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 3lvt_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXTKKKVYIV SHSHWXXXXY LPYEEHHXRL IELVDNVLDL IENDPEFNSF DATA SEQUENCE HLDGQTIILD DYLQVRPEKK EAVKKAVQAG KLKIGPFYIL QDDFLISSES DATA SEQUENCE NVRNXLIGHL ESQKWGAPVQ LGYFPDTXXX XGQTPQXXQL ANLPAAAFGX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX SEXWWEGPDQ TKIFGLLFAN WXXXXNEIPS DATA SEQUENCE EKEAAIAFWK QKLADVERYA STNHLLXXNG VDXXXXXXDI TKAIALANEL DATA SEQUENCE FPEYEFIHSN FDDYLKAVQE ELPXXLGTVT GEXXXXXXXX XXXLANTSSA DATA SEQUENCE RVYLKQWNTK VQRQLENIAE PLAAXAYEVT GDYPHDQFDY AWKTLLQNHP DATA SEQUENCE HDSICGCSVD EVHRGXXTRF ENANDVGHFL ADEATRQLTE AIDTSVFPEK DATA SEQUENCE AHPFVLFNTS GYQKTEVVTV EVEIERLPFY TGKPEDLYHE LKQKATPDYQ DATA SEQUENCE VIDPTGKAVA SRIVKEDVRF GYDLPXXXXX QPYXAKYLTV ELSVKEXAPF DATA SEQUENCE SWDSFALIQG ETKAFEGSLL AQPATNEXEN EFIQVKIENN GSLTIADKKT DATA SEQUENCE GETFSKLLTF EDTGDIGNEY IFFKPTEDQG ITTENVTAEI TNKENSPVKA DATA SEQUENCE SYQIKQTVXL PVAADERLEE EQKAVREFRE RLAQRSTTLR PFEITTXVTX DATA SEQUENCE IKESNQLFFE TTINNQIKDH RLRVLFPTGX VTETHEADSI YEVVTRPNXX DATA SEQUENCE XXXXXNPTNP QHQQAFVNVH DQNKGVTIFN EGLNEYEVLA DGTIAVTLIR DATA SEQUENCE CVGELGDWGY FATPEAQCQG EYTFKYGLSL HGKPEERFAT YQQAYSAQIP DATA SEQUENCE FTAATTARHE GKLAPNHVYL TTAEGPIGWT AVKRQEQTNH LVVRGFNLTA DATA SEQUENCE QNIPCELHKE TQPATCLTNV LEEPLTPAIE VDAPLRPFEI RTWRFE 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.574 177.584 -0.016 0.000 1.274 0 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 0 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 3 K N 2.392 122.689 120.400 -0.172 0.000 2.295 3 K HA 0.439 4.758 4.320 -0.001 0.000 0.270 3 K C -0.338 176.100 176.600 -0.271 0.000 1.011 3 K CA -0.382 55.766 56.287 -0.232 0.000 0.953 3 K CB 0.600 33.001 32.500 -0.164 0.000 0.956 3 K HN 0.559 nan 8.250 nan 0.000 0.477 4 K N 1.587 121.774 120.400 -0.354 0.000 2.371 4 K HA 0.317 4.637 4.320 -0.001 0.000 0.251 4 K C -0.730 175.719 176.600 -0.251 0.000 0.934 4 K CA -0.688 55.424 56.287 -0.292 0.000 0.798 4 K CB 1.829 34.183 32.500 -0.242 0.000 1.204 4 K HN 0.467 nan 8.250 nan 0.000 0.427 5 K N 1.372 121.618 120.400 -0.257 0.000 2.213 5 K HA 0.437 4.756 4.320 -0.001 0.000 0.270 5 K C -0.540 175.906 176.600 -0.256 0.000 1.002 5 K CA -0.703 55.405 56.287 -0.298 0.000 0.868 5 K CB 1.227 33.539 32.500 -0.313 0.000 1.093 5 K HN 0.385 nan 8.250 nan 0.000 0.454 6 V N 3.663 123.299 119.914 -0.464 0.000 2.328 6 V HA 0.333 4.452 4.120 -0.001 0.000 0.278 6 V C -0.950 174.924 176.094 -0.367 0.000 1.021 6 V CA -0.867 61.180 62.300 -0.422 0.000 0.838 6 V CB 0.078 31.356 31.823 -0.908 0.000 0.999 6 V HN 0.783 nan 8.190 nan 0.000 0.447 7 Y N 4.976 125.173 120.300 -0.172 0.000 2.477 7 Y HA 0.506 5.056 4.550 -0.001 0.000 0.349 7 Y C 0.222 175.978 175.900 -0.240 0.000 0.977 7 Y CA -0.633 57.359 58.100 -0.179 0.000 1.214 7 Y CB 0.767 39.128 38.460 -0.164 0.000 1.124 7 Y HN 0.477 nan 8.280 nan 0.000 0.521 8 I N 4.598 125.138 120.570 -0.049 0.000 2.322 8 I HA 0.134 4.303 4.170 -0.001 0.000 0.292 8 I C -0.450 175.583 176.117 -0.139 0.000 1.060 8 I CA -0.028 61.261 61.300 -0.019 0.000 1.309 8 I CB 0.481 38.567 38.000 0.143 0.000 1.415 8 I HN 0.293 nan 8.210 nan 0.000 0.492 9 V N 6.023 125.773 119.914 -0.274 0.000 2.347 9 V HA 0.340 4.459 4.120 -0.001 0.000 0.280 9 V C 0.213 176.140 176.094 -0.278 0.000 1.021 9 V CA -0.488 61.545 62.300 -0.445 0.000 0.847 9 V CB 1.450 32.785 31.823 -0.813 0.000 0.990 9 V HN 0.703 nan 8.190 nan 0.000 0.444 10 S N 5.368 120.945 115.700 -0.205 0.000 2.537 10 S HA 0.640 5.109 4.470 -0.001 0.000 0.275 10 S C -0.385 173.983 174.600 -0.387 0.000 1.272 10 S CA -0.433 57.744 58.200 -0.039 0.000 1.050 10 S CB 0.285 63.629 63.200 0.240 0.000 0.961 10 S HN 1.002 nan 8.310 nan 0.000 0.496 11 H N -0.804 117.927 119.070 -0.566 0.000 2.967 11 H HA 0.429 4.984 4.556 -0.001 0.000 0.318 11 H C -1.223 173.961 175.328 -0.240 0.000 1.375 11 H CA -1.106 54.498 56.048 -0.741 0.000 1.132 11 H CB 0.133 29.702 29.762 -0.322 0.000 1.848 11 H HN 0.466 nan 8.280 nan 0.000 0.524 12 S N -0.734 114.759 115.700 -0.345 0.000 2.528 12 S HA 0.572 5.041 4.470 -0.001 0.000 0.277 12 S C 0.235 174.490 174.600 -0.575 0.000 1.297 12 S CA 0.112 58.024 58.200 -0.481 0.000 1.052 12 S CB -0.217 62.451 63.200 -0.886 0.000 0.917 12 S HN 1.188 nan 8.310 nan 0.000 0.492 13 H N 1.527 120.355 119.070 -0.404 0.000 3.013 13 H HA 0.630 5.185 4.556 -0.001 0.000 0.326 13 H C -0.836 174.608 175.328 0.194 0.000 0.973 13 H CA -1.261 54.773 56.048 -0.022 0.000 1.369 13 H CB 0.589 30.327 29.762 -0.040 0.000 1.598 13 H HN 0.902 nan 8.280 nan 0.000 0.518 20 L N 2.784 123.934 121.223 -0.122 0.000 2.346 20 L HA 0.819 5.158 4.340 -0.001 0.000 0.274 20 L C -2.373 174.456 176.870 -0.068 0.000 1.007 20 L CA -2.692 52.106 54.840 -0.071 0.000 0.818 20 L CB 1.734 43.765 42.059 -0.046 0.000 1.284 20 L HN 0.230 nan 8.230 nan 0.000 0.424 21 P HA -0.055 nan 4.420 nan 0.000 0.268 21 P C 0.341 177.641 177.300 0.000 0.000 1.208 21 P CA -0.048 63.044 63.100 -0.014 0.000 0.777 21 P CB 0.473 32.176 31.700 0.005 0.000 0.875 22 Y N 2.430 122.697 120.300 -0.056 0.000 2.069 22 Y HA -0.289 4.260 4.550 -0.001 0.000 0.278 22 Y C 2.091 178.004 175.900 0.023 0.000 1.175 22 Y CA 2.153 60.227 58.100 -0.042 0.000 1.134 22 Y CB -0.369 38.058 38.460 -0.055 0.000 0.965 22 Y HN 0.310 nan 8.280 nan 0.000 0.498 23 E N 0.287 120.422 120.200 -0.108 0.000 2.106 23 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 23 E C 2.132 178.653 176.600 -0.132 0.000 0.984 23 E CA 1.417 57.741 56.400 -0.126 0.000 0.806 23 E CB -0.255 29.474 29.700 0.049 0.000 0.750 23 E HN 0.668 nan 8.360 nan 0.000 0.458 24 E N -0.615 119.531 120.200 -0.090 0.000 2.077 24 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 24 E C 2.278 178.832 176.600 -0.077 0.000 0.989 24 E CA 1.547 57.910 56.400 -0.061 0.000 0.800 24 E CB -0.191 29.491 29.700 -0.031 0.000 0.746 24 E HN 0.623 nan 8.360 nan 0.000 0.452 25 H N -0.699 118.294 119.070 -0.128 0.000 2.423 25 H HA -0.004 4.551 4.556 -0.001 0.000 0.297 25 H C 1.204 176.471 175.328 -0.102 0.000 1.075 25 H CA 1.394 57.363 56.048 -0.131 0.000 1.342 25 H CB -0.898 28.747 29.762 -0.195 0.000 1.395 25 H HN 0.292 nan 8.280 nan 0.000 0.530 29 L N 1.808 123.146 121.223 0.192 0.000 1.990 29 L HA -0.200 4.140 4.340 -0.001 0.000 0.213 29 L C 1.831 178.827 176.870 0.210 0.000 1.072 29 L CA 1.975 56.981 54.840 0.277 0.000 0.755 29 L CB -0.289 41.968 42.059 0.328 0.000 0.889 29 L HN 0.190 nan 8.230 nan 0.000 0.432 30 I N 0.504 121.197 120.570 0.206 0.000 2.145 30 I HA -0.333 3.836 4.170 -0.001 0.000 0.244 30 I C 2.589 178.825 176.117 0.197 0.000 1.075 30 I CA 1.547 63.003 61.300 0.260 0.000 1.332 30 I CB -1.384 36.655 38.000 0.066 0.000 1.033 30 I HN 0.405 nan 8.210 nan 0.000 0.410 31 E N 0.751 121.005 120.200 0.090 0.000 2.031 31 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 31 E C 2.620 179.211 176.600 -0.015 0.000 0.994 31 E CA 1.786 58.209 56.400 0.037 0.000 0.800 31 E CB -0.483 29.229 29.700 0.020 0.000 0.752 31 E HN 0.510 nan 8.360 nan 0.000 0.447 32 L N 1.253 122.463 121.223 -0.021 0.000 1.990 32 L HA -0.190 4.150 4.340 -0.001 0.000 0.213 32 L C 2.863 179.590 176.870 -0.239 0.000 1.072 32 L CA 2.307 57.072 54.840 -0.125 0.000 0.755 32 L CB -1.767 40.216 42.059 -0.127 0.000 0.889 32 L HN 0.058 nan 8.230 nan 0.000 0.432 33 V N -0.219 119.552 119.914 -0.239 0.000 2.515 33 V HA -0.262 3.857 4.120 -0.001 0.000 0.250 33 V C 2.498 178.345 176.094 -0.411 0.000 1.058 33 V CA 1.670 63.691 62.300 -0.466 0.000 1.064 33 V CB -0.997 30.349 31.823 -0.795 0.000 0.675 33 V HN 0.711 nan 8.190 nan 0.000 0.461 34 D N 0.892 121.197 120.400 -0.158 0.000 2.127 34 D HA -0.183 4.456 4.640 -0.001 0.000 0.190 34 D C 2.067 178.274 176.300 -0.154 0.000 1.000 34 D CA 1.690 55.652 54.000 -0.062 0.000 0.839 34 D CB -0.431 40.380 40.800 0.018 0.000 0.955 34 D HN 0.418 nan 8.370 nan 0.000 0.446 35 N N 0.447 119.038 118.700 -0.181 0.000 2.084 35 N HA -0.109 4.631 4.740 -0.001 0.000 0.190 35 N C 2.183 177.502 175.510 -0.318 0.000 1.030 35 N CA 0.514 53.435 53.050 -0.214 0.000 0.849 35 N CB -0.629 37.744 38.487 -0.190 0.000 1.012 35 N HN 0.090 nan 8.380 nan 0.000 0.423 36 V N 2.223 121.879 119.914 -0.430 0.000 2.252 36 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 36 V C 2.453 178.293 176.094 -0.422 0.000 1.056 36 V CA 1.431 63.387 62.300 -0.573 0.000 1.022 36 V CB -0.577 30.772 31.823 -0.790 0.000 0.641 36 V HN 0.265 nan 8.190 nan 0.000 0.445 37 L N -0.126 120.899 121.223 -0.330 0.000 2.201 37 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 37 L C 2.451 179.206 176.870 -0.193 0.000 1.105 37 L CA 1.578 56.281 54.840 -0.229 0.000 0.775 37 L CB -0.645 41.305 42.059 -0.182 0.000 0.913 37 L HN 0.457 nan 8.230 nan 0.000 0.440 38 D N 0.676 120.956 120.400 -0.201 0.000 2.117 38 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 38 D C 2.264 178.432 176.300 -0.220 0.000 0.987 38 D CA 1.327 55.226 54.000 -0.169 0.000 0.829 38 D CB 0.118 40.830 40.800 -0.146 0.000 0.961 38 D HN 0.266 nan 8.370 nan 0.000 0.460 39 L N 0.325 121.339 121.223 -0.349 0.000 2.027 39 L HA -0.106 4.233 4.340 -0.001 0.000 0.206 39 L C 2.845 179.440 176.870 -0.459 0.000 1.074 39 L CA 0.570 55.108 54.840 -0.503 0.000 0.745 39 L CB -0.341 41.172 42.059 -0.911 0.000 0.898 39 L HN 0.039 nan 8.230 nan 0.000 0.433 40 I N 0.448 120.778 120.570 -0.400 0.000 2.194 40 I HA -0.336 3.833 4.170 -0.001 0.000 0.246 40 I C 3.101 179.183 176.117 -0.058 0.000 1.093 40 I CA 1.935 63.158 61.300 -0.128 0.000 1.355 40 I CB -0.558 37.414 38.000 -0.047 0.000 1.046 40 I HN 0.407 nan 8.210 nan 0.000 0.413 41 E N 0.504 120.652 120.200 -0.086 0.000 2.076 41 E HA -0.202 4.148 4.350 -0.001 0.000 0.190 41 E C 1.865 178.440 176.600 -0.042 0.000 0.979 41 E CA 1.339 57.711 56.400 -0.046 0.000 0.807 41 E CB -0.797 28.876 29.700 -0.045 0.000 0.761 41 E HN 0.535 nan 8.360 nan 0.000 0.454 42 N N 0.042 118.699 118.700 -0.072 0.000 2.207 42 N HA -0.101 4.639 4.740 -0.001 0.000 0.182 42 N C -0.196 175.293 175.510 -0.037 0.000 1.020 42 N CA 0.934 53.949 53.050 -0.057 0.000 0.858 42 N CB 0.171 38.611 38.487 -0.079 0.000 0.991 42 N HN 0.307 nan 8.380 nan 0.000 0.427 43 D N 0.567 120.941 120.400 -0.043 0.000 2.412 43 D HA 0.184 4.823 4.640 -0.001 0.000 0.224 43 D C -1.872 174.477 176.300 0.082 0.000 1.093 43 D CA -2.099 51.908 54.000 0.011 0.000 0.850 43 D CB 1.660 42.461 40.800 0.001 0.000 1.046 43 D HN 0.114 nan 8.370 nan 0.000 0.507 44 P HA -0.023 nan 4.420 nan 0.000 0.225 44 P C 0.870 178.233 177.300 0.105 0.000 1.156 44 P CA 0.536 63.682 63.100 0.077 0.000 0.787 44 P CB 0.579 32.307 31.700 0.047 0.000 0.802 45 E N -0.975 119.289 120.200 0.107 0.000 2.358 45 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 45 E C 0.330 177.029 176.600 0.164 0.000 1.010 45 E CA 0.005 56.467 56.400 0.103 0.000 0.856 45 E CB -0.566 29.172 29.700 0.063 0.000 0.795 45 E HN 0.297 nan 8.360 nan 0.000 0.504 46 F N 2.884 122.868 119.950 0.056 0.000 2.519 46 F HA -0.028 4.498 4.527 -0.001 0.000 0.375 46 F C 1.498 177.426 175.800 0.214 0.000 1.084 46 F CA -0.060 58.018 58.000 0.131 0.000 1.147 46 F CB 0.292 39.337 39.000 0.075 0.000 1.088 46 F HN -0.139 nan 8.300 nan 0.000 0.555 47 N N 2.533 121.258 118.700 0.042 0.000 2.062 47 N HA -0.117 4.623 4.740 -0.001 0.000 0.191 47 N C -0.212 175.202 175.510 -0.159 0.000 1.042 47 N CA 1.533 54.526 53.050 -0.096 0.000 0.845 47 N CB 0.201 38.542 38.487 -0.244 0.000 1.024 47 N HN 0.639 nan 8.380 nan 0.000 0.424 48 S N -1.968 113.478 115.700 -0.423 0.000 2.627 48 S HA 0.438 4.908 4.470 -0.001 0.000 0.268 48 S C -1.387 173.174 174.600 -0.065 0.000 1.130 48 S CA -0.980 57.142 58.200 -0.129 0.000 0.819 48 S CB 1.220 64.360 63.200 -0.100 0.000 1.100 48 S HN 0.156 nan 8.310 nan 0.000 0.465 49 F N 0.928 120.922 119.950 0.074 0.000 2.546 49 F HA 0.676 5.203 4.527 -0.001 0.000 0.320 49 F C -0.508 175.310 175.800 0.030 0.000 1.076 49 F CA -0.461 57.601 58.000 0.103 0.000 0.928 49 F CB 1.878 41.006 39.000 0.213 0.000 1.189 49 F HN 0.941 nan 8.300 nan 0.000 0.465 50 H N 5.666 124.285 119.070 -0.751 0.000 2.597 50 H HA 0.336 4.891 4.556 -0.001 0.000 0.303 50 H C -0.176 174.922 175.328 -0.383 0.000 1.057 50 H CA -0.160 55.612 56.048 -0.459 0.000 1.261 50 H CB 0.857 30.376 29.762 -0.405 0.000 1.397 50 H HN 0.651 nan 8.280 nan 0.000 0.461 51 L N 4.530 125.485 121.223 -0.445 0.000 2.939 51 L HA 0.074 4.413 4.340 -0.001 0.000 0.239 51 L C 0.193 176.890 176.870 -0.289 0.000 1.325 51 L CA 0.643 55.353 54.840 -0.217 0.000 1.170 51 L CB -0.440 41.511 42.059 -0.182 0.000 1.538 51 L HN 0.927 nan 8.230 nan 0.000 0.452 52 D N 0.582 120.762 120.400 -0.366 0.000 3.077 52 D HA -0.196 4.443 4.640 -0.001 0.000 0.212 52 D C 1.082 177.378 176.300 -0.007 0.000 1.125 52 D CA 1.142 55.082 54.000 -0.100 0.000 0.970 52 D CB -0.919 39.953 40.800 0.121 0.000 1.110 52 D HN 0.711 nan 8.370 nan 0.000 0.419 53 G N -0.265 108.379 108.800 -0.261 0.000 2.159 53 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.256 53 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.256 53 G C -0.043 174.890 174.900 0.055 0.000 0.977 53 G CA 0.933 45.993 45.100 -0.067 0.000 0.652 53 G HN 0.924 nan 8.290 nan 0.000 0.531 54 Q N -1.308 118.510 119.800 0.030 0.000 2.268 54 Q HA 0.616 4.956 4.340 -0.001 0.000 0.266 54 Q C 0.632 176.635 176.000 0.006 0.000 1.006 54 Q CA -0.200 55.646 55.803 0.071 0.000 0.824 54 Q CB 1.164 29.963 28.738 0.101 0.000 1.306 54 Q HN 0.425 nan 8.270 nan 0.000 0.424 55 T N -0.492 114.084 114.554 0.037 0.000 3.023 55 T HA -0.038 4.312 4.350 -0.001 0.000 0.266 55 T C 1.553 176.287 174.700 0.057 0.000 1.093 55 T CA 0.778 62.917 62.100 0.065 0.000 1.129 55 T CB -0.155 68.847 68.868 0.222 0.000 0.899 55 T HN 0.674 nan 8.240 nan 0.000 0.491 56 I N 1.180 121.696 120.570 -0.091 0.000 2.423 56 I HA -0.125 4.044 4.170 -0.001 0.000 0.254 56 I C 2.064 178.190 176.117 0.016 0.000 1.151 56 I CA 1.237 62.449 61.300 -0.147 0.000 1.421 56 I CB -0.198 37.466 38.000 -0.559 0.000 1.079 56 I HN 0.251 nan 8.210 nan 0.000 0.431 57 I N 0.503 121.089 120.570 0.028 0.000 2.315 57 I HA -0.345 3.824 4.170 -0.001 0.000 0.251 57 I C 2.336 178.517 176.117 0.106 0.000 1.125 57 I CA 1.431 62.781 61.300 0.084 0.000 1.392 57 I CB -0.566 37.477 38.000 0.072 0.000 1.065 57 I HN 0.322 nan 8.210 nan 0.000 0.424 58 L N 0.202 121.462 121.223 0.063 0.000 2.044 58 L HA -0.181 4.158 4.340 -0.001 0.000 0.205 58 L C 2.294 179.320 176.870 0.259 0.000 1.075 58 L CA 1.173 56.071 54.840 0.097 0.000 0.747 58 L CB -0.768 41.220 42.059 -0.117 0.000 0.903 58 L HN 0.187 nan 8.230 nan 0.000 0.435 59 D N 0.460 121.024 120.400 0.273 0.000 2.126 59 D HA -0.225 4.414 4.640 -0.001 0.000 0.190 59 D C 1.775 178.214 176.300 0.232 0.000 1.001 59 D CA 1.618 55.780 54.000 0.269 0.000 0.841 59 D CB -0.357 40.602 40.800 0.265 0.000 0.949 59 D HN 0.295 nan 8.370 nan 0.000 0.446 60 D N -0.872 119.651 120.400 0.206 0.000 2.144 60 D HA -0.140 4.500 4.640 -0.001 0.000 0.200 60 D C 1.961 178.478 176.300 0.362 0.000 0.978 60 D CA 0.508 54.639 54.000 0.218 0.000 0.833 60 D CB -0.413 40.441 40.800 0.090 0.000 0.961 60 D HN 0.276 nan 8.370 nan 0.000 0.470 61 Y N 1.267 121.674 120.300 0.179 0.000 2.163 61 Y HA -0.081 4.468 4.550 -0.001 0.000 0.288 61 Y C 2.103 178.080 175.900 0.128 0.000 1.136 61 Y CA 1.293 59.475 58.100 0.137 0.000 1.147 61 Y CB -0.349 38.150 38.460 0.066 0.000 0.987 61 Y HN -0.103 nan 8.280 nan 0.000 0.509 62 L N 0.494 121.810 121.223 0.155 0.000 2.395 62 L HA -0.148 4.192 4.340 -0.001 0.000 0.218 62 L C 2.364 179.260 176.870 0.044 0.000 1.130 62 L CA 1.229 56.109 54.840 0.068 0.000 0.826 62 L CB -0.550 41.640 42.059 0.218 0.000 0.941 62 L HN 0.408 nan 8.230 nan 0.000 0.451 63 Q N -0.603 119.256 119.800 0.097 0.000 2.311 63 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 63 Q C 1.706 177.733 176.000 0.046 0.000 0.954 63 Q CA 1.156 57.019 55.803 0.099 0.000 0.885 63 Q CB -0.018 28.814 28.738 0.157 0.000 0.963 63 Q HN 0.302 nan 8.270 nan 0.000 0.471 64 V N -0.117 119.787 119.914 -0.017 0.000 2.825 64 V HA 0.112 4.231 4.120 -0.001 0.000 0.246 64 V C 1.240 177.230 176.094 -0.173 0.000 1.068 64 V CA 0.821 63.058 62.300 -0.104 0.000 1.088 64 V CB 0.062 31.778 31.823 -0.179 0.000 0.733 64 V HN 0.195 nan 8.190 nan 0.000 0.468 65 R N 0.000 120.334 120.500 -0.278 0.000 2.782 65 R HA 0.272 4.612 4.340 -0.001 0.000 0.293 65 R C -2.079 174.109 176.300 -0.187 0.000 1.333 65 R CA -1.200 54.708 56.100 -0.320 0.000 1.479 65 R CB 1.016 30.913 30.300 -0.672 0.000 1.306 65 R HN 0.272 nan 8.270 nan 0.000 0.654 66 P HA -0.100 nan 4.420 nan 0.000 0.220 66 P C 0.414 177.730 177.300 0.027 0.000 1.148 66 P CA 0.912 64.014 63.100 0.003 0.000 0.803 66 P CB 0.450 32.159 31.700 0.016 0.000 0.782 67 E N 0.019 120.222 120.200 0.006 0.000 2.267 67 E HA -0.150 4.200 4.350 -0.001 0.000 0.197 67 E C 1.377 178.007 176.600 0.050 0.000 0.998 67 E CA 0.983 57.397 56.400 0.023 0.000 0.830 67 E CB -0.526 29.179 29.700 0.008 0.000 0.751 67 E HN 0.200 nan 8.360 nan 0.000 0.491 68 K N -0.145 120.295 120.400 0.067 0.000 2.458 68 K HA 0.097 4.417 4.320 -0.001 0.000 0.194 68 K C 1.834 178.532 176.600 0.164 0.000 1.024 68 K CA 0.640 57.001 56.287 0.125 0.000 1.108 68 K CB -0.215 32.410 32.500 0.209 0.000 0.846 68 K HN 0.129 nan 8.250 nan 0.000 0.518 69 K N 1.718 122.216 120.400 0.163 0.000 2.044 69 K HA -0.255 4.064 4.320 -0.001 0.000 0.210 69 K C 2.330 179.054 176.600 0.206 0.000 1.049 69 K CA 2.190 58.613 56.287 0.226 0.000 0.927 69 K CB -1.392 31.227 32.500 0.198 0.000 0.713 69 K HN 0.437 nan 8.250 nan 0.000 0.443 70 E N 0.402 120.685 120.200 0.137 0.000 2.049 70 E HA 0.022 4.371 4.350 -0.001 0.000 0.198 70 E C 2.547 179.211 176.600 0.106 0.000 1.007 70 E CA 2.199 58.666 56.400 0.112 0.000 0.809 70 E CB -1.170 28.575 29.700 0.075 0.000 0.749 70 E HN 0.997 nan 8.360 nan 0.000 0.450 71 A N 0.069 122.943 122.820 0.090 0.000 1.978 71 A HA 0.045 4.365 4.320 -0.001 0.000 0.220 71 A C 2.712 180.329 177.584 0.055 0.000 1.170 71 A CA 1.812 53.888 52.037 0.064 0.000 0.636 71 A CB -0.426 18.606 19.000 0.054 0.000 0.810 71 A HN 0.451 nan 8.150 nan 0.000 0.448 72 V N -0.018 119.947 119.914 0.084 0.000 2.283 72 V HA -0.162 3.957 4.120 -0.001 0.000 0.243 72 V C 3.174 179.302 176.094 0.057 0.000 1.039 72 V CA 2.486 64.797 62.300 0.019 0.000 1.016 72 V CB -1.043 30.784 31.823 0.008 0.000 0.650 72 V HN 0.702 nan 8.190 nan 0.000 0.449 73 K N 0.622 121.163 120.400 0.236 0.000 2.044 73 K HA -0.285 4.034 4.320 -0.001 0.000 0.210 73 K C 2.334 179.028 176.600 0.158 0.000 1.049 73 K CA 2.650 59.118 56.287 0.303 0.000 0.927 73 K CB -1.329 31.347 32.500 0.293 0.000 0.713 73 K HN 0.602 nan 8.250 nan 0.000 0.443 74 K N 0.398 120.863 120.400 0.108 0.000 1.991 74 K HA 0.188 4.508 4.320 -0.001 0.000 0.212 74 K C 2.732 179.365 176.600 0.055 0.000 1.049 74 K CA 2.168 58.498 56.287 0.072 0.000 0.932 74 K CB -1.439 31.095 32.500 0.057 0.000 0.717 74 K HN 0.907 nan 8.250 nan 0.000 0.441 75 A N 0.501 123.342 122.820 0.034 0.000 1.933 75 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 75 A C 2.605 180.193 177.584 0.008 0.000 1.175 75 A CA 1.819 53.867 52.037 0.019 0.000 0.628 75 A CB -0.508 18.489 19.000 -0.004 0.000 0.814 75 A HN 0.352 nan 8.150 nan 0.000 0.444 76 V N -0.380 119.527 119.914 -0.012 0.000 2.343 76 V HA -0.310 3.809 4.120 -0.001 0.000 0.247 76 V C 2.608 178.725 176.094 0.039 0.000 1.051 76 V CA 2.276 64.567 62.300 -0.015 0.000 1.036 76 V CB -0.893 30.902 31.823 -0.046 0.000 0.654 76 V HN 0.635 nan 8.190 nan 0.000 0.451 77 Q N -0.215 119.626 119.800 0.069 0.000 2.119 77 Q HA -0.036 4.304 4.340 -0.001 0.000 0.201 77 Q C 2.156 178.186 176.000 0.049 0.000 0.972 77 Q CA 1.520 57.364 55.803 0.068 0.000 0.847 77 Q CB -0.346 28.439 28.738 0.080 0.000 0.903 77 Q HN 0.659 nan 8.270 nan 0.000 0.433 78 A N -0.108 122.740 122.820 0.045 0.000 2.235 78 A HA 0.221 4.541 4.320 -0.001 0.000 0.208 78 A C 1.418 179.024 177.584 0.037 0.000 1.172 78 A CA 0.724 52.786 52.037 0.041 0.000 0.786 78 A CB -0.633 18.394 19.000 0.045 0.000 0.804 78 A HN 0.460 nan 8.150 nan 0.000 0.479 79 G N -2.435 106.383 108.800 0.031 0.000 2.179 79 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.257 79 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.257 79 G C 0.892 175.808 174.900 0.027 0.000 1.010 79 G CA 1.299 46.413 45.100 0.023 0.000 0.736 79 G HN 1.215 nan 8.290 nan 0.000 0.513 80 K N -0.933 119.495 120.400 0.046 0.000 2.314 80 K HA 0.697 5.016 4.320 -0.001 0.000 0.198 80 K C 1.008 177.671 176.600 0.106 0.000 1.045 80 K CA 1.121 57.461 56.287 0.088 0.000 0.988 80 K CB 0.405 32.977 32.500 0.120 0.000 0.783 80 K HN 0.641 nan 8.250 nan 0.000 0.484 81 L N 1.593 122.841 121.223 0.042 0.000 2.333 81 L HA 0.530 4.870 4.340 -0.001 0.000 0.280 81 L C -0.328 176.509 176.870 -0.055 0.000 1.004 81 L CA -0.949 53.897 54.840 0.010 0.000 0.820 81 L CB 2.104 44.124 42.059 -0.065 0.000 1.247 81 L HN 0.268 nan 8.230 nan 0.000 0.416 82 K N 5.694 126.039 120.400 -0.092 0.000 2.367 82 K HA 0.666 4.985 4.320 -0.001 0.000 0.263 82 K C -0.905 175.485 176.600 -0.350 0.000 1.000 82 K CA -0.415 55.776 56.287 -0.161 0.000 0.891 82 K CB 1.127 33.608 32.500 -0.030 0.000 1.117 82 K HN 0.664 nan 8.250 nan 0.000 0.443 83 I N -1.299 119.112 120.570 -0.266 0.000 2.740 83 I HA 0.915 5.084 4.170 -0.001 0.000 0.303 83 I C 0.487 176.477 176.117 -0.212 0.000 1.044 83 I CA -0.175 60.960 61.300 -0.274 0.000 1.064 83 I CB 2.225 40.066 38.000 -0.266 0.000 1.249 83 I HN 1.115 nan 8.210 nan 0.000 0.433 84 G N 4.792 113.479 108.800 -0.189 0.000 2.627 84 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.214 84 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.214 84 G C -2.681 172.060 174.900 -0.265 0.000 1.331 84 G CA -0.173 44.839 45.100 -0.147 0.000 0.891 84 G HN 0.614 nan 8.290 nan 0.000 0.539 85 P HA 0.299 nan 4.420 nan 0.000 0.261 85 P C 0.306 177.468 177.300 -0.230 0.000 1.268 85 P CA 0.188 63.101 63.100 -0.312 0.000 0.833 85 P CB 0.112 31.594 31.700 -0.363 0.000 1.231 86 F N -1.179 118.799 119.950 0.046 0.000 2.370 86 F HA 0.213 4.740 4.527 -0.001 0.000 0.319 86 F C 2.113 178.003 175.800 0.150 0.000 1.129 86 F CA -0.860 57.198 58.000 0.097 0.000 1.109 86 F CB -0.356 38.682 39.000 0.064 0.000 1.262 86 F HN -0.220 nan 8.300 nan 0.000 0.534 87 Y N 1.216 121.691 120.300 0.292 0.000 2.184 87 Y HA 0.245 4.794 4.550 -0.001 0.000 0.290 87 Y C 0.302 176.319 175.900 0.195 0.000 1.129 87 Y CA 0.994 59.217 58.100 0.205 0.000 1.144 87 Y CB 0.161 38.726 38.460 0.175 0.000 0.995 87 Y HN 0.359 nan 8.280 nan 0.000 0.513 88 I N 0.385 121.018 120.570 0.103 0.000 2.802 88 I HA 0.239 4.409 4.170 -0.001 0.000 0.298 88 I C -1.403 174.769 176.117 0.092 0.000 1.176 88 I CA -1.155 60.140 61.300 -0.008 0.000 1.025 88 I CB 1.940 39.892 38.000 -0.080 0.000 1.243 88 I HN -0.157 nan 8.210 nan 0.000 0.424 89 L N 6.171 127.445 121.223 0.084 0.000 2.418 89 L HA 0.258 4.598 4.340 -0.001 0.000 0.274 89 L C -0.228 176.664 176.870 0.037 0.000 1.135 89 L CA 0.154 55.029 54.840 0.058 0.000 0.870 89 L CB 0.396 42.527 42.059 0.119 0.000 1.154 89 L HN 0.545 nan 8.230 nan 0.000 0.462 90 Q N 2.392 122.183 119.800 -0.015 0.000 2.282 90 Q HA 0.124 4.464 4.340 -0.001 0.000 0.260 90 Q C -0.490 175.524 176.000 0.022 0.000 0.964 90 Q CA -0.703 55.120 55.803 0.034 0.000 0.880 90 Q CB 2.278 31.033 28.738 0.029 0.000 1.286 90 Q HN 0.426 nan 8.270 nan 0.000 0.445 91 D N 2.412 122.822 120.400 0.018 0.000 2.441 91 D HA -0.013 4.626 4.640 -0.001 0.000 0.243 91 D C 0.552 176.818 176.300 -0.056 0.000 1.257 91 D CA 0.546 54.538 54.000 -0.013 0.000 1.027 91 D CB 0.291 41.077 40.800 -0.022 0.000 1.084 91 D HN 0.819 nan 8.370 nan 0.000 0.514 92 D N 2.983 123.364 120.400 -0.032 0.000 2.092 92 D HA -0.263 4.376 4.640 -0.001 0.000 0.193 92 D C 2.100 178.347 176.300 -0.088 0.000 0.994 92 D CA 2.098 56.076 54.000 -0.037 0.000 0.828 92 D CB -1.230 39.574 40.800 0.006 0.000 0.963 92 D HN 0.440 nan 8.370 nan 0.000 0.450 93 F N 0.529 120.394 119.950 -0.141 0.000 2.115 93 F HA 0.066 4.593 4.527 -0.001 0.000 0.300 93 F C 2.730 178.261 175.800 -0.449 0.000 1.092 93 F CA 1.931 59.757 58.000 -0.289 0.000 1.245 93 F CB -1.115 37.647 39.000 -0.395 0.000 0.995 93 F HN 0.325 nan 8.300 nan 0.000 0.481 94 L N -0.227 120.788 121.223 -0.347 0.000 2.240 94 L HA 0.115 4.455 4.340 -0.001 0.000 0.211 94 L C 1.377 178.226 176.870 -0.035 0.000 1.106 94 L CA 0.706 55.425 54.840 -0.201 0.000 0.793 94 L CB -0.387 41.592 42.059 -0.134 0.000 0.927 94 L HN 0.645 nan 8.230 nan 0.000 0.446 95 I N -3.895 116.615 120.570 -0.100 0.000 3.062 95 I HA 0.368 4.538 4.170 -0.001 0.000 0.318 95 I C 0.867 176.996 176.117 0.020 0.000 1.026 95 I CA -0.790 60.455 61.300 -0.091 0.000 1.096 95 I CB 1.129 38.961 38.000 -0.281 0.000 1.348 95 I HN -0.097 nan 8.210 nan 0.000 0.543 96 S N 2.135 117.887 115.700 0.085 0.000 2.589 96 S HA 0.130 4.599 4.470 -0.001 0.000 0.265 96 S C 1.012 175.603 174.600 -0.015 0.000 1.342 96 S CA 0.023 58.259 58.200 0.060 0.000 1.005 96 S CB 1.110 64.388 63.200 0.129 0.000 0.909 96 S HN 0.752 nan 8.310 nan 0.000 0.555 97 S N 1.346 116.931 115.700 -0.192 0.000 2.365 97 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 97 S C 1.902 176.403 174.600 -0.165 0.000 1.039 97 S CA 1.484 59.394 58.200 -0.482 0.000 1.033 97 S CB -0.609 61.818 63.200 -1.288 0.000 0.887 97 S HN 0.777 nan 8.310 nan 0.000 0.447 98 E N 1.303 121.490 120.200 -0.022 0.000 2.072 98 E HA -0.023 4.327 4.350 -0.001 0.000 0.191 98 E C 2.424 179.080 176.600 0.093 0.000 0.985 98 E CA 0.770 57.240 56.400 0.115 0.000 0.801 98 E CB -0.592 29.212 29.700 0.173 0.000 0.750 98 E HN 0.402 nan 8.360 nan 0.000 0.452 99 S N 1.726 117.566 115.700 0.234 0.000 2.372 99 S HA -0.178 4.291 4.470 -0.001 0.000 0.227 99 S C 1.682 176.409 174.600 0.212 0.000 1.044 99 S CA 1.181 59.585 58.200 0.340 0.000 1.050 99 S CB -0.340 63.209 63.200 0.581 0.000 0.901 99 S HN 0.306 nan 8.310 nan 0.000 0.447 100 N N 1.021 119.819 118.700 0.162 0.000 2.043 100 N HA -0.102 4.637 4.740 -0.001 0.000 0.193 100 N C 1.851 177.437 175.510 0.127 0.000 1.037 100 N CA 1.343 54.469 53.050 0.127 0.000 0.851 100 N CB -0.665 37.889 38.487 0.111 0.000 1.027 100 N HN 0.209 nan 8.380 nan 0.000 0.422 101 V N 2.416 122.411 119.914 0.134 0.000 2.255 101 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 101 V C 2.365 178.469 176.094 0.017 0.000 1.051 101 V CA 1.569 63.924 62.300 0.091 0.000 1.018 101 V CB -0.348 31.540 31.823 0.109 0.000 0.641 101 V HN 0.246 nan 8.190 nan 0.000 0.445 102 R N 0.282 120.726 120.500 -0.092 0.000 2.152 102 R HA -0.036 4.303 4.340 -0.001 0.000 0.232 102 R C 1.268 177.544 176.300 -0.039 0.000 1.117 102 R CA 0.352 56.313 56.100 -0.231 0.000 0.981 102 R CB -1.432 28.454 30.300 -0.690 0.000 0.870 102 R HN 0.597 nan 8.270 nan 0.000 0.451 106 I N 1.195 121.812 120.570 0.079 0.000 2.127 106 I HA -0.207 3.962 4.170 -0.001 0.000 0.241 106 I C 2.421 178.644 176.117 0.175 0.000 1.075 106 I CA 2.071 63.416 61.300 0.075 0.000 1.334 106 I CB -0.661 37.306 38.000 -0.055 0.000 1.040 106 I HN 0.490 nan 8.210 nan 0.000 0.405 107 G N -0.183 108.771 108.800 