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 3mhz_1_A DATA FIRST_RESID 15 DATA SEQUENCE SSQGLLGYYF SDLNFQAPMV VTSSTTGDLS IPSSELXXXX SENQYFQSAI DATA SEQUENCE WSGFIKVXXS DEYTFATSAD NXVTMWVDDQ EVINXXXXXN KIRLEKGRLY DATA SEQUENCE QIKIQYQREN PTEKGLDFKL YWTDSQNKKE VISSDNLQLP ELKQKSSXSR DATA SEQUENCE KKRXXXXXPT VPDRDNDGIP DSLEVEGYTV DVKNKRTFLS PWIXXXXXXX DATA SEQUENCE XLTKYKSSPE KWSTASDPYS DFEKVTGRID KNVSPEARXP LVAAYPIVXV DATA SEQUENCE DMENIILSKN EDQSTQNTDS QTRTISKNTS TSRTXTXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXAGF SNSNSSTVAI DXSLSLAGER TWAETMGLNT ADTARLNANI DATA SEQUENCE RYVNTGTAPI YNVLPTTSLV LGKNQTLATI KAKENQLSQI LAPNNYYPSK DATA SEQUENCE NLAPIALNAQ XDFSSTPITM NYNQFLELEK TKQLRLDTDQ VYGNIATYNF DATA SEQUENCE ENGRVRVDTG SNWSEVLPQI QETTARIIFN GKDLNLVERR IAAVNPSDPL DATA SEQUENCE ETTKPDMTLK EALKIAFGFN EPNGNLQYQG KDITEFDFNF DQQTSQNIKN DATA SEQUENCE QLAELNATNI YTVLDKIKLN AKMNILIRDK RFXYDRNNIA VGADESVVKE DATA SEQUENCE AXREVINSST EGLLLNIDKD IRKILSGYIV EIEDTEGLKE VINDRYDMLN DATA SEQUENCE ISSLRQDGKT FIDFKKYNDK LPLYISNPNY KVNVYAVTKE NTIINPSENG DATA SEQUENCE DTSTNGIKKI LIFSKKGYEI 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.646 174.600 0.077 0.000 1.055 15 S CA 0.000 58.237 58.200 0.062 0.000 1.107 15 S CB 0.000 63.227 63.200 0.046 0.000 0.593 16 S N 0.876 116.635 115.700 0.099 0.000 2.631 16 S HA 0.364 4.838 4.470 0.006 0.000 0.217 16 S C 0.380 175.096 174.600 0.192 0.000 0.958 16 S CA 0.015 58.293 58.200 0.131 0.000 0.920 16 S CB 0.078 63.367 63.200 0.147 0.000 0.776 16 S HN 0.511 nan 8.310 nan 0.000 0.517 17 Q N 0.632 120.528 119.800 0.160 0.000 2.248 17 Q HA 0.733 5.077 4.340 0.006 0.000 0.263 17 Q C 0.147 176.236 176.000 0.148 0.000 1.007 17 Q CA 0.514 56.421 55.803 0.173 0.000 0.877 17 Q CB 1.480 30.293 28.738 0.125 0.000 1.315 17 Q HN 0.486 nan 8.270 nan 0.000 0.454 18 G N 0.521 109.416 108.800 0.158 0.000 2.320 18 G HA2 0.044 4.007 3.960 0.006 0.000 0.274 18 G HA3 0.044 4.007 3.960 0.006 0.000 0.274 18 G C -1.607 173.376 174.900 0.138 0.000 1.324 18 G CA -0.715 44.457 45.100 0.120 0.000 0.957 18 G HN 0.593 nan 8.290 nan 0.000 0.481 19 L N 0.144 121.431 121.223 0.107 0.000 2.395 19 L HA 0.618 4.962 4.340 0.006 0.000 0.269 19 L C 0.105 177.073 176.870 0.164 0.000 1.133 19 L CA -0.776 54.139 54.840 0.126 0.000 0.812 19 L CB 1.220 43.336 42.059 0.093 0.000 1.125 19 L HN 0.509 nan 8.230 nan 0.000 0.452 20 L N 1.730 123.032 121.223 0.131 0.000 2.275 20 L HA 0.601 4.945 4.340 0.006 0.000 0.288 20 L C 0.161 177.001 176.870 -0.050 0.000 1.046 20 L CA 0.230 55.085 54.840 0.025 0.000 0.805 20 L CB 1.216 43.242 42.059 -0.054 0.000 1.193 20 L HN 0.538 nan 8.230 nan 0.000 0.426 21 G N 3.801 112.484 108.800 -0.195 0.000 2.415 21 G HA2 0.493 4.456 3.960 0.006 0.000 0.327 21 G HA3 0.493 4.456 3.960 0.006 0.000 0.327 21 G C -1.783 172.584 174.900 -0.888 0.000 1.182 21 G CA -0.273 44.483 45.100 -0.573 0.000 0.924 21 G HN 0.445 nan 8.290 nan 0.000 0.470 22 Y N 0.815 120.611 120.300 -0.841 0.000 2.328 22 Y HA 0.465 5.019 4.550 0.006 0.000 0.337 22 Y C -0.828 174.349 175.900 -1.205 0.000 0.966 22 Y CA -0.706 56.897 58.100 -0.829 0.000 1.136 22 Y CB 1.842 39.910 38.460 -0.654 0.000 1.170 22 Y HN 0.459 nan 8.280 nan 0.000 0.470 23 Y N 3.509 123.207 120.300 -1.003 0.000 2.328 23 Y HA 0.528 5.082 4.550 0.006 0.000 0.333 23 Y C -1.006 174.309 175.900 -0.976 0.000 0.958 23 Y CA -1.473 56.005 58.100 -1.036 0.000 1.167 23 Y CB 0.733 38.321 38.460 -1.454 0.000 1.151 23 Y HN 0.403 nan 8.280 nan 0.000 0.470 24 F N 0.276 120.114 119.950 -0.186 0.000 2.480 24 F HA 0.321 4.852 4.527 0.006 0.000 0.329 24 F C 1.321 177.214 175.800 0.156 0.000 1.091 24 F CA -0.826 57.166 58.000 -0.013 0.000 0.972 24 F CB 1.935 40.926 39.000 -0.016 0.000 1.150 24 F HN 0.505 nan 8.300 nan 0.000 0.467 25 S N -0.769 115.154 115.700 0.371 0.000 2.428 25 S HA -0.079 4.395 4.470 0.006 0.000 0.230 25 S C 0.372 175.105 174.600 0.223 0.000 1.014 25 S CA 0.483 58.889 58.200 0.344 0.000 0.957 25 S CB -0.662 62.697 63.200 0.266 0.000 0.784 25 S HN 0.716 nan 8.310 nan 0.000 0.499 26 D N 0.800 121.297 120.400 0.162 0.000 2.388 26 D HA 0.170 4.813 4.640 0.006 0.000 0.254 26 D C 0.912 177.169 176.300 -0.071 0.000 1.111 26 D CA -0.776 53.246 54.000 0.036 0.000 0.993 26 D CB 1.100 41.898 40.800 -0.003 0.000 1.118 26 D HN 0.132 nan 8.370 nan 0.000 0.502 27 L N 0.288 121.419 121.223 -0.154 0.000 2.395 27 L HA 0.107 4.450 4.340 0.006 0.000 0.218 27 L C 0.251 176.780 176.870 -0.568 0.000 1.130 27 L CA 1.128 55.803 54.840 -0.276 0.000 0.826 27 L CB -0.766 41.178 42.059 -0.192 0.000 0.941 27 L HN 0.389 nan 8.230 nan 0.000 0.451 28 N N -0.971 117.403 118.700 -0.543 0.000 2.467 28 N HA 0.201 4.945 4.740 0.006 0.000 0.278 28 N C -0.734 174.404 175.510 -0.619 0.000 1.306 28 N CA -0.149 52.514 53.050 -0.643 0.000 0.905 28 N CB 0.149 38.476 38.487 -0.266 0.000 1.236 28 N HN 0.051 nan 8.380 nan 0.000 0.509 29 F N -0.244 119.318 119.950 -0.647 0.000 3.093 29 F HA -0.300 4.231 4.527 0.006 0.000 0.287 29 F C 1.199 176.496 175.800 -0.839 0.000 0.882 29 F CA 0.354 57.498 58.000 -1.428 0.000 1.063 29 F CB -1.864 36.487 39.000 -1.081 0.000 1.097 29 F HN 0.358 nan 8.300 nan 0.000 0.604 30 Q N 0.002 119.662 119.800 -0.233 