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 2pwh_1_B DATA FIRST_RESID 2 DATA SEQUENCE PGAPWWKSAV FYQVYPRSFK DTNGDGIGDF KGLTEKLDYL KGLGIDAIWI DATA SEQUENCE NPHYASPNTD NGYDISDYRE VMKEYGTMED FDRLMAELKK RGMRLMVDVV DATA SEQUENCE INHSSDQHEW FKSSRASKDN PYRDYYFWRD GKDGHEPNNY PSFFGGSAWE DATA SEQUENCE KDPVTGQYYL HYFGRQQPDL NWDTPKLREE LYAMLRFWLD KGVSGMRFDT DATA SEQUENCE VATYSKTPGF PDLTPEQMKN FAEAYTQGPN LHRYLQEMHE KVFDHYDAVT DATA SEQUENCE AGEIFGAPLN QVPLFIDSRR KELDMAFTFD LIRYDRALDR WHTIPRTLAD DATA SEQUENCE FRQTIDKVDA IAGEYGWNTF FLGNHDNPRA VSHFGDDRPQ WREASAKALA DATA SEQUENCE TVTLTQRGTP FIFQGDELGM TNYPFKTLQD FDDIEVKGFF QDYVETGKAT DATA SEQUENCE AEELLTNVAL TSRDNARTPF QWDDSANAGF TTGKPWLKVN PNYTEINAAR DATA SEQUENCE EIGDPKSVYS FYRNLISIRH ETPALSTGSY RDIDPSNADV YAYTRSQDGE DATA SEQUENCE TYLVVVNFKA EPRSFTLPDG MHIAETLIES SSPAAPAAGA ASLELQPWQS DATA SEQUENCE GIYKVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.271 177.300 -0.048 0.000 1.155 2 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 2 P CB 0.000 31.692 31.700 -0.013 0.000 0.726 3 G N 1.051 109.821 108.800 -0.051 0.000 2.771 3 G HA2 0.418 4.378 3.960 -0.000 0.000 0.242 3 G HA3 0.418 4.378 3.960 -0.000 0.000 0.242 3 G C 0.159 174.975 174.900 -0.139 0.000 1.233 3 G CA 0.136 45.187 45.100 -0.080 0.000 0.858 3 G HN 0.676 nan 8.290 nan 0.000 0.591 4 A N 1.099 123.798 122.820 -0.200 0.000 2.316 4 A HA 0.699 5.019 4.320 -0.000 0.000 0.284 4 A C -1.776 175.556 177.584 -0.419 0.000 1.115 4 A CA -1.105 50.718 52.037 -0.357 0.000 0.812 4 A CB 0.294 19.041 19.000 -0.422 0.000 1.064 4 A HN 0.572 nan 8.150 nan 0.000 0.489 5 P HA -0.015 nan 4.420 nan 0.000 0.268 5 P C 1.026 177.900 177.300 -0.710 0.000 1.208 5 P CA -0.344 62.288 63.100 -0.781 0.000 0.777 5 P CB 0.293 31.055 31.700 -1.562 0.000 0.875 6 W N 3.166 124.278 121.300 -0.314 0.000 2.342 6 W HA -0.154 4.506 4.660 -0.000 0.000 0.297 6 W C 1.387 177.900 176.519 -0.009 0.000 1.213 6 W CA 1.065 58.345 57.345 -0.109 0.000 1.251 6 W CB -1.572 27.904 29.460 0.027 0.000 1.136 6 W HN 0.508 nan 8.180 nan 0.000 0.526 7 W N 1.659 122.222 121.300 -1.228 0.000 2.421 7 W HA 0.002 4.662 4.660 -0.000 0.000 0.270 7 W C 1.559 177.898 176.519 -0.300 0.000 1.233 7 W CA 0.884 57.627 57.345 -1.004 0.000 1.226 7 W CB -1.392 27.381 29.460 -1.144 0.000 1.121 7 W HN -0.009 nan 8.180 nan 0.000 0.579 8 K N 1.134 121.181 120.400 -0.590 0.000 2.288 8 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 8 K C 1.973 178.548 176.600 -0.040 0.000 1.048 8 K CA 1.653 57.629 56.287 -0.519 0.000 0.956 8 K CB -0.110 31.609 32.500 -1.303 0.000 0.746 8 K HN 0.111 nan 8.250 nan 0.000 0.461 9 S N -0.653 115.033 115.700 -0.025 0.000 2.578 9 S HA 0.318 4.788 4.470 -0.000 0.000 0.231 9 S C 0.423 175.167 174.600 0.241 0.000 0.994 9 S CA -0.722 57.546 58.200 0.114 0.000 0.956 9 S CB 0.567 63.801 63.200 0.057 0.000 0.870 9 S HN 0.151 nan 8.310 nan 0.000 0.494 10 A N 1.136 124.137 122.820 0.301 0.000 2.286 10 A HA 0.726 5.046 4.320 -0.000 0.000 0.286 10 A C -0.289 177.513 177.584 0.363 0.000 1.097 10 A CA -0.543 51.721 52.037 0.379 0.000 0.821 10 A CB 0.818 20.098 19.000 0.468 0.000 1.076 10 A HN 0.402 nan 8.150 nan 0.000 0.490 11 V N 1.980 122.064 119.914 0.283 0.000 2.378 11 V HA 0.389 4.509 4.120 -0.000 0.000 0.288 11 V C -0.956 175.240 176.094 0.170 0.000 1.016 11 V CA -0.136 62.297 62.300 0.222 0.000 0.840 11 V CB 0.540 32.421 31.823 0.097 0.000 0.994 11 V HN 0.694 nan 8.190 nan 0.000 0.431 12 F N 3.956 123.858 119.950 -0.081 0.000 2.403 12 F HA 0.579 5.106 4.527 -0.000 0.000 0.326 12 F C -0.288 175.549 175.800 0.061 0.000 1.081 12 F CA -0.583 57.303 58.000 -0.189 0.000 1.041 12 F CB 1.303 39.657 39.000 -1.078 0.000 1.234 12 F HN 0.453 nan 8.300 nan 0.000 0.503 13 Y N 2.094 122.524 120.300 0.216 0.000 2.373 13 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 13 Y C -0.719 175.342 175.900 0.268 0.000 0.979 13 Y CA -0.862 57.367 58.100 0.215 0.000 1.080 13 Y CB 1.323 39.843 38.460 0.099 0.000 1.190 13 Y HN 0.557 nan 8.280 nan 0.000 0.446 14 Q N 5.286 125.154 119.800 0.112 0.000 2.278 14 Q HA 0.601 4.941 4.340 -0.000 0.000 0.257 14 Q C -1.746 174.138 176.000 -0.194 0.000 0.928 14 Q CA -0.666 55.189 55.803 0.086 0.000 0.932 14 Q CB 1.234 30.071 28.738 0.165 0.000 1.221 14 Q HN 0.631 nan 8.270 nan 0.000 0.434 15 V N 5.025 124.831 119.914 -0.181 0.000 2.417 15 V HA 0.168 4.287 4.120 -0.000 0.000 0.291 15 V C -1.015 174.955 176.094 -0.206 0.000 1.024 15 V CA -0.691 61.436 62.300 -0.288 0.000 0.861 15 V CB 1.206 32.780 31.823 -0.415 0.000 0.985 15 V HN 0.711 nan 8.190 nan 0.000 0.436 16 Y N 8.296 128.463 120.300 -0.221 0.000 2.804 16 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 16 Y C -1.738 174.131 175.900 -0.051 0.000 1.092 16 Y CA -2.602 55.444 58.100 -0.090 0.000 1.315 16 Y CB 1.191 39.721 38.460 0.117 0.000 1.188 16 Y HN 0.534 nan 8.280 nan 0.000 0.512 17 P HA -0.340 nan 4.420 nan 0.000 0.219 17 P C 1.519 178.585 177.300 -0.391 0.000 1.158 17 P CA 2.148 64.950 63.100 -0.497 0.000 0.895 17 P CB 0.161 31.196 31.700 -1.109 0.000 0.792 18 R N -0.572 119.657 120.500 -0.451 0.000 2.170 18 R HA -0.076 4.263 4.340 -0.000 0.000 0.242 18 R C 0.726 177.166 176.300 0.234 0.000 1.145 18 R CA 1.742 57.727 56.100 -0.191 0.000 0.984 18 R CB -0.243 29.757 30.300 -0.500 0.000 0.869 18 R HN 0.143 nan 8.270 nan 0.000 0.455 19 S N -0.683 115.265 115.700 0.413 0.000 2.754 19 S HA 0.133 4.603 4.470 -0.000 0.000 0.247 19 S C -0.049 174.813 174.600 0.437 0.000 1.031 19 S CA -0.696 57.785 58.200 0.469 0.000 1.014 19 S CB 0.318 63.857 63.200 0.565 0.000 0.918 19 S HN 0.222 nan 8.310 nan 0.000 0.519 20 F N 2.676 122.856 119.950 0.384 0.000 2.208 20 F HA 0.531 5.058 4.527 -0.000 0.000 0.282 20 F C 0.415 176.631 175.800 0.693 0.000 1.071 20 F CA 0.683 58.910 58.000 0.379 0.000 1.228 20 F CB 0.314 39.424 39.000 0.183 0.000 1.088 20 F HN -0.028 nan 8.300 nan 0.000 0.512 21 K N 0.656 121.344 120.400 0.480 0.000 2.589 21 K HA 0.222 4.542 4.320 -0.000 0.000 0.253 21 K C -2.100 174.433 176.600 -0.112 0.000 0.974 21 K CA -0.493 55.879 56.287 0.140 0.000 0.835 21 K CB 1.034 33.408 32.500 -0.210 0.000 1.272 21 K HN 0.051 nan 8.250 nan 0.000 0.444 22 D N 1.527 121.631 120.400 -0.492 0.000 2.210 22 D HA 0.301 4.941 4.640 -0.000 0.000 0.249 22 D C 0.177 176.294 176.300 -0.305 0.000 1.078 22 D CA -0.233 53.509 54.000 -0.430 0.000 0.875 22 D CB 1.481 41.872 40.800 -0.682 0.000 1.175 22 D HN 0.589 nan 8.370 nan 0.000 0.440 23 T N -0.297 114.143 114.554 -0.189 0.000 3.043 23 T HA 0.110 4.460 4.350 -0.000 0.000 0.272 23 T C 0.567 175.202 174.700 -0.108 0.000 0.990 23 T CA -0.476 61.534 62.100 -0.150 0.000 0.897 23 T CB -0.220 68.579 68.868 -0.113 0.000 1.111 23 T HN 0.415 nan 8.240 nan 0.000 0.529 24 N N 0.706 119.346 118.700 -0.100 0.000 2.240 24 N HA 0.225 4.965 4.740 -0.000 0.000 0.240 24 N C 1.314 176.784 175.510 -0.066 0.000 1.277 24 N CA 0.168 53.177 53.050 -0.067 0.000 0.873 24 N CB 0.080 38.541 38.487 -0.042 0.000 1.222 24 N HN 0.439 nan 8.380 nan 0.000 0.507 25 G N 2.121 110.865 108.800 -0.093 0.000 2.187 25 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 25 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 25 G C 0.416 175.292 174.900 -0.040 0.000 1.000 25 G CA 0.848 45.902 45.100 -0.076 0.000 0.718 25 G HN 0.660 nan 8.290 nan 0.000 0.519 26 D N -0.446 119.937 120.400 -0.029 0.000 2.340 26 D HA 0.323 4.963 4.640 -0.000 0.000 0.220 26 D C 1.792 178.128 176.300 0.060 0.000 1.039 26 D CA 0.622 54.628 54.000 0.011 0.000 0.866 26 D CB -0.635 40.170 40.800 0.008 0.000 0.913 26 D HN 1.529 nan 8.370 nan 0.000 0.523 27 G N 0.213 109.045 108.800 0.053 0.000 2.157 27 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.248 27 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.248 27 G C 0.081 175.222 174.900 0.401 0.000 0.979 27 G CA 0.288 45.505 45.100 0.195 0.000 0.650 27 G HN 0.448 nan 8.290 nan 0.000 0.529 28 I N 0.858 121.562 120.570 0.224 0.000 2.545 28 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 28 I C 1.095 177.318 176.117 0.177 0.000 1.040 28 I CA -0.756 60.709 61.300 0.275 0.000 1.068 28 I CB 1.965 40.015 38.000 0.084 0.000 1.251 28 I HN 0.130 nan 8.210 nan 0.000 0.424 29 G N 3.250 112.246 108.800 0.326 0.000 2.554 29 G HA2 0.394 4.353 3.960 -0.000 0.000 0.238 29 G HA3 0.394 4.353 3.960 -0.000 0.000 0.238 29 G C -0.928 173.934 174.900 -0.063 0.000 1.259 29 G CA 0.018 45.218 45.100 0.166 0.000 0.843 29 G HN 0.786 nan 8.290 nan 0.000 0.582 30 D N -1.219 119.107 120.400 -0.122 0.000 2.652 30 D HA 0.425 5.065 4.640 -0.000 0.000 0.285 30 D C 0.361 176.561 176.300 -0.167 0.000 1.173 30 D CA -0.845 53.031 54.000 -0.207 0.000 0.981 30 D CB 0.426 41.200 40.800 -0.042 0.000 1.440 30 D HN 0.153 nan 8.370 nan 0.000 0.485 31 F N 0.246 120.184 119.950 -0.021 0.000 2.102 31 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 31 F C 2.174 177.962 175.800 -0.020 0.000 1.105 31 F CA 1.074 59.064 58.000 -0.017 0.000 1.239 31 F CB -0.652 38.379 39.000 0.052 0.000 0.991 31 F HN 0.287 nan 8.300 nan 0.000 0.474 32 K N -0.141 120.368 120.400 0.181 0.000 2.103 32 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 32 K C 2.417 179.022 176.600 0.008 0.000 1.048 32 K CA 1.230 57.557 56.287 0.068 0.000 0.930 32 K CB -0.909 31.610 32.500 0.032 0.000 0.716 32 K HN 0.390 nan 8.250 nan 0.000 0.444 33 G N 1.602 110.399 108.800 -0.005 0.000 2.418 33 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 33 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 33 G C 1.437 176.343 174.900 0.009 0.000 1.158 33 G CA 0.504 45.567 45.100 -0.063 0.000 0.771 33 G HN 0.171 nan 8.290 nan 0.000 0.545 34 L N 0.994 122.306 121.223 0.149 0.000 2.027 34 L HA 0.019 4.359 4.340 -0.000 0.000 0.206 34 L C 2.854 179.799 176.870 0.126 0.000 1.074 34 L CA 2.681 57.679 54.840 0.262 0.000 0.745 34 L CB -1.125 41.049 42.059 0.192 0.000 0.898 34 L HN 0.177 nan 8.230 nan 0.000 0.433 35 T N -0.337 114.253 114.554 0.061 0.000 2.720 35 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 35 T C 1.674 176.361 174.700 -0.022 0.000 1.037 35 T CA 1.905 64.007 62.100 0.002 0.000 1.144 35 T CB -0.328 68.531 68.868 -0.015 0.000 0.864 35 T HN 0.470 nan 8.240 nan 0.000 0.444 36 E N 0.288 120.458 120.200 -0.050 0.000 2.401 36 E HA -0.059 4.291 4.350 -0.000 0.000 0.199 36 E C 1.470 177.992 176.600 -0.130 0.000 1.023 36 E CA 0.589 56.927 56.400 -0.104 0.000 0.859 36 E CB 0.169 29.775 29.700 -0.156 0.000 0.780 36 E HN 0.194 nan 8.360 nan 0.000 0.523 37 K N 0.105 120.457 120.400 -0.081 0.000 2.399 37 K HA 0.158 4.478 4.320 -0.000 0.000 0.204 37 K C 1.388 178.063 176.600 0.124 0.000 1.023 37 K CA -0.030 56.235 56.287 -0.038 0.000 1.127 37 K CB 0.543 32.988 32.500 -0.092 0.000 0.856 37 K HN 0.170 nan 8.250 nan 0.000 0.514 38 L N 0.593 121.848 121.223 0.055 0.000 2.131 38 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 38 L C 1.452 178.338 176.870 0.026 0.000 1.092 38 L CA 1.095 55.953 54.840 0.030 0.000 0.759 38 L CB -0.252 41.797 42.059 -0.016 0.000 0.903 38 L HN 0.081 nan 8.230 nan 0.000 0.435 39 D N -0.704 119.716 120.400 0.034 0.000 2.178 39 D HA -0.226 4.414 4.640 -0.000 0.000 0.201 39 D C 1.864 178.211 176.300 0.077 0.000 0.980 39 D CA 1.141 55.162 54.000 0.035 0.000 0.842 39 D CB -0.093 40.724 40.800 0.027 0.000 0.948 39 D HN 0.331 nan 8.370 nan 0.000 0.472 40 Y N 1.522 121.838 120.300 0.027 0.000 2.114 40 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 40 Y C 2.141 178.099 175.900 0.098 0.000 1.143 40 Y CA 1.386 59.543 58.100 0.095 0.000 1.135 40 Y CB -0.496 38.060 38.460 0.160 0.000 0.980 40 Y HN -0.103 nan 8.280 nan 0.000 0.499 41 L N 0.121 121.275 121.223 -0.116 0.000 2.093 41 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 41 L C 2.471 179.227 176.870 -0.189 0.000 1.085 41 L CA 1.667 56.328 54.840 -0.298 0.000 0.755 41 L CB -0.630 41.270 42.059 -0.264 0.000 0.904 41 L HN 0.127 nan 8.230 nan 0.000 0.435 42 K N 1.024 121.366 120.400 -0.096 0.000 2.026 42 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 42 K C 1.964 178.538 176.600 -0.043 0.000 1.048 42 K CA 1.668 57.920 56.287 -0.058 0.000 0.929 42 K CB -0.822 31.656 32.500 -0.037 0.000 0.713 42 K HN 0.190 nan 8.250 nan 0.000 0.439 43 G N 0.547 109.325 108.800 -0.037 0.000 2.448 43 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 43 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 43 G C 1.358 176.261 174.900 0.005 0.000 1.127 43 G CA 0.871 45.978 45.100 0.011 0.000 0.766 43 G HN 0.340 nan 8.290 nan 0.000 0.552 44 L N 0.534 121.705 121.223 -0.087 0.000 2.217 44 L HA 0.296 4.636 4.340 -0.000 0.000 0.211 44 L C 1.952 178.789 176.870 -0.054 0.000 1.107 44 L CA 1.854 56.619 54.840 -0.124 0.000 0.783 44 L CB -0.134 41.796 42.059 -0.215 0.000 0.919 44 L HN 0.452 nan 8.230 nan 0.000 0.442 45 G N -1.180 107.614 108.800 -0.010 0.000 2.154 45 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.186 45 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.186 45 G C 0.118 175.102 174.900 0.139 0.000 1.000 45 G CA -0.053 45.099 45.100 0.087 0.000 0.664 45 G HN 0.140 nan 8.290 nan 0.000 0.513 46 I N 1.746 122.343 120.570 0.045 0.000 2.618 46 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 46 I C 0.863 176.994 176.117 0.023 0.000 1.146 46 I CA -0.003 61.327 61.300 0.049 0.000 1.425 46 I CB 0.740 38.727 38.000 -0.021 0.000 1.383 46 I HN 0.075 nan 8.210 nan 0.000 0.562 47 D N 4.395 124.809 120.400 0.022 0.000 2.262 47 D HA 0.212 4.852 4.640 -0.000 0.000 0.212 47 D C 0.557 176.757 176.300 -0.166 0.000 0.964 47 D CA 0.743 54.722 54.000 -0.034 0.000 0.875 47 D CB 0.861 41.703 40.800 0.071 0.000 0.996 47 D HN 0.624 nan 8.370 nan 0.000 0.497 48 A N 0.243 122.874 122.820 -0.315 0.000 2.572 48 A HA 0.670 4.990 4.320 -0.000 0.000 0.295 48 A C -1.309 176.150 177.584 -0.209 0.000 1.072 48 A CA -0.562 51.228 52.037 -0.410 0.000 0.691 48 A CB 1.523 20.006 19.000 -0.861 0.000 1.291 48 A HN 0.003 nan 8.150 nan 0.000 0.404 49 I N 0.762 121.359 120.570 0.046 0.000 2.509 49 I HA 0.433 4.603 4.170 -0.000 0.000 0.293 49 I C -1.106 175.299 176.117 0.480 0.000 1.020 49 I CA -0.378 61.074 61.300 0.254 0.000 1.088 49 I CB 2.016 40.088 38.000 0.119 0.000 1.267 49 I HN 0.804 nan 8.210 nan 0.000 0.430 50 W N 8.901 130.457 121.300 0.427 0.000 2.417 50 W HA 0.667 5.327 4.660 -0.000 0.000 0.315 50 W C -1.132 175.543 176.519 0.259 0.000 1.045 50 W CA -1.660 55.943 57.345 0.430 0.000 1.221 50 W CB 0.660 30.499 29.460 0.632 0.000 1.309 50 W HN 0.326 nan 8.180 nan 0.000 0.453 51 I N 3.468 124.185 120.570 0.246 0.000 2.437 51 I HA 0.513 4.683 4.170 -0.000 0.000 0.298 51 I C 0.102 176.168 176.117 -0.085 0.000 0.984 51 I CA -0.896 60.369 61.300 -0.059 0.000 1.214 51 I CB 1.227 39.237 38.000 0.017 0.000 1.365 51 I HN 0.378 nan 8.210 nan 0.000 0.469 52 N N 5.217 123.754 118.700 -0.271 0.000 2.326 52 N HA 0.244 4.984 4.740 -0.000 0.000 0.239 52 N C -2.543 172.925 175.510 -0.071 0.000 1.301 52 N CA -0.660 52.287 53.050 -0.171 0.000 0.909 52 N CB -0.118 38.220 38.487 -0.249 0.000 1.156 52 N HN 0.501 nan 8.380 nan 0.000 0.462 53 P HA -0.134 nan 4.420 nan 0.000 0.259 53 P C -0.497 176.746 177.300 -0.095 0.000 1.155 53 P CA 0.971 63.990 63.100 -0.135 0.000 0.759 53 P CB 0.040 31.494 31.700 -0.410 0.000 0.753 54 H N 2.099 120.911 119.070 -0.431 0.000 2.567 54 H HA 0.212 4.768 4.556 -0.000 0.000 0.267 54 H C -0.500 174.559 175.328 -0.448 0.000 1.148 54 H CA -0.393 55.509 56.048 -0.244 0.000 1.031 54 H CB -0.516 29.278 29.762 0.052 0.000 1.691 54 H HN 0.298 nan 8.280 nan 0.000 0.588 55 Y N 1.196 121.196 120.300 -0.501 0.000 2.458 55 Y HA 0.564 5.114 4.550 -0.000 0.000 0.322 55 Y C 0.885 176.594 175.900 -0.319 0.000 1.259 55 Y CA -0.907 56.942 58.100 -0.419 0.000 1.302 55 Y CB 0.599 38.797 38.460 -0.437 0.000 1.314 55 Y HN 0.204 nan 8.280 nan 0.000 0.509 56 A N 1.371 124.141 122.820 -0.084 0.000 2.566 56 A HA 0.393 4.712 4.320 -0.000 0.000 0.245 56 A C 0.258 177.729 177.584 -0.190 0.000 1.056 56 A CA 0.667 52.612 52.037 -0.152 0.000 0.757 56 A CB -0.507 18.406 19.000 -0.145 0.000 0.979 56 A HN 0.632 nan 8.150 nan 0.000 0.508 57 S N 2.711 118.291 115.700 -0.199 0.000 2.535 57 S HA 0.617 5.087 4.470 -0.000 0.000 0.272 57 S C -2.695 171.813 174.600 -0.153 0.000 1.149 57 S CA -0.830 57.264 58.200 -0.177 0.000 0.888 57 S CB 1.635 64.725 63.200 -0.185 0.000 1.110 57 S HN 0.291 nan 8.310 nan 0.000 0.463 58 P HA 0.213 nan 4.420 nan 0.000 0.237 58 P C -0.106 177.147 177.300 -0.079 0.000 1.178 58 P CA 0.334 63.384 63.100 -0.084 0.000 0.766 58 P CB -0.136 31.531 31.700 -0.055 0.000 0.876 59 N N -1.641 117.006 118.700 -0.089 0.000 2.747 59 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 59 N C 0.839 176.336 175.510 -0.023 0.000 1.107 59 N CA 1.435 54.437 53.050 -0.080 0.000 0.707 59 N CB -1.717 36.687 38.487 -0.138 0.000 1.054 59 N HN 0.319 nan 8.380 nan 0.000 0.555 60 T N -4.067 110.493 114.554 0.010 0.000 2.995 60 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 60 T C 0.856 175.594 174.700 0.064 0.000 1.091 60 T CA 1.453 63.573 62.100 0.034 0.000 1.128 60 T CB 0.246 69.143 68.868 0.048 0.000 0.891 60 T HN 0.142 nan 8.240 nan 0.000 0.492 61 D N 1.099 121.564 120.400 0.109 0.000 2.819 61 D HA 0.183 4.823 4.640 -0.000 0.000 0.326 61 D C -0.625 175.811 176.300 0.225 0.000 1.408 61 D CA -0.697 53.414 54.000 0.185 0.000 0.811 61 D CB -1.341 39.652 40.800 0.320 0.000 1.148 61 D HN 0.409 nan 8.370 nan 0.000 0.457 62 N N 0.497 119.255 118.700 0.096 0.000 2.686 62 N HA -0.245 4.495 4.740 -0.000 0.000 0.261 62 N C 0.924 176.427 175.510 -0.011 0.000 1.001 62 N CA 0.471 53.529 53.050 0.015 0.000 0.764 62 N CB -0.635 37.900 38.487 0.079 0.000 0.898 62 N HN 0.525 nan 8.380 nan 0.000 0.544 63 G N -1.046 107.701 108.800 -0.088 0.000 2.279 63 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.223 63 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.223 63 G C 0.342 175.111 174.900 -0.218 0.000 1.015 63 G CA 0.219 45.198 45.100 -0.202 0.000 0.621 63 G HN 0.477 nan 8.290 nan 0.000 0.506 64 Y N 2.743 123.085 120.300 0.069 0.000 2.502 64 Y HA 0.279 4.828 4.550 -0.000 0.000 0.295 64 Y C 0.816 176.795 175.900 0.133 0.000 1.193 64 Y CA 0.692 58.857 58.100 0.109 0.000 1.295 64 Y CB 0.474 39.024 38.460 0.150 0.000 1.059 64 Y HN 0.410 nan 8.280 nan 0.000 0.514 65 D N 0.064 120.551 120.400 0.145 0.000 2.438 65 D HA 0.217 4.857 4.640 -0.000 0.000 0.257 65 D C -0.503 175.770 176.300 -0.045 0.000 1.148 65 D CA -0.155 53.910 54.000 0.108 0.000 0.902 65 D CB 0.294 41.159 40.800 0.109 0.000 1.062 65 D HN 0.135 nan 8.370 nan 0.000 0.518 66 I N 1.553 122.036 120.570 -0.146 0.000 2.371 66 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 66 I C 1.539 177.473 176.117 -0.305 0.000 1.028 66 I CA -0.329 60.768 61.300 -0.339 0.000 1.345 66 I CB 1.551 39.112 38.000 -0.732 0.000 1.407 66 I HN 0.338 nan 8.210 nan 0.000 0.501 67 S N 2.486 118.023 115.700 -0.271 0.000 2.517 67 S HA 0.119 4.589 4.470 -0.000 0.000 0.214 67 S C 0.260 174.556 174.600 -0.508 0.000 0.991 67 S CA -0.149 57.895 58.200 -0.260 0.000 0.906 67 S CB 0.173 63.250 63.200 -0.205 0.000 0.789 67 S HN 0.719 nan 8.310 nan 0.000 0.513 68 D N -0.407 119.710 120.400 -0.472 0.000 2.419 68 D HA 0.195 4.835 4.640 -0.000 0.000 0.219 68 D C -0.772 175.353 176.300 -0.293 0.000 1.349 68 D CA -0.456 53.265 54.000 -0.465 0.000 0.964 68 D CB 0.438 41.032 40.800 -0.343 0.000 1.463 68 D HN 0.000 nan 8.370 nan 0.000 0.573 69 Y N 1.848 122.073 120.300 -0.127 0.000 2.574 69 Y HA 0.051 4.601 4.550 -0.000 0.000 0.294 69 Y C 1.975 178.025 175.900 0.251 0.000 1.142 69 Y CA 0.859 58.923 58.100 -0.060 0.000 1.314 69 Y CB 0.295 38.697 38.460 -0.096 0.000 0.991 69 Y HN 0.186 nan 8.280 nan 0.000 0.555 70 R N -0.068 120.505 120.500 0.123 0.000 2.546 70 R HA 0.142 4.482 4.340 -0.000 0.000 0.320 70 R C -0.428 175.905 176.300 0.056 0.000 1.021 70 R CA 0.082 56.119 56.100 -0.105 0.000 1.088 70 R CB 0.495 30.300 30.300 -0.824 0.000 1.278 70 R HN 0.063 nan 8.270 nan 0.000 0.557 71 E N 1.365 121.669 120.200 0.172 0.000 2.266 71 E HA 0.184 4.534 4.350 -0.000 0.000 0.268 71 E C -0.220 176.491 176.600 0.185 0.000 0.879 71 E CA -0.733 55.745 56.400 0.131 0.000 0.762 71 E CB 2.604 32.304 29.700 0.001 0.000 1.199 71 E HN -0.069 nan 8.360 nan 0.000 0.422 72 V N -0.532 119.498 119.914 0.194 0.000 3.133 72 V HA 0.376 4.496 4.120 -0.000 0.000 0.305 72 V C 0.721 176.835 176.094 0.034 0.000 1.084 72 V CA -0.872 61.533 62.300 0.174 0.000 1.089 72 V CB 0.820 32.896 31.823 0.421 0.000 1.073 72 V HN 0.781 nan 8.190 nan 0.000 0.477 73 M N 2.382 121.927 119.600 -0.092 0.000 2.238 73 M HA 0.207 4.687 4.480 -0.000 0.000 0.350 73 M C 1.187 177.348 176.300 -0.233 0.000 1.321 73 M CA -0.311 54.805 55.300 -0.305 0.000 1.097 73 M CB 0.724 32.872 32.600 -0.753 0.000 1.713 73 M HN 0.802 nan 8.290 nan 0.000 0.455 74 K N 3.061 123.342 120.400 -0.199 0.000 2.044 74 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 74 K C 1.360 177.881 176.600 -0.132 0.000 1.049 74 K CA 1.975 58.188 56.287 -0.122 0.000 0.927 74 K CB -0.301 32.130 32.500 -0.114 0.000 0.713 74 K HN 0.697 nan 8.250 nan 0.000 0.443 75 E N -0.277 119.777 120.200 -0.243 0.000 2.204 75 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 75 E C 1.691 178.285 176.600 -0.011 0.000 0.990 75 E CA 0.972 57.270 56.400 -0.169 0.000 0.821 75 E CB -0.181 29.369 29.700 -0.250 0.000 0.750 75 E HN 0.347 nan 8.360 nan 0.000 0.477 76 Y N -1.106 119.029 120.300 -0.276 0.000 2.510 76 Y HA 0.381 4.931 4.550 -0.000 0.000 0.273 76 Y C 1.429 177.203 175.900 -0.209 0.000 1.119 76 Y CA 0.516 58.314 58.100 -0.502 0.000 1.286 76 Y CB 0.112 37.868 38.460 -1.174 0.000 1.061 76 Y HN 0.036 nan 8.280 nan 0.000 0.542 77 G N -0.415 108.484 108.800 0.165 0.000 2.247 77 G HA2 0.154 4.114 3.960 -0.000 0.000 0.229 77 G HA3 0.154 4.114 3.960 -0.000 0.000 0.229 77 G C -0.535 174.530 174.900 0.274 0.000 1.345 77 G CA -0.390 44.873 45.100 0.271 0.000 1.100 77 G HN 0.267 nan 8.290 nan 0.000 0.473 78 T N -2.764 111.962 114.554 0.287 0.000 2.910 78 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 78 T C 1.371 176.218 174.700 0.245 0.000 1.050 78 T CA 0.477 62.705 62.100 0.213 0.000 1.011 78 T CB 1.747 70.695 68.868 0.133 0.000 1.195 78 T HN 1.037 nan 8.240 nan 0.000 0.540 79 M N 0.460 120.178 119.600 0.196 0.000 2.213 79 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 79 M C 2.107 178.516 176.300 0.181 0.000 1.062 79 M CA 1.748 57.174 55.300 0.209 0.000 1.105 79 M CB -1.051 31.643 32.600 0.157 0.000 1.385 79 M HN 0.894 nan 8.290 nan 0.000 0.417 80 E N -0.325 119.949 120.200 0.123 0.000 2.058 80 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 80 E C 1.398 178.030 176.600 0.053 0.000 0.997 80 E CA 1.692 58.138 56.400 0.076 0.000 0.801 80 E CB -0.132 29.603 29.700 0.058 0.000 0.746 80 E HN 0.547 nan 8.360 nan 0.000 0.450 81 D N -0.083 120.369 120.400 0.086 0.000 2.144 81 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 81 D C 1.720 177.936 176.300 -0.141 0.000 0.984 81 D CA 0.778 54.810 54.000 0.053 0.000 0.834 81 D CB -0.345 40.593 40.800 0.230 0.000 0.955 81 D HN 0.226 nan 8.370 nan 0.000 0.465 82 F N 2.215 121.944 119.950 -0.368 0.000 2.113 82 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 82 F C 1.738 177.366 175.800 -0.287 0.000 1.103 82 F CA 1.304 58.942 58.000 -0.603 0.000 1.248 82 F CB -0.016 38.756 39.000 -0.380 0.000 0.999 82 F HN -0.224 nan 8.300 nan 0.000 0.475 83 D N 0.030 120.377 120.400 -0.088 0.000 2.178 83 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 83 D C 2.281 178.458 176.300 -0.206 0.000 0.980 83 D CA 1.175 55.095 54.000 -0.134 0.000 0.842 83 D CB -0.426 40.373 40.800 -0.001 0.000 0.948 83 D HN 0.306 nan 8.370 nan 0.000 0.472 84 R N 0.284 120.682 120.500 -0.169 0.000 2.075 84 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 84 R C 2.210 178.390 176.300 -0.201 0.000 1.126 84 R CA 0.611 56.625 56.100 -0.142 0.000 0.963 84 R CB -0.414 29.835 30.300 -0.084 0.000 0.858 84 R HN 0.097 nan 8.270 nan 0.000 0.435 85 L N 0.329 121.372 121.223 -0.302 0.000 2.012 85 L HA -0.180 4.159 4.340 -0.000 0.000 0.210 85 L C 1.935 178.601 176.870 -0.340 0.000 1.073 85 L CA 1.886 56.533 54.840 -0.321 0.000 0.748 85 L CB -0.441 41.341 42.059 -0.460 0.000 0.891 85 L HN 0.271 nan 8.230 nan 0.000 0.431 86 M N -0.426 118.889 119.600 -0.474 0.000 2.065 86 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 86 M C 2.452 178.622 176.300 -0.218 0.000 1.069 86 M CA 1.995 57.072 55.300 -0.371 0.000 1.110 86 M CB -1.696 30.660 32.600 -0.407 0.000 1.328 86 M HN 0.479 nan 8.290 nan 0.000 0.405 87 A N -0.074 122.635 122.820 -0.186 0.000 1.908 87 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 87 A C 2.067 179.585 177.584 -0.110 0.000 1.181 87 A CA 1.508 53.471 52.037 -0.124 0.000 0.627 87 A CB -0.515 18.424 19.000 -0.102 0.000 0.818 87 A HN 0.451 nan 8.150 nan 0.000 0.445 88 E N -0.172 119.957 120.200 -0.118 0.000 2.152 88 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 88 E C 2.020 178.563 176.600 -0.096 0.000 0.983 88 E CA 0.579 56.922 56.400 -0.095 0.000 0.818 88 E CB -0.329 29.319 29.700 -0.087 0.000 0.758 88 E HN 0.677 nan 8.360 nan 0.000 0.467 89 L N 0.602 121.754 121.223 -0.119 0.000 2.056 89 L HA -0.136 4.203 4.340 -0.000 0.000 0.207 89 L C 2.630 179.434 176.870 -0.109 0.000 1.078 89 L CA 1.126 55.897 54.840 -0.114 0.000 0.749 89 L CB -0.243 41.736 42.059 -0.133 0.000 0.901 89 L HN 0.042 nan 8.230 nan 0.000 0.433 90 K N 0.404 120.737 120.400 -0.111 0.000 2.057 90 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 90 K C 2.101 178.649 176.600 -0.087 0.000 1.049 90 K CA 1.276 57.502 56.287 -0.101 0.000 0.931 90 K CB 0.106 32.551 32.500 -0.093 0.000 0.714 90 K HN 0.157 nan 8.250 nan 0.000 0.440 91 K N 0.090 120.444 120.400 -0.078 0.000 2.103 91 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 91 K C 1.754 178.316 176.600 -0.064 0.000 1.048 91 K CA 1.394 57.642 56.287 -0.065 0.000 0.930 91 K CB -0.031 32.434 32.500 -0.059 0.000 0.716 91 K HN 0.139 nan 8.250 nan 0.000 0.444 92 R N -0.336 120.121 120.500 -0.070 0.000 2.334 92 R HA 0.068 4.408 4.340 -0.000 0.000 0.220 92 R C 0.691 176.943 176.300 -0.080 0.000 0.917 92 R CA 0.395 56.455 56.100 -0.067 0.000 1.073 92 R CB 0.545 30.807 30.300 -0.063 0.000 1.056 92 R HN 0.314 nan 8.270 nan 0.000 0.506 93 G N 1.657 110.402 108.800 -0.092 0.000 2.198 93 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 93 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 93 G C 0.101 174.917 174.900 -0.140 0.000 1.025 93 G CA 0.384 45.416 45.100 -0.112 0.000 0.769 93 G HN 0.205 nan 8.290 nan 0.000 0.507 94 M N -0.856 118.664 119.600 -0.134 0.000 2.528 94 M HA 0.616 5.096 4.480 -0.000 0.000 0.318 94 M C 0.793 176.988 176.300 -0.174 0.000 1.195 94 M CA -0.554 54.656 55.300 -0.150 0.000 1.000 94 M CB 1.525 34.056 32.600 -0.115 0.000 1.615 94 M HN 0.128 nan 8.290 nan 0.000 0.469 95 R N 0.834 121.213 120.500 -0.201 0.000 2.787 95 R HA 0.748 5.088 4.340 -0.000 0.000 0.271 95 R C -1.471 174.805 176.300 -0.040 0.000 0.993 95 R CA -1.007 54.989 56.100 -0.173 0.000 0.993 95 R CB 1.846 31.944 30.300 -0.338 0.000 1.155 95 R HN 0.454 nan 8.270 nan 0.000 0.486 96 L N 2.124 123.369 121.223 0.037 0.000 2.329 96 L HA 0.528 4.867 4.340 -0.000 0.000 0.279 96 L C -0.941 176.091 176.870 0.270 0.000 1.014 96 L CA -0.335 54.577 54.840 0.121 0.000 0.814 96 L CB 1.751 43.827 42.059 0.029 0.000 1.257 96 L HN 0.650 nan 8.230 nan 0.000 0.424 97 M N 6.595 126.429 119.600 0.390 0.000 2.181 97 M HA 0.619 5.099 4.480 -0.000 0.000 0.323 97 M C -1.291 175.277 176.300 0.448 0.000 1.004 97 M CA -0.800 54.779 55.300 0.466 0.000 0.941 97 M CB 1.439 34.436 32.600 0.661 0.000 1.579 97 M HN 0.533 nan 8.290 nan 0.000 0.427 98 V N 1.141 121.256 119.914 0.336 0.000 2.834 98 V HA 0.593 4.713 4.120 -0.000 0.000 0.313 98 V C -0.402 175.877 176.094 0.308 0.000 1.060 98 V CA -0.722 61.769 62.300 0.320 0.000 0.989 98 V CB 1.675 33.630 31.823 0.220 0.000 1.041 98 V HN 0.811 nan 8.190 nan 0.000 0.459 99 D N 1.205 121.837 120.400 0.386 0.000 2.264 99 D HA 0.435 5.075 4.640 -0.000 0.000 0.250 99 D C -0.906 175.501 176.300 0.179 0.000 1.113 99 D CA 0.056 54.253 54.000 0.329 0.000 0.871 99 D CB 1.831 42.891 40.800 0.433 0.000 1.167 99 D HN 0.502 nan 8.370 nan 0.000 0.447 100 V N 4.336 124.229 119.914 -0.036 0.000 2.378 100 V HA 0.203 4.323 4.120 -0.000 0.000 0.288 100 V C 0.124 176.215 176.094 -0.005 0.000 1.016 100 V CA -0.767 61.440 62.300 -0.154 0.000 0.840 100 V CB 1.748 33.223 31.823 -0.581 0.000 0.994 100 V HN 0.328 nan 8.190 nan 0.000 0.431 101 V N 7.298 127.230 119.914 0.030 0.000 2.239 101 V HA 0.355 4.475 4.120 -0.000 0.000 0.267 101 V C 0.586 176.728 176.094 0.081 0.000 1.056 101 V CA -0.052 62.296 62.300 0.080 0.000 0.830 101 V CB 0.606 32.447 31.823 0.031 0.000 1.090 101 V HN 0.860 nan 8.190 nan 0.000 0.459 102 I N 0.069 120.737 120.570 0.163 0.000 3.833 102 I HA 0.420 4.590 4.170 -0.000 0.000 0.328 102 I C 1.172 177.449 176.117 0.267 0.000 1.554 102 I CA 0.008 61.386 61.300 0.129 0.000 1.116 102 I CB 0.063 38.109 38.000 0.076 0.000 1.182 102 I HN 0.440 nan 8.210 nan 0.000 0.459 103 N N 1.514 120.426 118.700 0.354 0.000 2.415 103 N HA -0.017 4.723 4.740 -0.000 0.000 0.176 103 N C 0.400 176.210 175.510 0.500 0.000 1.042 103 N CA 0.557 53.960 53.050 0.588 0.000 0.902 103 N CB 0.307 39.248 38.487 0.758 0.000 0.986 103 N HN 0.656 nan 8.380 nan 0.000 0.447 104 H N -3.113 116.162 119.070 0.341 0.000 2.967 104 H HA 0.441 4.997 4.556 -0.000 0.000 0.318 104 H C -1.420 174.076 175.328 0.280 0.000 1.375 104 H CA -0.797 55.426 56.048 0.292 0.000 1.132 104 H CB 0.599 30.530 29.762 0.281 0.000 1.848 104 H HN 0.053 nan 8.280 nan 0.000 0.524 105 S N 0.201 116.110 115.700 0.350 0.000 2.740 105 S HA 0.501 4.970 4.470 -0.000 0.000 0.300 105 S C -0.193 174.497 174.600 0.151 0.000 1.147 105 S CA -0.454 57.880 58.200 0.223 0.000 0.871 105 S CB 1.940 65.294 63.200 0.258 0.000 1.173 105 S HN 0.831 nan 8.310 nan 0.000 0.510 106 S N -0.056 115.676 115.700 0.053 0.000 2.603 106 S HA 0.193 4.663 4.470 -0.000 0.000 0.268 106 S C 0.705 175.257 174.600 -0.080 0.000 1.317 106 S CA 0.078 58.276 58.200 -0.002 0.000 1.012 106 S CB 0.157 63.340 63.200 -0.030 0.000 0.926 106 S HN 0.795 nan 8.310 nan 0.000 0.539 107 D N 1.803 122.099 120.400 -0.173 0.000 2.363 107 D HA -0.036 4.604 4.640 -0.000 0.000 0.226 107 D C 0.878 177.222 176.300 0.072 0.000 1.020 107 D CA 0.506 54.347 54.000 -0.264 0.000 0.892 107 D CB -0.038 40.602 40.800 -0.267 0.000 0.900 107 D HN 0.460 nan 8.370 nan 0.000 0.531 108 Q N -0.243 119.574 119.800 0.029 0.000 2.319 108 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 108 Q C 0.359 176.363 176.000 0.006 0.000 0.896 108 Q CA -0.088 55.727 55.803 0.021 0.000 0.942 108 Q CB -0.137 28.581 28.738 -0.032 0.000 1.083 108 Q HN 0.538 nan 8.270 nan 0.000 0.510 109 H N 2.029 121.075 119.070 -0.041 0.000 2.848 109 H HA 0.001 4.556 4.556 -0.000 0.000 0.341 109 H C 0.869 176.171 175.328 -0.043 0.000 1.060 109 H CA 0.443 56.431 56.048 -0.099 0.000 1.444 109 H CB 1.073 30.788 29.762 -0.078 0.000 1.446 109 H HN -0.009 nan 8.280 nan 0.000 0.583 110 E N 3.837 123.952 120.200 -0.142 0.000 2.130 110 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 110 E C 2.060 178.744 176.600 0.140 0.000 0.998 110 E CA 0.904 57.271 56.400 -0.054 0.000 0.806 110 E CB -0.148 29.433 29.700 -0.198 0.000 0.738 110 E HN 0.701 nan 8.360 nan 0.000 0.459 111 W N 0.112 121.617 121.300 0.343 0.000 2.338 111 W HA -0.149 4.511 4.660 -0.000 0.000 0.304 111 W C 2.266 178.955 176.519 0.284 0.000 1.212 111 W CA 0.378 57.827 57.345 0.174 0.000 1.264 111 W CB -1.434 28.270 29.460 0.406 0.000 1.142 111 W HN 0.081 nan 8.180 nan 0.000 0.512 112 F N 1.277 121.434 119.950 0.346 0.000 2.206 112 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 112 F C 2.186 177.958 175.800 -0.046 0.000 1.090 112 F CA 1.548 59.478 58.000 -0.117 0.000 1.323 112 F CB -0.361 38.387 39.000 -0.420 0.000 1.028 112 F HN -0.235 nan 8.300 nan 0.000 0.492 113 K N -0.455 119.949 120.400 0.007 0.000 2.057 113 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 113 K C 2.202 178.707 176.600 -0.158 0.000 1.049 113 K CA 1.697 57.925 56.287 -0.099 0.000 0.931 113 K CB -0.363 32.108 32.500 -0.049 0.000 0.714 113 K HN 0.169 nan 8.250 nan 0.000 0.440 114 S N 0.491 116.112 115.700 -0.131 0.000 2.371 114 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 114 S C 2.061 176.606 174.600 -0.090 0.000 1.029 114 S CA 1.135 59.254 58.200 -0.135 0.000 0.978 114 S CB -0.119 62.919 63.200 -0.271 0.000 0.833 114 S HN 0.313 nan 8.310 nan 0.000 0.466 115 S N 2.367 118.046 115.700 -0.035 0.000 2.359 115 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 115 S C 2.009 176.456 174.600 -0.255 0.000 1.035 115 S CA 1.488 59.708 58.200 0.032 0.000 1.018 115 S CB -0.303 63.114 63.200 0.361 0.000 0.876 115 S HN 0.651 nan 8.310 nan 0.000 0.448 116 R N 0.592 120.820 120.500 -0.452 0.000 2.276 116 R HA 0.278 4.618 4.340 -0.000 0.000 0.203 116 R C 2.060 178.091 176.300 -0.448 0.000 1.017 116 R CA 0.966 56.706 56.100 -0.599 0.000 1.010 116 R CB -0.519 29.430 30.300 -0.586 0.000 0.900 116 R HN 0.368 nan 8.270 nan 0.000 0.469 117 A N 1.130 123.765 122.820 -0.309 0.000 2.015 117 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 117 A C 0.918 178.376 177.584 -0.211 0.000 1.163 117 A CA 1.030 52.939 52.037 -0.214 0.000 0.646 117 A CB -0.072 18.839 19.000 -0.148 0.000 0.806 117 A HN 0.639 nan 8.150 nan 0.000 0.448 118 S N -3.401 112.143 115.700 -0.260 0.000 2.636 118 S HA 0.412 4.882 4.470 -0.000 0.000 0.266 118 S C -0.062 174.377 174.600 -0.268 0.000 1.147 118 S CA -0.354 57.712 58.200 -0.223 0.000 0.815 118 S CB 0.733 63.850 63.200 -0.138 0.000 1.119 118 S HN 0.114 nan 8.310 nan 0.000 0.470 119 K N 0.091 120.369 120.400 -0.204 0.000 2.243 119 K HA 0.147 4.467 4.320 -0.000 0.000 0.201 119 K C 0.639 177.174 176.600 -0.108 0.000 1.051 119 K CA 1.267 57.447 56.287 -0.177 0.000 0.970 119 K CB -0.313 32.120 32.500 -0.112 0.000 0.755 119 K HN 0.857 nan 8.250 nan 0.000 0.465 120 D N 2.061 122.408 120.400 -0.088 0.000 2.483 120 D HA 0.203 4.843 4.640 -0.000 0.000 0.281 120 D C -0.821 175.446 176.300 -0.055 0.000 1.174 120 D CA -0.763 53.202 54.000 -0.057 0.000 0.938 120 D CB -0.163 40.611 40.800 -0.043 0.000 1.002 120 D HN 0.333 nan 8.370 nan 0.000 0.501 121 N N -1.618 117.050 118.700 -0.053 0.000 2.357 121 N HA 0.603 5.342 4.740 -0.000 0.000 0.284 121 N C -2.391 173.084 175.510 -0.058 0.000 1.236 121 N CA -1.665 51.365 53.050 -0.034 0.000 0.774 121 N CB 2.208 40.689 38.487 -0.009 0.000 1.534 121 N HN -0.147 nan 8.380 nan 0.000 0.478 122 P HA -0.113 nan 4.420 nan 0.000 0.218 122 P C -0.096 176.873 177.300 -0.551 0.000 1.146 122 P CA 1.363 64.263 63.100 -0.334 0.000 0.813 122 P CB -0.073 31.347 31.700 -0.466 0.000 0.778 123 Y N -2.166 117.979 120.300 -0.258 0.000 2.468 123 Y HA 0.223 4.772 4.550 -0.000 0.000 0.268 123 Y C 2.265 178.136 175.900 -0.048 0.000 1.177 123 Y CA -0.347 57.492 58.100 -0.434 0.000 1.265 123 Y CB -0.289 37.885 38.460 -0.476 0.000 1.103 123 Y HN -0.244 nan 8.280 nan 0.000 0.522 124 R N 1.228 121.791 120.500 0.104 0.000 2.083 124 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 124 R C 0.807 177.320 176.300 0.355 0.000 1.137 124 R CA 1.968 58.176 56.100 0.180 0.000 0.951 124 R CB -0.464 29.862 30.300 0.043 0.000 0.851 124 R HN 0.148 nan 8.270 nan 0.000 0.434 125 D N -0.613 119.925 120.400 0.229 0.000 2.323 125 D HA -0.054 4.585 4.640 -0.000 0.000 0.239 125 D C 0.371 176.727 176.300 0.094 0.000 1.129 125 D CA 0.280 54.383 54.000 0.172 0.000 0.865 125 D CB 0.040 40.883 40.800 0.072 0.000 0.913 125 D HN 0.273 nan 8.370 nan 0.000 0.517 126 Y N -0.596 119.654 120.300 -0.082 0.000 2.544 126 Y HA 0.026 4.576 4.550 -0.000 0.000 0.286 126 Y C 0.279 175.769 175.900 -0.683 0.000 1.141 126 Y CA 0.308 58.162 58.100 -0.410 0.000 1.299 126 Y CB 0.034 38.289 38.460 -0.342 0.000 1.030 126 Y HN -0.054 nan 8.280 nan 0.000 0.543 127 Y N -2.901 117.465 120.300 0.110 0.000 2.857 127 Y HA 0.471 5.021 4.550 -0.000 0.000 0.318 127 Y C -1.204 174.582 175.900 -0.189 0.000 1.313 127 Y CA -2.036 56.054 58.100 -0.016 0.000 1.117 127 Y CB 0.612 39.202 38.460 0.216 0.000 1.344 127 Y HN -0.412 nan 8.280 nan 0.000 0.525 128 F N 0.680 120.768 119.950 0.229 0.000 2.332 128 F HA 0.354 4.880 4.527 -0.000 0.000 0.368 128 F C -1.301 174.588 175.800 0.149 0.000 1.110 128 F CA -0.930 57.224 58.000 0.256 0.000 1.087 128 F CB 0.481 39.640 39.000 0.264 0.000 1.235 128 F HN 0.211 nan 8.300 nan 0.000 0.470 129 W N 4.539 126.192 121.300 0.588 0.000 2.532 129 W HA 0.736 5.396 4.660 -0.000 0.000 0.321 129 W C -0.168 176.580 176.519 0.382 0.000 1.037 129 W CA -0.711 56.921 57.345 0.478 0.000 1.220 129 W CB 1.376 31.032 29.460 0.327 0.000 1.361 129 W HN 0.154 nan 8.180 nan 0.000 0.468 130 R N 1.519 122.314 120.500 0.491 0.000 2.774 130 R HA 0.299 4.639 4.340 -0.000 0.000 0.272 130 R C -0.977 175.415 176.300 0.153 0.000 1.000 130 R CA -1.043 55.185 56.100 0.212 0.000 0.906 130 R CB 1.587 31.837 30.300 -0.085 0.000 1.227 130 R HN 0.427 nan 8.270 nan 0.000 0.468 131 D N 0.316 120.768 120.400 0.085 0.000 2.341 131 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 131 D C 0.679 176.956 176.300 -0.038 0.000 1.106 131 D CA 0.190 54.245 54.000 0.093 0.000 0.905 131 D CB 1.128 41.963 40.800 0.059 0.000 1.202 131 D HN 0.564 nan 8.370 nan 0.000 0.426 132 G N -0.230 108.604 108.800 0.056 0.000 2.651 132 G HA2 0.507 4.467 3.960 -0.000 0.000 0.260 132 G HA3 0.507 4.467 3.960 -0.000 0.000 0.260 132 G C -0.332 174.478 174.900 -0.150 0.000 1.216 132 G CA -0.255 44.729 45.100 -0.193 0.000 0.913 132 G HN 0.612 nan 8.290 nan 0.000 0.535 133 K N -1.887 118.401 120.400 -0.187 0.000 2.464 133 K HA 0.697 5.017 4.320 -0.000 0.000 0.253 133 K C 0.238 176.784 176.600 -0.091 0.000 0.933 133 K CA 0.695 56.909 56.287 -0.121 0.000 0.801 133 K CB 0.562 32.981 32.500 -0.136 0.000 1.271 133 K HN 2.217 nan 8.250 nan 0.000 0.430 134 D N -0.399 119.957 120.400 -0.072 0.000 2.772 134 D HA 0.206 4.845 4.640 -0.000 0.000 0.233 134 D C 1.914 178.112 176.300 -0.170 0.000 1.143 134 D CA 2.421 56.378 54.000 -0.073 0.000 0.700 134 D CB -1.991 38.797 40.800 -0.020 0.000 1.076 134 D HN 2.538 nan 8.370 nan 0.000 0.430 135 G N -1.936 106.757 108.800 -0.178 0.000 2.184 135 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 135 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 135 G C 0.430 175.095 174.900 -0.392 0.000 0.975 135 G CA 1.483 46.414 45.100 -0.281 0.000 0.642 135 G HN 1.403 nan 8.290 nan 0.000 0.536 136 H N -0.202 118.842 119.070 -0.044 0.000 3.605 136 H HA 0.560 5.116 4.556 0.000 0.000 0.307 136 H C 0.400 175.545 175.328 -0.305 0.000 1.692 136 H CA -0.468 55.531 56.048 -0.081 0.000 1.453 136 H CB 0.067 29.779 29.762 -0.085 0.000 1.511 136 H HN 0.264 nan 8.280 nan 0.000 0.809 137 E N 1.034 121.061 120.200 -0.288 0.000 2.425 137 E HA 0.030 4.380 4.350 -0.000 0.000 0.258 137 E C -1.603 174.529 176.600 -0.780 0.000 1.151 137 E CA -0.973 54.924 56.400 -0.839 0.000 0.958 137 E CB 0.025 29.448 29.700 -0.461 0.000 0.968 137 E HN 0.285 nan 8.360 nan 0.000 0.451 138 P HA -0.160 nan 4.420 nan 0.000 0.216 138 P C -0.539 176.363 177.300 -0.663 0.000 1.150 138 P CA 1.727 64.213 63.100 -1.023 0.000 0.843 138 P CB 0.175 30.785 31.700 -1.816 0.000 0.787 139 N N -3.648 114.686 118.700 -0.610 0.000 3.364 139 N HA 0.040 4.780 4.740 -0.000 0.000 0.294 139 N C -0.356 175.102 175.510 -0.086 0.000 1.562 139 N CA -0.776 52.114 53.050 -0.266 0.000 