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 2ioq_1_B DATA FIRST_RESID 8 DATA SEQUENCE GFQSEVKQLL HLMIHSLYSN KEIFLRELIS NASDAADKLR FRALSNPDLY DATA SEQUENCE EGDGELRVRV SFDKDKRTLT ISDNGVGMTR DEVIDHLGTI AKSGTKSFLE DATA SEQUENCE SLGSDQAKDS QLIGQFGVGF YSAFIVADKV TVRTRAAGEK PENGVFWESA DATA SEQUENCE GEGEYTVADI TKEDRGTEIT LHLREGEDEF LDDWRVRSII SKYSDHIALP DATA SEQUENCE VEIEKRXXXX XETVISWEKI NKAQALWTRN KSEITDEEYK EFYKHIAHDF DATA SEQUENCE NDPLTWSHNR VEGKQEYTSL LYIPSQAPWD MWNRDHKHGL KLYVQRVFIM DATA SEQUENCE DDAEQFMPNY LRFVRGLIDS SDLPLNVSRE ILQDSTVTRN LRNALTKRVL DATA SEQUENCE QMLEKLAKDD AEKYQTFWQQ FGLVLKEGPA EDFANQEAIA KLLRFASTHT DATA SEQUENCE DSSAQTVSLE DYVSRMKEGQ EKIYYITADS YAAAKSSPHL ELLRKKGIEV DATA SEQUENCE LLLSDRIDEW MMNYLTEFDG KPFQSVSKVX XXXXXXXXXX XXXAKEAEKA DATA SEQUENCE LTPFIDRVKA LLGERVKDVR LTHRLTDTPA IVSTDAXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXKYI FELNPDHVLV KRAADTEDEA KFSEWVELLL DQALLAERGT DATA SEQUENCE LEDPNLFIRR MNQLLVS 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 8 G C 0.000 175.046 174.900 0.243 0.000 0.946 8 G CA 0.000 45.196 45.100 0.159 0.000 0.502 9 F N -0.101 120.029 119.950 0.302 0.000 2.502 9 F HA 0.681 5.207 4.527 -0.000 0.000 0.371 9 F C 1.009 177.182 175.800 0.621 0.000 1.083 9 F CA 0.499 58.776 58.000 0.462 0.000 1.174 9 F CB 0.131 39.454 39.000 0.538 0.000 1.096 9 F HN 1.298 nan 8.300 nan 0.000 0.545 10 Q N 2.916 123.044 119.800 0.547 0.000 2.938 10 Q HA 0.394 4.734 4.340 -0.000 0.000 0.343 10 Q C 1.635 177.764 176.000 0.213 0.000 1.185 10 Q CA 0.457 56.347 55.803 0.144 0.000 0.939 10 Q CB -0.292 28.444 28.738 -0.004 0.000 1.480 10 Q HN 1.237 nan 8.270 nan 0.000 0.442 11 S N 0.834 116.633 115.700 0.166 0.000 2.414 11 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 11 S C 2.150 176.624 174.600 -0.209 0.000 1.041 11 S CA 2.657 60.633 58.200 -0.374 0.000 1.114 11 S CB -0.165 62.744 63.200 -0.485 0.000 1.064 11 S HN 1.003 nan 8.310 nan 0.000 0.420 12 E N -0.059 119.987 120.200 -0.256 0.000 2.478 12 E HA 0.124 4.473 4.350 -0.000 0.000 0.198 12 E C 1.921 178.400 176.600 -0.201 0.000 1.046 12 E CA 0.994 57.301 56.400 -0.156 0.000 0.870 12 E CB -0.865 28.832 29.700 -0.006 0.000 0.818 12 E HN 0.525 nan 8.360 nan 0.000 0.527 13 V N 1.073 120.747 119.914 -0.401 0.000 2.255 13 V HA -0.196 3.923 4.120 -0.000 0.000 0.243 13 V C 2.554 178.612 176.094 -0.059 0.000 1.038 13 V CA 1.956 64.096 62.300 -0.266 0.000 1.008 13 V CB -0.231 31.367 31.823 -0.376 0.000 0.645 13 V HN 0.506 nan 8.190 nan 0.000 0.449 14 K N -0.290 120.135 120.400 0.042 0.000 2.026 14 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 14 K C 2.299 178.999 176.600 0.167 0.000 1.048 14 K CA 1.660 58.006 56.287 0.098 0.000 0.929 14 K CB -0.253 32.315 32.500 0.113 0.000 0.713 14 K HN 0.362 nan 8.250 nan 0.000 0.439 15 Q N 0.866 120.792 119.800 0.210 0.000 2.002 15 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 15 Q C 2.394 178.479 176.000 0.141 0.000 0.988 15 Q CA 1.414 57.326 55.803 0.181 0.000 0.843 15 Q CB -0.529 28.255 28.738 0.076 0.000 0.908 15 Q HN 0.377 nan 8.270 nan 0.000 0.420 16 L N 0.084 121.350 121.223 0.070 0.000 2.012 16 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 16 L C 2.558 179.484 176.870 0.093 0.000 1.073 16 L CA 0.861 55.738 54.840 0.061 0.000 0.748 16 L CB -0.621 41.453 42.059 0.024 0.000 0.891 16 L HN 0.224 nan 8.230 nan 0.000 0.431 17 L N -0.342 120.930 121.223 0.083 0.000 2.013 17 L HA -0.320 4.020 4.340 -0.000 0.000 0.212 17 L C 2.708 179.674 176.870 0.160 0.000 1.073 17 L CA 1.906 56.799 54.840 0.088 0.000 0.753 17 L CB -0.735 41.352 42.059 0.048 0.000 0.890 17 L HN 0.275 nan 8.230 nan 0.000 0.432 18 H N -1.260 117.847 119.070 0.061 0.000 2.489 18 H HA -0.108 4.448 4.556 -0.000 0.000 0.295 18 H C 1.845 177.266 175.328 0.156 0.000 1.082 18 H CA 1.545 57.639 56.048 0.077 0.000 1.295 18 H CB 0.183 30.001 29.762 0.094 0.000 1.380 18 H HN 0.245 nan 8.280 nan 0.000 0.548 19 L N -1.001 120.350 121.223 0.214 0.000 2.276 19 L HA 0.004 4.343 4.340 -0.000 0.000 0.194 19 L C 3.063 180.045 176.870 0.186 0.000 1.099 19 L CA 1.425 56.381 54.840 0.193 0.000 0.800 19 L CB -1.592 40.531 42.059 0.106 0.000 0.994 19 L HN 0.447 nan 8.230 nan 0.000 0.475 20 M N -0.340 119.340 119.600 0.133 0.000 2.117 20 M HA -0.174 4.305 4.480 -0.000 0.000 0.262 20 M C 2.257 178.629 176.300 0.119 0.000 1.065 20 M CA 1.914 57.283 55.300 0.114 0.000 1.114 20 M CB -1.819 30.833 32.600 0.088 0.000 1.361 20 M HN 0.229 nan 8.290 nan 0.000 0.408 21 I N 0.705 121.344 120.570 0.116 0.000 2.143 21 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 21 I C 2.203 178.393 176.117 0.123 0.000 1.068 21 I CA 2.108 63.470 61.300 0.105 0.000 1.326 21 I CB -0.954 37.105 38.000 0.098 0.000 1.028 21 I HN 0.824 nan 8.210 nan 0.000 0.412 22 H N -0.876 118.297 119.070 0.171 0.000 2.533 22 H HA 0.548 5.104 4.556 -0.000 0.000 0.281 22 H C 1.199 176.727 175.328 0.333 0.000 1.238 22 H CA 0.539 56.724 56.048 0.229 0.000 1.024 22 H CB 0.692 30.524 29.762 0.117 0.000 1.604 22 H HN 0.150 nan 8.280 nan 0.000 0.531 23 S N -0.656 115.165 115.700 0.201 0.000 2.684 23 S HA 0.099 4.569 4.470 -0.000 0.000 0.268 23 S C 1.679 176.353 174.600 0.124 0.000 1.075 23 S CA 0.627 58.916 58.200 0.149 0.000 1.184 23 S CB -0.050 63.214 63.200 0.107 0.000 1.129 23 S HN 0.497 nan 8.310 nan 0.000 0.630 24 L N 2.630 123.924 121.223 0.118 0.000 1.947 24 L HA 0.193 4.533 4.340 -0.000 0.000 0.211 24 L C 1.849 178.791 176.870 0.120 0.000 1.098 24 L CA 3.054 57.957 54.840 0.105 0.000 0.767 24 L CB -1.547 40.565 42.059 0.089 0.000 0.891 24 L HN 0.748 nan 8.230 nan 0.000 0.436 25 Y N -2.010 118.360 120.300 0.117 0.000 4.656 25 Y HA -0.195 4.355 4.550 -0.000 0.000 0.221 25 Y C 2.192 178.159 175.900 0.113 0.000 1.045 25 Y CA 1.934 60.106 58.100 0.119 0.000 1.926 25 Y CB -2.996 35.559 38.460 0.158 0.000 1.618 25 Y HN 1.860 nan 8.280 nan 0.000 0.615 26 S N -0.877 114.886 115.700 0.106 0.000 3.002 26 S HA -0.289 4.181 4.470 -0.000 0.000 0.289 26 S C 0.809 175.485 174.600 0.127 0.000 1.309 26 S CA 2.425 60.687 58.200 0.105 0.000 1.195 26 S CB -2.259 60.995 63.200 0.090 0.000 1.433 26 S HN 2.638 nan 8.310 nan 0.000 0.711 27 N N -0.237 118.550 118.700 0.145 0.000 2.338 27 N HA 0.368 5.107 4.740 -0.000 0.000 0.251 27 N C 0.609 176.239 175.510 0.199 0.000 1.199 27 N CA 0.189 53.340 53.050 0.167 0.000 0.879 27 N CB 0.507 39.093 38.487 0.166 0.000 1.159 27 N HN 0.492 nan 8.380 nan 0.000 0.514 28 K N 0.870 121.389 120.400 0.199 0.000 3.631 28 K HA -0.369 3.951 4.320 -0.000 0.000 0.258 28 K C 1.258 178.073 176.600 0.358 0.000 0.760 28 K CA 2.774 59.216 56.287 0.258 0.000 1.075 28 K CB -0.972 31.726 32.500 0.330 0.000 1.354 28 K HN 0.706 nan 8.250 nan 0.000 0.651 29 E N 1.543 122.000 120.200 0.429 0.000 2.409 29 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 29 E C 1.908 178.543 176.600 0.058 0.000 1.024 29 E CA 1.190 57.858 56.400 0.447 0.000 0.861 29 E CB -0.477 29.453 29.700 0.384 0.000 0.788 29 E HN 0.646 nan 8.360 nan 0.000 0.521 30 I N 1.727 122.355 120.570 0.097 0.000 2.248 30 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 30 I C 2.433 178.415 176.117 -0.224 0.000 1.107 30 I CA 1.609 62.880 61.300 -0.048 0.000 1.373 30 I CB -0.301 37.728 38.000 0.047 0.000 1.055 30 I HN 0.161 nan 8.210 nan 0.000 0.418 31 F N 0.565 120.432 119.950 -0.139 0.000 2.115 31 F HA -0.295 4.232 4.527 -0.000 0.000 0.300 31 F C 1.998 177.668 175.800 -0.216 0.000 1.092 31 F CA 1.851 59.736 58.000 -0.191 0.000 1.245 31 F CB -1.287 37.584 39.000 -0.215 0.000 0.995 31 F HN 0.054 nan 8.300 nan 0.000 0.481 32 L N 0.442 120.679 121.223 -1.644 0.000 1.994 32 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 32 L C 3.082 179.563 176.870 -0.648 0.000 1.071 32 L CA 1.916 56.011 54.840 -1.241 0.000 0.745 32 L CB -0.587 40.795 42.059 -1.129 0.000 0.892 32 L HN 0.328 nan 8.230 nan 0.000 0.431 33 R N -0.062 119.961 120.500 -0.795 0.000 2.154 33 R HA -0.289 4.050 4.340 -0.000 0.000 0.236 33 R C 2.088 178.092 176.300 -0.494 0.000 1.121 33 R CA 2.276 57.825 56.100 -0.919 0.000 0.915 33 R CB -0.605 28.723 30.300 -1.622 0.000 0.856 33 R HN 0.303 nan 8.270 nan 0.000 0.431 34 E N 0.546 120.489 120.200 -0.429 0.000 2.130 34 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 34 E C 2.061 178.492 176.600 -0.282 0.000 0.998 34 E CA 1.074 57.284 56.400 -0.316 0.000 0.806 34 E CB -0.273 29.257 29.700 -0.284 0.000 0.738 34 E HN 0.319 nan 8.360 nan 0.000 0.459 35 L N 0.453 121.526 121.223 -0.251 0.000 2.027 35 L HA -0.131 4.208 4.340 -0.000 0.000 0.206 35 L C 2.352 179.105 176.870 -0.195 0.000 1.074 35 L CA 1.137 55.855 54.840 -0.204 0.000 0.745 35 L CB -0.426 41.564 42.059 -0.115 0.000 0.898 35 L HN 0.140 nan 8.230 nan 0.000 0.433 36 I N -1.714 118.745 120.570 -0.186 0.000 2.208 36 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 36 I C 2.703 178.771 176.117 -0.082 0.000 1.097 36 I CA 1.449 62.673 61.300 -0.126 0.000 1.363 36 I CB -0.789 37.138 38.000 -0.123 0.000 1.051 36 I HN 0.339 nan 8.210 nan 0.000 0.413 37 S N 1.643 117.288 115.700 -0.092 0.000 2.369 37 S HA -0.283 4.187 4.470 -0.000 0.000 0.225 37 S C 1.923 176.409 174.600 -0.190 0.000 1.043 37 S CA 2.150 60.310 58.200 -0.066 0.000 1.074 37 S CB -0.509 62.575 63.200 -0.192 0.000 0.962 37 S HN 0.447 nan 8.310 nan 0.000 0.433 38 N N 1.409 119.925 118.700 -0.308 0.000 2.094 38 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 38 N C 2.054 177.432 175.510 -0.220 0.000 1.023 38 N CA 1.449 54.254 53.050 -0.408 0.000 0.857 38 N CB -0.664 37.491 38.487 -0.554 0.000 1.013 38 N HN 0.599 nan 8.380 nan 0.000 0.426 39 A N 0.762 123.495 122.820 -0.145 0.000 1.873 39 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 39 A C 2.486 180.053 177.584 -0.029 0.000 1.193 39 A CA 2.193 54.184 52.037 -0.077 0.000 0.629 39 A CB -1.049 17.913 19.000 -0.063 0.000 0.826 39 A HN 0.370 nan 8.150 nan 0.000 0.447 40 S N -0.101 115.611 115.700 0.019 0.000 2.363 40 S HA -0.246 4.224 4.470 -0.000 0.000 0.218 40 S C 1.739 176.374 174.600 0.058 0.000 1.035 40 S CA 1.890 60.151 58.200 0.101 0.000 1.043 40 S CB -0.728 62.656 63.200 0.306 0.000 0.986 40 S HN 0.574 nan 8.310 nan 0.000 0.423 41 D N 1.629 122.036 120.400 0.012 0.000 2.191 41 D HA -0.140 4.499 4.640 -0.000 0.000 0.195 41 D C 2.135 178.381 176.300 -0.091 0.000 1.003 41 D CA 1.410 55.358 54.000 -0.088 0.000 0.867 41 D CB -0.827 39.898 40.800 -0.125 0.000 0.926 41 D HN 0.512 nan 8.370 nan 0.000 0.450 42 A N 1.250 124.041 122.820 -0.048 0.000 1.845 42 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 42 A C 2.414 179.993 177.584 -0.009 0.000 1.195 42 A CA 2.706 54.733 52.037 -0.017 0.000 0.616 42 A CB -1.058 17.934 19.000 -0.014 0.000 0.832 42 A HN 0.253 nan 8.150 nan 0.000 0.443 43 A N 0.074 122.900 122.820 0.010 0.000 1.884 43 A HA -0.310 4.009 4.320 -0.000 0.000 0.219 43 A C 1.816 179.430 177.584 0.051 0.000 1.197 43 A CA 2.341 54.406 52.037 0.046 0.000 0.637 43 A CB -0.982 18.058 19.000 0.066 0.000 0.827 43 A HN 0.518 nan 8.150 nan 0.000 0.450 44 D N -0.724 119.677 120.400 0.002 0.000 2.120 44 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 44 D C 1.876 178.143 176.300 -0.055 0.000 0.994 44 D CA 1.811 55.772 54.000 -0.064 0.000 0.838 44 D CB -0.482 40.087 40.800 -0.385 0.000 0.976 44 D HN 0.541 nan 8.370 nan 0.000 0.447 45 K N -0.032 120.268 120.400 -0.167 0.000 2.144 45 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 45 K C 2.092 178.741 176.600 0.082 0.000 1.047 45 K CA 0.935 57.233 56.287 0.019 0.000 0.927 45 K CB -0.265 32.231 32.500 -0.008 0.000 0.716 45 K HN 0.037 nan 8.250 nan 0.000 0.454 46 L N 1.216 122.457 121.223 0.029 0.000 1.973 46 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 46 L C 2.069 178.938 176.870 -0.001 0.000 1.073 46 L CA 1.691 56.527 54.840 -0.006 0.000 0.746 46 L CB -0.581 41.486 42.059 0.013 0.000 0.891 46 L HN 0.076 nan 8.230 nan 0.000 0.433 47 R N -1.026 119.543 120.500 0.116 0.000 2.139 47 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 47 R C 2.237 178.667 176.300 0.216 0.000 1.145 47 R CA 1.799 58.023 56.100 0.207 0.000 0.976 47 R CB -0.868 29.603 30.300 0.284 0.000 0.866 47 R HN 0.471 nan 8.270 nan 0.000 0.449 48 F N 1.780 121.787 119.950 0.095 0.000 2.031 48 F HA -0.160 4.367 4.527 -0.000 0.000 0.295 48 F C 2.330 178.149 175.800 0.032 0.000 1.133 48 F CA 1.415 59.478 58.000 0.106 0.000 1.188 48 F CB -0.656 38.466 39.000 0.203 0.000 0.974 48 F HN -0.224 nan 8.300 nan 0.000 0.473 49 R N 0.332 120.568 120.500 -0.441 0.000 2.249 49 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 49 R C 2.254 178.331 176.300 -0.372 0.000 1.121 49 R CA 0.886 56.639 56.100 -0.578 0.000 0.997 49 R CB -0.561 29.532 30.300 -0.346 0.000 0.867 49 R HN 0.466 nan 8.270 nan 0.000 0.465 50 A N 1.001 123.647 122.820 -0.290 0.000 1.883 50 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 50 A C 2.088 179.570 177.584 -0.171 0.000 1.186 50 A CA 1.345 53.177 52.037 -0.341 0.000 0.624 50 A CB -0.534 18.208 19.000 -0.430 0.000 0.822 50 A HN 0.329 nan 8.150 nan 0.000 0.444 51 L N -0.227 120.949 121.223 -0.079 0.000 2.042 51 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 51 L C 2.396 179.239 176.870 -0.044 0.000 1.076 51 L CA 1.568 56.405 54.840 -0.005 0.000 0.749 51 L CB -0.457 41.640 42.059 0.062 0.000 0.893 51 L HN 0.299 nan 8.230 nan 0.000 0.432 52 S N -0.636 114.997 115.700 -0.111 0.000 2.607 52 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 52 S C 0.647 175.191 174.600 -0.094 0.000 0.969 52 S CA 0.287 58.427 58.200 -0.099 0.000 0.927 52 S CB -0.256 62.858 63.200 -0.145 0.000 0.772 52 S HN 0.381 nan 8.310 nan 0.000 0.533 53 N N 0.414 119.051 118.700 -0.105 0.000 3.111 53 N HA 0.181 4.921 4.740 -0.000 0.000 0.200 53 N C -3.080 172.374 175.510 -0.094 0.000 1.464 53 N CA -1.102 51.894 53.050 -0.090 0.000 0.758 53 N CB 0.853 39.276 38.487 -0.107 0.000 1.548 53 N HN -0.159 nan 8.380 nan 0.000 0.595 54 P HA -0.010 nan 4.420 nan 0.000 0.234 54 P C 0.377 177.695 177.300 0.030 0.000 1.162 54 P CA 0.959 64.065 63.100 0.010 0.000 0.759 54 P CB 0.353 32.086 31.700 0.055 0.000 0.813 55 D N -0.867 119.524 120.400 -0.016 0.000 2.271 55 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 55 D C 1.872 178.161 176.300 -0.017 0.000 0.967 55 D CA 0.522 54.526 54.000 0.006 0.000 0.867 55 D CB -0.175 40.621 40.800 -0.006 0.000 0.960 55 D HN 0.245 nan 8.370 nan 0.000 0.509 56 L N 0.421 121.577 121.223 -0.112 0.000 2.349 56 L HA -0.191 4.149 4.340 -0.000 0.000 0.220 56 L C 2.059 178.864 176.870 -0.109 0.000 1.130 56 L CA 0.853 55.606 54.840 -0.144 0.000 0.791 56 L CB -0.609 41.311 42.059 -0.230 0.000 0.918 56 L HN 0.039 nan 8.230 nan 0.000 0.444 57 Y N 0.419 120.716 120.300 -0.006 0.000 2.421 57 Y HA -0.152 4.397 4.550 -0.000 0.000 0.292 57 Y C 1.233 177.131 175.900 -0.003 0.000 1.136 57 Y CA 0.027 58.126 58.100 -0.002 0.000 1.255 57 Y CB -0.383 38.079 38.460 0.004 0.000 0.991 57 Y HN 0.250 nan 8.280 nan 0.000 0.552 58 E N -0.729 119.552 120.200 0.135 0.000 2.360 58 E HA -0.316 4.033 4.350 -0.000 0.000 0.238 58 E C 1.438 178.083 176.600 0.074 0.000 1.186 58 E CA 0.218 56.664 56.400 0.077 0.000 0.719 58 E CB -1.528 28.202 29.700 0.050 0.000 1.236 58 E HN 0.684 nan 8.360 nan 0.000 0.386 59 G N 0.659 109.512 108.800 0.087 0.000 2.550 59 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.233 59 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.233 59 G C 0.190 175.107 174.900 0.028 0.000 1.170 59 G CA 0.354 45.482 45.100 0.048 0.000 0.693 59 G HN 0.479 nan 8.290 nan 0.000 0.512 60 D N 1.820 122.246 120.400 0.043 0.000 2.346 60 D HA 0.491 5.131 4.640 -0.000 0.000 0.267 60 D C 1.386 177.686 176.300 -0.000 0.000 1.320 60 D CA 1.134 55.146 54.000 0.020 0.000 0.951 60 D CB 0.237 41.055 40.800 0.030 0.000 1.079 60 D HN 0.428 nan 8.370 nan 0.000 0.509 61 G N 2.177 110.923 108.800 -0.088 0.000 2.848 61 G HA2 0.124 4.083 3.960 -0.000 0.000 0.213 61 G HA3 0.124 4.083 3.960 -0.000 0.000 0.213 61 G C 0.663 175.461 174.900 -0.172 0.000 1.101 61 G CA 0.119 45.071 45.100 -0.247 0.000 0.778 61 G HN 0.555 nan 8.290 nan 0.000 0.536 62 E N 1.783 121.928 120.200 -0.091 0.000 1.774 62 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 62 E C 0.285 176.859 176.600 -0.044 0.000 1.207 62 E CA -0.288 56.076 56.400 -0.061 0.000 1.054 62 E CB -0.950 28.725 29.700 -0.042 0.000 1.074 62 E HN 0.488 nan 8.360 nan 0.000 0.433 63 L N 1.955 123.158 121.223 -0.032 0.000 2.371 63 L HA 0.744 5.084 4.340 -0.000 0.000 0.272 63 L C 0.893 177.755 176.870 -0.013 0.000 1.124 63 L CA -0.931 53.908 54.840 -0.001 0.000 0.816 63 L CB 0.584 42.673 42.059 0.051 0.000 1.129 63 L HN 0.713 nan 8.230 nan 0.000 0.448 64 R N 2.138 122.622 120.500 -0.028 0.000 3.061 64 R HA 0.701 5.041 4.340 -0.000 0.000 0.265 64 R C -1.931 174.330 176.300 -0.064 0.000 1.003 64 R CA -0.697 55.377 56.100 -0.045 0.000 0.871 64 R CB 1.346 31.606 30.300 -0.066 0.000 1.458 64 R HN 0.395 nan 8.270 nan 0.000 0.431 65 V N 0.905 120.771 119.914 -0.079 0.000 2.655 65 V HA 0.612 4.732 4.120 -0.000 0.000 0.301 65 V C -1.345 174.679 176.094 -0.117 0.000 1.082 65 V CA -0.738 61.505 62.300 -0.094 0.000 0.899 65 V CB 1.982 33.770 31.823 -0.058 0.000 1.014 65 V HN 0.723 nan 8.190 nan 0.000 0.429 66 R N 5.036 125.414 120.500 -0.202 0.000 2.295 66 R HA 0.706 5.046 4.340 -0.000 0.000 0.324 66 R C -1.032 175.247 176.300 -0.035 0.000 0.968 66 R CA -0.650 55.292 56.100 -0.264 0.000 0.837 66 R CB 2.181 31.890 30.300 -0.985 0.000 1.133 66 R HN 0.587 nan 8.270 nan 0.000 0.450 67 V N 2.785 122.798 119.914 0.165 0.000 2.481 67 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 67 V C 0.246 176.580 176.094 0.401 0.000 1.042 67 V CA -0.111 62.311 62.300 0.204 0.000 0.928 67 V CB 1.535 33.420 31.823 0.103 0.000 0.986 67 V HN 1.024 nan 8.190 nan 0.000 0.462 68 S N 4.475 120.389 115.700 0.356 0.000 2.720 68 S HA 0.949 5.418 4.470 -0.000 0.000 0.287 68 S C -0.898 174.006 174.600 0.508 0.000 1.168 68 S CA -0.798 57.680 58.200 0.463 0.000 0.832 68 S CB 2.398 65.884 63.200 0.478 0.000 1.166 68 S HN 0.982 nan 8.310 nan 0.000 0.493 69 F N -1.129 118.871 119.950 0.082 0.000 2.725 69 F HA 0.622 5.149 4.527 -0.000 0.000 0.311 69 F C -2.123 173.697 175.800 0.034 0.000 1.121 69 F CA -0.946 57.087 58.000 0.056 0.000 0.978 69 F CB 1.271 40.302 39.000 0.051 0.000 1.274 69 F HN 0.674 nan 8.300 nan 0.000 0.440 70 D N 2.479 122.843 120.400 -0.059 0.000 2.492 70 D HA 0.332 4.972 4.640 -0.000 0.000 0.248 70 D C 0.420 176.639 176.300 -0.135 0.000 1.101 70 D CA 0.098 53.999 54.000 -0.165 0.000 0.840 70 D CB 2.447 43.210 40.800 -0.062 0.000 1.209 70 D HN 0.930 nan 8.370 nan 0.000 0.524 71 K N 3.309 123.588 120.400 -0.201 0.000 2.103 71 K HA -0.087 4.232 4.320 -0.000 0.000 0.204 71 K C 1.234 177.808 176.600 -0.043 0.000 1.052 71 K CA 1.445 57.666 56.287 -0.109 0.000 0.945 71 K CB -0.348 32.075 32.500 -0.128 0.000 0.722 71 K HN 0.567 nan 8.250 nan 0.000 0.443 72 D N -0.152 120.217 120.400 -0.052 0.000 2.197 72 D HA -0.007 4.633 4.640 -0.000 0.000 0.212 72 D C 2.369 178.659 176.300 -0.017 0.000 0.963 72 D CA 1.686 55.669 54.000 -0.028 0.000 0.864 72 D CB -0.069 40.710 40.800 -0.036 0.000 1.009 72 D HN 0.483 nan 8.370 nan 0.000 0.479 73 K N 1.201 121.584 120.400 -0.029 0.000 2.432 73 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 73 K C 0.989 177.587 176.600 -0.004 0.000 1.038 73 K CA 0.161 56.426 56.287 -0.035 0.000 0.986 73 K CB -0.595 31.872 32.500 -0.055 0.000 0.782 73 K HN 0.139 nan 8.250 nan 0.000 0.485 74 R N 0.586 121.098 120.500 0.021 0.000 3.201 74 R HA -0.103 4.237 4.340 -0.000 0.000 0.254 74 R C -0.597 175.758 176.300 0.092 0.000 0.978 74 R CA 0.891 57.032 56.100 0.068 0.000 0.661 74 R CB -2.841 27.517 30.300 0.096 0.000 1.170 74 R HN 0.772 nan 8.270 nan 0.000 0.430 75 T N -2.210 112.389 114.554 0.076 0.000 2.893 75 T HA 0.649 4.999 4.350 -0.000 0.000 0.293 75 T C -0.413 174.360 174.700 0.122 0.000 1.027 75 T CA -1.114 61.031 62.100 0.075 0.000 0.988 75 T CB 2.342 71.234 68.868 0.040 0.000 1.043 75 T HN 0.150 nan 8.240 nan 0.000 0.461 76 L N 2.138 123.417 121.223 0.093 0.000 2.344 76 L HA 0.846 5.186 4.340 -0.000 0.000 0.272 76 L C -0.454 176.475 176.870 0.099 0.000 1.035 76 L CA 0.036 54.960 54.840 0.140 0.000 0.807 76 L CB 2.161 44.290 42.059 0.117 0.000 1.237 76 L HN 1.007 nan 8.230 nan 0.000 0.442 77 T N 5.066 119.703 114.554 0.137 0.000 3.262 77 T HA 0.443 4.792 4.350 -0.000 0.000 0.336 77 T C -0.725 174.040 174.700 0.109 0.000 0.911 77 T CA -0.119 62.051 