0.000 2.396 30 Q HA 0.481 4.825 4.340 0.006 0.000 0.220 30 Q C 1.262 177.368 176.000 0.176 0.000 0.900 30 Q CA 1.024 56.828 55.803 0.002 0.000 0.925 30 Q CB 0.604 29.334 28.738 -0.013 0.000 1.065 30 Q HN 0.504 nan 8.270 nan 0.000 0.535 31 A N 3.400 126.396 122.820 0.294 0.000 2.938 31 A HA 0.433 4.756 4.320 0.006 0.000 0.344 31 A C -2.458 175.329 177.584 0.338 0.000 1.142 31 A CA -1.435 50.767 52.037 0.275 0.000 0.841 31 A CB 0.323 19.432 19.000 0.181 0.000 1.083 31 A HN -0.124 nan 8.150 nan 0.000 0.479 32 P HA 0.132 nan 4.420 nan 0.000 0.276 32 P C 0.459 177.714 177.300 -0.074 0.000 1.243 32 P CA -0.081 62.912 63.100 -0.177 0.000 0.768 32 P CB 1.176 32.733 31.700 -0.238 0.000 0.856 33 M N 2.303 121.828 119.600 -0.125 0.000 2.615 33 M HA 0.123 4.607 4.480 0.006 0.000 0.262 33 M C 0.190 176.442 176.300 -0.079 0.000 1.198 33 M CA 0.631 55.932 55.300 0.000 0.000 1.165 33 M CB 0.341 33.056 32.600 0.191 0.000 1.310 33 M HN 0.059 nan 8.290 nan 0.000 0.494 34 V N 0.693 120.446 119.914 -0.269 0.000 2.733 34 V HA 0.420 4.544 4.120 0.006 0.000 0.306 34 V C -0.818 175.070 176.094 -0.344 0.000 1.084 34 V CA -0.980 61.110 62.300 -0.350 0.000 0.905 34 V CB 2.632 34.054 31.823 -0.668 0.000 1.010 34 V HN -0.149 nan 8.190 nan 0.000 0.424 35 V N 3.504 123.251 119.914 -0.277 0.000 2.409 35 V HA 0.844 4.967 4.120 0.006 0.000 0.291 35 V C -0.025 175.945 176.094 -0.206 0.000 1.020 35 V CA -0.060 62.037 62.300 -0.339 0.000 0.848 35 V CB 1.617 33.273 31.823 -0.278 0.000 0.990 35 V HN 1.011 nan 8.190 nan 0.000 0.430 36 T N 2.776 117.215 114.554 -0.190 0.000 2.786 36 T HA 0.542 4.895 4.350 0.006 0.000 0.316 36 T C -0.734 174.004 174.700 0.063 0.000 1.503 36 T CA -0.070 62.020 62.100 -0.017 0.000 1.019 36 T CB 1.973 70.811 68.868 -0.051 0.000 1.415 36 T HN 0.883 nan 8.240 nan 0.000 0.496 37 S N 1.203 116.985 115.700 0.137 0.000 2.638 37 S HA 0.863 5.336 4.470 0.006 0.000 0.298 37 S C -0.670 174.031 174.600 0.168 0.000 1.111 37 S CA -0.640 57.656 58.200 0.161 0.000 1.027 37 S CB 1.729 65.038 63.200 0.182 0.000 1.064 37 S HN 0.620 nan 8.310 nan 0.000 0.525 38 S N 0.871 116.667 115.700 0.160 0.000 2.502 38 S HA 0.449 4.922 4.470 0.006 0.000 0.304 38 S C 1.250 175.901 174.600 0.085 0.000 1.097 38 S CA -0.476 57.797 58.200 0.123 0.000 1.045 38 S CB 1.648 64.913 63.200 0.108 0.000 1.019 38 S HN 0.935 nan 8.310 nan 0.000 0.481 39 T N -0.626 113.970 114.554 0.070 0.000 2.904 39 T HA -0.005 4.349 4.350 0.006 0.000 0.267 39 T C 1.085 175.799 174.700 0.024 0.000 1.059 39 T CA 1.198 63.331 62.100 0.056 0.000 1.137 39 T CB -0.422 68.478 68.868 0.054 0.000 0.879 39 