0.862 139 N CB -0.748 37.581 38.487 -0.263 0.000 1.691 139 N HN -0.277 nan 8.380 nan 0.000 0.572 140 N N -1.611 117.096 118.700 0.011 0.000 2.434 140 N HA 0.007 4.747 4.740 -0.000 0.000 0.196 140 N C -0.659 174.953 175.510 0.169 0.000 1.183 140 N CA -0.081 53.007 53.050 0.063 0.000 0.849 140 N CB -0.585 37.925 38.487 0.039 0.000 0.992 140 N HN 0.417 nan 8.380 nan 0.000 0.460 141 Y N 2.381 122.736 120.300 0.092 0.000 2.802 141 Y HA 0.083 4.633 4.550 -0.000 0.000 0.333 141 Y C -1.778 174.008 175.900 -0.190 0.000 1.244 141 Y CA -2.094 56.015 58.100 0.014 0.000 1.558 141 Y CB -0.265 38.221 38.460 0.043 0.000 1.233 141 Y HN 0.213 nan 8.280 nan 0.000 0.547 142 P HA 0.234 nan 4.420 nan 0.000 0.285 142 P C -0.827 176.071 177.300 -0.671 0.000 1.280 142 P CA -0.696 62.087 63.100 -0.530 0.000 0.862 142 P CB 2.175 33.400 31.700 -0.792 0.000 1.153 143 S N 0.155 115.564 115.700 -0.485 0.000 2.509 143 S HA 0.371 4.841 4.470 -0.000 0.000 0.297 143 S C 0.865 175.332 174.600 -0.222 0.000 1.118 143 S CA -0.556 57.417 58.200 -0.378 0.000 1.074 143 S CB -0.074 63.013 63.200 -0.189 0.000 1.038 143 S HN 0.213 nan 8.310 nan 0.000 0.498 144 F N 2.506 122.360 119.950 -0.160 0.000 2.202 144 F HA 0.041 4.568 4.527 -0.000 0.000 0.301 144 F C 1.115 177.097 175.800 0.303 0.000 1.082 144 F CA 1.116 59.153 58.000 0.061 0.000 1.313 144 F CB -0.119 38.698 39.000 -0.305 0.000 1.024 144 F HN 0.574 nan 8.300 nan 0.000 0.495 145 F N 0.297 120.363 119.950 0.194 0.000 2.668 145 F HA 0.511 5.038 4.527 -0.000 0.000 0.297 145 F C 0.952 176.779 175.800 0.045 0.000 1.124 145 F CA -0.428 57.623 58.000 0.085 0.000 1.353 145 F CB -0.491 38.581 39.000 0.120 0.000 0.992 145 F HN -0.087 nan 8.300 nan 0.000 0.524 146 G N -0.501 108.432 108.800 0.222 0.000 3.226 146 G HA2 0.463 4.423 3.960 -0.000 0.000 0.685 146 G HA3 0.463 4.423 3.960 -0.000 0.000 0.685 146 G C 0.117 175.068 174.900 0.086 0.000 1.207 146 G CA -0.383 44.796 45.100 0.132 0.000 0.877 146 G HN 0.957 nan 8.290 nan 0.000 0.585 147 G N 0.430 109.243 108.800 0.022 0.000 2.601 147 G HA2 0.213 4.173 3.960 -0.000 0.000 0.252 147 G HA3 0.213 4.173 3.960 -0.000 0.000 0.252 147 G C 0.848 175.720 174.900 -0.048 0.000 1.294 147 G CA 0.883 45.981 45.100 -0.002 0.000 0.912 147 G HN 2.393 nan 8.290 nan 0.000 0.574 148 S N -0.290 115.399 115.700 -0.019 0.000 2.603 148 S HA 0.571 5.041 4.470 -0.000 0.000 0.268 148 S C 1.473 175.949 174.600 -0.207 0.000 1.317 148 S CA 0.759 58.925 58.200 -0.056 0.000 1.012 148 S CB 1.119 64.347 63.200 0.047 0.000 0.926 148 S HN 2.114 nan 8.310 nan 0.000 0.539 149 A N 3.080 125.667 122.820 -0.389 0.000 2.278 149 A HA 0.282 4.602 4.320 -0.000 0.000 0.212 149 A C -0.372 176.580 177.584 -1.053 0.000 1.213 149 A CA -0.446 51.039 52.037 -0.919 0.000 0.840 149 A CB -0.234 18.359 19.000 -0.678 0.000 0.866 149 A HN 0.760 nan 8.150 nan 0.000 0.489 150 W N -0.299 120.822 121.300 -0.298 0.000 2.471 150 W HA 0.574 5.234 4.660 0.000 0.000 0.318 150 W C -0.162 176.402 176.519 0.075 0.000 1.034 150 W CA -0.555 56.710 57.345 -0.134 0.000 1.224 150 W CB 1.074 30.413 29.460 -0.203 0.000 1.335 150 W HN 0.143 nan 8.180 nan 0.000 0.452 151 E N 3.640 123.902 120.200 0.104 0.000 2.158 151 E HA 0.258 4.608 4.350 -0.000 0.000 0.271 151 E C -0.653 175.902 176.600 -0.076 0.000 0.911 151 E CA -0.765 55.573 56.400 -0.103 0.000 0.767 151 E CB 1.014 30.326 29.700 -0.647 0.000 1.120 151 E HN 0.274 nan 8.360 nan 0.000 0.405 152 K N 3.192 123.532 120.400 -0.101 0.000 2.270 152 K HA 0.128 4.447 4.320 -0.000 0.000 0.276 152 K C -0.919 175.667 176.600 -0.024 0.000 1.023 152 K CA -0.332 55.688 56.287 -0.446 0.000 0.955 152 K CB 0.674 32.715 32.500 -0.766 0.000 0.975 152 K HN 0.490 nan 8.250 nan 0.000 0.471 153 D N 5.145 125.603 120.400 0.097 0.000 2.462 153 D HA 0.237 4.876 4.640 -0.000 0.000 0.245 153 D C -2.050 174.277 176.300 0.045 0.000 1.122 153 D CA -2.368 51.752 54.000 0.199 0.000 0.864 153 D CB 1.864 42.927 40.800 0.438 0.000 1.098 153 D HN 0.241 nan 8.370 nan 0.000 0.541 154 P HA -0.167 nan 4.420 nan 0.000 0.217 154 P C 1.631 178.912 177.300 -0.032 0.000 1.148 154 P CA 0.590 63.680 63.100 -0.017 0.000 0.834 154 P CB 0.495 32.192 31.700 -0.005 0.000 0.783 155 V N -0.314 119.577 119.914 -0.039 0.000 2.282 155 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 155 V C 2.305 178.338 176.094 -0.101 0.000 1.057 155 V CA 2.785 65.040 62.300 -0.076 0.000 1.032 155 V CB -1.790 29.968 31.823 -0.108 0.000 0.645 155 V HN 0.356 nan 8.190 nan 0.000 0.447 156 T N -4.486 109.994 114.554 -0.124 0.000 2.971 156 T HA 0.399 4.749 4.350 -0.000 0.000 0.252 156 T C 1.534 176.198 174.700 -0.061 0.000 1.022 156 T CA 0.953 62.974 62.100 -0.131 0.000 0.980 156 T CB 0.993 69.708 68.868 -0.255 0.000 1.044 156 T HN 1.007 nan 8.240 nan 0.000 0.501 157 G N 1.296 110.071 108.800 -0.041 0.000 2.179 157 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 157 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 157 G C -0.128 174.769 174.900 -0.004 0.000 0.977 157 G CA 0.267 45.346 45.100 -0.034 0.000 0.641 157 G HN 0.687 nan 8.290 nan 0.000 0.533 158 Q N -1.116 118.737 119.800 0.089 0.000 2.195 158 Q HA 0.667 5.007 4.340 -0.000 0.000 0.250 158 Q C -0.780 175.446 176.000 0.377 0.000 0.988 158 Q CA -0.845 55.125 55.803 0.279 0.000 0.911 158 Q CB 1.129 30.101 28.738 0.390 0.000 1.258 158 Q HN 0.311 nan 8.270 nan 0.000 0.475 159 Y N 0.325 120.860 120.300 0.391 0.000 2.387 159 Y HA 0.286 4.836 4.550 -0.000 0.000 0.336 159 Y C -0.493 175.683 175.900 0.460 0.000 1.067 159 Y CA -0.919 57.403 58.100 0.369 0.000 1.114 159 Y CB 0.791 39.374 38.460 0.205 0.000 1.208 159 Y HN 0.445 nan 8.280 nan 0.000 0.458 160 Y N 1.066 121.537 120.300 0.284 0.000 2.420 160 Y HA 0.699 5.249 4.550 -0.000 0.000 0.334 160 Y C -1.099 174.818 175.900 0.027 0.000 1.094 160 Y CA -1.920 56.058 58.100 -0.204 0.000 1.126 160 Y CB 0.725 38.631 38.460 -0.923 0.000 1.217 160 Y HN 0.523 nan 8.280 nan 0.000 0.462 161 L N 4.501 125.681 121.223 -0.070 0.000 2.350 161 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 161 L C -0.870 175.861 176.870 -0.230 0.000 1.099 161 L CA -0.214 54.213 54.840 -0.688 0.000 0.808 161 L CB 0.200 41.630 42.059 -1.049 0.000 1.149 161 L HN 0.958 nan 8.230 nan 0.000 0.442 162 H N 2.373 121.171 119.070 -0.453 0.000 3.198 162 H HA 0.300 4.856 4.556 -0.000 0.000 0.317 162 H C -0.675 174.499 175.328 -0.257 0.000 1.178 162 H CA -0.659 55.250 56.048 -0.231 0.000 1.609 162 H CB -0.320 29.412 29.762 -0.050 0.000 1.819 162 H HN 0.481 nan 8.280 nan 0.000 0.533 163 Y N 1.982 122.037 120.300 -0.408 0.000 2.274 163 Y HA -0.057 4.493 4.550 -0.000 0.000 0.290 163 Y C 0.461 175.954 175.900 -0.678 0.000 1.145 163 Y CA 0.780 58.505 58.100 -0.625 0.000 1.203 163 Y CB -0.389 37.696 38.460 -0.624 0.000 0.984 163 Y HN 0.507 nan 8.280 nan 0.000 0.533 164 F N -1.302 118.602 119.950 -0.077 0.000 2.773 164 F HA 0.536 5.063 4.527 -0.000 0.000 0.189 164 F C 1.638 177.410 175.800 -0.047 0.000 1.212 164 F CA -0.774 56.971 58.000 -0.426 0.000 0.950 164 F CB -0.924 37.597 39.000 -0.798 0.000 2.157 164 F HN -0.245 nan 8.300 nan 0.000 0.590 165 G N -0.013 108.961 108.800 0.289 0.000 2.484 165 G HA2 0.112 4.072 3.960 -0.000 0.000 0.235 165 G HA3 0.112 4.072 3.960 -0.000 0.000 0.235 165 G C 0.593 175.544 174.900 0.085 0.000 1.282 165 G CA -0.406 44.928 45.100 0.389 0.000 0.857 165 G HN 0.462 nan 8.290 nan 0.000 0.571 166 R N 0.250 120.649 120.500 -0.169 0.000 2.200 166 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 166 R C 1.833 178.025 176.300 -0.180 0.000 1.127 166 R CA 1.306 57.030 56.100 -0.626 0.000 0.989 166 R CB 0.040 30.142 30.300 -0.329 0.000 0.869 166 R HN 0.647 nan 8.270 nan 0.000 0.459 167 Q N -0.012 119.760 119.800 -0.047 0.000 2.212 167 Q HA 0.068 4.408 4.340 -0.000 0.000 0.213 167 Q C -0.217 175.761 176.000 -0.037 0.000 0.874 167 Q CA 0.120 55.903 55.803 -0.034 0.000 0.965 167 Q CB 0.918 29.662 28.738 0.009 0.000 1.074 167 Q HN 0.232 nan 8.270 nan 0.000 0.473 168 Q N 1.779 121.578 119.800 -0.002 0.000 3.075 168 Q HA 0.218 4.558 4.340 -0.000 0.000 0.318 168 Q C -2.496 173.556 176.000 0.086 0.000 0.907 168 Q CA -1.833 54.016 55.803 0.077 0.000 0.882 168 Q CB 1.250 30.041 28.738 0.087 0.000 1.386 168 Q HN 0.120 nan 8.270 nan 0.000 0.408 169 P HA -0.034 nan 4.420 nan 0.000 0.268 169 P C -0.611 176.854 177.300 0.274 0.000 1.204 169 P CA 0.046 63.106 63.100 -0.067 0.000 0.768 169 P CB 0.907 32.026 31.700 -0.968 0.000 0.842 170 D N 2.120 122.698 120.400 0.297 0.000 2.389 170 D HA 0.176 4.816 4.640 -0.000 0.000 0.247 170 D C 0.381 176.906 176.300 0.374 0.000 1.128 170 D CA 0.202 54.411 54.000 0.349 0.000 0.884 170 D CB 0.188 41.077 40.800 0.148 0.000 1.194 170 D HN 0.247 nan 8.370 nan 0.000 0.441 171 L N 2.518 123.886 121.223 0.242 0.000 2.371 171 L HA 0.180 4.520 4.340 -0.000 0.000 0.272 171 L C 0.782 177.597 176.870 -0.092 0.000 1.124 171 L CA -0.478 54.285 54.840 -0.129 0.000 0.816 171 L CB 0.494 42.449 42.059 -0.174 0.000 1.129 171 L HN 0.325 nan 8.230 nan 0.000 0.448 172 N N 1.886 120.284 118.700 -0.503 0.000 2.555 172 N HA 0.014 4.754 4.740 -0.000 0.000 0.244 172 N C 0.293 175.578 175.510 -0.376 0.000 1.114 172 N CA -0.118 52.544 53.050 -0.648 0.000 0.963 172 N CB 0.313 38.245 38.487 -0.925 0.000 1.276 172 N HN 0.470 nan 8.380 nan 0.000 0.510 173 W N 1.206 122.350 121.300 -0.259 0.000 2.611 173 W HA 0.003 4.663 4.660 -0.000 0.000 0.251 173 W C 1.118 177.307 176.519 -0.551 0.000 1.265 173 W CA 0.099 57.157 57.345 -0.478 0.000 1.295 173 W CB 0.335 29.512 29.460 -0.470 0.000 1.129 173 W HN 0.460 nan 8.180 nan 0.000 0.630 174 D N -1.259 119.157 120.400 0.027 0.000 2.363 174 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 174 D C 0.302 176.576 176.300 -0.044 0.000 0.994 174 D CA 0.868 54.948 54.000 0.134 0.000 0.890 174 D CB -0.160 40.798 40.800 0.265 0.000 0.906 174 D HN -0.065 nan 8.370 nan 0.000 0.530 175 T N 2.053 116.472 114.554 -0.225 0.000 2.738 175 T HA 0.181 4.531 4.350 -0.000 0.000 0.298 175 T C -1.701 172.773 174.700 -0.375 0.000 0.962 175 T CA -1.536 60.401 62.100 -0.271 0.000 0.972 175 T CB 2.222 70.889 68.868 -0.335 0.000 0.928 175 T HN -0.159 nan 8.240 nan 0.000 0.474 176 P HA -0.191 nan 4.420 nan 0.000 0.216 176 P C 1.826 178.910 177.300 -0.361 0.000 1.157 176 P CA 1.456 64.407 63.100 -0.248 0.000 0.880 176 P CB 0.198 31.825 31.700 -0.122 0.000 0.791 177 K N 0.227 120.414 120.400 -0.355 0.000 2.147 177 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 177 K C 2.003 178.178 176.600 -0.708 0.000 1.049 177 K CA 1.648 57.698 56.287 -0.395 0.000 0.936 177 K CB -1.750 30.596 32.500 -0.257 0.000 0.722 177 K HN 0.097 nan 8.250 nan 0.000 0.446 178 L N 0.625 121.246 121.223 -1.004 0.000 2.072 178 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 178 L C 2.381 178.543 176.870 -1.180 0.000 1.079 178 L CA 1.721 55.710 54.840 -1.419 0.000 0.752 178 L CB -0.653 40.545 42.059 -1.435 0.000 0.906 178 L HN 0.416 nan 8.230 nan 0.000 0.436 179 R N -0.189 119.661 120.500 -1.084 0.000 2.091 179 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 179 R C 1.980 177.438 176.300 -1.404 0.000 1.136 179 R CA 1.325 56.616 56.100 -1.348 0.000 0.959 179 R CB -0.224 29.486 30.300 -0.984 0.000 0.856 179 R HN 0.434 nan 8.270 nan 0.000 0.437 180 E N 0.800 120.508 120.200 -0.820 0.000 2.110 180 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 180 E C 1.895 178.274 176.600 -0.369 0.000 0.988 180 E CA 0.970 57.095 56.400 -0.458 0.000 0.804 180 E CB -0.031 29.534 29.700 -0.226 0.000 0.745 180 E HN 0.395 nan 8.360 nan 0.000 0.458 181 E N 0.512 120.434 120.200 -0.463 0.000 2.072 181 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 181 E C 2.382 178.854 176.600 -0.214 0.000 0.985 181 E CA 0.529 56.770 56.400 -0.264 0.000 0.801 181 E CB -0.119 29.334 29.700 -0.413 0.000 0.750 181 E HN 0.283 nan 8.360 nan 0.000 0.452 182 L N 0.130 121.059 121.223 -0.490 0.000 2.056 182 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 182 L C 2.534 179.338 176.870 -0.110 0.000 1.078 182 L CA 1.041 55.640 54.840 -0.401 0.000 0.749 182 L CB -0.613 41.012 42.059 -0.723 0.000 0.901 182 L HN 0.121 nan 8.230 nan 0.000 0.433 183 Y N 0.185 120.402 120.300 -0.140 0.000 2.242 183 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 183 Y C 2.685 178.587 175.900 0.004 0.000 1.137 183 Y CA 0.466 58.539 58.100 -0.044 0.000 1.181 183 Y CB -1.272 37.168 38.460 -0.033 0.000 0.989 183 Y HN 0.105 nan 8.280 nan 0.000 0.527 184 A N -0.140 122.769 122.820 0.148 0.000 1.969 184 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 184 A C 2.394 180.069 177.584 0.151 0.000 1.169 184 A CA 1.569 53.686 52.037 0.134 0.000 0.635 184 A CB -0.653 18.402 19.000 0.092 0.000 0.810 184 A HN 0.373 nan 8.150 nan 0.000 0.445 185 M N -0.040 119.636 119.600 0.127 0.000 2.099 185 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 185 M C 1.957 178.438 176.300 0.303 0.000 1.067 185 M CA 1.690 57.091 55.300 0.169 0.000 1.124 185 M CB -0.823 31.806 32.600 0.049 0.000 1.353 185 M HN 0.430 nan 8.290 nan 0.000 0.410 186 L N -0.290 121.072 121.223 0.231 0.000 2.042 186 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 186 L C 2.621 179.583 176.870 0.153 0.000 1.076 186 L CA 1.304 56.289 54.840 0.242 0.000 0.749 186 L CB -0.738 41.416 42.059 0.158 0.000 0.893 186 L HN 0.337 nan 8.230 nan 0.000 0.432 187 R N -0.694 119.871 120.500 0.108 0.000 2.096 187 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 187 R C 2.287 178.642 176.300 0.091 0.000 1.127 187 R CA 1.612 57.752 56.100 0.066 0.000 0.968 187 R CB -0.555 29.858 30.300 0.189 0.000 0.861 187 R HN 0.227 nan 8.270 nan 0.000 0.440 188 F N 0.081 120.020 119.950 -0.019 0.000 2.126 188 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 188 F C 1.452 177.099 175.800 -0.255 0.000 1.096 188 F CA 1.473 59.374 58.000 -0.166 0.000 1.255 188 F CB -0.199 38.635 39.000 -0.276 0.000 0.997 188 F HN -0.010 nan 8.300 nan 0.000 0.479 189 W N 0.059 121.401 121.300 0.070 0.000 2.494 189 W HA 0.073 4.733 4.660 -0.000 0.000 0.286 189 W C 2.199 178.699 176.519 -0.033 0.000 1.218 189 W CA 0.556 57.905 57.345 0.007 0.000 1.313 189 W CB -0.515 29.070 29.460 0.209 0.000 1.105 189 W HN -0.075 nan 8.180 nan 0.000 0.561 190 L N 0.105 121.364 121.223 0.060 0.000 2.141 190 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 190 L C 1.658 178.483 176.870 -0.074 0.000 1.094 190 L CA 1.028 55.760 54.840 -0.180 0.000 0.763 190 L CB -0.616 40.906 42.059 -0.895 0.000 0.908 190 L HN -0.086 nan 8.230 nan 0.000 0.437 191 D N 0.180 120.564 120.400 -0.026 0.000 2.310 191 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 191 D C 1.971 178.277 176.300 0.010 0.000 0.965 191 D CA 0.947 54.996 54.000 0.082 0.000 0.879 191 D CB 0.063 40.883 40.800 0.033 0.000 0.921 191 D HN 0.275 nan 8.370 nan 0.000 0.510 192 K N -0.652 119.725 120.400 -0.039 0.000 2.432 192 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 192 K C 1.201 177.847 176.600 0.076 0.000 1.038 192 K CA 0.619 56.904 56.287 -0.003 0.000 0.986 192 K CB 0.552 33.079 32.500 0.045 0.000 0.782 192 K HN 0.155 nan 8.250 nan 0.000 0.485 193 G N 1.318 110.183 108.800 0.108 0.000 2.184 193 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.206 193 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.206 193 G C 0.195 175.175 174.900 0.134 0.000 0.995 193 G CA -0.029 45.138 45.100 0.112 0.000 0.651 193 G HN 0.192 nan 8.290 nan 0.000 0.511 194 V N -0.247 119.784 119.914 0.194 0.000 2.720 194 V HA 0.496 4.616 4.120 -0.000 0.000 0.307 194 V C 1.271 177.496 176.094 0.219 0.000 1.071 194 V CA 1.369 63.804 62.300 0.227 0.000 1.199 194 V CB 1.135 33.154 31.823 0.325 0.000 0.900 194 V HN 0.445 nan 8.190 nan 0.000 0.494 195 S N 3.093 118.923 115.700 0.218 0.000 2.528 195 S HA 0.440 4.910 4.470 -0.000 0.000 0.219 195 S C 0.764 175.608 174.600 0.407 0.000 0.985 195 S CA 0.526 58.890 58.200 0.274 0.000 0.914 195 S CB 0.247 63.545 63.200 0.163 0.000 0.776 195 S HN 1.494 nan 8.310 nan 0.000 0.526 196 G N 0.649 109.672 108.800 0.372 0.000 2.646 196 G HA2 0.659 4.618 3.960 -0.000 0.000 0.291 196 G HA3 0.659 4.618 3.960 -0.000 0.000 0.291 196 G C -1.635 173.428 174.900 0.271 0.000 1.445 196 G CA -0.797 44.513 45.100 0.349 0.000 0.814 196 G HN 0.119 nan 8.290 nan 0.000 0.495 197 M N 1.319 121.027 119.600 0.180 0.000 2.326 197 M HA 0.453 4.933 4.480 -0.000 0.000 0.292 197 M C -0.583 175.706 176.300 -0.018 0.000 1.081 197 M CA -0.878 54.461 55.300 0.064 0.000 0.919 197 M CB 2.954 35.586 32.600 0.053 0.000 1.634 197 M HN 0.436 nan 8.290 nan 0.000 0.451 198 R N 3.067 123.474 120.500 -0.155 0.000 2.265 198 R HA 0.459 4.799 4.340 -0.000 0.000 0.328 198 R C -1.947 174.254 176.300 -0.165 0.000 0.969 198 R CA -0.230 55.750 56.100 -0.199 0.000 0.832 198 R CB 0.580 30.431 30.300 -0.749 0.000 1.139 198 R HN 0.551 nan 8.270 nan 0.000 0.457 199 F N 2.940 122.900 119.950 0.017 0.000 2.390 199 F HA 0.143 4.669 4.527 -0.000 0.000 0.361 199 F C 0.807 176.669 175.800 0.103 0.000 1.124 199 F CA -0.601 57.476 58.000 0.128 0.000 1.149 199 F CB 0.726 39.835 39.000 0.183 0.000 1.160 199 F HN 0.481 nan 8.300 nan 0.000 0.501 200 D N 1.890 122.442 120.400 0.254 0.000 2.458 200 D HA -0.032 4.608 4.640 -0.000 0.000 0.243 200 D C 0.840 177.252 176.300 0.187 0.000 1.146 200 D CA 0.736 54.859 54.000 0.205 0.000 0.877 200 D CB 0.685 41.652 40.800 0.278 0.000 1.176 200 D HN 0.659 nan 8.370 nan 0.000 0.461 201 T N 2.723 117.321 114.554 0.075 0.000 3.398 201 T HA -0.226 4.123 4.350 -0.000 0.000 0.408 201 T C 1.113 175.812 174.700 -0.003 0.000 0.769 201 T CA 0.689 62.841 62.100 0.086 0.000 2.018 201 T CB -1.172 67.810 68.868 0.190 0.000 1.703 201 T HN 0.370 nan 8.240 nan 0.000 0.639 202 V N 1.466 121.313 119.914 -0.113 0.000 2.867 202 V HA 0.116 4.236 4.120 -0.000 0.000 0.260 202 V C 2.309 178.036 176.094 -0.612 0.000 1.099 202 V CA 2.424 64.400 62.300 -0.539 0.000 1.122 202 V CB -0.722 31.003 31.823 -0.163 0.000 0.708 202 V HN 0.928 nan 8.190 nan 0.000 0.490 203 A N -0.486 122.207 122.820 -0.211 0.000 2.251 203 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 203 A C 1.966 179.568 177.584 0.030 0.000 1.187 203 A CA 1.044 53.072 52.037 -0.015 0.000 0.823 203 A CB -0.400 18.611 19.000 0.019 0.000 0.846 203 A HN 0.672 nan 8.150 nan 0.000 0.486 204 T N -4.562 110.017 114.554 0.042 0.000 3.054 204 T HA 0.124 4.474 4.350 -0.000 0.000 0.255 204 T C 1.242 176.147 174.700 0.341 0.000 1.035 204 T CA -0.090 62.169 62.100 0.266 0.000 0.941 204 T CB -0.545 68.596 68.868 0.454 0.000 1.026 204 T HN 0.270 nan 8.240 nan 0.000 0.533 205 Y N 2.563 122.908 120.300 0.075 0.000 2.193 205 Y HA 0.122 4.672 4.550 -0.000 0.000 0.285 205 Y C 1.782 177.735 175.900 0.088 0.000 1.166 205 Y CA -0.264 57.755 58.100 -0.136 0.000 1.181 205 Y CB -0.973 37.006 38.460 -0.801 0.000 0.976 205 Y HN 0.315 nan 8.280 nan 0.000 0.520 206 S N 0.794 116.674 115.700 0.299 0.000 2.475 206 S HA 0.397 4.867 4.470 -0.000 0.000 0.281 206 S C -0.322 174.441 174.600 0.270 0.000 1.198 206 S CA -0.724 57.672 58.200 0.327 0.000 1.063 206 S CB 0.266 63.550 63.200 0.141 0.000 0.972 206 S HN -0.013 nan 8.310 nan 0.000 0.486 207 K N 2.715 123.275 120.400 0.266 0.000 2.110 207 K HA 0.436 4.756 4.320 -0.000 0.000 0.263 207 K C -0.157 176.464 176.600 0.035 0.000 0.975 207 K CA -0.353 56.017 56.287 0.139 0.000 0.895 207 K CB 1.114 33.550 32.500 -0.106 0.000 1.060 207 K HN 0.519 nan 8.250 nan 0.000 0.448 208 T N 4.693 119.272 114.554 0.043 0.000 2.779 208 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 208 T C -2.324 172.213 174.700 -0.272 0.000 0.938 208 T CA -1.171 60.920 62.100 -0.016 0.000 1.119 208 T CB 0.492 69.441 68.868 0.134 0.000 0.891 208 T HN 0.259 nan 8.240 nan 0.000 0.526 209 P HA 0.231 nan 4.420 nan 0.000 0.264 209 P C 1.082 