0.256 0.000 2.529 107 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.219 107 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.219 107 G C 1.477 176.492 174.900 0.192 0.000 1.177 107 G CA 1.726 46.985 45.100 0.265 0.000 0.773 107 G HN 0.489 nan 8.290 nan 0.000 0.573 108 H N 0.563 119.686 119.070 0.088 0.000 2.267 108 H HA 0.013 4.569 4.556 -0.001 0.000 0.297 108 H C 2.582 177.950 175.328 0.066 0.000 1.080 108 H CA 1.889 57.970 56.048 0.055 0.000 1.278 108 H CB -0.448 29.335 29.762 0.034 0.000 1.365 108 H HN 0.262 nan 8.280 nan 0.000 0.489 109 L N 0.208 121.444 121.223 0.023 0.000 2.079 109 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 109 L C 2.556 179.408 176.870 -0.030 0.000 1.081 109 L CA 1.312 56.123 54.840 -0.048 0.000 0.752 109 L CB -0.344 41.746 42.059 0.052 0.000 0.896 109 L HN 0.434 nan 8.230 nan 0.000 0.433 110 E N -0.356 119.886 120.200 0.069 0.000 2.106 110 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 110 E C 2.379 179.120 176.600 0.236 0.000 0.984 110 E CA 1.147 57.641 56.400 0.157 0.000 0.806 110 E CB -0.063 29.808 29.700 0.285 0.000 0.750 110 E HN 0.379 nan 8.360 nan 0.000 0.458 111 S N 1.339 117.130 115.700 0.151 0.000 2.383 111 S HA -0.137 4.332 4.470 -0.001 0.000 0.227 111 S C 1.869 176.511 174.600 0.070 0.000 1.026 111 S CA 0.845 59.131 58.200 0.143 0.000 0.981 111 S CB -0.079 63.140 63.200 0.032 0.000 0.818 111 S HN 0.298 nan 8.310 nan 0.000 0.472 112 Q N 1.103 120.851 119.800 -0.086 0.000 2.124 112 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 112 Q C 2.640 178.606 176.000 -0.056 0.000 0.977 112 Q CA 1.715 57.459 55.803 -0.099 0.000 0.850 112 Q CB -0.648 27.979 28.738 -0.184 0.000 0.901 112 Q HN 0.699 nan 8.270 nan 0.000 0.429 113 K N 0.632 120.978 120.400 -0.090 0.000 2.152 113 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 113 K C 1.425 177.866 176.600 -0.265 0.000 1.048 113 K CA 1.422 57.582 56.287 -0.211 0.000 0.933 113 K CB -1.127 31.185 32.500 -0.313 0.000 0.721 113 K HN 0.430 nan 8.250 nan 0.000 0.447 114 W N -0.870 120.425 121.300 -0.008 0.000 3.077 114 W HA 0.317 4.976 4.660 -0.001 0.000 0.266 114 W C 1.623 178.138 176.519 -0.007 0.000 1.300 114 W CA 0.382 57.727 57.345 0.001 0.000 1.586 114 W CB 0.384 29.847 29.460 0.005 0.000 1.103 114 W HN 0.520 nan 8.180 nan 0.000 0.652 115 G N 0.563 109.455 108.800 0.152 0.000 2.148 115 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.254 115 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.254 115 G C 0.451 175.407 174.900 0.094 0.000 0.981 115 G CA -0.183 44.972 45.100 0.093 0.000 0.670 115 G HN 0.499 nan 8.290 nan 0.000 0.528 116 A N 1.083 123.979 122.820 0.126 0.000 2.511 116 A HA 0.611 4.931 4.320 -0.001 0.000 0.242 116 A C -0.677 176.928 177.584 0.034 0.000 1.069 116 A CA -0.097 51.983 52.037 0.071 0.000 0.763 116 A CB 0.341 19.378 19.000 0.062 0.000 1.001 116 A HN 0.357 nan 8.150 nan 0.000 0.498 117 P HA 0.305 nan 4.420 nan 0.000 0.278 117 P C -0.506 176.801 177.300 0.011 0.000 1.258 117 P CA -0.437 62.675 63.100 0.019 0.000 0.811 117 P CB 0.689 32.401 31.700 0.021 0.000 1.063 118 V N 2.435 122.361 119.914 0.020 0.000 2.529 118 V HA 0.017 4.136 4.120 -0.001 0.000 0.292 118 V C 0.945 177.033 176.094 -0.010 0.000 1.028 118 V CA 0.146 62.452 62.300 0.011 0.000 1.074 118 V CB -0.302 31.544 31.823 0.039 0.000 0.958 118 V HN 0.482 nan 8.190 nan 0.000 0.481 119 Q N 3.025 122.796 119.800 -0.048 0.000 2.212 119 Q HA 0.480 4.819 4.340 -0.001 0.000 0.238 119 Q C -0.242 175.701 176.000 -0.096 0.000 0.955 119 Q CA -0.908 54.864 55.803 -0.051 0.000 0.906 119 Q CB 1.447 30.143 28.738 -0.069 0.000 1.215 119 Q HN 0.643 nan 8.270 nan 0.000 0.478 120 L N -1.203 119.966 121.223 -0.090 0.000 2.492 120 L HA 0.335 4.675 4.340 -0.001 0.000 0.280 120 L C 0.795 177.530 176.870 -0.226 0.000 1.240 120 L CA -0.124 54.643 54.840 -0.121 0.000 0.831 120 L CB -0.998 40.972 42.059 -0.149 0.000 1.100 120 L HN 0.554 nan 8.230 nan 0.000 0.505 121 G N 0.209 108.890 108.800 -0.199 0.000 2.432 121 G HA2 0.263 4.222 3.960 -0.001 0.000 0.239 121 G HA3 0.263 4.222 3.960 -0.001 0.000 0.239 121 G C -1.273 173.412 174.900 -0.358 0.000 1.291 121 G CA -0.099 44.798 45.100 -0.339 0.000 0.863 121 G HN 0.786 nan 8.290 nan 0.000 0.560 122 Y N 1.667 121.555 120.300 -0.686 0.000 2.338 122 Y HA 0.597 5.147 4.550 -0.001 0.000 0.333 122 Y C -1.307 174.192 175.900 -0.668 0.000 0.968 122 Y CA -1.971 55.824 58.100 -0.507 0.000 1.123 122 Y CB 1.583 39.908 38.460 -0.224 0.000 1.165 122 Y HN 0.395 nan 8.280 nan 0.000 0.452 123 F N 8.081 127.780 119.950 -0.418 0.000 2.769 123 F HA 0.372 4.899 4.527 -0.001 0.000 0.358 123 F C -1.969 173.626 175.800 -0.341 0.000 1.285 123 F CA -1.820 55.980 58.000 -0.333 0.000 1.199 123 F CB 1.092 39.856 39.000 -0.394 0.000 1.558 123 F HN 0.360 nan 8.300 nan 0.000 0.583 124 P HA -0.014 nan 4.420 nan 0.000 0.225 124 P C 0.820 178.136 177.300 0.026 0.000 1.156 124 P CA 1.820 64.881 63.100 -0.065 0.000 0.787 124 P CB 0.385 32.097 31.700 0.019 0.000 0.802 125 D N -1.218 119.211 120.400 0.049 0.000 2.929 125 D HA 0.190 4.829 4.640 -0.001 0.000 0.291 125 D C 0.849 177.178 176.300 0.049 0.000 1.086 125 D CA 1.035 55.067 54.000 0.054 0.000 0.971 125 D CB 0.349 41.192 40.800 0.071 0.000 1.275 125 D HN 0.117 nan 8.370 nan 0.000 0.469 132 Q N 1.230 120.957 119.800 -0.121 0.000 2.365 132 Q HA 0.086 4.425 4.340 -0.001 0.000 0.203 132 Q C 2.060 177.939 176.000 -0.202 0.000 0.929 132 Q CA 0.792 56.508 55.803 -0.145 0.000 0.948 132 Q CB 0.184 28.890 28.738 -0.052 0.000 1.043 132 Q HN 0.460 nan 8.270 nan 0.000 0.505 133 T N 1.614 115.984 114.554 -0.307 0.000 2.665 133 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 133 T C -0.797 173.696 174.700 -0.346 0.000 1.035 133 T CA 1.368 63.271 62.100 -0.329 0.000 1.151 133 T CB -1.171 67.393 68.868 -0.507 0.000 0.862 133 T HN 0.280 nan 8.240 nan 0.000 0.438 134 P HA -0.108 nan 4.420 nan 0.000 0.214 134 P C 0.993 178.192 177.300 -0.168 0.000 1.169 134 P CA 1.057 63.950 63.100 -0.345 0.000 0.908 134 P CB -0.100 31.345 31.700 -0.426 0.000 0.791 139 L N 0.613 121.802 121.223 -0.057 0.000 2.622 139 L HA 0.229 4.568 4.340 -0.001 0.000 0.233 139 L C 1.130 177.954 176.870 -0.076 0.000 1.156 139 L CA 1.144 55.935 54.840 -0.082 0.000 0.866 139 L CB -0.060 41.931 42.059 -0.114 0.000 0.980 139 L HN 0.256 nan 8.230 nan 0.000 0.448 140 A N -1.274 121.519 122.820 -0.045 0.000 2.571 140 A HA 0.177 4.496 4.320 -0.001 0.000 0.274 140 A C 0.563 178.120 177.584 -0.044 0.000 1.196 140 A CA -0.357 51.649 52.037 -0.052 0.000 0.957 140 A CB 0.133 19.138 19.000 0.009 0.000 1.150 140 A HN 0.409 nan 8.150 nan 0.000 0.539 141 N N -0.258 118.423 118.700 -0.031 0.000 2.735 141 N HA -0.140 4.599 4.740 -0.001 0.000 0.248 141 N C -0.607 174.912 175.510 0.015 0.000 1.083 141 N CA 1.099 54.143 53.050 -0.009 0.000 0.703 141 N CB -1.775 36.703 38.487 -0.015 0.000 1.005 141 N HN 0.566 nan 8.380 nan 0.000 0.550 142 L N -0.197 121.043 121.223 0.028 0.000 2.435 142 L HA 0.323 4.663 4.340 -0.001 0.000 0.253 142 L C -1.474 175.451 176.870 0.091 0.000 1.087 142 L CA -1.477 53.388 54.840 0.043 0.000 0.950 142 L CB 1.135 43.210 42.059 0.027 0.000 1.304 142 L HN -0.202 nan 8.230 nan 0.000 0.453 143 P HA 0.067 nan 4.420 nan 0.000 0.241 143 P C 0.274 177.718 177.300 0.240 0.000 1.191 143 P CA 0.391 63.584 63.100 0.156 0.000 0.771 143 P CB 0.544 32.324 31.700 0.134 0.000 0.929 144 A N -0.421 122.527 122.820 0.212 0.000 2.401 144 A HA 0.807 5.126 4.320 -0.001 0.000 0.310 144 A C -0.920 176.770 177.584 0.178 0.000 1.075 144 A CA -0.526 51.666 52.037 0.258 0.000 0.746 144 A CB 1.674 20.864 19.000 0.316 0.000 1.277 144 A HN 0.092 nan 8.150 nan 0.000 0.425 145 A N 0.220 123.162 122.820 0.203 0.000 2.539 145 A HA 0.898 5.217 4.320 -0.001 0.000 0.296 145 A C -0.392 177.238 177.584 0.076 0.000 1.073 145 A CA -0.005 52.120 52.037 0.146 0.000 0.700 145 A CB 1.459 20.668 19.000 0.348 0.000 1.296 145 A HN 2.398 nan 8.150 nan 0.000 0.405 146 A N 0.768 123.529 122.820 -0.099 0.000 2.331 146 A HA 0.814 5.134 4.320 -0.001 0.000 0.320 146 A C -1.179 176.356 177.584 -0.082 0.000 1.138 146 A CA -0.336 51.739 52.037 0.062 0.000 0.790 146 A CB 0.248 19.241 19.000 -0.011 0.000 1.206 146 A HN 0.717 nan 8.150 nan 0.000 0.470 147 F N 1.503 121.486 119.950 0.056 0.000 2.495 147 F HA 0.581 5.107 4.527 -0.001 0.000 0.327 147 F C 1.146 176.450 175.800 -0.827 0.000 1.103 147 F CA -0.353 57.536 58.000 -0.186 0.000 0.949 147 F CB 2.188 41.081 39.000 -0.180 0.000 1.142 147 F HN 0.748 nan 8.300 nan 0.000 0.457 174 W N 2.426 123.858 121.300 0.219 0.000 2.647 174 W HA 0.694 5.353 4.660 -0.001 0.000 0.328 174 W C -0.976 175.600 176.519 0.096 0.000 1.018 174 W CA -0.925 56.459 57.345 0.066 0.000 1.245 174 W CB 0.880 30.311 29.460 -0.048 0.000 1.356 174 W HN 0.537 nan 8.180 nan 0.000 0.443 175 E N 2.728 123.129 120.200 0.335 0.000 2.166 175 E HA 0.681 5.031 4.350 -0.001 0.000 0.275 175 E C 0.141 176.720 176.600 -0.035 0.000 0.941 175 E CA -0.330 56.118 56.400 0.080 0.000 0.784 175 E CB 1.299 31.051 29.700 0.088 0.000 1.115 175 E HN 0.782 nan 8.360 nan 0.000 0.399 176 G N 1.202 109.899 108.800 -0.172 0.000 2.547 176 G HA2 0.489 4.448 3.960 -0.001 0.000 0.291 176 G HA3 0.489 4.448 3.960 -0.001 0.000 0.291 176 G C -1.188 173.638 174.900 -0.123 0.000 1.211 176 G CA -0.485 44.498 45.100 -0.194 0.000 0.950 176 G HN 0.464 nan 8.290 nan 0.000 0.504 177 P HA -0.058 nan 4.420 nan 0.000 0.218 177 P C 1.063 178.309 177.300 -0.090 0.000 1.146 177 P CA 1.937 64.829 63.100 -0.346 0.000 0.813 177 P CB -0.147 31.045 31.700 -0.845 0.000 0.778 178 D N -1.726 118.689 120.400 0.025 0.000 2.336 178 D HA 0.246 4.885 4.640 -0.001 0.000 0.229 178 D C 1.310 177.655 176.300 0.075 0.000 1.061 178 D CA 1.009 55.103 54.000 0.156 0.000 0.875 178 D CB -0.889 39.973 40.800 0.104 0.000 0.904 178 D HN 0.293 nan 8.370 nan 0.000 0.525 179 Q N -1.244 118.576 119.800 0.034 0.000 2.489 179 Q HA -0.154 4.185 4.340 -0.001 0.000 0.259 179 Q C 0.896 176.885 176.000 -0.018 0.000 0.934 179 Q CA 1.497 57.306 55.803 0.010 0.000 1.131 179 Q CB -3.114 25.637 28.738 0.022 0.000 1.472 179 Q HN 1.103 nan 8.270 nan 0.000 0.560 180 T N -0.812 113.723 114.554 -0.032 0.000 2.856 180 T HA 0.727 5.076 4.350 -0.001 0.000 0.292 180 T C 0.280 174.951 174.700 -0.047 0.000 0.980 180 T CA 0.213 62.285 62.100 -0.046 0.000 1.091 180 T CB 1.615 70.447 68.868 -0.061 0.000 0.936 180 T HN 1.391 nan 8.240 nan 0.000 0.503 181 K N 1.833 122.222 120.400 -0.019 0.000 2.316 181 K HA 0.793 5.113 4.320 -0.001 0.000 0.251 181 K C -1.209 175.488 176.600 0.162 0.000 0.934 181 K CA -0.872 55.443 56.287 0.048 0.000 0.802 181 K CB 1.700 34.186 32.500 -0.023 0.000 1.171 181 K HN 0.692 nan 8.250 nan 0.000 0.426 182 I N 1.301 122.048 120.570 0.295 0.000 2.608 182 I HA 0.574 4.744 4.170 -0.001 0.000 0.295 182 I C -0.803 175.676 176.117 0.605 0.000 1.049 182 I CA -1.147 60.388 61.300 0.393 0.000 1.063 182 I CB 1.805 39.944 38.000 0.232 0.000 1.248 182 I HN 0.722 nan 8.210 nan 0.000 0.424 183 F N 5.478 125.663 119.950 0.392 0.000 2.399 183 F HA 0.711 5.237 4.527 -0.001 0.000 0.342 183 F C 0.357 176.233 175.800 0.126 0.000 1.106 183 F CA -0.341 57.671 58.000 0.021 0.000 1.196 183 F CB 0.821 39.705 39.000 -0.192 0.000 1.163 183 F HN 0.377 nan 8.300 nan 0.000 0.547 184 G N 6.337 114.644 108.800 -0.822 0.000 2.638 184 G HA2 0.583 4.543 3.960 -0.001 0.000 0.302 184 G HA3 0.583 4.543 3.960 -0.001 0.000 0.302 184 G C -2.095 172.455 174.900 -0.582 0.000 1.365 184 G CA -0.865 44.013 45.100 -0.369 0.000 0.987 184 G HN 0.734 nan 8.290 nan 0.000 0.495 185 L N 1.533 122.678 121.223 -0.131 0.000 2.296 185 L HA 0.459 4.798 4.340 -0.001 0.000 0.286 185 L C -0.237 176.722 176.870 0.149 0.000 1.023 185 L CA -0.722 54.120 54.840 0.004 0.000 0.812 185 L CB 2.056 44.239 42.059 0.207 0.000 1.223 185 L HN 0.277 nan 8.230 nan 0.000 0.421 186 L N 5.100 126.341 121.223 0.029 0.000 2.302 186 L HA 0.330 4.670 4.340 -0.001 0.000 0.285 186 L C -0.259 176.632 176.870 0.035 0.000 1.090 186 L CA -0.214 54.608 54.840 -0.030 0.000 0.866 186 L CB -0.104 41.895 42.059 -0.100 0.000 1.244 186 L HN 0.418 nan 8.230 nan 0.000 0.435 187 F N 2.454 122.445 119.950 0.068 0.000 2.440 187 F HA 0.927 5.454 4.527 -0.001 0.000 0.328 187 F C -0.128 175.697 175.800 0.042 0.000 1.070 187 F CA -0.844 57.183 58.000 0.046 0.000 1.011 187 F CB 1.279 40.321 39.000 0.070 0.000 1.226 187 F HN 0.299 nan 8.300 nan 0.000 0.491 188 A N 1.263 124.266 122.820 0.306 0.000 2.513 188 A HA 0.582 4.901 4.320 -0.001 0.000 0.296 188 A C -1.125 176.594 177.584 0.225 0.000 1.052 188 A CA -0.452 51.698 52.037 0.189 0.000 0.714 188 A CB 0.171 19.201 19.000 0.049 0.000 1.279 188 A HN 1.452 nan 8.150 nan 0.000 0.397 189 N N 0.349 119.193 118.700 0.240 0.000 2.448 189 N HA 0.459 5.199 4.740 -0.001 0.000 0.250 189 N C 0.023 175.608 175.510 0.125 0.000 1.136 189 N CA 0.538 53.711 53.050 0.205 0.000 0.953 189 N CB -0.004 38.632 38.487 0.248 0.000 1.251 189 N HN 1.731 nan 8.380 nan 0.000 0.502 196 E N 1.296 121.435 120.200 -0.102 0.000 2.107 196 E HA 0.181 4.530 4.350 -0.001 0.000 0.191 196 E C 0.395 176.736 176.600 -0.431 0.000 0.982 196 E CA 0.500 56.810 56.400 -0.150 0.000 0.809 196 E CB 0.125 29.819 29.700 -0.012 0.000 0.756 196 E HN 0.367 nan 8.360 nan 0.000 0.459 197 I N 2.865 123.074 120.570 -0.603 0.000 2.826 197 I HA -0.049 4.121 4.170 -0.001 0.000 0.295 197 I C -1.934 173.830 176.117 -0.588 0.000 1.213 197 I CA -1.188 59.524 61.300 -0.980 0.000 1.436 197 I CB -0.039 37.626 38.000 -0.558 0.000 1.348 197 I HN 0.034 nan 8.210 nan 0.000 0.570 198 P HA 0.138 nan 4.420 nan 0.000 0.276 198 P C 0.268 177.452 177.300 -0.193 0.000 1.244 198 P CA -0.560 62.352 63.100 -0.313 0.000 0.801 198 P CB 0.984 32.525 31.700 -0.265 0.000 1.006 199 S N -1.467 114.159 115.700 -0.124 0.000 2.524 199 S HA 0.085 4.555 4.470 -0.001 0.000 0.216 199 S C 0.482 175.049 174.600 -0.056 0.000 0.987 199 S CA 0.124 58.278 58.200 -0.077 0.000 0.909 199 S CB -0.404 62.758 63.200 -0.063 0.000 0.781 199 S HN 0.370 nan 8.310 nan 0.000 0.521 200 E N 1.102 121.266 120.200 -0.060 0.000 2.266 200 E HA 0.609 4.959 4.350 -0.001 0.000 0.277 200 E C 1.154 177.738 176.600 -0.027 0.000 1.018 200 E CA 0.201 56.578 56.400 -0.040 0.000 0.840 200 E CB 1.260 30.937 29.700 -0.037 0.000 1.082 200 E HN 0.249 nan 8.360 nan 0.000 0.395 201 K N 2.512 122.901 120.400 -0.019 0.000 2.001 201 K HA -0.259 4.061 4.320 -0.001 0.000 0.214 201 K C 1.714 178.313 176.600 -0.001 0.000 1.050 201 K CA 2.293 58.573 56.287 -0.012 0.000 0.934 201 K CB -0.877 31.608 32.500 -0.025 0.000 0.718 201 K HN 0.577 nan 8.250 nan 0.000 0.443 202 E N -0.080 120.116 120.200 -0.005 0.000 2.058 202 E HA -0.046 4.303 4.350 -0.001 0.000 0.194 202 E C 2.386 178.999 176.600 0.022 0.000 0.997 202 E CA 1.546 57.949 56.400 0.005 0.000 0.801 202 E CB -0.380 29.320 29.700 -0.000 0.000 0.746 202 E HN 0.618 nan 8.360 nan 0.000 0.450 203 A N 0.989 123.813 122.820 0.007 0.000 1.858 203 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 203 A C 2.408 180.012 177.584 0.034 0.000 1.190 203 A CA 2.083 54.125 52.037 0.007 0.000 0.617 203 A CB -1.121 17.857 19.000 -0.037 0.000 0.827 203 A HN 0.302 nan 8.150 nan 0.000 0.443 204 A N -0.027 122.799 122.820 0.010 0.000 1.892 204 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 204 A C 2.125 179.861 177.584 0.253 0.000 1.188 204 A CA 1.729 53.797 52.037 0.051 0.000 0.631 204 A CB -0.791 18.268 19.000 0.098 0.000 0.822 204 A HN 0.521 nan 8.150 nan 0.000 0.447 205 I N -0.244 120.457 120.570 0.219 0.000 2.087 205 I HA -0.392 3.778 4.170 -0.001 0.000 0.240 205 I C 3.008 179.324 176.117 0.332 0.000 1.054 205 I CA 1.593 63.058 61.300 0.275 0.000 1.311 205 I CB -0.435 37.609 38.000 0.073 0.000 1.024 205 I HN 0.387 nan 8.210 nan 0.000 0.402 206 A N 0.266 123.201 122.820 0.192 0.000 1.877 206 A HA -0.261 4.058 4.320 -0.001 0.000 0.216 206 A C 2.257 179.910 177.584 0.115 0.000 1.186 206 A CA 1.652 53.774 52.037 0.142 0.000 0.620 206 A CB -1.111 17.942 19.000 0.088 0.000 0.822 206 A HN 0.468 nan 8.150 nan 0.000 0.443 207 F N -0.704 119.210 119.950 -0.059 0.000 2.043 207 F HA -0.284 4.242 4.527 -0.001 0.000 0.297 207 F C 2.126 177.815 175.800 -0.184 0.000 1.118 207 F CA 2.299 60.176 58.000 -0.204 0.000 1.202 207 F CB -0.569 38.196 39.000 -0.392 0.000 0.965 207 F HN 0.414 nan 8.300 nan 0.000 0.482 208 W N 0.356 121.802 121.300 0.243 0.000 2.358 208 W HA -0.159 4.500 4.660 -0.001 0.000 0.303 208 W C 2.746 179.185 176.519 -0.134 0.000 1.208 208 W CA 1.718 59.102 57.345 0.065 0.000 1.274 208 W CB -0.942 28.631 29.460 0.189 0.000 1.138 208 W HN 0.010 nan 8.180 nan 0.000 0.515 209 K N 0.122 120.646 120.400 0.206 0.000 2.103 209 K HA -0.248 4.071 4.320 -0.001 0.000 0.207 209 K C 1.614 178.198 176.600 -0.027 0.000 1.048 209 K CA 2.032 58.359 56.287 0.067 0.000 0.930 209 K CB -0.954 31.659 32.500 0.187 0.000 0.716 209 K HN 0.229 nan 8.250 nan 0.000 0.444 210 Q N -0.326 119.432 119.800 -0.070 0.000 2.096 210 Q HA 0.060 4.400 4.340 -0.001 0.000 0.197 210 Q C 2.598 178.495 176.000 -0.172 0.000 0.964 210 Q CA 2.592 58.320 55.803 -0.125 0.000 0.838 210 Q CB -0.269 28.374 28.738 -0.160 0.000 0.906 210 Q HN 0.628 nan 8.270 nan 0.000 0.444 211 K N 0.503 120.741 120.400 -0.269 0.000 2.057 211 K HA -0.062 4.258 4.320 -0.001 0.000 0.207 211 K C 2.099 178.656 176.600 -0.071 0.000 1.049 211 K CA 1.473 57.637 56.287 -0.206 0.000 0.931 211 K CB -1.195 31.140 32.500 -0.275 0.000 0.714 211 K HN 0.339 nan 8.250 nan 0.000 0.440 212 L N 0.056 121.238 121.223 -0.068 0.000 2.012 212 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 212 L C 3.157 179.975 176.870 -0.085 0.000 1.073 212 L CA 1.309 56.065 54.840 -0.140 0.000 0.748 212 L CB -0.570 41.256 42.059 -0.389 0.000 0.891 212 L HN 0.481 nan 8.230 nan 0.000 0.431 213 A N -0.144 122.635 122.820 -0.068 0.000 1.908 213 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 213 A C 1.939 179.507 177.584 -0.025 0.000 1.181 213 A CA 2.172 54.190 52.037 -0.031 0.000 0.627 213 A CB -0.567 18.418 19.000 -0.024 0.000 0.818 213 A HN 0.403 nan 8.150 nan 0.000 0.445 214 D N -0.339 120.037 120.400 -0.040 0.000 2.144 214 D HA -0.086 4.554 4.640 -0.001 0.000 0.200 214 D C 2.120 178.412 176.300 -0.012 0.000 0.978 214 D CA 1.481 55.463 54.000 -0.030 0.000 0.833 214 D CB -0.406 40.367 40.800 -0.045 0.000 0.961 214 D HN 0.266 nan 8.370 nan 0.000 0.470 215 V N 1.354 121.262 119.914 -0.010 0.000 2.307 215 V HA -0.193 3.927 4.120 -0.001 0.000 0.245 215 V C 2.226 178.331 176.094 0.018 0.000 1.045 215 V CA 1.559 63.863 62.300 0.007 0.000 1.024 215 V CB -0.489 31.335 31.823 0.001 0.000 0.651 215 V HN 0.177 nan 8.190 nan 0.000 0.449 216 E N 0.144 120.353 120.200 0.015 0.000 2.208 216 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 216 E C 2.557 179.171 176.600 0.024 0.000 0.988 216 E CA 1.039 57.457 56.400 0.030 0.000 0.828 216 E CB -0.251 29.472 29.700 0.039 0.000 0.763 216 E HN 0.659 nan 8.360 nan 0.000 0.478 217 R N 0.474 120.982 120.500 0.013 0.000 2.112 217 R HA -0.246 4.093 4.340 -0.001 0.000 0.242 217 R C 2.379 178.685 176.300 0.011 0.000 1.137 217 R CA 2.424 58.530 56.100 0.009 0.000 0.944 217 R CB -2.173 28.127 30.300 0.000 0.000 0.857 217 R HN 0.512 nan 8.270 nan 0.000 0.435 218 Y N -0.902 119.406 120.300 0.013 0.000 2.436 218 Y HA 0.681 5.231 4.550 -0.001 0.000 0.288 218 Y C 2.005 177.922 175.900 0.028 0.000 1.112 218 Y CA -0.095 58.013 58.100 0.013 0.000 1.220 218 Y CB -0.832 37.632 38.460 0.006 0.000 1.073 218 Y HN 0.787 nan 8.280 nan 0.000 0.552 219 A N 1.189 124.035 122.820 0.043 0.000 2.531 219 A HA 0.355 4.674 4.320 -0.001 0.000 0.236 219 A C 1.459 179.077 177.584 0.057 0.000 1.062 219 A CA 0.471 52.548 52.037 0.067 0.000 0.760 219 A CB -0.197 18.854 19.000 0.085 0.000 0.995 219 A HN 1.239 nan 8.150 nan 0.000 0.501 220 S N 0.211 115.951 115.700 0.066 0.000 2.559 220 S HA 0.276 4.745 4.470 -0.001 0.000 0.226 220 S C 0.630 175.266 174.600 0.059 0.000 1.000 220 S CA 0.624 58.856 58.200 0.054 0.000 0.948 220 S CB -0.410 62.819 63.200 0.049 0.000 0.870 220 S HN 1.493 nan 8.310 nan 0.000 0.497 221 T N -0.821 113.781 114.554 0.081 0.000 2.742 221 T HA 0.495 4.844 4.350 -0.001 0.000 0.282 221 T C -0.290 174.462 174.700 0.086 0.000 1.025 221 T CA -0.825 61.334 62.100 0.098 0.000 1.020 221 T CB 0.960 69.914 68.868 0.144 0.000 1.317 221 T HN -0.055 nan 8.240 nan 0.000 0.538 222 N N 0.468 119.198 118.700 0.049 0.000 2.276 222 N HA 0.089 4.828 4.740 -0.001 0.000 0.212 222 N C -0.558 174.822 175.510 -0.218 0.000 1.127 222 N CA 0.020 53.015 53.050 -0.091 0.000 0.834 222 N CB -0.159 38.234 38.487 -0.157 0.000 1.014 222 N HN 0.550 nan 8.380 nan 0.000 0.491 223 H N 0.787 119.932 119.070 0.124 0.000 2.638 223 H HA 0.297 4.853 4.556 -0.001 0.000 0.303 223 H C -0.109 175.442 175.328 0.371 0.000 1.034 223 H CA -0.349 55.871 56.048 0.286 0.000 1.225 223 H CB 1.236 31.068 29.762 0.115 0.000 1.394 223 H HN -0.063 nan 8.280 nan 0.000 0.477 224 L N 4.567 126.040 121.223 0.415 0.000 2.272 224 L HA 0.337 4.677 4.340 -0.001 0.000 0.289 224 L C 0.397 177.346 176.870 0.131 0.000 1.032 224 L CA -0.306 54.667 54.840 0.221 0.000 0.810 224 L CB 1.705 43.800 42.059 0.060 0.000 1.205 224 L HN 0.324 nan 8.230 nan 0.000 0.422 229 G N 1.181 110.092 108.800 0.184 0.000 2.503 229 G HA2 0.544 4.503 3.960 -0.001 0.000 0.257 229 G HA3 0.544 4.503 3.960 -0.001 0.000 0.257 229 G C 0.088 174.996 174.900 0.012 0.000 1.214 229 G CA -0.180 44.888 45.100 -0.052 0.000 0.839 229 G HN 0.336 nan 8.290 nan 0.000 0.559 230 V N 0.303 120.195 119.914 -0.037 0.000 2.962 230 V HA 0.919 5.038 4.120 -0.001 0.000 0.313 230 V C -0.581 175.495 176.094 -0.030 0.000 1.099 230 V CA -0.566 61.747 62.300 0.022 0.000 0.971 230 V CB 1.842 33.736 31.823 0.119 0.000 1.028 230 V HN 1.172 nan 8.190 nan 0.000 0.430 239 I N 0.212 120.792 120.570 0.017 0.000 2.584 239 I HA 0.022 4.192 4.170 -0.001 0.000 0.255 239 I C 2.700 178.781 176.117 -0.059 0.000 1.145 239 I CA 2.012 63.312 61.300 -0.001 0.000 1.462 239 I CB 0.304 38.308 38.000 0.005 0.000 1.102 239 I HN 0.581 nan 8.210 nan 0.000 0.433 240 T N 0.524 115.043 114.554 -0.058 0.000 2.788 240 T HA -0.180 4.170 4.350 -0.001 0.000 0.268 240 T C 2.187 176.870 174.700 -0.027 0.000 1.044 240 T CA 1.907 63.974 62.100 -0.055 0.000 1.139 240 T CB -0.613 68.250 68.868 -0.008 0.000 0.867 240 T HN 0.441 nan 8.240 nan 0.000 0.454 241 K N 1.576 121.966 120.400 -0.017 0.000 2.002 241 K HA 0.270 4.589 4.320 -0.001 0.000 0.209 241 K C 2.611 179.204 176.600 -0.012 0.000 1.048 241 K CA 1.565 57.843 56.287 -0.015 0.000 0.930 241 K CB -1.407 31.083 32.500 -0.015 0.000 0.714 241 K HN 0.472 nan 8.250 nan 0.000 0.438 242 A N 0.556 123.378 122.820 0.003 0.000 1.969 242 A HA 0.078 4.398 4.320 -0.001 0.000 0.218 242 A C 2.419 180.018 177.584 0.025 0.000 1.169 242 A CA 1.441 53.501 52.037 0.038 0.000 0.635 242 A CB -0.360 18.683 19.000 0.073 0.000 0.810 242 A HN 0.505 nan 8.150 nan 0.000 0.445 243 I N -0.445 120.117 120.570 -0.013 0.000 2.252 243 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 243 I C 2.907 178.955 176.117 -0.114 0.000 1.102 243 I CA 0.992 62.245 61.300 -0.079 0.000 1.385 243 I CB -0.224 37.768 38.000 -0.015 0.000 1.064 243 I HN 0.347 nan 8.210 nan 0.000 0.414 244 A N 0.797 123.582 122.820 -0.058 0.000 1.930 244 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 244 A C 2.569 180.116 177.584 -0.061 0.000 1.175 244 A CA 1.756 53.765 52.037 -0.045 0.000 0.627 244 A CB -1.244 17.742 19.000 -0.023 0.000 0.815 244 A HN 0.335 nan 8.150 nan 0.000 0.443 245 L N -0.905 120.284 121.223 -0.058 0.000 2.042 245 L HA 0.100 4.440 4.340 -0.001 0.000 0.210 245 L C 2.934 179.738 176.870 -0.112 0.000 1.076 245 L CA 2.827 57.636 54.840 -0.052 0.000 0.749 245 L CB -2.134 39.920 42.059 -0.009 0.000 0.893 245 L HN 0.675 nan 8.230 nan 0.000 0.432 246 A N -0.843 121.819 122.820 -0.263 0.000 1.972 246 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 246 A C 2.241 179.569 177.584 -0.427 0.000 1.169 246 A CA 1.540 53.172 52.037 -0.675 0.000 0.635 246 A CB -0.690 17.213 19.000 -1.828 0.000 0.810 246 A HN 0.729 nan 8.150 nan 0.000 0.446 247 N N -0.224 118.371 118.700 -0.174 0.000 2.300 247 N HA -0.082 4.657 4.740 -0.001 0.000 0.179 247 N C 1.581 177.117 175.510 0.043 0.000 1.016 247 N CA 1.112 54.194 53.050 0.053 0.000 0.876 247 N CB -0.258 38.264 38.487 0.058 0.000 0.979 247 N HN 0.639 nan 8.380 nan 0.000 0.432 248 E N 0.632 120.821 120.200 -0.018 0.000 2.085 248 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 248 E C 1.866 178.434 176.600 -0.054 0.000 0.994 248 E CA 0.774 57.157 56.400 -0.028 0.000 0.801 248 E CB -0.017 29.657 29.700 -0.043 0.000 0.743 248 E HN 0.331 nan 8.360 nan 0.000 0.453 249 L N -0.551 120.612 121.223 -0.100 0.000 2.131 249 L HA 0.005 4.344 4.340 -0.001 0.000 0.206 249 L C 0.388 176.986 176.870 -0.453 0.000 1.087 249 L CA 0.392 55.045 54.840 -0.311 0.000 0.767 249 L CB 0.096 41.889 42.059 -0.444 0.000 0.917 249 L HN -0.021 nan 8.230 nan 0.000 0.441 250 F N 0.050 120.071 119.950 0.119 0.000 2.427 250 F HA 0.325 4.852 4.527 -0.001 0.000 0.348 250 F C -1.508 174.391 175.800 0.165 0.000 1.125 250 F CA -2.089 56.040 58.000 0.215 0.000 0.989 250 F CB 0.864 40.118 39.000 0.423 0.000 1.165 250 F HN -0.240 nan 8.300 nan 0.000 0.442 251 P HA -0.130 nan 4.420 nan 0.000 0.224 251 P C 0.855 178.205 177.300 0.083 0.000 1.157 251 P CA 1.174 64.351 63.100 0.127 0.000 0.799 251 P CB 0.248 31.991 31.700 0.073 0.000 0.809 252 E N -0.794 119.451 120.200 0.075 0.000 2.479 252 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 252 E C -0.670 175.660 176.600 -0.450 0.000 1.049 252 E CA -0.127 56.163 56.400 -0.184 0.000 0.870 252 E CB -0.254 29.288 29.700 -0.263 0.000 0.944 252 E HN 0.255 nan 8.360 nan 0.000 0.492 253 Y N 0.676 121.007 120.300 0.052 0.000 2.391 253 Y HA 0.392 4.942 4.550 -0.001 0.000 0.341 253 Y C 0.004 175.880 175.900 -0.040 0.000 0.965 253 Y CA -1.003 57.042 58.100 -0.092 0.000 1.067 253 Y CB 1.843 40.198 38.460 -0.175 0.000 1.199 253 Y HN -0.118 nan 8.280 nan 0.000 0.450 254 E N 3.568 123.730 120.200 -0.063 0.000 2.151 254 E HA 0.334 4.683 4.350 -0.001 0.000 0.275 254 E C -1.713 174.754 176.600 -0.223 0.000 0.936 254 E CA -0.629 55.738 56.400 -0.056 0.000 0.777 254 E CB 1.008 30.640 29.700 -0.115 0.000 1.108 254 E HN 0.535 nan 8.360 nan 0.000 0.401 255 F N 4.079 123.944 119.950 -0.142 0.000 2.411 255 F HA 0.415 4.941 4.527 -0.001 0.000 0.352 255 F C 0.161 175.854 175.800 -0.179 0.000 1.123 255 F CA -0.749 57.126 58.000 -0.209 0.000 1.044 255 F CB 1.027 39.869 39.000 -0.263 0.000 1.135 255 F HN 0.318 nan 8.300 nan 0.000 0.461 256 I N 3.135 123.646 120.570 -0.099 0.000 2.533 256 I HA 0.249 4.419 4.170 -0.001 0.000 0.290 256 I C -0.752 175.350 176.117 -0.025 0.000 1.056 256 I CA -0.610 60.640 61.300 -0.083 0.000 1.057 256 I CB 1.107 38.993 38.000 -0.189 0.000 1.240 256 I HN 0.418 nan 8.210 nan 0.000 0.423 257 H N 5.488 124.507 119.070 -0.085 0.000 3.017 257 H HA 0.496 5.052 4.556 -0.001 0.000 0.276 257 H C -0.215 175.039 175.328 -0.123 0.000 1.062 257 H CA 0.875 56.856 56.048 -0.112 0.000 