62.100 0.115 0.000 1.154 77 T CB 0.023 68.978 68.868 0.144 0.000 1.007 77 T HN 0.264 nan 8.240 nan 0.000 0.488 78 I N 2.314 122.925 120.570 0.068 0.000 2.304 78 I HA 0.518 4.688 4.170 -0.000 0.000 0.291 78 I C 0.491 176.612 176.117 0.008 0.000 1.018 78 I CA -0.088 61.234 61.300 0.038 0.000 1.260 78 I CB 1.580 39.593 38.000 0.021 0.000 1.390 78 I HN 0.453 nan 8.210 nan 0.000 0.475 79 S N 4.971 120.660 115.700 -0.018 0.000 2.733 79 S HA 0.469 4.939 4.470 -0.000 0.000 0.307 79 S C -0.869 173.682 174.600 -0.083 0.000 1.127 79 S CA -0.838 57.336 58.200 -0.044 0.000 1.097 79 S CB 0.110 63.281 63.200 -0.047 0.000 1.003 79 S HN 0.694 nan 8.310 nan 0.000 0.477 80 D N 2.490 122.854 120.400 -0.060 0.000 2.268 80 D HA 0.365 5.004 4.640 -0.000 0.000 0.249 80 D C 0.036 176.306 176.300 -0.050 0.000 1.008 80 D CA -0.790 53.172 54.000 -0.062 0.000 0.939 80 D CB 0.567 41.340 40.800 -0.046 0.000 1.170 80 D HN 0.371 nan 8.370 nan 0.000 0.468 81 N N 0.744 119.417 118.700 -0.044 0.000 2.699 81 N HA 0.225 4.965 4.740 -0.000 0.000 0.317 81 N C 0.414 175.928 175.510 0.007 0.000 1.661 81 N CA -0.704 52.334 53.050 -0.021 0.000 0.979 81 N CB 0.954 39.424 38.487 -0.028 0.000 1.329 81 N HN 0.554 nan 8.380 nan 0.000 0.497 82 G N 0.021 108.824 108.800 0.005 0.000 3.224 82 G HA2 0.043 4.003 3.960 -0.000 0.000 0.161 82 G HA3 0.043 4.003 3.960 -0.000 0.000 0.161 82 G C 0.557 175.464 174.900 0.012 0.000 1.872 82 G CA 0.006 45.116 45.100 0.017 0.000 1.012 82 G HN 0.170 nan 8.290 nan 0.000 0.504 83 V N 0.020 119.936 119.914 0.004 0.000 3.643 83 V HA 0.460 4.579 4.120 -0.000 0.000 0.280 83 V C 1.438 177.528 176.094 -0.007 0.000 1.351 83 V CA 1.603 63.898 62.300 -0.009 0.000 1.073 83 V CB -0.718 31.098 31.823 -0.013 0.000 0.863 83 V HN 1.570 nan 8.190 nan 0.000 0.436 84 G N 1.465 110.267 108.800 0.004 0.000 2.601 84 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.252 84 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.252 84 G C -0.309 174.590 174.900 -0.001 0.000 1.294 84 G CA 0.505 45.608 45.100 0.004 0.000 0.912 84 G HN 0.632 nan 8.290 nan 0.000 0.574 85 M N 0.473 120.066 119.600 -0.012 0.000 2.371 85 M HA 0.442 4.921 4.480 -0.000 0.000 0.287 85 M C 0.327 176.602 176.300 -0.043 0.000 1.149 85 M CA -0.326 54.949 55.300 -0.042 0.000 0.929 85 M CB 2.331 34.897 32.600 -0.056 0.000 1.683 85 M HN 1.090 nan 8.290 nan 0.000 0.470 86 T N -1.620 112.894 114.554 -0.066 0.000 2.860 86 T HA 0.260 4.609 4.350 -0.000 0.000 0.299 86 T C 1.059 175.727 174.700 -0.053 0.000 1.045 86 T CA -0.415 61.652 62.100 -0.054 0.000 1.071 86 T CB 1.735 70.564 68.868 -0.065 0.000 0.985 86 T HN 0.877 nan 8.240 nan 0.000 0.537 87 R N 1.215 121.704 120.500 -0.019 0.000 2.115 87 R HA -0.225 4.114 4.340 -0.000 0.000 0.239 87 R C 1.670 177.956 176.300 -0.024 0.000 1.133 87 R CA 2.749 58.852 56.100 0.004 0.000 0.935 87 R CB -0.913 29.401 30.300 0.022 0.000 0.853 87 R HN 0.872 nan 8.270 nan 0.000 0.433 88 D N -0.207 120.167 120.400 -0.044 0.000 2.158 88 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 88 D C 1.833 178.046 176.300 -0.145 0.000 0.995 88 D CA 1.732 55.694 54.000 -0.063 0.000 0.846 88 D CB -0.063 40.699 40.800 -0.062 0.000 0.941 88 D HN 0.480 nan 8.370 nan 0.000 0.456 89 E N -0.002 120.065 120.200 -0.222 0.000 2.077 89 E HA -0.141 4.208 4.350 -0.000 0.000 0.193 89 E C 2.189 178.513 176.600 -0.460 0.000 0.989 89 E CA 0.771 56.885 56.400 -0.476 0.000 0.800 89 E CB 0.091 29.537 29.700 -0.423 0.000 0.746 89 E HN 0.151 nan 8.360 nan 0.000 0.452 90 V N 1.289 121.075 119.914 -0.213 0.000 2.407 90 V HA -0.237 3.882 4.120 -0.000 0.000 0.248 90 V C 2.156 178.224 176.094 -0.044 0.000 1.055 90 V CA 1.408 63.632 62.300 -0.126 0.000 1.049 90 V CB -0.383 31.436 31.823 -0.006 0.000 0.662 90 V HN 0.278 nan 8.190 nan 0.000 0.455 91 I N -0.190 120.388 120.570 0.014 0.000 2.406 91 I HA -0.130 4.040 4.170 -0.000 0.000 0.249 91 I C 2.117 178.238 176.117 0.007 0.000 1.122 91 I CA 1.232 62.599 61.300 0.112 0.000 1.431 91 I CB -0.350 37.721 38.000 0.119 0.000 1.087 91 I HN 0.276 nan 8.210 nan 0.000 0.424 92 D N -0.268 120.084 120.400 -0.079 0.000 2.234 92 D HA -0.079 4.560 4.640 -0.000 0.000 0.205 92 D C 1.858 178.175 176.300 0.029 0.000 0.962 92 D CA 1.222 55.190 54.000 -0.054 0.000 0.855 92 D CB 0.105 40.851 40.800 -0.089 0.000 0.951 92 D HN 0.517 nan 8.370 nan 0.000 0.500 93 H N -0.549 118.397 119.070 -0.207 0.000 2.320 93 H HA 0.217 4.773 4.556 -0.000 0.000 0.318 93 H C 2.083 177.213 175.328 -0.329 0.000 1.098 93 H CA -0.202 55.670 56.048 -0.293 0.000 1.569 93 H CB 0.235 29.788 29.762 -0.348 0.000 1.506 93 H HN -0.118 nan 8.280 nan 0.000 0.632 94 L N 0.983 122.076 121.223 -0.216 0.000 2.261 94 L HA -0.122 4.218 4.340 -0.000 0.000 0.216 94 L C 2.467 179.146 176.870 -0.318 0.000 1.114 94 L CA 1.059 55.635 54.840 -0.440 0.000 0.777 94 L CB -0.253 41.220 42.059 -0.977 0.000 0.910 94 L HN 0.411 nan 8.230 nan 0.000 0.440 95 G N -1.656 106.969 108.800 -0.292 0.000 2.441 95 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.212 95 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.212 95 G C 1.553 176.200 174.900 -0.422 0.000 1.164 95 G CA 0.728 45.458 45.100 -0.616 0.000 0.811 95 G HN 0.202 nan 8.290 nan 0.000 0.535 96 T N 1.526 115.918 114.554 -0.270 0.000 2.788 96 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 96 T C 2.351 176.878 174.700 -0.288 0.000 1.044 96 T CA 0.945 62.909 62.100 -0.227 0.000 1.139 96 T CB -0.119 68.646 68.868 -0.172 0.000 0.867 96 T HN 0.232 nan 8.240 nan 0.000 0.454 97 I N 0.976 121.320 120.570 -0.378 0.000 2.333 97 I HA -0.000 4.170 4.170 -0.000 0.000 0.246 97 I C 2.726 178.413 176.117 -0.716 0.000 1.106 97 I CA 0.882 61.864 61.300 -0.531 0.000 1.411 97 I CB -0.303 37.321 38.000 -0.627 0.000 1.082 97 I HN 0.128 nan 8.210 nan 0.000 0.420 98 A N 0.016 122.446 122.820 -0.649 0.000 2.167 98 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 98 A C 1.062 178.530 177.584 -0.192 0.000 1.151 98 A CA 0.498 52.286 52.037 -0.414 0.000 0.735 98 A CB -0.275 18.829 19.000 0.173 0.000 0.802 98 A HN 0.085 nan 8.150 nan 0.000 0.467 99 K N 0.628 120.887 120.400 -0.235 0.000 2.326 99 K HA 0.544 4.863 4.320 -0.000 0.000 0.275 99 K C 1.289 177.810 176.600 -0.132 0.000 1.018 99 K CA 0.709 56.908 56.287 -0.145 0.000 0.962 99 K CB 0.689 33.105 32.500 -0.140 0.000 0.953 99 K HN 0.329 nan 8.250 nan 0.000 0.475 100 S N 1.119 116.777 115.700 -0.070 0.000 2.288 100 S HA 0.112 4.582 4.470 -0.000 0.000 0.174 100 S C 1.357 175.934 174.600 -0.038 0.000 1.328 100 S CA 1.313 59.486 58.200 -0.045 0.000 2.112 100 S CB -0.605 62.587 63.200 -0.013 0.000 0.609 100 S HN 0.606 nan 8.310 nan 0.000 0.358 101 G N -2.486 106.313 108.800 -0.001 0.000 2.801 101 G HA2 0.433 4.393 3.960 -0.000 0.000 0.191 101 G HA3 0.433 4.393 3.960 -0.000 0.000 0.191 101 G C 1.175 176.128 174.900 0.089 0.000 1.223 101 G CA 1.406 46.522 45.100 0.027 0.000 0.904 101 G HN 0.876 nan 8.290 nan 0.000 0.789 102 T N 0.782 115.382 114.554 0.076 0.000 2.985 102 T HA 0.301 4.651 4.350 -0.000 0.000 0.266 102 T C 2.197 176.931 174.700 0.056 0.000 1.076 102 T CA 2.627 64.790 62.100 0.104 0.000 1.135 102 T CB -0.294 68.613 68.868 0.065 0.000 0.890 102 T HN 0.514 nan 8.240 nan 0.000 0.480 103 K N 1.644 122.056 120.400 0.020 0.000 1.995 103 K HA 0.101 4.420 4.320 -0.000 0.000 0.207 103 K C 2.550 179.139 176.600 -0.019 0.000 1.041 103 K CA 1.818 58.095 56.287 -0.017 0.000 0.942 103 K CB -1.177 31.305 32.500 -0.030 0.000 0.731 103 K HN 0.677 nan 8.250 nan 0.000 0.439 104 S N -0.608 115.087 115.700 -0.008 0.000 2.660 104 S HA 0.122 4.592 4.470 -0.000 0.000 0.223 104 S C 1.409 176.051 174.600 0.069 0.000 0.963 104 S CA 0.560 58.750 58.200 -0.017 0.000 0.932 104 S CB -0.433 62.731 63.200 -0.061 0.000 0.775 104 S HN 0.479 nan 8.310 nan 0.000 0.531 105 F N 1.790 121.699 119.950 -0.068 0.000 2.414 105 F HA 0.461 4.988 4.527 -0.000 0.000 0.255 105 F C 1.105 176.876 175.800 -0.048 0.000 1.032 105 F CA -0.233 57.733 58.000 -0.058 0.000 1.049 105 F CB -0.574 38.411 39.000 -0.026 0.000 1.140 105 F HN 0.133 nan 8.300 nan 0.000 0.643 106 L N 1.408 122.304 121.223 -0.545 0.000 2.777 106 L HA 0.051 4.390 4.340 -0.000 0.000 0.244 106 L C 1.288 177.958 176.870 -0.332 0.000 1.235 106 L CA 0.174 54.571 54.840 -0.739 0.000 1.062 106 L CB -0.414 41.299 42.059 -0.576 0.000 1.340 106 L HN 0.302 nan 8.230 nan 0.000 0.439 107 E N -0.069 119.997 120.200 -0.224 0.000 2.299 107 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 107 E C 1.865 178.374 176.600 -0.152 0.000 0.998 107 E CA 0.834 57.145 56.400 -0.148 0.000 0.851 107 E CB 0.268 29.908 29.700 -0.099 0.000 0.795 107 E HN 0.571 nan 8.360 nan 0.000 0.492 108 S N -1.215 114.371 115.700 -0.191 0.000 3.011 108 S HA -0.308 4.162 4.470 -0.000 0.000 0.278 108 S C 1.264 175.807 174.600 -0.095 0.000 1.300 108 S CA 2.655 60.769 58.200 -0.145 0.000 1.248 108 S CB -1.870 61.249 63.200 -0.135 0.000 1.517 108 S HN 0.549 nan 8.310 nan 0.000 0.685 109 L N -4.504 116.665 121.223 -0.089 0.000 1.437 109 L HA 0.784 5.123 4.340 -0.000 0.000 0.055 109 L C 1.665 178.495 176.870 -0.066 0.000 1.657 109 L CA 1.346 56.144 54.840 -0.070 0.000 1.024 109 L CB -1.261 40.764 42.059 -0.058 0.000 1.934 109 L HN 2.367 nan 8.230 nan 0.000 0.411 110 G N -1.340 107.425 108.800 -0.058 0.000 2.972 110 G HA2 0.164 4.124 3.960 -0.000 0.000 0.265 110 G HA3 0.164 4.124 3.960 -0.000 0.000 0.265 110 G C 1.446 176.322 174.900 -0.041 0.000 1.506 110 G CA 2.401 47.471 45.100 -0.049 0.000 1.016 110 G HN 2.457 nan 8.290 nan 0.000 0.563 111 S N -0.216 115.461 115.700 -0.040 0.000 2.497 111 S HA 0.547 5.017 4.470 -0.000 0.000 0.218 111 S C 0.631 175.209 174.600 -0.037 0.000 1.023 111 S CA 1.961 60.140 58.200 -0.034 0.000 0.913 111 S CB 0.336 63.518 63.200 -0.030 0.000 0.800 111 S HN 1.222 nan 8.310 nan 0.000 0.505 112 D N -2.679 117.693 120.400 -0.046 0.000 2.725 112 D HA 0.433 5.073 4.640 -0.000 0.000 0.292 112 D C 0.024 176.285 176.300 -0.065 0.000 1.288 112 D CA -0.291 53.679 54.000 -0.049 0.000 0.784 112 D CB 0.835 41.609 40.800 -0.044 0.000 1.308 112 D HN -0.083 nan 8.370 nan 0.000 0.429 113 Q N 0.455 120.213 119.800 -0.071 0.000 2.642 113 Q HA 0.495 4.834 4.340 -0.000 0.000 0.202 113 Q C 1.485 177.416 176.000 -0.115 0.000 0.845 113 Q CA 1.406 57.154 55.803 -0.093 0.000 0.873 113 Q CB -0.357 28.325 28.738 -0.093 0.000 1.190 113 Q HN 0.403 nan 8.270 nan 0.000 0.642 114 A N 0.831 123.587 122.820 -0.106 0.000 2.067 114 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 114 A C 2.145 179.654 177.584 -0.125 0.000 1.158 114 A CA 1.959 53.920 52.037 -0.128 0.000 0.661 114 A CB -0.948 17.994 19.000 -0.097 0.000 0.801 114 A HN 0.430 nan 8.150 nan 0.000 0.452 115 K N 0.068 120.407 120.400 -0.101 0.000 2.057 115 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 115 K C 1.647 178.146 176.600 -0.168 0.000 1.050 115 K CA 1.736 57.956 56.287 -0.112 0.000 0.935 115 K CB -0.865 31.587 32.500 -0.079 0.000 0.715 115 K HN 0.587 nan 8.250 nan 0.000 0.439 116 D N 0.090 120.395 120.400 -0.157 0.000 2.123 116 D HA -0.054 4.586 4.640 -0.000 0.000 0.200 116 D C 2.606 178.783 176.300 -0.206 0.000 0.976 116 D CA 1.646 55.536 54.000 -0.185 0.000 0.831 116 D CB -0.237 40.475 40.800 -0.147 0.000 0.974 116 D HN 0.547 nan 8.370 nan 0.000 0.469 117 S N 0.760 116.347 115.700 -0.189 0.000 2.370 117 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 117 S C 2.242 176.722 174.600 -0.199 0.000 1.033 117 S CA 2.498 60.580 58.200 -0.196 0.000 1.011 117 S CB -0.875 62.194 63.200 -0.218 0.000 0.852 117 S HN 0.325 nan 8.310 nan 0.000 0.457 118 Q N -0.019 119.657 119.800 -0.208 0.000 2.230 118 Q HA 0.395 4.734 4.340 -0.000 0.000 0.202 118 Q C 2.603 178.427 176.000 -0.293 0.000 0.963 118 Q CA 1.770 57.445 55.803 -0.213 0.000 0.866 118 Q CB -1.774 26.858 28.738 -0.176 0.000 0.931 118 Q HN 1.257 nan 8.270 nan 0.000 0.452 119 L N 0.050 121.053 121.223 -0.368 0.000 2.027 119 L HA 0.127 4.467 4.340 -0.000 0.000 0.206 119 L C 2.771 179.419 176.870 -0.370 0.000 1.074 119 L CA 2.008 56.515 54.840 -0.556 0.000 0.745 119 L CB -1.220 40.439 42.059 -0.667 0.000 0.898 119 L HN 0.641 nan 8.230 nan 0.000 0.433 120 I N 0.625 121.033 120.570 -0.269 0.000 2.657 120 I HA -0.179 3.991 4.170 -0.000 0.000 0.261 120 I C 2.627 178.657 176.117 -0.145 0.000 1.212 120 I CA 0.827 62.020 61.300 -0.179 0.000 1.453 120 I CB -1.096 36.808 38.000 -0.160 0.000 1.092 120 I HN 0.488 nan 8.210 nan 0.000 0.452 121 G N 0.902 109.591 108.800 -0.184 0.000 2.771 121 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.214 121 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.214 121 G C 1.460 176.220 174.900 -0.232 0.000 1.331 121 G CA 1.252 46.237 45.100 -0.193 0.000 0.812 121 G HN 0.331 nan 8.290 nan 0.000 0.628 122 Q N -0.330 119.246 119.800 -0.373 0.000 2.137 122 Q HA 0.140 4.480 4.340 -0.000 0.000 0.198 122 Q C 2.237 178.134 176.000 -0.171 0.000 0.960 122 Q CA 1.323 56.919 55.803 -0.345 0.000 0.847 122 Q CB -0.336 28.120 28.738 -0.469 0.000 0.915 122 Q HN 0.581 nan 8.270 nan 0.000 0.448 123 F N -1.084 118.685 119.950 -0.303 0.000 2.335 123 F HA 0.195 4.721 4.527 -0.000 0.000 0.296 123 F C 2.114 177.822 175.800 -0.153 0.000 1.091 123 F CA 0.378 58.246 58.000 -0.220 0.000 1.399 123 F CB -0.364 38.491 39.000 -0.242 0.000 1.067 123 F HN 0.260 nan 8.300 nan 0.000 0.520 124 G N 1.062 109.868 108.800 0.010 0.000 2.491 124 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.218 124 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.218 124 G C 1.903 176.814 174.900 0.019 0.000 1.180 124 G CA 1.573 46.663 45.100 -0.016 0.000 0.774 124 G HN 0.346 nan 8.290 nan 0.000 0.562 125 V N 1.499 121.360 119.914 -0.090 0.000 2.220 125 V HA -0.075 4.045 4.120 -0.000 0.000 0.250 125 V C 2.994 179.042 176.094 -0.076 0.000 1.056 125 V CA 3.611 65.817 62.300 -0.157 0.000 1.016 125 V CB -1.434 30.168 31.823 -0.369 0.000 0.639 125 V HN 0.482 nan 8.190 nan 0.000 0.446 126 G N -1.126 107.614 108.800 -0.101 0.000 2.553 126 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.218 126 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.218 126 G C 1.603 176.527 174.900 0.040 0.000 1.195 126 G CA 1.490 46.553 45.100 -0.062 0.000 0.779 126 G HN 0.735 nan 8.290 nan 0.000 0.577 127 F N 1.291 121.218 119.950 -0.039 0.000 2.025 127 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 127 F C 3.100 178.983 175.800 0.138 0.000 1.171 127 F CA 3.603 61.635 58.000 0.052 0.000 1.204 127 F CB -0.961 38.068 39.000 0.049 0.000 0.948 127 F HN 0.282 nan 8.300 nan 0.000 0.512 128 Y N 0.244 120.797 120.300 0.422 0.000 2.151 128 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 128 Y C 2.790 178.759 175.900 0.116 0.000 1.166 128 Y CA 2.839 61.111 58.100 0.287 0.000 1.163 128 Y CB -1.879 36.731 38.460 0.250 0.000 0.974 128 Y HN 0.419 nan 8.280 nan 0.000 0.511 129 S N 0.698 116.439 115.700 0.069 0.000 2.359 129 S HA -0.123 4.346 4.470 -0.000 0.000 0.223 129 S C 2.383 176.955 174.600 -0.047 0.000 1.039 129 S CA 2.046 60.268 58.200 0.036 0.000 1.042 129 S CB -1.315 61.910 63.200 0.043 0.000 0.915 129 S HN 1.536 nan 8.310 nan 0.000 0.439 130 A N 0.953 123.698 122.820 -0.125 0.000 1.917 130 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 130 A C 1.950 179.241 177.584 -0.488 0.000 1.182 130 A CA 1.582 53.382 52.037 -0.396 0.000 0.633 130 A CB -1.200 17.545 19.000 -0.424 0.000 0.819 130 A HN 0.608 nan 8.150 nan 0.000 0.448 131 F N -0.361 119.393 119.950 -0.326 0.000 2.748 131 F HA 0.011 4.537 4.527 -0.001 0.000 0.299 131 F C 1.867 177.551 175.800 -0.193 0.000 1.154 131 F CA 0.050 57.884 58.000 -0.278 0.000 1.446 131 F CB 0.116 38.942 39.000 -0.290 0.000 1.112 131 F HN 0.144 nan 8.300 nan 0.000 0.584 132 I N -0.221 120.329 120.570 -0.032 0.000 2.252 132 I HA -0.177 3.992 4.170 -0.000 0.000 0.245 132 I C 2.494 178.538 176.117 -0.123 0.000 1.102 132 I CA 1.478 62.755 61.300 -0.039 0.000 1.385 132 I CB -1.177 36.819 38.000 -0.007 0.000 1.064 132 I HN 0.109 nan 8.210 nan 0.000 0.414 133 V N -1.511 118.226 119.914 -0.294 0.000 2.992 133 V HA 0.429 4.549 4.120 -0.000 0.000 0.250 133 V C 1.041 176.910 176.094 -0.374 0.000 1.090 133 V CA 0.371 62.426 62.300 -0.408 0.000 1.101 133 V CB -0.541 30.774 31.823 -0.846 0.000 0.743 133 V HN 0.203 nan 8.190 nan 0.000 0.468 134 A N 1.286 123.868 122.820 -0.397 0.000 2.386 134 A HA 0.730 5.049 4.320 -0.000 0.000 0.308 134 A C 0.258 177.699 177.584 -0.238 0.000 1.128 134 A CA 0.133 51.952 52.037 -0.363 0.000 0.789 134 A CB 1.615 20.323 19.000 -0.486 0.000 1.325 134 A HN 0.416 nan 8.150 nan 0.000 0.437 135 D N -0.453 119.820 120.400 -0.211 0.000 2.473 135 D HA 0.101 4.741 4.640 -0.000 0.000 0.242 135 D C 0.329 176.654 176.300 0.041 0.000 1.106 135 D CA 0.304 54.264 54.000 -0.067 0.000 0.854 135 D CB 0.345 41.041 40.800 -0.174 0.000 1.192 135 D HN 0.426 nan 8.370 nan 0.000 0.503 136 K N 1.333 121.716 120.400 -0.027 0.000 2.471 136 K HA 0.494 4.814 4.320 -0.000 0.000 0.252 136 K C -1.740 174.813 176.600 -0.077 0.000 0.938 136 K CA -0.650 55.688 56.287 0.085 0.000 0.796 136 K CB 2.699 35.322 32.500 0.205 0.000 1.161 136 K HN -0.129 nan 8.250 nan 0.000 0.425 137 V N 2.466 122.298 119.914 -0.136 0.000 2.628 137 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 137 V C -0.457 175.677 176.094 0.067 0.000 1.045 137 V CA -0.685 61.497 62.300 -0.196 0.000 0.905 137 V CB 1.911 33.396 31.823 -0.562 0.000 0.997 137 V HN 0.870 nan 8.190 nan 0.000 0.436 138 T N 3.505 118.094 114.554 0.058 0.000 2.890 138 T HA 0.546 4.896 4.350 -0.000 0.000 0.295 138 T C -0.399 174.362 174.700 0.101 0.000 0.993 138 T CA -0.280 61.871 62.100 0.084 0.000 0.979 138 T CB 1.439 70.361 68.868 0.090 0.000 0.967 138 T HN 0.390 nan 8.240 nan 0.000 0.441 139 V N 3.496 123.501 119.914 0.151 0.000 2.837 139 V HA 0.676 4.795 4.120 -0.000 0.000 0.310 139 V C 0.410 176.557 176.094 0.087 0.000 1.059 139 V CA -0.962 61.396 62.300 0.096 0.000 1.004 139 V CB 1.713 33.574 31.823 0.064 0.000 1.045 139 V HN 0.750 nan 8.190 nan 0.000 0.465 140 R N 1.061 121.621 120.500 0.099 0.000 3.179 140 R HA 0.306 4.646 4.340 -0.000 0.000 0.231 140 R C -0.565 175.793 176.300 0.097 0.000 1.796 140 R CA -0.051 56.137 56.100 0.146 0.000 1.233 140 R CB 1.396 31.801 30.300 0.174 0.000 1.545 140 R HN 1.015 nan 8.270 nan 0.000 0.552 141 T N -0.475 114.131 114.554 0.086 0.000 2.923 141 T HA 0.543 4.893 4.350 -0.000 0.000 0.281 141 T C -0.364 174.365 174.700 0.049 0.000 0.995 141 T CA -0.596 61.535 62.100 0.052 0.000 0.985 141 T CB 1.557 70.444 68.868 0.032 0.000 1.114 141 T HN 0.332 nan 8.240 nan 0.000 0.548 142 R N 1.364 121.881 120.500 0.028 0.000 3.009 142 R HA 0.445 4.784 4.340 -0.000 0.000 0.278 142 R C -0.716 175.588 176.300 0.005 0.000 1.515 142 R CA -0.333 55.779 56.100 0.020 0.000 1.055 142 R CB 0.764 31.078 30.300 0.023 0.000 1.345 142 R HN 0.989 nan 8.270 nan 0.000 0.421 143 A N 2.578 125.396 122.820 -0.004 0.000 2.540 143 A HA 0.436 4.756 4.320 -0.000 0.000 0.239 143 A C 0.551 178.122 177.584 -0.022 0.000 1.061 143 A CA 0.476 52.503 52.037 -0.016 0.000 0.758 143 A CB 0.233 19.216 19.000 -0.028 0.000 0.991 143 A HN 0.789 nan 8.150 nan 0.000 0.502 144 A N 1.819 124.621 122.820 -0.030 0.000 2.566 144 A HA 0.461 4.781 4.320 -0.000 0.000 0.245 144 A C 1.734 179.289 177.584 -0.049 0.000 1.056 144 A CA 1.034 53.047 52.037 -0.040 0.000 0.757 144 A CB -0.775 18.188 19.000 -0.062 0.000 0.979 144 A HN 2.784 nan 8.150 nan 0.000 0.508 145 G N 1.414 110.191 108.800 -0.040 0.000 2.358 145 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.224 145 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.224 145 G C 0.256 175.140 174.900 -0.027 0.000 1.073 145 G CA 0.239 45.315 45.100 -0.040 0.000 0.635 145 G HN 0.815 nan 8.290 nan 0.000 0.509 146 E N 1.787 121.972 120.200 -0.024 0.000 2.404 146 E HA 0.269 4.619 4.350 -0.000 0.000 0.261 146 E C 0.490 177.085 176.600 -0.009 0.000 1.074 146 E CA -0.017 56.373 56.400 -0.017 0.000 0.917 146 E CB 0.462 30.154 29.700 -0.014 0.000 0.965 146 E HN 0.504 nan 8.360 nan 0.000 0.433 147 K N 2.998 123.394 120.400 -0.006 0.000 2.401 147 K HA 0.046 4.366 4.320 -0.000 0.000 0.278 147 K C -1.542 175.060 176.600 0.003 0.000 1.018 147 K CA -1.274 55.012 56.287 -0.002 0.000 0.981 147 K CB 0.322 32.821 32.500 -0.002 0.000 0.933 147 K HN 0.239 nan 8.250 nan 0.000 0.477 148 P HA -0.162 nan 4.420 nan 0.000 0.228 148 P C -0.023 177.284 177.300 0.012 0.000 1.151 148 P CA 1.282 64.387 63.100 0.010 0.000 0.770 148 P CB 0.225 31.930 31.700 0.009 0.000 