178.268 177.300 -0.190 0.000 1.193 209 P CA 0.692 63.669 63.100 -0.205 0.000 0.763 209 P CB 0.375 32.038 31.700 -0.062 0.000 0.810 210 G N 2.901 111.569 108.800 -0.220 0.000 2.225 210 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.254 210 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.254 210 G C 0.416 175.331 174.900 0.025 0.000 0.988 210 G CA -0.215 44.848 45.100 -0.061 0.000 0.625 210 G HN 0.422 nan 8.290 nan 0.000 0.527 211 F N 0.405 120.382 119.950 0.045 0.000 2.970 211 F HA -0.138 4.389 4.527 -0.000 0.000 0.251 211 F C -0.560 175.189 175.800 -0.086 0.000 0.993 211 F CA 0.530 58.517 58.000 -0.021 0.000 0.869 211 F CB -1.850 37.115 39.000 -0.057 0.000 0.762 211 F HN 0.391 nan 8.300 nan 0.000 0.817 212 P HA 0.036 nan 4.420 nan 0.000 0.270 212 P C 0.377 177.736 177.300 0.099 0.000 1.223 212 P CA -0.125 63.024 63.100 0.082 0.000 0.785 212 P CB 0.862 32.611 31.700 0.081 0.000 0.923 213 D N 0.519 120.957 120.400 0.063 0.000 2.400 213 D HA 0.112 4.752 4.640 -0.000 0.000 0.238 213 D C 0.499 176.896 176.300 0.161 0.000 1.157 213 D CA 0.255 54.309 54.000 0.090 0.000 0.889 213 D CB 0.485 41.312 40.800 0.045 0.000 1.199 213 D HN 0.246 nan 8.370 nan 0.000 0.436 214 L N 1.147 122.494 121.223 0.206 0.000 2.395 214 L HA 0.165 4.504 4.340 -0.000 0.000 0.269 214 L C 1.452 178.374 176.870 0.087 0.000 1.133 214 L CA -0.599 54.342 54.840 0.167 0.000 0.812 214 L CB 0.927 43.078 42.059 0.153 0.000 1.125 214 L HN 0.454 nan 8.230 nan 0.000 0.452 215 T N -0.810 113.780 114.554 0.061 0.000 2.748 215 T HA 0.138 4.488 4.350 -0.000 0.000 0.304 215 T C -1.840 172.874 174.700 0.023 0.000 1.041 215 T CA -1.315 60.807 62.100 0.035 0.000 1.033 215 T CB 0.790 69.673 68.868 0.025 0.000 0.995 215 T HN 0.368 nan 8.240 nan 0.000 0.536 216 P HA 0.022 nan 4.420 nan 0.000 0.216 216 P C 1.866 179.167 177.300 0.001 0.000 1.150 216 P CA 1.918 65.022 63.100 0.006 0.000 0.837 216 P CB -0.309 31.391 31.700 0.001 0.000 0.786 217 E N 0.396 120.594 120.200 -0.003 0.000 2.028 217 E HA -0.259 4.091 4.350 -0.000 0.000 0.191 217 E C 2.009 178.597 176.600 -0.021 0.000 0.988 217 E CA 1.479 57.871 56.400 -0.014 0.000 0.799 217 E CB -1.736 27.955 29.700 -0.015 0.000 0.755 217 E HN 0.404 nan 8.360 nan 0.000 0.447 218 Q N -1.256 118.535 119.800 -0.015 0.000 2.135 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 218 Q C 2.336 178.318 176.000 -0.030 0.000 0.981 218 Q CA 1.746 57.530 55.803 -0.032 0.000 0.856 218 Q CB -0.217 28.515 28.738 -0.010 0.000 0.902 218 Q HN 0.491 nan 8.270 nan 0.000 0.425 219 M N 0.921 120.523 119.600 0.003 0.000 2.267 219 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 219 M C 1.403 177.746 176.300 0.072 0.000 1.063 219 M CA 1.692 57.009 55.300 0.030 0.000 1.090 219 M CB 0.115 32.727 32.600 0.019 0.000 1.392 219 M HN -0.047 nan 8.290 nan 0.000 0.422 220 K N -1.087 119.324 120.400 0.019 0.000 2.167 220 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 220 K C 0.687 177.250 176.600 -0.062 0.000 1.052 220 K CA 0.991 57.282 56.287 0.005 0.000 0.956 220 K CB -0.118 32.368 32.500 -0.023 0.000 0.735 220 K HN 0.430 nan 8.250 nan 0.000 0.451 221 N N 0.488 119.116 118.700 -0.121 0.000 2.757 221 N HA 0.063 4.803 4.740 -0.000 0.000 0.296 221 N C 0.400 175.698 175.510 -0.353 0.000 1.874 221 N CA -0.194 52.701 53.050 -0.257 0.000 0.885 221 N CB 0.310 38.686 38.487 -0.186 0.000 1.242 221 N HN 0.005 nan 8.380 nan 0.000 0.488 222 F N 0.048 119.761 119.950 -0.394 0.000 2.269 222 F HA 0.142 4.669 4.527 0.000 0.000 0.301 222 F C 2.044 177.278 175.800 -0.944 0.000 1.082 222 F CA 0.682 58.243 58.000 -0.733 0.000 1.360 222 F CB -0.526 37.934 39.000 -0.900 0.000 1.041 222 F HN 0.124 nan 8.300 nan 0.000 0.512 223 A N 0.586 122.769 122.820 -1.061 0.000 1.940 223 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 223 A C 2.370 179.819 177.584 -0.224 0.000 1.176 223 A CA 1.873 53.638 52.037 -0.454 0.000 0.631 223 A CB -0.982 17.952 19.000 -0.110 0.000 0.814 223 A HN 0.626 nan 8.150 nan 0.000 0.446 224 E N -0.304 119.734 120.200 -0.269 0.000 2.072 224 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 224 E C 2.132 178.668 176.600 -0.107 0.000 0.982 224 E CA 0.830 57.140 56.400 -0.149 0.000 0.803 224 E CB -0.253 29.362 29.700 -0.142 0.000 0.755 224 E HN 0.520 nan 8.360 nan 0.000 0.453 225 A N 0.449 123.159 122.820 -0.183 0.000 1.940 225 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 225 A C 1.718 179.316 177.584 0.023 0.000 1.176 225 A CA 1.246 53.224 52.037 -0.098 0.000 0.631 225 A CB -0.818 18.089 19.000 -0.155 0.000 0.814 225 A HN 0.412 nan 8.150 nan 0.000 0.446 226 Y N 1.020 121.220 120.300 -0.165 0.000 2.574 226 Y HA -0.057 4.492 4.550 -0.000 0.000 0.294 226 Y C 2.586 178.485 175.900 -0.002 0.000 1.142 226 Y CA 1.016 58.996 58.100 -0.199 0.000 1.314 226 Y CB -1.271 36.853 38.460 -0.560 0.000 0.991 226 Y HN 0.514 nan 8.280 nan 0.000 0.555 227 T N -3.724 110.925 114.554 0.158 0.000 3.086 227 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 227 T C 0.913 175.691 174.700 0.130 0.000 1.074 227 T CA -0.001 62.188 62.100 0.148 0.000 0.988 227 T CB 0.051 68.990 68.868 0.118 0.000 0.988 227 T HN 0.012 nan 8.240 nan 0.000 0.530 228 Q N 1.768 121.639 119.800 0.119 0.000 2.242 228 Q HA 0.342 4.681 4.340 -0.000 0.000 0.246 228 Q C 0.813 176.867 176.000 0.090 0.000 0.883 228 Q CA -0.277 55.583 55.803 0.096 0.000 0.984 228 Q CB 0.303 29.088 28.738 0.080 0.000 1.096 228 Q HN 0.644 nan 8.270 nan 0.000 0.452 229 G N 2.658 111.516 108.800 0.095 0.000 2.398 229 G HA2 0.149 4.109 3.960 -0.000 0.000 0.246 229 G HA3 0.149 4.109 3.960 -0.000 0.000 0.246 229 G C -1.318 173.589 174.900 0.012 0.000 1.289 229 G CA -0.713 44.434 45.100 0.080 0.000 0.869 229 G HN 0.071 nan 8.290 nan 0.000 0.543 230 P HA -0.068 nan 4.420 nan 0.000 0.226 230 P C 0.629 177.862 177.300 -0.111 0.000 1.153 230 P CA 0.750 63.830 63.100 -0.033 0.000 0.777 230 P CB 0.485 32.177 31.700 -0.014 0.000 0.794 231 N N -0.710 117.868 118.700 -0.204 0.000 2.214 231 N HA 0.047 4.787 4.740 -0.000 0.000 0.214 231 N C 1.471 176.596 175.510 -0.641 0.000 1.132 231 N CA -0.248 52.505 53.050 -0.495 0.000 0.856 231 N CB 0.019 38.030 38.487 -0.793 0.000 1.020 231 N HN 0.050 nan 8.380 nan 0.000 0.509 232 L N 1.809 122.826 121.223 -0.344 0.000 1.956 232 L HA -0.209 4.130 4.340 -0.000 0.000 0.216 232 L C 2.034 178.656 176.870 -0.413 0.000 1.073 232 L CA 2.063 56.697 54.840 -0.343 0.000 0.762 232 L CB -0.811 40.995 42.059 -0.421 0.000 0.889 232 L HN 0.274 nan 8.230 nan 0.000 0.433 233 H N -0.679 118.254 119.070 -0.227 0.000 2.491 233 H HA -0.093 4.463 4.556 -0.000 0.000 0.290 233 H C 2.342 177.598 175.328 -0.119 0.000 1.050 233 H CA 1.318 57.234 56.048 -0.220 0.000 1.309 233 H CB -0.139 29.463 29.762 -0.267 0.000 1.392 233 H HN 0.427 nan 8.280 nan 0.000 0.554 234 R N 0.427 120.882 120.500 -0.075 0.000 2.066 234 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 234 R C 1.610 177.992 176.300 0.136 0.000 1.131 234 R CA 1.155 57.238 56.100 -0.029 0.000 0.955 234 R CB -0.098 30.113 30.300 -0.149 0.000 0.851 234 R HN 0.174 nan 8.270 nan 0.000 0.432 235 Y N 1.096 121.463 120.300 0.111 0.000 2.200 235 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 235 Y C 2.242 178.270 175.900 0.214 0.000 1.137 235 Y CA 0.720 58.953 58.100 0.222 0.000 1.163 235 Y CB -0.668 37.892 38.460 0.167 0.000 0.988 235 Y HN 0.041 nan 8.280 nan 0.000 0.518 236 L N -0.544 120.814 121.223 0.226 0.000 2.056 236 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 236 L C 2.382 179.365 176.870 0.188 0.000 1.078 236 L CA 1.398 56.339 54.840 0.167 0.000 0.749 236 L CB -0.680 41.399 42.059 0.033 0.000 0.901 236 L HN 0.228 nan 8.230 nan 0.000 0.433 237 Q N -0.287 119.599 119.800 0.142 0.000 2.124 237 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 237 Q C 2.151 178.233 176.000 0.136 0.000 0.977 237 Q CA 1.606 57.470 55.803 0.102 0.000 0.850 237 Q CB -0.010 28.757 28.738 0.048 0.000 0.901 237 Q HN 0.469 nan 8.270 nan 0.000 0.429 238 E N 0.516 120.832 120.200 0.193 0.000 2.107 238 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 238 E C 2.005 178.610 176.600 0.007 0.000 0.982 238 E CA 0.715 57.213 56.400 0.164 0.000 0.809 238 E CB -0.022 29.859 29.700 0.302 0.000 0.756 238 E HN 0.313 nan 8.360 nan 0.000 0.459 239 M N -0.208 119.445 119.600 0.087 0.000 2.117 239 M HA -0.221 4.259 4.480 -0.000 0.000 0.262 239 M C 2.153 178.469 176.300 0.027 0.000 1.065 239 M CA 2.056 57.273 55.300 -0.138 0.000 1.114 239 M CB -0.263 32.570 32.600 0.390 0.000 1.361 239 M HN 0.246 nan 8.290 nan 0.000 0.408 240 H N -0.374 118.780 119.070 0.139 0.000 2.357 240 H HA -0.151 4.405 4.556 -0.000 0.000 0.301 240 H C 2.148 177.501 175.328 0.043 0.000 1.082 240 H CA 1.860 58.043 56.048 0.225 0.000 1.342 240 H CB 0.093 29.950 29.762 0.158 0.000 1.389 240 H HN 0.448 nan 8.280 nan 0.000 0.511 241 E N 0.955 121.275 120.200 0.200 0.000 2.072 241 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 241 E C 1.569 178.145 176.600 -0.039 0.000 0.985 241 E CA 1.118 57.560 56.400 0.070 0.000 0.801 241 E CB 0.113 29.841 29.700 0.046 0.000 0.750 241 E HN 0.532 nan 8.360 nan 0.000 0.452 242 K N -0.299 120.046 120.400 -0.092 0.000 2.400 242 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 242 K C 1.717 178.314 176.600 -0.004 0.000 1.033 242 K CA 0.260 56.515 56.287 -0.055 0.000 1.021 242 K CB 0.959 33.341 32.500 -0.196 0.000 0.808 242 K HN 0.011 nan 8.250 nan 0.000 0.505 243 V N -0.716 119.104 119.914 -0.157 0.000 3.444 243 V HA -0.010 4.110 4.120 -0.000 0.000 0.210 243 V C 1.320 177.329 176.094 -0.142 0.000 1.217 243 V CA 0.268 62.463 62.300 -0.174 0.000 1.302 243 V CB -0.428 31.042 31.823 -0.588 0.000 1.341 243 V HN -0.023 nan 8.190 nan 0.000 0.522 244 F N 1.582 121.565 119.950 0.055 0.000 2.333 244 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 244 F C 2.040 177.778 175.800 -0.103 0.000 1.083 244 F CA 1.704 59.684 58.000 -0.033 0.000 1.395 244 F CB -0.597 38.217 39.000 -0.310 0.000 1.056 244 F HN 0.295 nan 8.300 nan 0.000 0.529 245 D N -1.197 119.159 120.400 -0.073 0.000 2.310 245 D HA -0.150 4.489 4.640 -0.000 0.000 0.212 245 D C 1.694 177.873 176.300 -0.202 0.000 0.965 245 D CA 1.061 55.001 54.000 -0.100 0.000 0.879 245 D CB -0.127 40.569 40.800 -0.174 0.000 0.921 245 D HN 0.259 nan 8.370 nan 0.000 0.510 246 H N -1.596 117.496 119.070 0.036 0.000 2.551 246 H HA 0.184 4.740 4.556 -0.000 0.000 0.271 246 H C -0.319 174.761 175.328 -0.413 0.000 0.984 246 H CA 0.196 56.134 56.048 -0.184 0.000 1.164 246 H CB 0.073 29.656 29.762 -0.298 0.000 1.437 246 H HN 0.213 nan 8.280 nan 0.000 0.550 247 Y N -0.573 119.826 120.300 0.166 0.000 2.790 247 Y HA 0.237 4.787 4.550 -0.000 0.000 0.323 247 Y C 0.310 176.330 175.900 0.200 0.000 1.230 247 Y CA -1.121 57.089 58.100 0.182 0.000 1.121 247 Y CB 1.249 39.829 38.460 0.199 0.000 1.328 247 Y HN -0.169 nan 8.280 nan 0.000 0.514 248 D N 0.181 120.829 120.400 0.413 0.000 2.696 248 D HA 0.438 5.077 4.640 -0.000 0.000 0.269 248 D C -0.945 175.595 176.300 0.399 0.000 1.319 248 D CA -0.010 54.201 54.000 0.351 0.000 0.826 248 D CB -0.102 40.870 40.800 0.287 0.000 1.086 248 D HN 0.611 nan 8.370 nan 0.000 0.481 249 A N -0.049 123.015 122.820 0.408 0.000 2.304 249 A HA 0.589 4.909 4.320 -0.000 0.000 0.301 249 A C -0.209 177.516 177.584 0.235 0.000 1.132 249 A CA -0.622 51.642 52.037 0.378 0.000 0.819 249 A CB 1.324 20.553 19.000 0.383 0.000 1.094 249 A HN 0.177 nan 8.150 nan 0.000 0.492 250 V N 2.440 122.453 119.914 0.165 0.000 2.607 250 V HA 0.611 4.731 4.120 -0.000 0.000 0.289 250 V C 0.445 176.400 176.094 -0.230 0.000 1.053 250 V CA 0.493 62.640 62.300 -0.254 0.000 0.996 250 V CB 1.441 32.901 31.823 -0.605 0.000 0.995 250 V HN 1.171 nan 8.190 nan 0.000 0.476 251 T N 4.264 118.580 114.554 -0.397 0.000 2.797 251 T HA 0.836 5.186 4.350 -0.000 0.000 0.279 251 T C -0.478 174.073 174.700 -0.249 0.000 0.991 251 T CA -0.196 61.734 62.100 -0.284 0.000 0.979 251 T CB 1.567 70.125 68.868 -0.516 0.000 0.943 251 T HN 1.390 nan 8.240 nan 0.000 0.444 252 A N 2.279 125.056 122.820 -0.071 0.000 2.353 252 A HA 0.834 5.154 4.320 -0.000 0.000 0.299 252 A C 0.243 177.897 177.584 0.116 0.000 1.089 252 A CA -0.762 51.203 52.037 -0.120 0.000 0.736 252 A CB 1.057 19.887 19.000 -0.284 0.000 1.195 252 A HN 1.296 nan 8.150 nan 0.000 0.447 253 G N 0.849 109.694 108.800 0.075 0.000 2.348 253 G HA2 0.497 4.456 3.960 -0.000 0.000 0.312 253 G HA3 0.497 4.456 3.960 -0.000 0.000 0.312 253 G C -0.275 174.747 174.900 0.204 0.000 1.126 253 G CA -0.350 44.839 45.100 0.148 0.000 0.865 253 G HN 0.760 nan 8.290 nan 0.000 0.474 254 E N 2.936 123.246 120.200 0.184 0.000 1.893 254 E HA 0.125 4.474 4.350 -0.000 0.000 0.269 254 E C 0.050 176.767 176.600 0.194 0.000 1.129 254 E CA -0.394 56.146 56.400 0.234 0.000 0.904 254 E CB 0.162 29.924 29.700 0.104 0.000 1.077 254 E HN 0.388 nan 8.360 nan 0.000 0.407 255 I N 6.054 126.716 120.570 0.152 0.000 2.212 255 I HA 0.084 4.254 4.170 -0.000 0.000 0.285 255 I C 0.002 176.198 176.117 0.132 0.000 1.116 255 I CA -0.310 60.936 61.300 -0.091 0.000 1.644 255 I CB -0.567 37.175 38.000 -0.429 0.000 1.485 255 I HN 0.422 nan 8.210 nan 0.000 0.728 256 F N 3.316 123.266 119.950 -0.000 0.000 2.438 256 F HA 0.518 5.045 4.527 -0.000 0.000 0.356 256 F C 1.359 177.121 175.800 -0.063 0.000 1.099 256 F CA 0.604 58.533 58.000 -0.117 0.000 1.185 256 F CB 1.008 39.744 39.000 -0.441 0.000 1.115 256 F HN 0.526 nan 8.300 nan 0.000 0.526 257 G N 3.441 111.895 108.800 -0.576 0.000 2.225 257 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.254 257 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.254 257 G C 0.144 174.952 174.900 -0.153 0.000 0.988 257 G CA -0.063 44.843 45.100 -0.323 0.000 0.625 257 G HN 1.221 nan 8.290 nan 0.000 0.527 258 A N 1.694 124.452 122.820 -0.104 0.000 2.354 258 A HA 0.694 5.014 4.320 -0.000 0.000 0.269 258 A C -1.227 176.328 177.584 -0.049 0.000 1.109 258 A CA -0.680 51.333 52.037 -0.041 0.000 0.800 258 A CB 0.405 19.387 19.000 -0.030 0.000 1.045 258 A HN 0.289 nan 8.150 nan 0.000 0.489 259 P HA 0.015 nan 4.420 nan 0.000 0.268 259 P C 0.842 178.139 177.300 -0.007 0.000 1.205 259 P CA -0.378 62.710 63.100 -0.020 0.000 0.771 259 P CB 0.718 32.416 31.700 -0.003 0.000 0.858 260 L N 4.140 125.347 121.223 -0.026 0.000 2.081 260 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 260 L C 1.869 178.741 176.870 0.005 0.000 1.080 260 L CA 2.442 57.267 54.840 -0.025 0.000 0.754 260 L CB -1.537 40.496 42.059 -0.043 0.000 0.893 260 L HN 0.478 nan 8.230 nan 0.000 0.433 261 N N -1.517 117.189 118.700 0.011 0.000 2.585 261 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 261 N C 1.452 176.993 175.510 0.052 0.000 1.102 261 N CA 1.244 54.308 53.050 0.023 0.000 0.920 261 N CB -0.472 38.023 38.487 0.013 0.000 0.963 261 N HN 0.597 nan 8.380 nan 0.000 0.447 262 Q N -0.483 119.373 119.800 0.093 0.000 2.356 262 Q HA 0.208 4.548 4.340 -0.000 0.000 0.205 262 Q C 1.390 177.574 176.000 0.307 0.000 0.901 262 Q CA -0.071 55.837 55.803 0.174 0.000 0.938 262 Q CB 0.504 29.385 28.738 0.238 0.000 1.081 262 Q HN 0.236 nan 8.270 nan 0.000 0.517 263 V N 1.676 121.716 119.914 0.209 0.000 2.332 263 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 263 V C -0.865 175.389 176.094 0.268 0.000 1.055 263 V CA 1.908 64.340 62.300 0.220 0.000 1.038 263 V CB -1.365 30.479 31.823 0.034 0.000 0.651 263 V HN 0.243 nan 8.190 nan 0.000 0.450 264 P HA -0.163 nan 4.420 nan 0.000 0.217 264 P C 1.833 179.171 177.300 0.062 0.000 1.148 264 P CA 1.385 64.543 63.100 0.097 0.000 0.828 264 P CB -0.110 31.622 31.700 0.053 0.000 0.783 265 L N -3.098 118.121 121.223 -0.006 0.000 2.191 265 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 265 L C 2.017 178.733 176.870 -0.257 0.000 1.103 265 L CA 1.364 56.012 54.840 -0.320 0.000 0.769 265 L CB -0.792 40.789 42.059 -0.797 0.000 0.908 265 L HN -0.030 nan 8.230 nan 0.000 0.438 266 F N -0.306 119.662 119.950 0.029 0.000 2.387 266 F HA 0.011 4.538 4.527 -0.000 0.000 0.294 266 F C 2.049 177.866 175.800 0.029 0.000 1.093 266 F CA 0.802 58.853 58.000 0.085 0.000 1.420 266 F CB -0.074 38.973 39.000 0.079 0.000 1.086 266 F HN -0.002 nan 8.300 nan 0.000 0.531 267 I N -4.022 116.680 120.570 0.220 0.000 4.139 267 I HA 0.207 4.377 4.170 -0.000 0.000 0.335 267 I C 0.232 176.439 176.117 0.150 0.000 1.327 267 I CA -0.240 61.152 61.300 0.154 0.000 1.112 267 I CB -0.114 37.970 38.000 0.140 0.000 1.058 267 I HN -0.211 nan 8.210 nan 0.000 0.396 268 D N 3.021 123.491 120.400 0.117 0.000 2.412 268 D HA -0.044 4.596 4.640 -0.000 0.000 0.257 268 D C 1.523 177.884 176.300 0.102 0.000 1.217 268 D CA 0.824 54.899 54.000 0.125 0.000 0.897 268 D CB 1.436 42.267 40.800 0.052 0.000 1.132 268 D HN 0.425 nan 8.370 nan 0.000 0.493 269 S N 4.628 120.432 115.700 0.173 0.000 2.402 269 S HA -0.249 4.220 4.470 -0.000 0.000 0.233 269 S C 1.690 176.311 174.600 0.036 0.000 1.030 269 S CA 0.826 59.115 58.200 0.148 0.000 1.003 269 S CB -0.133 63.205 63.200 0.231 0.000 0.813 269 S HN 0.594 nan 8.310 nan 0.000 0.477 270 R N 0.998 121.466 120.500 -0.053 0.000 2.193 270 R HA 0.132 4.472 4.340 -0.000 0.000 0.229 270 R C 2.451 178.679 176.300 -0.120 0.000 1.110 270 R CA 1.123 57.139 56.100 -0.140 0.000 0.988 270 R CB -0.237 29.887 30.300 -0.293 0.000 0.871 270 R HN 0.470 nan 8.270 nan 0.000 0.458 271 R N 0.711 121.151 120.500 -0.099 0.000 2.275 271 R HA 0.059 4.399 4.340 -0.000 0.000 0.199 271 R C 0.056 176.268 176.300 -0.146 0.000 0.989 271 R CA 0.108 56.140 56.100 -0.113 0.000 1.016 271 R CB 0.096 30.331 30.300 -0.108 0.000 0.918 271 R HN 0.024 nan 8.270 nan 0.000 0.473 272 K N 0.738 121.032 120.400 -0.177 0.000 3.419 272 K HA -0.260 4.060 4.320 -0.000 0.000 0.272 272 K C -0.258 176.116 176.600 -0.376 0.000 0.973 272 K CA 0.683 56.700 56.287 -0.451 0.000 0.749 272 K CB -0.822 31.316 32.500 -0.603 0.000 1.403 272 K HN 0.416 nan 8.250 nan 0.000 0.456 273 E N -0.387 119.804 120.200 -0.015 0.000 2.933 273 E HA 0.320 4.670 4.350 -0.000 0.000 0.246 273 E C 0.200 176.905 176.600 0.175 0.000 1.066 273 E CA -0.461 56.009 56.400 0.116 0.000 0.984 273 E CB 0.423 30.154 29.700 0.053 0.000 2.860 273 E HN 0.139 nan 8.360 nan 0.000 0.586 274 L N 1.403 122.668 121.223 0.070 0.000 2.322 274 L HA 0.317 4.656 4.340 -0.000 0.000 0.269 274 L C 0.355 177.204 176.870 -0.036 0.000 1.012 274 L CA -0.688 54.127 54.840 -0.042 0.000 0.815 274 L CB 1.266 43.298 42.059 -0.046 0.000 1.295 274 L HN 0.207 nan 8.230 nan 0.000 0.438 275 D N 0.519 120.805 120.400 -0.189 0.000 2.197 275 D HA 0.142 4.782 4.640 -0.000 0.000 0.212 275 D C 0.297 176.492 176.300 -0.174 0.000 0.963 275 D CA 1.401 55.232 54.000 -0.281 0.000 0.864 275 D CB 0.449 40.728 40.800 -0.868 0.000 1.009 275 D HN 0.349 nan 8.370 nan 0.000 0.479 276 M N 0.066 119.526 119.600 -0.234 0.000 2.644 276 M HA 0.609 5.089 4.480 -0.000 0.000 0.304 276 M C -0.975 175.204 176.300 -0.202 0.000 1.215 276 M CA -0.939 54.279 55.300 -0.137 0.000 0.871 276 M CB 2.967 35.436 32.600 -0.219 0.000 1.740 276 M HN -0.247 nan 8.290 nan 0.000 0.464 277 A N 1.434 124.121 122.820 -0.222 0.000 2.342 277 A HA 0.850 5.170 4.320 -0.000 0.000 0.323 277 A C -1.626 175.755 177.584 -0.338 0.000 1.125 277 A CA -0.454 51.452 52.037 -0.218 0.000 0.785 277 A CB 0.628 19.551 19.000 -0.127 0.000 1.221 277 A HN 0.676 nan 8.150 nan 0.000 0.463 278 F N 2.110 121.927 119.950 -0.222 0.000 2.332 278 F HA 0.435 4.962 4.527 -0.000 0.000 0.368 278 F C 1.118 176.746 175.800 -0.287 0.000 1.110 278 F CA 0.064 57.895 58.000 -0.282 0.000 1.087 278 F CB 1.908 40.684 39.000 -0.374 0.000 1.235 278 F HN 0.640 nan 8.300 nan 0.000 0.470 279 T N -1.058 113.395 114.554 -0.169 0.000 2.952 279 T HA 0.511 4.861 4.350 -0.000 0.000 0.286 279 T C -0.015 174.335 174.700 -0.584 0.000 1.024 279 T