1.486 257 H CB 0.544 30.229 29.762 -0.129 0.000 1.507 257 H HN 0.600 nan 8.280 nan 0.000 0.508 258 S N 3.439 118.909 115.700 -0.384 0.000 3.255 258 S HA 0.559 5.028 4.470 -0.001 0.000 0.305 258 S C -1.152 173.229 174.600 -0.366 0.000 1.067 258 S CA -0.489 57.557 58.200 -0.257 0.000 0.966 258 S CB 0.772 63.984 63.200 0.021 0.000 1.366 258 S HN 0.935 nan 8.310 nan 0.000 0.717 259 N N -0.496 118.060 118.700 -0.240 0.000 2.859 259 N HA 0.226 4.965 4.740 -0.001 0.000 0.250 259 N C -0.346 175.041 175.510 -0.205 0.000 1.341 259 N CA -0.501 52.391 53.050 -0.264 0.000 0.881 259 N CB 0.150 38.556 38.487 -0.136 0.000 1.516 259 N HN 0.422 nan 8.380 nan 0.000 0.503 260 F N 1.134 120.961 119.950 -0.205 0.000 2.120 260 F HA -0.181 4.345 4.527 -0.001 0.000 0.300 260 F C 2.030 177.807 175.800 -0.038 0.000 1.095 260 F CA 1.623 59.536 58.000 -0.145 0.000 1.249 260 F CB -0.254 38.586 39.000 -0.267 0.000 0.995 260 F HN 0.515 nan 8.300 nan 0.000 0.480 261 D N 0.262 120.742 120.400 0.133 0.000 2.103 261 D HA -0.185 4.455 4.640 -0.001 0.000 0.190 261 D C 1.929 178.251 176.300 0.036 0.000 0.997 261 D CA 1.719 55.764 54.000 0.077 0.000 0.833 261 D CB -0.557 40.273 40.800 0.049 0.000 0.961 261 D HN 0.215 nan 8.370 nan 0.000 0.447 262 D N -0.538 119.878 120.400 0.027 0.000 2.104 262 D HA -0.176 4.464 4.640 -0.001 0.000 0.194 262 D C 1.981 178.255 176.300 -0.044 0.000 0.994 262 D CA 0.711 54.723 54.000 0.020 0.000 0.830 262 D CB -0.520 40.324 40.800 0.073 0.000 0.959 262 D HN 0.307 nan 8.370 nan 0.000 0.452 263 Y N 1.086 121.256 120.300 -0.218 0.000 2.352 263 Y HA -0.059 4.491 4.550 -0.001 0.000 0.292 263 Y C 2.107 177.826 175.900 -0.302 0.000 1.136 263 Y CA 0.945 58.746 58.100 -0.497 0.000 1.227 263 Y CB -0.213 37.901 38.460 -0.576 0.000 0.991 263 Y HN -0.074 nan 8.280 nan 0.000 0.545 264 L N 0.155 121.301 121.223 -0.128 0.000 2.093 264 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 264 L C 2.770 179.484 176.870 -0.259 0.000 1.085 264 L CA 1.623 56.388 54.840 -0.125 0.000 0.755 264 L CB -0.829 41.270 42.059 0.066 0.000 0.904 264 L HN 0.255 nan 8.230 nan 0.000 0.435 265 K N 0.171 120.446 120.400 -0.208 0.000 2.062 265 K HA 0.037 4.356 4.320 -0.001 0.000 0.205 265 K C 2.185 178.617 176.600 -0.281 0.000 1.051 265 K CA 1.208 57.380 56.287 -0.192 0.000 0.941 265 K CB -1.097 31.338 32.500 -0.109 0.000 0.719 265 K HN 0.373 nan 8.250 nan 0.000 0.440 266 A N 0.358 122.962 122.820 -0.359 0.000 1.858 266 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 266 A C 2.533 179.675 177.584 -0.736 0.000 1.190 266 A CA 1.860 53.599 52.037 -0.496 0.000 0.617 266 A CB -0.805 17.921 19.000 -0.456 0.000 0.827 266 A HN 0.421 nan 8.150 nan 0.000 0.443 267 V N -0.180 119.226 119.914 -0.848 0.000 2.515 267 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 267 V C 2.502 178.288 176.094 -0.513 0.000 1.058 267 V CA 2.349 64.207 62.300 -0.737 0.000 1.064 267 V CB -0.542 30.762 31.823 -0.864 0.000 0.675 267 V HN 0.684 nan 8.190 nan 0.000 0.461 268 Q N -0.429 119.057 119.800 -0.524 0.000 2.230 268 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 268 Q C 2.126 177.954 176.000 -0.286 0.000 0.963 268 Q CA 1.595 57.100 55.803 -0.497 0.000 0.866 268 Q CB -0.034 28.396 28.738 -0.514 0.000 0.931 268 Q HN 0.885 nan 8.270 nan 0.000 0.452 269 E N -0.180 119.870 120.200 -0.250 0.000 2.347 269 E HA -0.134 4.215 4.350 -0.001 0.000 0.196 269 E C 1.128 177.660 176.600 -0.113 0.000 1.008 269 E CA 1.278 57.586 56.400 -0.154 0.000 0.852 269 E CB 0.119 29.737 29.700 -0.135 0.000 0.783 269 E HN 0.300 nan 8.360 nan 0.000 0.505 270 E N 0.964 121.082 120.200 -0.138 0.000 2.603 270 E HA 0.436 4.786 4.350 -0.001 0.000 0.211 270 E C 0.649 177.227 176.600 -0.036 0.000 0.995 270 E CA 0.400 56.767 56.400 -0.055 0.000 0.990 270 E CB -0.446 29.257 29.700 0.005 0.000 1.036 270 E HN 0.410 nan 8.360 nan 0.000 0.475 271 L N 1.210 122.392 121.223 -0.068 0.000 2.453 271 L HA 0.673 5.012 4.340 -0.001 0.000 0.272 271 L C -1.107 175.783 176.870 0.033 0.000 1.182 271 L CA -1.335 53.486 54.840 -0.032 0.000 0.858 271 L CB -0.544 41.466 42.059 -0.082 0.000 1.120 271 L HN 0.255 nan 8.230 nan 0.000 0.474 276 G N 1.862 110.750 108.800 0.147 0.000 3.081 276 G HA2 0.047 4.006 3.960 -0.001 0.000 0.603 276 G HA3 0.047 4.006 3.960 -0.001 0.000 0.603 276 G C -0.663 174.354 174.900 0.195 0.000 1.106 276 G CA -0.195 44.977 45.100 0.120 0.000 1.001 276 G HN 0.551 nan 8.290 nan 0.000 0.445 277 T N 0.964 115.602 114.554 0.141 0.000 2.921 277 T HA 0.662 5.012 4.350 -0.001 0.000 0.297 277 T C -0.187 174.555 174.700 0.070 0.000 1.013 277 T CA -0.628 61.573 62.100 0.168 0.000 0.990 277 T CB 2.616 71.596 68.868 0.187 0.000 1.023 277 T HN 0.887 nan 8.240 nan 0.000 0.447 278 V N 2.624 122.572 119.914 0.056 0.000 2.715 278 V HA 0.771 4.890 4.120 -0.001 0.000 0.310 278 V C -0.352 175.804 176.094 0.103 0.000 1.054 278 V CA -0.475 61.794 62.300 -0.050 0.000 0.928 278 V CB 2.357 34.001 31.823 -0.299 0.000 1.007 278 V HN 1.069 nan 8.190 nan 0.000 0.437 279 T N 2.983 117.581 114.554 0.073 0.000 2.928 279 T HA 0.693 5.042 4.350 -0.001 0.000 0.296 279 T C 0.289 175.100 174.700 0.184 0.000 1.000 279 T CA 0.301 62.509 62.100 0.181 0.000 0.989 279 T CB 1.265 70.190 68.868 0.095 0.000 1.005 279 T HN 1.485 nan 8.240 nan 0.000 0.442 280 G N 3.756 112.735 108.800 0.298 0.000 2.527 280 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.268 280 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.268 280 G C -0.183 174.911 174.900 0.323 0.000 1.175 280 G CA -0.032 45.197 45.100 0.216 0.000 0.962 280 G HN 0.820 nan 8.290 nan 0.000 0.560 294 A N -0.144 122.689 122.820 0.022 0.000 2.238 294 A HA 0.119 4.438 4.320 -0.001 0.000 0.208 294 A C 1.444 179.029 177.584 0.003 0.000 1.177 294 A CA 1.111 53.155 52.037 0.011 0.000 0.804 294 A CB -1.063 17.920 19.000 -0.027 0.000 0.823 294 A HN 0.841 nan 8.150 nan 0.000 0.482 295 N N -0.018 118.691 118.700 0.015 0.000 2.512 295 N HA -0.111 4.629 4.740 -0.001 0.000 0.183 295 N C 1.670 177.173 175.510 -0.012 0.000 1.073 295 N CA 1.327 54.381 53.050 0.007 0.000 0.911 295 N CB -0.097 38.422 38.487 0.053 0.000 0.964 295 N HN 0.637 nan 8.380 nan 0.000 0.447 296 T N -2.632 111.920 114.554 -0.004 0.000 2.915 296 T HA -0.033 4.316 4.350 -0.001 0.000 0.269 296 T C 1.899 176.577 174.700 -0.035 0.000 1.071 296 T CA 0.866 62.937 62.100 -0.050 0.000 1.132 296 T CB -0.298 68.544 68.868 -0.042 0.000 0.878 296 T HN -0.060 nan 8.240 nan 0.000 0.479 297 S N 1.922 117.631 115.700 0.014 0.000 2.440 297 S HA -0.073 4.397 4.470 -0.001 0.000 0.238 297 S C 2.085 176.682 174.600 -0.005 0.000 1.010 297 S CA 1.336 59.576 58.200 0.066 0.000 0.972 297 S CB -0.381 62.905 63.200 0.144 0.000 0.774 297 S HN 0.888 nan 8.310 nan 0.000 0.501 298 S N -0.360 115.308 115.700 -0.052 0.000 2.666 298 S HA 0.576 5.045 4.470 -0.001 0.000 0.239 298 S C 0.331 174.871 174.600 -0.101 0.000 1.031 298 S CA -0.160 57.987 58.200 -0.088 0.000 1.015 298 S CB 0.289 63.414 63.200 -0.124 0.000 0.981 298 S HN 0.358 nan 8.310 nan 0.000 0.547 299 A N 2.448 125.205 122.820 -0.105 0.000 2.450 299 A HA 0.604 4.923 4.320 -0.001 0.000 0.255 299 A C 0.678 178.153 177.584 -0.181 0.000 1.096 299 A CA -0.437 51.521 52.037 -0.131 0.000 0.778 299 A CB -0.355 18.550 19.000 -0.158 0.000 1.031 299 A HN 0.562 nan 8.150 nan 0.000 0.494 300 R N 1.517 121.918 120.500 -0.164 0.000 3.079 300 R HA -0.173 4.166 4.340 -0.001 0.000 0.254 300 R C 0.801 176.891 176.300 -0.350 0.000 0.900 300 R CA 0.351 56.284 56.100 -0.278 0.000 0.641 300 R CB -2.408 27.584 30.300 -0.514 0.000 1.307 300 R HN 0.707 nan 8.270 nan 0.000 0.477 301 V N -0.167 119.692 119.914 -0.091 0.000 2.277 301 V HA -0.400 3.720 4.120 -0.001 0.000 0.253 301 V C 2.156 178.305 176.094 0.092 0.000 1.067 301 V CA 2.369 64.684 62.300 0.024 0.000 1.047 301 V CB -1.093 30.824 31.823 0.157 0.000 0.649 301 V HN 0.708 nan 8.190 nan 0.000 0.447 302 Y N 0.558 121.035 120.300 0.294 0.000 2.241 302 Y HA -0.150 4.399 4.550 -0.001 0.000 0.286 302 Y C 2.174 178.274 175.900 0.334 0.000 1.166 302 Y CA 1.431 59.756 58.100 0.375 0.000 1.203 302 Y CB -1.143 37.586 38.460 0.449 0.000 0.977 302 Y HN 0.174 nan 8.280 nan 0.000 0.529 303 L N -0.013 121.033 121.223 -0.294 0.000 2.056 303 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 303 L C 2.417 179.307 176.870 0.033 0.000 1.078 303 L CA 1.559 56.389 54.840 -0.016 0.000 0.749 303 L CB -0.453 41.536 42.059 -0.117 0.000 0.901 303 L HN 0.110 nan 8.230 nan 0.000 0.433 304 K N -0.075 120.324 120.400 -0.003 0.000 2.097 304 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 304 K C 2.152 178.766 176.600 0.023 0.000 1.049 304 K CA 1.181 57.486 56.287 0.029 0.000 0.933 304 K CB -0.198 32.319 32.500 0.028 0.000 0.717 304 K HN 0.285 nan 8.250 nan 0.000 0.442 305 Q N -1.213 118.619 119.800 0.054 0.000 2.020 305 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 305 Q C 1.971 177.889 176.000 -0.138 0.000 0.982 305 Q CA 1.725 57.531 55.803 0.006 0.000 0.838 305 Q CB -0.277 28.502 28.738 0.069 0.000 0.899 305 Q HN 0.377 nan 8.270 nan 0.000 0.423 306 W N 1.215 122.385 121.300 -0.217 0.000 2.335 306 W HA -0.222 4.438 4.660 -0.001 0.000 0.311 306 W C 2.219 178.333 176.519 -0.676 0.000 1.213 306 W CA 1.402 58.459 57.345 -0.480 0.000 1.274 306 W CB -0.530 28.511 29.460 -0.699 0.000 1.148 306 W HN 0.244 nan 8.180 nan 0.000 0.498 307 N N -0.661 117.732 118.700 -0.511 0.000 2.069 307 N HA -0.180 4.560 4.740 -0.001 0.000 0.191 307 N C 1.610 177.128 175.510 0.013 0.000 1.031 307 N CA 2.517 55.467 53.050 -0.168 0.000 0.852 307 N CB -0.806 37.767 38.487 0.144 0.000 1.018 307 N HN -0.075 nan 8.380 nan 0.000 0.423 308 T N -0.031 114.521 114.554 -0.004 0.000 2.665 308 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 308 T C 2.133 176.836 174.700 0.005 0.000 1.035 308 T CA 2.498 64.613 62.100 0.026 0.000 1.151 308 T CB -0.544 68.337 68.868 0.022 0.000 0.862 308 T HN 0.589 nan 8.240 nan 0.000 0.438 309 K N 0.975 121.333 120.400 -0.070 0.000 2.026 309 K HA 0.034 4.353 4.320 -0.001 0.000 0.208 309 K C 2.511 179.101 176.600 -0.017 0.000 1.048 309 K CA 1.655 57.887 56.287 -0.092 0.000 0.929 309 K CB -1.393 30.946 32.500 -0.268 0.000 0.713 309 K HN 0.390 nan 8.250 nan 0.000 0.439 310 V N 0.657 120.587 119.914 0.027 0.000 2.488 310 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 310 V C 2.260 178.356 176.094 0.003 0.000 1.046 310 V CA 2.159 64.500 62.300 0.069 0.000 1.053 310 V CB -0.380 31.552 31.823 0.182 0.000 0.679 310 V HN 0.683 nan 8.190 nan 0.000 0.458 311 Q N 0.507 120.336 119.800 0.048 0.000 2.014 311 Q HA -0.269 4.071 4.340 -0.001 0.000 0.207 311 Q C 2.650 178.699 176.000 0.082 0.000 0.993 311 Q CA 3.388 59.235 55.803 0.073 0.000 0.850 311 Q CB -0.554 28.291 28.738 0.178 0.000 0.916 311 Q HN 0.767 nan 8.270 nan 0.000 0.417 312 R N 0.850 121.401 120.500 0.084 0.000 2.127 312 R HA -0.211 4.129 4.340 -0.001 0.000 0.238 312 R C 1.779 178.117 176.300 0.063 0.000 1.134 312 R CA 1.969 58.123 56.100 0.090 0.000 0.975 312 R CB -1.208 29.136 30.300 0.075 0.000 0.865 312 R HN 0.333 nan 8.270 nan 0.000 0.447 313 Q N 0.090 119.903 119.800 0.021 0.000 2.119 313 Q HA 0.080 4.420 4.340 -0.001 0.000 0.201 313 Q C 1.987 177.992 176.000 0.008 0.000 0.972 313 Q CA 1.690 57.481 55.803 -0.019 0.000 0.847 313 Q CB -0.086 28.629 28.738 -0.039 0.000 0.903 313 Q HN 0.661 nan 8.270 nan 0.000 0.433 314 L N -0.689 120.531 121.223 -0.005 0.000 2.130 314 L HA 0.026 4.365 4.340 -0.001 0.000 0.200 314 L C 2.204 179.189 176.870 0.191 0.000 1.075 314 L CA 1.052 55.907 54.840 0.025 0.000 0.768 314 L CB -0.284 41.540 42.059 -0.392 0.000 0.933 314 L HN 0.199 nan 8.230 nan 0.000 0.451 315 E N 0.423 120.771 120.200 0.247 0.000 2.107 315 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 315 E C 1.303 178.049 176.600 0.242 0.000 0.982 315 E CA 1.396 57.993 56.400 0.328 0.000 0.809 315 E CB 0.019 29.931 29.700 0.353 0.000 0.756 315 E HN 0.537 nan 8.360 nan 0.000 0.459 316 N N -0.916 117.901 118.700 0.196 0.000 2.273 316 N HA 0.102 4.842 4.740 -0.001 0.000 0.192 316 N C 1.033 176.639 175.510 0.160 0.000 1.132 316 N CA 0.048 53.215 53.050 0.194 0.000 0.887 316 N CB 0.819 39.409 38.487 0.172 0.000 1.048 316 N HN 0.013 nan 8.380 nan 0.000 0.490 317 I N 0.003 120.642 120.570 0.115 0.000 3.523 317 I HA 0.271 4.440 4.170 -0.001 0.000 0.244 317 I C 2.126 178.284 176.117 0.068 0.000 1.110 317 I CA 0.474 61.814 61.300 0.066 0.000 1.517 317 I CB -1.220 36.777 38.000 -0.005 0.000 1.505 317 I HN -0.035 nan 8.210 nan 0.000 0.460 318 A N 1.091 123.967 122.820 0.094 0.000 1.873 318 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 318 A C 2.185 179.944 177.584 0.292 0.000 1.186 318 A CA 1.608 53.745 52.037 0.166 0.000 0.616 318 A CB -0.740 18.401 19.000 0.235 0.000 0.823 318 A HN 0.477 nan 8.150 nan 0.000 0.442 319 E N -0.510 119.832 120.200 0.237 0.000 2.038 319 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 319 E C -0.515 176.153 176.600 0.114 0.000 1.000 319 E CA 1.687 58.115 56.400 0.047 0.000 0.803 319 E CB -1.012 28.646 29.700 -0.071 0.000 0.750 319 E HN 0.464 nan 8.360 nan 0.000 0.448 320 P HA -0.128 nan 4.420 nan 0.000 0.218 320 P C 1.295 178.613 177.300 0.029 0.000 1.149 320 P CA 1.084 64.234 63.100 0.082 0.000 0.817 320 P CB 0.021 31.835 31.700 0.190 0.000 0.785 321 L N -1.262 119.971 121.223 0.017 0.000 2.095 321 L HA -0.041 4.298 4.340 -0.001 0.000 0.204 321 L C 2.495 179.327 176.870 -0.063 0.000 1.080 321 L CA 1.245 56.030 54.840 -0.092 0.000 0.759 321 L CB -1.080 40.874 42.059 -0.174 0.000 0.914 321 L HN -0.071 nan 8.230 nan 0.000 0.439 322 A N 0.448 123.280 122.820 0.019 0.000 1.877 322 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 322 A C 1.684 179.372 177.584 0.174 0.000 1.186 322 A CA 1.132 53.183 52.037 0.022 0.000 0.620 322 A CB -0.723 18.265 19.000 -0.021 0.000 0.822 322 A HN 0.348 nan 8.150 nan 0.000 0.443 326 Y N 2.012 122.361 120.300 0.083 0.000 2.207 326 Y HA -0.195 4.354 4.550 -0.001 0.000 0.287 326 Y C 2.206 178.177 175.900 0.118 0.000 1.156 326 Y CA 2.490 60.670 58.100 0.132 0.000 1.182 326 Y CB 0.143 38.734 38.460 0.219 0.000 0.979 326 Y HN 0.346 nan 8.280 nan 0.000 0.521 327 E N -0.171 120.189 120.200 0.266 0.000 2.114 327 E HA -0.253 4.096 4.350 -0.001 0.000 0.199 327 E C 2.404 179.022 176.600 0.030 0.000 1.008 327 E CA 1.690 58.208 56.400 0.196 0.000 0.810 327 E CB -1.006 28.870 29.700 0.293 0.000 0.739 327 E HN 0.520 nan 8.360 nan 0.000 0.456 328 V N -0.156 119.764 119.914 0.010 0.000 2.446 328 V HA -0.085 4.035 4.120 -0.001 0.000 0.244 328 V C 2.134 178.173 176.094 -0.091 0.000 1.039 328 V CA 2.383 64.665 62.300 -0.029 0.000 1.045 328 V CB 0.013 31.823 31.823 -0.021 0.000 0.681 328 V HN 0.212 nan 8.190 nan 0.000 0.459 329 T N -1.094 113.384 114.554 -0.128 0.000 3.051 329 T HA 0.257 4.606 4.350 -0.001 0.000 0.255 329 T C 1.387 175.958 174.700 -0.214 0.000 1.085 329 T CA 1.186 63.207 62.100 -0.131 0.000 1.109 329 T CB -0.282 68.539 68.868 -0.079 0.000 0.921 329 T HN 1.272 nan 8.240 nan 0.000 0.488 330 G N 1.709 110.222 108.800 -0.479 0.000 2.168 330 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.263 330 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.263 330 G C -0.350 174.326 174.900 -0.372 0.000 0.977 330 G CA 0.485 45.182 45.100 -0.671 0.000 0.659 330 G HN 0.578 nan 8.290 nan 0.000 0.533 331 D N -1.274 119.068 120.400 -0.098 0.000 2.490 331 D HA 0.620 5.259 4.640 -0.001 0.000 0.232 331 D C -1.015 175.597 176.300 0.519 0.000 1.053 331 D CA -0.472 53.692 54.000 0.273 0.000 0.914 331 D CB 2.024 42.909 40.800 0.142 0.000 1.431 331 D HN 0.185 nan 8.370 nan 0.000 0.483 332 Y N 0.740 121.234 120.300 0.323 0.000 2.396 332 Y HA 0.278 4.828 4.550 -0.001 0.000 0.332 332 Y C -2.443 173.470 175.900 0.021 0.000 1.034 332 Y CA -1.932 56.246 58.100 0.129 0.000 1.057 332 Y CB 2.532 40.958 38.460 -0.056 0.000 1.220 332 Y HN 0.048 nan 8.280 nan 0.000 0.440 333 P HA 0.127 nan 4.420 nan 0.000 0.230 333 P C 0.243 177.598 177.300 0.091 0.000 1.791 333 P CA 0.448 63.493 63.100 -0.091 0.000 1.020 333 P CB -0.090 31.442 31.700 -0.280 0.000 1.977 334 H N 0.645 119.956 119.070 0.402 0.000 2.319 334 H HA -0.124 4.431 4.556 -0.001 0.000 0.299 334 H C 0.942 176.474 175.328 0.339 0.000 1.092 334 H CA 1.732 58.068 56.048 0.481 0.000 1.302 334 H CB -0.158 29.816 29.762 0.353 0.000 1.373 334 H HN 0.300 nan 8.280 nan 0.000 0.497 335 D N 0.629 121.231 120.400 0.336 0.000 2.117 335 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 335 D C 2.348 178.774 176.300 0.211 0.000 0.982 335 D CA 0.838 54.977 54.000 0.231 0.000 0.828 335 D CB -0.153 40.733 40.800 0.145 0.000 0.967 335 D HN 0.352 nan 8.370 nan 0.000 0.464 336 Q N -0.429 119.453 119.800 0.137 0.000 2.084 336 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 336 Q C 2.018 178.130 176.000 0.187 0.000 0.978 336 Q CA 0.824 56.684 55.803 0.094 0.000 0.844 336 Q CB -0.372 28.336 28.738 -0.050 0.000 0.898 336 Q HN 0.240 nan 8.270 nan 0.000 0.426 337 F N 0.965 121.040 119.950 0.209 0.000 2.095 337 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 337 F C 1.996 178.031 175.800 0.392 0.000 1.104 337 F CA 1.644 59.815 58.000 0.284 0.000 1.232 337 F CB -0.764 38.429 39.000 0.321 0.000 0.987 337 F HN 0.158 nan 8.300 nan 0.000 0.475 338 D N -1.368 119.350 120.400 0.530 0.000 2.123 338 D HA -0.296 4.344 4.640 -0.001 0.000 0.196 338 D C 2.175 178.661 176.300 0.310 0.000 0.992 338 D CA 1.293 55.518 54.000 0.375 0.000 0.833 338 D CB -0.383 40.580 40.800 0.272 0.000 0.954 338 D HN 0.337 nan 8.370 nan 0.000 0.455 339 Y N 0.489 120.889 120.300 0.167 0.000 2.224 339 Y HA -0.084 4.465 4.550 -0.001 0.000 0.289 339 Y C 2.060 178.017 175.900 0.095 0.000 1.146 339 Y CA 1.708 59.868 58.100 0.100 0.000 1.182 339 Y CB -0.559 37.940 38.460 0.064 0.000 0.983 339 Y HN 0.046 nan 8.280 nan 0.000 0.524 340 A N -0.426 122.468 122.820 0.123 0.000 1.855 340 A HA -0.197 4.123 4.320 -0.001 0.000 0.215 340 A C 2.053 179.581 177.584 -0.092 0.000 1.191 340 A CA 1.593 53.604 52.037 -0.044 0.000 0.613 340 A CB -1.554 17.450 19.000 0.005 0.000 0.829 340 A HN 0.719 nan 8.150 nan 0.000 0.442 341 W N 0.215 121.547 121.300 0.053 0.000 2.338 341 W HA -0.130 4.529 4.660 -0.001 0.000 0.304 341 W C 2.374 178.839 176.519 -0.091 0.000 1.212 341 W CA 1.658 59.010 57.345 0.011 0.000 1.264 341 W CB -0.035 29.451 29.460 0.043 0.000 1.142 341 W HN 0.255 nan 8.180 nan 0.000 0.512 342 K N -0.612 119.823 120.400 0.059 0.000 2.026 342 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 342 K C 1.879 178.475 176.600 -0.006 0.000 1.048 342 K CA 2.087 58.322 56.287 -0.087 0.000 0.929 342 K CB -0.795 31.604 32.500 -0.169 0.000 0.713 342 K HN 0.028 nan 8.250 nan 0.000 0.439 343 T N 2.025 116.485 114.554 -0.155 0.000 2.652 343 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 343 T C 1.747 176.355 174.700 -0.153 0.000 1.039 343 T CA 1.343 63.319 62.100 -0.207 0.000 1.153 343 T CB -0.303 68.356 68.868 -0.349 0.000 0.863 343 T HN 0.100 nan 8.240 nan 0.000 0.428 344 L N 0.656 121.804 121.223 -0.125 0.000 2.042 344 L HA -0.010 4.330 4.340 -0.001 0.000 0.210 344 L C 2.017 178.723 176.870 -0.274 0.000 1.076 344 L CA 1.594 56.364 54.840 -0.118 0.000 0.749 344 L CB -0.773 41.232 42.059 -0.089 0.000 0.893 344 L HN 0.120 nan 8.230 nan 0.000 0.432 345 L N -0.693 120.401 121.223 -0.214 0.000 2.217 345 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 345 L C 2.517 179.359 176.870 -0.047 0.000 1.107 345 L CA 1.375 56.054 54.840 -0.268 0.000 0.783 345 L CB -1.002 41.137 42.059 0.133 0.000 0.919 345 L HN 0.422 nan 8.230 nan 0.000 0.442 346 Q N -0.806 118.992 119.800 -0.002 0.000 2.439 346 Q HA -0.142 4.197 4.340 -0.001 0.000 0.211 346 Q C 0.890 176.836 176.000 -0.090 0.000 0.978 346 Q CA 0.753 56.535 55.803 -0.034 0.000 0.897 346 Q CB -0.075 28.617 28.738 -0.076 0.000 0.956 346 Q HN 0.412 nan 8.270 nan 0.000 0.483 347 N N -0.895 117.737 118.700 -0.114 0.000 2.268 347 N HA 0.019 4.758 4.740 -0.001 0.000 0.204 347 N C -0.072 175.568 175.510 0.216 0.000 1.124 347 N CA 0.394 53.393 53.050 -0.085 0.000 0.838 347 N CB 0.348 38.594 38.487 -0.401 0.000 0.994 347 N HN 0.379 nan 8.380 nan 0.000 0.489 348 H N -1.486 117.599 119.070 0.026 0.000 2.755 348 H HA 0.215 4.770 4.556 -0.001 0.000 0.273 348 H C -1.844 173.513 175.328 0.048 0.000 1.055 348 H CA -1.366 54.724 56.048 0.070 0.000 1.191 348 H CB 0.693 30.524 29.762 0.114 0.000 1.536 348 H HN 0.124 nan 8.280 nan 0.000 0.529 349 P HA -0.016 nan 4.420 nan 0.000 0.274 349 P C 1.004 178.335 177.300 0.052 0.000 1.260 349 P CA 0.581 63.725 63.100 0.074 0.000 0.793 349 P CB 0.483 32.208 31.700 0.042 0.000 1.048 350 H N -1.020 118.077 119.070 0.044 0.000 2.556 350 H HA 0.017 4.572 4.556 -0.001 0.000 0.268 350 H C 0.516 175.876 175.328 0.054 0.000 0.996 350 H CA 1.197 57.273 56.048 0.046 0.000 1.157 350 H CB -0.695 29.101 29.762 0.057 0.000 1.355 350 H HN 0.294 nan 8.280 nan 0.000 0.597 351 D N -1.411 119.013 120.400 0.039 0.000 2.535 351 D HA 0.095 4.734 4.640 -0.001 0.000 0.229 351 D C 1.653 177.984 176.300 0.050 0.000 1.238 351 D CA 0.903 54.927 54.000 0.040 0.000 0.824 351 D CB 0.693 41.508 40.800 0.025 0.000 1.045 351 D HN 0.578 nan 8.370 nan 0.000 0.500 352 S N -0.591 115.151 115.700 0.069 0.000 3.148 352 S HA 0.023 4.492 4.470 -0.001 0.000 0.246 352 S C 1.712 176.409 174.600 0.162 0.000 1.041 352 S CA -0.147 58.128 58.200 0.125 0.000 0.813 352 S CB -0.136 63.093 63.200 0.049 0.000 0.813 352 S HN 0.037 nan 8.310 nan 0.000 0.546 353 I N 3.373 124.002 120.570 0.098 0.000 2.493 353 I HA -0.067 4.102 4.170 -0.001 0.000 0.254 353 I C 2.430 178.552 176.117 0.008 0.000 1.160 353 I CA 1.326 62.679 61.300 0.088 0.000 1.445 353 I CB -0.516 37.525 38.000 0.069 0.000 1.086 353 I HN 0.732 nan 8.210 nan 0.000 0.433 354 C N 0.841 120.130 119.300 -0.019 0.000 2.413 354 C HA 0.241 4.700 4.460 -0.001 0.000 0.292 354 C C 2.152 177.044 174.990 -0.165 0.000 1.435 354 C CA -0.068 58.903 59.018 -0.079 0.000 1.791 354 C CB -2.141 25.552 27.740 -0.077 0.000 1.784 354 C HN 0.851 nan 8.230 nan 0.000 0.548 355 G N 0.295 108.972 108.800 -0.205 0.000 2.203 355 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.263 355 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.263 355 G C 0.284 174.957 174.900 -0.379 0.000 1.012 355 G CA 0.704 45.487 45.100 -0.528 0.000 0.749 355 G HN 1.672 nan 8.290 nan 0.000 0.512 356 C N -0.682 118.502 119.300 -0.193 0.000 2.395 356 C HA 0.837 5.297 4.460 -0.001 0.000 0.315 356 C C 0.935 175.827 174.990 -0.163 0.000 1.399 356 C CA -0.073 58.722 59.018 -0.371 0.000 1.788 356 C CB -0.868 26.425 27.740 -0.745 0.000 2.564 356 C HN 0.730 nan 8.230 nan 0.000 0.552 357 S N -0.692 115.121 115.700 0.188 0.000 3.255 357 S HA 0.741 5.211 4.470 -0.001 0.000 0.305 357 S C -0.698 173.951 174.600 0.082 0.000 1.067 357 S CA -0.214 58.035 58.200 0.081 0.000 0.966 357 S CB 1.209 64.365 63.200 -0.073 0.000 1.366 357 S HN 0.396 nan 8.310 nan 0.000 0.717 358 V N 1.982 121.836 119.914 -0.100 0.000 2.716 358 V HA 0.336 4.455 4.120 -0.001 0.000 0.304 358 V C 0.395 176.467 176.094 -0.035 0.000 1.053 358 V CA -0.114 62.152 62.300 -0.057 0.000 0.984 358 V CB 1.522 33.286 31.823 -0.098 0.000 1.021 358 V HN 0.963 nan 8.190 nan 0.000 0.467 359 D N 1.780 122.212 120.400 0.053 0.000 2.106 359 D HA -0.182 4.457 4.640 -0.001 0.000 0.191 359 D C 1.968 178.294 176.300 0.043 0.000 0.997 359 D CA 1.885 55.945 54.000 0.100 0.000 0.834 359 D CB 0.066 40.916 40.800 0.083 0.000 0.956 359 D HN 0.799 nan 8.370 nan 0.000 0.448 360 E N 0.745 120.943 120.200 -0.003 0.000 2.097 360 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 360 E C 2.427 178.995 176.600 -0.053 0.000 1.000 360 E CA 0.669 57.061 56.400 -0.013 0.000 0.804 360 E CB -0.914 28.783 29.700 -0.006 0.000 0.740 360 E HN 0.219 nan 8.360 nan 0.000 0.454 361 V N 1.993 121.819 119.914 -0.147 0.000 2.392 361 V HA -0.229 3.890 4.120 -0.001 0.000 0.249 361 V C 2.331 178.270 176.094 -0.258 0.000 1.059 361 V CA 2.033 64.185 62.300 -0.246 0.000 1.051 361 V CB -0.730 30.840 31.823 -0.422 0.000 0.658 361 V HN 0.337 nan 8.190 nan 0.000 0.455 362 H N -0.336 118.748 119.070 0.025 0.000 2.465 362 H HA 0.114 4.669 4.556 -0.001 0.000 0.289 362 H C 2.486 177.860 175.328 0.078 0.000 1.022 362 H CA 0.793 56.875 56.048 0.058 0.000 1.340 362 H CB -0.066 29.757 29.762 0.101 0.000 1.437 362 H HN 0.380 nan 8.280 nan 0.000 0.539 363 R N 0.731 121.315 120.500 0.139 0.000 2.103 363 R HA -0.068 4.272 4.340 -0.001 0.000 0.242 363 R C 1.485 177.783 176.300 -0.002 0.000 1.142 363 R CA 0.863 57.000 56.100 0.063 0.000 0.960 363 R CB -0.425 29.895 30.300 0.032 0.000 0.858 363 R HN 0.175 nan 8.270 nan 0.000 0.439 368 R N 0.571 120.968 120.500 -0.172 0.000 2.103 368 R HA -0.017 4.323 4.340 -0.001 0.000 0.242 368 R C 2.017 178.251 176.300 -0.110 0.000 1.142 368 R CA 1.894 57.876 56.100 -0.196 0.000 0.960 368 R CB -0.473 29.640 30.300 -0.313 0.000 0.858 368 R HN 0.389 nan 8.270 nan 0.000 0.439 369 F N 0.817 120.705 119.950 -0.104 0.000 2.102 369 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 369 F C 2.490 178.270 175.800 -0.033 0.000 1.105 369 F CA 1.050 59.021 58.000 -0.048 0.000 1.239 369 F CB -0.033 38.900 39.000 -0.112 0.000 0.991 369 F HN 0.109 nan 8.300 nan 0.000 0.474 370 E N 0.060 120.258 120.200 -0.003 0.000 2.110 370 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 370 E C 1.797 178.450 176.600 0.088 0.000 0.988 370 E CA 0.976 57.384 56.400 0.014 0.000 0.804 370 E CB -0.192 29.442 29.700 -0.109 0.000 0.745 370 E HN 0.374 nan 8.360 nan 0.000 0.458 371 N N 0.863 119.586 118.700 0.039 0.000 2.106 371 N HA -0.113 4.626 4.740 -0.001 0.000 0.188 371 N C 1.746 177.291 175.510 0.059 0.000 1.029 371 N CA 1.352 54.425 53.050 0.038 0.000 0.848 371 N CB -0.428 38.056 38.487 -0.004 0.000 1.007 371 N HN 0.113 nan 8.380 nan 0.000 0.423 372 A N 1.018 123.863 122.820 0.041 0.000 1.933 372 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 372 A C 2.145 179.790 177.584 0.101 0.000 1.175 372 A CA 1.704 53.757 52.037 0.026 0.000 0.628 372 A CB -0.789 18.208 19.000 -0.006 0.000 0.814 372 A HN 0.336 nan 8.150 nan 0.000 0.444 373 N N 0.315 119.133 118.700 0.197 0.000 2.120 373 N HA -0.152 4.588 4.740 -0.001 0.000 0.188 373 N C 1.117 176.807 175.510 0.299 0.000 1.024 373 N CA 1.834 55.053 53.050 0.282 0.000 0.852 373 N CB -0.265 38.473 38.487 0.419 0.000 1.003 373 N HN 0.409 nan 8.380 nan 0.000 0.424 374 D N -0.681 119.844 120.400 0.209 0.000 2.144 374 D HA -0.069 4.571 4.640 -0.001 0.000 0.200 374 D C 1.990 178.410 176.300 0.200 0.000 0.978 374 D CA 0.634 54.741 54.000 0.179 0.000 0.833 374 D CB -0.239 40.626 40.800 0.108 0.000 0.961 374 D HN 0.113 nan 8.370 nan 0.000 0.470 375 V N 1.035 121.042 119.914 0.155 0.000 2.358 375 V HA -0.140 3.980 4.120 -0.001 0.000 0.246 375 V C 2.566 178.741 176.094 0.136 0.000 1.047 375 V CA 1.944 64.331 62.300 0.146 0.000 1.035 375 V CB -1.025 30.874 31.823 0.127 0.000 0.658 375 V HN 0.216 nan 8.190 nan 0.000 0.452 376 G N -0.955 107.912 108.800 0.111 0.000 2.459 376 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 376 