0.786 149 E N -0.411 119.794 120.200 0.009 0.000 2.299 149 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 149 E C 1.275 177.883 176.600 0.013 0.000 0.998 149 E CA 0.355 56.760 56.400 0.009 0.000 0.851 149 E CB -0.505 29.197 29.700 0.004 0.000 0.795 149 E HN 0.216 nan 8.360 nan 0.000 0.492 150 N N 1.260 119.967 118.700 0.012 0.000 2.314 150 N HA 0.047 4.787 4.740 -0.000 0.000 0.200 150 N C 0.517 176.041 175.510 0.024 0.000 1.135 150 N CA 0.293 53.352 53.050 0.015 0.000 0.835 150 N CB 0.289 38.780 38.487 0.006 0.000 0.989 150 N HN 0.110 nan 8.380 nan 0.000 0.478 151 G N 0.093 108.912 108.800 0.031 0.000 2.744 151 G HA2 0.295 4.255 3.960 -0.000 0.000 0.257 151 G HA3 0.295 4.255 3.960 -0.000 0.000 0.257 151 G C -0.075 174.868 174.900 0.072 0.000 1.244 151 G CA 0.020 45.148 45.100 0.047 0.000 0.916 151 G HN 0.011 nan 8.290 nan 0.000 0.564 152 V N -0.781 119.194 119.914 0.102 0.000 3.114 152 V HA 0.702 4.822 4.120 -0.000 0.000 0.308 152 V C -1.017 175.223 176.094 0.244 0.000 1.168 152 V CA -0.672 61.718 62.300 0.150 0.000 1.015 152 V CB 1.987 33.878 31.823 0.114 0.000 1.050 152 V HN 0.795 nan 8.190 nan 0.000 0.433 153 F N 1.522 121.542 119.950 0.117 0.000 2.588 153 F HA 0.839 5.365 4.527 -0.000 0.000 0.310 153 F C -1.803 174.149 175.800 0.253 0.000 1.082 153 F CA -0.807 57.282 58.000 0.148 0.000 0.929 153 F CB 2.182 41.230 39.000 0.081 0.000 1.254 153 F HN 0.639 nan 8.300 nan 0.000 0.455 154 W N 5.645 126.284 121.300 -1.102 0.000 3.372 154 W HA 0.565 5.224 4.660 -0.001 0.000 0.315 154 W C -1.979 174.044 176.519 -0.827 0.000 1.223 154 W CA -0.325 56.584 57.345 -0.727 0.000 1.202 154 W CB 1.618 30.952 29.460 -0.209 0.000 1.367 154 W HN 0.794 nan 8.180 nan 0.000 0.531 155 E N 3.233 122.781 120.200 -1.087 0.000 2.392 155 E HA 0.629 4.979 4.350 -0.000 0.000 0.279 155 E C -1.755 174.310 176.600 -0.893 0.000 0.964 155 E CA -0.614 55.364 56.400 -0.704 0.000 0.777 155 E CB 2.254 31.759 29.700 -0.326 0.000 1.249 155 E HN 0.269 nan 8.360 nan 0.000 0.449 156 S N 1.279 116.747 115.700 -0.386 0.000 2.565 156 S HA 0.579 5.048 4.470 -0.000 0.000 0.274 156 S C -1.310 173.388 174.600 0.164 0.000 1.144 156 S CA 0.109 58.215 58.200 -0.156 0.000 0.849 156 S CB 1.362 64.449 63.200 -0.188 0.000 1.103 156 S HN 0.685 nan 8.310 nan 0.000 0.455 157 A N 1.782 124.654 122.820 0.087 0.000 2.579 157 A HA 0.561 4.881 4.320 -0.000 0.000 0.273 157 A C 1.628 179.188 177.584 -0.041 0.000 1.363 157 A CA 0.632 52.749 52.037 0.134 0.000 0.953 157 A CB -1.679 17.355 19.000 0.056 0.000 1.034 157 A HN 2.268 nan 8.150 nan 0.000 0.536 158 G N -0.703 107.903 108.800 -0.324 0.000 2.353 158 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.258 158 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.258 158 G C 0.510 175.217 174.900 -0.322 0.000 1.013 158 G CA 0.714 45.265 45.100 -0.915 0.000 0.622 158 G HN 0.560 nan 8.290 nan 0.000 0.535 159 E N 0.090 120.200 120.200 -0.150 0.000 3.056 159 E HA 0.311 4.661 4.350 -0.000 0.000 0.275 159 E C 1.732 178.320 176.600 -0.020 0.000 1.468 159 E CA 0.359 56.718 56.400 -0.067 0.000 1.219 159 E CB -0.469 29.209 29.700 -0.036 0.000 1.119 159 E HN 0.442 nan 8.360 nan 0.000 0.710 160 G N 0.486 109.287 108.800 0.002 0.000 3.262 160 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.222 160 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.222 160 G C -0.150 174.794 174.900 0.074 0.000 1.269 160 G CA 0.247 45.364 45.100 0.029 0.000 1.032 160 G HN 0.334 nan 8.290 nan 0.000 0.502 161 E N -0.280 119.971 120.200 0.085 0.000 2.281 161 E HA 0.449 4.798 4.350 -0.000 0.000 0.266 161 E C -1.417 175.255 176.600 0.119 0.000 0.893 161 E CA -1.191 55.271 56.400 0.103 0.000 0.798 161 E CB 1.124 30.833 29.700 0.015 0.000 1.245 161 E HN 0.178 nan 8.360 nan 0.000 0.410 162 Y N -0.261 119.976 120.300 -0.107 0.000 2.509 162 Y HA 0.779 5.328 4.550 -0.000 0.000 0.341 162 Y C -0.836 174.872 175.900 -0.320 0.000 1.038 162 Y CA -1.560 56.354 58.100 -0.310 0.000 1.089 162 Y CB 1.927 40.338 38.460 -0.082 0.000 1.241 162 Y HN 0.302 nan 8.280 nan 0.000 0.468 163 T N 3.508 117.678 114.554 -0.641 0.000 2.847 163 T HA 0.525 4.874 4.350 -0.000 0.000 0.291 163 T C -1.522 172.953 174.700 -0.374 0.000 0.998 163 T CA -0.627 61.202 62.100 -0.451 0.000 0.967 163 T CB 0.976 69.715 68.868 -0.215 0.000 0.954 163 T HN 0.802 nan 8.240 nan 0.000 0.441 164 V N 2.852 122.655 119.914 -0.185 0.000 2.588 164 V HA 0.955 5.075 4.120 -0.000 0.000 0.304 164 V C -1.328 174.847 176.094 0.135 0.000 1.042 164 V CA -0.549 61.786 62.300 0.058 0.000 0.877 164 V CB 1.338 33.273 31.823 0.186 0.000 0.996 164 V HN 1.078 nan 8.190 nan 0.000 0.425 165 A N 4.192 127.174 122.820 0.270 0.000 2.459 165 A HA 0.623 4.942 4.320 -0.000 0.000 0.296 165 A C -0.808 176.879 177.584 0.171 0.000 1.039 165 A CA -0.632 51.518 52.037 0.188 0.000 0.698 165 A CB 1.377 20.470 19.000 0.155 0.000 1.261 165 A HN 0.922 nan 8.150 nan 0.000 0.405 166 D N 1.229 121.687 120.400 0.096 0.000 2.658 166 D HA 0.237 4.877 4.640 -0.000 0.000 0.230 166 D C 0.290 176.627 176.300 0.061 0.000 1.118 166 D CA 1.684 55.726 54.000 0.069 0.000 0.848 166 D CB -0.080 40.741 40.800 0.036 0.000 1.160 166 D HN 0.629 nan 8.370 nan 0.000 0.497 167 I N -1.221 119.392 120.570 0.070 0.000 3.354 167 I HA 0.529 4.699 4.170 -0.000 0.000 0.316 167 I C -0.775 175.364 176.117 0.037 0.000 1.182 167 I CA -0.900 60.424 61.300 0.041 0.000 0.942 167 I CB 2.249 40.281 38.000 0.053 0.000 1.299 167 I HN 0.024 nan 8.210 nan 0.000 0.473 168 T N 1.909 116.476 114.554 0.021 0.000 2.794 168 T HA 0.471 4.820 4.350 -0.000 0.000 0.280 168 T C -0.709 174.008 174.700 0.029 0.000 0.987 168 T CA -0.489 61.624 62.100 0.020 0.000 0.993 168 T CB 0.921 69.793 68.868 0.008 0.000 0.939 168 T HN 0.627 nan 8.240 nan 0.000 0.449 169 K N 2.687 123.105 120.400 0.031 0.000 2.687 169 K HA 0.227 4.547 4.320 -0.000 0.000 0.249 169 K C 0.777 177.391 176.600 0.023 0.000 0.994 169 K CA -0.474 55.832 56.287 0.032 0.000 0.913 169 K CB 1.150 33.677 32.500 0.046 0.000 1.202 169 K HN 0.435 nan 8.250 nan 0.000 0.460 170 E N 1.869 122.080 120.200 0.019 0.000 2.058 170 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 170 E C -0.153 176.455 176.600 0.014 0.000 0.997 170 E CA 1.889 58.297 56.400 0.015 0.000 0.801 170 E CB 0.051 29.759 29.700 0.014 0.000 0.746 170 E HN 0.832 nan 8.360 nan 0.000 0.450 171 D N -0.598 119.810 120.400 0.013 0.000 2.352 171 D HA 0.000 4.640 4.640 -0.000 0.000 0.238 171 D C 0.533 176.839 176.300 0.010 0.000 1.286 171 D CA -0.185 53.821 54.000 0.009 0.000 0.923 171 D CB 0.582 41.383 40.800 0.002 0.000 1.146 171 D HN -0.114 nan 8.370 nan 0.000 0.471 172 R N -0.292 120.212 120.500 0.008 0.000 2.720 172 R HA 0.536 4.876 4.340 -0.000 0.000 0.272 172 R C 0.364 176.666 176.300 0.004 0.000 0.991 172 R CA 0.087 56.191 56.100 0.008 0.000 1.010 172 R CB 0.840 31.147 30.300 0.011 0.000 1.141 172 R HN 0.831 nan 8.270 nan 0.000 0.494 173 G N 0.761 109.564 108.800 0.004 0.000 2.418 173 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.206 173 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.206 173 G C -1.207 173.696 174.900 0.006 0.000 1.202 173 G CA -0.300 44.801 45.100 0.002 0.000 1.061 173 G HN 0.678 nan 8.290 nan 0.000 0.563 174 T N 0.464 115.019 114.554 0.001 0.000 2.909 174 T HA 0.622 4.972 4.350 -0.000 0.000 0.299 174 T C -1.029 173.674 174.700 0.004 0.000 1.073 174 T CA -0.170 61.935 62.100 0.008 0.000 0.999 174 T CB 2.151 71.022 68.868 0.006 0.000 1.098 174 T HN 0.766 nan 8.240 nan 0.000 0.477 175 E N 2.816 123.029 120.200 0.021 0.000 2.216 175 E HA 0.508 4.858 4.350 -0.000 0.000 0.260 175 E C -1.165 175.454 176.600 0.033 0.000 0.880 175 E CA -0.535 55.879 56.400 0.025 0.000 0.765 175 E CB 0.857 30.581 29.700 0.040 0.000 1.174 175 E HN 0.517 nan 8.360 nan 0.000 0.417 176 I N 3.671 124.251 120.570 0.017 0.000 2.377 176 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 176 I C -0.369 175.757 176.117 0.014 0.000 0.987 176 I CA -0.502 60.803 61.300 0.009 0.000 1.185 176 I CB 2.022 40.010 38.000 -0.020 0.000 1.341 176 I HN 0.465 nan 8.210 nan 0.000 0.455 177 T N 7.058 121.619 114.554 0.012 0.000 2.861 177 T HA 0.595 4.945 4.350 -0.000 0.000 0.287 177 T C -0.509 174.169 174.700 -0.038 0.000 1.003 177 T CA -0.499 61.608 62.100 0.012 0.000 0.977 177 T CB 1.763 70.658 68.868 0.044 0.000 0.996 177 T HN 0.208 nan 8.240 nan 0.000 0.448 178 L N 2.840 124.029 121.223 -0.057 0.000 2.318 178 L HA 0.349 4.688 4.340 -0.000 0.000 0.277 178 L C 0.338 177.186 176.870 -0.037 0.000 1.008 178 L CA -0.644 54.115 54.840 -0.135 0.000 0.846 178 L CB 0.833 42.730 42.059 -0.270 0.000 1.220 178 L HN 0.732 nan 8.230 nan 0.000 0.423 179 H N 4.405 123.396 119.070 -0.133 0.000 3.082 179 H HA 0.211 4.767 4.556 -0.000 0.000 0.275 179 H C -0.375 174.878 175.328 -0.126 0.000 1.032 179 H CA -0.603 55.390 56.048 -0.092 0.000 1.477 179 H CB 0.540 30.265 29.762 -0.062 0.000 1.520 179 H HN 0.479 nan 8.280 nan 0.000 0.521 180 L N 5.734 126.995 121.223 0.063 0.000 2.397 180 L HA 0.195 4.535 4.340 -0.000 0.000 0.271 180 L C 0.665 177.447 176.870 -0.146 0.000 1.148 180 L CA -0.177 54.614 54.840 -0.082 0.000 0.825 180 L CB 0.760 42.817 42.059 -0.004 0.000 1.117 180 L HN 0.647 nan 8.230 nan 0.000 0.456 181 R N 1.552 121.956 120.500 -0.160 0.000 2.490 181 R HA 0.257 4.597 4.340 -0.000 0.000 0.280 181 R C 0.108 176.374 176.300 -0.057 0.000 1.077 181 R CA -0.298 55.719 56.100 -0.138 0.000 1.065 181 R CB 0.371 30.605 30.300 -0.109 0.000 1.003 181 R HN 0.679 nan 8.270 nan 0.000 0.470 182 E N 1.330 121.500 120.200 -0.050 0.000 2.752 182 E HA 0.167 4.516 4.350 -0.000 0.000 0.241 182 E C 1.067 177.677 176.600 0.015 0.000 1.016 182 E CA 0.556 56.953 56.400 -0.005 0.000 0.952 182 E CB -0.537 29.160 29.700 -0.004 0.000 0.921 182 E HN 0.848 nan 8.360 nan 0.000 0.515 183 G N 2.030 110.851 108.800 0.036 0.000 2.138 183 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.193 183 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.193 183 G C 0.270 175.216 174.900 0.077 0.000 0.998 183 G CA 0.183 45.313 45.100 0.050 0.000 0.668 183 G HN 0.564 nan 8.290 nan 0.000 0.516 184 E N 0.577 120.836 120.200 0.099 0.000 2.736 184 E HA 0.214 4.564 4.350 -0.000 0.000 0.208 184 E C 0.697 177.431 176.600 0.223 0.000 0.996 184 E CA -0.027 56.490 56.400 0.194 0.000 1.104 184 E CB 0.086 29.914 29.700 0.214 0.000 1.111 184 E HN 0.514 nan 8.360 nan 0.000 0.455 185 D N 1.227 121.700 120.400 0.123 0.000 2.357 185 D HA -0.208 4.431 4.640 -0.000 0.000 0.216 185 D C 1.608 177.932 176.300 0.040 0.000 0.973 185 D CA 0.741 54.799 54.000 0.096 0.000 0.912 185 D CB 0.082 40.922 40.800 0.067 0.000 0.900 185 D HN 0.342 nan 8.370 nan 0.000 0.501 186 E N -0.278 119.914 120.200 -0.014 0.000 2.233 186 E HA -0.223 4.126 4.350 -0.000 0.000 0.199 186 E C 0.638 176.978 176.600 -0.434 0.000 1.004 186 E CA 0.901 57.144 56.400 -0.261 0.000 0.819 186 E CB -0.060 29.394 29.700 -0.409 0.000 0.738 186 E HN 0.405 nan 8.360 nan 0.000 0.478 187 F N -0.620 119.301 119.950 -0.048 0.000 2.693 187 F HA 0.208 4.734 4.527 -0.000 0.000 0.303 187 F C 1.078 176.851 175.800 -0.046 0.000 1.097 187 F CA -0.033 57.939 58.000 -0.046 0.000 1.330 187 F CB 0.520 39.548 39.000 0.047 0.000 1.067 187 F HN -0.042 nan 8.300 nan 0.000 0.565 188 L N -0.581 120.706 121.223 0.105 0.000 2.667 188 L HA 0.181 4.521 4.340 -0.000 0.000 0.232 188 L C -0.360 176.577 176.870 0.112 0.000 1.138 188 L CA 0.060 55.043 54.840 0.238 0.000 0.921 188 L CB -0.114 42.077 42.059 0.221 0.000 1.180 188 L HN -0.129 nan 8.230 nan 0.000 0.487 189 D N 0.436 120.662 120.400 -0.291 0.000 2.359 189 D HA 0.006 4.646 4.640 -0.000 0.000 0.230 189 D C 0.885 176.764 176.300 -0.703 0.000 1.118 189 D CA -0.019 53.548 54.000 -0.721 0.000 0.844 189 D CB 1.564 41.389 40.800 -1.625 0.000 1.059 189 D HN -0.041 nan 8.370 nan 0.000 0.493 190 D N 2.389 122.652 120.400 -0.229 0.000 2.170 190 D HA -0.202 4.437 4.640 -0.000 0.000 0.193 190 D C 1.823 178.059 176.300 -0.107 0.000 1.004 190 D CA 1.365 55.302 54.000 -0.105 0.000 0.860 190 D CB 0.138 41.043 40.800 0.176 0.000 0.931 190 D HN 0.672 nan 8.370 nan 0.000 0.448 191 W N 1.005 122.289 121.300 -0.026 0.000 2.441 191 W HA 0.036 4.695 4.660 -0.000 0.000 0.302 191 W C 2.292 178.782 176.519 -0.048 0.000 1.191 191 W CA 0.735 58.061 57.345 -0.032 0.000 1.327 191 W CB -0.962 28.487 29.460 -0.018 0.000 1.128 191 W HN -0.188 nan 8.180 nan 0.000 0.522 192 R N 1.795 121.736 120.500 -0.931 0.000 2.096 192 R HA -0.171 4.168 4.340 -0.000 0.000 0.240 192 R C 1.884 178.014 176.300 -0.283 0.000 1.139 192 R CA 2.656 58.423 56.100 -0.555 0.000 0.952 192 R CB -1.271 28.566 30.300 -0.772 0.000 0.854 192 R HN 0.283 nan 8.270 nan 0.000 0.436 193 V N 1.224 120.946 119.914 -0.320 0.000 2.237 193 V HA -0.223 3.896 4.120 -0.000 0.000 0.245 193 V C 2.544 178.565 176.094 -0.122 0.000 1.046 193 V CA 2.231 64.411 62.300 -0.199 0.000 1.007 193 V CB -0.498 31.136 31.823 -0.315 0.000 0.638 193 V HN 0.366 nan 8.190 nan 0.000 0.445 194 R N -0.031 120.399 120.500 -0.117 0.000 2.103 194 R HA -0.213 4.126 4.340 -0.000 0.000 0.242 194 R C 2.654 178.944 176.300 -0.016 0.000 1.142 194 R CA 1.883 57.956 56.100 -0.046 0.000 0.960 194 R CB -0.830 29.466 30.300 -0.008 0.000 0.858 194 R HN 0.576 nan 8.270 nan 0.000 0.439 195 S N 0.887 116.585 115.700 -0.004 0.000 2.351 195 S HA -0.132 4.338 4.470 -0.000 0.000 0.220 195 S C 2.033 176.626 174.600 -0.011 0.000 1.035 195 S CA 1.167 59.371 58.200 0.007 0.000 1.031 195 S CB -0.128 63.095 63.200 0.038 0.000 0.928 195 S HN 0.176 nan 8.310 nan 0.000 0.433 196 I N 2.121 122.688 120.570 -0.005 0.000 2.423 196 I HA -0.131 4.039 4.170 -0.000 0.000 0.254 196 I C 2.222 178.400 176.117 0.102 0.000 1.151 196 I CA 0.906 62.236 61.300 0.050 0.000 1.421 196 I CB -1.306 36.730 38.000 0.059 0.000 1.079 196 I HN 0.368 nan 8.210 nan 0.000 0.431 197 I N 1.171 121.762 120.570 0.036 0.000 2.090 197 I HA -0.261 3.909 4.170 -0.000 0.000 0.236 197 I C 2.867 179.007 176.117 0.039 0.000 1.064 197 I CA 1.965 63.288 61.300 0.039 0.000 1.324 197 I CB -1.513 36.486 38.000 -0.001 0.000 1.044 197 I HN 0.280 nan 8.210 nan 0.000 0.399 198 S N 1.397 117.094 115.700 -0.006 0.000 2.383 198 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 198 S C 2.112 176.665 174.600 -0.078 0.000 1.030 198 S CA 1.639 59.820 58.200 -0.031 0.000 1.002 198 S CB -1.065 62.118 63.200 -0.027 0.000 0.829 198 S HN 0.479 nan 8.310 nan 0.000 0.467 199 K N 0.031 120.344 120.400 -0.145 0.000 2.589 199 K HA 0.045 4.364 4.320 -0.000 0.000 0.195 199 K C 1.066 177.243 176.600 -0.704 0.000 1.040 199 K CA 1.368 57.431 56.287 -0.373 0.000 0.950 199 K CB -1.216 31.020 32.500 -0.440 0.000 0.781 199 K HN 0.883 nan 8.250 nan 0.000 0.486 200 Y N -3.080 117.207 120.300 -0.021 0.000 2.689 200 Y HA 0.213 4.763 4.550 -0.000 0.000 0.265 200 Y C 3.083 178.823 175.900 -0.268 0.000 1.175 200 Y CA 0.026 58.091 58.100 -0.057 0.000 1.120 200 Y CB 0.082 38.514 38.460 -0.047 0.000 1.356 200 Y HN 0.160 nan 8.280 nan 0.000 0.505 201 S N 1.446 117.129 115.700 -0.028 0.000 2.413 201 S HA -0.318 4.152 4.470 -0.000 0.000 0.237 201 S C 1.628 176.137 174.600 -0.151 0.000 1.044 201 S CA 2.580 60.719 58.200 -0.101 0.000 1.024 201 S CB -1.505 61.669 63.200 -0.044 0.000 0.829 201 S HN 0.555 nan 8.310 nan 0.000 0.475 202 D N 1.055 121.387 120.400 -0.113 0.000 2.104 202 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 202 D C 1.621 177.883 176.300 -0.063 0.000 0.994 202 D CA 1.536 55.495 54.000 -0.069 0.000 0.830 202 D CB -1.167 39.619 40.800 -0.023 0.000 0.959 202 D HN 0.981 nan 8.370 nan 0.000 0.452 203 H N -0.961 118.114 119.070 0.009 0.000 2.536 203 H HA 0.418 4.973 4.556 -0.000 0.000 0.276 203 H C 0.040 175.400 175.328 0.054 0.000 1.019 203 H CA -0.293 55.770 56.048 0.024 0.000 1.159 203 H CB -0.386 29.435 29.762 0.099 0.000 1.373 203 H HN 0.360 nan 8.280 nan 0.000 0.584 204 I N 0.828 121.289 120.570 -0.182 0.000 2.441 204 I HA 0.295 4.464 4.170 -0.000 0.000 0.295 204 I C 0.904 176.984 176.117 -0.061 0.000 0.994 204 I CA -0.745 60.463 61.300 -0.153 0.000 1.144 204 I CB 2.061 39.913 38.000 -0.246 0.000 1.314 204 I HN 0.076 nan 8.210 nan 0.000 0.445 205 A N 5.447 128.266 122.820 -0.001 0.000 2.208 205 A HA 0.192 4.512 4.320 -0.000 0.000 0.209 205 A C 0.405 177.996 177.584 0.012 0.000 1.161 205 A CA 0.522 52.563 52.037 0.007 0.000 0.782 205 A CB -0.061 18.991 19.000 0.087 0.000 0.816 205 A HN 0.502 nan 8.150 nan 0.000 0.477 206 L N 0.550 121.779 121.223 0.010 0.000 2.295 206 L HA 0.506 4.846 4.340 -0.000 0.000 0.285 206 L C -2.702 174.160 176.870 -0.012 0.000 1.035 206 L CA -2.408 52.440 54.840 0.012 0.000 0.806 206 L CB 1.393 43.467 42.059 0.025 0.000 1.214 206 L HN -0.146 nan 8.230 nan 0.000 0.426 207 P HA 0.049 nan 4.420 nan 0.000 0.261 207 P C -1.060 176.231 177.300 -0.016 0.000 1.203 207 P CA 0.096 63.187 63.100 -0.014 0.000 0.767 207 P CB 0.366 32.059 31.700 -0.011 0.000 0.785 208 V N 5.067 124.975 119.914 -0.010 0.000 2.277 208 V HA 0.148 4.268 4.120 -0.000 0.000 0.269 208 V C 0.687 176.800 176.094 0.031 0.000 1.036 208 V CA -0.305 61.992 62.300 -0.005 0.000 0.821 208 V CB 0.098 31.912 31.823 -0.015 0.000 1.052 208 V HN 0.480 nan 8.190 nan 0.000 0.462 209 E N 3.972 124.202 120.200 0.049 0.000 2.322 209 E HA 0.713 5.063 4.350 -0.000 0.000 0.257 209 E C -0.631 176.123 176.600 0.257 0.000 1.155 209 E CA -0.693 55.797 56.400 0.149 0.000 0.936 209 E CB 2.726 32.525 29.700 0.164 0.000 1.130 209 E HN 0.500 nan 8.360 nan 0.000 0.465 210 I N -0.905 119.912 120.570 0.413 0.000 2.984 210 I HA 0.210 4.380 4.170 -0.000 0.000 0.303 210 I C -1.193 175.071 176.117 0.245 0.000 1.381 210 I CA -0.411 61.129 61.300 0.399 0.000 0.988 210 I CB 2.017 40.105 38.000 0.148 0.000 1.307 210 I HN 0.621 nan 8.210 nan 0.000 0.460 211 E N 4.409 124.599 120.200 -0.017 0.000 2.166 211 E HA 0.544 4.894 4.350 -0.000 0.000 0.279 211 E C -0.452 175.958 176.600 -0.316 0.000 1.095 211 E CA -0.116 55.900 56.400 -0.639 0.000 0.888 211 E CB 0.734 30.176 29.700 -0.430 0.000 1.041 211 E HN 0.672 nan 8.360 nan 0.000 0.414 212 K N 1.282 121.443 120.400 -0.398 0.000 2.367 212 K HA 0.767 5.086 4.320 -0.000 0.000 0.263 212 K C 0.336 176.811 176.600 -0.208 0.000 1.000 212 K CA -0.005 56.165 56.287 -0.195 0.000 0.891 212 K CB 0.753 33.182 32.500 -0.117 0.000 1.117 212 K HN 1.059 nan 8.250 nan 0.000 0.443 220 T N -2.220 112.322 114.554 -0.021 0.000 2.772 220 T HA 0.763 5.113 4.350 -0.000 0.000 0.288 220 T C -0.109 174.574 174.700 -0.029 0.000 0.994 220 T CA 0.066 62.148 62.100 -0.030 0.000 0.951 220 T CB 0.112 68.957 68.868 -0.038 0.000 0.933 220 T HN 2.064 nan 8.240 nan 0.000 0.447 221 V N 2.094 121.989 119.914 -0.032 0.000 2.443 221 V HA 0.890 5.010 4.120 -0.000 0.000 0.293 221 V C 0.093 176.155 176.094 -0.053 0.000 1.021 221 V CA -1.221 61.061 62.300 -0.030 0.000 0.848 221 V CB 0.983 32.796 31.823 -0.016 0.000 0.998 221 V HN 1.316 nan 8.190 nan 0.000 0.424 222 I N 2.387 122.910 120.570 -0.077 0.000 2.493 222 I HA 1.030 5.200 4.170 -0.000 0.000 0.298 222 I C 0.398 176.407 176.117 -0.181 0.000 0.998 222 I CA -0.179 61.026 61.300 -0.159 0.000 1.137 222 I CB 0.928 38.787 38.000 -0.235 0.000 1.310 222 I HN 1.461 nan 8.210 nan 0.000 0.445 223 S N 2.494 118.063 115.700 -0.219 0.000 2.759 223 S HA 0.901 5.371 4.470 -0.000 0.000 0.310 223 S C -0.951 173.441 174.600 -0.346 0.000 1.123 223 S CA -0.635 57.474 58.200 -0.152 0.000 0.959 223 S CB 0.827 64.016 63.200 -0.018 0.000 1.172 223 S HN 0.882 nan 8.310 nan 0.000 0.539 224 W N 0.333 121.648 121.300 0.025 0.000 2.532 224 W HA 0.588 5.248 4.660 -0.000 0.000 0.321 224 W C 0.145 176.675 176.519 0.019 0.000 1.037 224 W CA -0.155 57.205 57.345 0.026 0.000 1.220 224 W CB 1.017 30.492 29.460 0.024 0.000 1.361 224 W HN 0.875 nan 8.180 nan 0.000 0.468 225 E N 3.001 123.323 120.200 0.204 0.000 2.171 225 E HA 0.442 4.792 4.350 -0.000 0.000 0.271 225 E C -0.542 176.131 176.600 0.121 0.000 0.916 225 E CA -1.272 55.203 56.400 0.125 0.000 0.774 225 E CB 1.040 30.780 29.700 0.066 0.000 1.128 225 E HN 0.507 nan 8.360 nan 0.000 0.403 226 K N 1.563 122.016 120.400 0.087 0.000 2.276 226 K HA 0.471 4.791 4.320 -0.000 0.000 0.283 226 K C -0.040 176.582 176.600 0.037 0.000 1.044 226 K CA -0.483 55.840 56.287 0.060 0.000 0.944 226 K CB 1.036 33.559 32.500 0.038 0.000 1.012 226 K HN 0.519 nan 8.250 nan 0.000 0.472 227 I N 0.908 121.495 120.570 0.028 0.000 3.883 227 I HA 0.002 4.172 4.170 -0.000 0.000 0.326 227 I C 0.068 176.182 176.117 -0.003 0.000 1.283 227 I CA -0.240 