CA -0.408 61.551 62.100 -0.235 0.000 1.029 279 T CB 1.362 70.123 68.868 -0.178 0.000 1.094 279 T HN 0.293 nan 8.240 nan 0.000 0.515 280 F N -0.706 119.233 119.950 -0.019 0.000 2.729 280 F HA 0.300 4.827 4.527 -0.000 0.000 0.315 280 F C 1.198 176.944 175.800 -0.090 0.000 1.102 280 F CA -0.749 57.242 58.000 -0.015 0.000 1.204 280 F CB 0.001 38.988 39.000 -0.022 0.000 1.052 280 F HN 0.497 nan 8.300 nan 0.000 0.551 281 D N 0.672 121.042 120.400 -0.050 0.000 2.123 281 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 281 D C 2.195 178.472 176.300 -0.039 0.000 0.992 281 D CA 1.311 55.279 54.000 -0.053 0.000 0.833 281 D CB -0.001 40.740 40.800 -0.097 0.000 0.954 281 D HN 0.165 nan 8.370 nan 0.000 0.455 282 L N 0.271 121.382 121.223 -0.187 0.000 2.007 282 L HA 0.057 4.397 4.340 -0.000 0.000 0.205 282 L C 1.951 178.814 176.870 -0.013 0.000 1.073 282 L CA 1.289 55.952 54.840 -0.294 0.000 0.744 282 L CB -0.566 41.127 42.059 -0.610 0.000 0.898 282 L HN 0.074 nan 8.230 nan 0.000 0.435 283 I N -0.673 119.905 120.570 0.013 0.000 2.530 283 I HA -0.215 3.955 4.170 -0.000 0.000 0.257 283 I C 1.223 177.631 176.117 0.485 0.000 1.179 283 I CA 0.945 62.465 61.300 0.366 0.000 1.440 283 I CB -0.122 38.026 38.000 0.247 0.000 1.087 283 I HN 0.292 nan 8.210 nan 0.000 0.440 284 R N -0.461 120.256 120.500 0.361 0.000 2.546 284 R HA 0.040 4.380 4.340 -0.000 0.000 0.320 284 R C 1.180 177.644 176.300 0.273 0.000 1.021 284 R CA -0.100 56.175 56.100 0.292 0.000 1.088 284 R CB -0.336 30.086 30.300 0.203 0.000 1.278 284 R HN 0.504 nan 8.270 nan 0.000 0.557 285 Y N 1.092 121.464 120.300 0.120 0.000 2.421 285 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 285 Y C 0.561 176.508 175.900 0.078 0.000 1.136 285 Y CA 0.652 58.792 58.100 0.068 0.000 1.255 285 Y CB -0.178 38.315 38.460 0.054 0.000 0.991 285 Y HN -0.068 nan 8.280 nan 0.000 0.552 286 D N -0.489 119.784 120.400 -0.212 0.000 2.538 286 D HA 0.172 4.812 4.640 -0.000 0.000 0.231 286 D C -0.165 176.076 176.300 -0.099 0.000 1.229 286 D CA -0.305 53.498 54.000 -0.329 0.000 0.828 286 D CB -0.234 40.289 40.800 -0.461 0.000 1.035 286 D HN 0.170 nan 8.370 nan 0.000 0.495 287 R N 0.869 121.353 120.500 -0.028 0.000 2.407 287 R HA 0.696 5.036 4.340 -0.000 0.000 0.303 287 R C -0.321 175.944 176.300 -0.059 0.000 0.981 287 R CA -0.480 55.605 56.100 -0.026 0.000 0.905 287 R CB 1.185 31.504 30.300 0.032 0.000 1.099 287 R HN 0.047 nan 8.270 nan 0.000 0.459 288 A N 4.035 126.799 122.820 -0.093 0.000 2.386 288 A HA 0.170 4.490 4.320 -0.000 0.000 0.246 288 A C 1.025 178.545 177.584 -0.106 0.000 1.089 288 A CA -0.287 51.671 52.037 -0.133 0.000 0.790 288 A CB 0.106 18.982 19.000 -0.208 0.000 1.042 288 A HN 0.930 nan 8.150 nan 0.000 0.497 289 L N -0.107 121.048 121.223 -0.114 0.000 2.191 289 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 289 L C 1.685 178.529 176.870 -0.044 0.000 1.103 289 L CA 1.790 56.578 54.840 -0.087 0.000 0.769 289 L CB -0.554 41.450 42.059 -0.093 0.000 0.908 289 L HN 0.960 nan 8.230 nan 0.000 0.438 290 D N -0.835 119.517 120.400 -0.079 0.000 2.363 290 D HA -0.128 4.512 4.640 -0.000 0.000 0.226 290 D C 0.985 177.326 176.300 0.068 0.000 1.020 290 D CA -0.008 53.997 54.000 0.008 0.000 0.892 290 D CB -0.046 40.635 40.800 -0.199 0.000 0.900 290 D HN 0.189 nan 8.370 nan 0.000 0.531 291 R N -1.650 118.859 120.500 0.015 0.000 3.977 291 R HA -0.148 4.192 4.340 -0.000 0.000 0.428 291 R C 0.143 176.464 176.300 0.036 0.000 1.079 291 R CA 1.442 57.611 56.100 0.116 0.000 1.269 291 R CB -2.384 28.136 30.300 0.366 0.000 1.856 291 R HN 0.656 nan 8.270 nan 0.000 0.551 292 W N -0.831 120.212 121.300 -0.428 0.000 2.702 292 W HA 0.397 5.057 4.660 -0.000 0.000 0.369 292 W C -0.276 175.920 176.519 -0.538 0.000 0.987 292 W CA -0.341 56.634 57.345 -0.615 0.000 1.702 292 W CB -0.095 28.628 29.460 -1.229 0.000 1.138 292 W HN -0.043 nan 8.180 nan 0.000 0.552 293 H N 0.836 119.615 119.070 -0.486 0.000 2.710 293 H HA 0.599 5.155 4.556 -0.000 0.000 0.361 293 H C -0.346 174.833 175.328 -0.248 0.000 1.175 293 H CA -0.115 55.674 56.048 -0.432 0.000 1.206 293 H CB 2.202 31.598 29.762 -0.609 0.000 1.750 293 H HN -0.358 nan 8.280 nan 0.000 0.553 294 T N 1.925 116.449 114.554 -0.050 0.000 2.856 294 T HA 0.518 4.867 4.350 -0.000 0.000 0.283 294 T C -0.267 174.387 174.700 -0.075 0.000 1.008 294 T CA -0.639 61.424 62.100 -0.062 0.000 0.997 294 T CB 0.689 69.531 68.868 -0.043 0.000 0.992 294 T HN 0.301 nan 8.240 nan 0.000 0.454 295 I N 4.012 124.522 120.570 -0.100 0.000 2.389 295 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 295 I C -2.361 173.680 176.117 -0.126 0.000 0.999 295 I CA -2.651 58.580 61.300 -0.114 0.000 1.129 295 I CB 2.125 40.046 38.000 -0.131 0.000 1.288 295 I HN 0.324 nan 8.210 nan 0.000 0.444 296 P HA 0.123 nan 4.420 nan 0.000 0.264 296 P C -0.774 176.457 177.300 -0.115 0.000 1.183 296 P CA -0.010 63.043 63.100 -0.079 0.000 0.763 296 P CB 0.510 32.183 31.700 -0.045 0.000 0.807 297 R N 0.921 121.345 120.500 -0.125 0.000 2.855 297 R HA 0.717 5.057 4.340 -0.000 0.000 0.266 297 R C 0.053 176.366 176.300 0.021 0.000 1.034 297 R CA -0.564 55.463 56.100 -0.121 0.000 0.944 297 R CB 1.342 31.389 30.300 -0.423 0.000 1.219 297 R HN 0.481 nan 8.270 nan 0.000 0.474 298 T N -2.702 111.898 114.554 0.077 0.000 2.910 298 T HA 0.272 4.622 4.350 -0.000 0.000 0.287 298 T C 0.939 175.687 174.700 0.079 0.000 1.050 298 T CA -0.800 61.337 62.100 0.062 0.000 1.011 298 T CB 0.969 69.841 68.868 0.007 0.000 1.195 298 T HN 0.314 nan 8.240 nan 0.000 0.540 299 L N 1.260 122.432 121.223 -0.085 0.000 2.127 299 L HA 0.135 4.475 4.340 -0.000 0.000 0.211 299 L C 2.665 179.442 176.870 -0.155 0.000 1.089 299 L CA 2.458 57.119 54.840 -0.298 0.000 0.757 299 L CB -1.462 40.283 42.059 -0.522 0.000 0.899 299 L HN 0.908 nan 8.230 nan 0.000 0.434 300 A N -0.681 122.095 122.820 -0.073 0.000 1.908 300 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 300 A C 2.009 179.593 177.584 0.001 0.000 1.181 300 A CA 1.949 53.962 52.037 -0.040 0.000 0.627 300 A CB -0.763 18.225 19.000 -0.021 0.000 0.818 300 A HN 0.581 nan 8.150 nan 0.000 0.445 301 D N -1.178 119.268 120.400 0.077 0.000 2.097 301 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 301 D C 1.703 178.081 176.300 0.130 0.000 0.984 301 D CA 1.303 55.389 54.000 0.144 0.000 0.826 301 D CB -0.468 40.480 40.800 0.246 0.000 0.973 301 D HN 0.464 nan 8.370 nan 0.000 0.460 302 F N 3.005 122.918 119.950 -0.062 0.000 2.043 302 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 302 F C 2.576 178.091 175.800 -0.474 0.000 1.121 302 F CA 2.094 59.837 58.000 -0.427 0.000 1.199 302 F CB -0.156 38.547 39.000 -0.495 0.000 0.968 302 F HN -0.148 nan 8.300 nan 0.000 0.478 303 R N 0.278 120.670 120.500 -0.180 0.000 2.096 303 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 303 R C 2.017 178.200 176.300 -0.195 0.000 1.127 303 R CA 1.819 57.706 56.100 -0.355 0.000 0.968 303 R CB -1.171 28.895 30.300 -0.389 0.000 0.861 303 R HN 0.431 nan 8.270 nan 0.000 0.440 304 Q N 0.531 120.258 119.800 -0.121 0.000 2.124 304 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 304 Q C 1.950 177.887 176.000 -0.105 0.000 0.977 304 Q CA 2.277 58.036 55.803 -0.072 0.000 0.850 304 Q CB -0.004 28.712 28.738 -0.037 0.000 0.901 304 Q HN 0.447 nan 8.270 nan 0.000 0.429 305 T N 1.069 115.525 114.554 -0.162 0.000 2.737 305 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 305 T C 1.837 176.389 174.700 -0.247 0.000 1.038 305 T CA 0.914 62.901 62.100 -0.189 0.000 1.144 305 T CB -0.165 68.565 68.868 -0.231 0.000 0.866 305 T HN 0.205 nan 8.240 nan 0.000 0.434 306 I N 1.522 121.879 120.570 -0.354 0.000 2.163 306 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 306 I C 2.304 178.281 176.117 -0.234 0.000 1.085 306 I CA 1.308 62.396 61.300 -0.354 0.000 1.347 306 I CB -0.446 37.286 38.000 -0.446 0.000 1.044 306 I HN 0.181 nan 8.210 nan 0.000 0.408 307 D N 1.104 121.442 120.400 -0.104 0.000 2.123 307 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 307 D C 2.139 178.423 176.300 -0.027 0.000 0.992 307 D CA 1.349 55.369 54.000 0.033 0.000 0.833 307 D CB -0.232 40.612 40.800 0.073 0.000 0.954 307 D HN 0.375 nan 8.370 nan 0.000 0.455 308 K N 0.317 120.676 120.400 -0.067 0.000 2.057 308 K HA -0.049 4.270 4.320 -0.000 0.000 0.206 308 K C 2.250 178.800 176.600 -0.083 0.000 1.050 308 K CA 0.520 56.769 56.287 -0.063 0.000 0.935 308 K CB -0.056 32.405 32.500 -0.066 0.000 0.715 308 K HN -0.014 nan 8.250 nan 0.000 0.439 309 V N 1.705 121.542 119.914 -0.129 0.000 2.343 309 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 309 V C 1.960 177.965 176.094 -0.148 0.000 1.051 309 V CA 2.166 64.378 62.300 -0.147 0.000 1.036 309 V CB -0.470 31.235 31.823 -0.197 0.000 0.654 309 V HN 0.367 nan 8.190 nan 0.000 0.451 310 D N 0.181 120.475 120.400 -0.178 0.000 2.117 310 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 310 D C 2.107 178.361 176.300 -0.077 0.000 0.987 310 D CA 1.433 55.326 54.000 -0.177 0.000 0.829 310 D CB -0.145 40.521 40.800 -0.223 0.000 0.961 310 D HN 0.374 nan 8.370 nan 0.000 0.460 311 A N 0.398 123.196 122.820 -0.036 0.000 1.933 311 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 311 A C 2.207 179.786 177.584 -0.009 0.000 1.175 311 A CA 0.958 52.991 52.037 -0.006 0.000 0.628 311 A CB -0.648 18.352 19.000 0.000 0.000 0.814 311 A HN 0.339 nan 8.150 nan 0.000 0.444 312 I N 0.028 120.583 120.570 -0.025 0.000 2.361 312 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 312 I C 2.807 178.929 176.117 0.007 0.000 1.133 312 I CA 1.329 62.623 61.300 -0.010 0.000 1.413 312 I CB -1.434 36.552 38.000 -0.023 0.000 1.073 312 I HN 0.378 nan 8.210 nan 0.000 0.424 313 A N 0.316 123.127 122.820 -0.015 0.000 2.070 313 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 313 A C 1.814 179.440 177.584 0.070 0.000 1.159 313 A CA 1.188 53.235 52.037 0.017 0.000 0.656 313 A CB -0.926 18.043 19.000 -0.051 0.000 0.800 313 A HN 0.512 nan 8.150 nan 0.000 0.453 314 G N -1.817 107.013 108.800 0.049 0.000 2.581 314 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.291 314 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.291 314 G C 0.785 175.708 174.900 0.038 0.000 1.277 314 G CA 1.445 46.579 45.100 0.057 0.000 0.959 314 G HN 1.369 nan 8.290 nan 0.000 0.554 315 E N -2.313 117.871 120.200 -0.025 0.000 2.431 315 E HA 0.412 4.762 4.350 -0.000 0.000 0.200 315 E C 1.918 178.321 176.600 -0.330 0.000 0.995 315 E CA 1.418 57.693 56.400 -0.209 0.000 0.915 315 E CB 0.041 29.508 29.700 -0.389 0.000 0.930 315 E HN 0.721 nan 8.360 nan 0.000 0.496 316 Y N -0.500 119.859 120.300 0.098 0.000 2.444 316 Y HA 0.454 5.004 4.550 -0.000 0.000 0.249 316 Y C 1.635 177.625 175.900 0.151 0.000 1.134 316 Y CA -0.240 57.922 58.100 0.103 0.000 1.261 316 Y CB 1.140 39.640 38.460 0.068 0.000 1.143 316 Y HN 0.325 nan 8.280 nan 0.000 0.523 317 G N -1.007 107.961 108.800 0.279 0.000 2.521 317 G HA2 0.384 4.343 3.960 -0.000 0.000 0.323 317 G HA3 0.384 4.343 3.960 -0.000 0.000 0.323 317 G C -1.637 173.504 174.900 0.402 0.000 1.211 317 G CA -0.488 44.778 45.100 0.278 0.000 0.979 317 G HN 0.190 nan 8.290 nan 0.000 0.490 318 W N 0.557 121.914 121.300 0.095 0.000 3.425 318 W HA 0.355 5.015 4.660 -0.000 0.000 0.318 318 W C -1.461 175.072 176.519 0.023 0.000 1.201 318 W CA -0.699 56.703 57.345 0.095 0.000 1.212 318 W CB 2.069 31.678 29.460 0.249 0.000 1.355 318 W HN 0.400 nan 8.180 nan 0.000 0.515 319 N N 2.033 120.366 118.700 -0.612 0.000 2.443 319 N HA 0.379 5.118 4.740 -0.000 0.000 0.293 319 N C 0.017 175.236 175.510 -0.484 0.000 1.159 319 N CA 0.028 52.802 53.050 -0.459 0.000 0.904 319 N CB 2.121 40.369 38.487 -0.398 0.000 1.214 319 N HN 0.324 nan 8.380 nan 0.000 0.513 320 T N -2.192 112.165 114.554 -0.327 0.000 2.936 320 T HA 0.670 5.020 4.350 -0.000 0.000 0.282 320 T C -0.644 174.062 174.700 0.011 0.000 1.003 320 T CA -0.568 61.414 62.100 -0.196 0.000 1.005 320 T CB 1.025 69.456 68.868 -0.730 0.000 1.097 320 T HN 0.317 nan 8.240 nan 0.000 0.532 321 F N 2.342 122.351 119.950 0.098 0.000 2.561 321 F HA 0.683 5.210 4.527 -0.000 0.000 0.313 321 F C -1.902 174.107 175.800 0.349 0.000 1.126 321 F CA -1.701 56.341 58.000 0.069 0.000 0.918 321 F CB 1.652 40.614 39.000 -0.062 0.000 1.199 321 F HN 0.815 nan 8.300 nan 0.000 0.444 322 F N 4.407 123.892 119.950 -0.775 0.000 2.668 322 F HA 0.608 5.135 4.527 -0.000 0.000 0.309 322 F C -1.479 174.025 175.800 -0.493 0.000 1.117 322 F CA -1.201 56.614 58.000 -0.308 0.000 0.951 322 F CB 1.280 40.320 39.000 0.066 0.000 1.323 322 F HN 0.343 nan 8.300 nan 0.000 0.451 323 L N 1.348 122.549 121.223 -0.037 0.000 2.858 323 L HA 0.627 4.967 4.340 -0.000 0.000 0.251 323 L C 0.406 177.527 176.870 0.419 0.000 1.149 323 L CA 0.224 55.108 54.840 0.072 0.000 0.955 323 L CB 0.808 42.988 42.059 0.200 0.000 1.289 323 L HN 1.018 nan 8.230 nan 0.000 0.542 324 G N 0.133 109.213 108.800 0.466 0.000 2.632 324 G HA2 0.480 4.439 3.960 -0.000 0.000 0.292 324 G HA3 0.480 4.439 3.960 -0.000 0.000 0.292 324 G C -1.907 173.128 174.900 0.224 0.000 1.465 324 G CA -0.306 45.003 45.100 0.347 0.000 0.824 324 G HN 0.056 nan 8.290 nan 0.000 0.509 325 N N -1.964 116.579 118.700 -0.261 0.000 3.339 325 N HA 0.186 4.926 4.740 -0.000 0.000 0.275 325 N C 0.700 175.604 175.510 -1.010 0.000 1.514 325 N CA -0.287 52.416 53.050 -0.578 0.000 0.879 325 N CB 0.219 38.681 38.487 -0.042 0.000 1.557 325 N HN 0.631 nan 8.380 nan 0.000 0.524 326 H N -1.592 117.035 119.070 -0.738 0.000 2.561 326 H HA 0.151 4.707 4.556 -0.000 0.000 0.278 326 H C -0.777 174.371 175.328 -0.299 0.000 1.014 326 H CA 0.943 56.683 56.048 -0.514 0.000 1.211 326 H CB -0.241 29.360 29.762 -0.268 0.000 1.365 326 H HN 0.527 nan 8.280 nan 0.000 0.594 327 D N 0.239 120.228 120.400 -0.685 0.000 2.440 327 D HA 0.159 4.798 4.640 -0.000 0.000 0.216 327 D C -0.134 176.044 176.300 -0.203 0.000 1.150 327 D CA -0.075 53.638 54.000 -0.478 0.000 0.832 327 D CB 0.522 40.984 40.800 -0.564 0.000 0.992 327 D HN 0.342 nan 8.370 nan 0.000 0.502 328 N N 0.720 119.319 118.700 -0.169 0.000 2.647 328 N HA 0.293 5.033 4.740 -0.000 0.000 0.266 328 N C -2.756 172.708 175.510 -0.076 0.000 1.373 328 N CA -1.158 51.851 53.050 -0.068 0.000 0.807 328 N CB 3.013 41.529 38.487 0.049 0.000 1.513 328 N HN -0.188 nan 8.380 nan 0.000 0.505 329 P HA 0.104 nan 4.420 nan 0.000 0.272 329 P C -0.346 176.972 177.300 0.030 0.000 1.240 329 P CA -0.262 62.819 63.100 -0.032 0.000 0.791 329 P CB 0.806 32.438 31.700 -0.113 0.000 0.978 330 R N 0.977 121.528 120.500 0.084 0.000 2.538 330 R HA 0.066 4.406 4.340 -0.000 0.000 0.282 330 R C 1.698 178.114 176.300 0.194 0.000 1.009 330 R CA 0.377 56.562 56.100 0.142 0.000 1.063 330 R CB -0.371 30.006 30.300 0.128 0.000 0.945 330 R HN 0.578 nan 8.270 nan 0.000 0.414 331 A N 3.927 126.910 122.820 0.272 0.000 1.884 331 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 331 A C 2.109 179.883 177.584 0.318 0.000 1.197 331 A CA 2.062 54.330 52.037 0.386 0.000 0.637 331 A CB -0.559 18.704 19.000 0.439 0.000 0.827 331 A HN 0.546 nan 8.150 nan 0.000 0.450 332 V N -0.225 119.817 119.914 0.212 0.000 2.407 332 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 332 V C 2.580 178.727 176.094 0.089 0.000 1.055 332 V CA 2.773 65.140 62.300 0.111 0.000 1.049 332 V CB -0.390 31.463 31.823 0.051 0.000 0.662 332 V HN 0.588 nan 8.190 nan 0.000 0.455 333 S N -1.662 114.104 115.700 0.109 0.000 2.395 333 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 333 S C 1.768 176.451 174.600 0.139 0.000 1.027 333 S CA 1.343 59.602 58.200 0.099 0.000 0.965 333 S CB -0.414 62.837 63.200 0.084 0.000 0.812 333 S HN 0.867 nan 8.310 nan 0.000 0.482 334 H N -0.645 118.417 119.070 -0.014 0.000 2.317 334 H HA 0.035 4.591 4.556 -0.000 0.000 0.304 334 H C 1.068 176.307 175.328 -0.149 0.000 1.067 334 H CA 1.346 57.292 56.048 -0.169 0.000 1.352 334 H CB 0.044 29.566 29.762 -0.400 0.000 1.398 334 H HN 0.394 nan 8.280 nan 0.000 0.510 335 F N -0.057 119.991 119.950 0.163 0.000 2.731 335 F HA 0.262 4.789 4.527 -0.000 0.000 0.298 335 F C 1.504 177.430 175.800 0.210 0.000 1.106 335 F CA 0.422 58.511 58.000 0.149 0.000 1.329 335 F CB 0.562 39.668 39.000 0.176 0.000 1.100 335 F HN 0.138 nan 8.300 nan 0.000 0.592 336 G N -1.305 107.639 108.800 0.239 0.000 3.099 336 G HA2 0.283 4.243 3.960 -0.000 0.000 0.151 336 G HA3 0.283 4.243 3.960 -0.000 0.000 0.151 336 G C -1.418 173.482 174.900 0.000 0.000 1.265 336 G CA -0.148 44.923 45.100 -0.047 0.000 0.981 336 G HN -0.052 nan 8.290 nan 0.000 0.601 337 D N 0.118 120.385 120.400 -0.221 0.000 2.476 337 D HA 0.209 4.849 4.640 -0.000 0.000 0.251 337 D C -0.376 175.909 176.300 -0.025 0.000 1.291 337 D CA -0.457 53.532 54.000 -0.019 0.000 0.939 337 D CB 1.474 42.307 40.800 0.054 0.000 1.221 337 D HN 0.279 nan 8.370 nan 0.000 0.567 338 D N 2.294 122.708 120.400 0.024 0.000 2.336 338 D HA -0.018 4.622 4.640 -0.000 0.000 0.229 338 D C 0.360 176.677 176.300 0.028 0.000 1.061 338 D CA -0.108 53.899 54.000 0.013 0.000 0.875 338 D CB -0.054 40.755 40.800 0.016 0.000 0.904 338 D HN 0.152 nan 8.370 nan 0.000 0.525 339 R N 0.706 121.255 120.500 0.082 0.000 2.679 339 R HA 0.120 4.460 4.340 -0.000 0.000 0.268 339 R C -1.464 174.842 176.300 0.009 0.000 1.044 339 R CA -1.112 55.032 56.100 0.072 0.000 1.105 339 R CB 0.177 30.574 30.300 0.161 0.000 0.989 339 R HN -0.015 nan 8.270 nan 0.000 0.447 340 P HA -0.292 nan 4.420 nan 0.000 0.218 340 P C 0.968 178.168 177.300 -0.167 0.000 1.154 340 P CA 1.444 64.488 63.100 -0.094 0.000 0.872 340 P CB 0.137 31.781 31.700 -0.093 0.000 0.790 341 Q N -2.149 117.480 119.800 -0.285 0.000 2.432 341 Q HA -0.097 4.243 4.340 -0.000 0.000 0.205 341 Q C 1.157 176.732 176.000 -0.708 0.000 0.945 341 Q CA 1.166 56.637 55.803 -0.554 0.000 0.924 341 Q CB -0.834 27.443 28.738 -0.768 0.000 1.016 341 Q HN 0.454 nan 8.270 nan 0.000 0.503 342 W N 0.377 121.639 121.300 -0.064 0.000 2.741 342 W HA 0.379 5.038 4.660 -0.000 0.000 0.317 342 W C 2.219 178.583 176.519 -0.257 0.000 1.029 342 W CA -0.709 56.554 57.345 -0.137 0.000 1.511 342 W CB 0.568 29.968 29.460 -0.101 0.000 1.025 342 W HN 0.010 nan 8.180 nan 0.000 0.554 343 R N 1.803 122.302 120.500 -0.002 0.000 2.115 343 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 343 R C 1.548 177.790 176.300 -0.095 0.000 1.133 343 R CA 2.517 58.577 56.100 -0.067 0.000 0.935 343 R CB -0.294 29.979 30.300 -0.045 0.000 0.853 343 R HN 0.221 nan 8.270 nan 0.000 0.433 344 E N -0.419 119.741 120.200 -0.066 0.000 2.077 344 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 344 E C 1.986 178.529 176.600 -0.094 0.000 0.989 344 E CA 1.176 57.543 56.400 -0.055 0.000 0.800 344 E CB -0.135 29.542 29.700 -0.039 0.000 0.746 344 E HN 0.516 nan 8.360 nan 0.000 0.452 345 A N 1.383 124.156 122.820 -0.079 0.000 1.877 345 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 345 A C 2.358 179.810 177.584 -0.222 0.000 1.186 345 A CA 2.051 54.049 52.037 -0.064 0.000 0.620 345 A CB -0.663 18.435 19.000 0.164 0.000 0.822 345 A HN 0.339 nan 8.150 nan 0.000 0.443 346 S N 0.084 115.444 115.700 -0.566 0.000 2.406 346 S HA 0.104 4.574 4.470 -0.000 0.000 0.228 346 S C 2.095 176.406 174.600 -0.481 0.000 1.020 346 S CA 1.202 58.756 58.200 -1.076 0.000 0.965 346 S CB -0.644 61.394 63.200 -1.937 0.000 0.798 346 S HN 0.872 nan 8.310 nan 0.000 0.488 347 A N 2.462 125.132 122.820 -0.251 0.000 1.902 347 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 347 A C 2.267 179.868 177.584 0.030 0.000 1.181 347 A CA 1.640 53.660 52.037 -0.028 0.000 0.623 347 A CB -0.611 18.424 19.000 0.057 0.000 0.818 347 A HN 0.587 nan 8.150 nan 0.000 0.443 348 K N -0.366 119.991 120.400 -0.071 0.000 2.026 348 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 348 K C 2.362 178.930 176.600 -0.053 0.000 1.048 348 K