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 376 G C 1.447 176.369 174.900 0.038 0.000 1.183 376 G CA 1.001 46.136 45.100 0.059 0.000 0.776 376 G HN 0.568 nan 8.290 nan 0.000 0.552 377 H N -0.901 118.212 119.070 0.072 0.000 2.353 377 H HA -0.083 4.473 4.556 -0.001 0.000 0.300 377 H C 2.312 177.671 175.328 0.052 0.000 1.090 377 H CA 1.424 57.507 56.048 0.058 0.000 1.327 377 H CB -0.236 29.570 29.762 0.073 0.000 1.383 377 H HN 0.379 nan 8.280 nan 0.000 0.508 378 F N 1.662 121.656 119.950 0.073 0.000 2.095 378 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 378 F C 2.351 178.108 175.800 -0.070 0.000 1.104 378 F CA 1.208 59.207 58.000 -0.001 0.000 1.232 378 F CB -0.593 38.397 39.000 -0.016 0.000 0.987 378 F HN -0.036 nan 8.300 nan 0.000 0.475 379 L N -0.401 120.744 121.223 -0.130 0.000 2.109 379 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 379 L C 2.767 179.468 176.870 -0.282 0.000 1.086 379 L CA 0.994 55.646 54.840 -0.313 0.000 0.760 379 L CB -1.233 40.580 42.059 -0.409 0.000 0.910 379 L HN 0.243 nan 8.230 nan 0.000 0.437 380 A N -0.023 122.688 122.820 -0.181 0.000 1.902 380 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 380 A C 1.915 179.383 177.584 -0.193 0.000 1.181 380 A CA 1.837 53.779 52.037 -0.158 0.000 0.623 380 A CB -0.432 18.483 19.000 -0.141 0.000 0.818 380 A HN 0.326 nan 8.150 nan 0.000 0.443 381 D N -0.098 120.182 120.400 -0.201 0.000 2.084 381 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 381 D C 1.955 178.095 176.300 -0.267 0.000 0.990 381 D CA 1.263 55.144 54.000 -0.198 0.000 0.826 381 D CB -0.360 40.347 40.800 -0.155 0.000 0.971 381 D HN 0.417 nan 8.370 nan 0.000 0.453 382 E N 0.875 120.824 120.200 -0.419 0.000 2.070 382 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 382 E C 2.109 178.552 176.600 -0.261 0.000 1.004 382 E CA 1.118 57.285 56.400 -0.389 0.000 0.805 382 E CB -0.339 29.042 29.700 -0.532 0.000 0.744 382 E HN 0.229 nan 8.360 nan 0.000 0.451 383 A N 1.060 123.728 122.820 -0.252 0.000 1.908 383 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 383 A C 2.480 179.933 177.584 -0.219 0.000 1.181 383 A CA 2.730 54.644 52.037 -0.205 0.000 0.627 383 A CB -0.914 17.975 19.000 -0.185 0.000 0.818 383 A HN 0.440 nan 8.150 nan 0.000 0.445 384 T N -3.162 111.252 114.554 -0.232 0.000 2.978 384 T HA -0.051 4.298 4.350 -0.001 0.000 0.262 384 T C 2.004 176.624 174.700 -0.133 0.000 1.063 384 T CA 1.049 63.004 62.100 -0.243 0.000 1.140 384 T CB -0.279 68.454 68.868 -0.225 0.000 0.886 384 T HN 0.359 nan 8.240 nan 0.000 0.470 385 R N 0.994 121.418 120.500 -0.126 0.000 2.092 385 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 385 R C 2.392 178.628 176.300 -0.107 0.000 1.119 385 R CA 1.609 57.650 56.100 -0.098 0.000 0.970 385 R CB -0.469 29.764 30.300 -0.112 0.000 0.864 385 R HN 0.561 nan 8.270 nan 0.000 0.440 386 Q N -0.161 119.564 119.800 -0.126 0.000 2.224 386 Q HA -0.108 4.231 4.340 -0.001 0.000 0.203 386 Q C 1.815 177.747 176.000 -0.113 0.000 0.970 386 Q CA 0.986 56.720 55.803 -0.115 0.000 0.865 386 Q CB 0.074 28.745 28.738 -0.112 0.000 0.922 386 Q HN 0.135 nan 8.270 nan 0.000 0.445 387 L N -0.469 120.675 121.223 -0.132 0.000 2.202 387 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 387 L C 2.261 179.042 176.870 -0.148 0.000 1.083 387 L CA 1.786 56.529 54.840 -0.162 0.000 0.790 387 L CB -0.545 41.379 42.059 -0.225 0.000 0.942 387 L HN 0.276 nan 8.230 nan 0.000 0.452 388 T N -4.090 110.422 114.554 -0.069 0.000 2.942 388 T HA -0.120 4.229 4.350 -0.001 0.000 0.265 388 T C 1.749 176.476 174.700 0.044 0.000 1.062 388 T CA 0.955 63.053 62.100 -0.004 0.000 1.139 388 T CB -0.251 68.659 68.868 0.070 0.000 0.883 388 T HN 0.118 nan 8.240 nan 0.000 0.468 389 E N 2.023 122.179 120.200 -0.073 0.000 2.160 389 E HA 0.040 4.389 4.350 -0.001 0.000 0.195 389 E C 2.111 178.586 176.600 -0.208 0.000 0.991 389 E CA 1.189 57.430 56.400 -0.265 0.000 0.810 389 E CB -0.602 28.964 29.700 -0.223 0.000 0.742 389 E HN 0.685 nan 8.360 nan 0.000 0.466 390 A N -0.250 122.529 122.820 -0.068 0.000 2.218 390 A HA 0.164 4.484 4.320 -0.001 0.000 0.209 390 A C 0.759 178.383 177.584 0.066 0.000 1.168 390 A CA -0.130 51.898 52.037 -0.014 0.000 0.804 390 A CB -0.140 18.841 19.000 -0.031 0.000 0.834 390 A HN 0.154 nan 8.150 nan 0.000 0.482 391 I N 0.831 121.467 120.570 0.110 0.000 2.474 391 I HA 0.062 4.231 4.170 -0.001 0.000 0.287 391 I C -0.239 175.963 176.117 0.142 0.000 1.048 391 I CA -0.436 60.926 61.300 0.103 0.000 1.383 391 I CB 0.921 38.917 38.000 -0.007 0.000 1.412 391 I HN 0.042 nan 8.210 nan 0.000 0.531 392 D N 4.663 125.101 120.400 0.063 0.000 2.383 392 D HA 0.038 4.678 4.640 -0.001 0.000 0.245 392 D C 0.976 177.208 176.300 -0.113 0.000 1.263 392 D CA -0.082 53.913 54.000 -0.008 0.000 0.936 392 D CB 0.603 41.395 40.800 -0.014 0.000 1.053 392 D HN 0.628 nan 8.370 nan 0.000 0.507 393 T N -0.936 113.486 114.554 -0.220 0.000 3.054 393 T HA -0.014 4.335 4.350 -0.001 0.000 0.255 393 T C 1.795 176.428 174.700 -0.112 0.000 1.035 393 T CA 0.277 62.289 62.100 -0.146 0.000 0.941 393 T CB -0.191 68.599 68.868 -0.131 0.000 1.026 393 T HN 0.215 nan 8.240 nan 0.000 0.533 394 S N 1.246 116.864 115.700 -0.137 0.000 2.423 394 S HA -0.131 4.338 4.470 -0.001 0.000 0.238 394 S C 1.851 176.380 174.600 -0.119 0.000 1.028 394 S CA 0.929 59.077 58.200 -0.085 0.000 1.000 394 S CB -1.140 62.025 63.200 -0.059 0.000 0.797 394 S HN 0.335 nan 8.310 nan 0.000 0.487 395 V N 0.418 120.188 119.914 -0.240 0.000 2.913 395 V HA 0.126 4.245 4.120 -0.001 0.000 0.260 395 V C 0.333 176.195 176.094 -0.386 0.000 1.098 395 V CA 0.806 62.902 62.300 -0.339 0.000 1.121 395 V CB -0.849 30.699 31.823 -0.458 0.000 0.714 395 V HN 0.443 nan 8.190 nan 0.000 0.487 396 F N 1.988 121.879 119.950 -0.098 0.000 2.389 396 F HA 0.464 4.991 4.527 -0.001 0.000 0.337 396 F C -1.506 174.252 175.800 -0.071 0.000 1.112 396 F CA -2.980 54.968 58.000 -0.087 0.000 1.192 396 F CB -0.054 38.887 39.000 -0.097 0.000 1.185 396 F HN -0.015 nan 8.300 nan 0.000 0.552 397 P HA 0.178 nan 4.420 nan 0.000 0.272 397 P C -0.424 176.895 177.300 0.032 0.000 1.240 397 P CA -0.238 62.891 63.100 0.050 0.000 0.791 397 P CB 0.111 31.833 31.700 0.036 0.000 0.978 398 E N -0.180 120.023 120.200 0.005 0.000 2.492 398 E HA 0.216 4.566 4.350 -0.001 0.000 0.266 398 E C 1.258 177.835 176.600 -0.038 0.000 1.047 398 E CA 1.023 57.415 56.400 -0.014 0.000 0.968 398 E CB -1.192 28.499 29.700 -0.014 0.000 0.960 398 E HN 0.719 nan 8.360 nan 0.000 0.452 399 K N -2.129 118.229 120.400 -0.071 0.000 3.610 399 K HA 0.049 4.368 4.320 -0.001 0.000 0.283 399 K C 1.036 177.484 176.600 -0.253 0.000 1.210 399 K CA 2.027 58.238 56.287 -0.127 0.000 1.026 399 K CB -2.489 29.965 32.500 -0.077 0.000 1.295 399 K HN 2.409 nan 8.250 nan 0.000 0.468 400 A N 1.402 124.110 122.820 -0.186 0.000 2.351 400 A HA 0.594 4.913 4.320 -0.001 0.000 0.257 400 A C 0.108 177.496 177.584 -0.327 0.000 1.087 400 A CA 0.020 51.929 52.037 -0.213 0.000 0.798 400 A CB 0.104 19.059 19.000 -0.075 0.000 1.033 400 A HN 0.677 nan 8.150 nan 0.000 0.488 401 H N 1.676 120.722 119.070 -0.041 0.000 2.691 401 H HA 0.316 4.871 4.556 -0.001 0.000 0.281 401 H C -2.609 172.664 175.328 -0.092 0.000 1.121 401 H CA -1.889 54.130 56.048 -0.048 0.000 1.254 401 H CB 0.345 30.089 29.762 -0.030 0.000 1.390 401 H HN 0.401 nan 8.280 nan 0.000 0.491 402 P HA 0.146 nan 4.420 nan 0.000 0.274 402 P C -0.452 176.854 177.300 0.009 0.000 1.231 402 P CA -0.132 62.772 63.100 -0.328 0.000 0.790 402 P CB 0.608 32.125 31.700 -0.306 0.000 0.951 403 F N -0.873 118.997 119.950 -0.133 0.000 2.662 403 F HA 0.777 5.304 4.527 -0.001 0.000 0.312 403 F C -1.777 174.044 175.800 0.035 0.000 1.113 403 F CA -1.395 56.594 58.000 -0.017 0.000 0.951 403 F CB 0.902 39.902 39.000 -0.000 0.000 1.344 403 F HN 0.003 nan 8.300 nan 0.000 0.462 404 V N 2.645 122.682 119.914 0.206 0.000 2.638 404 V HA 0.504 4.624 4.120 -0.001 0.000 0.306 404 V C -0.624 175.497 176.094 0.045 0.000 1.052 404 V CA -0.741 61.553 62.300 -0.010 0.000 0.885 404 V CB 1.877 33.554 31.823 -0.244 0.000 0.999 404 V HN 0.762 nan 8.190 nan 0.000 0.424 405 L N 4.427 125.650 121.223 0.000 0.000 2.317 405 L HA 0.639 4.978 4.340 -0.001 0.000 0.281 405 L C -1.205 175.596 176.870 -0.115 0.000 1.024 405 L CA -0.276 54.585 54.840 0.034 0.000 0.810 405 L CB 1.603 43.666 42.059 0.007 0.000 1.240 405 L HN 0.482 nan 8.230 nan 0.000 0.427 406 F N 1.451 121.573 119.950 0.287 0.000 2.467 406 F HA 0.314 4.840 4.527 -0.001 0.000 0.336 406 F C 0.384 176.460 175.800 0.461 0.000 1.123 406 F CA -0.761 57.453 58.000 0.357 0.000 0.964 406 F CB 1.422 40.595 39.000 0.289 0.000 1.136 406 F HN 0.381 nan 8.300 nan 0.000 0.447 407 N N 1.671 120.720 118.700 0.583 0.000 2.437 407 N HA 0.093 4.832 4.740 -0.001 0.000 0.243 407 N C 0.246 175.918 175.510 0.271 0.000 1.041 407 N CA 0.217 53.548 53.050 0.469 0.000 0.940 407 N CB 1.260 39.969 38.487 0.370 0.000 1.133 407 N HN 0.635 nan 8.380 nan 0.000 0.506 408 T N 0.795 115.478 114.554 0.215 0.000 3.105 408 T HA 0.115 4.464 4.350 -0.001 0.000 0.253 408 T C 0.455 175.189 174.700 0.057 0.000 1.047 408 T CA -0.049 62.195 62.100 0.241 0.000 0.944 408 T CB -0.141 68.868 68.868 0.235 0.000 1.016 408 T HN 0.635 nan 8.240 nan 0.000 0.544 409 S N -1.213 114.325 115.700 -0.270 0.000 2.767 409 S HA 0.649 5.119 4.470 -0.001 0.000 0.300 409 S C 1.223 175.063 174.600 -1.267 0.000 1.123 409 S CA -0.272 57.666 58.200 -0.437 0.000 0.992 409 S CB 1.378 64.555 63.200 -0.039 0.000 1.138 409 S HN 0.102 nan 8.310 nan 0.000 0.550 410 G N -0.417 107.731 108.800 -1.086 0.000 3.371 410 G HA2 0.405 4.364 3.960 -0.001 0.000 0.248 410 G HA3 0.405 4.364 3.960 -0.001 0.000 0.248 410 G C -0.824 173.493 174.900 -0.971 0.000 1.161 410 G CA -0.133 44.222 45.100 -1.241 0.000 0.796 410 G HN 0.530 nan 8.290 nan 0.000 0.539 411 Y N -0.593 119.571 120.300 -0.228 0.000 2.570 411 Y HA 0.411 4.961 4.550 -0.001 0.000 0.345 411 Y C 0.235 176.084 175.900 -0.085 0.000 1.014 411 Y CA -1.498 56.564 58.100 -0.064 0.000 1.063 411 Y CB 1.086 39.557 38.460 0.019 0.000 1.272 411 Y HN -0.077 nan 8.280 nan 0.000 0.477 412 Q N 2.589 122.468 119.800 0.131 0.000 2.271 412 Q HA 0.143 4.482 4.340 -0.001 0.000 0.273 412 Q C -0.659 175.394 176.000 0.089 0.000 1.051 412 Q CA 0.111 55.963 55.803 0.081 0.000 0.901 412 Q CB 0.742 29.518 28.738 0.064 0.000 1.174 412 Q HN 0.378 nan 8.270 nan 0.000 0.385 413 K N 2.514 122.982 120.400 0.114 0.000 2.274 413 K HA 0.429 4.749 4.320 -0.001 0.000 0.262 413 K C -0.707 176.005 176.600 0.187 0.000 0.961 413 K CA -0.392 55.954 56.287 0.099 0.000 0.833 413 K CB 1.807 34.320 32.500 0.021 0.000 1.102 413 K HN 0.446 nan 8.250 nan 0.000 0.436 414 T N 2.511 117.119 114.554 0.090 0.000 2.840 414 T HA 0.407 4.756 4.350 -0.001 0.000 0.287 414 T C -1.004 173.730 174.700 0.058 0.000 0.991 414 T CA -0.661 61.494 62.100 0.092 0.000 0.964 414 T CB 1.499 70.378 68.868 0.018 0.000 0.954 414 T HN 0.500 nan 8.240 nan 0.000 0.438 415 E N 2.057 122.334 120.200 0.129 0.000 2.400 415 E HA 0.381 4.730 4.350 -0.001 0.000 0.285 415 E C -1.617 175.020 176.600 0.062 0.000 1.005 415 E CA -0.597 55.845 56.400 0.071 0.000 0.816 415 E CB 1.276 31.057 29.700 0.136 0.000 1.220 415 E HN 0.312 nan 8.360 nan 0.000 0.426 416 V N 4.425 124.316 119.914 -0.039 0.000 2.405 416 V HA 0.365 4.484 4.120 -0.001 0.000 0.264 416 V C 0.275 176.369 176.094 -0.000 0.000 1.048 416 V CA -0.065 62.201 62.300 -0.057 0.000 0.966 416 V CB 0.331 32.073 31.823 -0.134 0.000 1.015 416 V HN 0.520 nan 8.190 nan 0.000 0.477 417 V N 2.873 122.806 119.914 0.032 0.000 2.769 417 V HA 0.948 5.068 4.120 -0.001 0.000 0.312 417 V C 0.019 176.117 176.094 0.007 0.000 1.058 417 V CA -0.356 61.983 62.300 0.065 0.000 0.952 417 V CB 2.181 34.089 31.823 0.141 0.000 1.019 417 V HN 0.824 nan 8.190 nan 0.000 0.445 418 T N 0.642 115.197 114.554 0.002 0.000 2.888 418 T HA 0.826 5.175 4.350 -0.001 0.000 0.284 418 T C -0.744 173.902 174.700 -0.089 0.000 1.017 418 T CA -0.680 61.391 62.100 -0.047 0.000 1.022 418 T CB 1.571 70.418 68.868 -0.035 0.000 1.013 418 T HN 1.047 nan 8.240 nan 0.000 0.465 419 V N 2.174 121.976 119.914 -0.187 0.000 2.686 419 V HA 0.476 4.596 4.120 -0.001 0.000 0.306 419 V C -0.325 175.601 176.094 -0.280 0.000 1.065 419 V CA -0.871 61.259 62.300 -0.284 0.000 0.894 419 V CB 1.785 33.251 31.823 -0.595 0.000 1.004 419 V HN 1.054 nan 8.190 nan 0.000 0.424 420 E N 3.164 123.245 120.200 -0.197 0.000 2.146 420 E HA 0.591 4.941 4.350 -0.001 0.000 0.282 420 E C -1.481 175.044 176.600 -0.124 0.000 0.989 420 E CA -0.335 55.980 56.400 -0.142 0.000 0.799 420 E CB 1.699 31.330 29.700 -0.115 0.000 1.088 420 E HN 0.510 nan 8.360 nan 0.000 0.397 421 V N 4.550 124.377 119.914 -0.145 0.000 2.448 421 V HA 0.197 4.316 4.120 -0.001 0.000 0.295 421 V C 0.113 176.099 176.094 -0.180 0.000 1.025 421 V CA -0.855 61.342 62.300 -0.172 0.000 0.859 421 V CB 1.564 33.220 31.823 -0.278 0.000 0.988 421 V HN 0.712 nan 8.190 nan 0.000 0.431 422 E N 3.206 123.284 120.200 -0.203 0.000 2.376 422 E HA 0.192 4.541 4.350 -0.001 0.000 0.266 422 E C 0.253 176.467 176.600 -0.643 0.000 1.009 422 E CA 0.066 56.173 56.400 -0.488 0.000 0.902 422 E CB 0.985 30.433 29.700 -0.419 0.000 0.972 422 E HN 0.750 nan 8.360 nan 0.000 0.439 423 I N 2.157 122.357 120.570 -0.616 0.000 4.244 423 I HA 0.153 4.322 4.170 -0.001 0.000 0.318 423 I C 0.008 175.949 176.117 -0.294 0.000 1.282 423 I CA 0.499 61.436 61.300 -0.605 0.000 1.276 423 I CB 0.590 38.320 38.000 -0.451 0.000 1.183 423 I HN 0.553 nan 8.210 nan 0.000 0.431 424 E N 1.066 121.099 120.200 -0.280 0.000 2.390 424 E HA 0.671 5.020 4.350 -0.001 0.000 0.280 424 E C -1.119 175.345 176.600 -0.227 0.000 0.992 424 E CA -0.820 55.481 56.400 -0.165 0.000 0.790 424 E CB 1.709 31.359 29.700 -0.083 0.000 1.248 424 E HN 0.211 nan 8.360 nan 0.000 0.447 425 R N 0.836 121.229 120.500 -0.178 0.000 2.564 425 R HA 0.669 5.008 4.340 -0.001 0.000 0.284 425 R C -2.067 174.164 176.300 -0.115 0.000 1.031 425 R CA -0.604 55.363 56.100 -0.221 0.000 0.904 425 R CB 1.191 31.267 30.300 -0.374 0.000 1.199 425 R HN 0.427 nan 8.270 nan 0.000 0.443 426 L N 6.358 127.564 121.223 -0.029 0.000 2.345 426 L HA 0.542 4.881 4.340 -0.001 0.000 0.274 426 L C -2.338 174.560 176.870 0.046 0.000 0.999 426 L CA -2.339 52.504 54.840 0.005 0.000 0.849 426 L CB 1.479 43.568 42.059 0.050 0.000 1.220 426 L HN 0.615 nan 8.230 nan 0.000 0.422 427 P HA 0.151 nan 4.420 nan 0.000 0.271 427 P C 0.805 178.065 177.300 -0.068 0.000 1.218 427 P CA -0.329 62.628 63.100 -0.239 0.000 0.780 427 P CB 0.487 31.618 31.700 -0.948 0.000 0.901 428 F N 0.912 120.785 119.950 -0.128 0.000 2.236 428 F HA -0.159 4.368 4.527 -0.001 0.000 0.302 428 F C 1.989 177.798 175.800 0.015 0.000 1.073 428 F CA 1.148 59.145 58.000 -0.006 0.000 1.336 428 F CB -1.643 37.403 39.000 0.077 0.000 1.040 428 F HN 0.440 nan 8.300 nan 0.000 0.507 429 Y N -2.685 117.774 120.300 0.266 0.000 2.578 429 Y HA 0.089 4.639 4.550 -0.001 0.000 0.297 429 Y C 1.771 177.740 175.900 0.116 0.000 1.176 429 Y CA 0.727 58.922 58.100 0.158 0.000 1.315 429 Y CB -1.274 37.261 38.460 0.125 0.000 1.031 429 Y HN -0.155 nan 8.280 nan 0.000 0.524 430 T N -0.305 114.324 114.554 0.124 0.000 3.009 430 T HA 0.392 4.742 4.350 -0.001 0.000 0.258 430 T C 0.910 175.670 174.700 0.101 0.000 1.063 430 T CA 0.859 63.041 62.100 0.137 0.000 1.139 430 T CB 0.021 68.914 68.868 0.042 0.000 0.890 430 T HN 0.614 nan 8.240 nan 0.000 0.471 431 G N 0.014 108.853 108.800 0.065 0.000 2.554 431 G HA2 0.531 4.491 3.960 -0.001 0.000 0.306 431 G HA3 0.531 4.491 3.960 -0.001 0.000 0.306 431 G C -1.311 173.580 174.900 -0.015 0.000 1.320 431 G CA -0.430 44.692 45.100 0.036 0.000 0.800 431 G HN 0.252 nan 8.290 nan 0.000 0.481 432 K N 0.379 120.761 120.400 -0.031 0.000 2.451 432 K HA 0.508 4.827 4.320 -0.001 0.000 0.280 432 K C -1.367 175.144 176.600 -0.148 0.000 1.020 432 K CA -0.334 55.900 56.287 -0.089 0.000 1.008 432 K CB -0.184 32.286 32.500 -0.050 0.000 0.917 432 K HN 0.267 nan 8.250 nan 0.000 0.478 433 P HA -0.273 nan 4.420 nan 0.000 0.216 433 P C 1.046 178.252 177.300 -0.156 0.000 1.150 433 P CA 1.744 64.574 63.100 -0.450 0.000 0.843 433 P CB 0.234 31.386 31.700 -0.913 0.000 0.787 434 E N -0.674 119.462 120.200 -0.107 0.000 2.204 434 E HA -0.192 4.157 4.350 -0.001 0.000 0.195 434 E C 1.119 177.810 176.600 0.153 0.000 0.990 434 E CA 1.119 57.523 56.400 0.008 0.000 0.821 434 E CB -0.807 28.910 29.700 0.027 0.000 0.750 434 E HN 0.223 nan 8.360 nan 0.000 0.477 435 D N 0.903 121.363 120.400 0.099 0.000 2.213 435 D HA 0.018 4.658 4.640 -0.001 0.000 0.205 435 D C 2.142 178.515 176.300 0.122 0.000 0.961 435 D CA 0.510 54.590 54.000 0.132 0.000 0.853 435 D CB 0.090 40.932 40.800 0.070 0.000 0.967 435 D HN 0.251 nan 8.370 nan 0.000 0.496 436 L N -0.061 121.213 121.223 0.085 0.000 2.093 436 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 436 L C 2.465 179.400 176.870 0.109 0.000 1.085 436 L CA 0.881 55.774 54.840 0.088 0.000 0.755 436 L CB -0.474 41.638 42.059 0.088 0.000 0.904 436 L HN 0.042 nan 8.230 nan 0.000 0.435 437 Y N 0.380 120.668 120.300 -0.020 0.000 2.114 437 Y HA -0.291 4.259 4.550 -0.001 0.000 0.284 437 Y C 2.891 178.725 175.900 -0.111 0.000 1.143 437 Y CA 1.804 59.854 58.100 -0.084 0.000 1.135 437 Y CB -0.246 38.098 38.460 -0.193 0.000 0.980 437 Y HN 0.173 nan 8.280 nan 0.000 0.499 438 H N -0.201 118.955 119.070 0.143 0.000 2.462 438 H HA -0.102 4.453 4.556 -0.001 0.000 0.292 438 H C 2.151 177.471 175.328 -0.012 0.000 1.049 438 H CA 1.457 57.533 56.048 0.047 0.000 1.334 438 H CB -0.178 29.645 29.762 0.102 0.000 1.404 438 H HN 0.575 nan 8.280 nan 0.000 0.544 439 E N 0.499 120.761 120.200 0.104 0.000 2.023 439 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 439 E C 1.954 178.556 176.600 0.004 0.000 1.003 439 E CA 0.780 57.211 56.400 0.052 0.000 0.809 439 E CB 0.143 29.871 29.700 0.046 0.000 0.755 439 E HN 0.091 nan 8.360 nan 0.000 0.449 440 L N 1.170 122.372 121.223 -0.036 0.000 2.046 440 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 440 L C 2.386 179.193 176.870 -0.104 0.000 1.077 440 L CA 1.723 56.521 54.840 -0.070 0.000 0.747 440 L CB -0.748 41.258 42.059 -0.089 0.000 0.896 440 L HN 0.065 nan 8.230 nan 0.000 0.432 441 K N -0.995 119.297 120.400 -0.179 0.000 2.148 441 K HA -0.169 4.150 4.320 -0.001 0.000 0.204 441 K C 2.205 178.774 176.600 -0.052 0.000 1.050 441 K CA 1.494 57.676 56.287 -0.174 0.000 0.942 441 K CB 0.093 32.412 32.500 -0.301 0.000 0.724 441 K HN 0.441 nan 8.250 nan 0.000 0.446 442 Q N 1.273 121.067 119.800 -0.009 0.000 2.123 442 Q HA -0.003 4.337 4.340 -0.001 0.000 0.196 442 Q C 0.752 176.754 176.000 0.004 0.000 0.958 442 Q CA 1.254 57.066 55.803 0.015 0.000 0.841 442 Q CB -0.550 28.209 28.738 0.035 0.000 0.915 442 Q HN 0.355 nan 8.270 nan 0.000 0.455 443 K N 1.013 121.413 120.400 -0.000 0.000 2.543 443 K HA 0.252 4.571 4.320 -0.001 0.000 0.279 443 K C -0.089 176.514 176.600 0.005 0.000 1.001 443 K CA 0.231 56.520 56.287 0.003 0.000 1.088 443 K CB 0.193 32.694 32.500 0.001 0.000 0.863 443 K HN 0.573 nan 8.250 nan 0.000 0.488 444 A N 3.742 126.568 122.820 0.010 0.000 2.351 444 A HA 0.263 4.582 4.320 -0.001 0.000 0.257 444 A C -0.430 177.169 177.584 0.025 0.000 1.087 444 A CA -0.326 51.719 52.037 0.013 0.000 0.798 444 A CB 0.727 19.733 19.000 0.009 0.000 1.033 444 A HN 0.738 nan 8.150 nan 0.000 0.488 445 T N 3.570 118.146 114.554 0.037 0.000 2.770 445 T HA 0.526 4.876 4.350 -0.001 0.000 0.283 445 T C -2.333 172.408 174.700 0.069 0.000 0.988 445 T CA -0.601 61.546 62.100 0.079 0.000 0.957 445 T CB 0.889 69.815 68.868 0.096 0.000 0.930 445 T HN 0.574 nan 8.240 nan 0.000 0.443 446 P HA 0.138 nan 4.420 nan 0.000 0.269 446 P C -0.193 177.049 177.300 -0.097 0.000 1.211 446 P CA -0.370 62.662 63.100 -0.114 0.000 0.781 446 P CB 0.459 31.959 31.700 -0.333 0.000 0.877 447 D N 0.022 120.337 120.400 -0.141 0.000 2.339 447 D HA 0.197 4.837 4.640 -0.001 0.000 0.245 447 D C -1.036 175.132 176.300 -0.221 0.000 1.115 447 D CA 0.252 54.211 54.000 -0.068 0.000 0.917 447 D CB 0.206 40.974 40.800 -0.054 0.000 1.192 447 D HN 0.184 nan 8.370 nan 0.000 0.428 448 Y N 0.223 120.519 120.300 -0.007 0.000 2.545 448 Y HA 0.328 4.878 4.550 -0.001 0.000 0.348 448 Y C 0.062 175.959 175.900 -0.005 0.000 1.002 448 Y CA -0.863 57.240 58.100 0.005 0.000 1.039 448 Y CB 1.904 40.374 38.460 0.016 0.000 1.271 448 Y HN 0.252 nan 8.280 nan 0.000 0.467 449 Q N 1.866 121.772 119.800 0.177 0.000 2.365 449 Q HA 0.668 5.008 4.340 -0.001 0.000 0.269 449 Q C -1.840 174.239 176.000 0.132 0.000 1.061 449 Q CA -0.993 54.869 55.803 0.099 0.000 0.816 449 Q CB 2.471 31.239 28.738 0.050 0.000 1.325 449 Q HN 0.661 nan 8.270 nan 0.000 0.446 450 V N 5.397 125.373 119.914 0.103 0.000 2.539 450 V HA 0.694 4.814 4.120 -0.001 0.000 0.292 450 V C -0.618 175.559 176.094 0.139 0.000 1.045 450 V CA -0.293 62.095 62.300 0.147 0.000 0.945 450 V CB 0.899 32.833 31.823 0.185 0.000 0.993 450 V HN 0.762 nan 8.190 nan 0.000 0.464 451 I N 2.853 123.523 120.570 0.167 0.000 2.934 451 I HA 0.738 4.907 4.170 -0.001 0.000 0.306 451 I C -0.632 175.642 176.117 0.261 0.000 1.110 451 I CA -0.907 60.503 61.300 0.183 0.000 1.019 451 I CB 2.077 40.169 38.000 0.153 0.000 1.227 451 I HN 0.715 nan 8.210 nan 0.000 0.434 452 D N 3.082 123.602 120.400 0.200 0.000 2.478 452 D HA 0.416 5.055 4.640 -0.001 0.000 0.269 452 D C -2.165 174.176 176.300 0.068 0.000 1.232 452 D CA -2.100 51.947 54.000 0.079 0.000 1.059 452 D CB 0.046 40.833 40.800 -0.023 0.000 1.104 452 D HN 0.285 nan 8.370 nan 0.000 0.566 453 P HA -0.100 nan 4.420 nan 0.000 0.218 453 P C 1.381 178.521 177.300 -0.267 0.000 1.149 453 P CA 2.409 65.256 63.100 -0.422 0.000 0.817 453 P CB -0.174 31.285 31.700 -0.402 0.000 0.785 454 T N -4.641 109.824 114.554 -0.149 0.000 2.995 454 T HA 0.127 4.477 4.350 -0.001 0.000 0.269 454 T C 1.594 176.255 174.700 -0.066 0.000 1.091 454 T CA 1.336 63.375 62.100 -0.103 0.000 1.128 454 T CB -0.818 68.009 68.868 -0.069 0.000 0.891 454 T HN 0.237 nan 8.240 nan 0.000 0.492 455 G N 0.040 108.822 108.800 -0.031 0.000 2.192 455 G HA2 0.093 4.052 3.960 -0.001 0.000 0.193 455 G HA3 0.093 4.052 3.960 -0.001 0.000 0.193 455 G C 0.290 175.208 174.900 0.030 0.000 0.999 455 G CA 0.401 45.509 45.100 0.013 0.000 0.659 455 G HN 0.998 nan 8.290 nan 0.000 0.503 456 K N 0.245 120.659 120.400 0.024 0.000 2.319 456 K HA 0.840 5.159 4.320 -0.001 0.000 0.265 456 K C 0.668 177.303 176.600 0.058 0.000 1.000 456 K CA 0.819 57.125 56.287 0.032 0.000 0.943 456 K CB 0.366 32.882 32.500 0.026 0.000 0.950 456 K HN 1.965 nan 8.250 nan 0.000 0.485 457 A N 0.607 123.455 122.820 0.046 0.000 2.316 457 A HA 0.604 4.923 4.320 -0.001 0.000 0.284 457 A C -0.455 177.162 177.584 0.055 0.000 1.115 457 A CA -0.443 51.624 52.037 0.049 0.000 0.812 457 A CB 0.714 19.728 19.000 0.022 0.000 1.064 457 A HN 0.831 nan 8.150 nan 0.000 0.489 458 V N 2.045 121.996 119.914 0.061 0.000 2.407 458 V HA 0.533 4.653 4.120 -0.001 0.000 0.291 458 V C 0.724 176.800 176.094 -0.031 0.000 1.018 458 V CA -0.492 61.845 62.300 0.061 0.000 0.842 458 V CB 1.048 32.951 31.823 0.133 0.000 0.996 458 V HN 1.249 nan 8.190 nan 0.000 0.426 459 A N 4.605 127.384 122.820 -0.068 0.000 2.565 459 A HA 0.547 4.867 4.320 -0.001 0.000 0.237 459 A C 0.667 177.941 177.584 -0.518 0.000 1.053 459 A CA 0.965 52.819 52.037 -0.305 0.000 0.755 459 A CB -0.012 18.855 19.000 -0.221 0.000 0.980 459 A HN 1.420 nan 8.150 nan 0.000 0.506 460 S N 1.813 117.049 115.700 -0.774 0.000 2.752 460 S HA 0.853 5.322 4.470 -0.001 0.000 0.284 460 S C -0.684 173.607 174.600 -0.516 0.000 1.189 460 S CA -0.854 57.019 58.200 -0.545 0.000 0.835 460 S CB 1.421 64.518 63.200 -0.172 0.000 1.192 460 S HN 1.169 nan 8.310 nan 0.000 0.506 461 R N -0.282 120.144 120.500 -0.124 0.000 2.566 461 R HA 0.566 4.905 4.340 -0.001 0.000 0.271 461 R C -2.124 174.179 176.300 0.005 0.000 1.071 461 R CA -0.712 55.376 56.100 -0.020 0.000 0.915 461 R CB 1.191 31.577 30.300 0.143 0.000 1.228 461 R HN 0.660 nan 8.270 nan 0.000 0.449 462 I N 4.447 125.018 120.570 0.002 0.000 2.322 462 I HA 0.069 4.239 4.170 -0.001 0.000 0.292 462 I C 1.078 177.198 176.117 0.004 0.000 1.060 462 I CA 0.153 61.452 61.300 -0.002 0.000 1.309 462 I CB 1.671 39.679 38.000 0.013 0.000 1.415 462 I HN 0.508 nan 8.210 nan 0.000 0.492 463 V N 5.340 125.250 119.914 -0.007 0.000 2.331 463 V HA 0.106 4.225 4.120 -0.001 0.000 0.242 463 V C 1.088 177.177 176.094 -0.007 0.000 1.034 463 V CA 1.691 63.989 62.300 -0.003 0.000 1.027 463 V CB -0.974 30.843 31.823 -0.010 0.000 0.667 463 V HN 0.736 nan 8.190 nan 0.000 0.457 464 K N -0.393 119.997 120.400 -0.016 0.000 2.546 464 K HA 0.770 5.089 4.320 -0.001 0.000 0.264 464 K C -0.642 175.950 176.600 -0.013 0.000 0.937 464 K CA -0.041 56.239 56.287 -0.012 0.000 0.833 464 K CB 0.979 33.470 32.500 -0.015 0.000 1.378 464 K HN 0.414 nan 8.250 nan 0.000 0.432 465 E N 0.860 121.058 120.200 -0.003 0.000 2.204 465 E HA 0.654 5.003 4.350 -0.001 0.000 0.276 465 E C -1.099 175.512 176.600 0.017 0.000 0.974 465 E CA -0.399 56.003 56.400 0.003 0.000 0.815 465 E CB 1.556 31.257 29.700 0.001 0.000 1.119 465 E HN 0.753 nan 8.360 nan 0.000 0.393 466 D N -0.233 120.199 120.400 0.053 0.000 2.756 466 D HA 0.533 5.172 4.640 -0.001 0.000 0.226 466 D C -1.651 174.728 176.300 0.132 0.000 1.186 466 D CA -0.351 53.692 54.000 0.073 0.000 0.845 466 D CB 2.239 43.068 40.800 0.049 0.000 1.610 466 D HN 0.348 nan 8.370 nan 0.000 0.465 467 V N 4.091 124.049 119.914 0.074 0.000 2.444 467 V HA 0.693 4.813 4.120 -0.001 0.000 0.294 467 V C -0.128 176.063 176.094 0.161 0.000 1.022 467 V CA -0.534 61.793 62.300 0.044 0.000 0.850 467 V CB 1.304 33.007 31.823 -0.200 0.000 0.992 467 V HN 0.680 nan 8.190 nan 0.000 0.426 468 R N 3.967 124.649 120.500 0.304 0.000 2.747 468 R HA 0.550 4.890 4.340 -0.001 0.000 0.272 468 R C -1.409 175.131 176.300 0.401 0.000 1.032 468 R CA -0.809 55.524 56.100 0.388 0.000 0.896 468 R CB 1.486 31.956 30.300 0.284 0.000 1.253 468 R HN 0.433 nan 8.270 nan 0.000 0.461 469 F N 0.696 120.784 119.950 0.229 0.000 2.459 469 F HA 0.631 5.157 4.527 -0.001 0.000 0.346 469 F C -0.028 175.782 175.800 0.017 0.000 1.128 469 F CA 1.282 59.365 58.000 0.139 0.000 1.268 469 F CB 1.254 40.321 39.000 0.111 0.000 1.161 469 F HN 0.793 nan 8.300 nan 0.000 0.583 470 G N 3.600 111.504 108.800 -1.493 0.000 2.649 470 G HA2 0.557 4.517 3.960 -0.001 0.000 0.290 470 G HA3 0.557 4.517 3.960 -0.001 0.000 0.290 470 G C -2.325 171.335 174.900 -2.067 0.000 1.426 470 G CA -0.465 43.739 45.100 -1.494 0.000 0.794 470 G HN 1.120 nan 8.290 nan 0.000 0.483 471 Y N -1.218 118.300 120.300 -1.303 0.000 2.565 471 Y HA 0.745 5.294 4.550 -0.001 0.000 0.330 471 Y C -1.506 174.318 175.900 -0.126 0.000 1.150 471 Y CA -1.197 56.486 58.100 -0.695 0.000 1.055 471 Y CB 1.486 39.647 38.460 -0.499 0.000 1.337 471 Y HN 0.505 nan 8.280 nan 0.000 0.457 472 D N 1.263 121.707 120.400 0.073 0.000 2.726 472 D HA 0.791 5.430 4.640 -0.001 0.000 0.241 472 D C 0.059 176.407 176.300 0.079 0.000 1.150 472 D CA 0.395 54.411 54.000 0.027 0.000 1.089 472 D CB 0.994 41.849 40.800 0.091 0.000 1.260 472 D HN 0.818 nan 8.370 nan 0.000 0.637 