61.068 61.300 0.013 0.000 1.161 227 I CB -0.410 37.597 38.000 0.012 0.000 1.012 227 I HN 0.661 nan 8.210 nan 0.000 0.421 228 N N 1.416 120.112 118.700 -0.007 0.000 2.342 228 N HA 0.275 5.015 4.740 -0.000 0.000 0.293 228 N C 0.839 176.332 175.510 -0.028 0.000 1.026 228 N CA 0.134 53.169 53.050 -0.025 0.000 0.857 228 N CB 1.652 40.119 38.487 -0.032 0.000 1.256 228 N HN -0.021 nan 8.380 nan 0.000 0.484 229 K N 2.894 123.271 120.400 -0.038 0.000 2.074 229 K HA 0.090 4.410 4.320 -0.000 0.000 0.209 229 K C 0.930 177.500 176.600 -0.051 0.000 1.048 229 K CA 1.597 57.858 56.287 -0.044 0.000 0.926 229 K CB -1.454 31.013 32.500 -0.055 0.000 0.713 229 K HN 1.577 nan 8.250 nan 0.000 0.444 230 A N -1.613 121.173 122.820 -0.058 0.000 2.165 230 A HA 0.367 4.687 4.320 -0.000 0.000 0.272 230 A C 0.215 177.750 177.584 -0.082 0.000 1.398 230 A CA 1.605 53.606 52.037 -0.059 0.000 0.726 230 A CB -2.373 16.604 19.000 -0.038 0.000 1.179 230 A HN 2.108 nan 8.150 nan 0.000 0.327 231 Q N -0.335 119.393 119.800 -0.121 0.000 2.268 231 Q HA 0.907 5.247 4.340 -0.000 0.000 0.266 231 Q C -0.042 175.780 176.000 -0.296 0.000 1.006 231 Q CA 0.387 56.077 55.803 -0.187 0.000 0.824 231 Q CB 0.719 29.352 28.738 -0.176 0.000 1.306 231 Q HN 2.627 nan 8.270 nan 0.000 0.424 232 A N 1.811 124.347 122.820 -0.473 0.000 2.558 232 A HA 0.301 4.621 4.320 -0.000 0.000 0.262 232 A C 1.291 178.356 177.584 -0.865 0.000 1.049 232 A CA 0.653 52.126 52.037 -0.940 0.000 0.804 232 A CB -0.381 17.481 19.000 -1.895 0.000 0.957 232 A HN 1.893 nan 8.150 nan 0.000 0.520 233 L N 3.240 124.141 121.223 -0.536 0.000 2.127 233 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 233 L C 2.033 178.686 176.870 -0.361 0.000 1.089 233 L CA 2.420 56.989 54.840 -0.452 0.000 0.757 233 L CB -0.288 41.413 42.059 -0.596 0.000 0.899 233 L HN 1.007 nan 8.230 nan 0.000 0.434 234 W N -1.917 119.154 121.300 -0.383 0.000 2.519 234 W HA 0.003 4.662 4.660 -0.001 0.000 0.266 234 W C 1.975 178.534 176.519 0.066 0.000 1.253 234 W CA 0.736 57.936 57.345 -0.241 0.000 1.274 234 W CB -1.102 28.186 29.460 -0.286 0.000 1.114 234 W HN -0.140 nan 8.180 nan 0.000 0.596 235 T N 1.222 115.377 114.554 -0.665 0.000 3.088 235 T HA 0.117 4.467 4.350 -0.000 0.000 0.259 235 T C 1.092 175.672 174.700 -0.199 0.000 1.122 235 T CA 0.153 62.012 62.100 -0.403 0.000 1.095 235 T CB -0.194 68.325 68.868 -0.581 0.000 0.930 235 T HN 0.023 nan 8.240 nan 0.000 0.508 236 R N 1.982 122.370 120.500 -0.186 0.000 2.649 236 R HA 0.290 4.630 4.340 -0.000 0.000 0.270 236 R C -0.007 176.243 176.300 -0.083 0.000 1.105 236 R CA -0.450 55.573 56.100 -0.127 0.000 1.193 236 R CB 0.258 30.469 30.300 -0.148 0.000 1.120 236 R HN 0.160 nan 8.270 nan 0.000 0.561 237 N N 0.293 118.934 118.700 -0.098 0.000 2.473 237 N HA 0.041 4.781 4.740 -0.000 0.000 0.291 237 N C 0.129 175.577 175.510 -0.104 0.000 1.083 237 N CA -0.141 52.838 53.050 -0.119 0.000 0.951 237 N CB 1.080 39.517 38.487 -0.085 0.000 1.164 237 N HN 0.335 nan 8.380 nan 0.000 0.480 238 K N 0.782 121.096 120.400 -0.144 0.000 2.360 238 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 238 K C 1.106 177.750 176.600 0.074 0.000 1.046 238 K CA 1.294 57.566 56.287 -0.025 0.000 0.940 238 K CB -0.013 32.456 32.500 -0.051 0.000 0.748 238 K HN 0.495 nan 8.250 nan 0.000 0.465 239 S N 1.451 117.161 115.700 0.017 0.000 2.406 239 S HA -0.063 4.406 4.470 -0.000 0.000 0.224 239 S C 1.453 176.071 174.600 0.030 0.000 1.030 239 S CA 0.893 59.112 58.200 0.031 0.000 0.958 239 S CB 0.008 63.210 63.200 0.004 0.000 0.811 239 S HN 0.342 nan 8.310 nan 0.000 0.489 240 E N 0.922 121.120 120.200 -0.003 0.000 2.442 240 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 240 E C -0.108 176.469 176.600 -0.038 0.000 1.030 240 E CA 0.154 56.542 56.400 -0.020 0.000 0.869 240 E CB -0.072 29.603 29.700 -0.042 0.000 0.857 240 E HN 0.487 nan 8.360 nan 0.000 0.505 241 I N 2.033 122.571 120.570 -0.053 0.000 2.294 241 I HA 0.028 4.198 4.170 -0.000 0.000 0.295 241 I C 0.609 176.690 176.117 -0.060 0.000 1.098 241 I CA -0.304 60.886 61.300 -0.183 0.000 1.277 241 I CB 0.690 38.416 38.000 -0.456 0.000 1.434 241 I HN -0.063 nan 8.210 nan 0.000 0.498 242 T N 3.356 117.894 114.554 -0.028 0.000 2.802 242 T HA -0.026 4.323 4.350 -0.000 0.000 0.305 242 T C 1.208 176.016 174.700 0.181 0.000 1.053 242 T CA -0.228 61.925 62.100 0.088 0.000 1.058 242 T CB 0.638 69.539 68.868 0.055 0.000 0.988 242 T HN 0.559 nan 8.240 nan 0.000 0.539 243 D N 1.768 122.341 120.400 0.287 0.000 2.149 243 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 243 D C 1.960 178.384 176.300 0.207 0.000 0.990 243 D CA 1.203 55.431 54.000 0.381 0.000 0.839 243 D CB -0.054 40.975 40.800 0.382 0.000 0.948 243 D HN 0.571 nan 8.370 nan 0.000 0.460 244 E N 1.112 121.395 120.200 0.138 0.000 2.013 244 E HA -0.191 4.159 4.350 -0.000 0.000 0.202 244 E C 2.028 178.657 176.600 0.048 0.000 1.018 244 E CA 1.053 57.506 56.400 0.088 0.000 0.834 244 E CB -0.431 29.306 29.700 0.062 0.000 0.770 244 E HN 0.390 nan 8.360 nan 0.000 0.459 245 E N -0.785 119.421 120.200 0.010 0.000 2.169 245 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 245 E C 2.116 178.661 176.600 -0.090 0.000 1.016 245 E CA 1.447 57.824 56.400 -0.038 0.000 0.817 245 E CB -0.304 29.315 29.700 -0.135 0.000 0.736 245 E HN 0.395 nan 8.360 nan 0.000 0.462 246 Y N 0.627 120.842 120.300 -0.142 0.000 2.163 246 Y HA -0.185 4.364 4.550 -0.000 0.000 0.288 246 Y C 2.348 178.147 175.900 -0.167 0.000 1.136 246 Y CA 1.062 58.961 58.100 -0.335 0.000 1.147 246 Y CB 0.122 37.980 38.460 -1.005 0.000 0.987 246 Y HN -0.080 nan 8.280 nan 0.000 0.509 247 K N -0.139 120.275 120.400 0.022 0.000 1.985 247 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 247 K C 1.921 178.576 176.600 0.093 0.000 1.047 247 K CA 1.768 58.124 56.287 0.115 0.000 0.932 247 K CB -0.248 32.343 32.500 0.152 0.000 0.716 247 K HN 0.066 nan 8.250 nan 0.000 0.439 248 E N 0.465 120.660 120.200 -0.008 0.000 2.204 248 E HA -0.159 4.190 4.350 -0.000 0.000 0.195 248 E C 1.544 177.874 176.600 -0.450 0.000 0.990 248 E CA 0.897 57.196 56.400 -0.168 0.000 0.821 248 E CB -0.170 29.424 29.700 -0.176 0.000 0.750 248 E HN 0.247 nan 8.360 nan 0.000 0.477 249 F N -0.550 119.098 119.950 -0.503 0.000 2.259 249 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 249 F C 1.995 177.632 175.800 -0.271 0.000 1.088 249 F CA 1.172 58.951 58.000 -0.369 0.000 1.358 249 F CB -0.365 38.552 39.000 -0.139 0.000 1.040 249 F HN 0.156 nan 8.300 nan 0.000 0.505 250 Y N 1.301 121.339 120.300 -0.436 0.000 2.145 250 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 250 Y C 2.272 177.927 175.900 -0.408 0.000 1.145 250 Y CA 2.116 59.767 58.100 -0.749 0.000 1.148 250 Y CB -0.765 37.221 38.460 -0.790 0.000 0.981 250 Y HN -0.014 nan 8.280 nan 0.000 0.507 251 K N -0.537 119.581 120.400 -0.470 0.000 2.015 251 K HA -0.305 4.014 4.320 -0.000 0.000 0.216 251 K C 2.386 178.740 176.600 -0.409 0.000 1.052 251 K CA 1.951 57.992 56.287 -0.410 0.000 0.937 251 K CB -0.689 31.750 32.500 -0.102 0.000 0.719 251 K HN 0.502 nan 8.250 nan 0.000 0.446 252 H N 0.814 119.627 119.070 -0.427 0.000 2.456 252 H HA -0.097 4.458 4.556 -0.000 0.000 0.296 252 H C 1.667 176.710 175.328 -0.475 0.000 1.079 252 H CA 1.832 57.678 56.048 -0.336 0.000 1.322 252 H CB 0.179 29.825 29.762 -0.193 0.000 1.388 252 H HN 0.263 nan 8.280 nan 0.000 0.538 253 I N -1.225 119.047 120.570 -0.496 0.000 3.228 253 I HA 0.266 4.436 4.170 -0.000 0.000 0.279 253 I C 2.089 177.786 176.117 -0.701 0.000 1.221 253 I CA 0.993 61.981 61.300 -0.520 0.000 1.458 253 I CB -0.128 37.593 38.000 -0.466 0.000 1.105 253 I HN 0.170 nan 8.210 nan 0.000 0.445 254 A N -0.609 121.759 122.820 -0.753 0.000 2.503 254 A HA 0.299 4.619 4.320 -0.000 0.000 0.263 254 A C 0.499 177.779 177.584 -0.506 0.000 1.258 254 A CA -0.264 51.391 52.037 -0.637 0.000 0.936 254 A CB -1.224 17.383 19.000 -0.655 0.000 1.070 254 A HN 0.617 nan 8.150 nan 0.000 0.522 255 H N -0.202 118.682 119.070 -0.311 0.000 2.636 255 H HA -0.208 4.348 4.556 -0.000 0.000 0.312 255 H C -0.247 174.983 175.328 -0.164 0.000 1.106 255 H CA 0.933 56.841 56.048 -0.234 0.000 1.139 255 H CB -0.953 28.709 29.762 -0.167 0.000 1.423 255 H HN 0.608 nan 8.280 nan 0.000 0.407 256 D N -0.070 120.247 120.400 -0.138 0.000 2.575 256 D HA 0.305 4.945 4.640 -0.000 0.000 0.236 256 D C -0.146 176.251 176.300 0.162 0.000 1.075 256 D CA -1.252 52.779 54.000 0.052 0.000 0.860 256 D CB 0.834 41.659 40.800 0.042 0.000 1.475 256 D HN 0.060 nan 8.370 nan 0.000 0.474 257 F N 0.443 120.364 119.950 -0.048 0.000 2.835 257 F HA 0.516 5.043 4.527 -0.000 0.000 0.342 257 F C -0.464 175.395 175.800 0.099 0.000 1.202 257 F CA -1.329 56.679 58.000 0.012 0.000 1.240 257 F CB -1.079 37.908 39.000 -0.020 0.000 1.005 257 F HN -0.036 nan 8.300 nan 0.000 0.507 258 N N 2.238 121.004 118.700 0.110 0.000 2.529 258 N HA 0.048 4.788 4.740 -0.000 0.000 0.278 258 N C -0.276 175.405 175.510 0.286 0.000 1.146 258 N CA -0.069 53.066 53.050 0.142 0.000 0.980 258 N CB 1.019 39.621 38.487 0.192 0.000 1.124 258 N HN 0.313 nan 8.380 nan 0.000 0.458 259 D N 2.067 122.596 120.400 0.215 0.000 2.443 259 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 259 D C -1.796 174.609 176.300 0.174 0.000 1.136 259 D CA -0.423 53.719 54.000 0.237 0.000 0.879 259 D CB 0.880 41.790 40.800 0.183 0.000 1.195 259 D HN 0.285 nan 8.370 nan 0.000 0.443 260 P HA 0.056 nan 4.420 nan 0.000 0.273 260 P C 0.763 178.111 177.300 0.080 0.000 1.250 260 P CA -0.345 62.607 63.100 -0.246 0.000 0.793 260 P CB 1.310 32.734 31.700 -0.459 0.000 1.011 261 L N -1.216 120.064 121.223 0.095 0.000 2.145 261 L HA 0.123 4.463 4.340 -0.000 0.000 0.201 261 L C 1.354 178.291 176.870 0.111 0.000 1.075 261 L CA 1.407 56.327 54.840 0.133 0.000 0.773 261 L CB 0.002 42.154 42.059 0.155 0.000 0.936 261 L HN 0.563 nan 8.230 nan 0.000 0.451 262 T N -2.419 112.205 114.554 0.116 0.000 2.800 262 T HA 0.289 4.639 4.350 -0.000 0.000 0.327 262 T C -2.242 172.436 174.700 -0.037 0.000 1.838 262 T CA -0.729 61.314 62.100 -0.096 0.000 1.024 262 T CB 0.588 69.262 68.868 -0.323 0.000 1.755 262 T HN 0.252 nan 8.240 nan 0.000 0.507 263 W N 0.762 121.886 121.300 -0.293 0.000 3.274 263 W HA 0.857 5.517 4.660 -0.000 0.000 0.353 263 W C -0.737 175.566 176.519 -0.359 0.000 1.147 263 W CA -0.551 56.514 57.345 -0.467 0.000 1.054 263 W CB 0.812 29.683 29.460 -0.982 0.000 1.510 263 W HN 0.903 nan 8.180 nan 0.000 0.602 264 S N -0.283 115.382 115.700 -0.058 0.000 2.511 264 S HA 0.246 4.715 4.470 -0.000 0.000 0.233 264 S C -1.999 172.662 174.600 0.102 0.000 1.104 264 S CA -0.546 57.632 58.200 -0.036 0.000 1.129 264 S CB -0.165 63.005 63.200 -0.051 0.000 1.159 264 S HN 0.730 nan 8.310 nan 0.000 0.451 265 H N 4.079 123.184 119.070 0.059 0.000 2.724 265 H HA 0.511 5.066 4.556 -0.000 0.000 0.278 265 H C -0.561 174.818 175.328 0.086 0.000 1.159 265 H CA -0.497 55.626 56.048 0.125 0.000 1.254 265 H CB 0.179 30.090 29.762 0.248 0.000 1.412 265 H HN 0.708 nan 8.280 nan 0.000 0.488 266 N N 3.950 122.830 118.700 0.301 0.000 2.296 266 N HA 0.272 5.012 4.740 -0.000 0.000 0.294 266 N C -1.054 174.528 175.510 0.121 0.000 1.033 266 N CA -0.903 52.229 53.050 0.136 0.000 0.839 266 N CB 2.403 40.938 38.487 0.080 0.000 1.395 266 N HN 0.457 nan 8.380 nan 0.000 0.479 267 R N 1.363 121.877 120.500 0.022 0.000 2.643 267 R HA 0.740 5.080 4.340 -0.000 0.000 0.272 267 R C -1.386 174.815 176.300 -0.164 0.000 0.995 267 R CA -0.641 55.438 56.100 -0.035 0.000 1.032 267 R CB 1.110 31.395 30.300 -0.025 0.000 1.126 267 R HN 0.331 nan 8.270 nan 0.000 0.505 268 V N 2.458 122.202 119.914 -0.283 0.000 2.777 268 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 268 V C -1.009 174.934 176.094 -0.252 0.000 1.112 268 V CA -0.835 61.248 62.300 -0.361 0.000 0.917 268 V CB 2.010 33.382 31.823 -0.752 0.000 1.018 268 V HN 0.856 nan 8.190 nan 0.000 0.426 269 E N 2.010 122.118 120.200 -0.155 0.000 2.281 269 E HA 0.870 5.220 4.350 -0.000 0.000 0.262 269 E C 0.374 176.933 176.600 -0.067 0.000 0.933 269 E CA -0.196 56.151 56.400 -0.089 0.000 0.809 269 E CB 2.813 32.478 29.700 -0.059 0.000 1.242 269 E HN 1.024 nan 8.360 nan 0.000 0.418 270 G N 1.149 109.928 108.800 -0.035 0.000 2.436 270 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.205 270 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.205 270 G C 0.407 175.306 174.900 -0.001 0.000 1.188 270 G CA 0.015 45.105 45.100 -0.018 0.000 1.267 270 G HN 0.429 nan 8.290 nan 0.000 0.536 271 K N 0.748 121.152 120.400 0.007 0.000 1.968 271 K HA 0.069 4.389 4.320 -0.000 0.000 0.215 271 K C 1.072 177.694 176.600 0.038 0.000 1.040 271 K CA 1.330 57.630 56.287 0.022 0.000 0.959 271 K CB -0.377 32.139 32.500 0.025 0.000 0.740 271 K HN 0.527 nan 8.250 nan 0.000 0.443 272 Q N 2.133 121.966 119.800 0.055 0.000 2.320 272 Q HA -0.034 4.306 4.340 -0.000 0.000 0.262 272 Q C -0.834 175.177 176.000 0.018 0.000 1.225 272 Q CA 0.296 56.166 55.803 0.111 0.000 0.916 272 Q CB 0.230 29.090 28.738 0.203 0.000 1.417 272 Q HN 0.142 nan 8.270 nan 0.000 0.462 273 E N 3.741 123.965 120.200 0.039 0.000 1.993 273 E HA 0.184 4.534 4.350 -0.000 0.000 0.271 273 E C -1.560 175.089 176.600 0.082 0.000 1.008 273 E CA -0.571 55.824 56.400 -0.008 0.000 0.814 273 E CB 0.239 29.948 29.700 0.016 0.000 1.098 273 E HN 0.437 nan 8.360 nan 0.000 0.407 274 Y N 0.659 120.967 120.300 0.013 0.000 2.492 274 Y HA 0.596 5.146 4.550 -0.000 0.000 0.346 274 Y C -0.508 175.421 175.900 0.049 0.000 0.997 274 Y CA -1.311 56.801 58.100 0.020 0.000 1.025 274 Y CB 0.984 39.424 38.460 -0.034 0.000 1.263 274 Y HN 0.059 nan 8.280 nan 0.000 0.454 275 T N 2.839 117.542 114.554 0.249 0.000 2.899 275 T HA 0.586 4.935 4.350 -0.000 0.000 0.284 275 T C -0.357 174.539 174.700 0.326 0.000 1.004 275 T CA -0.307 61.953 62.100 0.266 0.000 1.043 275 T CB 0.931 70.017 68.868 0.362 0.000 1.013 275 T HN 0.875 nan 8.240 nan 0.000 0.518 276 S N 1.644 117.514 115.700 0.283 0.000 2.543 276 S HA 0.595 5.064 4.470 -0.000 0.000 0.271 276 S C -1.792 172.892 174.600 0.139 0.000 1.148 276 S CA -0.992 57.319 58.200 0.186 0.000 0.914 276 S CB 1.440 64.780 63.200 0.233 0.000 1.096 276 S HN 0.561 nan 8.310 nan 0.000 0.471 277 L N 4.175 125.427 121.223 0.048 0.000 2.406 277 L HA 0.679 5.019 4.340 -0.000 0.000 0.270 277 L C -1.775 175.145 176.870 0.084 0.000 0.982 277 L CA -0.626 54.219 54.840 0.009 0.000 0.843 277 L CB 1.042 43.041 42.059 -0.102 0.000 1.225 277 L HN 0.868 nan 8.230 nan 0.000 0.412 278 L N 4.965 126.208 121.223 0.034 0.000 2.334 278 L HA 0.578 4.918 4.340 -0.000 0.000 0.273 278 L C -0.912 175.963 176.870 0.009 0.000 1.013 278 L CA -0.759 54.130 54.840 0.083 0.000 0.816 278 L CB 1.620 43.696 42.059 0.028 0.000 1.278 278 L HN 0.482 nan 8.230 nan 0.000 0.431 279 Y N 1.631 122.004 120.300 0.122 0.000 2.650 279 Y HA 0.647 5.197 4.550 -0.000 0.000 0.331 279 Y C -0.101 175.812 175.900 0.021 0.000 1.082 279 Y CA -0.800 57.370 58.100 0.117 0.000 1.171 279 Y CB 1.867 40.392 38.460 0.108 0.000 1.326 279 Y HN 0.281 nan 8.280 nan 0.000 0.513 280 I N 2.728 123.396 120.570 0.164 0.000 2.500 280 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 280 I C -2.719 173.444 176.117 0.077 0.000 1.063 280 I CA -2.237 59.119 61.300 0.094 0.000 1.062 280 I CB 2.216 40.272 38.000 0.092 0.000 1.223 280 I HN 0.245 nan 8.210 nan 0.000 0.435 281 P HA 0.019 nan 4.420 nan 0.000 0.268 281 P C 0.626 178.135 177.300 0.348 0.000 1.208 281 P CA -0.022 63.204 63.100 0.211 0.000 0.777 281 P CB 0.713 32.689 31.700 0.461 0.000 0.875 282 S N 0.620 116.467 115.700 0.244 0.000 2.501 282 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 282 S C 0.505 175.198 174.600 0.155 0.000 0.997 282 S CA 0.403 58.731 58.200 0.213 0.000 0.919 282 S CB -0.219 63.069 63.200 0.146 0.000 0.778 282 S HN 0.584 nan 8.310 nan 0.000 0.523 283 Q N -0.122 119.778 119.800 0.168 0.000 2.309 283 Q HA 0.656 4.995 4.340 -0.000 0.000 0.273 283 Q C -1.698 174.305 176.000 0.005 0.000 1.040 283 Q CA -0.658 55.143 55.803 -0.003 0.000 0.834 283 Q CB 2.187 30.927 28.738 0.005 0.000 1.345 283 Q HN 0.409 nan 8.270 nan 0.000 0.414 284 A N 4.207 126.865 122.820 -0.270 0.000 2.331 284 A HA 0.683 5.002 4.320 -0.000 0.000 0.283 284 A C -2.223 175.306 177.584 -0.093 0.000 1.142 284 A CA -1.037 50.849 52.037 -0.252 0.000 0.812 284 A CB 0.077 18.675 19.000 -0.670 0.000 1.074 284 A HN 0.559 nan 8.150 nan 0.000 0.497 285 P HA 0.008 nan 4.420 nan 0.000 0.273 285 P C 0.503 177.850 177.300 0.079 0.000 1.250 285 P CA -0.455 62.701 63.100 0.093 0.000 0.793 285 P CB 0.493 32.273 31.700 0.132 0.000 1.011 286 W N 1.333 122.620 121.300 -0.022 0.000 2.304 286 W HA -0.195 4.464 4.660 -0.000 0.000 0.328 286 W C 1.381 177.878 176.519 -0.036 0.000 1.242 286 W CA 1.932 59.262 57.345 -0.025 0.000 1.243 286 W CB -0.279 29.174 29.460 -0.011 0.000 1.170 286 W HN 0.379 nan 8.180 nan 0.000 0.460 287 D N 0.369 121.061 120.400 0.488 0.000 2.663 287 D HA -0.082 4.557 4.640 -0.000 0.000 0.243 287 D C 1.412 177.776 176.300 0.107 0.000 1.218 287 D CA 0.384 54.590 54.000 0.343 0.000 0.846 287 D CB -0.581 40.292 40.800 0.122 0.000 1.014 287 D HN 0.379 nan 8.370 nan 0.000 0.476 288 M N -0.955 118.619 119.600 -0.045 0.000 2.288 288 M HA 0.018 4.498 4.480 -0.000 0.000 0.266 288 M C 0.405 176.418 176.300 -0.478 0.000 1.072 288 M CA 1.173 56.253 55.300 -0.365 0.000 1.132 288 M CB 0.210 32.426 32.600 -0.639 0.000 1.386 288 M HN 0.079 nan 8.290 nan 0.000 0.432 289 W N 1.569 122.894 121.300 0.043 0.000 2.616 289 W HA 0.306 4.965 4.660 -0.000 0.000 0.419 289 W C -0.491 176.083 176.519 0.091 0.000 0.835 289 W CA -1.250 56.104 57.345 0.015 0.000 2.483 289 W CB 0.125 29.543 29.460 -0.069 0.000 1.289 289 W HN 0.064 nan 8.180 nan 0.000 0.755 290 N N 0.194 119.076 118.700 0.304 0.000 2.483 290 N HA 0.305 5.045 4.740 -0.000 0.000 0.285 290 N C 0.578 176.193 175.510 0.175 0.000 1.210 290 N CA -0.687 52.511 53.050 0.248 0.000 0.931 290 N CB 1.117 39.737 38.487 0.222 0.000 1.220 290 N HN -0.018 nan 8.380 nan 0.000 0.542 291 R N -0.138 120.447 120.500 0.141 0.000 2.356 291 R HA 0.143 4.483 4.340 -0.000 0.000 0.234 291 R C -0.762 175.610 176.300 0.120 0.000 0.929 291 R CA 0.079 56.250 56.100 0.118 0.000 1.084 291 R CB 0.146 30.501 30.300 0.092 0.000 1.105 291 R HN 0.457 nan 8.270 nan 0.000 0.515 292 D N 0.653 121.123 120.400 0.117 0.000 2.233 292 D HA 0.033 4.673 4.640 -0.000 0.000 0.240 292 D C -0.348 176.024 176.300 0.122 0.000 1.074 292 D CA -0.404 53.665 54.000 0.115 0.000 0.838 292 D CB 0.907 41.733 40.800 0.044 0.000 1.124 292 D HN 0.367 nan 8.370 nan 0.000 0.475 293 H N 1.401 120.529 119.070 0.097 0.000 2.503 293 H HA 0.202 4.758 4.556 -0.000 0.000 0.375 293 H C 0.511 175.923 175.328 0.140 0.000 1.801 293 H CA -0.109 56.050 56.048 0.184 0.000 1.450 293 H CB 1.155 30.995 29.762 0.130 0.000 1.601 293 H HN 0.123 nan 8.280 nan 0.000 0.581 294 K N -1.118 119.323 120.400 0.068 0.000 2.598 294 K HA 0.021 4.340 4.320 -0.000 0.000 0.214 294 K C -0.094 176.687 176.600 0.301 0.000 1.575 294 K CA 0.558 56.789 56.287 -0.094 0.000 1.042 294 K CB -0.264 32.220 32.500 -0.025 0.000 1.338 294 K HN 0.996 nan 8.250 nan 0.000 0.590 295 H N -1.088 118.089 119.070 0.178 0.000 2.767 295 H HA 0.492 5.048 4.556 -0.000 0.000 0.380 295 H C 0.647 176.007 175.328 0.054 0.000 1.409 295 H CA 0.198 56.297 56.048 0.086 0.000 1.463 295 H CB 0.449 30.235 29.762 0.040 0.000 1.514 295 H HN 0.190 nan 8.280 nan 0.000 0.619 296 G N -1.003 107.795 108.800 -0.003 0.000 2.362 296 G HA2 0.135 4.095 3.960 -0.000 0.000 0.656 296 G HA3 0.135 4.095 3.960 -0.000 0.000 0.656 296 G C -1.553 173.310 174.900 -0.061 0.000 1.376 296 G CA -0.600 44.423 45.100 -0.127 0.000 0.971 296 G HN 0.648 nan 8.290 nan 0.000 0.636 297 L N -0.289 120.880 121.223 -0.091 0.000 2.313 297 L HA 0.619 4.959 4.340 -0.000 0.000 0.268 297 L C 0.479 177.316 176.870 -0.054 0.000 1.010 297 L CA -1.155 53.673 54.840 -0.019 0.000 0.814 297 L CB 1.950 44.049 42.059 0.068 0.000 1.304 297 L HN 0.499 nan 8.230 nan 0.000 0.441 298 K N 2.282 122.678 120.400 -0.007 0.000 2.284 298 K HA 0.338 4.658 4.320 -0.000 0.000 0.287 298 K C -0.895 175.679 176.600 -0.043 0.000 1.081 298 K CA -0.511 55.753 56.287 -0.038 0.000 0.910 298 K CB 1.048 33.627 32.500 0.133 0.000 1.088 298 K HN 0.216 nan 8.250 nan 0.000 0.478 299 L N 4.673 125.760 121.223 -0.228 0.000 2.255 299 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 299 L C -1.335 175.377 176.870 -0.263 0.000 1.046 299 L CA -0.128 54.648 54.840 -0.107 0.000 0.816 299 L