T HN 0.704 nan 8.240 nan 0.000 0.467 40 T N -2.503 112.051 114.554 0.000 0.000 2.841 40 T HA 0.647 5.001 4.350 0.006 0.000 0.276 40 T C 1.551 176.192 174.700 -0.097 0.000 1.003 40 T CA -0.187 61.887 62.100 -0.043 0.000 0.995 40 T CB 1.186 70.034 68.868 -0.032 0.000 1.260 40 T HN 0.054 nan 8.240 nan 0.000 0.581 41 G N -0.318 108.386 108.800 -0.160 0.000 2.625 41 G HA2 0.021 3.985 3.960 0.006 0.000 0.214 41 G HA3 0.021 3.985 3.960 0.006 0.000 0.214 41 G C 0.415 175.173 174.900 -0.237 0.000 1.132 41 G CA 0.148 45.106 45.100 -0.237 0.000 0.782 41 G HN 0.816 nan 8.290 nan 0.000 0.538 42 D N 0.711 121.016 120.400 -0.158 0.000 2.359 42 D HA 0.143 4.786 4.640 0.006 0.000 0.250 42 D C 1.145 177.420 176.300 -0.042 0.000 1.264 42 D CA -0.231 53.703 54.000 -0.109 0.000 0.911 42 D CB 0.308 41.076 40.800 -0.054 0.000 1.056 42 D HN 0.118 nan 8.370 nan 0.000 0.499 43 L N 2.194 123.392 121.223 -0.042 0.000 2.685 43 L HA 0.167 4.511 4.340 0.006 0.000 0.233 43 L C 0.775 177.806 176.870 0.268 0.000 1.173 43 L CA -0.325 54.533 54.840 0.031 0.000 0.961 43 L CB -0.071 41.729 42.059 -0.431 0.000 1.217 43 L HN 0.115 nan 8.230 nan 0.000 0.478 44 S N 0.994 116.809 115.700 0.192 0.000 2.572 44 S HA 0.383 4.856 4.470 0.006 0.000 0.279 44 S C 0.128 174.829 174.600 0.167 0.000 1.341 44 S CA 0.044 58.370 58.200 0.211 0.000 1.043 44 S CB 1.246 64.527 63.200 0.134 0.000 0.887 44 S HN 0.132 nan 8.310 nan 0.000 0.516 45 I N 4.181 124.832 120.570 0.135 0.000 2.437 45 I HA 0.295 4.468 4.170 0.006 0.000 0.279 45 I C -2.414 173.766 176.117 0.105 0.000 1.028 45 I CA -2.367 58.978 61.300 0.075 0.000 1.142 45 I CB 1.782 39.712 38.000 -0.116 0.000 1.266 45 I HN 0.358 nan 8.210 nan 0.000 0.461 46 P HA 0.129 nan 4.420 nan 0.000 0.274 46 P C 0.837 178.154 177.300 0.028 0.000 1.237 46 P CA -0.383 62.749 63.100 0.054 0.000 0.793 46 P CB 0.918 32.646 31.700 0.046 0.000 0.977 47 S N 0.608 116.295 115.700 -0.022 0.000 2.400 47 S HA -0.203 4.270 4.470 0.006 0.000 0.232 47 S C 1.808 176.388 174.600 -0.033 0.000 1.025 47 S CA 1.662 59.823 58.200 -0.065 0.000 0.993 47 S CB -1.720 61.420 63.200 -0.099 0.000 0.808 47 S HN 0.597 nan 8.310 nan 0.000 0.478 48 S N 1.919 117.610 115.700 -0.015 0.000 2.442 48 S HA -0.092 4.382 4.470 0.006 0.000 0.236 48 S C 1.442 176.033 174.600 -0.016 0.000 1.007 48 S CA 1.002 59.192 58.200 -0.016 0.000 0.965 48 S CB -0.624 62.569 63.200 -0.013 0.000 0.773 48 S HN 0.742 nan 8.310 nan 0.000 0.504 49 E N 0.527 120.736 120.200 0.014 0.000 2.489 49 E HA 0.297 4.651 4.350 0.006 0.000 0.193 49 E C 0.140 176.788 176.600 0.081 0.000 1.057 49 E CA -0.012 56.391 