CA 1.080 57.280 56.287 -0.145 0.000 0.929 348 K CB -0.372 31.762 32.500 -0.610 0.000 0.713 348 K HN 0.431 nan 8.250 nan 0.000 0.439 349 A N 1.634 124.410 122.820 -0.073 0.000 1.892 349 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 349 A C 2.121 179.737 177.584 0.053 0.000 1.188 349 A CA 1.500 53.548 52.037 0.019 0.000 0.631 349 A CB -0.792 18.279 19.000 0.118 0.000 0.822 349 A HN 0.191 nan 8.150 nan 0.000 0.447 350 L N -1.099 120.145 121.223 0.035 0.000 2.201 350 L HA -0.146 4.193 4.340 -0.000 0.000 0.212 350 L C 3.026 179.998 176.870 0.169 0.000 1.105 350 L CA 0.784 55.710 54.840 0.144 0.000 0.775 350 L CB -0.552 41.613 42.059 0.176 0.000 0.913 350 L HN 0.465 nan 8.230 nan 0.000 0.440 351 A N -0.169 122.678 122.820 0.046 0.000 1.898 351 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 351 A C 2.372 179.900 177.584 -0.093 0.000 1.181 351 A CA 2.163 54.048 52.037 -0.254 0.000 0.620 351 A CB -0.821 17.688 19.000 -0.819 0.000 0.819 351 A HN 0.334 nan 8.150 nan 0.000 0.442 352 T N -0.217 114.373 114.554 0.061 0.000 2.720 352 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 352 T C 1.885 176.637 174.700 0.087 0.000 1.037 352 T CA 1.623 63.760 62.100 0.062 0.000 1.144 352 T CB -0.437 68.514 68.868 0.139 0.000 0.864 352 T HN 0.153 nan 8.240 nan 0.000 0.444 353 V N 1.502 121.526 119.914 0.184 0.000 2.261 353 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 353 V C 2.805 178.980 176.094 0.136 0.000 1.047 353 V CA 2.160 64.621 62.300 0.268 0.000 1.015 353 V CB -1.246 30.854 31.823 0.461 0.000 0.642 353 V HN 0.518 nan 8.190 nan 0.000 0.446 354 T N 0.643 115.345 114.554 0.245 0.000 2.665 354 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 354 T C 1.622 176.427 174.700 0.175 0.000 1.035 354 T CA 1.693 64.003 62.100 0.350 0.000 1.151 354 T CB -0.363 68.763 68.868 0.430 0.000 0.862 354 T HN 0.312 nan 8.240 nan 0.000 0.438 355 L N 1.458 122.733 121.223 0.087 0.000 2.627 355 L HA 0.118 4.458 4.340 -0.000 0.000 0.233 355 L C 1.839 178.698 176.870 -0.019 0.000 1.144 355 L CA 0.699 55.555 54.840 0.027 0.000 0.892 355 L CB -0.381 41.651 42.059 -0.045 0.000 1.039 355 L HN 0.412 nan 8.230 nan 0.000 0.442 356 T N -5.766 108.780 114.554 -0.013 0.000 3.170 356 T HA 0.196 4.545 4.350 -0.000 0.000 0.288 356 T C 0.657 175.368 174.700 0.019 0.000 0.992 356 T CA -0.496 61.615 62.100 0.018 0.000 0.909 356 T CB 0.351 69.250 68.868 0.051 0.000 1.133 356 T HN -0.074 nan 8.240 nan 0.000 0.530 357 Q N 1.951 121.627 119.800 -0.208 0.000 2.306 357 Q HA 0.351 4.691 4.340 -0.000 0.000 0.241 357 Q C -0.102 175.708 176.000 -0.316 0.000 0.948 357 Q CA -0.381 55.125 55.803 -0.496 0.000 0.886 357 Q CB 1.612 29.635 28.738 -1.191 0.000 1.227 357 Q HN 0.439 nan 8.270 nan 0.000 0.457 358 R N 0.215 120.479 120.500 -0.394 0.000 2.296 358 R HA 0.438 4.778 4.340 -0.000 0.000 0.323 358 R C -0.095 175.907 176.300 -0.498 0.000 1.067 358 R CA 0.704 56.624 56.100 -0.300 0.000 0.946 358 R CB -0.173 29.975 30.300 -0.254 0.000 0.991 358 R HN 0.806 nan 8.270 nan 0.000 0.448 359 G N 1.615 110.116 108.800 -0.498 0.000 2.359 359 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.303 359 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.303 359 G C -1.253 173.672 174.900 0.041 0.000 1.293 359 G CA -0.939 43.715 45.100 -0.743 0.000 0.964 359 G HN 0.426 nan 8.290 nan 0.000 0.531 360 T N 3.732 118.422 114.554 0.227 0.000 2.727 360 T HA 0.588 4.938 4.350 -0.000 0.000 0.298 360 T C -2.217 172.732 174.700 0.415 0.000 0.942 360 T CA -0.613 61.750 62.100 0.437 0.000 0.997 360 T CB 1.596 70.779 68.868 0.525 0.000 0.917 360 T HN 0.509 nan 8.240 nan 0.000 0.487 361 P HA 0.314 nan 4.420 nan 0.000 0.276 361 P C -1.075 176.507 177.300 0.471 0.000 1.230 361 P CA -0.474 62.908 63.100 0.471 0.000 0.776 361 P CB 0.509 32.428 31.700 0.365 0.000 0.888 362 F N 2.923 123.130 119.950 0.427 0.000 2.427 362 F HA 0.417 4.944 4.527 -0.000 0.000 0.348 362 F C 0.663 176.725 175.800 0.437 0.000 1.125 362 F CA -0.703 57.583 58.000 0.476 0.000 0.989 362 F CB 1.126 40.428 39.000 0.505 0.000 1.165 362 F HN 0.113 nan 8.300 nan 0.000 0.442 363 I N 4.769 125.607 120.570 0.446 0.000 2.325 363 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 363 I C -0.357 175.798 176.117 0.062 0.000 1.019 363 I CA -0.656 60.820 61.300 0.294 0.000 1.302 363 I CB 0.705 38.845 38.000 0.232 0.000 1.401 363 I HN 0.383 nan 8.210 nan 0.000 0.485 364 F N 6.831 126.793 119.950 0.021 0.000 2.456 364 F HA 0.174 4.701 4.527 -0.000 0.000 0.358 364 F C 0.786 176.447 175.800 -0.232 0.000 1.095 364 F CA -0.727 57.225 58.000 -0.080 0.000 1.216 364 F CB 0.695 39.745 39.000 0.083 0.000 1.125 364 F HN 0.509 nan 8.300 nan 0.000 0.549 365 Q N 4.688 123.811 119.800 -1.129 0.000 2.320 365 Q HA 0.299 4.639 4.340 -0.000 0.000 0.311 365 Q C 0.760 176.636 176.000 -0.207 0.000 1.083 365 Q CA 0.651 56.135 55.803 -0.532 0.000 1.001 365 Q CB -0.029 28.603 28.738 -0.177 0.000 1.074 365 Q HN 1.144 nan 8.270 nan 0.000 0.379 366 G N 3.122 111.988 108.800 0.110 0.000 2.284 366 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 366 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 366 G C 0.443 175.295 174.900 -0.079 0.000 1.009 366 G CA 0.127 45.122 45.100 -0.175 0.000 0.625 366 G HN 0.664 nan 8.290 nan 0.000 0.501 367 D N 1.439 121.840 120.400 0.003 0.000 2.224 367 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 367 D C 2.424 178.619 176.300 -0.174 0.000 0.965 367 D CA 1.269 55.288 54.000 0.031 0.000 0.852 367 D CB -0.135 40.768 40.800 0.171 0.000 0.947 367 D HN 0.745 nan 8.370 nan 0.000 0.494 368 E N 0.933 120.914 120.200 -0.365 0.000 2.409 368 E HA -0.124 4.225 4.350 -0.000 0.000 0.198 368 E C 1.844 178.423 176.600 -0.034 0.000 1.024 368 E CA 0.431 56.427 56.400 -0.673 0.000 0.861 368 E CB -0.311 29.215 29.700 -0.290 0.000 0.788 368 E HN 0.340 nan 8.360 nan 0.000 0.521 369 L N -0.405 120.830 121.223 0.020 0.000 2.463 369 L HA 0.271 4.611 4.340 -0.000 0.000 0.219 369 L C 1.318 178.212 176.870 0.041 0.000 1.088 369 L CA 0.425 55.297 54.840 0.052 0.000 0.849 369 L CB 0.134 42.123 42.059 -0.117 0.000 1.012 369 L HN 0.342 nan 8.230 nan 0.000 0.468 370 G N 0.752 109.576 108.800 0.040 0.000 2.140 370 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.211 370 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.211 370 G C 0.183 175.087 174.900 0.006 0.000 1.013 370 G CA -0.303 44.831 45.100 0.056 0.000 0.705 370 G HN 0.127 nan 8.290 nan 0.000 0.508 371 M N 1.119 120.702 119.600 -0.028 0.000 2.250 371 M HA 0.393 4.873 4.480 -0.000 0.000 0.325 371 M C 1.388 177.694 176.300 0.009 0.000 1.084 371 M CA 1.369 56.640 55.300 -0.048 0.000 1.161 371 M CB 0.500 33.037 32.600 -0.106 0.000 1.481 371 M HN 0.577 nan 8.290 nan 0.000 0.449 372 T N -0.874 113.679 114.554 -0.002 0.000 2.841 372 T HA 0.458 4.808 4.350 -0.000 0.000 0.276 372 T C 0.058 174.773 174.700 0.025 0.000 1.003 372 T CA -1.195 60.915 62.100 0.017 0.000 0.995 372 T CB 0.850 69.711 68.868 -0.010 0.000 1.260 372 T HN 0.536 nan 8.240 nan 0.000 0.581 373 N N 0.163 118.883 118.700 0.034 0.000 2.371 373 N HA 0.200 4.940 4.740 -0.000 0.000 0.243 373 N C -1.074 174.420 175.510 -0.028 0.000 1.287 373 N CA -0.192 52.889 53.050 0.053 0.000 0.911 373 N CB -0.095 38.441 38.487 0.082 0.000 1.142 373 N HN 0.701 nan 8.380 nan 0.000 0.451 374 Y N 1.942 122.086 120.300 -0.260 0.000 2.310 374 Y HA 0.326 4.876 4.550 -0.000 0.000 0.326 374 Y C -1.905 173.625 175.900 -0.617 0.000 1.151 374 Y CA -2.093 55.678 58.100 -0.548 0.000 1.195 374 Y CB 1.205 39.102 38.460 -0.938 0.000 1.210 374 Y HN 0.429 nan 8.280 nan 0.000 0.483 375 P HA 0.073 nan 4.420 nan 0.000 0.244 375 P C -1.112 175.817 177.300 -0.619 0.000 1.769 375 P CA 0.186 62.868 63.100 -0.697 0.000 1.102 375 P CB -0.849 30.503 31.700 -0.581 0.000 1.937 376 F N 2.418 122.292 119.950 -0.128 0.000 2.529 376 F HA 0.085 4.612 4.527 -0.000 0.000 0.365 376 F C 1.837 177.633 175.800 -0.007 0.000 1.102 376 F CA 0.479 58.453 58.000 -0.044 0.000 1.271 376 F CB 0.547 39.430 39.000 -0.196 0.000 1.120 376 F HN 0.070 nan 8.300 nan 0.000 0.579 377 K N 0.371 120.887 120.400 0.193 0.000 2.387 377 K HA 0.136 4.456 4.320 -0.000 0.000 0.197 377 K C 0.470 177.166 176.600 0.161 0.000 1.127 377 K CA 0.650 57.016 56.287 0.133 0.000 0.950 377 K CB 0.378 32.918 32.500 0.066 0.000 1.017 377 K HN 0.755 nan 8.250 nan 0.000 0.519 378 T N -2.929 111.741 114.554 0.193 0.000 2.864 378 T HA 0.426 4.775 4.350 -0.000 0.000 0.299 378 T C 1.068 175.931 174.700 0.271 0.000 1.166 378 T CA -0.765 61.444 62.100 0.182 0.000 1.007 378 T CB 1.267 70.204 68.868 0.114 0.000 1.219 378 T HN -0.119 nan 8.240 nan 0.000 0.506 379 L N 0.335 121.690 121.223 0.219 0.000 2.265 379 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 379 L C 2.453 179.463 176.870 0.234 0.000 1.117 379 L CA 1.067 56.049 54.840 0.237 0.000 0.782 379 L CB -0.490 41.579 42.059 0.016 0.000 0.914 379 L HN 0.669 nan 8.230 nan 0.000 0.441 380 Q N -0.498 119.379 119.800 0.128 0.000 2.369 380 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 380 Q C 1.448 177.500 176.000 0.086 0.000 0.963 380 Q CA 0.834 56.681 55.803 0.073 0.000 0.894 380 Q CB -0.181 28.578 28.738 0.035 0.000 0.965 380 Q HN 0.344 nan 8.270 nan 0.000 0.475 381 D N -0.822 119.644 120.400 0.111 0.000 2.371 381 D HA -0.031 4.609 4.640 -0.000 0.000 0.221 381 D C -0.505 175.724 176.300 -0.118 0.000 0.986 381 D CA 0.402 54.415 54.000 0.022 0.000 0.899 381 D CB 0.105 40.978 40.800 0.122 0.000 0.902 381 D HN 0.150 nan 8.370 nan 0.000 0.530 382 F N -0.043 119.894 119.950 -0.021 0.000 2.399 382 F HA 0.187 4.714 4.527 -0.000 0.000 0.334 382 F C 1.508 177.269 175.800 -0.065 0.000 1.097 382 F CA -0.885 57.043 58.000 -0.120 0.000 1.076 382 F CB 1.600 40.443 39.000 -0.262 0.000 1.162 382 F HN -0.293 nan 8.300 nan 0.000 0.495 383 D N -0.109 120.375 120.400 0.140 0.000 2.431 383 D HA -0.071 4.569 4.640 -0.000 0.000 0.227 383 D C 0.154 176.526 176.300 0.121 0.000 1.030 383 D CA 0.057 54.147 54.000 0.149 0.000 0.897 383 D CB 0.076 41.041 40.800 0.273 0.000 1.058 383 D HN 0.411 nan 8.370 nan 0.000 0.500 384 D N 0.961 121.428 120.400 0.111 0.000 2.662 384 D HA -0.141 4.499 4.640 -0.000 0.000 0.233 384 D C 1.399 177.604 176.300 -0.159 0.000 1.129 384 D CA 0.181 54.176 54.000 -0.009 0.000 0.851 384 D CB 0.393 41.175 40.800 -0.030 0.000 1.152 384 D HN 0.371 nan 8.370 nan 0.000 0.507 385 I N 3.209 123.626 120.570 -0.254 0.000 2.361 385 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 385 I C 1.912 177.681 176.117 -0.580 0.000 1.133 385 I CA 1.203 62.282 61.300 -0.368 0.000 1.413 385 I CB 0.051 37.807 38.000 -0.407 0.000 1.073 385 I HN 0.562 nan 8.210 nan 0.000 0.424 386 E N 0.132 119.863 120.200 -0.780 0.000 2.153 386 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 386 E C 2.128 178.215 176.600 -0.855 0.000 0.988 386 E CA 1.538 57.435 56.400 -0.838 0.000 0.811 386 E CB 0.107 29.419 29.700 -0.647 0.000 0.746 386 E HN 0.455 nan 8.360 nan 0.000 0.466 387 V N 1.268 120.857 119.914 -0.542 0.000 2.427 387 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 387 V C 2.174 178.123 176.094 -0.242 0.000 1.051 387 V CA 1.850 63.917 62.300 -0.388 0.000 1.048 387 V CB -0.372 31.215 31.823 -0.394 0.000 0.666 387 V HN 0.223 nan 8.190 nan 0.000 0.456 388 K N 0.394 120.665 120.400 -0.215 0.000 2.147 388 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 388 K C 2.235 178.827 176.600 -0.014 0.000 1.049 388 K CA 1.355 57.584 56.287 -0.097 0.000 0.936 388 K CB -0.531 31.905 32.500 -0.106 0.000 0.722 388 K HN 0.559 nan 8.250 nan 0.000 0.446 389 G N 0.878 109.600 108.800 -0.129 0.000 2.408 389 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 389 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 389 G C 1.180 176.136 174.900 0.094 0.000 1.150 389 G CA 0.388 45.468 45.100 -0.033 0.000 0.776 389 G HN 0.096 nan 8.290 nan 0.000 0.542 390 F N 0.062 120.028 119.950 0.026 0.000 2.171 390 F HA 0.125 4.652 4.527 -0.000 0.000 0.300 390 F C 2.198 177.985 175.800 -0.020 0.000 1.090 390 F CA -0.172 57.812 58.000 -0.025 0.000 1.293 390 F CB -1.066 37.672 39.000 -0.437 0.000 1.013 390 F HN 0.169 nan 8.300 nan 0.000 0.486 391 F N 0.887 120.842 119.950 0.009 0.000 2.134 391 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 391 F C 2.645 178.445 175.800 0.000 0.000 1.097 391 F CA 1.919 59.894 58.000 -0.042 0.000 1.264 391 F CB -0.532 38.424 39.000 -0.073 0.000 1.001 391 F HN 0.013 nan 8.300 nan 0.000 0.479 392 Q N -0.066 119.839 119.800 0.175 0.000 2.046 392 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 392 Q C 1.521 177.499 176.000 -0.037 0.000 0.975 392 Q CA 1.985 57.834 55.803 0.077 0.000 0.836 392 Q CB -0.186 28.610 28.738 0.097 0.000 0.896 392 Q HN 0.351 nan 8.270 nan 0.000 0.428 393 D N -1.161 119.219 120.400 -0.033 0.000 2.234 393 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 393 D C 0.871 176.870 176.300 -0.502 0.000 0.962 393 D CA 1.012 54.858 54.000 -0.256 0.000 0.855 393 D CB 0.144 40.768 40.800 -0.293 0.000 0.951 393 D HN 0.392 nan 8.370 nan 0.000 0.500 394 Y N -0.949 119.318 120.300 -0.054 0.000 2.526 394 Y HA 0.134 4.684 4.550 0.000 0.000 0.265 394 Y C 2.079 177.869 175.900 -0.182 0.000 1.092 394 Y CA -0.048 58.015 58.100 -0.062 0.000 1.277 394 Y CB 0.424 38.870 38.460 -0.025 0.000 1.228 394 Y HN -0.218 nan 8.280 nan 0.000 0.507 395 V N -0.055 119.700 119.914 -0.266 0.000 2.436 395 V HA -0.107 4.013 4.120 -0.000 0.000 0.240 395 V C 1.683 177.518 176.094 -0.431 0.000 1.040 395 V CA 1.487 63.495 62.300 -0.487 0.000 1.052 395 V CB -0.313 30.818 31.823 -1.153 0.000 0.707 395 V HN 0.261 nan 8.190 nan 0.000 0.469 396 E N 0.976 120.894 120.200 -0.470 0.000 2.265 396 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 396 E C 1.970 178.489 176.600 -0.136 0.000 0.996 396 E CA 1.688 57.944 56.400 -0.240 0.000 0.832 396 E CB -0.193 29.430 29.700 -0.129 0.000 0.756 396 E HN 0.783 nan 8.360 nan 0.000 0.491 397 T N -3.272 111.200 114.554 -0.136 0.000 3.107 397 T HA 0.270 4.620 4.350 -0.000 0.000 0.249 397 T C 1.526 176.190 174.700 -0.061 0.000 1.096 397 T CA 0.318 62.362 62.100 -0.092 0.000 1.012 397 T CB 0.601 69.401 68.868 -0.113 0.000 0.977 397 T HN 0.244 nan 8.240 nan 0.000 0.527 398 G N 1.879 110.640 108.800 -0.065 0.000 2.184 398 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 398 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 398 G C 0.859 175.767 174.900 0.013 0.000 0.975 398 G CA 0.543 45.626 45.100 -0.029 0.000 0.642 398 G HN 0.563 nan 8.290 nan 0.000 0.536 399 K N 0.037 120.464 120.400 0.044 0.000 2.217 399 K HA 0.417 4.737 4.320 -0.000 0.000 0.202 399 K C 1.180 177.888 176.600 0.180 0.000 1.051 399 K CA 1.218 57.583 56.287 0.131 0.000 0.952 399 K CB 0.085 32.722 32.500 0.229 0.000 0.736 399 K HN 0.935 nan 8.250 nan 0.000 0.453 400 A N 0.506 123.413 122.820 0.146 0.000 2.606 400 A HA 0.382 4.702 4.320 -0.000 0.000 0.293 400 A C -0.529 177.079 177.584 0.039 0.000 1.082 400 A CA -0.888 51.240 52.037 0.151 0.000 0.685 400 A CB 1.112 20.295 19.000 0.305 0.000 1.284 400 A HN 0.113 nan 8.150 nan 0.000 0.408 401 T N -1.000 113.582 114.554 0.047 0.000 2.874 401 T HA 0.574 4.924 4.350 -0.000 0.000 0.281 401 T C 1.387 176.091 174.700 0.007 0.000 0.994 401 T CA 0.219 62.329 62.100 0.016 0.000 1.015 401 T CB 1.349 70.242 68.868 0.041 0.000 1.028 401 T HN 1.805 nan 8.240 nan 0.000 0.523 402 A N 0.294 123.133 122.820 0.031 0.000 1.940 402 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 402 A C 2.268 179.893 177.584 0.069 0.000 1.176 402 A CA 2.026 54.121 52.037 0.096 0.000 0.631 402 A CB -1.154 17.963 19.000 0.195 0.000 0.814 402 A HN 1.047 nan 8.150 nan 0.000 0.446 403 E N -0.189 120.052 120.200 0.068 0.000 2.106 403 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 403 E C 1.876 178.516 176.600 0.067 0.000 0.984 403 E CA 1.316 57.757 56.400 0.069 0.000 0.806 403 E CB -0.136 29.604 29.700 0.066 0.000 0.750 403 E HN 0.761 nan 8.360 nan 0.000 0.458 404 E N 0.249 120.495 120.200 0.076 0.000 2.106 404 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 404 E C 2.139 178.815 176.600 0.126 0.000 0.984 404 E CA 0.798 57.271 56.400 0.122 0.000 0.806 404 E CB -0.086 29.719 29.700 0.175 0.000 0.750 404 E HN 0.214 nan 8.360 nan 0.000 0.458 405 L N 1.219 122.430 121.223 -0.019 0.000 2.017 405 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 405 L C 2.214 178.989 176.870 -0.158 0.000 1.073 405 L CA 1.386 56.057 54.840 -0.282 0.000 0.745 405 L CB -0.659 41.152 42.059 -0.414 0.000 0.894 405 L HN 0.144 nan 8.230 nan 0.000 0.432 406 L N -0.751 120.435 121.223 -0.061 0.000 1.990 406 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 406 L C 2.330 179.247 176.870 0.079 0.000 1.072 406 L CA 2.669 57.519 54.840 0.016 0.000 0.755 406 L CB -1.324 40.798 42.059 0.105 0.000 0.889 406 L HN 0.363 nan 8.230 nan 0.000 0.432 407 T N 0.216 114.819 114.554 0.081 0.000 2.759 407 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 407 T C 1.718 176.463 174.700 0.074 0.000 1.042 407 T CA 1.691 63.845 62.100 0.090 0.000 1.140 407 T CB -0.319 68.596 68.868 0.078 0.000 0.864 407 T HN 0.456 nan 8.240 nan 0.000 0.455 408 N N 0.332 119.063 118.700 0.052 0.000 2.258 408 N HA 0.034 4.774 4.740 -0.000 0.000 0.183 408 N C 1.963 177.478 175.510 0.008 0.000 1.029 408 N CA 0.554 53.608 53.050 0.005 0.000 0.857 408 N CB -0.572 37.856 38.487 -0.099 0.000 1.008 408 N HN 0.124 nan 8.380 nan 0.000 0.433 409 V N 2.167 122.069 119.914 -0.020 0.000 2.720 409 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 409 V C 2.189 178.293 176.094 0.016 0.000 1.082 409 V CA 1.598 63.848 62.300 -0.083 0.000 1.101 409 V CB -0.718 30.914 31.823 -0.319 0.000 0.693 409 V HN 0.263 nan 8.190 nan 0.000 0.479 410 A N -0.465 122.439 122.820 0.140 0.000 2.019 410 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 410 A C 1.984 179.742 177.584 0.290 0.000 1.164 410 A CA 1.744 54.000 52.037 0.364 0.000 0.644 410 A CB -0.365 18.868 19.000 0.388 0.000 0.805 410 A HN 0.590 nan 8.150 nan 0.000 0.449 411 L N -0.634 120.679 121.223 0.151 0.000 2.567 411 L HA 0.032 4.372 4.340 -0.000 0.000 0.225 411 L C 2.158 179.048 176.870 0.034 0.000 1.119 411 L CA 1.216 56.113 54.840 0.094 0.000 0.871 411 L CB -0.047 42.042 42.059 0.050 0.000 1.036 411 L HN 0.618 nan 8.230 nan 0.000 0.459 412 T N -6.376 108.206 114.554 0.046 0.000 2.954 412 T HA 0.066 4.415 4.350 -0.000 0.000 0.252 412 T C 0.964 175.698 174.700 0.056 0.000 0.983 412 T CA -0.068 62.036 62.100 0.006 0.000 0.941 412 T CB 0.159 69.029 68.868 0.003 0.000 1.141 412 T HN 0.018 nan 8.240 nan 0.000 0.500 413 S N 1.321 117.084 115.700 0.106 0.000 2.561 413 S HA 0.049 4.518 4.470 -0.000 0.000 0.294 413 S C 1.492 176.154 174.600 0.104 0.000 1.294 413 S CA -0.353 57.916 58.200 0.116 0.000 1.055 413 S CB 0.390 63.687 63.200 0.162 0.000 0.819 413 S HN 0.481 nan 8.310 nan 0.000 0.503 414 R N 2.466 122.997 120.500 0.053 0.000 2.189 414 R HA -0.065 4.275 4.340 -0.000 0.000 0.223 414 R C 1.023 177.355 176.300 0.053 0.000 1.092 414 R CA 1.287 57.384 56.100 -0.005 0.000 0.989 414 R CB -0.271 29.992 30.300 -0.061 0.000 0.876 414 R HN 0.623 nan 8.270 nan 0.000 0.457 415 D N 0.553 121.038 120.400 0.143 0.000 2.310 415 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 415 D C 1.323 177.775 176.300 0.253 0.000 0.965 415 D CA 0.690 54.808 54.000 0.197 0.000 0.879 415 D CB -0.233 40.699 40.800 0.221 0.000 0.921 415 D HN 0.170 nan 8.370 nan 0.000 0.510 416 N N 0.479 119.362 118.700 0.305 0.000 2.289 416 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 416 N C 1.418 177.006 175.510 0.130 0.000 1.016 416 N CA 0.877 54.081 53.050 0.256 0.000 0.872 416 N CB 0.127 38.761 38.487 0.244 0.000 0.973 416 N HN 0.129 nan 8.380 nan 0.000 0.433 417 A N 0.235 123.108 