CB -0.090 41.936 42.059 -0.054 0.000 1.197 299 L HN 0.418 nan 8.230 nan 0.000 0.427 300 Y N 3.429 123.617 120.300 -0.186 0.000 2.376 300 Y HA 0.645 5.195 4.550 -0.000 0.000 0.325 300 Y C -0.057 175.839 175.900 -0.007 0.000 1.199 300 Y CA -0.768 57.281 58.100 -0.084 0.000 1.206 300 Y CB 2.017 40.485 38.460 0.014 0.000 1.229 300 Y HN 0.266 nan 8.280 nan 0.000 0.480 301 V N 2.722 122.738 119.914 0.170 0.000 2.398 301 V HA 0.183 4.302 4.120 -0.000 0.000 0.282 301 V C -0.882 175.328 176.094 0.193 0.000 1.014 301 V CA -0.964 61.424 62.300 0.147 0.000 0.838 301 V CB 0.978 32.848 31.823 0.078 0.000 1.018 301 V HN 0.904 nan 8.190 nan 0.000 0.432 302 Q N 5.121 125.048 119.800 0.211 0.000 2.464 302 Q HA -0.180 4.159 4.340 -0.000 0.000 0.304 302 Q C 0.734 176.896 176.000 0.271 0.000 1.401 302 Q CA 0.437 56.363 55.803 0.205 0.000 0.806 302 Q CB -0.777 28.053 28.738 0.152 0.000 1.134 302 Q HN 0.818 nan 8.270 nan 0.000 0.411 303 R N -3.883 116.852 120.500 0.391 0.000 3.989 303 R HA -0.199 4.141 4.340 -0.000 0.000 0.377 303 R C -0.692 175.989 176.300 0.636 0.000 1.158 303 R CA 1.177 57.575 56.100 0.497 0.000 1.035 303 R CB -2.154 28.298 30.300 0.253 0.000 1.557 303 R HN 0.268 nan 8.270 nan 0.000 0.551 304 V N 2.279 122.526 119.914 0.554 0.000 2.378 304 V HA 0.284 4.404 4.120 -0.000 0.000 0.288 304 V C 0.416 176.600 176.094 0.150 0.000 1.016 304 V CA -0.893 61.656 62.300 0.415 0.000 0.840 304 V CB 1.225 33.214 31.823 0.276 0.000 0.994 304 V HN 0.190 nan 8.190 nan 0.000 0.431 305 F N 5.883 125.639 119.950 -0.323 0.000 2.647 305 F HA -0.025 4.502 4.527 -0.000 0.000 0.363 305 F C 0.995 176.480 175.800 -0.524 0.000 1.130 305 F CA 0.984 58.434 58.000 -0.917 0.000 1.351 305 F CB 0.529 39.195 39.000 -0.557 0.000 1.026 305 F HN 0.359 nan 8.300 nan 0.000 0.607 306 I N 4.089 123.883 120.570 -1.293 0.000 4.866 306 I HA 0.147 4.317 4.170 -0.000 0.000 0.325 306 I C -0.410 174.869 176.117 -1.397 0.000 1.240 306 I CA 0.568 61.195 61.300 -1.121 0.000 1.355 306 I CB -0.242 37.404 38.000 -0.589 0.000 1.395 306 I HN 0.692 nan 8.210 nan 0.000 0.479 307 M N -0.953 117.735 119.600 -1.519 0.000 2.484 307 M HA 0.442 4.921 4.480 -0.000 0.000 0.292 307 M C -1.857 173.969 176.300 -0.790 0.000 1.123 307 M CA -0.598 54.132 55.300 -0.950 0.000 0.910 307 M CB 2.492 34.776 32.600 -0.526 0.000 1.782 307 M HN -0.278 nan 8.290 nan 0.000 0.512 308 D N 1.295 121.619 120.400 -0.126 0.000 2.312 308 D HA 0.255 4.895 4.640 -0.000 0.000 0.248 308 D C -0.440 175.824 176.300 -0.059 0.000 1.086 308 D CA 0.880 54.912 54.000 0.054 0.000 0.948 308 D CB 0.943 41.924 40.800 0.302 0.000 1.162 308 D HN 0.785 nan 8.370 nan 0.000 0.446 309 D N 0.331 120.700 120.400 -0.052 0.000 2.697 309 D HA -0.174 4.466 4.640 -0.000 0.000 0.238 309 D C -0.672 175.501 176.300 -0.212 0.000 1.152 309 D CA 0.585 54.536 54.000 -0.082 0.000 0.666 309 D CB -1.329 39.484 40.800 0.021 0.000 1.037 309 D HN 0.390 nan 8.370 nan 0.000 0.423 310 A N 1.057 123.711 122.820 -0.278 0.000 2.289 310 A HA 0.420 4.740 4.320 -0.000 0.000 0.298 310 A C 1.187 178.499 177.584 -0.454 0.000 1.208 310 A CA -0.487 51.307 52.037 -0.405 0.000 0.845 310 A CB 0.541 19.239 19.000 -0.504 0.000 1.125 310 A HN 0.256 nan 8.150 nan 0.000 0.517 311 E N 2.161 122.098 120.200 -0.438 0.000 2.585 311 E HA 0.095 4.445 4.350 -0.000 0.000 0.206 311 E C 0.069 176.503 176.600 -0.276 0.000 1.007 311 E CA -0.154 56.040 56.400 -0.344 0.000 1.028 311 E CB 0.193 29.623 29.700 -0.449 0.000 1.087 311 E HN 0.675 nan 8.360 nan 0.000 0.455 312 Q N -0.070 119.462 119.800 -0.446 0.000 2.137 312 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 312 Q C 0.605 176.578 176.000 -0.045 0.000 0.960 312 Q CA 1.100 56.735 55.803 -0.281 0.000 0.847 312 Q CB -0.042 28.483 28.738 -0.354 0.000 0.915 312 Q HN 0.337 nan 8.270 nan 0.000 0.448 313 F N -0.904 118.995 119.950 -0.084 0.000 2.731 313 F HA 0.246 4.773 4.527 -0.000 0.000 0.304 313 F C 0.150 175.898 175.800 -0.087 0.000 1.133 313 F CA -0.021 57.923 58.000 -0.095 0.000 1.380 313 F CB -0.129 38.797 39.000 -0.123 0.000 1.079 313 F HN 0.018 nan 8.300 nan 0.000 0.550 314 M N 1.182 120.817 119.600 0.058 0.000 2.457 314 M HA 0.395 4.875 4.480 -0.000 0.000 0.300 314 M C -2.611 173.686 176.300 -0.004 0.000 1.141 314 M CA -3.159 52.132 55.300 -0.015 0.000 0.901 314 M CB 2.179 34.741 32.600 -0.063 0.000 1.687 314 M HN -0.292 nan 8.290 nan 0.000 0.449 315 P HA 0.204 nan 4.420 nan 0.000 0.271 315 P C -0.057 177.245 177.300 0.003 0.000 1.218 315 P CA 0.020 63.145 63.100 0.041 0.000 0.780 315 P CB 0.586 32.366 31.700 0.134 0.000 0.901 316 N N 0.710 119.477 118.700 0.113 0.000 2.519 316 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 316 N C 1.256 176.842 175.510 0.127 0.000 1.062 316 N CA 0.818 53.921 53.050 0.088 0.000 0.910 316 N CB -0.893 37.661 38.487 0.113 0.000 0.958 316 N HN 0.609 nan 8.380 nan 0.000 0.445 317 Y N -1.802 118.552 120.300 0.090 0.000 2.490 317 Y HA 0.403 4.953 4.550 -0.000 0.000 0.281 317 Y C 0.745 176.773 175.900 0.214 0.000 1.174 317 Y CA 0.138 58.329 58.100 0.152 0.000 1.295 317 Y CB -0.017 38.530 38.460 0.144 0.000 1.062 317 Y HN -0.058 nan 8.280 nan 0.000 0.522 318 L N 1.159 122.139 121.223 -0.405 0.000 3.184 318 L HA 0.255 4.595 4.340 -0.000 0.000 0.283 318 L C 1.912 178.407 176.870 -0.624 0.000 1.218 318 L CA -0.163 54.273 54.840 -0.674 0.000 1.028 318 L CB 0.134 41.697 42.059 -0.828 0.000 1.400 318 L HN 0.195 nan 8.230 nan 0.000 0.591 319 R N 0.634 121.006 120.500 -0.214 0.000 2.185 319 R HA -0.222 4.117 4.340 -0.000 0.000 0.247 319 R C 1.823 178.067 176.300 -0.093 0.000 1.159 319 R CA 2.093 58.112 56.100 -0.134 0.000 0.988 319 R CB -1.100 29.029 30.300 -0.285 0.000 0.871 319 R HN 0.408 nan 8.270 nan 0.000 0.458 320 F N 0.624 120.500 119.950 -0.123 0.000 2.641 320 F HA 0.199 4.725 4.527 -0.000 0.000 0.298 320 F C 0.525 176.238 175.800 -0.146 0.000 1.146 320 F CA -0.764 57.154 58.000 -0.137 0.000 1.464 320 F CB -0.634 38.169 39.000 -0.328 0.000 1.101 320 F HN -0.259 nan 8.300 nan 0.000 0.585 321 V N 3.154 122.702 119.914 -0.609 0.000 2.673 321 V HA 0.129 4.249 4.120 -0.000 0.000 0.303 321 V C 0.352 176.402 176.094 -0.073 0.000 1.046 321 V CA 0.002 62.088 62.300 -0.356 0.000 1.126 321 V CB 0.339 31.935 31.823 -0.379 0.000 0.934 321 V HN 0.275 nan 8.190 nan 0.000 0.487 322 R N 2.273 122.805 120.500 0.053 0.000 2.744 322 R HA 0.806 5.146 4.340 -0.000 0.000 0.279 322 R C -0.016 176.418 176.300 0.224 0.000 0.977 322 R CA 0.110 56.290 56.100 0.134 0.000 0.906 322 R CB 2.105 32.523 30.300 0.197 0.000 1.197 322 R HN 1.011 nan 8.270 nan 0.000 0.463 323 G N 1.210 110.115 108.800 0.176 0.000 2.359 323 G HA2 0.204 4.164 3.960 -0.000 0.000 0.293 323 G HA3 0.204 4.164 3.960 -0.000 0.000 0.293 323 G C -1.737 173.239 174.900 0.127 0.000 1.300 323 G CA -0.576 44.673 45.100 0.247 0.000 0.888 323 G HN 0.545 nan 8.290 nan 0.000 0.541 324 L N -1.524 119.758 121.223 0.098 0.000 2.256 324 L HA 0.997 5.337 4.340 -0.000 0.000 0.261 324 L C -0.637 176.188 176.870 -0.074 0.000 1.022 324 L CA -1.283 53.546 54.840 -0.019 0.000 0.828 324 L CB 2.445 44.405 42.059 -0.165 0.000 1.374 324 L HN 1.038 nan 8.230 nan 0.000 0.436 325 I N 1.724 122.234 120.570 -0.100 0.000 2.667 325 I HA 0.348 4.517 4.170 -0.000 0.000 0.288 325 I C -2.210 173.875 176.117 -0.054 0.000 1.267 325 I CA 0.025 61.276 61.300 -0.081 0.000 1.055 325 I CB 2.081 40.018 38.000 -0.105 0.000 1.294 325 I HN 0.837 nan 8.210 nan 0.000 0.429 326 D N 5.926 126.327 120.400 0.002 0.000 2.472 326 D HA 0.295 4.935 4.640 -0.000 0.000 0.234 326 D C -0.684 175.730 176.300 0.190 0.000 1.088 326 D CA 0.289 54.372 54.000 0.139 0.000 0.882 326 D CB 1.214 42.195 40.800 0.301 0.000 1.037 326 D HN 0.472 nan 8.370 nan 0.000 0.520 327 S N 1.591 117.368 115.700 0.127 0.000 2.586 327 S HA 0.324 4.794 4.470 -0.000 0.000 0.274 327 S C 0.822 175.501 174.600 0.132 0.000 1.281 327 S CA -0.448 57.825 58.200 0.122 0.000 1.035 327 S CB 0.949 64.153 63.200 0.007 0.000 0.962 327 S HN 0.326 nan 8.310 nan 0.000 0.512 328 S N 2.470 118.247 115.700 0.128 0.000 2.593 328 S HA 0.171 4.641 4.470 -0.000 0.000 0.236 328 S C 0.247 174.896 174.600 0.081 0.000 0.991 328 S CA -0.501 57.763 58.200 0.106 0.000 0.963 328 S CB 0.092 63.350 63.200 0.098 0.000 0.865 328 S HN 0.761 nan 8.310 nan 0.000 0.488 329 D N 0.546 120.990 120.400 0.074 0.000 2.514 329 D HA 0.152 4.792 4.640 -0.000 0.000 0.249 329 D C 0.344 176.671 176.300 0.045 0.000 1.036 329 D CA -0.050 53.984 54.000 0.057 0.000 0.911 329 D CB -0.033 40.802 40.800 0.058 0.000 1.145 329 D HN 0.199 nan 8.370 nan 0.000 0.495 330 L N 2.331 123.577 121.223 0.038 0.000 2.482 330 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 330 L C -1.957 174.938 176.870 0.041 0.000 1.228 330 L CA -0.801 54.059 54.840 0.033 0.000 0.827 330 L CB -0.634 41.441 42.059 0.027 0.000 1.099 330 L HN -0.178 nan 8.230 nan 0.000 0.494 331 P HA -0.030 nan 4.420 nan 0.000 0.268 331 P C 0.335 177.665 177.300 0.049 0.000 1.208 331 P CA -0.330 62.795 63.100 0.042 0.000 0.777 331 P CB 0.465 32.187 31.700 0.036 0.000 0.875 332 L N 1.909 123.166 121.223 0.057 0.000 2.492 332 L HA 0.041 4.381 4.340 -0.000 0.000 0.223 332 L C 0.810 177.727 176.870 0.079 0.000 1.132 332 L CA 1.138 56.021 54.840 0.072 0.000 0.850 332 L CB -0.793 41.311 42.059 0.076 0.000 0.966 332 L HN 0.386 nan 8.230 nan 0.000 0.454 333 N N -0.583 118.156 118.700 0.064 0.000 2.806 333 N HA 0.049 4.789 4.740 -0.000 0.000 0.315 333 N C -0.565 174.977 175.510 0.053 0.000 1.738 333 N CA -0.193 52.898 53.050 0.067 0.000 0.993 333 N CB 0.440 38.959 38.487 0.052 0.000 1.324 333 N HN 0.001 nan 8.380 nan 0.000 0.493 334 V N 1.182 121.123 119.914 0.045 0.000 2.607 334 V HA 0.514 4.634 4.120 -0.000 0.000 0.289 334 V C 0.261 176.359 176.094 0.007 0.000 1.053 334 V CA -0.151 62.161 62.300 0.020 0.000 0.996 334 V CB 1.229 33.057 31.823 0.008 0.000 0.995 334 V HN 0.659 nan 8.190 nan 0.000 0.476 335 S N 5.937 121.635 115.700 -0.004 0.000 2.715 335 S HA 0.498 4.968 4.470 -0.000 0.000 0.307 335 S C 0.776 175.345 174.600 -0.051 0.000 1.119 335 S CA -0.599 57.589 58.200 -0.019 0.000 0.937 335 S CB 1.563 64.760 63.200 -0.004 0.000 1.150 335 S HN 0.832 nan 8.310 nan 0.000 0.521 336 R N 0.100 120.556 120.500 -0.073 0.000 2.189 336 R HA -0.088 4.252 4.340 -0.000 0.000 0.223 336 R C 1.819 178.075 176.300 -0.073 0.000 1.092 336 R CA 1.578 57.615 56.100 -0.105 0.000 0.989 336 R CB -0.314 29.912 30.300 -0.124 0.000 0.876 336 R HN 0.826 nan 8.270 nan 0.000 0.457 337 E N 1.135 121.307 120.200 -0.046 0.000 2.015 337 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 337 E C 1.811 178.400 176.600 -0.018 0.000 0.991 337 E CA 1.653 58.035 56.400 -0.029 0.000 0.802 337 E CB -0.349 29.340 29.700 -0.018 0.000 0.759 337 E HN 0.394 nan 8.360 nan 0.000 0.447 338 I N 0.623 121.187 120.570 -0.010 0.000 2.208 338 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 338 I C 2.441 178.564 176.117 0.009 0.000 1.097 338 I CA 0.993 62.294 61.300 0.003 0.000 1.363 338 I CB -0.343 37.662 38.000 0.010 0.000 1.051 338 I HN 0.216 nan 8.210 nan 0.000 0.413 339 L N 0.045 121.267 121.223 -0.001 0.000 1.976 339 L HA -0.265 4.075 4.340 -0.000 0.000 0.209 339 L C 2.725 179.601 176.870 0.011 0.000 1.071 339 L CA 1.737 56.588 54.840 0.018 0.000 0.746 339 L CB -0.775 41.258 42.059 -0.042 0.000 0.890 339 L HN 0.371 nan 8.230 nan 0.000 0.432 340 Q N -0.252 119.531 119.800 -0.029 0.000 2.135 340 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 340 Q C 1.607 177.608 176.000 0.002 0.000 0.981 340 Q CA 2.044 57.832 55.803 -0.024 0.000 0.856 340 Q CB 0.126 28.838 28.738 -0.044 0.000 0.902 340 Q HN 0.419 nan 8.270 nan 0.000 0.425 341 D N 0.037 120.439 120.400 0.003 0.000 2.149 341 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 341 D C 1.154 177.465 176.300 0.019 0.000 0.967 341 D CA 0.929 54.935 54.000 0.010 0.000 0.848 341 D CB -0.077 40.727 40.800 0.006 0.000 0.998 341 D HN 0.296 nan 8.370 nan 0.000 0.474 342 S N -1.510 114.203 115.700 0.022 0.000 2.618 342 S HA 0.091 4.561 4.470 -0.000 0.000 0.254 342 S C 1.165 175.784 174.600 0.030 0.000 1.284 342 S CA 0.461 58.676 58.200 0.025 0.000 0.975 342 S CB 0.787 64.003 63.200 0.027 0.000 1.022 342 S HN 0.114 nan 8.310 nan 0.000 0.571 343 T N 0.173 114.744 114.554 0.028 0.000 2.999 343 T HA 0.098 4.447 4.350 -0.000 0.000 0.247 343 T C 1.828 176.541 174.700 0.022 0.000 1.012 343 T CA 0.565 62.681 62.100 0.027 0.000 1.048 343 T CB -0.484 68.399 68.868 0.024 0.000 1.020 343 T HN 0.746 nan 8.240 nan 0.000 0.478 344 V N 1.200 121.124 119.914 0.016 0.000 2.568 344 V HA -0.181 3.939 4.120 -0.000 0.000 0.253 344 V C 2.154 178.232 176.094 -0.027 0.000 1.072 344 V CA 2.085 64.384 62.300 -0.002 0.000 1.084 344 V CB -1.862 29.959 31.823 -0.003 0.000 0.676 344 V HN 0.380 nan 8.190 nan 0.000 0.469 345 T N 0.091 114.656 114.554 0.017 0.000 2.701 345 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 345 T C 2.003 176.729 174.700 0.043 0.000 1.040 345 T CA 1.965 64.103 62.100 0.063 0.000 1.147 345 T CB -0.308 68.660 68.868 0.165 0.000 0.865 345 T HN 0.482 nan 8.240 nan 0.000 0.426 346 R N 1.119 121.646 120.500 0.046 0.000 2.096 346 R HA -0.086 4.254 4.340 -0.000 0.000 0.240 346 R C 2.446 178.762 176.300 0.027 0.000 1.139 346 R CA 1.794 57.921 56.100 0.045 0.000 0.952 346 R CB -0.310 30.015 30.300 0.043 0.000 0.854 346 R HN 0.479 nan 8.270 nan 0.000 0.436 347 N N -0.071 118.636 118.700 0.012 0.000 2.013 347 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 347 N C 1.637 177.129 175.510 -0.031 0.000 1.051 347 N CA 1.170 54.224 53.050 0.006 0.000 0.851 347 N CB -0.189 38.304 38.487 0.012 0.000 1.044 347 N HN 0.105 nan 8.380 nan 0.000 0.422 348 L N 2.228 123.383 121.223 -0.114 0.000 2.051 348 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 348 L C 2.455 179.200 176.870 -0.209 0.000 1.076 348 L CA 1.526 56.192 54.840 -0.290 0.000 0.758 348 L CB -1.086 40.644 42.059 -0.548 0.000 0.890 348 L HN 0.215 nan 8.230 nan 0.000 0.433 349 R N -0.248 120.205 120.500 -0.078 0.000 2.096 349 R HA -0.196 4.144 4.340 -0.000 0.000 0.229 349 R C 2.036 178.344 176.300 0.012 0.000 1.134 349 R CA 1.993 58.100 56.100 0.012 0.000 0.917 349 R CB -0.202 30.145 30.300 0.078 0.000 0.832 349 R HN 0.388 nan 8.270 nan 0.000 0.430 350 N N 0.463 119.182 118.700 0.033 0.000 2.094 350 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 350 N C 1.605 177.142 175.510 0.044 0.000 1.023 350 N CA 1.561 54.643 53.050 0.052 0.000 0.857 350 N CB -0.523 37.999 38.487 0.059 0.000 1.013 350 N HN 0.409 nan 8.380 nan 0.000 0.426 351 A N 1.502 124.343 122.820 0.035 0.000 1.849 351 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 351 A C 2.454 180.066 177.584 0.045 0.000 1.202 351 A CA 1.290 53.361 52.037 0.056 0.000 0.629 351 A CB -1.065 17.996 19.000 0.103 0.000 0.834 351 A HN 0.246 nan 8.150 nan 0.000 0.447 352 L N -0.547 120.682 121.223 0.010 0.000 2.081 352 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 352 L C 2.843 179.709 176.870 -0.007 0.000 1.080 352 L CA 1.842 56.681 54.840 -0.001 0.000 0.754 352 L CB -0.886 41.146 42.059 -0.045 0.000 0.893 352 L HN 0.461 nan 8.230 nan 0.000 0.433 353 T N -0.293 114.261 114.554 -0.001 0.000 2.570 353 T HA -0.286 4.064 4.350 -0.000 0.000 0.266 353 T C 1.832 176.543 174.700 0.019 0.000 1.071 353 T CA 1.817 63.917 62.100 -0.000 0.000 1.172 353 T CB -0.231 68.673 68.868 0.061 0.000 0.864 353 T HN 0.325 nan 8.240 nan 0.000 0.421 354 K N 0.514 120.938 120.400 0.040 0.000 2.063 354 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 354 K C 2.576 179.186 176.600 0.017 0.000 1.048 354 K CA 1.196 57.506 56.287 0.038 0.000 0.928 354 K CB -0.203 32.321 32.500 0.039 0.000 0.713 354 K HN 0.019 nan 8.250 nan 0.000 0.442 355 R N 0.750 121.258 120.500 0.014 0.000 2.133 355 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 355 R C 2.082 178.368 176.300 -0.023 0.000 1.151 355 R CA 1.249 57.350 56.100 0.003 0.000 0.971 355 R CB -0.606 29.707 30.300 0.022 0.000 0.866 355 R HN 0.064 nan 8.270 nan 0.000 0.447 356 V N -0.109 119.784 119.914 -0.034 0.000 2.302 356 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 356 V C 2.132 178.202 176.094 -0.039 0.000 1.036 356 V CA 1.444 63.705 62.300 -0.065 0.000 1.020 356 V CB -0.439 31.311 31.823 -0.123 0.000 0.657 356 V HN 0.187 nan 8.190 nan 0.000 0.453 357 L N -0.261 120.965 121.223 0.005 0.000 2.081 357 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 357 L C 2.615 179.484 176.870 -0.001 0.000 1.080 357 L CA 1.785 56.650 54.840 0.041 0.000 0.754 357 L CB -0.647 41.461 42.059 0.080 0.000 0.893 357 L HN 0.333 nan 8.230 nan 0.000 0.433 358 Q N -0.415 119.375 119.800 -0.016 0.000 2.014 358 Q HA -0.285 4.054 4.340 -0.000 0.000 0.207 358 Q C 2.335 178.293 176.000 -0.070 0.000 0.993 358 Q CA 2.175 57.955 55.803 -0.039 0.000 0.850 358 Q CB -0.292 28.424 28.738 -0.035 0.000 0.916 358 Q HN 0.402 nan 8.270 nan 0.000 0.417 359 M N -0.758 118.793 119.600 -0.082 0.000 2.267 359 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 359 M C 1.314 177.535 176.300 -0.132 0.000 1.063 359 M CA 1.294 56.521 55.300 -0.123 0.000 1.090 359 M CB 0.091 32.616 32.600 -0.125 0.000 1.392 359 M HN 0.295 nan 8.290 nan 0.000 0.422 360 L N -0.808 120.352 121.223 -0.104 0.000 2.130 360 L HA -0.103 4.237 4.340 -0.000 0.000 0.200 360 L C 2.286 179.093 176.870 -0.106 0.000 1.075 360 L CA 0.913 55.696 54.840 -0.095 0.000 0.768 360 L CB -0.617 41.411 42.059 -0.050 0.000 0.933 360 L HN 0.260 nan 8.230 nan 0.000 0.451 361 E N 0.450 120.586 120.200 -0.106 0.000 2.086 361 E HA -0.336 4.013 4.350 -0.000 0.000 0.205 361 E C 2.210 178.703 176.600 -0.178 0.000 1.027 361 E CA 1.816 58.122 56.400 -0.156 0.000 0.830 361 E CB 0.061 29.706 29.700 -0.091 0.000 0.751 361 E HN 0.176 nan 8.360 nan 0.000 0.456 362 K N 0.159 120.475 120.400 -0.140 0.000 2.001 362 K HA -0.216 4.104 4.320 -0.000 0.000 0.214 362 K C 2.338 178.846 176.600 -0.153 0.000 1.050 362 K CA 1.508 57.711 56.287 -0.140 0.000 0.934 362 K CB -0.409 32.006 32.500 -0.142 0.000 0.718 362 K HN 0.170 nan 8.250 nan 0.000 0.443 363 L N 0.964 122.100 121.223 -0.145 0.000 2.131 363 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 363 L C 2.108 178.913 176.870 -0.108 0.000 1.092 363 L CA 1.984 56.764 54.840 -0.101 0.000 0.759 363 L CB -0.644 41.386 42.059 -0.048 0.000 0.903 363 L HN 0.180 nan 8.230 nan 0.000 0.435 364 A N -0.485 122.159 122.820 -0.292 0.000 1.908 364 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 364 A C 2.194 179.591 177.584 -0.313 0.000 1.181 364 A CA 1.802 53.467 52.037 -0.620 0.000 0.627 364 A CB -0.429 18.003 19.000 -0.947 0.000 0.818 364 A HN 0.438 nan 8.150 nan 0.000 0.445 365 K N -0.354 119.914 120.400 -0.220 0.000 2.262 365 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 365 K C 1.054 177.593 176.600 -0.101 0.000 1.049 365 K CA 0.850 57.050 56.287 -0.145 0.000 0.979 365 K CB -0.256 32.169 32.500 -0.125 0.000 0.773 365 K HN 0.435 nan 8.250 nan 0.000 0.474 366 D N 1.038 121.379 120.400 -0.098 0.000 2.107 366 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 366 D C 0.089 176.361 176.300 -0.046 0.000 0.978 366 D CA 1.171 55.126 54.000 -0.074 0.000 0.852 366 D CB 0.142 40.888 40.800 -0.092 0.000 1.008 366 D HN -0.004 nan 8.370 nan 0.000 0.458 367 D N -0.551 119.832 120.400 -0.030 0.000 2.404 367 D HA 0.389 5.029 4.640 -0.000 0.000 0.267 367 D C 0.310 176.640 176.300 0.050 0.000 1.194 367 D CA -0.333 53.672 54.000 0.009 0.000 0.910 367 D CB 1.199 42.008 40.800 0.015 0.000 1.090 367 D HN -0.054 nan 8.370 nan 0.000 0.511 368 A N 2.867 125.710 122.820 0.038 0.000 2.067 368 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 368 A C 1.870 179.525 177.584 0.117 0.000 1.158 368 A CA 1.333 53.414 52.037 0.072 0.000 0.661 368 A CB -0.107 18.909 19.000 0.026 0.000 0.801 368 A HN 0.507 nan 8.150 nan 0.000 0.452 369 E N 0.636 120.887 120.200 0.086 0.000 2.058 369 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 369 E C 1.871 178.540 176.600 0.115 0.000 0.997 369 E CA 1.994 58.446 56.400 0.087 0.000 0.801 369 E CB -0.208 29.529 29.700 0.062 0.000 0.746 369 E HN 0.585 nan 8.360 nan 0.000 0.450 370 K N -1.190 119.284 120.400 0.124 0.000 2.167 370 K HA -0.100 4.219 4.320 -0.000 0.000 0.203 370 K C 2.086 178.813 176.600 0.212 0.000 1.052 370 K CA 0.964 57.336 56.287 0.142 0.000 0.956 370 K CB -0.238 32.330 32.500 0.113 0.000 0.735 370 K HN 0.206 nan 8.250 nan 0.000 0.451 371 Y N 1.993 122.360 120.300 0.112 0.000 2.200 371 Y HA -0.257 