56.400 0.005 0.000 0.866 49 E CB 0.025 29.762 29.700 0.063 0.000 0.916 49 E HN 0.567 nan 8.360 nan 0.000 0.500 56 E N 1.183 121.427 120.200 0.074 0.000 2.268 56 E HA 0.124 4.478 4.350 0.006 0.000 0.195 56 E C 1.072 177.782 176.600 0.184 0.000 0.995 56 E CA 1.350 57.839 56.400 0.148 0.000 0.836 56 E CB -0.982 28.774 29.700 0.093 0.000 0.763 56 E HN 0.813 nan 8.360 nan 0.000 0.491 57 N N -0.464 118.299 118.700 0.105 0.000 2.251 57 N HA 0.060 4.804 4.740 0.006 0.000 0.217 57 N C 1.059 176.582 175.510 0.021 0.000 1.124 57 N CA -0.122 52.998 53.050 0.117 0.000 0.843 57 N CB 0.429 38.990 38.487 0.124 0.000 1.024 57 N HN 0.398 nan 8.380 nan 0.000 0.501 58 Q N -0.215 119.492 119.800 -0.156 0.000 2.444 58 Q HA 0.015 4.358 4.340 0.006 0.000 0.206 58 Q C -0.572 174.932 176.000 -0.826 0.000 0.948 58 Q CA 0.481 55.986 55.803 -0.497 0.000 0.946 58 Q CB 0.195 28.655 28.738 -0.463 0.000 1.027 58 Q HN 0.400 nan 8.270 nan 0.000 0.513 59 Y N 0.136 120.256 120.300 -0.299 0.000 2.365 59 Y HA 0.168 4.722 4.550 0.006 0.000 0.340 59 Y C -0.367 175.515 175.900 -0.030 0.000 1.016 59 Y CA -0.693 57.297 58.100 -0.184 0.000 1.196 59 Y CB 0.470 38.907 38.460 -0.039 0.000 1.167 59 Y HN -0.071 nan 8.280 nan 0.000 0.509 60 F N 2.517 122.618 119.950 0.252 0.000 2.402 60 F HA 0.327 4.858 4.527 0.006 0.000 0.355 60 F C 0.802 176.773 175.800 0.285 0.000 1.123 60 F CA -1.318 56.834 58.000 0.253 0.000 1.021 60 F CB 1.582 40.747 39.000 0.274 0.000 1.160 60 F HN 0.550 nan 8.300 nan 0.000 0.451 61 Q N 1.059 121.092 119.800 0.388 0.000 2.384 61 Q HA 0.161 4.504 4.340 0.006 0.000 0.207 61 Q C 0.074 176.107 176.000 0.055 0.000 0.904 61 Q CA 0.232 56.145 55.803 0.184 0.000 0.933 61 Q CB 0.715 29.498 28.738 0.076 0.000 1.077 61 Q HN 0.681 nan 8.270 nan 0.000 0.522 62 S N -1.117 114.677 115.700 0.157 0.000 2.596 62 S HA 0.856 5.330 4.470 0.006 0.000 0.270 62 S C -1.328 173.477 174.600 0.342 0.000 1.155 62 S CA -0.667 57.587 58.200 0.090 0.000 0.827 62 S CB 2.250 65.162 63.200 -0.480 0.000 1.130 62 S HN 0.096 nan 8.310 nan 0.000 0.467 63 A N 0.639 123.647 122.820 0.313 0.000 2.604 63 A HA 0.814 5.138 4.320 0.006 0.000 0.295 63 A C -1.627 175.819 177.584 -0.230 0.000 1.067 63 A CA -0.754 51.169 52.037 -0.190 0.000 0.683 63 A CB 0.996 19.375 19.000 -1.035 0.000 1.281 63 A HN 0.924 nan 8.150 nan 0.000 0.407 64 I N 1.431 121.717 120.570 -0.473 0.000 2.533 64 I HA 0.464 4.637 4.170 0.006 0.000 0.290 64 I C -1.065 174.741 176.117 -0.519 0.000 1.056 64 I CA -0.354 60.745 61.300 -0.335 0.000 1.057 64 I CB 1.777 39.660 38.000 -0.194 0.000 1.240 64 I HN 0.641 nan 8.210 nan 0.000 0.423 65 