473 L N -0.545 120.713 121.223 0.057 0.000 2.606 473 L HA 0.877 5.217 4.340 -0.001 0.000 0.255 473 L C -1.899 175.006 176.870 0.057 0.000 1.501 473 L CA -0.633 54.248 54.840 0.069 0.000 1.593 473 L CB -1.401 40.690 42.059 0.053 0.000 2.049 473 L HN 0.464 nan 8.230 nan 0.000 0.576 481 P HA 0.571 nan 4.420 nan 0.000 0.290 481 P C -1.075 175.856 177.300 -0.615 0.000 1.275 481 P CA -0.154 62.589 63.100 -0.595 0.000 0.841 481 P CB 0.930 32.083 31.700 -0.911 0.000 1.042 485 K N 0.957 121.121 120.400 -0.394 0.000 2.292 485 K HA 0.739 5.058 4.320 -0.001 0.000 0.257 485 K C -1.872 174.449 176.600 -0.466 0.000 0.940 485 K CA -0.374 55.748 56.287 -0.275 0.000 0.811 485 K CB 0.986 33.390 32.500 -0.160 0.000 1.120 485 K HN 0.626 nan 8.250 nan 0.000 0.428 486 Y N 3.035 123.269 120.300 -0.110 0.000 2.499 486 Y HA 0.446 4.995 4.550 -0.001 0.000 0.347 486 Y C -0.426 175.378 175.900 -0.159 0.000 0.987 486 Y CA -1.048 56.963 58.100 -0.148 0.000 1.044 486 Y CB 1.755 40.150 38.460 -0.108 0.000 1.245 486 Y HN 0.235 nan 8.280 nan 0.000 0.461 487 L N 2.079 123.268 121.223 -0.057 0.000 2.346 487 L HA 0.597 4.936 4.340 -0.001 0.000 0.274 487 L C -0.523 176.284 176.870 -0.106 0.000 1.007 487 L CA -0.744 54.032 54.840 -0.107 0.000 0.818 487 L CB 2.190 44.116 42.059 -0.221 0.000 1.284 487 L HN 0.627 nan 8.230 nan 0.000 0.424 488 T N 2.305 116.807 114.554 -0.087 0.000 2.756 488 T HA 0.443 4.793 4.350 -0.001 0.000 0.290 488 T C -0.225 174.413 174.700 -0.102 0.000 0.985 488 T CA -0.365 61.675 62.100 -0.101 0.000 0.955 488 T CB 1.233 70.058 68.868 -0.070 0.000 0.930 488 T HN 0.207 nan 8.240 nan 0.000 0.451 489 V N 3.457 123.282 119.914 -0.149 0.000 2.398 489 V HA 0.410 4.529 4.120 -0.001 0.000 0.286 489 V C 0.407 176.452 176.094 -0.082 0.000 1.026 489 V CA -1.051 61.178 62.300 -0.119 0.000 0.868 489 V CB 1.538 33.262 31.823 -0.164 0.000 0.982 489 V HN 0.804 nan 8.190 nan 0.000 0.443 490 E N 3.481 123.682 120.200 0.001 0.000 2.289 490 E HA 0.573 4.923 4.350 -0.001 0.000 0.278 490 E C -1.279 175.404 176.600 0.138 0.000 1.032 490 E CA -0.284 56.157 56.400 0.068 0.000 0.854 490 E CB 1.073 30.858 29.700 0.142 0.000 1.046 490 E HN 0.552 nan 8.360 nan 0.000 0.409 491 L N 2.379 123.655 121.223 0.089 0.000 2.388 491 L HA 0.326 4.666 4.340 -0.001 0.000 0.264 491 L C -0.522 176.385 176.870 0.062 0.000 0.998 491 L CA -0.627 54.274 54.840 0.101 0.000 0.817 491 L CB 2.266 44.270 42.059 -0.093 0.000 1.338 491 L HN 0.372 nan 8.230 nan 0.000 0.414 492 S N 1.842 117.599 115.700 0.095 0.000 2.448 492 S HA 0.615 5.084 4.470 -0.001 0.000 0.320 492 S C -0.824 173.779 174.600 0.005 0.000 1.071 492 S CA -0.499 57.691 58.200 -0.017 0.000 1.113 492 S CB 0.720 63.851 63.200 -0.114 0.000 0.972 492 S HN 0.286 nan 8.310 nan 0.000 0.465 493 V N 6.477 126.394 119.914 0.005 0.000 2.398 493 V HA 0.533 4.652 4.120 -0.001 0.000 0.286 493 V C 0.037 176.179 176.094 0.080 0.000 1.026 493 V CA -0.687 61.624 62.300 0.018 0.000 0.868 493 V CB 1.614 33.394 31.823 -0.071 0.000 0.982 493 V HN 0.797 nan 8.190 nan 0.000 0.443 494 K N 4.585 125.031 120.400 0.076 0.000 2.502 494 K HA 0.501 4.821 4.320 -0.001 0.000 0.254 494 K C -0.121 176.530 176.600 0.084 0.000 0.947 494 K CA -0.311 56.021 56.287 0.076 0.000 0.834 494 K CB 1.230 33.766 32.500 0.061 0.000 1.112 494 K HN 0.883 nan 8.250 nan 0.000 0.427 498 P HA 0.339 nan 4.420 nan 0.000 0.267 498 P C -0.134 177.074 177.300 -0.153 0.000 1.201 498 P CA 0.689 63.605 63.100 -0.308 0.000 0.775 498 P CB -0.156 31.275 31.700 -0.448 0.000 0.854 499 F N -0.959 119.000 119.950 0.015 0.000 2.829 499 F HA -0.218 4.308 4.527 -0.001 0.000 0.237 499 F C 0.847 176.718 175.800 0.118 0.000 1.017 499 F CA 1.246 59.297 58.000 0.085 0.000 0.882 499 F CB -2.478 36.543 39.000 0.035 0.000 0.795 499 F HN 0.301 nan 8.300 nan 0.000 0.848 500 S N -0.542 115.318 115.700 0.266 0.000 2.651 500 S HA 0.888 5.358 4.470 -0.001 0.000 0.279 500 S C -1.017 173.739 174.600 0.261 0.000 1.148 500 S CA -0.506 57.765 58.200 0.118 0.000 0.837 500 S CB 2.653 65.833 63.200 -0.033 0.000 1.138 500 S HN 0.814 nan 8.310 nan 0.000 0.478 501 W N 0.549 121.890 121.300 0.068 0.000 3.033 501 W HA 0.864 5.523 4.660 -0.001 0.000 0.336 501 W C -1.900 174.533 176.519 -0.143 0.000 1.173 501 W CA -0.640 56.622 57.345 -0.139 0.000 1.185 501 W CB 0.765 29.953 29.460 -0.453 0.000 1.425 501 W HN 0.526 nan 8.180 nan 0.000 0.536 502 D N 1.364 121.826 120.400 0.103 0.000 2.738 502 D HA 0.463 5.103 4.640 -0.001 0.000 0.237 502 D C -0.988 175.201 176.300 -0.186 0.000 1.123 502 D CA -0.551 53.403 54.000 -0.075 0.000 0.856 502 D CB 2.403 43.129 40.800 -0.122 0.000 1.552 502 D HN 0.333 nan 8.370 nan 0.000 0.480 503 S N 0.728 116.202 115.700 -0.378 0.000 2.549 503 S HA 0.762 5.232 4.470 -0.001 0.000 0.297 503 S C -0.715 173.428 174.600 -0.762 0.000 1.115 503 S CA -0.548 57.459 58.200 -0.320 0.000 1.059 503 S CB 0.792 64.014 63.200 0.036 0.000 1.046 503 S HN 0.271 nan 8.310 nan 0.000 0.506 504 F N 0.121 119.736 119.950 -0.558 0.000 2.643 504 F HA 0.762 5.288 4.527 -0.001 0.000 0.314 504 F C 0.010 175.014 175.800 -1.325 0.000 1.096 504 F CA -0.904 56.619 58.000 -0.796 0.000 0.953 504 F CB 1.638 40.020 39.000 -1.029 0.000 1.345 504 F HN 0.669 nan 8.300 nan 0.000 0.468 505 A N 1.241 123.636 122.820 -0.708 0.000 2.498 505 A HA 0.812 5.131 4.320 -0.001 0.000 0.298 505 A C -2.264 175.311 177.584 -0.016 0.000 1.075 505 A CA -0.693 50.979 52.037 -0.608 0.000 0.714 505 A CB 1.751 20.123 19.000 -1.046 0.000 1.299 505 A HN 0.668 nan 8.150 nan 0.000 0.407 506 L N 2.414 123.733 121.223 0.160 0.000 2.272 506 L HA 0.653 4.992 4.340 -0.001 0.000 0.289 506 L C -0.891 176.127 176.870 0.247 0.000 1.032 506 L CA -0.305 54.679 54.840 0.240 0.000 0.810 506 L CB 0.839 43.013 42.059 0.191 0.000 1.205 506 L HN 0.617 nan 8.230 nan 0.000 0.422 507 I N 3.802 124.540 120.570 0.280 0.000 2.647 507 I HA 0.328 4.498 4.170 -0.001 0.000 0.295 507 I C -0.354 175.883 176.117 0.200 0.000 1.078 507 I CA -0.571 60.850 61.300 0.201 0.000 1.048 507 I CB 2.344 40.398 38.000 0.090 0.000 1.239 507 I HN 0.663 nan 8.210 nan 0.000 0.421 508 Q N 3.566 123.361 119.800 -0.007 0.000 2.337 508 Q HA 0.529 4.868 4.340 -0.001 0.000 0.270 508 Q C 0.194 176.089 176.000 -0.175 0.000 1.002 508 Q CA 0.097 55.692 55.803 -0.348 0.000 0.888 508 Q CB 1.163 29.681 28.738 -0.366 0.000 1.222 508 Q HN 0.898 nan 8.270 nan 0.000 0.400 509 G N -0.033 108.652 108.800 -0.191 0.000 2.369 509 G HA2 0.274 4.233 3.960 -0.001 0.000 0.293 509 G HA3 0.274 4.233 3.960 -0.001 0.000 0.293 509 G C -1.539 173.318 174.900 -0.072 0.000 1.301 509 G CA -0.530 44.513 45.100 -0.096 0.000 0.913 509 G HN 0.614 nan 8.290 nan 0.000 0.540 510 E N -0.067 120.105 120.200 -0.047 0.000 2.217 510 E HA 0.601 4.950 4.350 -0.001 0.000 0.279 510 E C 0.642 177.225 176.600 -0.029 0.000 1.068 510 E CA 0.267 56.645 56.400 -0.038 0.000 0.882 510 E CB 0.466 30.146 29.700 -0.033 0.000 1.039 510 E HN 1.029 nan 8.360 nan 0.000 0.418 511 T N 2.690 117.228 114.554 -0.026 0.000 2.891 511 T HA 0.014 4.364 4.350 -0.001 0.000 0.296 511 T C 0.450 175.106 174.700 -0.073 0.000 1.025 511 T CA 0.589 62.663 62.100 -0.043 0.000 1.149 511 T CB 0.104 68.944 68.868 -0.047 0.000 1.007 511 T HN 0.526 nan 8.240 nan 0.000 0.528 512 K N 3.197 123.537 120.400 -0.099 0.000 2.292 512 K HA 0.466 4.785 4.320 -0.001 0.000 0.290 512 K C 0.172 176.642 176.600 -0.217 0.000 1.083 512 K CA -0.645 55.572 56.287 -0.116 0.000 0.918 512 K CB 0.251 32.698 32.500 -0.088 0.000 1.089 512 K HN 0.675 nan 8.250 nan 0.000 0.473 513 A N 4.303 127.025 122.820 -0.164 0.000 2.386 513 A HA 0.280 4.599 4.320 -0.001 0.000 0.248 513 A C -0.505 176.970 177.584 -0.182 0.000 1.082 513 A CA -0.389 51.535 52.037 -0.190 0.000 0.789 513 A CB 0.038 18.999 19.000 -0.065 0.000 1.025 513 A HN 0.661 nan 8.150 nan 0.000 0.490 514 F N 0.669 120.620 119.950 0.001 0.000 2.518 514 F HA 0.298 4.825 4.527 -0.001 0.000 0.359 514 F C 1.017 176.817 175.800 -0.000 0.000 1.118 514 F CA 0.769 58.769 58.000 -0.001 0.000 1.287 514 F CB 0.524 39.521 39.000 -0.005 0.000 1.132 514 F HN 0.593 nan 8.300 nan 0.000 0.587 515 E N 0.373 120.695 120.200 0.203 0.000 2.256 515 E HA 0.714 5.063 4.350 -0.001 0.000 0.267 515 E C -0.018 176.630 176.600 0.080 0.000 0.892 515 E CA -0.750 55.713 56.400 0.105 0.000 0.775 515 E CB 2.212 31.954 29.700 0.070 0.000 1.207 515 E HN 0.824 nan 8.360 nan 0.000 0.420 516 G N 0.734 109.565 108.800 0.052 0.000 2.343 516 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.465 516 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.465 516 G C -0.858 174.057 174.900 0.025 0.000 1.282 516 G CA -0.882 44.237 45.100 0.031 0.000 0.996 516 G HN 0.427 nan 8.290 nan 0.000 0.521 517 S N -0.068 115.640 115.700 0.014 0.000 2.562 517 S HA 0.457 4.927 4.470 -0.001 0.000 0.281 517 S C 1.010 175.617 174.600 0.012 0.000 1.333 517 S CA -0.485 57.723 58.200 0.012 0.000 1.052 517 S CB 0.775 63.979 63.200 0.007 0.000 0.884 517 S HN 0.662 nan 8.310 nan 0.000 0.506 518 L N 2.913 124.144 121.223 0.014 0.000 2.525 518 L HA 0.012 4.351 4.340 -0.001 0.000 0.278 518 L C 1.523 178.399 176.870 0.010 0.000 1.218 518 L CA -0.138 54.708 54.840 0.009 0.000 0.878 518 L CB -0.020 42.046 42.059 0.011 0.000 1.127 518 L HN 0.719 nan 8.230 nan 0.000 0.492 519 L N 2.936 124.160 121.223 0.002 0.000 2.141 519 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 519 L C 1.119 178.017 176.870 0.046 0.000 1.094 519 L CA 0.607 55.455 54.840 0.014 0.000 0.763 519 L CB -0.192 41.866 42.059 -0.002 0.000 0.908 519 L HN 0.766 nan 8.230 nan 0.000 0.437 520 A N 0.083 122.930 122.820 0.044 0.000 2.337 520 A HA 0.580 4.900 4.320 -0.001 0.000 0.331 520 A C -0.798 176.841 177.584 0.091 0.000 1.137 520 A CA -0.521 51.576 52.037 0.101 0.000 0.807 520 A CB 0.946 19.978 19.000 0.053 0.000 1.250 520 A HN 0.181 nan 8.150 nan 0.000 0.468 521 Q N 1.326 121.209 119.800 0.140 0.000 2.464 521 Q HA 0.339 4.678 4.340 -0.001 0.000 0.256 521 Q C -2.875 173.219 176.000 0.158 0.000 1.020 521 Q CA -1.977 53.891 55.803 0.109 0.000 0.716 521 Q CB 1.187 29.968 28.738 0.073 0.000 1.230 521 Q HN 0.356 nan 8.270 nan 0.000 0.494 522 P HA -0.073 nan 4.420 nan 0.000 0.222 522 P C 1.079 178.465 177.300 0.144 0.000 1.147 522 P CA 1.651 64.869 63.100 0.198 0.000 0.790 522 P CB 0.260 32.019 31.700 0.098 0.000 0.780 523 A N -0.370 122.506 122.820 0.093 0.000 2.015 523 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 523 A C 1.863 179.481 177.584 0.057 0.000 1.163 523 A CA 2.126 54.202 52.037 0.065 0.000 0.646 523 A CB -1.424 17.605 19.000 0.047 0.000 0.806 523 A HN 0.340 nan 8.150 nan 0.000 0.448 524 T N -4.719 109.871 114.554 0.060 0.000 3.084 524 T HA 0.184 4.533 4.350 -0.001 0.000 0.270 524 T C 0.232 174.937 174.700 0.008 0.000 1.008 524 T CA 0.121 62.240 62.100 0.033 0.000 0.900 524 T CB -0.136 68.748 68.868 0.025 0.000 1.084 524 T HN 0.354 nan 8.240 nan 0.000 0.538 525 N N 1.960 120.678 118.700 0.030 0.000 2.738 525 N HA -0.129 4.611 4.740 -0.001 0.000 0.249 525 N C -0.473 174.889 175.510 -0.247 0.000 1.047 525 N CA 0.915 53.883 53.050 -0.137 0.000 0.707 525 N CB -1.038 37.335 38.487 -0.189 0.000 0.937 525 N HN 0.743 nan 8.380 nan 0.000 0.545 529 N N 0.116 118.845 118.700 0.048 0.000 3.283 529 N HA 0.184 4.923 4.740 -0.001 0.000 0.338 529 N C 0.525 176.000 175.510 -0.058 0.000 1.517 529 N CA -0.219 52.837 53.050 0.011 0.000 0.733 529 N CB 0.047 38.576 38.487 0.070 0.000 1.797 529 N HN 0.703 nan 8.380 nan 0.000 0.637 530 E N -0.462 119.607 120.200 -0.217 0.000 2.118 530 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 530 E C 0.879 177.276 176.600 -0.337 0.000 0.992 530 E CA 1.451 57.629 56.400 -0.370 0.000 0.804 530 E CB -0.655 28.674 29.700 -0.617 0.000 0.741 530 E HN 0.505 nan 8.360 nan 0.000 0.458 531 F N 1.513 121.468 119.950 0.008 0.000 2.219 531 F HA 0.217 4.743 4.527 -0.001 0.000 0.294 531 F C 1.540 177.356 175.800 0.027 0.000 1.086 531 F CA 0.115 58.124 58.000 0.015 0.000 1.330 531 F CB 0.084 39.089 39.000 0.008 0.000 1.047 531 F HN 0.011 nan 8.300 nan 0.000 0.495 532 I N -2.843 117.852 120.570 0.207 0.000 3.006 532 I HA 0.483 4.652 4.170 -0.001 0.000 0.306 532 I C -1.309 174.871 176.117 0.105 0.000 1.250 532 I CA -1.100 60.290 61.300 0.149 0.000 0.996 532 I CB 2.151 40.242 38.000 0.153 0.000 1.261 532 I HN -0.237 nan 8.210 nan 0.000 0.442 533 Q N 3.274 123.129 119.800 0.092 0.000 2.337 533 Q HA 0.622 4.962 4.340 -0.001 0.000 0.270 533 Q C -2.081 173.966 176.000 0.078 0.000 1.043 533 Q CA -0.634 55.213 55.803 0.074 0.000 0.794 533 Q CB 2.796 31.567 28.738 0.055 0.000 1.281 533 Q HN 0.726 nan 8.270 nan 0.000 0.446 534 V N 3.749 123.706 119.914 0.070 0.000 2.531 534 V HA 0.428 4.548 4.120 -0.001 0.000 0.301 534 V C -0.515 175.589 176.094 0.016 0.000 1.034 534 V CA -0.867 61.469 62.300 0.061 0.000 0.865 534 V CB 1.851 33.722 31.823 0.079 0.000 0.995 534 V HN 0.631 nan 8.190 nan 0.000 0.424 535 K N 5.018 125.420 120.400 0.004 0.000 2.244 535 K HA 0.656 4.976 4.320 -0.001 0.000 0.260 535 K C -1.058 175.507 176.600 -0.059 0.000 0.951 535 K CA -0.306 55.959 56.287 -0.036 0.000 0.826 535 K CB 1.238 33.729 32.500 -0.014 0.000 1.108 535 K HN 0.619 nan 8.250 nan 0.000 0.433 536 I N 4.612 125.104 120.570 -0.131 0.000 2.304 536 I HA 0.183 4.353 4.170 -0.001 0.000 0.291 536 I C 0.491 176.562 176.117 -0.076 0.000 1.018 536 I CA -0.772 60.457 61.300 -0.117 0.000 1.260 536 I CB 1.106 38.982 38.000 -0.206 0.000 1.390 536 I HN 0.555 nan 8.210 nan 0.000 0.475 537 E N 4.915 125.091 120.200 -0.041 0.000 2.397 537 E HA 0.077 4.426 4.350 -0.001 0.000 0.254 537 E C 0.690 177.280 176.600 -0.018 0.000 1.231 537 E CA -0.161 56.224 56.400 -0.024 0.000 0.954 537 E CB 0.390 30.081 29.700 -0.015 0.000 1.024 537 E HN 0.445 nan 8.360 nan 0.000 0.481 538 N N 1.231 119.926 118.700 -0.008 0.000 2.149 538 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 538 N C 1.171 176.685 175.510 0.006 0.000 1.019 538 N CA 0.656 53.707 53.050 0.000 0.000 0.857 538 N CB -0.299 38.190 38.487 0.003 0.000 0.997 538 N HN 0.349 nan 8.380 nan 0.000 0.426 539 N N 0.474 119.177 118.700 0.005 0.000 2.182 539 N HA -0.178 4.561 4.740 -0.001 0.000 0.192 539 N C 1.347 176.871 175.510 0.023 0.000 1.007 539 N CA 1.656 54.712 53.050 0.010 0.000 0.873 539 N CB -0.555 37.931 38.487 -0.002 0.000 0.998 539 N HN 0.520 nan 8.380 nan 0.000 0.436 540 G N -1.491 107.317 108.800 0.014 0.000 2.205 540 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.261 540 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.261 540 G C 0.271 175.178 174.900 0.012 0.000 0.980 540 G CA 0.885 46.000 45.100 0.025 0.000 0.632 540 G HN 0.740 nan 8.290 nan 0.000 0.533 541 S N 0.046 115.738 115.700 -0.013 0.000 2.593 541 S HA 0.679 5.149 4.470 -0.001 0.000 0.269 541 S C 0.341 174.919 174.600 -0.037 0.000 1.334 541 S CA -0.374 57.794 58.200 -0.054 0.000 1.015 541 S CB 1.336 64.496 63.200 -0.066 0.000 0.912 541 S HN 0.818 nan 8.310 nan 0.000 0.541 542 L N 1.351 122.553 121.223 -0.036 0.000 2.325 542 L HA 0.517 4.856 4.340 -0.001 0.000 0.278 542 L C -0.119 176.772 176.870 0.036 0.000 1.023 542 L CA -0.718 54.130 54.840 0.012 0.000 0.811 542 L CB 1.845 43.941 42.059 0.061 0.000 1.249 542 L HN 0.661 nan 8.230 nan 0.000 0.431 543 T N 3.689 118.270 114.554 0.046 0.000 2.792 543 T HA 0.676 5.025 4.350 -0.001 0.000 0.280 543 T C -0.276 174.480 174.700 0.093 0.000 0.990 543 T CA -0.245 61.896 62.100 0.068 0.000 0.960 543 T CB 1.254 70.145 68.868 0.038 0.000 0.939 543 T HN 0.289 nan 8.240 nan 0.000 0.439 544 I N 2.153 122.811 120.570 0.147 0.000 2.608 544 I HA 0.703 4.873 4.170 -0.001 0.000 0.295 544 I C -0.205 176.018 176.117 0.176 0.000 1.049 544 I CA -1.212 60.185 61.300 0.161 0.000 1.063 544 I CB 1.978 40.091 38.000 0.188 0.000 1.248 544 I HN 0.650 nan 8.210 nan 0.000 0.424 545 A N 3.806 126.705 122.820 0.133 0.000 2.303 545 A HA 0.401 4.720 4.320 -0.001 0.000 0.320 545 A C -0.816 176.847 177.584 0.132 0.000 1.192 545 A CA -0.531 51.572 52.037 0.111 0.000 0.821 545 A CB 0.880 19.916 19.000 0.061 0.000 1.188 545 A HN 0.700 nan 8.150 nan 0.000 0.492 546 D N 2.300 122.790 120.400 0.150 0.000 2.338 546 D HA 0.123 4.762 4.640 -0.001 0.000 0.255 546 D C 0.783 177.142 176.300 0.097 0.000 1.237 546 D CA 0.159 54.245 54.000 0.144 0.000 0.883 546 D CB 0.848 41.748 40.800 0.167 0.000 1.087 546 D HN 0.533 nan 8.370 nan 0.000 0.485 547 K N 2.364 122.820 120.400 0.093 0.000 2.362 547 K HA -0.082 4.237 4.320 -0.001 0.000 0.200 547 K C 1.479 178.105 176.600 0.044 0.000 1.046 547 K CA 0.806 57.125 56.287 0.053 0.000 0.952 547 K CB 0.473 32.990 32.500 0.030 0.000 0.753 547 K HN 0.247 nan 8.250 nan 0.000 0.466 548 K N -0.635 119.807 120.400 0.069 0.000 2.242 548 K HA 0.011 4.330 4.320 -0.001 0.000 0.200 548 K C 2.020 178.653 176.600 0.055 0.000 1.050 548 K CA 1.291 57.615 56.287 0.061 0.000 0.981 548 K CB 0.077 32.632 32.500 0.092 0.000 0.795 548 K HN 0.235 nan 8.250 nan 0.000 0.477 549 T N -3.027 111.564 114.554 0.062 0.000 3.015 549 T HA 0.210 4.560 4.350 -0.001 0.000 0.250 549 T C 1.552 176.267 174.700 0.025 0.000 1.057 549 T CA 0.930 63.059 62.100 0.048 0.000 1.066 549 T CB 0.282 69.188 68.868 0.063 0.000 0.959 549 T HN 0.281 nan 8.240 nan 0.000 0.488 550 G N 1.507 110.321 108.800 0.024 0.000 2.205 550 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.261 550 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.261 550 G C -0.083 174.797 174.900 -0.033 0.000 0.980 550 G CA 0.147 45.248 45.100 -0.000 0.000 0.632 550 G HN 0.624 nan 8.290 nan 0.000 0.533 551 E N 1.741 121.916 120.200 -0.042 0.000 2.384 551 E HA 0.411 4.761 4.350 -0.001 0.000 0.266 551 E C 0.799 177.277 176.600 -0.203 0.000 1.012 551 E CA 0.916 57.214 56.400 -0.170 0.000 0.901 551 E CB 1.004 30.592 29.700 -0.186 0.000 0.967 551 E HN 0.649 nan 8.360 nan 0.000 0.435 552 T N -0.432 113.910 114.554 -0.353 0.000 2.912 552 T HA 0.737 5.086 4.350 -0.001 0.000 0.288 552 T C -0.432 173.980 174.700 -0.480 0.000 1.030 552 T CA -0.752 61.210 62.100 -0.230 0.000 1.020 552 T CB 0.654 69.461 68.868 -0.102 0.000 1.056 552 T HN 0.241 nan 8.240 nan 0.000 0.480 553 F N 0.229 120.190 119.950 0.018 0.000 2.578 553 F HA 0.728 5.254 4.527 -0.001 0.000 0.311 553 F C 0.362 176.174 175.800 0.020 0.000 1.094 553 F CA -0.795 57.218 58.000 0.021 0.000 0.923 553 F CB 2.716 41.737 39.000 0.035 0.000 1.230 553 F HN 0.758 nan 8.300 nan 0.000 0.450 554 S N 0.662 116.482 115.700 0.200 0.000 2.599 554 S HA 0.569 5.039 4.470 -0.001 0.000 0.287 554 S C -0.362 174.273 174.600 0.058 0.000 1.105 554 S CA -0.694 57.563 58.200 0.095 0.000 0.899 554 S CB 1.260 64.487 63.200 0.045 0.000 1.100 554 S HN 0.681 nan 8.310 nan 0.000 0.482 555 K N 0.630 121.035 120.400 0.009 0.000 3.407 555 K HA -0.166 4.154 4.320 -0.001 0.000 0.312 555 K C -0.325 176.209 176.600 -0.111 0.000 1.302 555 K CA 0.650 56.910 56.287 -0.044 0.000 0.931 555 K CB -1.922 30.554 32.500 -0.041 0.000 1.257 555 K HN 0.564 nan 8.250 nan 0.000 0.454 556 L N 0.689 121.864 121.223 -0.080 0.000 2.483 556 L HA 0.028 4.368 4.340 -0.001 0.000 0.275 556 L C 1.489 178.118 176.870 -0.402 0.000 1.220 556 L CA 0.149 54.883 54.840 -0.177 0.000 0.833 556 L CB 0.104 42.196 42.059 0.055 0.000 1.102 556 L HN 0.220 nan 8.230 nan 0.000 0.490 557 L N 1.130 121.825 121.223 -0.879 0.000 4.089 557 L HA -0.194 4.145 4.340 -0.001 0.000 0.408 557 L C 0.190 176.567 176.870 -0.821 0.000 1.184 557 L CA 0.575 54.825 54.840 -0.984 0.000 0.947 557 L CB -1.450 40.228 42.059 -0.636 0.000 2.066 557 L HN 0.835 nan 8.230 nan 0.000 0.851 558 T N 0.664 114.817 114.554 -0.667 0.000 2.884 558 T HA 0.428 4.777 4.350 -0.001 0.000 0.298 558 T C -0.025 174.337 174.700 -0.565 0.000 0.998 558 T CA 0.098 61.942 62.100 -0.426 0.000 1.124 558 T CB 0.270 68.981 68.868 -0.262 0.000 0.931 558 T HN 0.139 nan 8.240 nan 0.000 0.531 559 F N 1.926 121.786 119.950 -0.149 0.000 2.425 559 F HA 0.486 5.013 4.527 -0.001 0.000 0.331 559 F C 0.776 176.516 175.800 -0.099 0.000 1.085 559 F CA -0.805 57.121 58.000 -0.123 0.000 1.028 559 F CB 1.265 40.234 39.000 -0.050 0.000 1.177 559 F HN 0.383 nan 8.300 nan 0.000 0.487 560 E N 2.497 122.736 120.200 0.064 0.000 2.274 560 E HA 0.214 4.563 4.350 -0.001 0.000 0.269 560 E C -2.140 174.453 176.600 -0.011 0.000 0.891 560 E CA -0.535 55.863 56.400 -0.004 0.000 0.784 560 E CB 2.050 31.709 29.700 -0.068 0.000 1.225 560 E HN 0.737 nan 8.360 nan 0.000 0.412 561 D N 2.339 122.733 120.400 -0.010 0.000 2.362 561 D HA 0.492 5.131 4.640 -0.001 0.000 0.247 561 D C -0.995 175.306 176.300 0.001 0.000 1.050 561 D CA -0.115 53.875 54.000 -0.016 0.000 0.839 561 D CB 1.538 42.300 40.800 -0.064 0.000 1.283 561 D HN 0.446 nan 8.370 nan 0.000 0.477 562 T N -0.142 114.437 114.554 0.040 0.000 2.883 562 T HA 0.726 5.075 4.350 -0.001 0.000 0.296 562 T C 0.371 175.152 174.700 0.134 0.000 1.117 562 T CA -0.919 61.230 62.100 0.080 0.000 1.006 562 T CB 1.265 70.213 68.868 0.133 0.000 1.191 562 T HN 0.337 nan 8.240 nan 0.000 0.508 563 G N 0.283 109.144 108.800 0.101 0.000 2.527 563 G HA2 0.475 4.435 3.960 -0.001 0.000 0.248 563 G HA3 0.475 4.435 3.960 -0.001 0.000 0.248 563 G C -1.007 173.961 174.900 0.113 0.000 1.231 563 G CA -0.231 44.928 45.100 0.098 0.000 0.838 563 G HN 0.832 nan 8.290 nan 0.000 0.570 564 D N 0.411 120.876 120.400 0.109 0.000 2.696 564 D HA 0.280 4.919 4.640 -0.001 0.000 0.251 564 D C 0.782 177.104 176.300 0.037 0.000 1.188 564 D CA -0.695 53.326 54.000 0.035 0.000 0.876 564 D CB 1.343 42.266 40.800 0.205 0.000 1.334 564 D HN 0.308 nan 8.370 nan 0.000 0.540 565 I N 1.027 121.617 120.570 0.034 0.000 4.009 565 I HA 0.517 4.687 4.170 -0.001 0.000 0.331 565 I C 0.987 177.171 176.117 0.112 0.000 1.462 565 I CA -0.713 60.648 61.300 0.102 0.000 1.117 565 I CB 0.897 38.981 38.000 0.140 0.000 1.091 565 I HN 0.250 nan 8.210 nan 0.000 0.410 566 G N 2.527 111.366 108.800 0.065 0.000 2.711 566 G HA2 0.242 4.201 3.960 -0.001 0.000 0.186 566 G HA3 0.242 4.201 3.960 -0.001 0.000 0.186 566 G C -0.129 174.743 174.900 -0.046 0.000 1.635 566 G CA 0.071 45.138 45.100 -0.054 0.000 1.065 566 G HN 0.599 nan 8.290 nan 0.000 0.545 567 N N -2.482 116.169 118.700 -0.083 0.000 3.344 567 N HA 0.127 4.866 4.740 -0.001 0.000 0.296 567 N C 0.446 175.950 175.510 -0.011 0.000 1.571 567 N CA -0.545 52.499 53.050 -0.011 0.000 0.844 567 N CB 1.283 39.783 38.487 0.022 0.000 1.718 567 N HN 0.358 nan 8.380 nan 0.000 0.589 568 E N -0.503 119.685 120.200 -0.020 0.000 2.219 568 E HA -0.187 4.162 4.350 -0.001 0.000 0.198 568 E C 0.714 177.213 176.600 -0.169 0.000 0.998 568 E CA 1.709 58.039 56.400 -0.117 0.000 0.818 568 E CB -0.278 29.309 29.700 -0.189 0.000 0.741 568 E HN 0.448 nan 8.360 nan 0.000 0.477 569 Y N -0.320 119.947 120.300 -0.056 0.000 2.397 569 Y HA 0.066 4.616 4.550 -0.001 0.000 0.292 569 Y C 0.990 176.839 175.900 -0.085 0.000 1.115 569 Y CA 0.440 58.503 58.100 -0.061 0.000 1.208 569 Y CB 0.723 39.148 38.460 -0.058 0.000 1.046 569 Y HN -0.111 nan 8.280 nan 0.000 0.552 570 I N -1.122 119.452 120.570 0.006 0.000 2.722 570 I HA 0.133 4.303 4.170 -0.001 0.000 0.295 570 I C -1.148 174.941 176.117 -0.047 0.000 1.161 570 I CA -1.287 59.962 61.300 -0.086 0.000 1.032 570 I CB 1.695 39.449 38.000 -0.411 0.000 1.244 570 I HN -0.170 nan 8.210 nan 0.000 0.421 571 F N 6.144 126.059 119.950 -0.057 0.000 2.396 571 F HA 0.608 5.134 4.527 -0.001 0.000 0.343 571 F C -1.383 174.505 175.800 0.147 0.000 1.104 571 F CA -0.248 57.755 58.000 0.006 0.000 1.161 571 F CB 0.961 39.950 39.000 -0.019 0.000 1.146 571 F HN 0.343 nan 8.300 nan 0.000 0.522 572 F N 6.813 126.191 119.950 -0.953 0.000 2.585 572 F HA 0.330 4.856 4.527 -0.001 0.000 0.319 572 F C -1.067 174.230 175.800 -0.838 0.000 1.165 572 F CA -0.947 56.623 58.000 -0.717 0.000 0.949 572 F CB 1.123 40.083 39.000 -0.066 0.000 1.218 572 F HN 0.492 nan 8.300 nan 0.000 0.453 573 K N 7.612 127.254 120.400 -1.264 0.000 2.258 573 K HA 0.447 4.766 4.320 -0.001 0.000 0.284 573 K C -2.535 173.721 176.600 -0.572 0.000 1.051 573 K CA -1.775 54.094 56.287 -0.697 0.000 0.923 573 K CB 0.988 33.265 32.500 -0.372 0.000 1.046 573 K HN 0.237 nan 8.250 nan 0.000 0.474 574 P HA -0.077 nan 4.420 nan 0.000 0.265 574 P C 0.418 177.642 177.300 -0.127 0.000 1.187 574 P CA 0.072 63.116 63.100 -0.093 0.000 0.766 574 P CB 0.706 32.391 31.700 -0.025 0.000 0.820 575 T N -0.959 113.557 114.554 -0.063 0.000 2.849 575 T HA -0.200 4.149 4.350 -0.001 0.000 0.270 575 T C 1.329 175.997 174.700 -0.053 0.000 1.066 575 T CA 1.811 63.872 62.100 -0.065 0.000 1.130 575 T CB -0.948 67.922 68.868 0.003 0.000 0.864 575 T HN 0.461 nan 8.240 nan 0.000 0.481 576 E N 0.673 120.851 120.200 -0.035 0.000 2.465 576 E HA 0.272 4.621 4.350 -0.001 0.000 0.195 576 E C 0.204 176.787 176.600 -0.028 0.000 1.028 576 E CA -0.076 56.309 56.400 -0.026 0.000 0.899 576 E CB -0.263 29.428 29.700 -0.014 0.000 1.032 576 E HN 0.653 nan 8.360 nan 0.000 0.468 577 D N -0.138 120.237 120.400 -0.041 0.000 2.316 577 D HA 0.205 4.844 4.640 -0.001 0.000 0.245 577 D C 0.822 177.106 176.300 -0.027 0.000 1.171 577 D CA -0.040 53.941 54.000 -0.031 0.000 0.856 577 D CB 1.418 42.197 40.800 -0.035 0.000 1.090 577 D HN 0.194 nan 8.370 nan 0.000 0.476 578 Q N 2.113 121.902 119.800 -0.018 0.000 2.408 578 Q HA 0.286 4.625 4.340 -0.001 0.000 0.205 578 Q C 0.690 176.683 176.000 -0.012 0.000 0.919 578 Q CA 0.236 56.029 55.803 -0.016 0.000 0.932 578 Q CB 0.612 29.341 28.738 -0.014 0.000 1.058 578 Q HN 0.747 nan 8.270 nan 0.000 0.517 579 G N 1.105 109.900 108.800 -0.009 0.000 2.712 579 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.686 579 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.686 579 G C -0.744 174.149 174.900 -0.011 0.000 1.321 579 G CA -0.829 44.268 45.100 -0.006 0.000 0.813 579 G HN 0.092 nan 8.290 nan 0.000 0.599 580 I N 0.201 120.764 120.570 -0.012 0.000 2.562 580 I HA 0.790 4.959 4.170 -0.001 0.000 0.301 580 I C 0.544 176.661 176.117 -0.000 0.000 1.003 580 I CA -0.564 60.730 61.300 -0.009 0.000 1.127 580 I CB 1.802 39.792 38.000 -0.016 0.000 1.304 580 I HN 0.657 nan 8.210 nan 0.000 0.446 581 T N 1.441 116.001 114.554 0.010 0.000 2.883 581 T HA 0.311 4.660 4.350 -0.001 0.000 0.301 581 T C 0.536 175.258 174.700 0.038 0.000 1.158 581 T CA -0.318 61.793 62.100 0.018 0.000 1.007 581 T CB 1.735 70.599 68.868 -0.007 0.000 1.186 581 T HN 0.797 nan 8.240 nan 0.000 0.499 582 T N -0.848 113.743 114.554 0.062 0.000 3.235 582 T HA 0.207 4.556 4.350 -0.001 0.000 0.251 582 T C 1.176 175.898 174.700 0.036 0.000 1.060 582 T CA 0.086 62.229 62.100 0.072 0.000 0.949 582 T CB -0.081 68.871 68.868 0.141 0.000 1.020 582 T HN 0.668 nan 8.240 nan 0.000 0.564 583 E N 1.862 122.069 120.200 0.012 0.000 2.150 583 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 583 E C 0.959 177.561 176.600 0.003 0.000 0.985 583 E CA 0.896 57.294 56.400 -0.003 0.000 0.814 583 E CB -0.015 29.677 29.700 -0.013 0.000 0.752 583 E HN 0.672 nan 8.360 nan 0.000 0.466 584 N N -0.586 118.119 118.700 0.009 0.000 2.291 584 N HA 0.136 4.875 4.740 -0.001 0.000 0.244 584 N C -1.371 174.147 175.510 0.014 0.000 1.216 584 N CA -0.408 52.647 53.050 0.009 0.000 0.879 584 N CB 1.847 40.337 38.487 0.005 0.000 