4.293 4.550 -0.000 0.000 0.290 371 Y C 2.541 178.605 175.900 0.275 0.000 1.137 371 Y CA 1.527 59.733 58.100 0.176 0.000 1.163 371 Y CB -0.035 38.464 38.460 0.065 0.000 0.988 371 Y HN -0.002 nan 8.280 nan 0.000 0.518 372 Q N -0.107 119.868 119.800 0.292 0.000 2.152 372 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 372 Q C 2.169 178.268 176.000 0.164 0.000 0.985 372 Q CA 2.548 58.481 55.803 0.216 0.000 0.863 372 Q CB -0.771 28.060 28.738 0.156 0.000 0.904 372 Q HN 0.461 nan 8.270 nan 0.000 0.422 373 T N -0.025 114.612 114.554 0.138 0.000 2.643 373 T HA -0.152 4.197 4.350 -0.000 0.000 0.264 373 T C 1.330 176.075 174.700 0.076 0.000 1.045 373 T CA 1.368 63.521 62.100 0.088 0.000 1.155 373 T CB -0.622 68.307 68.868 0.102 0.000 0.863 373 T HN 0.471 nan 8.240 nan 0.000 0.420 374 F N 0.733 120.678 119.950 -0.008 0.000 2.091 374 F HA -0.171 4.355 4.527 -0.000 0.000 0.299 374 F C 2.280 178.061 175.800 -0.032 0.000 1.103 374 F CA 1.557 59.568 58.000 0.018 0.000 1.228 374 F CB -0.379 38.556 39.000 -0.108 0.000 0.984 374 F HN 0.323 nan 8.300 nan 0.000 0.477 375 W N 1.424 122.541 121.300 -0.305 0.000 2.354 375 W HA -0.251 4.408 4.660 -0.000 0.000 0.315 375 W C 2.215 178.525 176.519 -0.347 0.000 1.206 375 W CA 1.810 58.933 57.345 -0.370 0.000 1.290 375 W CB -0.740 28.614 29.460 -0.177 0.000 1.152 375 W HN 0.151 nan 8.180 nan 0.000 0.489 376 Q N -0.403 119.283 119.800 -0.191 0.000 2.443 376 Q HA -0.228 4.112 4.340 -0.000 0.000 0.213 376 Q C 1.971 177.705 176.000 -0.444 0.000 0.982 376 Q CA 1.355 56.989 55.803 -0.282 0.000 0.894 376 Q CB 0.000 28.665 28.738 -0.122 0.000 0.947 376 Q HN 0.278 nan 8.270 nan 0.000 0.480 377 Q N -2.403 117.042 119.800 -0.592 0.000 2.280 377 Q HA 0.136 4.476 4.340 -0.000 0.000 0.228 377 Q C 0.203 175.339 176.000 -1.440 0.000 0.857 377 Q CA 0.425 55.693 55.803 -0.891 0.000 0.939 377 Q CB 0.991 29.231 28.738 -0.830 0.000 1.114 377 Q HN 0.379 nan 8.270 nan 0.000 0.514 378 F N -2.195 117.199 119.950 -0.927 0.000 3.064 378 F HA 0.202 4.729 4.527 -0.000 0.000 0.384 378 F C 1.746 176.908 175.800 -1.063 0.000 1.083 378 F CA -0.002 57.317 58.000 -1.135 0.000 1.037 378 F CB 0.197 38.132 39.000 -1.775 0.000 1.322 378 F HN 0.035 nan 8.300 nan 0.000 0.535 379 G N 2.107 110.232 108.800 -1.124 0.000 2.599 379 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 379 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 379 G C 1.579 176.017 174.900 -0.769 0.000 1.193 379 G CA 1.571 45.705 45.100 -1.611 0.000 0.778 379 G HN 0.317 nan 8.290 nan 0.000 0.589 380 L N 0.148 121.078 121.223 -0.488 0.000 2.261 380 L HA -0.086 4.254 4.340 -0.000 0.000 0.216 380 L C 2.800 179.721 176.870 0.085 0.000 1.114 380 L CA 0.370 55.132 54.840 -0.129 0.000 0.777 380 L CB -0.528 41.531 42.059 -0.000 0.000 0.910 380 L HN 0.151 nan 8.230 nan 0.000 0.440 381 V N -0.493 119.432 119.914 0.018 0.000 2.500 381 V HA -0.156 3.963 4.120 -0.000 0.000 0.243 381 V C 2.340 178.552 176.094 0.197 0.000 1.039 381 V CA 0.834 63.202 62.300 0.113 0.000 1.053 381 V CB 0.026 31.825 31.823 -0.041 0.000 0.695 381 V HN 0.306 nan 8.190 nan 0.000 0.463 382 L N -0.022 121.270 121.223 0.117 0.000 2.043 382 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 382 L C 2.561 179.600 176.870 0.281 0.000 1.075 382 L CA 1.890 56.931 54.840 0.334 0.000 0.752 382 L CB -0.371 41.900 42.059 0.354 0.000 0.891 382 L HN 0.322 nan 8.230 nan 0.000 0.432 383 K N -0.277 120.223 120.400 0.167 0.000 2.360 383 K HA -0.202 4.118 4.320 -0.000 0.000 0.201 383 K C 1.704 178.392 176.600 0.146 0.000 1.046 383 K CA 1.062 57.437 56.287 0.146 0.000 0.940 383 K CB -0.006 32.564 32.500 0.117 0.000 0.748 383 K HN 0.431 nan 8.250 nan 0.000 0.465 384 E N -0.441 119.895 120.200 0.226 0.000 2.338 384 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 384 E C 1.958 178.596 176.600 0.063 0.000 1.007 384 E CA 0.620 57.188 56.400 0.281 0.000 0.849 384 E CB 0.014 29.927 29.700 0.355 0.000 0.774 384 E HN 0.444 nan 8.360 nan 0.000 0.506 385 G N 2.236 111.024 108.800 -0.020 0.000 2.433 385 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 385 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 385 G C -0.799 173.820 174.900 -0.468 0.000 1.186 385 G CA 0.358 45.165 45.100 -0.488 0.000 0.779 385 G HN 0.223 nan 8.290 nan 0.000 0.543 386 P HA -0.041 nan 4.420 nan 0.000 0.218 386 P C 1.915 179.029 177.300 -0.309 0.000 1.146 386 P CA 1.784 64.734 63.100 -0.249 0.000 0.813 386 P CB -0.059 31.538 31.700 -0.171 0.000 0.778 387 A N -0.890 121.592 122.820 -0.565 0.000 1.970 387 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 387 A C 2.233 179.510 177.584 -0.512 0.000 1.170 387 A CA 1.343 52.758 52.037 -1.037 0.000 0.645 387 A CB -0.825 17.172 19.000 -1.672 0.000 0.816 387 A HN 0.179 nan 8.150 nan 0.000 0.447 388 E N 0.073 120.094 120.200 -0.299 0.000 2.033 388 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 388 E C -0.153 176.400 176.600 -0.079 0.000 0.960 388 E CA 0.364 56.690 56.400 -0.122 0.000 0.842 388 E CB -0.050 29.634 29.700 -0.027 0.000 0.816 388 E HN 0.273 nan 8.360 nan 0.000 0.468 389 D N 0.154 120.440 120.400 -0.189 0.000 2.435 389 D HA -0.007 4.632 4.640 -0.000 0.000 0.230 389 D C 0.162 176.444 176.300 -0.029 0.000 1.215 389 D CA -0.076 53.885 54.000 -0.064 0.000 0.947 389 D CB -0.061 40.698 40.800 -0.068 0.000 1.048 389 D HN 0.174 nan 8.370 nan 0.000 0.512 390 F N 3.774 123.685 119.950 -0.065 0.000 2.146 390 F HA -0.101 4.425 4.527 -0.000 0.000 0.298 390 F C 2.066 177.861 175.800 -0.009 0.000 1.096 390 F CA 1.471 59.450 58.000 -0.036 0.000 1.275 390 F CB -0.148 38.850 39.000 -0.004 0.000 1.008 390 F HN 0.409 nan 8.300 nan 0.000 0.480 391 A N 0.751 123.629 122.820 0.097 0.000 1.869 391 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 391 A C 1.716 179.247 177.584 -0.088 0.000 1.203 391 A CA 2.398 54.450 52.037 0.024 0.000 0.638 391 A CB -1.307 17.745 19.000 0.087 0.000 0.831 391 A HN 0.572 nan 8.150 nan 0.000 0.450 392 N N -0.604 118.068 118.700 -0.047 0.000 2.362 392 N HA 0.130 4.870 4.740 -0.000 0.000 0.204 392 N C 1.269 176.734 175.510 -0.075 0.000 1.166 392 N CA 0.473 53.505 53.050 -0.030 0.000 0.831 392 N CB 0.126 38.640 38.487 0.045 0.000 1.008 392 N HN 0.741 nan 8.380 nan 0.000 0.472 393 Q N 1.208 120.900 119.800 -0.180 0.000 2.112 393 Q HA -0.286 4.054 4.340 -0.000 0.000 0.206 393 Q C 1.802 177.754 176.000 -0.081 0.000 0.987 393 Q CA 1.587 57.277 55.803 -0.188 0.000 0.858 393 Q CB 0.050 28.578 28.738 -0.351 0.000 0.905 393 Q HN 0.511 nan 8.270 nan 0.000 0.420 394 E N -0.363 119.803 120.200 -0.056 0.000 2.023 394 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 394 E C 1.917 178.564 176.600 0.079 0.000 1.003 394 E CA 1.277 57.711 56.400 0.057 0.000 0.809 394 E CB -0.320 29.403 29.700 0.038 0.000 0.755 394 E HN 0.502 nan 8.360 nan 0.000 0.449 395 A N 0.940 123.786 122.820 0.042 0.000 1.892 395 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 395 A C 2.193 179.813 177.584 0.059 0.000 1.188 395 A CA 1.881 53.949 52.037 0.051 0.000 0.631 395 A CB -0.826 18.199 19.000 0.042 0.000 0.822 395 A HN 0.382 nan 8.150 nan 0.000 0.447 396 I N -0.275 120.328 120.570 0.055 0.000 2.127 396 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 396 I C 3.004 179.147 176.117 0.044 0.000 1.075 396 I CA 1.138 62.485 61.300 0.078 0.000 1.334 396 I CB -0.483 37.533 38.000 0.026 0.000 1.040 396 I HN 0.361 nan 8.210 nan 0.000 0.405 397 A N 0.792 123.613 122.820 0.001 0.000 1.884 397 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 397 A C 2.320 179.826 177.584 -0.130 0.000 1.197 397 A CA 2.523 54.517 52.037 -0.072 0.000 0.637 397 A CB -0.771 18.191 19.000 -0.063 0.000 0.827 397 A HN 0.358 nan 8.150 nan 0.000 0.450 398 K N -0.556 119.814 120.400 -0.049 0.000 2.173 398 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 398 K C 1.667 178.214 176.600 -0.088 0.000 1.046 398 K CA 1.547 57.807 56.287 -0.046 0.000 0.929 398 K CB -0.360 32.167 32.500 0.045 0.000 0.720 398 K HN 0.542 nan 8.250 nan 0.000 0.453 399 L N 0.521 121.725 121.223 -0.031 0.000 2.270 399 L HA 0.037 4.377 4.340 -0.000 0.000 0.210 399 L C 0.786 177.619 176.870 -0.062 0.000 1.104 399 L CA -0.095 54.767 54.840 0.036 0.000 0.804 399 L CB -0.263 41.921 42.059 0.209 0.000 0.937 399 L HN 0.103 nan 8.230 nan 0.000 0.450 400 L N 0.636 121.741 121.223 -0.196 0.000 2.489 400 L HA 0.022 4.361 4.340 -0.000 0.000 0.285 400 L C 0.215 176.530 176.870 -0.927 0.000 1.259 400 L CA 0.409 54.903 54.840 -0.578 0.000 0.828 400 L CB -0.037 41.741 42.059 -0.470 0.000 1.094 400 L HN 0.219 nan 8.230 nan 0.000 0.524 401 R N 1.705 121.271 120.500 -1.557 0.000 2.659 401 R HA 0.374 4.714 4.340 -0.000 0.000 0.290 401 R C -1.303 174.517 176.300 -0.800 0.000 1.253 401 R CA -0.331 55.080 56.100 -1.149 0.000 1.010 401 R CB 1.180 30.643 30.300 -1.396 0.000 1.236 401 R HN 0.342 nan 8.270 nan 0.000 0.413 402 F N 0.644 120.504 119.950 -0.150 0.000 2.450 402 F HA 0.797 5.323 4.527 -0.000 0.000 0.361 402 F C 0.858 176.700 175.800 0.069 0.000 1.092 402 F CA -0.838 57.178 58.000 0.027 0.000 1.105 402 F CB 0.882 39.893 39.000 0.018 0.000 1.458 402 F HN 0.402 nan 8.300 nan 0.000 0.496 403 A N 0.254 123.296 122.820 0.370 0.000 2.401 403 A HA 0.754 5.074 4.320 -0.000 0.000 0.310 403 A C -0.844 176.909 177.584 0.281 0.000 1.075 403 A CA -0.268 51.935 52.037 0.276 0.000 0.746 403 A CB 1.374 20.524 19.000 0.251 0.000 1.277 403 A HN 0.781 nan 8.150 nan 0.000 0.425 404 S N -0.468 115.392 115.700 0.266 0.000 2.596 404 S HA 0.506 4.975 4.470 -0.000 0.000 0.270 404 S C 0.717 175.467 174.600 0.250 0.000 1.155 404 S CA 0.295 58.645 58.200 0.251 0.000 0.827 404 S CB 0.699 64.054 63.200 0.258 0.000 1.130 404 S HN 1.589 nan 8.310 nan 0.000 0.467 405 T N -1.137 113.543 114.554 0.210 0.000 2.969 405 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 405 T C 1.497 176.301 174.700 0.173 0.000 1.127 405 T CA 1.734 63.932 62.100 0.163 0.000 1.102 405 T CB -1.098 67.842 68.868 0.121 0.000 0.855 405 T HN 0.798 nan 8.240 nan 0.000 0.536 406 H N 1.624 120.764 119.070 0.118 0.000 2.357 406 H HA -0.065 4.491 4.556 -0.000 0.000 0.296 406 H C -0.123 175.255 175.328 0.084 0.000 1.108 406 H CA 1.468 57.571 56.048 0.093 0.000 1.273 406 H CB 0.063 29.885 29.762 0.101 0.000 1.367 406 H HN 0.368 nan 8.280 nan 0.000 0.498 407 T N 0.833 115.460 114.554 0.122 0.000 2.952 407 T HA 0.044 4.393 4.350 -0.000 0.000 0.305 407 T C -0.416 174.364 174.700 0.134 0.000 1.064 407 T CA -0.462 61.675 62.100 0.062 0.000 1.008 407 T CB 1.862 70.768 68.868 0.063 0.000 1.078 407 T HN 0.290 nan 8.240 nan 0.000 0.459 408 D N 0.716 121.185 120.400 0.116 0.000 2.395 408 D HA 0.083 4.722 4.640 -0.000 0.000 0.250 408 D C 0.525 176.970 176.300 0.241 0.000 1.203 408 D CA -0.062 54.048 54.000 0.183 0.000 0.872 408 D CB 0.014 40.885 40.800 0.117 0.000 0.941 408 D HN 0.222 nan 8.370 nan 0.000 0.504 409 S N -0.343 115.456 115.700 0.164 0.000 2.541 409 S HA 0.286 4.756 4.470 -0.000 0.000 0.283 409 S C 1.318 175.824 174.600 -0.156 0.000 1.196 409 S CA -0.422 57.800 58.200 0.037 0.000 1.062 409 S CB 1.097 64.307 63.200 0.017 0.000 1.009 409 S HN 0.247 nan 8.310 nan 0.000 0.502 410 S N 3.565 118.904 115.700 -0.602 0.000 2.507 410 S HA 0.110 4.579 4.470 -0.000 0.000 0.235 410 S C 0.887 175.255 174.600 -0.387 0.000 0.988 410 S CA 0.264 57.785 58.200 -1.132 0.000 0.944 410 S CB -0.595 61.959 63.200 -1.078 0.000 0.762 410 S HN 0.970 nan 8.310 nan 0.000 0.526 411 A N 1.581 124.295 122.820 -0.177 0.000 2.540 411 A HA 0.219 4.539 4.320 -0.000 0.000 0.239 411 A C 0.432 178.037 177.584 0.036 0.000 1.061 411 A CA -0.253 51.759 52.037 -0.041 0.000 0.758 411 A CB -0.006 18.992 19.000 -0.004 0.000 0.991 411 A HN 0.576 nan 8.150 nan 0.000 0.502 412 Q N 1.848 121.706 119.800 0.096 0.000 3.008 412 Q HA 0.149 4.488 4.340 -0.000 0.000 0.307 412 Q C 0.980 177.020 176.000 0.067 0.000 1.273 412 Q CA 0.325 56.217 55.803 0.148 0.000 1.091 412 Q CB 0.118 29.040 28.738 0.306 0.000 1.393 412 Q HN 0.976 nan 8.270 nan 0.000 0.521 413 T N -3.799 110.791 114.554 0.060 0.000 2.976 413 T HA 0.065 4.415 4.350 -0.000 0.000 0.257 413 T C 0.995 175.691 174.700 -0.007 0.000 1.051 413 T CA -0.043 62.073 62.100 0.028 0.000 1.141 413 T CB 0.195 69.099 68.868 0.060 0.000 0.881 413 T HN 0.221 nan 8.240 nan 0.000 0.461 414 V N 2.984 122.921 119.914 0.040 0.000 3.051 414 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 414 V C 0.518 176.616 176.094 0.007 0.000 1.083 414 V CA 0.047 62.373 62.300 0.044 0.000 1.104 414 V CB 1.387 33.276 31.823 0.111 0.000 1.027 414 V HN 0.892 nan 8.190 nan 0.000 0.483 415 S N 4.242 119.947 115.700 0.008 0.000 2.751 415 S HA 0.522 4.992 4.470 -0.000 0.000 0.310 415 S C 0.565 175.201 174.600 0.061 0.000 1.128 415 S CA -0.822 57.364 58.200 -0.023 0.000 0.931 415 S CB 1.408 64.556 63.200 -0.086 0.000 1.177 415 S HN 0.469 nan 8.310 nan 0.000 0.530 416 L N 0.575 121.792 121.223 -0.011 0.000 2.217 416 L HA 0.047 4.386 4.340 -0.000 0.000 0.211 416 L C 2.632 179.630 176.870 0.214 0.000 1.107 416 L CA 1.069 55.898 54.840 -0.018 0.000 0.783 416 L CB -0.476 41.209 42.059 -0.623 0.000 0.919 416 L HN 0.762 nan 8.230 nan 0.000 0.442 417 E N 0.103 120.402 120.200 0.164 0.000 2.076 417 E HA -0.174 4.175 4.350 -0.000 0.000 0.190 417 E C 1.486 178.149 176.600 0.105 0.000 0.979 417 E CA 0.961 57.465 56.400 0.173 0.000 0.807 417 E CB 0.001 29.765 29.700 0.108 0.000 0.761 417 E HN 0.417 nan 8.360 nan 0.000 0.454 418 D N -0.043 120.397 120.400 0.065 0.000 2.265 418 D HA -0.169 4.470 4.640 -0.000 0.000 0.208 418 D C 1.460 177.780 176.300 0.033 0.000 0.977 418 D CA 0.868 54.878 54.000 0.016 0.000 0.871 418 D CB -0.109 40.685 40.800 -0.009 0.000 0.925 418 D HN 0.220 nan 8.370 nan 0.000 0.485 419 Y N 0.312 120.609 120.300 -0.006 0.000 2.230 419 Y HA -0.067 4.483 4.550 -0.000 0.000 0.294 419 Y C 2.131 178.039 175.900 0.013 0.000 1.120 419 Y CA 0.819 58.920 58.100 0.003 0.000 1.129 419 Y CB -0.308 38.172 38.460 0.034 0.000 1.040 419 Y HN -0.203 nan 8.280 nan 0.000 0.519 420 V N -0.327 119.688 119.914 0.168 0.000 2.392 420 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 420 V C 2.502 178.566 176.094 -0.049 0.000 1.059 420 V CA 2.131 64.462 62.300 0.052 0.000 1.051 420 V CB -1.051 30.852 31.823 0.135 0.000 0.658 420 V HN 0.515 nan 8.190 nan 0.000 0.455 421 S N -0.781 114.903 115.700 -0.028 0.000 2.507 421 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 421 S C 1.927 176.475 174.600 -0.086 0.000 0.988 421 S CA 1.082 59.254 58.200 -0.046 0.000 0.944 421 S CB -0.250 62.933 63.200 -0.029 0.000 0.762 421 S HN 0.636 nan 8.310 nan 0.000 0.526 422 R N -0.469 119.940 120.500 -0.152 0.000 2.282 422 R HA 0.316 4.656 4.340 -0.000 0.000 0.195 422 R C 0.442 176.633 176.300 -0.182 0.000 0.909 422 R CA -0.061 55.939 56.100 -0.167 0.000 1.039 422 R CB 0.040 30.209 30.300 -0.218 0.000 1.015 422 R HN 0.412 nan 8.270 nan 0.000 0.513 423 M N 1.705 121.170 119.600 -0.224 0.000 2.252 423 M HA 0.028 4.508 4.480 -0.000 0.000 0.333 423 M C 0.285 176.524 176.300 -0.102 0.000 1.111 423 M CA 0.888 56.066 55.300 -0.203 0.000 1.140 423 M CB 0.427 32.923 32.600 -0.172 0.000 1.538 423 M HN -0.194 nan 8.290 nan 0.000 0.448 424 K N 1.745 122.104 120.400 -0.068 0.000 2.168 424 K HA 0.290 4.610 4.320 -0.000 0.000 0.239 424 K C -0.443 176.145 176.600 -0.021 0.000 0.999 424 K CA -0.699 55.566 56.287 -0.036 0.000 0.900 424 K CB 0.713 33.200 32.500 -0.022 0.000 1.111 424 K HN 0.680 nan 8.250 nan 0.000 0.452 425 E N -0.677 119.514 120.200 -0.016 0.000 2.481 425 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 425 E C 0.708 177.308 176.600 0.000 0.000 0.992 425 E CA 0.493 56.886 56.400 -0.011 0.000 0.938 425 E CB -0.051 29.643 29.700 -0.011 0.000 0.933 425 E HN 0.742 nan 8.360 nan 0.000 0.453 426 G N 2.399 111.199 108.800 0.001 0.000 2.245 426 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.264 426 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.264 426 G C 0.382 175.301 174.900 0.032 0.000 0.985 426 G CA 0.578 45.686 45.100 0.013 0.000 0.625 426 G HN 0.710 nan 8.290 nan 0.000 0.536 427 Q N 0.724 120.545 119.800 0.036 0.000 2.489 427 Q HA 0.391 4.731 4.340 -0.000 0.000 0.231 427 Q C 1.234 177.247 176.000 0.023 0.000 1.273 427 Q CA 0.325 56.172 55.803 0.074 0.000 0.898 427 Q CB 0.183 28.965 28.738 0.073 0.000 1.545 427 Q HN 0.427 nan 8.270 nan 0.000 0.538 428 E N 2.894 123.100 120.200 0.009 0.000 2.478 428 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 428 E C -0.724 175.811 176.600 -0.108 0.000 1.045 428 E CA 0.610 56.987 56.400 -0.039 0.000 0.868 428 E CB 0.463 30.150 29.700 -0.022 0.000 0.885 428 E HN 0.372 nan 8.360 nan 0.000 0.505 429 K N -0.391 119.896 120.400 -0.189 0.000 2.385 429 K HA 0.453 4.773 4.320 -0.000 0.000 0.248 429 K C -1.059 175.219 176.600 -0.536 0.000 0.955 429 K CA -1.021 55.030 56.287 -0.394 0.000 0.816 429 K CB 1.949 34.157 32.500 -0.487 0.000 1.250 429 K HN -0.129 nan 8.250 nan 0.000 0.434 430 I N 2.300 122.548 120.570 -0.537 0.000 2.331 430 I HA 0.204 4.373 4.170 -0.000 0.000 0.292 430 I C -0.856 175.068 176.117 -0.321 0.000 0.998 430 I CA -0.172 60.868 61.300 -0.433 0.000 1.267 430 I CB 0.291 37.783 38.000 -0.846 0.000 1.386 430 I HN 0.378 nan 8.210 nan 0.000 0.476 431 Y N 6.896 127.260 120.300 0.106 0.000 2.328 431 Y HA 0.529 5.079 4.550 -0.000 0.000 0.337 431 Y C -0.209 175.764 175.900 0.121 0.000 1.008 431 Y CA -0.559 57.608 58.100 0.112 0.000 1.129 431 Y CB 0.881 39.396 38.460 0.093 0.000 1.185 431 Y HN 0.546 nan 8.280 nan 0.000 0.476 432 Y N 1.868 122.236 120.300 0.112 0.000 2.638 432 Y HA 0.823 5.373 4.550 -0.000 0.000 0.339 432 Y C -1.607 174.304 175.900 0.019 0.000 1.084 432 Y CA -1.922 56.185 58.100 0.011 0.000 1.068 432 Y CB 1.728 40.137 38.460 -0.086 0.000 1.294 432 Y HN 0.501 nan 8.280 nan 0.000 0.480 433 I N 2.241 122.845 120.570 0.057 0.000 2.619 433 I HA 0.509 4.678 4.170 -0.000 0.000 0.292 433 I C -1.286 174.879 176.117 0.080 0.000 1.100 433 I CA -0.756 60.515 61.300 -0.049 0.000 1.043 433 I CB 2.499 40.464 38.000 -0.060 0.000 1.239 433 I HN 0.954 nan 8.210 nan 0.000 0.420 434 T N 4.543 119.121 114.554 0.039 0.000 2.874 434 T HA 0.828 5.177 4.350 -0.000 0.000 0.321 434 T C -0.179 174.539 174.700 0.030 0.000 1.075 434 T CA -0.422 61.730 62.100 0.088 0.000 0.966 434 T CB 1.257 70.203 68.868 0.129 0.000 1.001 434 T HN 0.712 nan 8.240 nan 0.000 0.476 435 A N 2.547 125.390 122.820 0.038 0.000 3.200 435 A HA 0.771 5.091 4.320 -0.000 0.000 0.208 435 A C 0.615 178.216 177.584 0.029 0.000 1.360 435 A CA -0.612 51.436 52.037 0.017 0.000 0.892 435 A CB 0.620 19.625 19.000 0.008 0.000 1.600 435 A HN 0.670 nan 8.150 nan 0.000 0.501 436 D N -0.987 119.425 120.400 0.020 0.000 2.423 436 D HA 0.193 4.832 4.640 -0.000 0.000 0.208 436 D C 0.054 176.370 176.300 0.026 0.000 1.068 436 D CA 1.356 55.367 54.000 0.018 0.000 0.860 436 D CB 0.555 41.357 40.800 0.004 0.000 0.992 436 D HN 0.549 nan 8.370 nan 0.000 0.504 437 S N -1.410 114.315 115.700 0.041 0.000 2.587 437 S HA 0.160 4.629 4.470 -0.000 0.000 0.269 437 S C 0.269 174.935 174.600 0.109 0.000 1.154 437 S CA -0.779 57.465 58.200 0.072 0.000 0.824 437 S CB 1.455 64.686 63.200 0.053 0.000 1.118 437 S HN -0.052 nan 8.310 nan 0.000 0.462 438 Y N 1.869 122.182 120.300 0.022 0.000 2.036 438 Y HA -0.056 4.493 4.550 -0.000 0.000 0.273 438 Y C 2.715 178.633 175.900 0.029 0.000 1.135 438 Y CA 3.017 61.137 58.100 0.034 0.000 1.106 438 Y CB -1.168 37.313 38.460 0.035 0.000 0.976 438 Y HN 0.939 nan 8.280 nan 0.000 0.483 439 A N 0.623 123.447 122.820 0.005 0.000 1.927 439 A HA -0.262 4.057 4.320 -0.000 0.000 0.220 439 A C 2.443 179.960 177.584 -0.112 0.000 1.185 439 A CA 2.614 54.595 52.037 -0.093 0.000 0.639 439 A CB -1.704 17.309 19.000 0.022 0.000 0.820 439 A HN 0.712 nan 8.150 nan 0.000 0.451 440 A N -0.155 122.632 122.820 -0.054 0.000 1.834 440 A HA 0.068 4.387 4.320 -0.000 0.000 0.216 440 A C 2.597 180.138 177.584 -0.072 0.000 1.203 440 A CA 2.777 54.786 52.037 -0.045 0.000 0.621 440 A CB -1.395 17.595 19.000 -0.016 0.000 0.841 440 A HN 1.316 nan 8.150 nan 0.000 0.446 441 A N -0.588 122.186 122.820 -0.078 0.000 1.948 441 A HA -0.225 4.094 4.320 -0.000 0.000 0.220 441 A C 2.137 179.644 177.584 -0.128 0.000 1.177 441 A CA 2.286 54.276 52.037 -0.077 0.000 0.636 441 A CB -0.482 18.495 19.000 -0.037 0.000 0.815 441 A HN 0.605 nan 8.150 nan 0.000 0.449 442 K N 0.150 120.397 120.400 -0.255 0.000 2.288 442 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 442 K C 2.055 178.567 176.600 -0.147 0.000 1.048 442 K CA 1.464 57.583 56.287 -0.281 0.000 0.956 442 K CB -0.112 32.063 32.500 -0.540 0.000 0.746 442 K HN 0.624 nan 8.250 nan 0.000 0.461 443 S N -0.618 115.016 115.700 -0.111 0.000 2.458 443 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 443 S C 0.917 175.495 174.600 -0.036 0.000 1.019 443 S CA -0.067 58.096 58.200 -0.062 0.000 0.937 443 S CB -0.040 63.131 63.200 -0.048 0.000 0.788 443 S HN 0.185 nan 8.310 nan 0.000 0.511 444 S N 3.650 119.335 115.700 -0.024 0.000 2.561 444 S HA 0.109 4.579 4.470 -0.000 0.000 0.294 444 S C -0.961 173.653 174.600 0.024 0.000 1.294 444 S CA -0.766 57.450 58.200 0.027 0.000 1.055 444 S CB 0.739 63.970 63.200 0.052 0.000 0.819 444 S HN 0.334 nan 8.310 nan 0.000 0.503 445 P HA -0.070 nan 4.420 nan 0.000 0.219 445 P C 0.760 178.011 177.300 -0.082 0.000 1.150 445 P CA 1.298 64.355 63.100 -0.072 0.000 0.814 445 P CB -0.171 31.445 31.700 -0.140 0.000 0.787 446 H N -0.103 118.922 119.070 -0.074 0.000 2.431 446 H HA -0.117 4.439 4.556 -0.000 0.000 0.297 446 H C 2.120 177.401 175.328 -0.078 0.000 1.115 446 H CA 1.279 57.281 56.048 -0.077 0.000 1.277 446 H CB -0.994 28.724 29.762 -0.073 0.000 1.372 446 H HN 0.086 nan 8.280 nan 0.000 0.516 447 L N 0.110 121.365 121.223 0.053 0.000 1.994 447 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 447 L C 2.333 179.189 176.870 -0.025 0.000 1.071 447 L CA 1.268 56.114 54.840 0.009 0.000 0.745 447 L CB -0.400 41.661 42.059 0.002 0.000 0.892 447 L HN 0.331 nan 8.230 nan 0.000 0.431 448 E N 0.279 120.454 120.200 -0.041 0.000 2.267 448 E HA -0.236 4.113 4.350 -0.000 0.000 0.197 448 E C 2.075 178.639 176.600 -0.059 0.000 0.998 448 E CA 0.966 57.336 56.400 -0.051 0.000 0.830 448 E CB -0.197 29.463 29.700 -0.066 0.000 0.751 448 E HN 0.298 nan 8.360 nan 0.000 0.491 449 L N 0.699 121.879 121.223 -0.072 0.000 1.989 449 L HA -0.191 4.148 4.340 -0.000 0.000 0.211 449 L C 2.098 178.920 176.870 -0.080 0.000 1.071 449 L CA 1.750 56.543 54.840 -0.079 0.000 0.749 449 L CB -0.543 41.459 42.059 -0.095 0.000 0.890 449 L HN 0.065 nan 8.230 nan 0.000 0.431 450 L N -1.061 120.110 121.223 -0.087 0.000 2.209 450 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 450 L C 2.693 179.539 176.870 -0.039 0.000 1.094 450 L CA 0.878 55.665 54.840 -0.088 0.000 0.790 450 L CB -0.552 41.436 42.059 -0.119 0.000 0.932 450 L HN 0.301 nan 8.230 nan 0.000 0.447 451 R N 1.227 121.712 120.500 -0.025 0.000 2.152 451 R HA -0.201 4.139 4.340 -0.000 0.000 0.232 451 R C 2.267 178.557 176.300 -0.016 0.000 1.117 451 R CA 1.507 57.602 56.100 -0.009 0.000 0.981 451 R CB 0.035 30.330 30.300 -0.008 0.000 0.870 451 R HN 0.249 nan 8.270 nan 0.000 0.451 452 K N 0.045 120.428 120.400 -0.029 0.000 2.098 452 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 452 K C 1.741 178.324 176.600 -0.028 0.000 1.051 452 K CA 1.016 57.286 56.287 -0.028 0.000 0.957 452 K CB 0.149 32.628 32.500 -0.035 0.000 0.738 452 K HN -0.126 nan 8.250 nan 0.000 0.447 453 K N 0.169 120.547 120.400 -0.037 0.000 2.486 453 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 453 K C -0.021 176.563 176.600 -0.026 0.000 1.033 453 K CA 0.867 57.132 56.287 -0.037 0.000 1.004 453 K CB 0.190 32.659 32.500 -0.052 0.000 0.798 453 K HN 0.458 nan 8.250 nan 0.000 0.495 454 G N 0.780 109.569 108.800 -0.018 0.000 2.467 454 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.242 454 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.242 454 G C -0.304 174.597 174.900 0.001 0.000 1.127 454 G CA 0.031 45.128 45.100 -0.006 0.000 0.924 454 G HN 0.093 nan 8.290 nan 0.000 0.499 455 I N -1.211 119.366 120.570 0.010 0.000 3.445 455 I HA 0.752 4.922 4.170 -0.000 0.000 0.303 455 I C 0.218 176.381 176.117 0.077 0.000 1.129 455 I CA -1.482 59.837 61.300 0.033 0.000 0.989 455 I CB 1.788 39.803 38.000 0.025 0.000 1.314 455 I HN 0.323 nan 8.210 nan 0.000 0.488 456 E N 0.813 121.097 120.200 0.140 0.000 2.222 456 E HA 0.647 4.997 4.350 -0.000 0.000 0.267 456 E C -1.861 174.964 176.600 0.374 0.000 0.884 456 E CA -0.506 56.036 56.400 0.236 0.000 0.764 456 E CB 2.239 32.055 29.700 0.194 0.000 1.169 456 E HN 0.346 nan 8.360 nan 0.000 0.413 457 V N 5.126 125.210 119.914 0.283 0.000 2.444 457 V HA 0.299 4.419 4.120 -0.000 0.000 0.294 457 V C -0.096 176.112 176.094 0.190 0.000 1.022 457 V CA -0.842 61.596 62.300 0.231 0.000 0.850 457 V CB 1.347 33.254 31.823 0.140 0.000 0.992 457 V HN 0.723 nan 8.190 nan 0.000 0.426 458 L N 5.620 126.921 121.223 0.129 0.000 2.361 458 L HA 0.347 4.687 4.340 -0.000 0.000 0.278 458 L C -0.299 176.633 176.870 0.103 0.000 1.113 458 L CA -0.114 54.755 54.840 0.048 0.000 0.849 458 L CB 0.564 42.516 42.059 -0.178 0.000 1.155 458 L HN 0.486 nan 8.230 nan 0.000 0.452 459 L N 5.969 127.283 121.223 0.151 0.000 2.270 459 L HA 0.249 4.588 4.340 -0.000 0.000 0.286 459 L C -0.515 176.483 176.870 0.213 0.000 1.059 459 L CA -0.607 54.337 54.840 0.174 0.000 0.839 459 L CB 0.688 42.880 42.059 0.222 0.000 1.221 459 L HN 0.454 nan 8.230 nan 0.000 0.431 460 L N 3.461 124.791 121.223 0.178 0.000 2.397 460 L HA 0.118 4.458 4.340 -0.000 0.000 0.263 460 L C 1.095 178.068 176.870 0.172 0.000 1.136 460 L CA 0.421 55.383 54.840 0.202 0.000 1.019 460 L CB 0.744 42.900 42.059 0.161 0.000 1.352 460 L HN 0.598 nan 8.230 nan 0.000 0.420 461 S N -0.843 114.970 115.700 0.187 0.000 2.596 461 S HA 0.337 4.807 4.470 -0.000 0.000 0.248 461 S C -0.000 174.662 174.600 0.104 0.000 1.162 461 S CA -0.747 57.541 58.200 0.146 0.000 1.185 461 S CB -0.474 62.847 63.200 0.201 0.000 0.833 461 S HN 0.437 nan 8.310 nan 0.000 0.472 462 D N 1.017 121.475 120.400 0.097 0.000 2.350 462 D HA 0.265 4.905 4.640 -0.000 0.000 0.238 462 D C 0.842 177.163 176.300 0.035 0.000 0.989 462 D CA -0.775 53.251 54.000 0.045 0.000 0.921 462 D CB 1.613 42.440 40.800 0.045 0.000 1.297 462 D HN 0.151 nan 8.370 nan 0.000 0.490 463 R N 0.849 121.340 120.500 -0.016 0.000 2.080 463 R HA -0.107 4.232 4.340 -0.000 0.000 0.236 463 R C 2.108 178.429 176.300 0.035 0.000 1.137 463 R CA 1.230 57.319 56.100 -0.019 0.000 0.943 463 R CB -0.220 30.026 30.300 -0.089 0.000 0.846 463 R HN 0.565 nan 8.270 nan 0.000 0.431 464 I N 0.814 121.415 120.570 0.053 0.000 2.546 464 I HA -0.205 3.965 4.170 -0.000 0.000 0.255 464 I C 0.707 176.959 176.117 0.225 0.000 1.163 464 I CA 1.300 62.695 61.300 0.158 0.000 1.457 464 I CB -0.187 37.921 38.000 0.180 0.000 1.092 464 I HN 0.224 nan 8.210 nan 0.000 0.434 465 D N 1.235 121.731 120.400 0.159 0.000 2.157 465 D HA -0.328 4.311 4.640 -0.000 0.000 0.191 465 D C 1.911 178.292 176.300 0.134 0.000 1.004 465 D CA 1.992 56.080 54.000 0.146 0.000 0.854 465 D CB -0.349 40.538 40.800 0.144 0.000 0.936 465 D HN 0.556 nan 8.370 nan 0.000 0.446 466 E N -0.301 119.994 120.200 0.158 0.000 2.118 466 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 466 E C 1.970 178.698 176.600 0.213 0.000 0.992 466 E CA 1.238 57.736 56.400 0.163 0.000 0.804 466 E CB -0.405 29.383 29.700 0.146 0.000 0.741 466 E HN 0.450 nan 8.360 nan 0.000 0.458 467 W N 0.531 121.872 121.300 0.068 0.000 2.441 467 W HA -0.012 4.648 4.660 -0.000 0.000 0.302 467 W C 2.209 178.826 176.519 0.163 0.000 1.191 467 W CA 1.787 59.198 57.345 0.110 0.000 1.327 467 W CB -0.635 28.887 29.460 0.104 0.000 1.128 467 W HN 0.159 nan 8.180 nan 0.000 0.522 468 M N 0.287 119.917 119.600 0.050 0.000 2.088 468 M HA -0.334 4.145 4.480 -0.000 0.000 0.256 468 M C 1.853 178.058 176.300 -0.159 0.000 1.071 468 M CA 2.475 57.687 55.300 -0.148 0.000 1.097 468 M CB -0.454 32.132 32.600 -0.024 0.000 1.315 468 M HN -0.073 nan 8.290 nan 0.000 0.406 469 M N 0.367 119.875 119.600 -0.153 0.000 2.346 469 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 469 M C 1.459 177.649 176.300 -0.185 0.000 1.064 469 M CA 1.272 56.423 55.300 -0.247 0.000 1.083 469 M CB -1.925 30.518 32.600 -0.261 0.000 1.399 469 M HN 0.401 nan 8.290 nan 0.000 0.435 470 N N -0.528 118.063 118.700 -0.181 0.000 2.585 470 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 470 N C 0.829 175.984 175.510 -0.592 0.000 1.102 470 N CA 1.149 53.994 53.050 -0.341 0.000 0.920 470 N CB 0.042 38.295 38.487 -0.391 0.000 0.963 470 N HN 0.500 nan 8.380 nan 0.000 0.447 471 Y N -0.743 119.413 120.300 -0.239 0.000 2.494 471 Y HA 0.297 4.846 4.550 -0.000 0.000 0.271 471 Y C 1.035 176.840 175.900 -0.157 0.000 1.113 471 Y CA -0.376 57.613 58.100 -0.184 0.000 1.240 471 Y CB 0.547 38.847 38.460 -0.267 0.000 1.268 471 Y HN -0.112 nan 8.280 nan 0.000 0.510 472 L N 2.992 124.150 121.223 -0.107 0.000 2.533 472 L HA 0.057 4.397 4.340 -0.000 0.000 0.239 472 L C 1.226 177.948 176.870 -0.246 0.000 1.376 472 L CA 0.201 54.901 54.840 -0.234 0.000 1.240 472 L CB -0.387 41.411 42.059 -0.435 0.000 1.487 472 L HN 0.422 nan 8.230 nan 0.000 0.419 473 T N -0.955 113.582 114.554 -0.029 0.000 2.668 473 T HA -0.108 4.241 4.350 -0.000 0.000 0.258 473 T C 0.711 175.588 174.700 0.294 0.000 1.051 473 T CA 0.476 62.626 62.100 0.082 0.000 1.155 473 T CB 0.171 69.085 68.868 0.078 0.000 0.864 473 T HN 0.523 nan 8.240 nan 0.000 0.413 474 E N -0.307 120.061 120.200 0.280 0.000 2.272 474 E HA 0.521 4.870 4.350 -0.000 0.000 0.269 474 E C -2.060 174.771 176.600 0.384 0.000 0.877 474 E CA -1.144 55.444 56.400 0.312 0.000 0.755 474 E CB 1.785 31.566 29.700 0.135 0.000 1.192 474 E HN 0.324 nan 8.360 nan 0.000 0.422 475 F N 4.208 124.276 119.950 0.197 0.000 2.539 475 F HA 0.307 4.833 4.527 -0.000 0.000 0.318 475 F C -0.476 175.327 175.800 0.006 0.000 1.135 475 F CA -0.686 57.397 58.000 0.139 0.000 0.915 475 F CB 1.468 40.648 39.000 0.299 0.000 1.176 475 F HN 0.665 nan 8.300 nan 0.000 0.440 476 D N 4.476 124.369 120.400 -0.846 0.000 2.708 476 D HA -0.163 4.477 4.640 -0.000 0.000 0.236 476 D C 1.168 177.249 176.300 -0.365 0.000 1.146 476 D CA 2.065 55.605 54.000 -0.766 0.000 0.662 476 D CB -1.049 39.046 40.800 -1.174 0.000 1.059 476 D HN 1.546 nan 8.370 nan 0.000 0.428 477 G N -0.768 107.900 108.800 -0.219 0.000 2.328 477 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.256 477 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.256 477 G C 0.402 175.233 174.900 -0.115 0.000 1.014 477 G CA 0.818 45.839 45.100 -0.131 0.000 0.620 477 G HN 0.575 nan 8.290 nan 0.000 0.530 478 K N 2.562 122.868 120.400 -0.157 0.000 2.262 478 K HA 0.512 4.831 4.320 -0.000 0.000 0.282 478 K C -1.972 174.507 176.600 -0.203 0.000 1.066 478 K CA -1.867 54.324 56.287 -0.160 0.000 0.901 478 K CB 1.878 34.280 32.500 -0.163 0.000 1.089 478 K HN 0.205 nan 8.250 nan 0.000 0.476 479 P HA 0.097 nan 4.420 nan 0.000 0.274 479 P C -0.807 176.343 177.300 -0.250 0.000 1.256 479 P CA -0.255 62.794 63.100 -0.086 0.000 0.795 479 P CB 0.534 32.224 31.700 -0.016 0.000 1.038 480 F N -0.201 119.736 119.950 -0.022 0.000 2.422 480 F HA 0.510 5.037 4.527 -0.000 0.000 0.333 480 F C 0.835 176.687 175.800 0.086 0.000 1.095 480 F CA -0.035 57.965 58.000 -0.001 0.000 1.038 480 F CB 1.646 40.613 39.000 -0.056 0.000 1.156 480 F HN 0.180 nan 8.300 nan 0.000 0.483 481 Q N 1.841 121.791 119.800 0.250 0.000 2.263 481 Q HA 0.320 4.660 4.340 -0.000 0.000 0.262 481 Q C -1.021 174.968 176.000 -0.018 0.000 0.984 481 Q CA -0.507 55.370 55.803 0.123 0.000 0.813 481 Q CB 2.089 30.828 28.738 0.002 0.000 1.299 481 Q HN 0.559 nan 8.270 nan 0.000 0.428 482 S N 2.729 118.276 115.700 -0.255 0.000 2.523 482 S HA 0.252 4.721 4.470 -0.000 0.000 0.275 482 S C 1.229 175.673 174.600 -0.260 0.000 1.281 482 S CA -0.001 57.766 58.200 -0.722 0.000 1.050 482 S CB 0.553 63.344 63.200 -0.681 0.000 0.937 482 S HN 0.776 nan 8.310 nan 0.000 0.492 483 V N 3.679 123.458 119.914 -0.225 0.000 2.568 483 V HA -0.084 4.036 4.120 -0.000 0.000 0.253 483 V C 2.108 178.158 176.094 -0.074 0.000 1.072 483 V CA 1.990 64.248 62.300 -0.070 0.000 1.084 483 V CB -1.710 30.088 31.823 -0.043 0.000 0.676 483 V HN 0.962 nan 8.190 nan 0.000 0.469 484 S N -0.913 114.617 115.700 -0.284 0.000 2.595 484 S HA 0.081 4.550 4.470 -0.000 0.000 0.235 484 S C 0.715 175.269 174.600 -0.076 0.000 0.974 484 S CA 0.370 58.344 58.200 -0.375 0.000 0.942 484 S CB -0.401 62.581 63.200 -0.363 0.000 0.766 484 S HN 0.808 nan 8.310 nan 0.000 0.536 485 K N -0.805 119.579 120.400 -0.026 0.000 2.175 485 K HA 0.737 5.056 4.320 -0.000 0.000 0.257 485 K C -1.194 175.435 176.600 0.048 0.000 1.026 485 K CA -0.915 55.389 56.287 0.029 0.000 0.866 485 K CB 1.930 34.439 32.500 0.015 0.000 1.474 485 K HN 0.018 nan 8.250 nan 0.000 0.442 502 K N -0.459 119.936 120.400 -0.009 0.000 2.439 502 K HA 0.339 4.659 4.320 -0.000 0.000 0.197 502 K C 1.784 178.396 176.600 0.020 0.000 1.041 502 K CA 2.351 58.645 56.287 0.012 0.000 0.970 502 K CB -1.351 31.149 32.500 0.001 0.000 0.773 502 K HN 1.257 nan 8.250 nan 0.000 0.479 503 E N 0.179 120.388 120.200 0.015 0.000 2.086 503 E HA 0.329 4.679 4.350 -0.000 0.000 0.190 503 E C 2.451 179.065 176.600 0.023 0.000 0.975 503 E CA 1.079 57.489 56.400 0.016 0.000 0.813 503 E CB -0.762 28.944 29.700 0.009 0.000 0.768 503 E HN 0.767 nan 8.360 nan 0.000 0.457 504 A N 0.829 123.664 122.820 0.026 0.000 2.024 504 A HA 0.067 4.387 4.320 -0.000 0.000 0.220 504 A C 2.465 180.069 177.584 0.034 0.000 1.164 504 A CA 2.503 54.556 52.037 0.027 0.000 0.643 504 A CB -0.791 18.232 19.000 0.038 0.000 0.806 504 A HN 0.690 nan 8.150 nan 0.000 0.451 505 E N -0.516 119.716 120.200 0.053 0.000 2.106 505 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 505 E C 2.227 178.853 176.600 0.044 0.000 0.984 505 E CA 2.453 58.887 56.400 0.056 0.000 0.806 505 E CB -1.227 28.516 29.700 0.073 0.000 0.750 505 E HN 0.871 nan 8.360 nan 0.000 0.458 506 K N 0.530 120.953 120.400 0.039 0.000 1.978 506 K HA 0.251 4.570 4.320 -0.000 0.000 0.214 506 K C 2.763 179.392 176.600 0.049 0.000 1.049 506 K CA 2.118 58.428 56.287 0.039 0.000 0.939 506 K CB -1.397 31.121 32.500 0.030 0.000 0.721 506 K HN 0.940 nan 8.250 nan 0.000 0.441 507 A N 0.754 123.602 122.820 0.047 0.000 2.076 507 A HA 0.208 4.528 4.320 -0.000 0.000 0.220 507 A C 2.772 180.416 177.584 0.101 0.000 1.160 507 A CA 2.499 54.575 52.037 0.065 0.000 0.653 507 A CB -1.089 17.941 19.000 0.051 0.000 0.801 507 A HN 1.264 nan 8.150 nan 0.000 0.455 508 L N -0.369 120.897 121.223 0.072 0.000 2.275 508 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 508 L C 2.765 179.717 176.870 0.137 0.000 1.119 508 L CA 2.660 57.549 54.840 0.081 0.000 0.790 508 L CB -2.376 39.685 42.059 0.004 0.000 0.919 508 L HN 0.793 nan 8.230 nan 0.000 0.443 509 T N -3.844 110.772 114.554 0.103 0.000 2.937 509 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 509 T C 0.267 175.031 174.700 0.106 0.000 1.051 509 T CA 1.119 63.277 62.100 0.096 0.000 1.141 509 T CB -1.030 67.877 68.868 0.064 0.000 0.879 509 T HN 0.450 nan 8.240 nan 0.000 0.459 510 P HA 0.050 nan 4.420 nan 0.000 0.216 510 P C 1.251 178.631 177.300 0.132 0.000 1.153 510 P CA 0.654 63.810 63.100 0.094 0.000 0.848 510 P CB -0.274 31.470 31.700 0.074 0.000 0.787 511 F N -0.092 119.890 119.950 0.053 0.000 2.095 511 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 511 F C 2.127 177.984 175.800 0.094 0.000 1.104 511 F CA 1.337 59.386 58.000 0.083 0.000 1.232 511 F CB -0.557 38.481 39.000 0.065 0.000 0.987 511 F HN -0.245 nan 8.300 nan 0.000 0.475 512 I N 0.247 121.026 120.570 0.349 0.000 2.151 512 I HA -0.379 3.791 4.170 -0.000 0.000 0.243 512 I C 1.870 178.071 176.117 0.140 0.000 1.080 512 I CA 1.996 63.440 61.300 0.239 0.000 1.339 512 I CB -0.576 37.521 38.000 0.161 0.000 1.039 512 I HN 0.141 nan 8.210 nan 0.000 0.409 513 D N 0.334 120.794 120.400 0.100 0.000 2.123 513 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 513 D C 2.330 178.657 176.300 0.045 0.000 0.992 513 D CA 1.094 55.131 54.000 0.062 0.000 0.833 513 D CB -0.084 40.743 40.800 0.047 0.000 0.954 513 D HN 0.212 nan 8.370 nan 0.000 0.455 514 R N -0.012 120.502 120.500 0.024 0.000 2.096 514 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 514 R C 2.197 178.523 176.300 0.043 0.000 1.127 514 R CA 0.823 56.944 56.100 0.036 0.000 0.968 514 R CB -0.325 29.968 30.300 -0.012 0.000 0.861 514 R HN 0.155 nan 8.270 nan 0.000 0.440 515 V N 1.356 121.270 119.914 -0.000 0.000 2.323 515 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 515 V C 2.072 178.174 176.094 0.013 0.000 1.041 515 V CA 1.594 63.890 62.300 -0.006 0.000 1.025 515 V CB -0.414 31.483 31.823 0.123 0.000 0.656 515 V HN 0.270 nan 8.190 nan 0.000 0.451 516 K N 0.518 120.947 120.400 0.048 0.000 2.211 516 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 516 K C 2.208 178.821 176.600 0.022 0.000 1.047 516 K CA 1.455 57.766 56.287 0.040 0.000 0.935 516 K CB -0.324 32.208 32.500 0.052 0.000 0.728 516 K HN 0.501 nan 8.250 nan 0.000 0.452 517 A N 1.325 124.161 122.820 0.026 0.000 1.970 517 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 517 A C 2.009 179.603 177.584 0.018 0.000 1.170 517 A CA 0.565 52.617 52.037 0.025 0.000 0.645 517 A CB -0.267 18.756 19.000 0.038 0.000 0.816 517 A HN 0.128 nan 8.150 nan 0.000 0.447 518 L N -0.448 120.777 121.223 0.004 0.000 2.017 518 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 518 L C 2.212 179.053 176.870 -0.049 0.000 1.073 518 L CA 1.871 56.692 54.840 -0.032 0.000 0.745 518 L CB -0.756 41.220 42.059 -0.139 0.000 0.894 518 L HN 0.422 nan 8.230 nan 0.000 0.432 519 L N -2.285 118.903 121.223 -0.059 0.000 2.265 519 L HA 0.227 4.567 4.340 -0.000 0.000 0.195 519 L C 1.801 178.653 176.870 -0.031 0.000 1.083 519 L CA 0.761 55.564 54.840 -0.062 0.000 0.798 519 L CB -0.423 41.577 42.059 -0.098 0.000 0.989 519 L HN 0.433 nan 8.230 nan 0.000 0.472 520 G N 0.266 109.056 108.800 -0.016 0.000 3.675 520 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.275 520 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.275 520 G C 0.407 175.307 174.900 0.001 0.000 1.648 520 G CA 0.189 45.287 45.100 -0.003 0.000 1.093 520 G HN 0.371 nan 8.290 nan 0.000 0.617 521 E N 0.556 120.754 120.200 -0.003 0.000 3.306 521 E HA 0.354 4.704 4.350 -0.000 0.000 0.197 521 E C 1.498 178.096 176.600 -0.004 0.000 0.980 521 E CA -0.340 56.060 56.400 0.000 0.000 1.259 521 E CB 0.911 30.611 29.700 0.001 0.000 1.112 521 E HN 0.440 nan 8.360 nan 0.000 0.458 522 R N -0.036 120.459 120.500 -0.009 0.000 2.223 522 R HA 0.134 4.474 4.340 -0.000 0.000 0.198 522 R C 0.405 176.711 176.300 0.010 0.000 0.984 522 R CA 0.442 56.538 56.100 -0.007 0.000 1.018 522 R CB 0.797 31.085 30.300 -0.021 0.000 0.945 522 R HN -0.076 nan 8.270 nan 0.000 0.479 523 V N 0.865 120.786 119.914 0.013 0.000 2.604 523 V HA 0.151 4.271 4.120 -0.000 0.000 0.305 523 V C 0.757 176.884 176.094 0.054 0.000 1.043 523 V CA -0.841 61.491 62.300 0.053 0.000 0.888 523 V CB 2.077 33.935 31.823 0.059 0.000 0.995 523 V HN 0.012 nan 8.190 nan 0.000 0.429 524 K N 1.263 121.702 120.400 0.064 0.000 2.362 524 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 524 K C 0.147 176.784 176.600 0.061 0.000 1.046 524 K CA 1.315 57.630 56.287 0.047 0.000 0.952 524 K CB 0.244 32.766 32.500 0.037 0.000 0.753 524 K HN 0.831 nan 8.250 nan 0.000 0.466 525 D N -1.881 118.573 120.400 0.090 0.000 2.742 525 D HA 0.171 4.811 4.640 -0.000 0.000 0.262 525 D C -1.930 174.456 176.300 0.144 0.000 1.240 525 D CA -0.516 53.541 54.000 0.095 0.000 0.752 525 D CB 1.810 42.658 40.800 0.079 0.000 1.290 525 D HN -0.209 nan 8.370 nan 0.000 0.420 526 V N 2.067 122.063 119.914 0.138 0.000 2.588 526 V HA 0.727 4.847 4.120 -0.000 0.000 0.304 526 V C -0.085 176.078 176.094 0.114 0.000 1.042 526 V CA -0.542 61.869 62.300 0.185 0.000 0.877 526 V CB 1.887 33.837 31.823 0.213 0.000 0.996 526 V HN 0.465 nan 8.190 nan 0.000 0.425 527 R N 3.974 124.517 120.500 0.070 0.000 2.836 527 R HA 0.669 5.008 4.340 -0.000 0.000 0.269 527 R C -1.805 174.463 176.300 -0.053 0.000 1.010 527 R CA -0.983 55.123 56.100 0.012 0.000 0.930 527 R CB 2.122 32.420 30.300 -0.003 0.000 1.218 527 R HN 0.355 nan 8.270 nan 0.000 0.473 528 L N 2.517 123.697 121.223 -0.071 0.000 2.324 528 L HA 0.359 4.698 4.340 -0.000 0.000 0.274 528 L C -0.143 176.609 176.870 -0.196 0.000 1.012 528 L CA -0.177 54.568 54.840 -0.158 0.000 0.859 528 L CB 1.250 43.220 42.059 -0.148 0.000 1.224 528 L HN 0.839 nan 8.230 nan 0.000 0.429 529 T N -1.418 112.996 114.554 -0.233 0.000 2.952 529 T HA 0.453 4.803 4.350 -0.000 0.000 0.286 529 T C 0.457 174.963 174.700 -0.322 0.000 1.024 529 T CA -0.587 61.397 62.100 -0.192 0.000 1.029 529 T CB 1.664 70.458 68.868 -0.123 0.000 1.094 529 T HN 0.441 nan 8.240 nan 0.000 0.515 530 H N 0.805 119.823 119.070 -0.088 0.000 2.539 530 H HA 0.259 4.815 