122.820 0.089 0.000 2.308 417 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 417 A C 1.731 179.432 177.584 0.195 0.000 1.216 417 A CA 0.010 52.123 52.037 0.128 0.000 0.864 417 A CB 0.198 19.105 19.000 -0.154 0.000 0.902 417 A HN 0.140 nan 8.150 nan 0.000 0.499 418 R N 0.446 120.998 120.500 0.087 0.000 2.362 418 R HA 0.076 4.416 4.340 -0.000 0.000 0.227 418 R C 0.241 176.570 176.300 0.048 0.000 0.905 418 R CA 0.575 56.751 56.100 0.127 0.000 1.067 418 R CB 0.074 30.514 30.300 0.234 0.000 1.078 418 R HN 0.517 nan 8.270 nan 0.000 0.516 419 T N 0.105 114.598 114.554 -0.103 0.000 2.919 419 T HA 0.205 4.555 4.350 -0.000 0.000 0.302 419 T C -2.386 172.166 174.700 -0.247 0.000 1.031 419 T CA -1.831 60.094 62.100 -0.291 0.000 1.127 419 T CB 1.017 69.708 68.868 -0.295 0.000 0.952 419 T HN -0.185 nan 8.240 nan 0.000 0.540 420 P HA 0.001 nan 4.420 nan 0.000 0.263 420 P C -0.272 176.825 177.300 -0.339 0.000 1.168 420 P CA -0.133 62.566 63.100 -0.669 0.000 0.759 420 P CB 0.061 31.130 31.700 -1.052 0.000 0.782 421 F N 3.353 123.081 119.950 -0.370 0.000 2.602 421 F HA -0.013 4.513 4.527 -0.000 0.000 0.367 421 F C 0.778 176.283 175.800 -0.492 0.000 1.126 421 F CA 0.419 58.171 58.000 -0.413 0.000 1.321 421 F CB 0.363 39.025 39.000 -0.562 0.000 1.094 421 F HN 0.300 nan 8.300 nan 0.000 0.594 422 Q N 6.068 125.384 119.800 -0.806 0.000 2.509 422 Q HA 0.076 4.416 4.340 -0.000 0.000 0.230 422 Q C -0.098 175.698 176.000 -0.340 0.000 1.089 422 Q CA -0.208 55.344 55.803 -0.419 0.000 0.901 422 Q CB 0.448 29.012 28.738 -0.292 0.000 1.208 422 Q HN 0.890 nan 8.270 nan 0.000 0.529 423 W N 1.870 123.244 121.300 0.123 0.000 2.407 423 W HA -0.136 4.524 4.660 -0.000 0.000 0.305 423 W C 0.602 177.131 176.519 0.017 0.000 1.196 423 W CA 0.896 58.292 57.345 0.085 0.000 1.311 423 W CB 0.375 29.835 29.460 -0.000 0.000 1.135 423 W HN 0.601 nan 8.180 nan 0.000 0.514 424 D N -2.669 117.877 120.400 0.244 0.000 2.825 424 D HA 0.051 4.691 4.640 -0.000 0.000 0.327 424 D C -0.562 175.861 176.300 0.205 0.000 1.277 424 D CA -0.390 53.713 54.000 0.171 0.000 0.950 424 D CB 0.048 40.929 40.800 0.136 0.000 1.438 424 D HN -0.113 nan 8.370 nan 0.000 0.526 425 D N -0.995 119.525 120.400 0.199 0.000 2.395 425 D HA 0.166 4.806 4.640 -0.000 0.000 0.226 425 D C 0.221 176.697 176.300 0.294 0.000 1.146 425 D CA -0.337 53.852 54.000 0.315 0.000 0.830 425 D CB -0.299 40.593 40.800 0.154 0.000 0.958 425 D HN 0.425 nan 8.370 nan 0.000 0.501 426 S N -0.493 115.308 115.700 0.169 0.000 2.652 426 S HA 0.563 5.033 4.470 -0.000 0.000 0.267 426 S C 0.775 175.414 174.600 0.065 0.000 1.201 426 S CA -0.590 57.672 58.200 0.102 0.000 0.996 426 S CB 0.571 63.801 63.200 0.051 0.000 1.054 426 S HN 0.357 nan 8.310 nan 0.000 0.561 427 A N 1.353 124.191 122.820 0.031 0.000 2.566 427 A HA 0.209 4.528 4.320 -0.000 0.000 0.245 427 A C 0.746 178.268 177.584 -0.104 0.000 1.056 427 A CA 0.079 52.111 52.037 -0.009 0.000 0.757 427 A CB -1.309 17.692 19.000 0.002 0.000 0.979 427 A HN 0.930 nan 8.150 nan 0.000 0.508 428 N N 0.715 119.273 118.700 -0.238 0.000 2.727 428 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 428 N C 0.708 176.003 175.510 -0.359 0.000 1.048 428 N CA 1.681 54.542 53.050 -0.315 0.000 0.714 428 N CB -1.470 36.985 38.487 -0.053 0.000 0.959 428 N HN 1.991 nan 8.380 nan 0.000 0.544 429 A N -2.006 120.391 122.820 -0.705 0.000 2.829 429 A HA -0.120 4.200 4.320 -0.000 0.000 0.267 429 A C 1.686 179.302 177.584 0.054 0.000 1.370 429 A CA 2.104 53.941 52.037 -0.333 0.000 0.900 429 A CB -1.848 16.971 19.000 -0.303 0.000 1.044 429 A HN 2.007 nan 8.150 nan 0.000 0.691 430 G N -3.164 105.668 108.800 0.053 0.000 2.155 430 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 430 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 430 G C 0.631 175.656 174.900 0.208 0.000 0.983 430 G CA 1.212 46.381 45.100 0.115 0.000 0.676 430 G HN 1.982 nan 8.290 nan 0.000 0.528 431 F N 0.986 121.015 119.950 0.132 0.000 2.234 431 F HA 0.422 4.949 4.527 -0.000 0.000 0.296 431 F C 1.144 176.982 175.800 0.065 0.000 1.089 431 F CA 2.001 60.116 58.000 0.192 0.000 1.343 431 F CB 0.393 39.481 39.000 0.148 0.000 1.040 431 F HN 0.317 nan 8.300 nan 0.000 0.498 432 T N -1.396 113.038 114.554 -0.200 0.000 2.868 432 T HA 0.312 4.662 4.350 -0.000 0.000 0.306 432 T C 0.547 175.174 174.700 -0.121 0.000 1.224 432 T CA 0.033 61.946 62.100 -0.310 0.000 1.012 432 T CB 1.397 70.069 68.868 -0.327 0.000 1.221 432 T HN 0.131 nan 8.240 nan 0.000 0.499 433 T N -0.160 114.323 114.554 -0.118 0.000 3.086 433 T HA 0.426 4.775 4.350 -0.000 0.000 0.250 433 T C 1.049 175.724 174.700 -0.043 0.000 1.074 433 T CA 0.461 62.520 62.100 -0.069 0.000 0.988 433 T CB 0.106 68.932 68.868 -0.070 0.000 0.988 433 T HN 0.694 nan 8.240 nan 0.000 0.530 434 G N 0.586 109.361 108.800 -0.041 0.000 3.039 434 G HA2 0.521 4.481 3.960 -0.000 0.000 0.159 434 G HA3 0.521 4.481 3.960 -0.000 0.000 0.159 434 G C -1.187 173.725 174.900 0.021 0.000 1.284 434 G CA -1.009 44.086 45.100 -0.009 0.000 0.996 434 G HN 0.357 nan 8.290 nan 0.000 0.592 435 K N 2.004 122.429 120.400 0.043 0.000 2.263 435 K HA 0.341 4.661 4.320 -0.000 0.000 0.272 435 K C -2.242 174.429 176.600 0.119 0.000 1.033 435 K CA -1.801 54.523 56.287 0.062 0.000 0.884 435 K CB 1.421 33.949 32.500 0.048 0.000 1.107 435 K HN 0.173 nan 8.250 nan 0.000 0.460 436 P HA -0.121 nan 4.420 nan 0.000 0.266 436 P C 0.821 178.215 177.300 0.156 0.000 1.195 436 P CA -0.129 63.123 63.100 0.253 0.000 0.768 436 P CB 0.297 32.085 31.700 0.147 0.000 0.838 437 W N 3.986 125.380 121.300 0.158 0.000 2.392 437 W HA 0.043 4.703 4.660 -0.000 0.000 0.279 437 W C -0.775 175.766 176.519 0.037 0.000 1.225 437 W CA 0.284 57.684 57.345 0.092 0.000 1.233 437 W CB -0.773 28.758 29.460 0.118 0.000 1.122 437 W HN 0.136 nan 8.180 nan 0.000 0.561 438 L N 1.860 122.468 121.223 -1.026 0.000 2.436 438 L HA 0.432 4.772 4.340 -0.000 0.000 0.268 438 L C -0.090 176.365 176.870 -0.690 0.000 0.974 438 L CA -1.434 52.764 54.840 -1.069 0.000 0.826 438 L CB 1.790 42.770 42.059 -1.798 0.000 1.291 438 L HN -0.230 nan 8.230 nan 0.000 0.406 439 K N 2.855 122.928 120.400 -0.545 0.000 2.489 439 K HA 0.228 4.548 4.320 -0.000 0.000 0.278 439 K C -0.590 175.758 176.600 -0.421 0.000 1.000 439 K CA -0.233 55.815 56.287 -0.398 0.000 1.012 439 K CB 0.574 32.900 32.500 -0.291 0.000 0.903 439 K HN 0.433 nan 8.250 nan 0.000 0.485 440 V N 3.297 123.091 119.914 -0.200 0.000 2.686 440 V HA -0.044 4.076 4.120 -0.000 0.000 0.295 440 V C 0.734 176.891 176.094 0.105 0.000 1.055 440 V CA -0.606 61.617 62.300 -0.128 0.000 1.050 440 V CB 0.950 32.674 31.823 -0.164 0.000 0.984 440 V HN 0.739 nan 8.190 nan 0.000 0.482 441 N N 5.223 124.006 118.700 0.139 0.000 2.475 441 N HA 0.109 4.848 4.740 -0.000 0.000 0.267 441 N C -1.731 173.884 175.510 0.174 0.000 1.169 441 N CA -1.431 51.735 53.050 0.193 0.000 0.947 441 N CB 1.682 40.221 38.487 0.086 0.000 1.061 441 N HN 0.303 nan 8.380 nan 0.000 0.466 442 P HA -0.134 nan 4.420 nan 0.000 0.220 442 P C 0.431 177.663 177.300 -0.114 0.000 1.144 442 P CA 1.117 64.231 63.100 0.024 0.000 0.800 442 P CB 0.070 31.723 31.700 -0.078 0.000 0.772 443 N N -0.645 118.000 118.700 -0.090 0.000 2.567 443 N HA -0.177 4.563 4.740 -0.000 0.000 0.195 443 N C 1.253 176.697 175.510 -0.111 0.000 1.242 443 N CA 0.276 53.250 53.050 -0.127 0.000 0.884 443 N CB -1.657 36.770 38.487 -0.100 0.000 1.007 443 N HN 0.338 nan 8.380 nan 0.000 0.450 444 Y N -0.183 120.073 120.300 -0.073 0.000 2.421 444 Y HA -0.048 4.502 4.550 -0.000 0.000 0.292 444 Y C 2.072 177.940 175.900 -0.053 0.000 1.136 444 Y CA 1.137 59.193 58.100 -0.074 0.000 1.255 444 Y CB -1.296 37.127 38.460 -0.061 0.000 0.991 444 Y HN 0.140 nan 8.280 nan 0.000 0.552 445 T N -2.636 111.498 114.554 -0.701 0.000 2.929 445 T HA -0.114 4.235 4.350 -0.000 0.000 0.271 445 T C 1.150 175.737 174.700 -0.189 0.000 1.085 445 T CA 1.652 63.465 62.100 -0.479 0.000 1.125 445 T CB -0.188 68.372 68.868 -0.512 0.000 0.874 445 T HN 0.419 nan 8.240 nan 0.000 0.494 446 E N 0.438 120.546 120.200 -0.153 0.000 2.290 446 E HA 0.404 4.754 4.350 -0.000 0.000 0.199 446 E C 0.353 176.922 176.600 -0.052 0.000 0.912 446 E CA 0.157 56.504 56.400 -0.088 0.000 0.924 446 E CB 0.405 30.050 29.700 -0.092 0.000 0.901 446 E HN 0.548 nan 8.360 nan 0.000 0.487 447 I N 2.773 123.311 120.570 -0.052 0.000 2.307 447 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 447 I C -0.844 175.245 176.117 -0.046 0.000 1.054 447 I CA -0.692 60.581 61.300 -0.044 0.000 1.218 447 I CB 0.110 38.074 38.000 -0.060 0.000 1.398 447 I HN 0.056 nan 8.210 nan 0.000 0.475 448 N N 3.991 122.670 118.700 -0.036 0.000 2.504 448 N HA 0.455 5.195 4.740 -0.000 0.000 0.268 448 N C 0.106 175.603 175.510 -0.022 0.000 1.184 448 N CA -0.603 52.419 53.050 -0.046 0.000 0.875 448 N CB 1.392 39.910 38.487 0.050 0.000 1.630 448 N HN 0.281 nan 8.380 nan 0.000 0.486 449 A N 1.325 124.126 122.820 -0.031 0.000 1.892 449 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 449 A C 2.178 179.779 177.584 0.028 0.000 1.188 449 A CA 2.574 54.627 52.037 0.026 0.000 0.631 449 A CB -1.553 17.488 19.000 0.068 0.000 0.822 449 A HN 1.016 nan 8.150 nan 0.000 0.447 450 A N -0.661 122.199 122.820 0.068 0.000 1.908 450 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 450 A C 2.284 179.887 177.584 0.031 0.000 1.181 450 A CA 1.925 53.993 52.037 0.052 0.000 0.627 450 A CB -0.496 18.545 19.000 0.069 0.000 0.818 450 A HN 0.561 nan 8.150 nan 0.000 0.445 451 R N -0.393 120.128 120.500 0.034 0.000 2.115 451 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 451 R C 1.804 178.128 176.300 0.039 0.000 1.100 451 R CA 1.454 57.573 56.100 0.032 0.000 0.980 451 R CB -0.118 30.197 30.300 0.026 0.000 0.875 451 R HN 0.705 nan 8.270 nan 0.000 0.445 452 E N -0.043 120.182 120.200 0.041 0.000 2.250 452 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 452 E C 1.954 178.594 176.600 0.067 0.000 0.986 452 E CA 0.550 57.003 56.400 0.087 0.000 0.849 452 E CB 0.125 29.916 29.700 0.152 0.000 0.797 452 E HN 0.367 nan 8.360 nan 0.000 0.482 453 I N 1.177 121.687 120.570 -0.099 0.000 2.286 453 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 453 I C 2.353 178.492 176.117 0.037 0.000 1.115 453 I CA 1.325 62.508 61.300 -0.195 0.000 1.392 453 I CB -0.316 37.542 38.000 -0.235 0.000 1.065 453 I HN 0.129 nan 8.210 nan 0.000 0.418 454 G N -0.482 108.346 108.800 0.046 0.000 2.880 454 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.209 454 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.209 454 G C 0.194 175.146 174.900 0.087 0.000 1.157 454 G CA -0.012 45.128 45.100 0.067 0.000 0.779 454 G HN 0.263 nan 8.290 nan 0.000 0.539 455 D N 0.304 120.767 120.400 0.105 0.000 2.373 455 D HA 0.271 4.911 4.640 -0.000 0.000 0.227 455 D C -1.112 175.276 176.300 0.147 0.000 1.091 455 D CA -2.598 51.468 54.000 0.109 0.000 0.840 455 D CB 2.072 42.927 40.800 0.092 0.000 1.060 455 D HN -0.030 nan 8.370 nan 0.000 0.502 456 P HA -0.127 nan 4.420 nan 0.000 0.226 456 P C 0.391 177.779 177.300 0.147 0.000 1.146 456 P CA 0.844 64.028 63.100 0.139 0.000 0.773 456 P CB 0.362 32.125 31.700 0.105 0.000 0.772 457 K N -0.131 120.345 120.400 0.127 0.000 2.358 457 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 457 K C 1.240 177.913 176.600 0.123 0.000 1.025 457 K CA -0.032 56.322 56.287 0.112 0.000 1.104 457 K CB 0.255 32.797 32.500 0.070 0.000 0.855 457 K HN 0.184 nan 8.250 nan 0.000 0.531 458 S N -0.207 115.590 115.700 0.163 0.000 2.596 458 S HA 0.031 4.501 4.470 -0.000 0.000 0.260 458 S C 1.570 176.313 174.600 0.239 0.000 1.336 458 S CA -0.757 57.552 58.200 0.183 0.000 0.993 458 S CB 1.110 64.444 63.200 0.222 0.000 0.923 458 S HN -0.115 nan 8.310 nan 0.000 0.567 459 V N 1.187 121.243 119.914 0.238 0.000 2.358 459 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 459 V C 2.051 178.412 176.094 0.445 0.000 1.047 459 V CA 2.194 64.681 62.300 0.312 0.000 1.035 459 V CB -1.560 30.421 31.823 0.263 0.000 0.658 459 V HN 0.934 nan 8.190 nan 0.000 0.452 460 Y N 1.615 122.082 120.300 0.277 0.000 2.114 460 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 460 Y C 2.698 178.770 175.900 0.286 0.000 1.165 460 Y CA 2.101 60.367 58.100 0.277 0.000 1.148 460 Y CB -0.446 38.156 38.460 0.235 0.000 0.972 460 Y HN 0.207 nan 8.280 nan 0.000 0.504 461 S N 0.165 116.053 115.700 0.313 0.000 2.382 461 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 461 S C 1.714 176.383 174.600 0.115 0.000 1.027 461 S CA 1.258 59.562 58.200 0.174 0.000 0.991 461 S CB -0.774 62.591 63.200 0.275 0.000 0.823 461 S HN 0.571 nan 8.310 nan 0.000 0.469 462 F N 1.097 121.085 119.950 0.063 0.000 2.146 462 F HA -0.060 4.466 4.527 -0.000 0.000 0.298 462 F C 1.938 177.720 175.800 -0.029 0.000 1.096 462 F CA 0.998 59.006 58.000 0.014 0.000 1.275 462 F CB -0.535 38.476 39.000 0.017 0.000 1.008 462 F HN 0.146 nan 8.300 nan 0.000 0.480 463 Y N 0.229 120.527 120.300 -0.003 0.000 2.128 463 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 463 Y C 2.849 178.621 175.900 -0.215 0.000 1.154 463 Y CA 2.277 60.323 58.100 -0.091 0.000 1.149 463 Y CB -0.620 37.830 38.460 -0.018 0.000 0.976 463 Y HN -0.045 nan 8.280 nan 0.000 0.505 464 R N 0.540 120.952 120.500 -0.147 0.000 2.091 464 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 464 R C 1.781 177.992 176.300 -0.149 0.000 1.136 464 R CA 2.221 58.196 56.100 -0.208 0.000 0.959 464 R CB -0.439 29.655 30.300 -0.343 0.000 0.856 464 R HN 0.502 nan 8.270 nan 0.000 0.437 465 N N -0.190 118.403 118.700 -0.178 0.000 2.188 465 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 465 N C 1.793 177.142 175.510 -0.269 0.000 1.018 465 N CA 1.091 54.023 53.050 -0.196 0.000 0.858 465 N CB -0.032 38.330 38.487 -0.208 0.000 0.989 465 N HN 0.184 nan 8.380 nan 0.000 0.426 466 L N 0.930 121.919 121.223 -0.391 0.000 2.056 466 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 466 L C 2.148 178.875 176.870 -0.238 0.000 1.078 466 L CA 0.913 55.527 54.840 -0.377 0.000 0.749 466 L CB -0.357 41.419 42.059 -0.471 0.000 0.901 466 L HN 0.206 nan 8.230 nan 0.000 0.433 467 I N -0.972 119.485 120.570 -0.188 0.000 2.208 467 I HA -0.330 3.839 4.170 -0.000 0.000 0.245 467 I C 2.844 178.825 176.117 -0.227 0.000 1.097 467 I CA 1.425 62.597 61.300 -0.213 0.000 1.363 467 I CB -0.332 37.588 38.000 -0.134 0.000 1.051 467 I HN 0.234 nan 8.210 nan 0.000 0.413 468 S N 1.083 116.724 115.700 -0.098 0.000 2.356 468 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 468 S C 2.061 176.646 174.600 -0.026 0.000 1.032 468 S CA 1.327 59.526 58.200 -0.001 0.000 1.005 468 S CB -0.290 62.903 63.200 -0.012 0.000 0.867 468 S HN 0.321 nan 8.310 nan 0.000 0.449 469 I N 1.011 121.523 120.570 -0.098 0.000 2.226 469 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 469 I C 2.829 178.877 176.117 -0.115 0.000 1.100 469 I CA 1.412 62.647 61.300 -0.109 0.000 1.374 469 I CB -0.380 37.526 38.000 -0.157 0.000 1.057 469 I HN 0.324 nan 8.210 nan 0.000 0.413 470 R N 0.408 120.823 120.500 -0.143 0.000 2.073 470 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 470 R C 2.330 178.604 176.300 -0.045 0.000 1.134 470 R CA 1.819 57.840 56.100 -0.132 0.000 0.952 470 R CB -0.391 29.809 30.300 -0.166 0.000 0.850 470 R HN 0.445 nan 8.270 nan 0.000 0.433 471 H N -0.442 118.609 119.070 -0.031 0.000 2.422 471 H HA -0.123 4.432 4.556 -0.000 0.000 0.298 471 H C 1.247 176.559 175.328 -0.027 0.000 1.098 471 H CA 1.572 57.612 56.048 -0.015 0.000 1.315 471 H CB 0.206 29.963 29.762 -0.008 0.000 1.382 471 H HN 0.523 nan 8.280 nan 0.000 0.523 472 E N 0.165 120.413 120.200 0.080 0.000 2.476 472 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 472 E C -0.288 176.299 176.600 -0.020 0.000 1.029 472 E CA 0.124 56.540 56.400 0.026 0.000 0.896 472 E CB 0.727 30.438 29.700 0.018 0.000 1.012 472 E HN 0.048 nan 8.360 nan 0.000 0.475 473 T N 2.604 117.119 114.554 -0.064 0.000 3.141 473 T HA 0.195 4.545 4.350 -0.000 0.000 0.377 473 T C -2.237 172.391 174.700 -0.120 0.000 1.258 473 T CA -1.508 60.498 62.100 -0.158 0.000 1.263 473 T CB 1.596 70.240 68.868 -0.373 0.000 1.066 473 T HN -0.125 nan 8.240 nan 0.000 0.546 474 P HA -0.218 nan 4.420 nan 0.000 0.218 474 P C 1.635 178.931 177.300 -0.005 0.000 1.154 474 P CA 1.138 64.232 63.100 -0.009 0.000 0.872 474 P CB 0.180 31.886 31.700 0.010 0.000 0.790 475 A N -0.894 121.914 122.820 -0.019 0.000 1.978 475 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 475 A C 2.074 179.654 177.584 -0.006 0.000 1.170 475 A CA 1.309 53.361 52.037 0.025 0.000 0.636 475 A CB -1.570 17.502 19.000 0.120 0.000 0.810 475 A HN 0.165 nan 8.150 nan 0.000 0.448 476 L N 0.174 121.331 121.223 -0.111 0.000 2.551 476 L HA -0.088 4.252 4.340 -0.000 0.000 0.228 476 L C 2.478 179.355 176.870 0.012 0.000 1.153 476 L CA 1.094 55.886 54.840 -0.080 0.000 0.851 476 L CB -0.269 41.686 42.059 -0.174 0.000 0.959 476 L HN 0.676 nan 8.230 nan 0.000 0.451 477 S N -2.184 113.551 115.700 0.057 0.000 2.877 477 S HA -0.044 4.426 4.470 -0.000 0.000 0.230 477 S C 1.655 176.411 174.600 0.262 0.000 0.999 477 S CA 0.489 58.777 58.200 0.146 0.000 0.866 477 S CB -0.201 63.081 63.200 0.137 0.000 0.819 477 S HN 0.299 nan 8.310 nan 0.000 0.607 478 T N 0.002 114.673 114.554 0.195 0.000 3.069 478 T HA 0.450 4.800 4.350 -0.000 0.000 0.252 478 T C 0.922 175.732 174.700 0.184 0.000 1.053 478 T CA 0.136 62.380 62.100 0.241 0.000 0.964 478 T CB -0.166 68.719 68.868 0.029 0.000 1.005 478 T HN 0.533 nan 8.240 nan 0.000 0.532 479 G N 1.934 110.819 108.800 0.142 0.000 2.606 479 G HA2 0.438 4.398 3.960 -0.000 0.000 0.252 479 G HA3 0.438 4.398 3.960 -0.000 0.000 0.252 479 G C 0.188 175.171 174.900 0.139 0.000 1.206 479 G CA -0.328 44.845 45.100 0.122 0.000 0.861 479 G HN 0.551 nan 8.290 nan 0.000 0.561 480 S N -0.778 114.992 115.700 0.118 0.000 2.589 480 S HA 0.305 4.775 4.470 -0.000 0.000 0.265 480 S C -0.562 174.134 174.600 0.161 0.000 1.342 480 S CA -0.262 58.008 58.200 0.118 0.000 1.005 480 S CB 0.850 64.095 63.200 0.075 0.000 0.909 480 S HN 0.771 nan 8.310 nan 0.000 0.555 481 Y N 0.772 121.079 120.300 0.011 0.000 2.409 481 Y HA 0.650 5.200 4.550 -0.000 0.000 0.343 481 Y C -0.339 175.568 175.900 0.011 0.000 0.973 481 Y CA -1.122 56.980 58.100 0.004 0.000 1.064 481 Y CB 1.555 39.967 38.460 -0.079 0.000 1.207 481 Y HN 0.928 nan 8.280 nan 0.000 0.452 482 R N 4.916 124.963 120.500 -0.756 0.000 2.510 482 R HA 0.207 4.547 4.340 -0.000 0.000 0.294 482 R C -1.910 174.009 176.300 -0.635 0.000 1.056 482 R CA -0.657 55.086 56.100 -0.596 0.000 0.918 482 R CB 0.979 31.147 30.300 -0.219 0.000 1.187 482 R HN 0.806 nan 8.270 nan 0.000 0.437 483 D N 5.283 125.358 120.400 -0.541 0.000 2.339 483 D HA 0.065 4.705 4.640 -0.000 0.000 0.256 483 D C 1.316 177.597 176.300 -0.032 0.000 1.214 483 D CA -0.088 53.814 54.000 -0.163 0.000 0.877 483 D CB 0.878 41.693 40.800 0.025 0.000 1.111 483 D HN 0.629 nan 8.370 nan 0.000 0.478 484 I N 2.009 122.607 120.570 0.047 0.000 2.361 484 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 484 I C 0.552 176.719 176.117 0.083 0.000 1.133 484 I CA 0.997 62.342 61.300 0.075 0.000 1.413 484 I CB 0.048 38.147 38.000 0.165 0.000 1.073 484 I HN 0.357 nan 8.210 nan 0.000 0.424 485 D N -0.864 119.604 120.400 0.113 0.000 2.362 485 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 485 D C -2.136 174.216 176.300 0.086 0.000 1.329 485 D CA -1.445 52.608 54.000 0.088 0.000 0.944 485 D CB 1.108 41.967 40.800 0.099 0.000 1.471 485 D HN -0.223 nan 8.370 nan 0.000 0.533 486 P HA -0.117 nan 4.420 nan 0.000 0.220 486 P C 1.102 178.412 177.300 0.016 0.000 1.144 486 P CA 1.076 64.199 63.100 0.038 0.000 0.800 486 P CB 0.288 32.001 31.700 0.022 0.000 0.772 487 S N -3.263 112.448 115.700 0.018 0.000 2.524 487 S HA 0.028 4.498 4.470 -0.000 0.000 0.216 487 S C 1.044 175.647 174.600 0.004 0.000 0.987 487 S CA -0.305 57.898 58.200 0.005 0.000 0.909 487 S CB -0.848 62.354 63.200 0.003 0.000 0.781 487 S HN 0.011 nan 8.310 nan 0.000 0.521 488 N N 2.013 120.726 118.700 0.022 0.000 2.468 488 N HA 0.265 5.005 4.740 -0.000 0.000 0.265 488 N C 0.268 175.767 175.510 -0.018 0.000 1.199 488 N CA 0.631 53.694 53.050 0.022 0.000 0.928 488 N CB 1.214 39.745 38.487 0.073 0.000 1.059 488 N HN 0.382 nan 8.380 nan 0.000 0.467 489 A N 2.983 125.783 122.820 -0.034 0.000 2.503 489 A HA 0.182 4.502 4.320 -0.000 0.000 0.263 489 A C 0.521 178.051 177.584 -0.090 0.000 1.258 489 A CA -0.172 51.822 52.037 -0.073 0.000 0.936 489 A CB 0.362 19.331 19.000 -0.051 0.000 1.070 489 A HN 0.637 nan 8.150 nan 0.000 0.522 490 D N -1.166 119.198 120.400 -0.059 0.000 2.716 490 D HA 0.203 4.843 4.640 -0.000 0.000 0.273 490 D C -0.059 176.223 176.300 -0.030 0.000 1.024 490 D CA 0.780 54.744 54.000 -0.061 0.000 0.944 490 D CB 0.610 41.386 40.800 -0.041 0.000 1.186 490 D HN 0.062 nan 8.370 nan 0.000 0.485 491 V N 2.017 121.946 119.914 0.024 0.000 2.407 491 V HA 0.176 4.296 4.120 -0.000 0.000 0.291 491 V C -1.112 175.056 176.094 0.123 0.000 1.018 491 V CA -0.972 61.370 62.300 0.071 0.000 0.842 491 V CB 1.864 33.727 31.823 0.068 0.000 0.996 491 V HN 0.078 nan 8.190 nan 0.000 0.426 492 Y N 4.908 125.210 120.300 0.003 0.000 2.404 492 Y HA 0.683 5.233 4.550 -0.000 0.000 0.344 492 Y C 0.179 176.104 175.900 0.041 0.000 0.995 492 Y CA -1.279 56.846 58.100 0.042 0.000 1.201 492 Y CB 0.797 39.306 38.460 0.081 0.000 1.151 492 Y HN 0.716 nan 8.280 nan 0.000 0.517 493 A N 7.704 130.570 122.820 0.076 0.000 2.374 493 A HA 0.778 5.098 4.320 -0.000 0.000 0.305 493 A C -2.003 175.573 177.584 -0.012 0.000 1.053 493 A CA -0.551 51.348 52.037 -0.230 0.000 0.726 493 A CB 0.912 19.613 19.000 -0.499 0.000 1.229 493 A HN 0.835 nan 8.150 nan 0.000 0.431 494 Y N -1.018 119.126 120.300 -0.260 0.000 2.656 494 Y HA 0.817 5.367 4.550 -0.000 0.000 0.334 494 Y C -0.183 175.629 175.900 -0.146 0.000 1.179 494 Y CA -0.647 57.315 58.100 -0.230 0.000 1.050 494 Y CB 0.830 39.106 38.460 -0.307 0.000 1.308 494 Y HN 0.776 nan 8.280 nan 0.000 0.456 495 T N -0.012 114.548 114.554 0.011 0.000 2.932 495 T HA 0.825 5.175 4.350 -0.000 0.000 0.289 495 T C -0.894 173.874 174.700 0.112 0.000 1.039 495 T CA -1.079 61.034 62.100 0.022 0.000 1.024 495 T CB 1.934 70.803 68.868 0.002 0.000 1.090 495 T HN 0.690 nan 8.240 nan 0.000 0.496 496 R N 1.160 121.750 120.500 0.150 0.000 2.532 496 R HA 0.724 5.064 4.340 -0.000 0.000 0.297 496 R C -1.051 175.360 176.300 0.184 0.000 0.984 496 R CA -0.647 55.562 56.100 0.182 0.000 0.884 496 R CB 1.675 32.086 30.300 0.185 0.000 1.182 496 R HN 0.793 nan 8.270 nan 0.000 0.442 497 S N 1.734 117.518 115.700 0.140 0.000 2.548 497 S HA 0.584 5.054 4.470 -0.000 0.000 0.286 497 S C -1.429 173.236 174.600 0.110 0.000 1.098 497 S CA -0.529 57.748 58.200 0.127 0.000 0.930 497 S CB 1.566 64.810 63.200 0.073 0.000 1.070 497 S HN 0.561 nan 8.310 nan 0.000 0.480 498 Q N 2.386 122.252 119.800 0.110 0.000 2.364 498 Q HA 0.246 4.586 4.340 -0.000 0.000 0.257 498 Q C -1.730 174.313 176.000 0.072 0.000 0.956 498 Q CA -0.377 55.475 55.803 0.082 0.000 0.924 498 Q CB 0.901 29.688 28.738 0.081 0.000 1.413 498 Q HN 0.782 nan 8.270 nan 0.000 0.418 499 D N 3.320 123.748 120.400 0.047 0.000 2.697 499 D HA -0.203 4.437 4.640 -0.000 0.000 0.238 499 D C 0.724 177.046 176.300 0.037 0.000 1.152 499 D CA 1.991 56.013 54.000 0.037 0.000 0.666 499 D CB -1.256 39.565 40.800 0.035 0.000 1.037 499 D HN 1.170 nan 8.370 nan 0.000 0.423 500 G N -0.492 108.326 108.800 0.031 0.000 2.189 500 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 500 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 500 G C 0.046 174.956 174.900 0.017 0.000 0.975 500 G CA 0.630 45.742 45.100 0.019 0.000 0.644 500 G HN 0.454 nan 8.290 nan 0.000 0.537 501 E N 0.936 121.164 120.200 0.046 0.000 2.156 501 E HA 0.539 4.889 4.350 -0.000 0.000 0.279 501 E C -0.407 176.225 176.600 0.054 0.000 0.965 501 E CA -0.041 56.386 56.400 0.046 0.000 0.789 501 E CB 1.547 31.349 29.700 0.169 0.000 1.098 501 E HN 0.170 nan 8.360 nan 0.000 0.397 502 T N 2.912 117.405 114.554 -0.103 0.000 2.848 502 T HA 0.490 4.840 4.350 -0.000 0.000 0.285 502 T C -0.924 173.609 174.700 -0.278 0.000 0.995 502 T CA -0.538 61.526 62.100 -0.060 0.000 0.970 502 T CB 0.469 69.309 68.868 -0.047 0.000 0.976 502 T HN 0.202 nan 8.240 nan 0.000 0.441 503 Y N 1.563 121.869 120.300 0.011 0.000 2.446 503 Y HA 0.695 5.245 4.550 -0.000 0.000 0.345 503 Y C -0.356 175.532 175.900 -0.020 0.000 0.984 503 Y CA -1.367 56.737 58.100 0.005 0.000 1.058 503 Y CB 1.537 39.992 38.460 -0.009 0.000 1.220 503 Y HN 0.461 nan 8.280 nan 0.000 0.455 504 L N 3.348 124.640 121.223 0.115 0.000 2.313 504 L HA 0.792 5.132 4.340 -0.000 0.000 0.283 504 L C -1.408 175.455 176.870 -0.012 0.000 1.013 504 L CA -0.605 54.252 54.840 0.029 0.000 0.816 504 L CB 1.262 43.356 42.059 0.059 0.000 1.236 504 L HN 0.430 nan 8.230 nan 0.000 0.419 505 V N 5.829 125.540 119.914 -0.338 0.000 2.448 505 V HA 0.591 4.711 4.120 -0.000 0.000 0.295 505 V C -0.616 175.159 176.094 -0.532 0.000 1.025 505 V CA -0.604 61.391 62.300 -0.509 0.000 0.859 505 V CB 1.801 32.985 31.823 -1.065 0.000 0.988 505 V HN 0.538 nan 8.190 nan 0.000 0.431 506 V N 5.614 125.370 119.914 -0.264 0.000 2.483 506 V HA 0.557 4.677 4.120 -0.000 0.000 0.297 506 V C -0.560 175.458 176.094 -0.128 0.000 1.027 506 V CA -0.543 61.562 62.300 -0.327 0.000 0.855 506 V CB 2.037 33.630 31.823 -0.384 0.000 0.995 506 V HN 0.599 nan 8.190 nan 0.000 0.424 507 V N 3.713 123.595 119.914 -0.054 0.000 2.443 507 V HA 0.451 4.571 4.120 -0.000 0.000 0.293 507 V C -0.230 175.953 176.094 0.147 0.000 1.021 507 V CA -0.791 61.569 62.300 0.100 0.000 0.848 507 V CB 1.972 33.964 31.823 0.281 0.000 0.998 507 V HN 0.841 nan 8.190 nan 0.000 0.424 508 N N 3.123 121.828 118.700 0.009 0.000 2.408 508 N HA 0.320 5.060 4.740 -0.000 0.000 0.257 508 N C -0.105 175.183 175.510 -0.370 0.000 1.064 508 N CA -0.303 52.692 53.050 -0.092 0.000 0.952 508 N CB 0.709 39.117 38.487 -0.131 0.000 1.093 508 N HN 0.495 nan 8.380 nan 0.000 0.490 509 F N 1.802 121.390 119.950 -0.603 0.000 2.693 509 F HA 0.279 4.806 4.527 -0.000 0.000 0.303 509 F C 0.523 175.539 175.800 -1.306 0.000 1.097 509 F CA 0.036 57.370 58.000 -1.110 0.000 1.330 509 F CB 0.295 38.937 39.000 -0.596 0.000 1.067 509 F HN 0.161 nan 8.300 nan 0.000 0.565 510 K N 0.126 120.039 120.400 -0.813 0.000 2.138 510 K HA 0.549 4.869 4.320 -0.000 0.000 0.263 510 K C 0.344 176.465 176.600 -0.800 0.000 0.965 510 K CA -0.385 55.517 56.287 -0.641 0.000 0.868 510 K CB 1.526 33.830 32.500 -0.327 0.000 1.083 510 K HN -0.106 nan 8.250 nan 0.000 0.443 511 A N 2.700 125.114 122.820 -0.676 0.000 2.543 511 A HA 0.091 4.411 4.320 -0.000 0.000 0.258 511 A C -0.244 177.084 177.584 -0.426 0.000 1.391 511 A CA 0.200 51.758 52.037 -0.798 0.000 1.066 511 A CB -0.383 18.002 19.000 -1.024 0.000 0.972 511 A HN 0.693 nan 8.150 nan 0.000 0.560 512 E N -0.407 119.624 120.200 -0.282 0.000 2.413 512 E HA 0.356 4.706 4.350 -0.000 0.000 0.277 512 E C -3.048 173.500 176.600 -0.086 0.000 0.958 512 E CA -2.459 53.872 56.400 -0.115 0.000 0.779 512 E CB 1.644 31.292 29.700 -0.087 0.000 1.278 512 E HN 0.007 nan 8.360 nan 0.000 0.456 513 P HA 0.108 nan 4.420 nan 0.000 0.268 513 P C -0.889 176.399 177.300 -0.019 0.000 1.205 513 P CA 0.016 63.112 63.100 -0.007 0.000 0.771 513 P CB 0.582 32.293 31.700 0.018 0.000 0.858 514 R N 1.087 121.582 120.500 -0.008 0.000 2.739 514 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 514 R C -0.777 175.544 176.300 0.035 0.000 1.010 514 R CA -0.696 55.406 56.100 0.003 0.000 0.897 514 R CB 1.957 32.250 30.300 -0.013 0.000 1.236 514 R HN 0.340 nan 8.270 nan 0.000 0.466 515 S N 0.794 116.523 115.700 0.048 0.000 2.578 515 S HA 0.693 5.163 4.470 -0.000 0.000 0.301 515 S C -1.302 173.380 174.600 0.137 0.000 1.091 515 S CA -0.528 57.711 58.200 0.066 0.000 1.032 515 S CB 1.403 64.617 63.200 0.022 0.000 1.064 515 S HN 0.425 nan 8.310 nan 0.000 0.508 516 F N 1.604 121.531 119.950 -0.039 0.000 2.562 516 F HA 0.452 4.979 4.527 -0.000 0.000 0.319 516 F C -0.658 175.103 175.800 -0.064 0.000 1.154 516 F CA -0.257 57.715 58.000 -0.047 0.000 0.931 516 F CB 1.395 40.365 39.000 -0.050 0.000 1.198 516 F HN 0.440 nan 8.300 nan 0.000 0.444 517 T N 7.092 121.139 114.554 -0.845 0.000 2.749 517 T HA 0.480 4.829 4.350 -0.000 0.000 0.287 517 T C 0.153 174.267 174.700 -0.976 0.000 0.970 517 T CA -0.539 61.165 62.100 -0.660 0.000 0.980 517 T CB 0.691 69.328 68.868 -0.386 0.000 0.924 517 T HN 0.427 nan 8.240 nan 0.000 0.456 518 L N 4.274 125.136 121.223 -0.602 0.000 2.467 518 L HA 0.246 4.586 4.340 -0.000 0.000 0.270 518 L C -1.853 174.823 176.870 -0.324 0.000 1.205 518 L CA -1.858 52.743 54.840 -0.398 0.000 0.828 518 L CB -0.430 41.503 42.059 -0.209 0.000 1.101 518 L HN 0.313 nan 8.230 nan 0.000 0.479 519 P HA 0.035 nan 4.420 nan 0.000 0.268 519 P C -0.464 176.726 177.300 -0.184 0.000 1.208 519 P CA 0.042 63.044 63.100 -0.163 0.000 0.777 519 P CB 0.226 31.869 31.700 -0.095 0.000 0.875 520 D N 0.701 121.013 120.400 -0.147 0.000 2.487 520 D HA 0.356 4.996 4.640 -0.000 0.000 0.243 520 D C 1.392 177.608 176.300 -0.140 0.000 1.154 520 D CA 0.396 54.313 54.000 -0.137 0.000 0.876 520 D CB -0.631 40.116 40.800 -0.089 0.000 1.161 520 D HN 0.783 nan 8.370 nan 0.000 0.478 521 G N 0.792 109.484 108.800 -0.179 0.000 2.217 521 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.246 521 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.246 521 G C 0.592 175.350 174.900 -0.236 0.000 0.990 521 G CA 0.441 45.460 45.100 -0.135 0.000 0.627 521 G HN 1.047 nan 8.290 nan 0.000 0.522 522 M N 1.779 121.162 119.600 -0.361 0.000 2.264 522 M HA 0.639 5.119 4.480 -0.000 0.000 0.352 522 M C -0.477 175.480 176.300 -0.572 0.000 1.173 522 M CA -0.562 54.550 55.300 -0.314 0.000 1.075 522 M CB 0.729 33.222 32.600 -0.179 0.000 1.621 522 M HN 0.244 nan 8.290 nan 0.000 0.457 523 H N 4.233 123.274 119.070 -0.049 0.000 2.895 523 H HA 0.409 4.965 4.556 -0.000 0.000 0.373 523 H C -0.807 174.490 175.328 -0.052 0.000 1.174 523 H CA -0.769 55.248 56.048 -0.052 0.000 1.144 523 H CB 1.787 31.523 29.762 -0.044 0.000 1.793 523 H HN 0.573 nan 8.280 nan 0.000 0.551 524 I N 1.495 122.103 120.570 0.064 0.000 2.556 524 I HA -0.005 4.164 4.170 -0.000 0.000 0.284 524 I C 1.301 177.445 176.117 0.045 0.000 1.114 524 I CA 0.437 61.749 61.300 0.021 0.000 1.418 524 I CB 0.769 38.756 38.000 -0.022 0.000 1.394 524 I HN 0.752 nan 8.210 nan 0.000 0.552 525 A N 5.070 127.911 122.820 0.035 0.000 1.944 525 A HA 0.470 4.790 4.320 -0.000 0.000 0.207 525 A C 0.891 178.498 177.584 0.039 0.000 1.265 525 A CA 1.020 53.069 52.037 0.020 0.000 0.712 525 A CB 0.054 19.044 19.000 -0.017 0.000 0.915 525 A HN 0.765 nan 8.150 nan 0.000 0.470 526 E N -1.768 118.471 120.200 0.066 0.000 2.430 526 E HA 0.587 4.937 4.350 -0.000 0.000 0.279 526 E C -1.104 175.587 176.600 0.151 0.000 1.003 526 E CA -0.233 56.219 56.400 0.087 0.000 0.801 526 E CB 0.852 30.586 29.700 0.057 0.000 1.313 526 E HN 0.125 nan 8.360 nan 0.000 0.459 527 T N 2.033 116.665 114.554 0.131 0.000 2.772 527 T HA 0.406 4.756 4.350 -0.000 0.000 0.288 527 T C 0.578 175.274 174.700 -0.006 0.000 0.994 527 T CA -0.321 61.835 62.100 0.093 0.000 0.951 527 T CB 0.744 69.693 68.868 0.136 0.000 0.933 527 T HN 0.414 nan 8.240 nan 0.000 0.447 528 L N 3.595 124.772 121.223 -0.077 0.000 2.162 528 L HA 0.510 4.850 4.340 -0.000 0.000 0.205 528 L C 0.661 177.472 176.870 -0.098 0.000 1.086 528 L CA 1.078 55.883 54.840 -0.059 0.000 0.778 528 L CB -0.110 41.923 42.059 -0.044 0.000 0.928 528 L HN 0.622 nan 8.230 nan 0.000 0.446 529 I N -2.038 118.431 120.570 -0.168 0.000 2.768 529 I HA 0.190 4.360 4.170 -0.000 0.000 0.298 529 I C -1.731 174.329 176.117 -0.095 0.000 1.672 529 I CA -0.486 60.755 61.300 -0.097 0.000 0.962 529 I CB 1.821 39.746 38.000 -0.124 0.000 1.409 529 I HN -0.034 nan 8.210 nan 0.000 0.549 530 E N 2.761 123.006 120.200 0.075 0.000 2.413 530 E HA 0.540 4.890 4.350 -0.000 0.000 0.277 530 E C -1.655 175.049 176.600 0.174 0.000 0.958 530 E CA -0.841 55.619 56.400 0.099 0.000 0.779 530 E CB 2.388 32.123 29.700 0.059 0.000 1.278 530 E HN 0.556 nan 8.360 nan 0.000 0.456 531 S N -0.310 115.400 115.700 0.018 0.000 2.513 531 S HA 0.492 4.962 4.470 -0.000 0.000 0.299 531 S C 0.010 174.550 174.600 -0.100 0.000 1.087 531 S CA -0.490 57.555 58.200 -0.259 0.000 1.012 531 S CB 1.611 64.322 63.200 -0.815 0.000 1.044 531 S HN 0.561 nan 8.310 nan 0.000 0.485 532 S N 0.003 115.659 115.700 -0.074 0.000 3.561 532 S HA -0.152 4.318 4.470 -0.000 0.000 0.318 532 S C 0.083 174.713 174.600 0.048 0.000 1.181 532 S CA 1.060 59.268 58.200 0.013 0.000 0.916 532 S CB -1.942 61.295 63.200 0.062 0.000 0.966 532 S HN 1.239 nan 8.310 nan 0.000 0.550 533 S N 1.124 116.851 115.700 0.046 0.000 2.472 533 S HA 0.627 5.097 4.470 -0.000 0.000 0.303 533 S C -0.864 173.772 174.600 0.060 0.000 1.099 533 S CA -1.193 57.047 58.200 0.066 0.000 1.077 533 S CB 1.366 64.616 63.200 0.085 0.000 1.031 533 S HN 0.160 nan 8.310 nan 0.000 0.487 534 P HA 0.340 nan 4.420 nan 0.000 0.230 534 P C -0.212 177.120 177.300 0.054 0.000 1.168 534 P CA 0.146 63.277 63.100 0.052 0.000 0.793 534 P CB 0.263 31.992 31.700 0.048 0.000 0.851 535 A N -0.471 122.387 122.820 0.063 0.000 2.566 535 A HA 0.656 4.976 4.320 -0.000 0.000 0.297 535 A C -0.783 176.853 177.584 0.087 0.000 1.059 535 A CA -0.454 51.622 52.037 0.066 0.000 0.691 535 A CB 1.273 20.306 19.000 0.054 0.000 1.282 535 A HN 0.174 nan 8.150 nan 0.000 0.401 536 A N 2.736 125.612 122.820 0.094 0.000 2.304 536 A HA 0.804 5.124 4.320 -0.000 0.000 0.271 536 A C -1.959 175.694 177.584 0.115 0.000 1.091 536 A CA -1.219 50.898 52.037 0.134 0.000 0.812 536 A CB -0.395 18.680 19.000 0.127 0.000 1.056 536 A HN 0.691 nan 8.150 nan 0.000 0.489 537 P HA 0.392 nan 4.420 nan 0.000 0.274 537 P C -0.313 177.024 177.300 0.062 0.000 1.237 537 P CA -0.046 63.094 63.100 0.067 0.000 0.793 537 P CB 0.868 32.575 31.700 0.012 0.000 0.977 538 A N 1.733 124.576 122.820 0.037 0.000 2.351 538 A HA 0.504 4.824 4.320 -0.000 0.000 0.257 538 A C 0.593 178.193 177.584 0.028 0.000 1.087 538 A CA -0.250 51.805 52.037 0.031 0.000 0.798 538 A CB -0.363 18.648 19.000 0.018 0.000 1.033 538 A HN 0.678 nan 8.150 nan 0.000 0.488 539 A N 0.613 123.449 122.820 0.026 0.000 2.546 539 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 539 A C 1.583 179.168 177.584 0.002 0.000 1.063 539 A CA 0.890 52.939 52.037 0.020 0.000 0.757 539 A CB -0.830 18.178 19.000 0.014 0.000 0.991 539 A HN 2.745 nan 8.150 nan 0.000 0.503 540 G N 0.900 109.705 108.800 0.009 0.000 2.195 540 G HA2 0.152 4.112 3.960 -0.000 0.000 0.246 540 G HA3 0.152 4.112 3.960 -0.000 0.000 0.246 540 G C 0.697 175.621 174.900 0.040 0.000 0.984 540 G CA 0.436 45.524 45.100 -0.019 0.000 0.633 540 G HN 2.304 nan 8.290 nan 0.000 0.525 541 A N 0.167 123.013 122.820 0.044 0.000 2.587 541 A HA 0.612 4.932 4.320 -0.000 0.000 0.233 541 A C 1.500 179.144 177.584 0.100 0.000 1.049 541 A CA 1.418 53.483 52.037 0.046 0.000 0.754 541 A CB 0.430 19.431 19.000 0.001 0.000 0.977 541 A HN 1.915 nan 8.150 nan 0.000 0.509 542 A N 1.458 124.327 122.820 0.081 0.000 2.431 542 A HA 0.533 4.853 4.320 -0.000 0.000 0.239 542 A C 0.825 178.358 177.584 -0.085 0.000 1.230 542 A CA 0.857 52.906 52.037 0.019 0.000 0.928 542 A CB -0.314 18.727 19.000 0.068 0.000 1.006 542 A HN 1.969 nan 8.150 nan 0.000 0.520 543 S N -1.354 114.310 115.700 -0.060 0.000 2.643 543 S HA 0.802 5.271 4.470 -0.000 0.000 0.270 543 S C -1.332 173.253 174.600 -0.025 0.000 1.166 543 S CA -0.715 57.441 58.200 -0.074 0.000 0.815 543 S CB 0.964 64.118 63.200 -0.075 0.000 1.139 543 S HN 0.265 nan 8.310 nan 0.000 0.472 544 L N 0.761 122.000 121.223 0.026 0.000 2.422 544 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 544 L C -1.128 175.778 176.870 0.060 0.000 0.984 544 L CA -0.795 54.068 54.840 0.038 0.000 0.819 544 L CB 2.250 44.333 42.059 0.040 0.000 1.330 544 L HN 0.639 nan 8.230 nan 0.000 0.410 545 E N 4.074 124.302 120.200 0.047 0.000 2.109 545 E HA 0.525 4.875 4.350 -0.000 0.000 0.278 545 E C -0.965 175.669 176.600 0.057 0.000 0.954 545 E CA -0.321 56.107 56.400 0.047 0.000 0.779 545 E CB 1.967 31.689 29.700 0.037 0.000 1.093 545 E HN 0.390 nan 8.360 nan 0.000 0.401 546 L N 2.501 123.757 121.223 0.055 0.000 2.317 546 L HA 0.314 4.653 4.340 -0.000 0.000 0.281 546 L C 0.684 177.578 176.870 0.039 0.000 1.024 546 L CA -0.954 53.916 54.840 0.050 0.000 0.810 546 L CB 1.211 43.293 42.059 0.038 0.000 1.240 546 L HN 0.165 nan 8.230 nan 0.000 0.427 547 Q N 2.138 121.970 119.800 0.053 0.000 2.249 547 Q HA 0.367 4.707 4.340 -0.000 0.000 0.226 547 Q C -2.295 173.736 176.000 0.051 0.000 0.983 547 Q CA -1.932 53.911 55.803 0.067 0.000 0.930 547 Q CB 0.754 29.549 28.738 0.094 0.000 1.193 547 Q HN 0.270 nan 8.270 nan 0.000 0.508 548 P HA -0.117 nan 4.420 nan 0.000 0.262 548 P C -0.726 176.637 177.300 0.106 0.000 1.182 548 P CA 0.549 63.637 63.100 -0.021 0.000 0.761 548 P CB 0.038 31.752 31.700 0.022 0.000 0.795 549 W N -0.083 121.131 121.300 -0.144 0.000 4.233 549 W HA -0.235 4.425 4.660 -0.000 0.000 0.328 549 W C 0.629 177.087 176.519 -0.101 0.000 1.212 549 W CA 0.410 57.665 57.345 -0.150 0.000 0.752 549 W CB -1.877 27.501 29.460 -0.137 0.000 2.277 549 W HN 0.437 nan 8.180 nan 0.000 1.465 550 Q N 1.450 121.305 119.800 0.091 0.000 2.352 550 Q HA 0.349 4.689 4.340 -0.000 0.000 0.260 550 Q C 0.628 176.660 176.000 0.054 0.000 0.976 550 Q CA 0.799 56.644 55.803 0.070 0.000 0.881 550 Q CB 0.933 29.710 28.738 0.066 0.000 1.235 550 Q HN 0.149 nan 8.270 nan 0.000 0.419 551 S N 1.737 117.467 115.700 0.049 0.000 2.570 551 S HA 0.954 5.424 4.470 -0.000 0.000 0.286 551 S C -0.587 174.049 174.600 0.060 0.000 1.099 551 S CA -0.247 57.989 58.200 0.059 0.000 0.913 551 S CB 2.088 65.335 63.200 0.078 0.000 1.085 551 S HN 0.836 nan 8.310 nan 0.000 0.480 552 G N 0.506 109.309 108.800 0.005 0.000 2.673 552 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 552 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 552 G C -1.821 172.839 174.900 -0.401 0.000 1.450 552 G CA -0.825 44.145 45.100 -0.216 0.000 0.837 552 G HN 0.837 nan 8.290 nan 0.000 0.505 553 I N 0.763 120.938 120.570 -0.658 0.000 2.466 553 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 553 I C -1.231 174.537 176.117 -0.582 0.000 1.026 553 I CA -0.790 60.257 61.300 -0.421 0.000 1.078 553 I CB 1.962 39.829 38.000 -0.221 0.000 1.249 553 I HN 0.424 nan 8.210 nan 0.000 0.429 554 Y N 3.758 124.080 120.300 0.036 0.000 2.545 554 Y HA 0.484 5.034 4.550 -0.000 0.000 0.348 554 Y C -0.205 175.706 175.900 0.018 0.000 1.002 554 Y CA -1.174 56.949 58.100 0.038 0.000 1.039 554 Y CB 1.576 40.037 38.460 0.002 0.000 1.271 554 Y HN 0.358 nan 8.280 nan 0.000 0.467 555 K N 2.391 122.841 120.400 0.083 0.000 2.211 555 K HA 0.655 4.974 4.320 -0.000 0.000 0.275 555 K C -0.813 175.710 176.600 -0.128 0.000 1.024 555 K CA -0.577 55.553 56.287 -0.262 0.000 0.887 555 K CB 0.848 33.188 32.500 -0.268 0.000 1.084 555 K HN 0.645 nan 8.250 nan 0.000 0.463 556 V N 0.759 120.568 119.914 -0.175 0.000 3.093 556 V HA 0.676 4.795 4.120 -0.000 0.000 0.320 556 V C -0.700 175.345 176.094 -0.082 0.000 1.093 556 V CA -0.727 61.525 62.300 -0.081 0.000 1.016 556 V CB 1.483 33.272 31.823 -0.057 0.000 1.096 556 V HN 0.957 nan 8.190 nan 0.000 0.452 557 K N 0.000 120.385 120.400 -0.025 0.000 2.780 557 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 557 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 557 K CB 0.000 32.502 32.500 0.003 0.000 1.064 557 K HN 0.000 nan 8.250 nan 0.000 0.543