1.167 584 N HN -0.134 nan 8.380 nan 0.000 0.515 585 V N 0.977 120.903 119.914 0.021 0.000 2.607 585 V HA 0.213 4.333 4.120 -0.001 0.000 0.289 585 V C 0.411 176.518 176.094 0.023 0.000 1.053 585 V CA -0.055 62.261 62.300 0.026 0.000 0.996 585 V CB 1.649 33.495 31.823 0.038 0.000 0.995 585 V HN 0.145 nan 8.190 nan 0.000 0.476 586 T N 5.149 119.716 114.554 0.021 0.000 2.738 586 T HA 0.532 4.882 4.350 -0.001 0.000 0.298 586 T C 0.222 174.936 174.700 0.023 0.000 0.962 586 T CA -0.124 61.987 62.100 0.020 0.000 0.972 586 T CB 0.864 69.742 68.868 0.016 0.000 0.928 586 T HN 0.894 nan 8.240 nan 0.000 0.474 587 A N 3.233 126.068 122.820 0.026 0.000 2.371 587 A HA 0.631 4.950 4.320 -0.001 0.000 0.257 587 A C 0.621 178.223 177.584 0.030 0.000 1.089 587 A CA -0.676 51.379 52.037 0.031 0.000 0.794 587 A CB 0.031 19.053 19.000 0.036 0.000 1.029 587 A HN 0.903 nan 8.150 nan 0.000 0.488 588 E N 2.017 122.236 120.200 0.033 0.000 2.115 588 E HA 0.527 4.876 4.350 -0.001 0.000 0.282 588 E C -0.668 175.966 176.600 0.056 0.000 0.987 588 E CA -0.612 55.811 56.400 0.038 0.000 0.797 588 E CB 0.448 30.166 29.700 0.031 0.000 1.086 588 E HN 0.506 nan 8.360 nan 0.000 0.397 589 I N 2.634 123.245 120.570 0.068 0.000 2.378 589 I HA 0.473 4.642 4.170 -0.001 0.000 0.291 589 I C -0.125 176.081 176.117 0.148 0.000 0.992 589 I CA -0.690 60.675 61.300 0.108 0.000 1.154 589 I CB 1.196 39.241 38.000 0.075 0.000 1.315 589 I HN 0.441 nan 8.210 nan 0.000 0.448 590 T N 4.623 119.289 114.554 0.186 0.000 2.881 590 T HA 0.219 4.568 4.350 -0.001 0.000 0.290 590 T C -0.044 174.741 174.700 0.142 0.000 1.000 590 T CA -0.680 61.507 62.100 0.145 0.000 0.978 590 T CB 1.550 70.462 68.868 0.073 0.000 0.997 590 T HN 0.535 nan 8.240 nan 0.000 0.443 591 N N 2.378 121.088 118.700 0.017 0.000 2.431 591 N HA 0.129 4.868 4.740 -0.001 0.000 0.265 591 N C 1.060 176.446 175.510 -0.206 0.000 1.184 591 N CA -0.085 52.736 53.050 -0.383 0.000 0.943 591 N CB 0.562 38.808 38.487 -0.402 0.000 1.080 591 N HN 0.297 nan 8.380 nan 0.000 0.477 592 K N 1.817 122.094 120.400 -0.206 0.000 2.276 592 K HA 0.137 4.456 4.320 -0.001 0.000 0.198 592 K C 0.004 176.545 176.600 -0.099 0.000 1.052 592 K CA 0.761 56.989 56.287 -0.100 0.000 0.984 592 K CB 0.210 32.679 32.500 -0.052 0.000 0.836 592 K HN 0.726 nan 8.250 nan 0.000 0.490 593 E N 1.253 121.368 120.200 -0.142 0.000 2.321 593 E HA 0.487 4.836 4.350 -0.001 0.000 0.278 593 E C -1.660 174.863 176.600 -0.129 0.000 0.902 593 E CA -0.901 55.438 56.400 -0.102 0.000 0.758 593 E CB 1.407 31.064 29.700 -0.071 0.000 1.213 593 E HN 0.043 nan 8.360 nan 0.000 0.426 594 N N 0.620 119.269 118.700 -0.086 0.000 2.549 594 N HA 0.541 5.281 4.740 -0.001 0.000 0.290 594 N C -1.108 174.382 175.510 -0.032 0.000 1.122 594 N CA 0.446 53.452 53.050 -0.073 0.000 0.885 594 N CB 1.838 40.280 38.487 -0.074 0.000 1.455 594 N HN 0.886 nan 8.380 nan 0.000 0.521 595 S N 2.401 118.081 115.700 -0.034 0.000 2.794 595 S HA 0.700 5.169 4.470 -0.001 0.000 0.299 595 S C -2.423 172.160 174.600 -0.029 0.000 1.179 595 S CA -1.078 57.117 58.200 -0.008 0.000 0.838 595 S CB 2.213 65.417 63.200 0.006 0.000 1.206 595 S HN 0.173 nan 8.310 nan 0.000 0.523 596 P HA 0.114 nan 4.420 nan 0.000 0.231 596 P C 1.288 178.521 177.300 -0.111 0.000 1.168 596 P CA 0.693 63.777 63.100 -0.027 0.000 0.779 596 P CB -0.008 31.718 31.700 0.043 0.000 0.844 597 V N -4.251 115.512 119.914 -0.251 0.000 3.523 597 V HA 0.304 4.423 4.120 -0.001 0.000 0.255 597 V C 0.632 176.580 176.094 -0.243 0.000 1.226 597 V CA 0.384 62.484 62.300 -0.333 0.000 1.092 597 V CB -0.406 30.994 31.823 -0.704 0.000 0.817 597 V HN -0.121 nan 8.190 nan 0.000 0.458 598 K N 0.504 120.782 120.400 -0.203 0.000 2.525 598 K HA 0.779 5.098 4.320 -0.001 0.000 0.254 598 K C -1.240 175.301 176.600 -0.099 0.000 0.934 598 K CA 0.078 56.278 56.287 -0.145 0.000 0.802 598 K CB 2.270 34.674 32.500 -0.160 0.000 1.295 598 K HN 0.439 nan 8.250 nan 0.000 0.433 599 A N 1.562 124.338 122.820 -0.074 0.000 2.469 599 A HA 0.827 5.146 4.320 -0.001 0.000 0.299 599 A C -1.286 176.262 177.584 -0.059 0.000 1.098 599 A CA -0.540 51.452 52.037 -0.075 0.000 0.737 599 A CB 1.777 20.744 19.000 -0.055 0.000 1.312 599 A HN 0.835 nan 8.150 nan 0.000 0.414 600 S N -0.152 115.478 115.700 -0.117 0.000 2.537 600 S HA 0.760 5.229 4.470 -0.001 0.000 0.270 600 S C -1.608 172.905 174.600 -0.145 0.000 1.142 600 S CA -0.507 57.666 58.200 -0.045 0.000 0.870 600 S CB 0.865 64.052 63.200 -0.021 0.000 1.112 600 S HN 0.668 nan 8.310 nan 0.000 0.466 601 Y N 0.966 121.298 120.300 0.054 0.000 2.485 601 Y HA 0.575 5.124 4.550 -0.001 0.000 0.345 601 Y C 0.172 176.114 175.900 0.070 0.000 0.998 601 Y CA -0.563 57.573 58.100 0.060 0.000 1.059 601 Y CB 2.092 40.594 38.460 0.069 0.000 1.234 601 Y HN 0.810 nan 8.280 nan 0.000 0.461 602 Q N 3.642 123.574 119.800 0.220 0.000 2.293 602 Q HA 0.611 4.951 4.340 -0.001 0.000 0.261 602 Q C -1.581 174.513 176.000 0.156 0.000 0.960 602 Q CA -0.551 55.344 55.803 0.154 0.000 0.882 602 Q CB 1.128 29.921 28.738 0.093 0.000 1.275 602 Q HN 0.726 nan 8.270 nan 0.000 0.445 603 I N 3.662 124.310 120.570 0.130 0.000 2.418 603 I HA 0.387 4.556 4.170 -0.001 0.000 0.287 603 I C -0.725 175.430 176.117 0.063 0.000 1.008 603 I CA -0.676 60.685 61.300 0.102 0.000 1.104 603 I CB 1.855 39.925 38.000 0.116 0.000 1.264 603 I HN 0.381 nan 8.210 nan 0.000 0.438 604 K N 5.871 126.296 120.400 0.042 0.000 2.244 604 K HA 0.618 4.937 4.320 -0.001 0.000 0.260 604 K C -1.033 175.571 176.600 0.007 0.000 0.951 604 K CA -0.680 55.613 56.287 0.009 0.000 0.826 604 K CB 2.020 34.523 32.500 0.004 0.000 1.108 604 K HN 0.459 nan 8.250 nan 0.000 0.433 605 Q N 0.858 120.647 119.800 -0.017 0.000 2.323 605 Q HA 0.319 4.658 4.340 -0.001 0.000 0.271 605 Q C -1.299 174.698 176.000 -0.005 0.000 1.048 605 Q CA -0.606 55.197 55.803 -0.000 0.000 0.792 605 Q CB 2.614 31.359 28.738 0.012 0.000 1.280 605 Q HN 0.407 nan 8.270 nan 0.000 0.441 606 T N 2.206 116.770 114.554 0.017 0.000 2.756 606 T HA 0.501 4.850 4.350 -0.001 0.000 0.290 606 T C -0.054 174.684 174.700 0.063 0.000 0.985 606 T CA -0.559 61.561 62.100 0.035 0.000 0.955 606 T CB 0.467 69.348 68.868 0.022 0.000 0.930 606 T HN 0.434 nan 8.240 nan 0.000 0.451 610 P HA -0.019 nan 4.420 nan 0.000 0.265 610 P C 0.552 177.804 177.300 -0.079 0.000 1.187 610 P CA 0.073 63.138 63.100 -0.058 0.000 0.766 610 P CB 0.956 32.628 31.700 -0.047 0.000 0.820 611 V N 2.063 121.952 119.914 -0.042 0.000 2.667 611 V HA 0.109 4.228 4.120 -0.001 0.000 0.252 611 V C 0.674 176.750 176.094 -0.030 0.000 1.065 611 V CA 2.304 64.585 62.300 -0.032 0.000 1.083 611 V CB -0.674 31.147 31.823 -0.003 0.000 0.692 611 V HN 0.822 nan 8.190 nan 0.000 0.468 612 A N -1.788 121.021 122.820 -0.019 0.000 2.490 612 A HA 0.766 5.085 4.320 -0.001 0.000 0.292 612 A C -0.437 177.157 177.584 0.015 0.000 1.047 612 A CA -0.130 51.913 52.037 0.010 0.000 0.632 612 A CB 0.311 19.326 19.000 0.025 0.000 1.323 612 A HN 0.807 nan 8.150 nan 0.000 0.448 613 A N 0.339 123.178 122.820 0.033 0.000 2.386 613 A HA 0.515 4.834 4.320 -0.001 0.000 0.246 613 A C 0.367 177.963 177.584 0.020 0.000 1.089 613 A CA 0.663 52.718 52.037 0.029 0.000 0.790 613 A CB -0.440 18.584 19.000 0.040 0.000 1.042 613 A HN 1.402 nan 8.150 nan 0.000 0.497 614 D N -0.352 120.057 120.400 0.016 0.000 2.414 614 D HA 0.401 5.040 4.640 -0.001 0.000 0.251 614 D C 1.321 177.627 176.300 0.010 0.000 1.252 614 D CA 0.342 54.349 54.000 0.010 0.000 0.999 614 D CB -0.073 40.731 40.800 0.007 0.000 1.093 614 D HN 0.622 nan 8.370 nan 0.000 0.515 615 E N -0.379 119.824 120.200 0.005 0.000 2.187 615 E HA -0.292 4.057 4.350 -0.001 0.000 0.199 615 E C 2.072 178.668 176.600 -0.005 0.000 1.004 615 E CA 2.092 58.492 56.400 0.001 0.000 0.813 615 E CB -0.872 28.827 29.700 -0.001 0.000 0.736 615 E HN 0.556 nan 8.360 nan 0.000 0.468 616 R N -0.774 119.723 120.500 -0.005 0.000 2.105 616 R HA -0.041 4.299 4.340 -0.001 0.000 0.239 616 R C 2.460 178.750 176.300 -0.017 0.000 1.135 616 R CA 1.352 57.445 56.100 -0.012 0.000 0.967 616 R CB -0.540 29.756 30.300 -0.006 0.000 0.861 616 R HN 0.450 nan 8.270 nan 0.000 0.442 617 L N 1.427 122.648 121.223 -0.004 0.000 2.013 617 L HA -0.224 4.116 4.340 -0.001 0.000 0.212 617 L C 2.095 178.948 176.870 -0.027 0.000 1.073 617 L CA 1.950 56.789 54.840 -0.001 0.000 0.753 617 L CB -0.616 41.457 42.059 0.023 0.000 0.890 617 L HN 0.242 nan 8.230 nan 0.000 0.432 618 E N -0.874 119.311 120.200 -0.026 0.000 2.160 618 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 618 E C 1.900 178.428 176.600 -0.120 0.000 0.991 618 E CA 1.228 57.598 56.400 -0.051 0.000 0.810 618 E CB 0.078 29.767 29.700 -0.019 0.000 0.742 618 E HN 0.591 nan 8.360 nan 0.000 0.466 619 E N 0.423 120.566 120.200 -0.095 0.000 2.072 619 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 619 E C 1.910 178.426 176.600 -0.140 0.000 0.982 619 E CA 0.782 57.113 56.400 -0.115 0.000 0.803 619 E CB -0.057 29.600 29.700 -0.073 0.000 0.755 619 E HN 0.414 nan 8.360 nan 0.000 0.453 620 E N 0.676 120.813 120.200 -0.105 0.000 2.204 620 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 620 E C 2.118 178.638 176.600 -0.134 0.000 0.989 620 E CA 0.542 56.884 56.400 -0.098 0.000 0.824 620 E CB 0.002 29.669 29.700 -0.056 0.000 0.756 620 E HN 0.300 nan 8.360 nan 0.000 0.477 621 Q N 0.795 120.489 119.800 -0.177 0.000 2.049 621 Q HA -0.120 4.220 4.340 -0.001 0.000 0.198 621 Q C 2.000 177.610 176.000 -0.649 0.000 0.971 621 Q CA 1.094 56.735 55.803 -0.271 0.000 0.833 621 Q CB -0.005 28.623 28.738 -0.184 0.000 0.896 621 Q HN 0.094 nan 8.270 nan 0.000 0.434 622 K N 0.497 120.458 120.400 -0.730 0.000 2.057 622 K HA -0.093 4.227 4.320 -0.001 0.000 0.207 622 K C 1.863 178.233 176.600 -0.384 0.000 1.049 622 K CA 1.246 57.077 56.287 -0.760 0.000 0.931 622 K CB -0.116 32.116 32.500 -0.447 0.000 0.714 622 K HN 0.119 nan 8.250 nan 0.000 0.440 623 A N 1.012 123.685 122.820 -0.245 0.000 2.235 623 A HA 0.028 4.347 4.320 -0.001 0.000 0.208 623 A C 1.001 178.515 177.584 -0.117 0.000 1.172 623 A CA 0.719 52.670 52.037 -0.144 0.000 0.786 623 A CB -0.564 18.373 19.000 -0.106 0.000 0.804 623 A HN 0.424 nan 8.150 nan 0.000 0.479 624 V N -1.316 118.510 119.914 -0.147 0.000 5.479 624 V HA -0.287 3.833 4.120 -0.001 0.000 0.289 624 V C 0.108 176.173 176.094 -0.049 0.000 0.595 624 V CA 1.438 63.691 62.300 -0.077 0.000 0.649 624 V CB -2.722 29.076 31.823 -0.041 0.000 0.390 624 V HN 0.947 nan 8.190 nan 0.000 0.974 625 R N 1.686 122.146 120.500 -0.066 0.000 2.449 625 R HA 0.529 4.868 4.340 -0.001 0.000 0.296 625 R C 0.528 176.792 176.300 -0.059 0.000 1.047 625 R CA 1.043 57.104 56.100 -0.064 0.000 1.018 625 R CB 0.357 30.614 30.300 -0.071 0.000 0.962 625 R HN 1.454 nan 8.270 nan 0.000 0.428 626 E N 5.319 125.470 120.200 -0.083 0.000 2.465 626 E HA -0.023 4.326 4.350 -0.001 0.000 0.260 626 E C 0.593 177.050 176.600 -0.239 0.000 0.980 626 E CA 0.429 56.756 56.400 -0.122 0.000 0.927 626 E CB -0.425 29.167 29.700 -0.180 0.000 0.934 626 E HN 0.715 nan 8.360 nan 0.000 0.459 627 F N 1.844 121.633 119.950 -0.269 0.000 2.202 627 F HA -0.062 4.464 4.527 -0.001 0.000 0.301 627 F C 2.465 177.710 175.800 -0.925 0.000 1.082 627 F CA 1.951 59.670 58.000 -0.467 0.000 1.313 627 F CB -0.662 38.100 39.000 -0.397 0.000 1.024 627 F HN 0.490 nan 8.300 nan 0.000 0.495 628 R N 0.839 120.418 120.500 -1.536 0.000 2.235 628 R HA 0.037 4.376 4.340 -0.001 0.000 0.213 628 R C 1.532 177.528 176.300 -0.507 0.000 1.059 628 R CA 1.545 56.932 56.100 -1.188 0.000 0.997 628 R CB -1.329 28.458 30.300 -0.856 0.000 0.884 628 R HN 0.468 nan 8.270 nan 0.000 0.462 629 E N 0.149 120.112 120.200 -0.395 0.000 2.474 629 E HA 0.103 4.453 4.350 -0.001 0.000 0.195 629 E C -0.174 176.359 176.600 -0.111 0.000 1.039 629 E CA -0.090 56.198 56.400 -0.187 0.000 0.881 629 E CB 0.233 29.840 29.700 -0.155 0.000 0.970 629 E HN 0.525 nan 8.360 nan 0.000 0.486 630 R N 0.801 121.228 120.500 -0.122 0.000 2.442 630 R HA 0.134 4.473 4.340 -0.001 0.000 0.291 630 R C 0.666 176.994 176.300 0.048 0.000 1.069 630 R CA -0.220 55.863 56.100 -0.027 0.000 1.022 630 R CB 0.712 31.003 30.300 -0.014 0.000 0.976 630 R HN -0.063 nan 8.270 nan 0.000 0.443 631 L N 2.421 123.659 121.223 0.025 0.000 2.616 631 L HA 0.214 4.553 4.340 -0.001 0.000 0.229 631 L C 0.822 177.710 176.870 0.031 0.000 1.110 631 L CA 0.498 55.354 54.840 0.027 0.000 0.884 631 L CB -0.390 41.673 42.059 0.006 0.000 1.115 631 L HN 0.687 nan 8.230 nan 0.000 0.481 632 A N -0.284 122.557 122.820 0.035 0.000 2.466 632 A HA 0.425 4.744 4.320 -0.001 0.000 0.238 632 A C 0.260 177.865 177.584 0.036 0.000 1.074 632 A CA 0.088 52.143 52.037 0.031 0.000 0.774 632 A CB 0.241 19.260 19.000 0.031 0.000 1.015 632 A HN 0.257 nan 8.150 nan 0.000 0.498 633 Q N 0.076 119.889 119.800 0.022 0.000 2.528 633 Q HA 0.350 4.689 4.340 -0.001 0.000 0.289 633 Q C -0.620 175.387 176.000 0.012 0.000 1.091 633 Q CA -0.814 54.998 55.803 0.014 0.000 0.797 633 Q CB 1.195 29.937 28.738 0.007 0.000 1.466 633 Q HN 0.812 nan 8.270 nan 0.000 0.436 634 R N 0.438 120.942 120.500 0.006 0.000 2.640 634 R HA 0.095 4.434 4.340 -0.001 0.000 0.270 634 R C 0.572 176.872 176.300 0.001 0.000 1.024 634 R CA 0.125 56.227 56.100 0.004 0.000 1.085 634 R CB 0.245 30.543 30.300 -0.003 0.000 0.963 634 R HN 0.533 nan 8.270 nan 0.000 0.426 635 S N 0.494 116.195 115.700 0.000 0.000 2.572 635 S HA -0.026 4.443 4.470 -0.001 0.000 0.279 635 S C 1.404 176.002 174.600 -0.005 0.000 1.341 635 S CA -0.154 58.046 58.200 -0.001 0.000 1.043 635 S CB 0.937 64.137 63.200 0.001 0.000 0.887 635 S HN 0.697 nan 8.310 nan 0.000 0.516 636 T N 0.939 115.492 114.554 -0.002 0.000 3.148 636 T HA 0.140 4.490 4.350 -0.001 0.000 0.253 636 T C 0.484 175.183 174.700 -0.002 0.000 1.134 636 T CA -0.004 62.095 62.100 -0.003 0.000 1.051 636 T CB -0.579 68.288 68.868 -0.001 0.000 0.959 636 T HN 0.517 nan 8.240 nan 0.000 0.525 637 T N 3.400 117.953 114.554 -0.002 0.000 2.743 637 T HA 0.565 4.914 4.350 -0.001 0.000 0.293 637 T C -0.304 174.394 174.700 -0.004 0.000 0.945 637 T CA -0.495 61.605 62.100 -0.000 0.000 1.030 637 T CB 0.592 69.462 68.868 0.003 0.000 0.912 637 T HN 0.302 nan 8.240 nan 0.000 0.483 638 L N 4.040 125.262 121.223 -0.001 0.000 2.346 638 L HA 0.661 5.001 4.340 -0.001 0.000 0.276 638 L C 0.438 177.314 176.870 0.010 0.000 1.006 638 L CA -0.973 53.867 54.840 -0.001 0.000 0.817 638 L CB 1.745 43.803 42.059 -0.001 0.000 1.272 638 L HN 0.376 nan 8.230 nan 0.000 0.421 639 R N 1.956 122.467 120.500 0.017 0.000 2.854 639 R HA 0.549 4.889 4.340 -0.001 0.000 0.271 639 R C -2.601 173.738 176.300 0.065 0.000 0.994 639 R CA -1.953 54.169 56.100 0.037 0.000 0.945 639 R CB 2.062 32.387 30.300 0.041 0.000 1.194 639 R HN 0.294 nan 8.270 nan 0.000 0.476 640 P HA 0.014 nan 4.420 nan 0.000 0.268 640 P C -1.265 176.121 177.300 0.142 0.000 1.204 640 P CA 0.227 63.375 63.100 0.080 0.000 0.768 640 P CB 0.303 32.026 31.700 0.038 0.000 0.842 641 F N 1.081 121.017 119.950 -0.023 0.000 2.499 641 F HA 0.473 4.999 4.527 -0.001 0.000 0.333 641 F C 0.038 175.821 175.800 -0.028 0.000 1.138 641 F CA -0.494 57.490 58.000 -0.026 0.000 0.945 641 F CB 0.994 39.971 39.000 -0.038 0.000 1.181 641 F HN 0.262 nan 8.300 nan 0.000 0.435 642 E N 6.666 126.591 120.200 -0.459 0.000 2.146 642 E HA 0.607 4.956 4.350 -0.001 0.000 0.282 642 E C -1.173 175.171 176.600 -0.427 0.000 0.989 642 E CA -0.506 55.706 56.400 -0.314 0.000 0.799 642 E CB 1.273 30.843 29.700 -0.216 0.000 1.088 642 E HN 0.663 nan 8.360 nan 0.000 0.397 643 I N 2.038 122.460 120.570 -0.246 0.000 2.404 643 I HA 0.426 4.595 4.170 -0.001 0.000 0.293 643 I C -0.208 175.803 176.117 -0.176 0.000 0.992 643 I CA -0.616 60.530 61.300 -0.256 0.000 1.149 643 I CB 2.618 40.389 38.000 -0.381 0.000 1.315 643 I HN 0.448 nan 8.210 nan 0.000 0.446 644 T N 3.996 118.479 114.554 -0.119 0.000 2.864 644 T HA 0.477 4.827 4.350 -0.001 0.000 0.299 644 T C -0.154 174.565 174.700 0.032 0.000 1.011 644 T CA -0.602 61.477 62.100 -0.035 0.000 0.975 644 T CB 1.337 70.188 68.868 -0.028 0.000 0.962 644 T HN 0.518 nan 8.240 nan 0.000 0.448 651 K N 2.556 122.931 120.400 -0.042 0.000 2.059 651 K HA -0.120 4.199 4.320 -0.001 0.000 0.212 651 K C 1.111 177.777 176.600 0.110 0.000 1.050 651 K CA 2.507 58.798 56.287 0.006 0.000 0.927 651 K CB 0.024 32.496 32.500 -0.048 0.000 0.714 651 K HN 0.703 nan 8.250 nan 0.000 0.447 652 E N 0.166 120.424 120.200 0.096 0.000 2.437 652 E HA 0.093 4.442 4.350 -0.001 0.000 0.189 652 E C -0.373 176.350 176.600 0.205 0.000 1.054 652 E CA 0.097 56.614 56.400 0.195 0.000 0.874 652 E CB 0.472 30.224 29.700 0.087 0.000 1.011 652 E HN 0.233 nan 8.360 nan 0.000 0.474 653 S N 1.146 116.904 115.700 0.097 0.000 2.549 653 S HA 0.249 4.718 4.470 -0.001 0.000 0.280 653 S C 0.398 174.817 174.600 -0.300 0.000 1.109 653 S CA -0.740 57.319 58.200 -0.235 0.000 0.905 653 S CB 0.814 63.892 63.200 -0.203 0.000 1.081 653 S HN 0.092 nan 8.310 nan 0.000 0.477 654 N N 2.918 121.222 118.700 -0.661 0.000 2.398 654 N HA 0.033 4.772 4.740 -0.001 0.000 0.188 654 N C 0.030 175.461 175.510 -0.132 0.000 1.122 654 N CA 0.070 52.899 53.050 -0.368 0.000 0.866 654 N CB -0.196 37.986 38.487 -0.509 0.000 0.970 654 N HN 0.613 nan 8.380 nan 0.000 0.462 655 Q N 0.463 120.196 119.800 -0.111 0.000 2.327 655 Q HA 0.332 4.671 4.340 -0.001 0.000 0.254 655 Q C -0.629 175.412 176.000 0.068 0.000 0.952 655 Q CA -0.116 55.726 55.803 0.066 0.000 0.884 655 Q CB 1.620 30.481 28.738 0.206 0.000 1.224 655 Q HN 0.253 nan 8.270 nan 0.000 0.422 656 L N 3.280 124.541 121.223 0.064 0.000 2.307 656 L HA 0.463 4.802 4.340 -0.001 0.000 0.284 656 L C -0.875 175.834 176.870 -0.268 0.000 1.023 656 L CA -0.411 54.355 54.840 -0.124 0.000 0.810 656 L CB 0.815 42.736 42.059 -0.231 0.000 1.231 656 L HN 0.571 nan 8.230 nan 0.000 0.423 657 F N 2.915 122.509 119.950 -0.593 0.000 2.436 657 F HA 0.483 5.009 4.527 -0.001 0.000 0.340 657 F C -0.397 174.966 175.800 -0.728 0.000 1.113 657 F CA -0.823 56.829 58.000 -0.580 0.000 1.022 657 F CB 1.463 40.339 39.000 -0.207 0.000 1.128 657 F HN 0.228 nan 8.300 nan 0.000 0.466 658 F N 1.167 120.972 119.950 -0.242 0.000 2.532 658 F HA 0.456 4.982 4.527 -0.001 0.000 0.321 658 F C -0.386 175.229 175.800 -0.308 0.000 1.089 658 F CA -1.038 56.753 58.000 -0.348 0.000 0.926 658 F CB 1.582 40.152 39.000 -0.717 0.000 1.168 658 F HN 0.317 nan 8.300 nan 0.000 0.459 659 E N 1.299 121.569 120.200 0.117 0.000 2.220 659 E HA 0.397 4.747 4.350 -0.001 0.000 0.256 659 E C -1.239 175.503 176.600 0.237 0.000 0.881 659 E CA -0.528 55.969 56.400 0.162 0.000 0.766 659 E CB 2.017 31.789 29.700 0.120 0.000 1.187 659 E HN 0.578 nan 8.360 nan 0.000 0.419 660 T N 2.117 116.897 114.554 0.377 0.000 2.824 660 T HA 0.445 4.795 4.350 -0.001 0.000 0.280 660 T C -0.466 174.378 174.700 0.240 0.000 0.995 660 T CA -0.389 61.938 62.100 0.378 0.000 1.009 660 T CB 1.512 70.757 68.868 0.629 0.000 0.955 660 T HN 0.238 nan 8.240 nan 0.000 0.452 661 T N 3.975 118.596 114.554 0.113 0.000 2.848 661 T HA 0.719 5.068 4.350 -0.001 0.000 0.285 661 T C -0.368 174.327 174.700 -0.007 0.000 0.995 661 T CA -0.675 61.435 62.100 0.017 0.000 0.970 661 T CB 0.713 69.570 68.868 -0.017 0.000 0.976 661 T HN 0.669 nan 8.240 nan 0.000 0.441 662 I N 0.149 120.724 120.570 0.007 0.000 2.969 662 I HA 0.796 4.965 4.170 -0.001 0.000 0.307 662 I C -1.265 174.846 176.117 -0.010 0.000 1.149 662 I CA -1.124 60.144 61.300 -0.053 0.000 1.008 662 I CB 2.551 40.599 38.000 0.080 0.000 1.232 662 I HN 0.431 nan 8.210 nan 0.000 0.435 663 N N 3.211 121.860 118.700 -0.086 0.000 2.776 663 N HA 0.224 4.963 4.740 -0.001 0.000 0.245 663 N C -1.173 174.377 175.510 0.066 0.000 1.121 663 N CA -0.396 52.653 53.050 -0.002 0.000 0.852 663 N CB 0.463 38.921 38.487 -0.048 0.000 1.142 663 N HN 0.770 nan 8.380 nan 0.000 0.514 664 N N 2.161 121.009 118.700 0.246 0.000 2.406 664 N HA -0.023 4.716 4.740 -0.001 0.000 0.274 664 N C -0.547 175.128 175.510 0.275 0.000 1.249 664 N CA 0.288 53.567 53.050 0.382 0.000 0.951 664 N CB 0.416 39.180 38.487 0.462 0.000 1.241 664 N HN 0.495 nan 8.380 nan 0.000 0.485 665 Q N 3.467 123.413 119.800 0.244 0.000 2.155 665 Q HA 0.260 4.599 4.340 -0.001 0.000 0.273 665 Q C -0.287 175.791 176.000 0.130 0.000 0.857 665 Q CA -0.149 55.748 55.803 0.157 0.000 1.116 665 Q CB 0.165 28.965 28.738 0.104 0.000 1.209 665 Q HN 0.706 nan 8.270 nan 0.000 0.460 666 I N -4.763 115.885 120.570 0.129 0.000 2.969 666 I HA 0.917 5.086 4.170 -0.001 0.000 0.307 666 I C -0.681 175.467 176.117 0.052 0.000 1.149 666 I CA -1.075 60.225 61.300 -0.001 0.000 1.008 666 I CB 1.834 39.715 38.000 -0.198 0.000 1.232 666 I HN -0.205 nan 8.210 nan 0.000 0.435 667 K N 1.286 121.721 120.400 0.058 0.000 2.400 667 K HA 0.624 4.943 4.320 -0.001 0.000 0.246 667 K C -0.330 176.388 176.600 0.198 0.000 0.995 667 K CA -0.066 56.324 56.287 0.172 0.000 0.840 667 K CB 0.352 32.919 32.500 0.113 0.000 1.293 667 K HN 0.873 nan 8.250 nan 0.000 0.445 668 D N 1.610 122.127 120.400 0.195 0.000 2.716 668 D HA -0.138 4.501 4.640 -0.001 0.000 0.239 668 D C 0.082 176.506 176.300 0.206 0.000 1.125 668 D CA 1.801 55.891 54.000 0.151 0.000 0.681 668 D CB -1.640 39.220 40.800 0.100 0.000 1.070 668 D HN 1.021 nan 8.370 nan 0.000 0.432 669 H N -1.933 117.158 119.070 0.035 0.000 2.960 669 H HA 0.726 5.281 4.556 -0.001 0.000 0.323 669 H C -1.149 174.197 175.328 0.030 0.000 1.326 669 H CA -0.945 55.116 56.048 0.023 0.000 1.124 669 H CB 1.905 31.635 29.762 -0.053 0.000 1.853 669 H HN 0.037 nan 8.280 nan 0.000 0.536 670 R N 1.212 121.607 120.500 -0.175 0.000 2.604 670 R HA 0.444 4.783 4.340 -0.001 0.000 0.281 670 R C -1.836 174.345 176.300 -0.198 0.000 1.020 670 R CA -0.894 55.053 56.100 -0.256 0.000 0.899 670 R CB 2.226 32.442 30.300 -0.139 0.000 1.205 670 R HN 0.590 nan 8.270 nan 0.000 0.450 671 L N 4.209 125.288 121.223 -0.240 0.000 2.376 671 L HA 0.588 4.927 4.340 -0.001 0.000 0.275 671 L C -1.160 175.601 176.870 -0.182 0.000 0.987 671 L CA -0.296 54.464 54.840 -0.134 0.000 0.828 671 L CB 1.428 43.456 42.059 -0.051 0.000 1.249 671 L HN 0.599 nan 8.230 nan 0.000 0.409 672 R N 3.295 123.709 120.500 -0.145 0.000 2.854 672 R HA 0.811 5.150 4.340 -0.001 0.000 0.271 672 R C -1.488 174.698 176.300 -0.191 0.000 0.994 672 R CA -1.031 54.949 56.100 -0.200 0.000 0.945 672 R CB 2.329 32.493 30.300 -0.227 0.000 1.194 672 R HN 0.389 nan 8.270 nan 0.000 0.476 673 V N 3.041 122.752 119.914 -0.339 0.000 2.459 673 V HA 0.474 4.593 4.120 -0.001 0.000 0.295 673 V C -1.382 174.357 176.094 -0.591 0.000 1.029 673 V CA -0.853 61.062 62.300 -0.641 0.000 0.874 673 V CB 1.451 32.787 31.823 -0.812 0.000 0.985 673 V HN 0.418 nan 8.190 nan 0.000 0.438 674 L N 7.143 127.952 121.223 -0.691 0.000 2.325 674 L HA 0.634 4.974 4.340 -0.001 0.000 0.278 674 L C -0.676 175.758 176.870 -0.726 0.000 1.023 674 L CA -0.173 54.374 54.840 -0.488 0.000 0.811 674 L CB 1.441 43.312 42.059 -0.314 0.000 1.249 674 L HN 0.577 nan 8.230 nan 0.000 0.431 675 F N 3.101 122.947 119.950 -0.173 0.000 2.552 675 F HA 0.417 4.943 4.527 -0.001 0.000 0.369 675 F C -2.095 173.653 175.800 -0.086 0.000 1.112 675 F CA -1.952 55.965 58.000 -0.139 0.000 1.129 675 F CB 1.088 40.005 39.000 -0.139 0.000 1.360 675 F HN 0.291 nan 8.300 nan 0.000 0.473 676 P HA 0.090 nan 4.420 nan 0.000 0.267 676 P C 0.609 177.994 177.300 0.142 0.000 1.205 676 P CA 0.396 63.535 63.100 0.065 0.000 0.765 676 P CB 1.257 32.976 31.700 0.032 0.000 0.828 677 T N 1.438 116.077 114.554 0.142 0.000 3.034 677 T HA 0.352 4.701 4.350 -0.001 0.000 0.248 677 T C 0.687 175.569 174.700 0.303 0.000 1.040 677 T CA 0.900 63.123 62.100 0.204 0.000 1.107 677 T CB -0.499 68.433 68.868 0.105 0.000 0.932 677 T HN 0.761 nan 8.240 nan 0.000 0.474 681 T N 4.945 119.518 114.554 0.032 0.000 2.887 681 T HA 0.561 4.910 4.350 -0.001 0.000 0.292 681 T C 0.412 175.135 174.700 0.039 0.000 1.087 681 T CA -0.399 61.717 62.100 0.027 0.000 1.009 681 T CB 2.250 71.128 68.868 0.016 0.000 1.203 681 T HN 0.739 nan 8.240 nan 0.000 0.518 682 E N 0.968 121.190 120.200 0.035 0.000 2.250 682 E HA 0.068 4.418 4.350 -0.001 0.000 0.192 682 E C 1.034 177.676 176.600 0.070 0.000 0.986 682 E CA 0.697 57.124 56.400 0.046 0.000 0.849 682 E CB 0.299 30.018 29.700 0.032 0.000 0.797 682 E HN 0.778 nan 8.360 nan 0.000 0.482 683 T N -0.710 113.880 114.554 0.060 0.000 2.916 683 T HA 0.483 4.832 4.350 -0.001 0.000 0.292 683 T C -0.202 174.563 174.700 0.107 0.000 1.064 683 T CA -0.940 61.196 62.100 0.060 0.000 1.011 683 T CB 2.457 71.321 68.868 -0.006 0.000 1.152 683 T HN 0.150 nan 8.240 nan 0.000 0.510 684 H N -0.502 118.598 119.070 0.049 0.000 2.943 684 H HA 0.675 5.231 4.556 -0.001 0.000 0.323 684 H C -1.489 173.894 175.328 0.091 0.000 1.296 684 H CA -0.900 55.185 56.048 0.063 0.000 1.155 684 H CB 1.513 31.325 29.762 0.084 0.000 1.882 684 H HN 0.751 nan 8.280 nan 0.000 0.553 685 E N -0.085 120.200 120.200 0.140 0.000 2.238 685 E HA 0.673 5.023 4.350 -0.001 0.000 0.267 685 E C -1.380 175.278 176.600 0.096 0.000 0.887 685 E CA -1.151 55.304 56.400 0.092 0.000 0.769 685 E CB 2.659 32.504 29.700 0.243 0.000 1.187 685 E HN 0.745 nan 8.360 nan 0.000 0.416 686 A N 2.569 125.367 122.820 -0.036 0.000 2.475 686 A HA 0.405 4.725 4.320 -0.001 0.000 0.301 686 A C -1.183 176.170 177.584 -0.384 0.000 1.059 686 A CA -0.800 51.104 52.037 -0.221 0.000 0.710 686 A CB 1.557 20.476 19.000 -0.136 0.000 1.288 686 A HN 0.629 nan 8.150 nan 0.000 0.408 687 D N 0.724 120.609 120.400 -0.859 0.000 2.414 687 D HA 0.492 5.131 4.640 -0.001 0.000 0.242 687 D C 0.562 176.655 176.300 -0.344 0.000 1.129 687 D CA 1.322 54.808 54.000 -0.856 0.000 0.885 687 D CB 1.049 41.038 40.800 -1.351 0.000 1.198 687 D HN 0.490 nan 8.370 nan 0.000 0.437 688 S N 2.080 117.673 115.700 -0.179 0.000 4.205 688 S HA 0.506 4.976 4.470 -0.001 0.000 0.268 688 S C -1.192 173.339 174.600 -0.114 0.000 1.082 688 S CA -0.679 57.474 58.200 -0.078 0.000 1.431 688 S CB 0.272 63.455 63.200 -0.029 0.000 1.370 688 S HN 0.353 nan 8.310 nan 0.000 0.740 689 I N 2.993 123.496 120.570 -0.112 0.000 2.328 689 I HA 0.362 4.531 4.170 -0.001 0.000 0.287 689 I C -0.804 175.165 176.117 -0.246 0.000 1.012 689 I CA 0.044 61.222 61.300 -0.203 0.000 1.195 689 I CB -0.245 37.705 38.000 -0.085 0.000 1.350 689 I HN 0.795 nan 8.210 nan 0.000 0.464 690 Y N 3.384 123.343 120.300 -0.568 0.000 3.054 690 Y HA -0.268 4.281 4.550 -0.001 0.000 0.210 690 Y C 0.697 176.139 175.900 -0.763 0.000 1.212 690 Y CA 1.013 58.379 58.100 -1.224 0.000 1.118 690 Y CB -1.100 36.947 38.460 -0.689 0.000 1.292 690 Y HN 0.698 nan 8.280 nan 0.000 0.533 691 E N -1.257 118.795 120.200 -0.246 0.000 2.584 691 E HA 0.489 4.838 4.350 -0.001 0.000 0.295 691 E C -1.829 174.890 176.600 0.198 0.000 1.109 691 E CA -0.651 55.845 56.400 0.159 0.000 0.900 691 E CB 1.190 30.912 29.700 0.038 0.000 1.195 691 E HN -0.065 nan 8.360 nan 0.000 0.433 692 V N 3.438 123.542 119.914 0.316 0.000 2.347 692 V HA 0.397 4.516 4.120 -0.001 0.000 0.280 692 V C 0.027 176.216 176.094 0.159 0.000 1.021 692 V CA -0.695 61.730 62.300 0.209 0.000 0.847 692 V CB 1.258 33.275 31.823 0.323 0.000 0.990 692 V HN 0.471 nan 8.190 nan 0.000 0.444 693 V N 4.792 124.738 119.914 