W N 3.673 124.919 121.300 -0.090 0.000 2.736 65 W HA 0.629 5.292 4.660 0.006 0.000 0.335 65 W C -0.483 175.997 176.519 -0.066 0.000 1.059 65 W CA -0.647 56.640 57.345 -0.097 0.000 1.226 65 W CB 2.328 31.697 29.460 -0.152 0.000 1.416 65 W HN 0.323 nan 8.180 nan 0.000 0.505 66 S N 0.275 116.067 115.700 0.152 0.000 2.564 66 S HA 0.903 5.376 4.470 0.006 0.000 0.274 66 S C -0.036 174.559 174.600 -0.009 0.000 1.124 66 S CA -0.311 57.898 58.200 0.014 0.000 0.869 66 S CB 2.713 65.888 63.200 -0.041 0.000 1.105 66 S HN 0.835 nan 8.310 nan 0.000 0.472 67 G N 0.872 109.593 108.800 -0.131 0.000 2.455 67 G HA2 0.460 4.423 3.960 0.006 0.000 0.223 67 G HA3 0.460 4.423 3.960 0.006 0.000 0.223 67 G C -2.275 172.424 174.900 -0.335 0.000 1.226 67 G CA -0.609 44.435 45.100 -0.094 0.000 0.948 67 G HN 0.494 nan 8.290 nan 0.000 0.478 68 F N -0.070 119.904 119.950 0.039 0.000 2.613 68 F HA 0.759 5.290 4.527 0.007 0.000 0.314 68 F C -0.050 175.778 175.800 0.047 0.000 1.075 68 F CA -0.855 57.175 58.000 0.050 0.000 0.945 68 F CB 2.324 41.356 39.000 0.054 0.000 1.310 68 F HN 0.549 nan 8.300 nan 0.000 0.467 69 I N 0.300 121.041 120.570 0.284 0.000 2.569 69 I HA 0.679 4.852 4.170 0.006 0.000 0.296 69 I C -1.041 175.254 176.117 0.298 0.000 1.028 69 I CA -0.997 60.427 61.300 0.207 0.000 1.082 69 I CB 1.914 39.986 38.000 0.120 0.000 1.264 69 I HN 0.565 nan 8.210 nan 0.000 0.429 70 K N 5.397 125.936 120.400 0.231 0.000 2.378 70 K HA 0.839 5.163 4.320 0.006 0.000 0.252 70 K C -1.015 175.738 176.600 0.256 0.000 0.931 70 K CA -0.768 55.660 56.287 0.235 0.000 0.794 70 K CB 2.395 34.981 32.500 0.144 0.000 1.181 70 K HN 0.782 nan 8.250 nan 0.000 0.425 75 D N 0.902 121.299 120.400 -0.005 0.000 2.692 75 D HA 0.268 4.911 4.640 0.006 0.000 0.290 75 D C -1.490 174.634 176.300 -0.294 0.000 1.281 75 D CA -0.447 53.389 54.000 -0.274 0.000 0.804 75 D CB 1.020 41.447 40.800 -0.621 0.000 1.331 75 D HN 0.308 nan 8.370 nan 0.000 0.432 76 E N 0.934 120.911 120.200 -0.371 0.000 2.227 76 E HA 0.339 4.693 4.350 0.006 0.000 0.282 76 E C -0.747 175.566 176.600 -0.477 0.000 1.015 76 E CA -0.217 56.028 56.400 -0.258 0.000 0.823 76 E CB 1.263 30.860 29.700 -0.171 0.000 1.081 76 E HN 0.329 nan 8.360 nan 0.000 0.396 77 Y N 0.178 120.364 120.300 -0.190 0.000 2.485 77 Y HA 0.277 4.831 4.550 0.006 0.000 0.345 77 Y C 0.251 175.995 175.900 -0.259 0.000 0.998 77 Y CA -0.740 57.177 58.100 -0.306 0.000 1.059 77 Y CB 2.402 40.602 38.460 -0.434 0.000 1.234 77 Y HN 0.221 nan 8.280 nan 0.000 0.461 78 T N 3.793 118.287 114.554 -0.101 0.000 2.791 78 T HA 0.433 4.787 4.350 0.006 0.000 0.288 78 T C -0.902 