4.556 -0.000 0.000 0.293 530 H C -0.025 175.242 175.328 -0.102 0.000 1.156 530 H CA -0.457 55.537 56.048 -0.090 0.000 1.012 530 H CB 0.152 29.871 29.762 -0.071 0.000 1.600 530 H HN 0.315 nan 8.280 nan 0.000 0.538 531 R N 1.669 122.129 120.500 -0.068 0.000 2.808 531 R HA -0.035 4.304 4.340 -0.000 0.000 0.248 531 R C 1.107 177.339 176.300 -0.114 0.000 1.539 531 R CA -0.229 55.807 56.100 -0.107 0.000 1.071 531 R CB -0.339 29.858 30.300 -0.172 0.000 1.172 531 R HN 0.221 nan 8.270 nan 0.000 0.579 532 L N 0.527 121.707 121.223 -0.070 0.000 1.944 532 L HA -0.224 4.116 4.340 -0.000 0.000 0.218 532 L C 1.501 178.296 176.870 -0.125 0.000 1.075 532 L CA 1.875 56.674 54.840 -0.069 0.000 0.767 532 L CB -1.580 40.455 42.059 -0.039 0.000 0.890 532 L HN 0.793 nan 8.230 nan 0.000 0.434 533 T N -0.912 113.571 114.554 -0.119 0.000 0.547 533 T HA -0.283 4.067 4.350 -0.000 0.000 0.773 533 T C 0.543 175.126 174.700 -0.196 0.000 0.992 533 T CA 1.595 63.609 62.100 -0.143 0.000 4.072 533 T CB -0.419 68.350 68.868 -0.165 0.000 2.301 533 T HN 0.539 nan 8.240 nan 0.000 0.398 534 D N 0.001 120.261 120.400 -0.234 0.000 2.503 534 D HA 0.257 4.896 4.640 -0.000 0.000 0.218 534 D C 0.069 176.050 176.300 -0.530 0.000 1.183 534 D CA 0.090 53.877 54.000 -0.354 0.000 0.827 534 D CB 0.624 41.349 40.800 -0.124 0.000 1.034 534 D HN 0.472 nan 8.370 nan 0.000 0.510 535 T N 2.527 116.861 114.554 -0.367 0.000 2.806 535 T HA 0.212 4.561 4.350 -0.000 0.000 0.290 535 T C -1.436 173.104 174.700 -0.267 0.000 0.966 535 T CA -1.274 60.681 62.100 -0.242 0.000 1.060 535 T CB 2.500 71.287 68.868 -0.135 0.000 0.927 535 T HN -0.092 nan 8.240 nan 0.000 0.485 536 P HA 0.109 nan 4.420 nan 0.000 0.214 536 P C 0.119 177.371 177.300 -0.080 0.000 1.162 536 P CA 0.619 63.759 63.100 0.067 0.000 0.874 536 P CB 0.381 32.245 31.700 0.273 0.000 0.784 537 A N -0.853 121.913 122.820 -0.090 0.000 2.569 537 A HA 0.807 5.127 4.320 -0.000 0.000 0.290 537 A C -1.284 176.179 177.584 -0.201 0.000 1.136 537 A CA -0.733 51.160 52.037 -0.239 0.000 0.710 537 A CB 1.510 20.321 19.000 -0.316 0.000 1.303 537 A HN 0.155 nan 8.150 nan 0.000 0.413 538 I N 0.548 120.941 120.570 -0.297 0.000 2.741 538 I HA 0.502 4.672 4.170 -0.000 0.000 0.288 538 I C -1.412 174.610 176.117 -0.160 0.000 1.482 538 I CA -0.865 60.322 61.300 -0.189 0.000 1.050 538 I CB 1.765 39.638 38.000 -0.212 0.000 1.388 538 I HN 0.917 nan 8.210 nan 0.000 0.428 539 V N 4.130 123.998 119.914 -0.076 0.000 2.644 539 V HA 0.899 5.019 4.120 -0.000 0.000 0.295 539 V C 0.092 176.183 176.094 -0.005 0.000 1.053 539 V CA 0.392 62.683 62.300 -0.014 0.000 0.987 539 V CB 1.191 32.946 31.823 -0.114 0.000 1.006 539 V HN 0.890 nan 8.190 nan 0.000 0.472 540 S N 2.733 118.484 115.700 0.085 0.000 2.740 540 S HA 0.934 5.404 4.470 -0.000 0.000 0.300 540 S C -0.359 174.354 174.600 0.188 0.000 1.147 540 S CA -0.435 57.830 58.200 0.108 0.000 0.871 540 S CB 2.064 65.299 63.200 0.060 0.000 1.173 540 S HN 1.128 nan 8.310 nan 0.000 0.510 541 T N 0.503 115.145 114.554 0.147 0.000 2.792 541 T HA 0.592 4.942 4.350 -0.000 0.000 0.303 541 T C -1.631 173.118 174.700 0.081 0.000 1.310 541 T CA -0.668 61.513 62.100 0.134 0.000 1.007 541 T CB 1.386 70.354 68.868 0.166 0.000 1.335 541 T HN 0.625 nan 8.240 nan 0.000 0.504 542 D N 0.006 120.441 120.400 0.058 0.000 2.478 542 D HA 0.719 5.359 4.640 -0.000 0.000 0.263 542 D C 0.331 176.654 176.300 0.038 0.000 1.153 542 D CA -0.241 53.784 54.000 0.042 0.000 1.038 542 D CB 0.784 41.602 40.800 0.031 0.000 1.120 542 D HN 0.740 nan 8.370 nan 0.000 0.564 566 Y N 0.075 120.401 120.300 0.042 0.000 2.654 566 Y HA 0.629 5.179 4.550 -0.000 0.000 0.328 566 Y C 0.283 176.229 175.900 0.076 0.000 1.174 566 Y CA -1.164 56.971 58.100 0.059 0.000 1.293 566 Y CB 1.203 39.707 38.460 0.072 0.000 1.464 566 Y HN 0.285 nan 8.280 nan 0.000 0.559 567 I N 1.229 121.972 120.570 0.288 0.000 2.389 567 I HA 0.163 4.333 4.170 -0.000 0.000 0.288 567 I C -1.239 175.014 176.117 0.226 0.000 0.999 567 I CA -0.527 60.895 61.300 0.202 0.000 1.129 567 I CB 1.128 39.205 38.000 0.129 0.000 1.288 567 I HN 0.323 nan 8.210 nan 0.000 0.444 568 F N 6.416 126.405 119.950 0.065 0.000 2.427 568 F HA 0.379 4.906 4.527 -0.000 0.000 0.352 568 F C 0.170 175.984 175.800 0.022 0.000 1.100 568 F CA -0.042 57.983 58.000 0.042 0.000 1.191 568 F CB 0.598 39.627 39.000 0.048 0.000 1.128 568 F HN 0.429 nan 8.300 nan 0.000 0.533 569 E N 5.607 125.460 120.200 -0.577 0.000 2.293 569 E HA 0.590 4.940 4.350 -0.000 0.000 0.270 569 E C -1.572 174.658 176.600 -0.617 0.000 0.879 569 E CA -0.880 55.258 56.400 -0.437 0.000 0.756 569 E CB 2.584 32.130 29.700 -0.256 0.000 1.208 569 E HN 0.423 nan 8.360 nan 0.000 0.428 570 L N 1.725 122.702 121.223 -0.411 0.000 2.350 570 L HA 0.453 4.793 4.340 -0.000 0.000 0.260 570 L C -0.553 176.141 176.870 -0.294 0.000 1.015 570 L CA -0.915 53.712 54.840 -0.355 0.000 0.821 570 L CB 1.458 43.352 42.059 -0.274 0.000 1.370 570 L HN 0.350 nan 8.230 nan 0.000 0.416 571 N N 1.072 119.624 118.700 -0.246 0.000 2.558 571 N HA 0.420 5.160 4.740 -0.000 0.000 0.242 571 N C -2.227 173.163 175.510 -0.199 0.000 0.979 571 N CA -2.162 50.746 53.050 -0.237 0.000 0.931 571 N CB 1.652 40.029 38.487 -0.184 0.000 1.122 571 N HN 0.200 nan 8.380 nan 0.000 0.508 572 P HA -0.061 nan 4.420 nan 0.000 0.223 572 P C -0.267 176.971 177.300 -0.104 0.000 1.144 572 P CA 1.118 64.096 63.100 -0.203 0.000 0.783 572 P CB 0.297 31.882 31.700 -0.192 0.000 0.771 573 D N -3.743 116.624 120.400 -0.055 0.000 2.349 573 D HA 0.003 4.642 4.640 -0.000 0.000 0.214 573 D C 0.443 176.779 176.300 0.059 0.000 1.063 573 D CA 0.252 54.254 54.000 0.004 0.000 0.847 573 D CB -0.372 40.443 40.800 0.026 0.000 0.933 573 D HN 0.245 nan 8.370 nan 0.000 0.513 574 H N 0.807 119.824 119.070 -0.089 0.000 2.487 574 H HA 0.167 4.723 4.556 -0.000 0.000 0.333 574 H C 1.419 176.706 175.328 -0.069 0.000 1.114 574 H CA -0.625 55.382 56.048 -0.068 0.000 1.310 574 H CB 1.450 31.172 29.762 -0.067 0.000 1.462 574 H HN -0.360 nan 8.280 nan 0.000 0.516 575 V N 4.743 124.478 119.914 -0.298 0.000 2.282 575 V HA -0.302 3.817 4.120 -0.000 0.000 0.249 575 V C 2.521 178.430 176.094 -0.307 0.000 1.057 575 V CA 1.983 64.117 62.300 -0.277 0.000 1.032 575 V CB -0.722 30.953 31.823 -0.248 0.000 0.645 575 V HN 0.708 nan 8.190 nan 0.000 0.447 576 L N -0.383 120.578 121.223 -0.437 0.000 2.191 576 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 576 L C 2.387 179.123 176.870 -0.223 0.000 1.103 576 L CA 0.927 55.628 54.840 -0.232 0.000 0.769 576 L CB -0.643 41.385 42.059 -0.051 0.000 0.908 576 L HN 0.254 nan 8.230 nan 0.000 0.438 577 V N -0.359 119.452 119.914 -0.172 0.000 2.453 577 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 577 V C 2.436 178.396 176.094 -0.223 0.000 1.048 577 V CA 1.482 63.676 62.300 -0.177 0.000 1.049 577 V CB -0.421 31.305 31.823 -0.161 0.000 0.672 577 V HN 0.396 nan 8.190 nan 0.000 0.457 578 K N -0.057 120.226 120.400 -0.194 0.000 2.116 578 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 578 K C 2.330 178.817 176.600 -0.188 0.000 1.052 578 K CA 0.816 57.008 56.287 -0.160 0.000 0.952 578 K CB -0.121 32.307 32.500 -0.119 0.000 0.729 578 K HN 0.226 nan 8.250 nan 0.000 0.446 579 R N 0.300 120.633 120.500 -0.279 0.000 2.316 579 R HA 0.004 4.344 4.340 -0.000 0.000 0.202 579 R C 1.431 177.340 176.300 -0.653 0.000 1.029 579 R CA 0.679 56.550 56.100 -0.381 0.000 1.018 579 R CB 0.165 30.236 30.300 -0.380 0.000 0.888 579 R HN 0.097 nan 8.270 nan 0.000 0.471 580 A N -0.782 121.692 122.820 -0.576 0.000 2.252 580 A HA 0.278 4.597 4.320 -0.000 0.000 0.213 580 A C 1.703 179.314 177.584 0.044 0.000 1.188 580 A CA 0.521 52.259 52.037 -0.498 0.000 0.863 580 A CB 0.319 19.130 19.000 -0.316 0.000 0.893 580 A HN 0.334 nan 8.150 nan 0.000 0.495 581 A N -0.443 122.424 122.820 0.077 0.000 2.147 581 A HA 0.100 4.419 4.320 -0.000 0.000 0.211 581 A C 1.193 178.842 177.584 0.109 0.000 1.160 581 A CA 1.001 53.219 52.037 0.301 0.000 0.781 581 A CB -0.101 18.985 19.000 0.142 0.000 0.842 581 A HN 0.263 nan 8.150 nan 0.000 0.475 582 D N 0.279 120.671 120.400 -0.014 0.000 2.349 582 D HA 0.038 4.677 4.640 -0.000 0.000 0.224 582 D C -0.055 176.224 176.300 -0.036 0.000 1.029 582 D CA 0.618 54.598 54.000 -0.034 0.000 0.879 582 D CB 0.009 40.771 40.800 -0.063 0.000 0.906 582 D HN 0.205 nan 8.370 nan 0.000 0.528 583 T N 0.378 114.919 114.554 -0.022 0.000 2.761 583 T HA 0.110 4.460 4.350 -0.000 0.000 0.296 583 T C 1.174 175.826 174.700 -0.080 0.000 0.934 583 T CA -0.169 61.932 62.100 0.003 0.000 1.091 583 T CB 2.238 71.173 68.868 0.111 0.000 0.896 583 T HN 0.078 nan 8.240 nan 0.000 0.515 584 E N 2.150 122.299 120.200 -0.085 0.000 2.332 584 E HA 0.027 4.376 4.350 -0.000 0.000 0.202 584 E C 0.153 176.676 176.600 -0.129 0.000 0.877 584 E CA -0.128 56.172 56.400 -0.165 0.000 0.979 584 E CB 0.381 30.016 29.700 -0.108 0.000 0.969 584 E HN 0.687 nan 8.360 nan 0.000 0.495 585 D N 1.395 121.782 120.400 -0.022 0.000 2.472 585 D HA -0.082 4.557 4.640 -0.000 0.000 0.248 585 D C 0.962 177.311 176.300 0.082 0.000 1.174 585 D CA 0.297 54.314 54.000 0.029 0.000 0.883 585 D CB 0.799 41.641 40.800 0.070 0.000 1.149 585 D HN 0.062 nan 8.370 nan 0.000 0.488 586 E N 3.021 123.258 120.200 0.062 0.000 2.204 586 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 586 E C 1.823 178.539 176.600 0.194 0.000 0.989 586 E CA 0.696 57.182 56.400 0.144 0.000 0.824 586 E CB -0.133 29.615 29.700 0.079 0.000 0.756 586 E HN 0.616 nan 8.360 nan 0.000 0.477 587 A N 1.863 124.760 122.820 0.128 0.000 1.845 587 A HA -0.173 4.146 4.320 -0.000 0.000 0.215 587 A C 2.115 179.779 177.584 0.133 0.000 1.195 587 A CA 1.332 53.430 52.037 0.101 0.000 0.616 587 A CB -0.177 18.861 19.000 0.064 0.000 0.832 587 A HN -0.029 nan 8.150 nan 0.000 0.443 588 K N -1.243 119.270 120.400 0.190 0.000 2.103 588 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 588 K C 1.647 178.527 176.600 0.467 0.000 1.052 588 K CA 0.720 57.178 56.287 0.285 0.000 0.945 588 K CB -0.773 31.954 32.500 0.378 0.000 0.722 588 K HN 0.467 nan 8.250 nan 0.000 0.443 589 F N 1.936 122.011 119.950 0.209 0.000 2.027 589 F HA -0.320 4.207 4.527 -0.000 0.000 0.297 589 F C 2.618 178.507 175.800 0.149 0.000 1.129 589 F CA 2.124 60.213 58.000 0.148 0.000 1.195 589 F CB -0.991 38.032 39.000 0.038 0.000 0.960 589 F HN 0.030 nan 8.300 nan 0.000 0.485 590 S N -0.893 114.845 115.700 0.064 0.000 2.399 590 S HA -0.223 4.246 4.470 -0.000 0.000 0.231 590 S C 2.017 176.595 174.600 -0.036 0.000 1.022 590 S CA 1.445 59.598 58.200 -0.078 0.000 0.983 590 S CB -0.509 62.694 63.200 0.005 0.000 0.803 590 S HN 0.532 nan 8.310 nan 0.000 0.480 591 E N 0.102 120.318 120.200 0.026 0.000 2.047 591 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 591 E C 1.540 178.096 176.600 -0.073 0.000 0.987 591 E CA 1.545 57.913 56.400 -0.053 0.000 0.799 591 E CB -0.416 29.225 29.700 -0.097 0.000 0.752 591 E HN 0.695 nan 8.360 nan 0.000 0.449 592 W N -0.208 121.063 121.300 -0.049 0.000 2.353 592 W HA -0.184 4.476 4.660 -0.000 0.000 0.319 592 W C 2.334 178.827 176.519 -0.044 0.000 1.207 592 W CA 1.334 58.660 57.345 -0.033 0.000 1.291 592 W CB -0.830 28.639 29.460 0.014 0.000 1.159 592 W HN -0.061 nan 8.180 nan 0.000 0.478 593 V N 0.273 120.271 119.914 0.141 0.000 2.332 593 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 593 V C 2.297 178.376 176.094 -0.025 0.000 1.055 593 V CA 1.994 64.308 62.300 0.022 0.000 1.038 593 V CB -0.845 30.860 31.823 -0.197 0.000 0.651 593 V HN 0.142 nan 8.190 nan 0.000 0.450 594 E N -0.140 120.027 120.200 -0.055 0.000 2.085 594 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 594 E C 2.172 178.775 176.600 0.006 0.000 0.994 594 E CA 1.496 57.864 56.400 -0.053 0.000 0.801 594 E CB -0.405 29.263 29.700 -0.053 0.000 0.743 594 E HN 0.587 nan 8.360 nan 0.000 0.453 595 L N 0.617 121.835 121.223 -0.008 0.000 2.012 595 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 595 L C 2.440 179.413 176.870 0.171 0.000 1.073 595 L CA 1.252 56.081 54.840 -0.019 0.000 0.748 595 L CB -0.256 41.694 42.059 -0.181 0.000 0.891 595 L HN 0.121 nan 8.230 nan 0.000 0.431 596 L N -0.933 120.410 121.223 0.200 0.000 2.017 596 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 596 L C 2.615 179.704 176.870 0.365 0.000 1.073 596 L CA 1.433 56.467 54.840 0.323 0.000 0.745 596 L CB -0.689 41.626 42.059 0.427 0.000 0.894 596 L HN 0.400 nan 8.230 nan 0.000 0.432 597 L N 0.366 121.681 121.223 0.155 0.000 1.970 597 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 597 L C 1.899 178.839 176.870 0.116 0.000 1.071 597 L CA 2.097 56.935 54.840 -0.003 0.000 0.751 597 L CB -0.680 41.177 42.059 -0.337 0.000 0.889 597 L HN 0.162 nan 8.230 nan 0.000 0.432 598 D N -1.116 119.367 120.400 0.137 0.000 2.190 598 D HA -0.253 4.387 4.640 -0.000 0.000 0.200 598 D C 2.125 178.474 176.300 0.081 0.000 0.992 598 D CA 1.419 55.511 54.000 0.153 0.000 0.854 598 D CB -0.008 40.998 40.800 0.344 0.000 0.936 598 D HN 0.546 nan 8.370 nan 0.000 0.462 599 Q N -0.048 119.932 119.800 0.299 0.000 1.967 599 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 599 Q C 2.123 178.145 176.000 0.036 0.000 0.985 599 Q CA 1.716 57.630 55.803 0.185 0.000 0.839 599 Q CB -0.211 28.754 28.738 0.379 0.000 0.906 599 Q HN 0.256 nan 8.270 nan 0.000 0.423 600 A N 0.554 123.443 122.820 0.115 0.000 1.986 600 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 600 A C 2.041 179.596 177.584 -0.048 0.000 1.171 600 A CA 1.346 53.412 52.037 0.048 0.000 0.640 600 A CB -0.796 18.285 19.000 0.135 0.000 0.811 600 A HN 0.474 nan 8.150 nan 0.000 0.451 601 L N -1.377 119.815 121.223 -0.051 0.000 1.976 601 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 601 L C 2.502 179.285 176.870 -0.146 0.000 1.071 601 L CA 1.420 56.184 54.840 -0.126 0.000 0.746 601 L CB -0.674 41.341 42.059 -0.073 0.000 0.890 601 L HN 0.458 nan 8.230 nan 0.000 0.432 602 L N 0.252 121.367 121.223 -0.181 0.000 2.187 602 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 602 L C 2.407 179.191 176.870 -0.143 0.000 1.100 602 L CA 1.885 56.597 54.840 -0.213 0.000 0.765 602 L CB -0.636 41.190 42.059 -0.388 0.000 0.904 602 L HN 0.183 nan 8.230 nan 0.000 0.437 603 A N -1.359 121.393 122.820 -0.113 0.000 2.021 603 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 603 A C 2.141 179.683 177.584 -0.070 0.000 1.163 603 A CA 1.181 53.174 52.037 -0.074 0.000 0.676 603 A CB -0.260 18.710 19.000 -0.051 0.000 0.818 603 A HN 0.459 nan 8.150 nan 0.000 0.453 604 E N -1.079 119.056 120.200 -0.108 0.000 2.498 604 E HA 0.189 4.539 4.350 -0.000 0.000 0.203 604 E C 1.541 178.079 176.600 -0.103 0.000 1.013 604 E CA 0.269 56.599 56.400 -0.117 0.000 0.927 604 E CB 0.150 29.717 29.700 -0.222 0.000 1.012 604 E HN 0.480 nan 8.360 nan 0.000 0.482 605 R N -1.925 118.520 120.500 -0.093 0.000 2.582 605 R HA 0.225 4.565 4.340 -0.000 0.000 0.285 605 R C 0.821 177.092 176.300 -0.048 0.000 0.940 605 R CA 0.419 56.488 56.100 -0.051 0.000 1.072 605 R CB 1.021 31.300 30.300 -0.035 0.000 1.527 605 R HN 0.104 nan 8.270 nan 0.000 0.538 606 G N 2.168 110.926 108.800 -0.070 0.000 2.233 606 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.270 606 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.270 606 G C -0.042 174.818 174.900 -0.068 0.000 1.011 606 G CA 1.360 46.419 45.100 -0.069 0.000 0.762 606 G HN 0.318 nan 8.290 nan 0.000 0.511 607 T N -0.709 113.801 114.554 -0.073 0.000 2.889 607 T HA 0.666 5.016 4.350 -0.000 0.000 0.315 607 T C -0.484 174.171 174.700 -0.075 0.000 1.291 607 T CA -0.728 61.334 62.100 -0.063 0.000 1.028 607 T CB 2.306 71.155 68.868 -0.031 0.000 1.235 607 T HN 0.429 nan 8.240 nan 0.000 0.491 608 L N 1.654 122.835 121.223 -0.070 0.000 2.388 608 L HA 0.489 4.829 4.340 -0.000 0.000 0.264 608 L C 1.281 178.138 176.870 -0.022 0.000 0.998 608 L CA -1.072 53.731 54.840 -0.061 0.000 0.817 608 L CB 2.059 44.056 42.059 -0.103 0.000 1.338 608 L HN 0.625 nan 8.230 nan 0.000 0.414 609 E N 0.858 121.055 120.200 -0.005 0.000 2.021 609 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 609 E C 0.089 176.694 176.600 0.008 0.000 1.015 609 E CA 1.710 58.114 56.400 0.006 0.000 0.824 609 E CB 0.138 29.845 29.700 0.012 0.000 0.762 609 E HN 0.534 nan 8.360 nan 0.000 0.454 610 D N -0.256 120.154 120.400 0.018 0.000 2.460 610 D HA 0.141 4.781 4.640 -0.000 0.000 0.268 610 D C -2.045 174.282 176.300 0.046 0.000 1.153 610 D CA -2.337 51.678 54.000 0.026 0.000 0.929 610 D CB 1.081 41.898 40.800 0.028 0.000 1.015 610 D HN -0.207 nan 8.370 nan 0.000 0.502 611 P HA -0.106 nan 4.420 nan 0.000 0.214 611 P C 1.138 178.493 177.300 0.091 0.000 1.163 611 P CA 0.943 64.070 63.100 0.046 0.000 0.883 611 P CB 0.244 31.951 31.700 0.011 0.000 0.788 612 N N -0.578 118.156 118.700 0.056 0.000 2.258 612 N HA -0.163 4.577 4.740 -0.000 0.000 0.187 612 N C 1.638 177.178 175.510 0.051 0.000 1.012 612 N CA 0.779 53.857 53.050 0.048 0.000 0.870 612 N CB -0.587 37.915 38.487 0.025 0.000 0.977 612 N HN 0.116 nan 8.380 nan 0.000 0.434 613 L N 0.547 121.807 121.223 0.061 0.000 1.988 613 L HA -0.046 4.293 4.340 -0.000 0.000 0.207 613 L C 2.144 179.050 176.870 0.059 0.000 1.071 613 L CA 1.272 56.139 54.840 0.045 0.000 0.744 613 L CB -0.897 41.189 42.059 0.046 0.000 0.893 613 L HN -0.033 nan 8.230 nan 0.000 0.433 614 F N 0.013 119.944 119.950 -0.032 0.000 2.091 614 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 614 F C 2.287 178.062 175.800 -0.041 0.000 1.103 614 F CA 2.002 59.980 58.000 -0.036 0.000 1.228 614 F CB -0.231 38.754 39.000 -0.025 0.000 0.984 614 F HN 0.083 nan 8.300 nan 0.000 0.477 615 I N -0.189 120.486 120.570 0.176 0.000 2.163 615 I HA -0.345 3.824 4.170 -0.000 0.000 0.243 615 I C 2.668 178.757 176.117 -0.046 0.000 1.085 615 I CA 1.684 63.026 61.300 0.071 0.000 1.347 615 I CB -0.513 37.535 38.000 0.080 0.000 1.044 615 I HN 0.116 nan 8.210 nan 0.000 0.408 616 R N 0.947 121.421 120.500 -0.044 0.000 2.083 616 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 616 R C 2.502 178.723 176.300 -0.132 0.000 1.137 616 R CA 1.515 57.573 56.100 -0.070 0.000 0.951 616 R CB -0.078 30.193 30.300 -0.049 0.000 0.851 616 R HN 0.266 nan 8.270 nan 0.000 0.434 617 R N 0.125 120.511 120.500 -0.189 0.000 2.070 617 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 617 R C 2.499 178.601 176.300 -0.330 0.000 1.138 617 R CA 2.071 58.009 56.100 -0.271 0.000 0.936 617 R CB -0.563 29.537 30.300 -0.334 0.000 0.839 617 R HN 0.348 nan 8.270 nan 0.000 0.429 618 M N 1.264 120.624 119.600 -0.400 0.000 2.073 618 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 618 M C 1.284 177.456 176.300 -0.213 0.000 1.070 618 M CA 1.998 57.090 55.300 -0.347 0.000 1.103 618 M CB -0.275 32.126 32.600 -0.332 0.000 1.321 618 M HN -0.000 nan 8.290 nan 0.000 0.405 619 N N 0.340 118.948 118.700 -0.153 0.000 2.272 619 N HA -0.188 4.552 4.740 -0.000 0.000 0.185 619 N C 1.646 177.093 175.510 -0.105 0.000 1.014 619 N CA 1.441 54.432 53.050 -0.099 0.000 0.870 619 N CB -0.326 38.121 38.487 -0.067 0.000 0.975 619 N HN 0.520 nan 8.380 nan 0.000 0.433 620 Q N 0.469 120.187 119.800 -0.137 0.000 1.965 620 Q HA 0.106 4.446 4.340 -0.000 0.000 0.200 620 Q C 1.857 177.771 176.000 -0.143 0.000 0.981 620 Q CA 1.081 56.806 55.803 -0.129 0.000 0.834 620 Q CB -0.242 28.407 28.738 -0.148 0.000 0.900 620 Q HN 0.315 nan 8.270 nan 0.000 0.426 621 L N 0.283 121.374 121.223 -0.221 0.000 2.261 621 L HA -0.202 4.137 4.340 -0.000 0.000 0.216 621 L C 2.154 178.947 176.870 -0.128 0.000 1.114 621 L CA 0.611 55.307 54.840 -0.240 0.000 0.777 621 L CB -0.489 41.293 42.059 -0.463 0.000 0.910 621 L HN 0.319 nan 8.230 nan 0.000 0.440 622 L N -1.025 120.132 121.223 -0.109 0.000 2.007 622 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 622 L C 2.599 179.447 176.870 -0.037 0.000 1.073 622 L CA 1.102 55.907 54.840 -0.058 0.000 0.744 622 L CB -0.602 41.425 42.059 -0.053 0.000 0.898 622 L HN 0.085 nan 8.230 nan 0.000 0.435 623 V N -0.099 119.790 119.914 -0.042 0.000 2.515 623 V HA -0.127 3.992 4.120 -0.000 0.000 0.250 623 V C 1.783 177.866 176.094 -0.019 0.000 1.058 623 V CA 1.208 63.492 62.300 -0.027 0.000 1.064 623 V CB -0.191 31.615 31.823 -0.029 0.000 0.675 623 V HN 0.590 nan 8.190 nan 0.000 0.461 624 S N 0.000 115.684 115.700 -0.026 0.000 2.498 624 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 624 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 624 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 624 S HN 0.000 nan 8.310 nan 0.000 0.517