0.053 0.000 2.532 693 V HA 0.506 4.625 4.120 -0.001 0.000 0.295 693 V C 0.417 176.512 176.094 0.001 0.000 1.041 693 V CA 0.055 62.368 62.300 0.023 0.000 0.926 693 V CB 2.344 34.166 31.823 -0.002 0.000 0.992 693 V HN 0.971 nan 8.190 nan 0.000 0.457 694 T N 7.982 122.534 114.554 -0.003 0.000 2.728 694 T HA 0.530 4.879 4.350 -0.001 0.000 0.296 694 T C -0.225 174.402 174.700 -0.122 0.000 0.940 694 T CA -0.303 61.765 62.100 -0.055 0.000 1.013 694 T CB 0.147 69.025 68.868 0.015 0.000 0.912 694 T HN 0.718 nan 8.240 nan 0.000 0.484 695 R N 3.523 123.843 120.500 -0.299 0.000 2.854 695 R HA 0.551 4.891 4.340 -0.001 0.000 0.271 695 R C -2.827 173.369 176.300 -0.172 0.000 0.996 695 R CA -2.448 53.519 56.100 -0.221 0.000 0.961 695 R CB 1.261 31.474 30.300 -0.145 0.000 1.182 695 R HN 0.335 nan 8.270 nan 0.000 0.479 696 P HA 0.068 nan 4.420 nan 0.000 0.276 696 P C -0.834 176.603 177.300 0.228 0.000 1.244 696 P CA -0.457 62.697 63.100 0.091 0.000 0.801 696 P CB 0.558 32.293 31.700 0.057 0.000 1.006 706 P HA 0.090 nan 4.420 nan 0.000 0.231 706 P C 0.147 177.469 177.300 0.036 0.000 1.168 706 P CA 0.590 63.713 63.100 0.038 0.000 0.779 706 P CB 0.032 31.744 31.700 0.020 0.000 0.844 707 T N -1.228 113.361 114.554 0.057 0.000 2.902 707 T HA 0.371 4.720 4.350 -0.001 0.000 0.280 707 T C 0.191 174.902 174.700 0.018 0.000 0.992 707 T CA -0.816 61.308 62.100 0.040 0.000 1.015 707 T CB 0.904 69.826 68.868 0.089 0.000 1.044 707 T HN -0.031 nan 8.240 nan 0.000 0.520 708 N N 1.708 120.391 118.700 -0.028 0.000 2.703 708 N HA 0.239 4.978 4.740 -0.001 0.000 0.283 708 N C -2.959 172.471 175.510 -0.132 0.000 1.851 708 N CA -0.973 52.046 53.050 -0.052 0.000 0.826 708 N CB 1.274 39.739 38.487 -0.037 0.000 1.239 708 N HN 0.506 nan 8.380 nan 0.000 0.495 709 P HA 0.070 nan 4.420 nan 0.000 0.269 709 P C -0.450 176.684 177.300 -0.277 0.000 1.215 709 P CA 0.354 63.325 63.100 -0.216 0.000 0.780 709 P CB 1.304 32.929 31.700 -0.126 0.000 0.898 710 Q N -0.288 119.221 119.800 -0.484 0.000 2.534 710 Q HA 0.353 4.692 4.340 -0.001 0.000 0.290 710 Q C -1.316 174.498 176.000 -0.311 0.000 0.991 710 Q CA -0.725 54.792 55.803 -0.476 0.000 0.783 710 Q CB 1.890 30.151 28.738 -0.795 0.000 1.470 710 Q HN 0.577 nan 8.270 nan 0.000 0.406 711 H N 0.763 119.803 119.070 -0.049 0.000 2.458 711 H HA 0.446 5.002 4.556 -0.001 0.000 0.330 711 H C -1.262 174.233 175.328 0.278 0.000 1.111 711 H CA -0.164 55.941 56.048 0.094 0.000 1.245 711 H CB 0.984 30.767 29.762 0.035 0.000 1.456 711 H HN 0.514 nan 8.280 nan 0.000 0.488 712 Q N 3.403 122.887 119.800 -0.527 0.000 2.451 712 Q HA 0.378 4.717 4.340 -0.001 0.000 0.281 712 Q C -0.632 175.020 176.000 -0.580 0.000 1.099 712 Q CA -1.154 54.410 55.803 -0.397 0.000 0.806 712 Q CB 2.278 30.843 28.738 -0.288 0.000 1.419 712 Q HN 0.541 nan 8.270 nan 0.000 0.427 713 Q N 0.643 120.227 119.800 -0.361 0.000 2.961 713 Q HA 0.272 4.611 4.340 -0.001 0.000 0.300 713 Q C 1.654 177.555 176.000 -0.165 0.000 1.143 713 Q CA 0.816 56.492 55.803 -0.211 0.000 0.398 713 Q CB -0.774 27.885 28.738 -0.132 0.000 5.422 713 Q HN 0.836 nan 8.270 nan 0.000 0.333 714 A N 0.036 122.782 122.820 -0.124 0.000 2.066 714 A HA 0.135 4.454 4.320 -0.001 0.000 0.218 714 A C 0.488 178.140 177.584 0.113 0.000 1.157 714 A CA 1.071 53.150 52.037 0.070 0.000 0.670 714 A CB -0.242 18.943 19.000 0.309 0.000 0.804 714 A HN 0.444 nan 8.150 nan 0.000 0.453 715 F N -5.236 114.661 119.950 -0.089 0.000 2.770 715 F HA 0.645 5.171 4.527 -0.001 0.000 0.313 715 F C -1.271 174.377 175.800 -0.253 0.000 1.154 715 F CA -1.309 56.612 58.000 -0.131 0.000 0.923 715 F CB 1.062 39.994 39.000 -0.113 0.000 1.301 715 F HN -0.021 nan 8.300 nan 0.000 0.449 716 V N 1.597 121.525 119.914 0.024 0.000 2.962 716 V HA 0.652 4.771 4.120 -0.001 0.000 0.313 716 V C -1.776 174.382 176.094 0.107 0.000 1.099 716 V CA -0.464 61.758 62.300 -0.129 0.000 0.971 716 V CB 1.997 33.460 31.823 -0.601 0.000 1.028 716 V HN 1.075 nan 8.190 nan 0.000 0.430 717 N N 3.707 122.507 118.700 0.167 0.000 2.260 717 N HA 0.547 5.286 4.740 -0.001 0.000 0.293 717 N C -2.073 173.575 175.510 0.231 0.000 1.058 717 N CA -0.205 52.989 53.050 0.239 0.000 0.824 717 N CB 2.389 41.134 38.487 0.429 0.000 1.551 717 N HN 0.463 nan 8.380 nan 0.000 0.475 718 V N 4.842 124.856 119.914 0.167 0.000 2.487 718 V HA 0.495 4.614 4.120 -0.001 0.000 0.298 718 V C -0.275 175.920 176.094 0.169 0.000 1.028 718 V CA -0.616 61.770 62.300 0.144 0.000 0.860 718 V CB 1.314 33.186 31.823 0.081 0.000 0.991 718 V HN 0.840 nan 8.190 nan 0.000 0.427 719 H N 1.578 120.709 119.070 0.102 0.000 3.008 719 H HA 0.651 5.206 4.556 -0.001 0.000 0.354 719 H C -1.714 173.670 175.328 0.093 0.000 1.252 719 H CA -0.828 55.274 56.048 0.091 0.000 1.117 719 H CB 2.582 32.473 29.762 0.215 0.000 1.857 719 H HN 0.459 nan 8.280 nan 0.000 0.547 720 D N -0.343 120.178 120.400 0.202 0.000 2.588 720 D HA 0.013 4.652 4.640 -0.001 0.000 0.268 720 D C 1.429 177.852 176.300 0.206 0.000 1.176 720 D CA -0.325 53.752 54.000 0.128 0.000 1.080 720 D CB 1.332 42.196 40.800 0.107 0.000 1.186 720 D HN 0.641 nan 8.370 nan 0.000 0.619 721 Q N 0.121 119.997 119.800 0.127 0.000 2.436 721 Q HA -0.047 4.293 4.340 -0.001 0.000 0.209 721 Q C 0.203 176.269 176.000 0.109 0.000 0.965 721 Q CA 1.311 57.185 55.803 0.119 0.000 0.910 721 Q CB -0.004 28.780 28.738 0.077 0.000 0.980 721 Q HN 0.258 nan 8.270 nan 0.000 0.491 722 N N 0.622 119.385 118.700 0.105 0.000 2.445 722 N HA 0.108 4.848 4.740 -0.001 0.000 0.204 722 N C -0.271 175.294 175.510 0.092 0.000 1.098 722 N CA 0.579 53.678 53.050 0.081 0.000 0.859 722 N CB 0.807 39.323 38.487 0.050 0.000 1.249 722 N HN 0.388 nan 8.380 nan 0.000 0.462 723 K N -1.105 119.355 120.400 0.101 0.000 2.555 723 K HA 0.771 5.090 4.320 -0.001 0.000 0.279 723 K C -0.761 175.799 176.600 -0.067 0.000 0.986 723 K CA -1.178 55.139 56.287 0.050 0.000 0.880 723 K CB 2.003 34.575 32.500 0.120 0.000 1.474 723 K HN -0.048 nan 8.250 nan 0.000 0.433 724 G N 0.139 108.629 108.800 -0.516 0.000 2.704 724 G HA2 0.571 4.530 3.960 -0.001 0.000 0.293 724 G HA3 0.571 4.530 3.960 -0.001 0.000 0.293 724 G C -1.754 172.765 174.900 -0.635 0.000 1.421 724 G CA -0.818 43.843 45.100 -0.732 0.000 0.870 724 G HN 0.324 nan 8.290 nan 0.000 0.492 725 V N 0.577 120.286 119.914 -0.342 0.000 2.483 725 V HA 0.605 4.724 4.120 -0.001 0.000 0.297 725 V C -0.238 175.777 176.094 -0.132 0.000 1.027 725 V CA -0.615 61.491 62.300 -0.324 0.000 0.855 725 V CB 1.806 33.380 31.823 -0.415 0.000 0.995 725 V HN 0.775 nan 8.190 nan 0.000 0.424 726 T N 6.385 120.884 114.554 -0.091 0.000 2.772 726 T HA 0.571 4.921 4.350 -0.001 0.000 0.288 726 T C -0.370 174.294 174.700 -0.060 0.000 0.994 726 T CA -0.285 61.816 62.100 0.003 0.000 0.951 726 T CB 0.706 69.598 68.868 0.040 0.000 0.933 726 T HN 0.287 nan 8.240 nan 0.000 0.447 727 I N 5.463 125.966 120.570 -0.112 0.000 2.339 727 I HA 0.484 4.653 4.170 -0.001 0.000 0.290 727 I C -0.172 175.913 176.117 -0.053 0.000 0.994 727 I CA -1.328 59.801 61.300 -0.285 0.000 1.191 727 I CB 0.357 38.084 38.000 -0.455 0.000 1.343 727 I HN 0.572 nan 8.210 nan 0.000 0.458 728 F N 4.343 124.252 119.950 -0.068 0.000 2.575 728 F HA 0.818 5.344 4.527 -0.001 0.000 0.330 728 F C -0.403 175.404 175.800 0.012 0.000 1.056 728 F CA -1.065 56.931 58.000 -0.007 0.000 0.964 728 F CB 1.406 40.377 39.000 -0.048 0.000 1.258 728 F HN 0.587 nan 8.300 nan 0.000 0.484 729 N N -1.886 116.950 118.700 0.227 0.000 2.710 729 N HA 0.346 5.086 4.740 -0.001 0.000 0.257 729 N C -2.407 173.191 175.510 0.147 0.000 1.327 729 N CA -1.050 52.089 53.050 0.148 0.000 0.861 729 N CB 2.025 40.552 38.487 0.067 0.000 1.532 729 N HN 0.710 nan 8.380 nan 0.000 0.499 730 E N -0.055 120.227 120.200 0.136 0.000 2.114 730 E HA 0.437 4.786 4.350 -0.001 0.000 0.266 730 E C -0.020 176.638 176.600 0.097 0.000 0.896 730 E CA -0.700 55.761 56.400 0.102 0.000 0.750 730 E CB 1.195 30.946 29.700 0.084 0.000 1.121 730 E HN 0.962 nan 8.360 nan 0.000 0.413 731 G N 3.202 112.043 108.800 0.068 0.000 2.176 731 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.252 731 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.252 731 G C -0.196 174.741 174.900 0.062 0.000 1.024 731 G CA -0.237 44.900 45.100 0.061 0.000 0.755 731 G HN 0.342 nan 8.290 nan 0.000 0.507 732 L N 0.585 121.827 121.223 0.032 0.000 2.387 732 L HA 0.425 4.765 4.340 -0.001 0.000 0.259 732 L C 0.874 177.711 176.870 -0.055 0.000 1.050 732 L CA -0.426 54.403 54.840 -0.019 0.000 0.922 732 L CB 0.369 42.400 42.059 -0.046 0.000 1.280 732 L HN 0.251 nan 8.230 nan 0.000 0.449 733 N N 0.698 119.367 118.700 -0.052 0.000 2.353 733 N HA 0.035 4.774 4.740 -0.001 0.000 0.185 733 N C 0.321 175.789 175.510 -0.071 0.000 1.098 733 N CA 0.026 53.016 53.050 -0.101 0.000 0.872 733 N CB 0.790 39.242 38.487 -0.058 0.000 0.970 733 N HN 0.541 nan 8.380 nan 0.000 0.467 734 E N 0.862 121.037 120.200 -0.042 0.000 2.191 734 E HA 0.223 4.572 4.350 -0.001 0.000 0.274 734 E C -1.363 175.230 176.600 -0.013 0.000 0.948 734 E CA -0.811 55.557 56.400 -0.054 0.000 0.802 734 E CB 0.762 30.398 29.700 -0.106 0.000 1.137 734 E HN 0.155 nan 8.360 nan 0.000 0.397 735 Y N 0.468 120.686 120.300 -0.138 0.000 2.597 735 Y HA 0.591 5.140 4.550 -0.001 0.000 0.340 735 Y C -1.392 174.421 175.900 -0.146 0.000 1.097 735 Y CA -1.170 56.840 58.100 -0.150 0.000 1.037 735 Y CB 1.373 39.745 38.460 -0.146 0.000 1.305 735 Y HN 0.491 nan 8.280 nan 0.000 0.463 736 E N 1.439 121.557 120.200 -0.137 0.000 2.293 736 E HA 0.696 5.046 4.350 -0.001 0.000 0.270 736 E C -2.009 174.559 176.600 -0.053 0.000 0.879 736 E CA -1.152 55.135 56.400 -0.189 0.000 0.756 736 E CB 2.482 32.081 29.700 -0.168 0.000 1.208 736 E HN 0.670 nan 8.360 nan 0.000 0.428 737 V N 4.981 124.832 119.914 -0.104 0.000 2.334 737 V HA 0.247 4.367 4.120 -0.001 0.000 0.281 737 V C -0.300 175.762 176.094 -0.054 0.000 1.016 737 V CA -0.765 61.485 62.300 -0.083 0.000 0.832 737 V CB 0.786 32.501 31.823 -0.181 0.000 0.999 737 V HN 0.635 nan 8.190 nan 0.000 0.439 738 L N 3.483 124.684 121.223 -0.035 0.000 2.466 738 L HA 0.414 4.753 4.340 -0.001 0.000 0.257 738 L C 1.743 178.609 176.870 -0.007 0.000 1.189 738 L CA 0.817 55.642 54.840 -0.026 0.000 0.813 738 L CB 0.429 42.470 42.059 -0.029 0.000 1.118 738 L HN 0.667 nan 8.230 nan 0.000 0.471 739 A N 1.084 123.902 122.820 -0.002 0.000 1.978 739 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 739 A C 1.436 179.027 177.584 0.011 0.000 1.170 739 A CA 1.636 53.677 52.037 0.008 0.000 0.636 739 A CB -0.802 18.201 19.000 0.006 0.000 0.810 739 A HN 0.886 nan 8.150 nan 0.000 0.448 740 D N -2.048 118.356 120.400 0.007 0.000 2.363 740 D HA 0.247 4.886 4.640 -0.001 0.000 0.226 740 D C 1.143 177.456 176.300 0.022 0.000 1.020 740 D CA 0.994 55.001 54.000 0.012 0.000 0.892 740 D CB -0.652 40.151 40.800 0.005 0.000 0.900 740 D HN 0.875 nan 8.370 nan 0.000 0.531 741 G N -0.589 108.225 108.800 0.023 0.000 2.141 741 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.231 741 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.231 741 G C 0.254 175.174 174.900 0.034 0.000 0.984 741 G CA 0.171 45.292 45.100 0.034 0.000 0.660 741 G HN 0.445 nan 8.290 nan 0.000 0.525 742 T N 1.289 115.853 114.554 0.017 0.000 2.870 742 T HA 0.493 4.843 4.350 -0.001 0.000 0.300 742 T C 0.845 175.554 174.700 0.015 0.000 0.989 742 T CA 0.205 62.314 62.100 0.015 0.000 1.139 742 T CB 1.392 70.249 68.868 -0.017 0.000 0.920 742 T HN 0.301 nan 8.240 nan 0.000 0.537 743 I N 2.909 123.511 120.570 0.053 0.000 2.297 743 I HA 0.428 4.598 4.170 -0.001 0.000 0.291 743 I C 0.423 176.595 176.117 0.092 0.000 1.033 743 I CA -0.631 60.705 61.300 0.059 0.000 1.253 743 I CB 0.686 38.711 38.000 0.041 0.000 1.396 743 I HN 0.636 nan 8.210 nan 0.000 0.476 744 A N 7.270 130.101 122.820 0.019 0.000 2.273 744 A HA 0.660 4.979 4.320 -0.001 0.000 0.315 744 A C -0.462 177.094 177.584 -0.047 0.000 1.256 744 A CA -0.466 51.544 52.037 -0.046 0.000 0.851 744 A CB 0.820 19.755 19.000 -0.108 0.000 1.172 744 A HN 0.452 nan 8.150 nan 0.000 0.508 745 V N 2.556 122.428 119.914 -0.069 0.000 2.439 745 V HA 0.339 4.458 4.120 -0.001 0.000 0.282 745 V C 0.664 176.623 176.094 -0.224 0.000 1.039 745 V CA -0.321 61.906 62.300 -0.121 0.000 0.913 745 V CB 1.560 33.291 31.823 -0.154 0.000 0.983 745 V HN 0.875 nan 8.190 nan 0.000 0.460 746 T N 6.127 120.547 114.554 -0.224 0.000 2.794 746 T HA 0.357 4.707 4.350 -0.001 0.000 0.296 746 T C 1.173 175.656 174.700 -0.362 0.000 0.949 746 T CA -0.130 61.801 62.100 -0.283 0.000 1.101 746 T CB 0.793 69.506 68.868 -0.259 0.000 0.905 746 T HN 0.450 nan 8.240 nan 0.000 0.516 747 L N 3.208 124.140 121.223 -0.485 0.000 2.221 747 L HA 0.496 4.835 4.340 -0.001 0.000 0.202 747 L C 0.718 177.172 176.870 -0.692 0.000 1.074 747 L CA 0.630 54.952 54.840 -0.863 0.000 0.795 747 L CB 0.160 41.518 42.059 -1.167 0.000 0.960 747 L HN 0.517 nan 8.230 nan 0.000 0.458 748 I N -0.851 119.459 120.570 -0.434 0.000 2.753 748 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 748 I C -1.322 174.617 176.117 -0.296 0.000 1.425 748 I CA -0.449 60.674 61.300 -0.294 0.000 1.039 748 I CB 2.162 40.039 38.000 -0.204 0.000 1.349 748 I HN -0.055 nan 8.210 nan 0.000 0.430 749 R N 6.264 126.624 120.500 -0.233 0.000 2.502 749 R HA 0.668 5.007 4.340 -0.001 0.000 0.300 749 R C -1.803 174.411 176.300 -0.144 0.000 0.984 749 R CA -0.466 55.513 56.100 -0.201 0.000 0.882 749 R CB 1.555 31.782 30.300 -0.122 0.000 1.180 749 R HN 0.660 nan 8.270 nan 0.000 0.444 750 C N 3.535 122.738 119.300 -0.162 0.000 2.345 750 C HA 0.774 5.233 4.460 -0.001 0.000 0.323 750 C C -0.411 174.605 174.990 0.044 0.000 1.276 750 C CA -0.830 58.171 59.018 -0.029 0.000 1.543 750 C CB 1.037 28.796 27.740 0.031 0.000 2.211 750 C HN 0.556 nan 8.230 nan 0.000 0.493 751 V N 1.978 121.929 119.914 0.062 0.000 3.120 751 V HA 0.738 4.857 4.120 -0.001 0.000 0.303 751 V C 0.582 176.723 176.094 0.078 0.000 1.238 751 V CA 0.211 62.551 62.300 0.067 0.000 1.008 751 V CB 2.482 34.333 31.823 0.046 0.000 1.064 751 V HN 0.984 nan 8.190 nan 0.000 0.434 752 G N 2.651 111.504 108.800 0.088 0.000 3.020 752 G HA2 0.341 4.300 3.960 -0.001 0.000 0.217 752 G HA3 0.341 4.300 3.960 -0.001 0.000 0.217 752 G C 0.145 175.113 174.900 0.114 0.000 1.144 752 G CA 0.703 45.864 45.100 0.102 0.000 0.760 752 G HN 0.823 nan 8.290 nan 0.000 0.548 753 E N -1.247 119.019 120.200 0.110 0.000 2.429 753 E HA 0.454 4.804 4.350 -0.001 0.000 0.276 753 E C 0.242 176.902 176.600 0.100 0.000 0.953 753 E CA -0.906 55.568 56.400 0.125 0.000 0.787 753 E CB 1.075 30.900 29.700 0.209 0.000 1.307 753 E HN -0.100 nan 8.360 nan 0.000 0.458 754 L N 0.939 122.233 121.223 0.117 0.000 2.072 754 L HA 0.164 4.503 4.340 -0.001 0.000 0.205 754 L C 1.062 178.040 176.870 0.180 0.000 1.079 754 L CA 2.057 56.960 54.840 0.105 0.000 0.752 754 L CB -0.450 41.670 42.059 0.101 0.000 0.906 754 L HN 1.020 nan 8.230 nan 0.000 0.436 755 G N -0.766 108.157 108.800 0.205 0.000 2.466 755 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 755 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 755 G C -0.135 174.883 174.900 0.197 0.000 1.237 755 G CA 0.003 45.223 45.100 0.199 0.000 0.954 755 G HN 0.492 nan 8.290 nan 0.000 0.580 756 D N -1.919 118.571 120.400 0.150 0.000 3.798 756 D HA -0.188 4.451 4.640 -0.001 0.000 0.150 756 D C 1.309 177.719 176.300 0.183 0.000 0.953 756 D CA 3.095 57.167 54.000 0.119 0.000 1.089 756 D CB -1.570 39.333 40.800 0.171 0.000 0.535 756 D HN 1.532 nan 8.370 nan 0.000 0.563 757 W N 1.753 123.156 121.300 0.171 0.000 3.330 757 W HA 0.584 5.243 4.660 -0.001 0.000 0.348 757 W C 0.365 176.993 176.519 0.181 0.000 1.205 757 W CA 0.457 57.892 57.345 0.150 0.000 1.841 757 W CB -0.500 29.033 29.460 0.121 0.000 1.084 757 W HN 0.531 nan 8.180 nan 0.000 0.665 758 G N 0.503 109.180 108.800 -0.205 0.000 2.490 758 G HA2 0.332 4.291 3.960 -0.001 0.000 0.308 758 G HA3 0.332 4.291 3.960 -0.001 0.000 0.308 758 G C -2.570 172.093 174.900 -0.395 0.000 1.286 758 G CA -0.936 43.915 45.100 -0.415 0.000 0.825 758 G HN 0.060 nan 8.290 nan 0.000 0.479 759 Y N 0.734 120.508 120.300 -0.876 0.000 2.356 759 Y HA 0.761 5.311 4.550 -0.001 0.000 0.334 759 Y C -1.616 173.699 175.900 -0.976 0.000 0.958 759 Y CA -2.528 55.182 58.100 -0.651 0.000 1.196 759 Y CB 0.768 39.001 38.460 -0.379 0.000 1.137 759 Y HN 0.278 nan 8.280 nan 0.000 0.485 760 F N 5.163 124.788 119.950 -0.541 0.000 2.610 760 F HA 0.625 5.152 4.527 -0.001 0.000 0.355 760 F C 0.267 175.777 175.800 -0.485 0.000 1.140 760 F CA -1.062 56.611 58.000 -0.545 0.000 1.037 760 F CB 0.969 39.790 39.000 -0.298 0.000 1.287 760 F HN 0.688 nan 8.300 nan 0.000 0.457 761 A N 1.852 124.339 122.820 -0.555 0.000 2.524 761 A HA 0.475 4.795 4.320 -0.001 0.000 0.250 761 A C 0.536 178.098 177.584 -0.035 0.000 1.078 761 A CA 0.075 51.988 52.037 -0.206 0.000 0.761 761 A CB -0.250 18.662 19.000 -0.146 0.000 1.012 761 A HN 0.758 nan 8.150 nan 0.000 0.500 762 T N 1.515 116.091 114.554 0.036 0.000 3.327 762 T HA 0.481 4.830 4.350 -0.001 0.000 0.373 762 T C -1.921 172.828 174.700 0.081 0.000 1.589 762 T CA -1.255 60.883 62.100 0.065 0.000 1.497 762 T CB 1.184 70.100 68.868 0.079 0.000 1.032 762 T HN 0.438 nan 8.240 nan 0.000 0.640 763 P HA -0.086 nan 4.420 nan 0.000 0.218 763 P C 1.064 178.422 177.300 0.096 0.000 1.149 763 P CA 1.035 64.185 63.100 0.083 0.000 0.817 763 P CB 0.319 32.061 31.700 0.070 0.000 0.785 764 E N 0.022 120.284 120.200 0.104 0.000 2.409 764 E HA -0.016 4.334 4.350 -0.001 0.000 0.198 764 E C 1.829 178.530 176.600 0.169 0.000 1.024 764 E CA 0.537 57.013 56.400 0.125 0.000 0.861 764 E CB -0.353 29.422 29.700 0.126 0.000 0.788 764 E HN 0.230 nan 8.360 nan 0.000 0.521 765 A N 0.934 123.840 122.820 0.143 0.000 2.239 765 A HA -0.094 4.225 4.320 -0.001 0.000 0.209 765 A C 1.767 179.425 177.584 0.123 0.000 1.171 765 A CA 0.452 52.565 52.037 0.127 0.000 0.768 765 A CB 0.033 19.074 19.000 0.069 0.000 0.790 765 A HN 0.072 nan 8.150 nan 0.000 0.478 766 Q N -1.662 118.220 119.800 0.136 0.000 2.432 766 Q HA 0.020 4.359 4.340 -0.001 0.000 0.205 766 Q C 0.526 176.627 176.000 0.169 0.000 0.945 766 Q CA 0.576 56.462 55.803 0.138 0.000 0.924 766 Q CB -0.484 28.335 28.738 0.135 0.000 1.016 766 Q HN 0.695 nan 8.270 nan 0.000 0.503 767 C N 2.851 122.278 119.300 0.212 0.000 4.167 767 C HA -0.123 4.336 4.460 -0.001 0.000 0.302 767 C C 0.374 175.580 174.990 0.361 0.000 1.384 767 C CA 0.071 59.267 59.018 0.297 0.000 2.041 767 C CB -2.306 25.535 27.740 0.169 0.000 1.303 767 C HN 0.387 nan 8.230 nan 0.000 0.718 768 Q N 0.243 120.200 119.800 0.262 0.000 2.352 768 Q HA 0.523 4.863 4.340 -0.001 0.000 0.260 768 Q C 0.795 176.926 176.000 0.218 0.000 0.976 768 Q CA 1.589 57.532 55.803 0.234 0.000 0.881 768 Q CB 1.308 30.132 28.738 0.143 0.000 1.235 768 Q HN 1.272 nan 8.270 nan 0.000 0.419 769 G N 1.698 110.614 108.800 0.193 0.000 2.384 769 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.668 769 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.668 769 G C -1.299 173.616 174.900 0.026 0.000 1.280 769 G CA -1.007 44.122 45.100 0.048 0.000 0.992 769 G HN 0.506 nan 8.290 nan 0.000 0.512 770 E N -0.273 119.839 120.200 -0.147 0.000 2.316 770 E HA 0.484 4.833 4.350 -0.001 0.000 0.275 770 E C -1.045 175.308 176.600 -0.412 0.000 1.029 770 E CA 0.203 56.509 56.400 -0.156 0.000 0.871 770 E CB 0.930 30.545 29.700 -0.142 0.000 1.022 770 E HN 0.387 nan 8.360 nan 0.000 0.418 771 Y N 0.391 120.602 120.300 -0.148 0.000 2.462 771 Y HA 0.266 4.815 4.550 -0.001 0.000 0.346 771 Y C 0.261 175.854 175.900 -0.511 0.000 0.976 771 Y CA -0.780 57.107 58.100 -0.354 0.000 1.044 771 Y CB 2.426 40.606 38.460 -0.467 0.000 1.230 771 Y HN 0.359 nan 8.280 nan 0.000 0.455 772 T N 2.748 117.061 114.554 -0.401 0.000 2.809 772 T HA 0.665 5.014 4.350 -0.001 0.000 0.284 772 T C -1.408 173.091 174.700 -0.336 0.000 0.992 772 T CA -0.542 61.364 62.100 -0.324 0.000 0.957 772 T CB -0.066 68.736 68.868 -0.110 0.000 0.942 772 T HN 0.285 nan 8.240 nan 0.000 0.439 773 F N 3.058 123.148 119.950 0.234 0.000 2.427 773 F HA 0.563 5.089 4.527 -0.001 0.000 0.346 773 F C 0.744 176.754 175.800 0.349 0.000 1.120 773 F CA -1.037 57.126 58.000 0.272 0.000 1.033 773 F CB 1.640 40.802 39.000 0.270 0.000 1.126 773 F HN 0.370 nan 8.300 nan 0.000 0.462 774 K N 4.250 124.909 120.400 0.430 0.000 2.265 774 K HA 0.542 4.861 4.320 -0.001 0.000 0.267 774 K C -1.278 175.530 176.600 0.347 0.000 0.994 774 K CA -0.680 55.776 56.287 0.282 0.000 0.860 774 K CB 1.522 34.092 32.500 0.117 0.000 1.099 774 K HN 0.667 nan 8.250 nan 0.000 0.448 775 Y N -0.781 119.536 120.300 0.028 0.000 2.900 775 Y HA 0.811 5.360 4.550 -0.001 0.000 0.318 775 Y C -0.245 175.398 175.900 -0.428 0.000 1.457 775 Y CA -1.326 56.695 58.100 -0.132 0.000 1.082 775 Y CB 1.009 39.467 38.460 -0.003 0.000 1.419 775 Y HN 0.606 nan 8.280 nan 0.000 0.459 776 G N -0.206 108.075 108.800 -0.866 0.000 2.488 776 G HA2 0.520 4.480 3.960 -0.001 0.000 0.301 776 G HA3 0.520 4.480 3.960 -0.001 0.000 0.301 776 G C -2.730 171.425 174.900 -1.242 0.000 1.339 776 G CA -0.641 43.610 45.100 -1.416 0.000 0.803 776 G HN 1.038 nan 8.290 nan 0.000 0.482 777 L N -0.307 120.512 121.223 -0.673 0.000 2.409 777 L HA 0.889 5.229 4.340 -0.001 0.000 0.262 777 L C -0.863 176.025 176.870 0.031 0.000 0.992 777 L CA -0.657 54.035 54.840 -0.248 0.000 0.817 777 L CB 2.281 44.314 42.059 -0.043 0.000 1.350 777 L HN 0.727 nan 8.230 nan 0.000 0.411 778 S N 3.447 119.157 115.700 0.016 0.000 2.572 778 S HA 0.673 5.143 4.470 -0.001 0.000 0.274 778 S C -1.169 173.384 174.600 -0.079 0.000 1.150 778 S CA -0.567 57.639 58.200 0.010 0.000 0.944 778 S CB 1.268 64.491 63.200 0.038 0.000 1.071 778 S HN 0.539 nan 8.310 nan 0.000 0.479 779 L N 6.040 127.216 121.223 -0.079 0.000 2.334 779 L HA 0.687 5.026 4.340 -0.001 0.000 0.275 779 L C 0.330 177.179 176.870 -0.035 0.000 1.036 779 L CA -0.880 53.889 54.840 -0.119 0.000 0.807 779 L CB 1.293 43.326 42.059 -0.043 0.000 1.231 779 L HN 0.761 nan 8.230 nan 0.000 0.438 780 H N 0.183 119.222 119.070 -0.052 0.000 2.941 780 H HA 0.610 5.165 4.556 -0.001 0.000 0.344 780 H C -0.435 174.892 175.328 -0.000 0.000 1.235 780 H CA -0.626 55.385 56.048 -0.062 0.000 1.149 780 H CB 1.834 31.495 29.762 -0.168 0.000 1.885 780 H HN 0.587 nan 8.280 nan 0.000 0.558 781 G N -0.084 108.834 108.800 0.197 0.000 3.380 781 G HA2 0.384 4.343 3.960 -0.001 0.000 0.188 781 G HA3 0.384 4.343 3.960 -0.001 0.000 0.188 781 G C 0.072 175.087 174.900 0.193 0.000 1.892 781 G CA 0.092 45.278 45.100 0.143 0.000 0.912 781 G HN 0.902 nan 8.290 nan 0.000 0.609 782 K N 0.839 121.302 120.400 0.104 0.000 2.469 782 K HA 0.312 4.631 4.320 -0.001 0.000 0.274 782 K C -1.039 175.571 176.600 0.017 0.000 0.983 782 K CA -0.054 56.277 56.287 0.073 0.000 0.974 782 K CB -0.728 31.797 32.500 0.042 0.000 0.913 782 K HN 0.208 nan 8.250 nan 0.000 0.493 783 P HA -0.264 nan 4.420 nan 0.000 0.217 783 P C 1.760 178.842 177.300 -0.363 0.000 1.158 783 P CA 2.382 65.361 63.100 -0.200 0.000 0.887 783 P CB 0.090 31.777 31.700 -0.022 0.000 0.792 784 E N 0.406 120.520 120.200 -0.143 0.000 2.187 784 E HA -0.309 4.040 4.350 -0.001 0.000 0.199 784 E C 1.772 178.264 176.600 -0.180 0.000 1.004 784 E CA 1.872 58.240 56.400 -0.053 0.000 0.813 784 E CB -1.713 28.004 29.700 0.028 0.000 0.736 784 E HN 0.525 nan 8.360 nan 0.000 0.468 785 E N -0.793 119.232 120.200 -0.292 0.000 2.409 785 E HA -0.086 4.264 4.350 -0.001 0.000 0.198 785 E C 2.244 178.422 176.600 -0.703 0.000 1.024 785 E CA 0.337 56.531 56.400 -0.343 0.000 0.861 785 E CB -0.105 29.480 29.700 -0.191 0.000 0.788 785 E HN 0.428 nan 8.360 nan 0.000 0.521 786 R N -0.011 119.772 120.500 -1.196 0.000 2.113 786 R HA -0.207 4.132 4.340 -0.001 0.000 0.244 786 R C 1.762 177.088 176.300 -1.623 0.000 1.142 786 R CA 1.678 56.766 56.100 -1.687 0.000 0.953 786 R CB -0.204 28.995 30.300 -1.835 0.000 0.860 786 R HN 0.189 nan 8.270 nan 0.000 0.438 787 F N -0.285 119.167 119.950 -0.831 0.000 2.206 787 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 787 F C 2.511 178.048 175.800 -0.438 0.000 1.090 787 F CA 0.937 58.585 58.000 -0.585 0.000 1.323 787 F CB -0.735 38.115 39.000 -0.250 0.000 1.028 787 F HN 0.088 nan 8.300 nan 0.000 0.492 788 A N 0.193 122.882 122.820 -0.218 0.000 1.908 788 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 788 A C 2.340 179.740 177.584 -0.307 0.000 1.181 788 A CA 2.462 54.383 52.037 -0.192 0.000 0.627 788 A CB -1.516 17.395 19.000 -0.149 0.000 0.818 788 A HN 0.438 nan 8.150 nan 0.000 0.445 789 T N -3.258 111.032 114.554 -0.440 0.000 2.833 789 T HA -0.194 4.155 4.350 -0.001 0.000 0.269 789 T C 1.747 176.155 174.700 -0.486 0.000 1.054 789 T CA 1.621 63.462 62.100 -0.431 0.000 1.135 789 T CB -0.577 68.063 68.868 -0.380 0.000 0.869 789 T HN 0.425 nan 8.240 nan 0.000 0.466 790 Y N 1.883 121.776 120.300 -0.678 0.000 2.242 790 Y HA 0.121 4.670 4.550 -0.001 0.000 0.291 790 Y C 2.867 178.230 175.900 -0.896 0.000 1.137 790 Y CA 0.223 57.714 58.100 -1.015 0.000 1.181 790 Y CB -1.050 36.947 38.460 -0.772 0.000 0.989 790 Y HN 0.396 nan 8.280 nan 0.000 0.527 791 Q N -0.230 119.350 119.800 -0.367 0.000 2.079 791 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 791 Q C 2.130 177.756 176.000 -0.623 0.000 0.974 791 Q CA 1.203 56.770 55.803 -0.392 0.000 0.840 791 Q CB -0.113 28.551 28.738 -0.122 0.000 0.898 791 Q HN 0.542 nan 8.270 nan 0.000 0.430 792 Q N 0.063 119.577 119.800 -0.476 0.000 2.124 792 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 792 Q C 2.097 177.758 176.000 -0.565 0.000 0.977 792 Q CA 1.298 56.834 55.803 -0.445 0.000 0.850 792 Q CB -0.293 28.219 28.738 -0.377 0.000 0.901 792 Q HN 0.337 nan 8.270 nan 0.000 0.429 793 A N 0.746 123.149 122.820 -0.695 0.000 1.908 793 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 793 A C 1.857 179.191 177.584 -0.417 0.000 1.181 793 A CA 1.397 52.970 52.037 -0.773 0.000 0.627 793 A CB -0.825 17.824 19.000 -0.586 0.000 0.818 793 A HN 0.301 nan 8.150 nan 0.000 0.445 794 Y N 1.103 121.247 120.300 -0.260 0.000 2.145 794 Y HA -0.199 4.350 4.550 -0.001 0.000 0.286 794 Y C 3.201 178.987 175.900 -0.191 0.000 1.145 794 Y CA 1.147 59.147 58.100 -0.167 0.000 1.148 794 Y CB -1.178 37.177 38.460 -0.176 0.000 0.981 794 Y HN 0.480 nan 8.280 nan 0.000 0.507 795 S N 0.065 115.624 115.700 -0.234 0.000 2.399 795 S HA -0.178 4.291 4.470 -0.001 0.000 0.231 795 S C 2.201 176.754 174.600 -0.078 0.000 1.022 795 S CA 0.879 59.024 58.200 -0.093 0.000 0.983 795 S CB -0.803 62.307 63.200 -0.149 0.000 0.803 795 S HN 0.357 nan 8.310 nan 0.000 0.480 796 A N 1.716 124.448 122.820 -0.148 0.000 2.015 796 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 796 A C 2.287 179.858 177.584 -0.021 0.000 1.163 796 A CA 1.226 53.217 52.037 -0.077 0.000 0.646 796 A CB -0.553 18.262 19.000 -0.308 0.000 0.806 796 A HN 0.741 nan 8.150 nan 0.000 0.448 797 Q N -0.854 118.943 119.800 -0.005 0.000 2.444 797 Q HA 0.201 4.540 4.340 -0.001 0.000 0.206 797 Q C -0.432 175.601 176.000 0.055 0.000 0.948 797 Q CA 0.407 56.237 55.803 0.046 0.000 0.946 797 Q CB 0.146 28.941 28.738 0.095 0.000 1.027 797 Q HN 0.660 nan 8.270 nan 0.000 0.513 798 I N 3.360 123.953 120.570 0.039 0.000 2.420 798 I HA 0.259 4.429 4.170 -0.001 0.000 0.282 798 I C -2.299 173.789 176.117 -0.048 0.000 1.019 798 I CA -2.319 59.001 61.300 0.033 0.000 1.130 798 I CB 1.728 39.778 38.000 0.082 0.000 1.262 798 I HN -0.155 nan 8.210 nan 0.000 0.454 799 P HA 0.200 nan 4.420 nan 0.000 0.276 799 P C -0.496 176.774 177.300 -0.049 0.000 1.244 799 P CA -0.280 62.791 63.100 -0.048 0.000 0.801 799 P CB 0.636 32.363 31.700 0.045 0.000 1.006 800 F N -0.153 119.866 119.950 0.114 0.000 2.539 800 F HA 0.118 4.644 4.527 -0.001 0.000 0.340 800 F C 1.452 177.346 175.800 0.158 0.000 1.185 800 F CA 0.821 58.911 58.000 0.150 0.000 1.333 800 F CB -0.399 38.688 39.000 0.146 0.000 1.152 800 F HN 0.132 nan 8.300 nan 0.000 0.602 801 T N 1.188 116.008 114.554 0.444 0.000 2.824 801 T HA 0.726 5.075 4.350 -0.001 0.000 0.280 801 T C -0.488 174.459 174.700 0.412 0.000 0.995 801 T CA -0.729 61.571 62.100 0.332 0.000 1.009 801 T CB 1.404 70.414 68.868 0.236 0.000 0.955 801 T HN 0.739 nan 8.240 nan 0.000 0.452 802 A N 1.995 124.984 122.820 0.281 0.000 2.335 802 A HA 0.860 5.179 4.320 -0.001 0.000 0.304 802 A C -0.381 177.329 177.584 0.210 0.000 1.118 802 A CA -0.887 51.300 52.037 0.251 0.000 0.757 802 A CB 0.897 19.983 19.000 0.143 0.000 1.188 802 A HN 1.155 nan 8.150 nan 0.000 0.460 803 A N 1.898 124.875 122.820 0.261 0.000 2.414 803 A HA 0.859 5.178 4.320 -0.001 0.000 0.306 803 A C 0.224 177.930 177.584 0.203 0.000 1.054 803 A CA -0.015 52.138 52.037 0.193 0.000 0.724 803 A CB 0.934 20.051 19.000 0.195 0.000 1.267 803 A HN 1.539 nan 8.150 nan 0.000 0.418 804 T N -0.201 114.440 114.554 0.146 0.000 2.874 804 T HA 0.778 5.127 4.350 -0.001 0.000 0.281 804 T C 0.186 174.959 174.700 0.123 0.000 0.994 804 T CA 0.092 62.283 62.100 0.152 0.000 1.015 804 T CB 1.121 70.044 68.868 0.091 0.000 1.028 804 T HN 0.991 nan 8.240 nan 0.000 0.523 805 T N -0.616 114.010 114.554 0.122 0.000 2.792 805 T HA 0.721 5.070 4.350 -0.001 0.000 0.303 805 T C -0.161 174.614 174.700 0.125 0.000 1.310 805 T CA -0.820 61.363 62.100 0.138 0.000 1.007 805 T CB 1.049 70.057 68.868 0.233 0.000 1.335 805 T HN 1.036 nan 8.240 nan 0.000 0.504 806 A N 0.805 123.730 122.820 0.175 0.000 2.296 806 A HA 0.626 4.946 4.320 -0.001 0.000 0.264 806 A C 0.257 177.896 177.584 0.092 0.000 1.097 806 A CA -0.635 51.492 52.037 0.149 0.000 0.811 806 A CB 0.116 19.213 19.000 0.163 0.000 1.072 806 A HN 0.740 nan 8.150 nan 0.000 0.495 807 R N 1.448 121.968 120.500 0.033 0.000 2.370 807 R HA 0.335 4.675 4.340 -0.001 0.000 0.309 807 R C -0.424 175.878 176.300 0.003 0.000 1.059 807 R CA 0.282 56.358 56.100 -0.040 0.000 0.981 807 R CB 0.044 30.347 30.300 0.005 0.000 0.972 807 R HN 0.958 nan 8.270 nan 0.000 0.437 808 H N -0.935 118.159 119.070 0.040 0.000 3.037 808 H HA 0.337 4.892 4.556 -0.001 0.000 0.336 808 H C -1.020 174.316 175.328 0.013 0.000 1.323 808 H CA -0.838 55.221 56.048 0.019 0.000 1.159 808 H CB 0.788 30.557 29.762 0.012 0.000 1.882 808 H HN 0.579 nan 8.280 nan 0.000 0.535 809 E N 0.474 120.766 120.200 0.153 0.000 2.349 809 E HA 0.639 4.988 4.350 -0.001 0.000 0.262 809 E C 0.192 176.901 176.600 0.181 0.000 1.088 809 E CA -0.312 56.145 56.400 0.096 0.000 0.899 809 E CB 1.347 31.076 29.700 0.047 0.000 1.044 809 E HN 0.972 nan 8.360 nan 0.000 0.420 810 G N -0.538 108.331 108.800 0.115 0.000 2.649 810 G HA2 0.424 4.383 3.960 -0.001 0.000 0.290 810 G HA3 0.424 4.383 3.960 -0.001 0.000 0.290 810 G C 0.078 175.011 174.900 0.055 0.000 1.426 810 G CA -0.281 44.883 45.100 0.105 0.000 0.794 810 G HN 0.401 nan 8.290 nan 0.000 0.483 811 K N -1.067 119.360 120.400 0.044 0.000 2.366 811 K HA 0.285 4.604 4.320 -0.001 0.000 0.198 811 K C 0.862 177.486 176.600 0.041 0.000 1.044 811 K CA 0.500 56.806 56.287 0.032 0.000 0.973 811 K CB -0.156 32.359 32.500 0.024 0.000 0.767 811 K HN 0.309 nan 8.250 nan 0.000 0.475 812 L N 0.308 121.570 121.223 0.065 0.000 2.331 812 L HA 0.430 4.769 4.340 -0.001 0.000 0.275 812 L C -0.306 176.642 176.870 0.131 0.000 1.022 812 L CA -1.247 53.655 54.840 0.103 0.000 0.812 812 L CB 1.600 43.761 42.059 0.171 0.000 1.257 812 L HN -0.020 nan 8.230 nan 0.000 0.435 813 A N 4.111 127.008 122.820 0.129 0.000 2.498 813 A HA 0.279 4.598 4.320 -0.001 0.000 0.239 813 A C -1.649 176.085 177.584 0.249 0.000 1.068 813 A CA -0.853 51.256 52.037 0.119 0.000 0.766 813 A CB -0.156 18.892 19.000 0.081 0.000 1.003 813 A HN 0.625 nan 8.150 nan 0.000 0.497 814 P HA -0.020 nan 4.420 nan 0.000 0.229 814 P C -0.299 177.084 177.300 0.137 0.000 1.160 814 P CA 0.819 63.993 63.100 0.124 0.000 0.777 814 P CB 0.130 31.770 31.700 -0.099 0.000 0.814 815 N N -0.106 118.599 118.700 0.009 0.000 2.296 815 N HA 0.335 5.075 4.740 -0.001 0.000 0.294 815 N C -1.256 174.115 175.510 -0.233 0.000 1.033 815 N CA -0.278 52.688 53.050 -0.141 0.000 0.839 815 N CB 1.813 40.209 38.487 -0.152 0.000 1.395 815 N HN 0.042 nan 8.380 nan 0.000 0.479 816 H N -0.260 118.383 119.070 -0.711 0.000 3.123 816 H HA 0.287 4.843 4.556 -0.001 0.000 0.346 816 H C -1.524 173.406 175.328 -0.663 0.000 1.138 816 H CA -0.679 54.909 56.048 -0.767 0.000 1.273 816 H CB 1.275 30.351 29.762 -1.144 0.000 1.926 816 H HN 0.262 nan 8.280 nan 0.000 0.524 817 V N 3.853 123.283 119.914 -0.808 0.000 2.328 817 V HA 0.238 4.357 4.120 -0.001 0.000 0.278 817 V C 0.412 176.228 176.094 -0.462 0.000 1.021 817 V CA -0.572 61.446 62.300 -0.469 0.000 0.838 817 V CB 0.628 32.257 31.823 -0.324 0.000 0.999 817 V HN 0.891 nan 8.190 nan 0.000 0.447 818 Y N 5.539 125.691 120.300 -0.247 0.000 2.286 818 Y HA 0.398 4.948 4.550 -0.001 0.000 0.293 818 Y C 0.535 176.341 175.900 -0.157 0.000 1.124 818 Y CA 1.068 59.116 58.100 -0.085 0.000 1.178 818 Y CB 0.415 38.929 38.460 0.091 0.000 1.010 818 Y HN 0.563 nan 8.280 nan 0.000 0.536 819 L N 0.013 121.193 121.223 -0.071 0.000 2.431 819 L HA 0.371 4.710 4.340 -0.001 0.000 0.266 819 L C -0.680 176.108 176.870 -0.137 0.000 0.978 819 L CA -0.687 54.027 54.840 -0.210 0.000 0.822 819 L CB 2.329 44.256 42.059 -0.221 0.000 1.310 819 L HN -0.141 nan 8.230 nan 0.000 0.409 820 T N 0.684 115.130 114.554 -0.180 0.000 2.812 820 T HA 0.649 4.999 4.350 -0.001 0.000 0.282 820 T C -0.543 174.056 174.700 -0.167 0.000 0.990 820 T CA -0.182 61.833 62.100 -0.143 0.000 0.960 820 T CB 1.240 70.042 68.868 -0.110 0.000 0.948 820 T HN 0.541 nan 8.240 nan 0.000 0.438 821 T N 3.339 117.765 114.554 -0.212 0.000 2.932 821 T HA 0.753 5.102 4.350 -0.001 0.000 0.289 821 T C -0.182 174.444 174.700 -0.124 0.000 1.039 821 T CA -0.536 61.353 62.100 -0.352 0.000 1.024 821 T CB 1.425 69.876 68.868 -0.695 0.000 1.090 821 T HN 0.961 nan 8.240 nan 0.000 0.496 822 A N 2.193 125.028 122.820 0.024 0.000 2.363 822 A HA 0.574 4.894 4.320 -0.001 0.000 0.270 822 A C 0.043 177.748 177.584 0.202 0.000 1.121 822 A CA -0.590 51.532 52.037 0.142 0.000 0.800 822 A CB 0.012 19.133 19.000 0.201 0.000 1.052 822 A HN 0.779 nan 8.150 nan 0.000 0.493 823 E N 0.948 121.224 120.200 0.126 0.000 2.392 823 E HA 0.598 4.947 4.350 -0.001 0.000 0.256 823 E C 0.688 177.361 176.600 0.122 0.000 1.145 823 E CA 0.522 56.998 56.400 0.128 0.000 0.929 823 E CB 0.283 30.027 29.700 0.074 0.000 0.998 823 E HN 1.602 nan 8.360 nan 0.000 0.442 824 G N 0.206 109.067 108.800 0.102 0.000 2.384 824 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.668 824 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.668 824 G C -2.733 172.183 174.900 0.025 0.000 1.280 824 G CA -0.824 44.299 45.100 0.039 0.000 0.992 824 G HN 0.502 nan 8.290 nan 0.000 0.512 825 P HA 0.455 nan 4.420 nan 0.000 0.230 825 P C -0.309 176.887 177.300 -0.173 0.000 1.791 825 P CA 0.081 63.095 63.100 -0.143 0.000 1.020 825 P CB -0.485 30.922 31.700 -0.488 0.000 1.977 826 I N 0.328 120.818 120.570 -0.133 0.000 2.509 826 I HA 0.488 4.658 4.170 -0.001 0.000 0.293 826 I C 0.861 176.671 176.117 -0.511 0.000 1.020 826 I CA -0.899 60.141 61.300 -0.434 0.000 1.088 826 I CB 2.302 39.936 38.000 -0.610 0.000 1.267 826 I HN 0.058 nan 8.210 nan 0.000 0.430 827 G N 4.815 113.078 108.800 -0.895 0.000 2.327 827 G HA2 0.390 4.349 3.960 -0.001 0.000 0.302 827 G HA3 0.390 4.349 3.960 -0.001 0.000 0.302 827 G C -1.471 173.114 174.900 -0.525 0.000 1.113 827 G CA -0.262 44.416 45.100 -0.703 0.000 0.921 827 G HN 0.520 nan 8.290 nan 0.000 0.425 828 W N 2.015 123.353 121.300 0.063 0.000 2.361 828 W HA 0.533 5.192 4.660 -0.001 0.000 0.309 828 W C 0.926 177.537 176.519 0.152 0.000 1.122 828 W CA -0.671 56.699 57.345 0.042 0.000 1.208 828 W CB 2.222 31.550 29.460 -0.220 0.000 1.246 828 W HN 0.475 nan 8.180 nan 0.000 0.490 829 T N 1.414 116.249 114.554 0.468 0.000 3.250 829 T HA 0.380 4.730 4.350 -0.001 0.000 0.265 829 T C -0.101 174.805 174.700 0.343 0.000 0.973 829 T CA 0.286 62.613 62.100 0.378 0.000 1.040 829 T CB 0.195 69.335 68.868 0.453 0.000 1.167 829 T HN 0.343 nan 8.240 nan 0.000 0.471 830 A N 1.273 124.303 122.820 0.351 0.000 2.393 830 A HA 0.784 5.103 4.320 -0.001 0.000 0.306 830 A C -1.294 176.425 177.584 0.225 0.000 1.050 830 A CA -0.617 51.580 52.037 0.265 0.000 0.724 830 A CB 1.726 20.852 19.000 0.209 0.000 1.248 830 A HN 0.478 nan 8.150 nan 0.000 0.424 831 V N 2.775 122.777 119.914 0.146 0.000 2.524 831 V HA 0.857 4.976 4.120 -0.001 0.000 0.297 831 V C -0.690 175.431 176.094 0.045 0.000 1.035 831 V CA -0.262 62.059 62.300 0.036 0.000 0.867 831 V CB 1.139 32.835 31.823 -0.212 0.000 1.004 831 V HN 1.253 nan 8.190 nan 0.000 0.426 832 K N 5.297 125.719 120.400 0.036 0.000 2.308 832 K HA 0.732 5.052 4.320 -0.001 0.000 0.268 832 K C -1.097 175.434 176.600 -0.114 0.000 0.992 832 K CA -1.374 54.924 56.287 0.019 0.000 0.836 832 K CB 1.833 34.328 32.500 -0.007 0.000 1.507 832 K HN 0.583 nan 8.250 nan 0.000 0.394 833 R N 0.199 120.437 120.500 -0.436 0.000 2.888 833 R HA 0.264 4.604 4.340 -0.001 0.000 0.266 833 R C -1.048 175.084 176.300 -0.279 0.000 1.020 833 R CA -1.016 54.758 56.100 -0.543 0.000 0.963 833 R CB 2.242 31.912 30.300 -1.051 0.000 1.197 833 R HN 0.621 nan 8.270 nan 0.000 0.481 834 Q N 0.870 120.583 119.800 -0.145 0.000 2.260 834 Q HA 0.031 4.370 4.340 -0.001 0.000 0.242 834 Q C 0.536 176.400 176.000 -0.226 0.000 0.932 834 Q CA -0.022 55.721 55.803 -0.100 0.000 0.891 834 Q CB 1.521 30.196 28.738 -0.105 0.000 1.222 834 Q HN 0.676 nan 8.270 nan 0.000 0.453 835 E N 0.807 120.823 120.200 -0.307 0.000 2.106 835 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 835 E C 0.859 177.072 176.600 -0.645 0.000 0.984 835 E CA 1.463 57.498 56.400 -0.607 0.000 0.806 835 E CB 0.436 30.002 29.700 -0.224 0.000 0.750 835 E HN 0.582 nan 8.360 nan 0.000 0.458 836 Q N -1.493 118.087 119.800 -0.366 0.000 2.245 836 Q HA 0.097 4.437 4.340 -0.001 0.000 0.250 836 Q C 1.718 177.577 176.000 -0.234 0.000 0.830 836 Q CA 0.360 56.011 55.803 -0.253 0.000 0.950 836 Q CB 0.836 29.486 28.738 -0.146 0.000 1.124 836 Q HN 0.133 nan 8.270 nan 0.000 0.502 837 T N 1.329 115.693 114.554 -0.318 0.000 2.809 837 T HA -0.039 4.311 4.350 -0.001 0.000 0.260 837 T C 0.574 175.018 174.700 -0.427 0.000 1.039 837 T CA 1.266 63.084 62.100 -0.469 0.000 1.141 837 T CB -0.055 68.382 68.868 -0.717 0.000 0.869 837 T HN 0.509 nan 8.240 nan 0.000 0.437 838 N N -0.843 117.655 118.700 -0.336 0.000 2.948 838 N HA -0.142 4.597 4.740 -0.001 0.000 0.239 838 N C -0.956 174.388 175.510 -0.276 0.000 0.954 838 N CA 0.052 52.915 53.050 -0.311 0.000 0.941 838 N CB -1.030 37.280 38.487 -0.295 0.000 1.101 838 N HN 0.440 nan 8.380 nan 0.000 0.579 839 H N 1.027 120.019 119.070 -0.130 0.000 2.972 839 H HA 0.108 4.663 4.556 -0.001 0.000 0.343 839 H C 0.451 175.736 175.328 -0.072 0.000 1.054 839 H CA 0.059 56.071 56.048 -0.060 0.000 1.412 839 H CB 0.376 30.132 29.762 -0.010 0.000 1.385 839 H HN 0.178 nan 8.280 nan 0.000 0.600 840 L N 3.950 125.258 121.223 0.142 0.000 2.462 840 L HA 0.097 4.436 4.340 -0.001 0.000 0.272 840 L C -0.520 176.472 176.870 0.203 0.000 1.166 840 L CA 0.119 55.032 54.840 0.122 0.000 0.880 840 L CB 0.325 42.474 42.059 0.149 0.000 1.142 840 L HN 0.321 nan 8.230 nan 0.000 0.473 841 V N 6.196 126.187 119.914 0.128 0.000 2.417 841 V HA 0.570 4.689 4.120 -0.001 0.000 0.291 841 V C -0.365 175.847 176.094 0.197 0.000 1.024 841 V CA -0.577 61.821 62.300 0.164 0.000 0.861 841 V CB 1.803 33.673 31.823 0.079 0.000 0.985 841 V HN 0.567 nan 8.190 nan 0.000 0.436 842 V N 5.620 125.729 119.914 0.325 0.000 2.709 842 V HA 0.673 4.792 4.120 -0.001 0.000 0.308 842 V C -0.285 176.147 176.094 0.563 0.000 1.062 842 V CA -0.775 61.742 62.300 0.362 0.000 0.901 842 V CB 2.199 34.212 31.823 0.317 0.000 1.003 842 V HN 0.925 nan 8.190 nan 0.000 0.425 843 R N 2.221 123.030 120.500 0.514 0.000 2.673 843 R HA 0.821 5.161 4.340 -0.001 0.000 0.281 843 R C -0.529 176.107 176.300 0.560 0.000 0.991 843 R CA -0.172 56.230 56.100 0.504 0.000 0.896 843 R CB 2.372 32.835 30.300 0.273 0.000 1.201 843 R HN 0.946 nan 8.270 nan 0.000 0.457 844 G N 1.983 111.067 108.800 0.474 0.000 2.687 844 G HA2 0.657 4.617 3.960 -0.001 0.000 0.291 844 G HA3 0.657 4.617 3.960 -0.001 0.000 0.291 844 G C -1.734 173.270 174.900 0.172 0.000 1.420 844 G CA -0.762 44.460 45.100 0.203 0.000 0.796 844 G HN 0.539 nan 8.290 nan 0.000 0.485 845 F N -1.202 118.682 119.950 -0.110 0.000 2.631 845 F HA 0.706 5.232 4.527 -0.001 0.000 0.308 845 F C -1.077 174.688 175.800 -0.059 0.000 1.097 845 F CA -1.625 56.356 58.000 -0.032 0.000 0.952 845 F CB 1.797 40.885 39.000 0.147 0.000 1.307 845 F HN 0.392 nan 8.300 nan 0.000 0.450 846 N N 2.435 121.167 118.700 0.053 0.000 2.411 846 N HA 0.190 4.930 4.740 -0.001 0.000 0.259 846 N C 0.372 175.927 175.510 0.074 0.000 1.103 846 N CA -0.273 52.734 53.050 -0.071 0.000 0.954 846 N CB 1.111 39.539 38.487 -0.099 0.000 1.085 846 N HN 0.805 nan 8.380 nan 0.000 0.485 847 L N 2.099 123.272 121.223 -0.084 0.000 2.362 847 L HA -0.016 4.324 4.340 -0.001 0.000 0.219 847 L C 1.209 178.124 176.870 0.076 0.000 1.134 847 L CA 0.946 55.876 54.840 0.150 0.000 0.807 847 L CB -0.958 41.187 42.059 0.144 0.000 0.927 847 L HN 0.689 nan 8.230 nan 0.000 0.447 848 T N -5.705 108.675 114.554 -0.290 0.000 2.940 848 T HA 0.627 4.976 4.350 -0.001 0.000 0.288 848 T C 0.803 174.945 174.700 -0.929 0.000 1.045 848 T CA -0.290 61.532 62.100 -0.463 0.000 1.018 848 T CB 1.773 70.302 68.868 -0.565 0.000 1.151 848 T HN -0.054 nan 8.240 nan 0.000 0.529 849 A N 0.111 122.505 122.820 -0.710 0.000 2.259 849 A HA 0.260 4.579 4.320 -0.001 0.000 0.208 849 A C 0.824 178.181 177.584 -0.377 0.000 1.201 849 A CA 0.064 51.674 52.037 -0.711 0.000 0.824 849 A CB -0.609 18.338 19.000 -0.087 0.000 0.838 849 A HN 0.787 nan 8.150 nan 0.000 0.485 850 Q N -0.312 119.285 119.800 -0.339 0.000 2.257 850 Q HA 0.343 4.683 4.340 -0.001 0.000 0.262 850 Q C -0.990 174.899 176.000 -0.186 0.000 0.997 850 Q CA -0.801 54.880 55.803 -0.203 0.000 0.873 850 Q CB 1.016 29.654 28.738 -0.167 0.000 1.312 850 Q HN 0.428 nan 8.270 nan 0.000 0.450 851 N N 0.920 119.548 118.700 -0.119 0.000 2.475 851 N HA 0.244 4.983 4.740 -0.001 0.000 0.267 851 N C -1.325 174.136 175.510 -0.082 0.000 1.169 851 N CA 0.195 53.190 53.050 -0.092 0.000 0.947 851 N CB 0.412 38.863 38.487 -0.060 0.000 1.061 851 N HN 0.289 nan 8.380 nan 0.000 0.466 852 I N 4.579 125.104 120.570 -0.075 0.000 2.447 852 I HA 0.315 4.485 4.170 -0.001 0.000 0.287 852 I C -2.210 173.899 176.117 -0.014 0.000 1.023 852 I CA -2.931 58.333 61.300 -0.060 0.000 1.083 852 I CB 1.836 39.781 38.000 -0.092 0.000 1.245 852 I HN 0.431 nan 8.210 nan 0.000 0.434 853 P HA 0.061 nan 4.420 nan 0.000 0.267 853 P C -0.708 176.632 177.300 0.067 0.000 1.209 853 P CA -0.020 63.099 63.100 0.032 0.000 0.763 853 P CB 0.582 32.299 31.700 0.028 0.000 0.816 854 C N 2.865 122.228 119.300 0.105 0.000 2.607 854 C HA 0.644 5.104 4.460 -0.001 0.000 0.350 854 C C -0.434 174.673 174.990 0.195 0.000 1.101 854 C CA 0.194 59.320 59.018 0.179 0.000 1.282 854 C CB 0.617 28.503 27.740 0.243 0.000 1.825 854 C HN 0.735 nan 8.230 nan 0.000 0.460 855 E N 4.947 125.238 120.200 0.152 0.000 2.263 855 E HA 0.701 5.050 4.350 -0.001 0.000 0.268 855 E C -1.819 174.748 176.600 -0.055 0.000 0.884 855 E CA -0.355 56.091 56.400 0.076 0.000 0.766 855 E CB 1.762 31.512 29.700 0.084 0.000 1.196 855 E HN 0.844 nan 8.360 nan 0.000 0.416 856 L N 2.439 123.521 121.223 -0.236 0.000 2.325 856 L HA 0.737 5.076 4.340 -0.001 0.000 0.278 856 L C -0.998 175.593 176.870 -0.465 0.000 1.023 856 L CA -0.777 53.840 54.840 -0.373 0.000 0.811 856 L CB 1.525 43.154 42.059 -0.717 0.000 1.249 856 L HN 0.891 nan 8.230 nan 0.000 0.431 857 H N 2.218 121.250 119.070 -0.062 0.000 2.806 857 H HA 0.352 4.907 4.556 -0.001 0.000 0.367 857 H C -1.052 174.101 175.328 -0.291 0.000 1.136 857 H CA -0.765 55.257 56.048 -0.043 0.000 1.178 857 H CB 2.095 31.819 29.762 -0.062 0.000 1.718 857 H HN 0.289 nan 8.280 nan 0.000 0.540 858 K N 2.799 123.019 120.400 -0.300 0.000 2.293 858 K HA 0.251 4.570 4.320 -0.001 0.000 0.267 858 K C -0.374 176.018 176.600 -0.346 0.000 1.010 858 K CA -0.198 55.726 56.287 -0.605 0.000 0.875 858 K CB 0.654 32.526 32.500 -1.046 0.000 1.106 858 K HN 0.778 nan 8.250 nan 0.000 0.450 859 E N 0.252 120.250 120.200 -0.337 0.000 3.304 859 E HA -0.368 3.981 4.350 -0.001 0.000 0.365 859 E C 0.953 177.469 176.600 -0.139 0.000 1.512 859 E CA 2.371 58.650 56.400 -0.202 0.000 1.642 859 E CB -1.040 28.595 29.700 -0.108 0.000 1.738 859 E HN 0.783 nan 8.360 nan 0.000 0.483 860 T N -0.512 113.986 114.554 -0.094 0.000 2.821 860 T HA -0.024 4.326 4.350 -0.001 0.000 0.267 860 T C 0.983 175.681 174.700 -0.004 0.000 1.046 860 T CA 2.162 64.211 62.100 -0.085 0.000 1.139 860 T CB -0.477 68.355 68.868 -0.060 0.000 0.871 860 T HN 0.612 nan 8.240 nan 0.000 0.454 861 Q N 2.865 122.692 119.800 0.046 0.000 2.330 861 Q HA 0.423 4.763 4.340 -0.001 0.000 0.279 861 Q C -2.427 173.772 176.000 0.332 0.000 1.024 861 Q CA -1.296 54.593 55.803 0.144 0.000 0.900 861 Q CB -0.618 28.185 28.738 0.107 0.000 1.221 861 Q HN 0.568 nan 8.270 nan 0.000 0.396 862 P HA 0.601 nan 4.420 nan 0.000 0.281 862 P C -0.884 176.475 177.300 0.098 0.000 1.281 862 P CA -0.174 63.068 63.100 0.238 0.000 0.811 862 P CB 1.018 32.824 31.700 0.177 0.000 1.154 863 A N 0.364 123.061 122.820 -0.204 0.000 2.340 863 A HA 0.406 4.726 4.320 -0.001 0.000 0.268 863 A C 1.374 178.770 177.584 -0.314 0.000 1.100 863 A CA 0.012 51.645 52.037 -0.674 0.000 0.803 863 A CB -0.660 17.867 19.000 -0.788 0.000 1.043 863 A HN 0.537 nan 8.150 nan 0.000 0.488 864 T N 0.493 114.854 114.554 -0.323 0.000 2.668 864 T HA -0.001 4.348 4.350 -0.001 0.000 0.258 864 T C 0.884 175.490 174.700 -0.157 0.000 1.051 864 T CA 1.650 63.640 62.100 -0.184 0.000 1.155 864 T CB -0.684 68.074 68.868 -0.184 0.000 0.864 864 T HN 1.116 nan 8.240 nan 0.000 0.413 865 C N -0.049 119.145 119.300 -0.177 0.000 3.285 865 C HA 0.804 5.263 4.460 -0.001 0.000 0.320 865 C C -0.966 173.915 174.990 -0.180 0.000 1.411 865 C CA -1.863 57.066 59.018 -0.148 0.000 1.429 865 C CB 0.440 28.108 27.740 -0.119 0.000 1.812 865 C HN 0.398 nan 8.230 nan 0.000 0.454 866 L N 2.379 123.484 121.223 -0.196 0.000 2.295 866 L HA 0.662 5.001 4.340 -0.001 0.000 0.285 866 L C 0.798 177.547 176.870 -0.201 0.000 1.035 866 L CA 0.174 54.850 54.840 -0.274 0.000 0.806 866 L CB 1.782 43.642 42.059 -0.331 0.000 1.214 866 L HN 1.066 nan 8.230 nan 0.000 0.426 867 T N -1.346 113.092 114.554 -0.193 0.000 2.919 867 T HA 0.472 4.822 4.350 -0.001 0.000 0.282 867 T C -0.101 174.509 174.700 -0.150 0.000 1.020 867 T CA -0.933 61.086 62.100 -0.135 0.000 0.994 867 T CB 1.817 70.635 68.868 -0.083 0.000 1.180 867 T HN 0.596 nan 8.240 nan 0.000 0.566 868 N N -0.566 118.061 118.700 -0.122 0.000 2.514 868 N HA 0.228 4.967 4.740 -0.001 0.000 0.299 868 N C 1.034 176.475 175.510 -0.114 0.000 1.292 868 N CA -0.935 52.038 53.050 -0.127 0.000 0.963 868 N CB -0.407 38.010 38.487 -0.117 0.000 1.124 868 N HN 0.292 nan 8.380 nan 0.000 0.580 869 V N -0.568 119.277 119.914 -0.116 0.000 2.809 869 V HA -0.008 4.111 4.120 -0.001 0.000 0.256 869 V C 1.664 177.704 176.094 -0.091 0.000 1.080 869 V CA 1.046 63.288 62.300 -0.097 0.000 1.102 869 V CB -0.847 30.917 31.823 -0.099 0.000 0.705 869 V HN 0.475 nan 8.190 nan 0.000 0.475 870 L N -0.555 120.591 121.223 -0.128 0.000 2.612 870 L HA 0.173 4.512 4.340 -0.001 0.000 0.230 870 L C 1.017 177.822 176.870 -0.108 0.000 1.140 870 L CA 0.398 55.139 54.840 -0.164 0.000 0.896 870 L CB -0.576 41.261 42.059 -0.369 0.000 1.065 870 L HN 0.374 nan 8.230 nan 0.000 0.447 871 E N -0.724 119.428 120.200 -0.080 0.000 3.413 871 E HA -0.186 4.164 4.350 -0.001 0.000 0.300 871 E C -0.166 176.411 176.600 -0.038 0.000 0.891 871 E CA 0.499 56.873 56.400 -0.043 0.000 1.050 871 E CB -1.160 28.529 29.700 -0.018 0.000 1.534 871 E HN 0.629 nan 8.360 nan 0.000 0.436 872 E N 0.604 120.765 120.200 -0.064 0.000 2.242 872 E HA 0.323 4.672 4.350 -0.001 0.000 0.275 872 E C -2.523 174.038 176.600 -0.063 0.000 1.002 872 E CA -2.325 54.044 56.400 -0.052 0.000 0.841 872 E CB 0.893 30.556 29.700 -0.062 0.000 1.109 872 E HN -0.127 nan 8.360 nan 0.000 0.394 873 P HA -0.077 nan 4.420 nan 0.000 0.265 873 P C -0.515 176.740 177.300 -0.074 0.000 1.187 873 P CA 0.364 63.423 63.100 -0.069 0.000 0.766 873 P CB 0.421 32.089 31.700 -0.054 0.000 0.820 874 L N 1.901 123.069 121.223 -0.092 0.000 2.461 874 L HA 0.147 4.486 4.340 -0.001 0.000 0.272 874 L C 1.158 177.986 176.870 -0.070 0.000 1.197 874 L CA 0.560 55.346 54.840 -0.091 0.000 0.836 874 L CB 0.266 42.258 42.059 -0.112 0.000 1.105 874 L HN 0.340 nan 8.230 nan 0.000 0.477 875 T N 3.848 118.365 114.554 -0.062 0.000 2.874 875 T HA 0.482 4.832 4.350 -0.001 0.000 0.321 875 T C -1.569 173.101 174.700 -0.049 0.000 1.075 875 T CA -1.293 60.778 62.100 -0.049 0.000 0.966 875 T CB 0.487 69.332 68.868 -0.038 0.000 1.001 875 T HN 0.492 nan 8.240 nan 0.000 0.476 876 P HA 0.583 nan 4.420 nan 0.000 0.297 876 P C -0.796 176.469 177.300 -0.058 0.000 1.307 876 P CA -0.778 62.294 63.100 -0.048 0.000 0.773 876 P CB 0.598 32.273 31.700 -0.043 0.000 1.265 877 A N 0.633 123.420 122.820 -0.054 0.000 2.438 877 A HA 0.332 4.651 4.320 -0.001 0.000 0.280 877 A C 0.222 177.766 177.584 -0.067 0.000 1.160 877 A CA -0.216 51.784 52.037 -0.063 0.000 0.821 877 A CB -1.274 17.693 19.000 -0.054 0.000 1.101 877 A HN 0.396 nan 8.150 nan 0.000 0.515 878 I N 1.799 122.318 120.570 -0.084 0.000 2.440 878 I HA 0.217 4.387 4.170 -0.001 0.000 0.294 878 I C 0.568 176.632 176.117 -0.089 0.000 0.995 878 I CA -0.071 61.177 61.300 -0.087 0.000 1.306 878 I CB 1.432 39.369 38.000 -0.106 0.000 1.407 878 I HN 0.662 nan 8.210 nan 0.000 0.501 879 E N 3.532 123.692 120.200 -0.068 0.000 2.360 879 E HA 0.109 4.459 4.350 -0.001 0.000 0.269 879 E C 0.815 177.380 176.600 -0.058 0.000 1.022 879 E CA 0.069 56.435 56.400 -0.056 0.000 0.887 879 E CB 1.053 30.732 29.700 -0.035 0.000 0.990 879 E HN 0.418 nan 8.360 nan 0.000 0.426 880 V N 3.458 123.340 119.914 -0.053 0.000 2.453 880 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 880 V C 1.476 177.592 176.094 0.038 0.000 1.068 880 V CA 2.291 64.580 62.300 -0.018 0.000 1.070 880 V CB -0.459 31.351 31.823 -0.022 0.000 0.664 880 V HN 0.753 nan 8.190 nan 0.000 0.461 881 D N -0.353 120.058 120.400 0.018 0.000 2.312 881 D HA 0.077 4.716 4.640 -0.001 0.000 0.211 881 D C 0.996 177.316 176.300 0.034 0.000 0.964 881 D CA 0.719 54.740 54.000 0.034 0.000 0.877 881 D CB -0.065 40.748 40.800 0.022 0.000 0.924 881 D HN 0.544 nan 8.370 nan 0.000 0.515 882 A N 0.839 123.667 122.820 0.013 0.000 2.371 882 A HA 0.408 4.727 4.320 -0.001 0.000 0.257 882 A C -2.130 175.459 177.584 0.008 0.000 1.089 882 A CA -1.117 50.919 52.037 -0.002 0.000 0.794 882 A CB 0.058 19.040 19.000 -0.030 0.000 1.029 882 A HN 0.091 nan 8.150 nan 0.000 0.488 883 P HA 0.063 nan 4.420 nan 0.000 0.266 883 P C -0.502 176.787 177.300 -0.019 0.000 1.195 883 P CA -0.181 62.918 63.100 -0.001 0.000 0.768 883 P CB 0.335 32.025 31.700 -0.015 0.000 0.838 884 L N 2.495 123.711 121.223 -0.011 0.000 2.456 884 L HA 0.285 4.624 4.340 -0.001 0.000 0.277 884 L C 1.129 177.957 176.870 -0.069 0.000 1.124 884 L CA 0.366 55.181 54.840 -0.041 0.000 0.880 884 L CB -0.577 41.469 42.059 -0.021 0.000 1.192 884 L HN 0.491 nan 8.230 nan 0.000 0.463 885 R N 5.371 125.827 120.500 -0.073 0.000 2.861 885 R HA 0.292 4.631 4.340 -0.001 0.000 0.268 885 R C -2.365 173.874 176.300 -0.101 0.000 1.027 885 R CA -0.861 55.195 56.100 -0.073 0.000 1.163 885 R CB -1.622 28.645 30.300 -0.055 0.000 1.060 885 R HN 0.655 nan 8.270 nan 0.000 0.483 886 P HA 0.120 nan 4.420 nan 0.000 0.263 886 P C -0.466 176.756 177.300 -0.130 0.000 1.195 886 P CA 0.288 63.218 63.100 -0.283 0.000 0.762 886 P CB -0.138 31.429 31.700 -0.222 0.000 0.799 887 F N -0.282 119.687 119.950 0.033 0.000 3.084 887 F HA -0.243 4.283 4.527 -0.001 0.000 0.286 887 F C 0.902 176.731 175.800 0.047 0.000 0.855 887 F CA 0.712 58.758 58.000 0.077 0.000 1.091 887 F CB -2.289 36.752 39.000 0.068 0.000 1.177 887 F HN 0.367 nan 8.300 nan 0.000 0.542 888 E N 0.991 121.254 120.200 0.106 0.000 2.360 888 E HA 0.416 4.765 4.350 -0.001 0.000 0.269 888 E C 0.002 176.618 176.600 0.027 0.000 1.022 888 E CA -0.388 56.026 56.400 0.023 0.000 0.887 888 E CB 0.568 30.236 29.700 -0.052 0.000 0.990 888 E HN 0.336 nan 8.360 nan 0.000 0.426 889 I N 5.079 125.612 120.570 -0.062 0.000 2.307 889 I HA 0.266 4.435 4.170 -0.001 0.000 0.289 889 I C 0.279 176.279 176.117 -0.196 0.000 1.021 889 I CA -0.225 60.995 61.300 -0.133 0.000 1.224 889 I CB 1.001 38.772 38.000 -0.383 0.000 1.376 889 I HN 0.333 nan 8.210 nan 0.000 0.470 890 R N 4.499 124.874 120.500 -0.209 0.000 2.589 890 R HA 0.667 5.006 4.340 -0.001 0.000 0.293 890 R C -1.110 174.931 176.300 -0.431 0.000 0.963 890 R CA -0.308 55.524 56.100 -0.446 0.000 0.905 890 R CB 1.540 31.407 30.300 -0.722 0.000 1.144 890 R HN 0.517 nan 8.270 nan 0.000 0.459 891 T N 3.553 117.830 114.554 -0.461 0.000 2.824 891 T HA 0.414 4.763 4.350 -0.001 0.000 0.282 891 T C -1.053 173.465 174.700 -0.303 0.000 0.993 891 T CA -0.537 61.449 62.100 -0.190 0.000 0.967 891 T CB 0.716 69.534 68.868 -0.084 0.000 0.960 891 T HN 0.378 nan 8.240 nan 0.000 0.441 892 W N 2.248 123.554 121.300 0.010 0.000 2.520 892 W HA 0.554 5.213 4.660 -0.001 0.000 0.323 892 W C 0.360 176.822 176.519 -0.095 0.000 1.062 892 W CA -0.864 56.426 57.345 -0.092 0.000 1.215 892 W CB 1.756 31.168 29.460 -0.079 0.000 1.340 892 W HN 0.364 nan 8.180 nan 0.000 0.516 893 R N 1.818 122.310 120.500 -0.013 0.000 2.460 893 R HA 0.502 4.841 4.340 -0.001 0.000 0.303 893 R C -1.523 174.642 176.300 -0.224 0.000 0.968 893 R CA -0.451 55.633 56.100 -0.027 0.000 0.889 893 R CB 0.920 31.186 30.300 -0.058 0.000 1.123 893 R HN 0.290 nan 8.270 nan 0.000 0.455 894 F N 2.701 122.656 119.950 0.008 0.000 2.434 894 F HA 0.338 4.864 4.527 -0.001 0.000 0.355 894 F C 0.169 175.921 175.800 -0.080 0.000 1.115 894 F CA -0.497 57.485 58.000 -0.030 0.000 1.010 894 F CB 1.611 40.598 39.000 -0.021 0.000 1.234 894 F HN 0.433 nan 8.300 nan 0.000 0.439 895 E N 0.000 120.176 120.200 -0.040 0.000 2.725 895 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 895 E CA 0.000 56.311 56.400 -0.148 0.000 0.976 895 E CB 0.000 29.463 29.700 -0.396 0.000 0.812 895 E HN 0.000 nan 8.360 nan 0.000 0.440