173.759 174.700 -0.065 0.000 0.999 78 T CA -0.607 61.465 62.100 -0.047 0.000 0.952 78 T CB -0.092 68.766 68.868 -0.016 0.000 0.938 78 T HN 0.201 nan 8.240 nan 0.000 0.444 79 F N 2.296 122.353 119.950 0.178 0.000 2.389 79 F HA 0.670 5.201 4.527 0.006 0.000 0.337 79 F C 0.780 176.652 175.800 0.119 0.000 1.112 79 F CA -0.440 57.661 58.000 0.169 0.000 1.192 79 F CB 0.878 39.944 39.000 0.111 0.000 1.185 79 F HN 0.636 nan 8.300 nan 0.000 0.552 80 A N 1.053 124.066 122.820 0.322 0.000 2.606 80 A HA 0.741 5.065 4.320 0.006 0.000 0.293 80 A C -0.525 177.192 177.584 0.223 0.000 1.082 80 A CA -0.412 51.751 52.037 0.210 0.000 0.685 80 A CB 1.415 20.491 19.000 0.126 0.000 1.284 80 A HN 0.744 nan 8.150 nan 0.000 0.408 81 T N -2.058 112.559 114.554 0.105 0.000 2.883 81 T HA 0.596 4.950 4.350 0.006 0.000 0.284 81 T C 0.940 175.597 174.700 -0.072 0.000 1.041 81 T CA 0.287 62.343 62.100 -0.073 0.000 1.007 81 T CB 1.154 69.849 68.868 -0.288 0.000 1.220 81 T HN 1.504 nan 8.240 nan 0.000 0.552 82 S N -0.726 114.787 115.700 -0.312 0.000 2.603 82 S HA 0.414 4.888 4.470 0.006 0.000 0.220 82 S C 0.964 175.488 174.600 -0.125 0.000 0.967 82 S CA -0.102 58.006 58.200 -0.153 0.000 0.920 82 S CB -0.392 62.715 63.200 -0.154 0.000 0.773 82 S HN 1.310 nan 8.310 nan 0.000 0.529 83 A N 0.664 123.409 122.820 -0.124 0.000 3.415 83 A HA 0.452 4.776 4.320 0.006 0.000 0.244 83 A C 0.278 177.962 177.584 0.166 0.000 0.988 83 A CA -0.488 51.615 52.037 0.109 0.000 0.991 83 A CB 0.199 19.399 19.000 0.332 0.000 1.240 83 A HN 0.114 nan 8.150 nan 0.000 0.541 84 D N 0.581 121.035 120.400 0.091 0.000 2.182 84 D HA -0.112 4.532 4.640 0.006 0.000 0.201 84 D C 0.906 177.264 176.300 0.097 0.000 0.986 84 D CA 1.106 55.163 54.000 0.094 0.000 0.847 84 D CB -0.025 40.809 40.800 0.056 0.000 0.942 84 D HN 0.760 nan 8.370 nan 0.000 0.467 88 T N 5.498 120.058 114.554 0.010 0.000 2.824 88 T HA 0.719 5.073 4.350 0.006 0.000 0.282 88 T C -0.527 173.934 174.700 -0.398 0.000 0.993 88 T CA -0.311 61.603 62.100 -0.309 0.000 0.967 88 T CB 1.468 70.056 68.868 -0.468 0.000 0.960 88 T HN 0.671 nan 8.240 nan 0.000 0.441 89 M N 3.544 122.849 119.600 -0.491 0.000 2.326 89 M HA 0.520 5.004 4.480 0.006 0.000 0.306 89 M C -1.873 174.191 176.300 -0.394 0.000 1.054 89 M CA -0.630 54.510 55.300 -0.266 0.000 0.922 89 M CB 1.757 34.288 32.600 -0.114 0.000 1.632 89 M HN 0.591 nan 8.290 nan 0.000 0.436 90 W N 4.478 125.737 121.300 -0.069 0.000 2.632 90 W HA 0.580 5.243 4.660 0.006 0.000 0.328 90 W C -1.358 175.088 176.519 -0.121 0.000 1.044 90 W CA -0.904 56.397 57.345 -0.074 0.000 1.225 90 W CB 1.792 31.214 29.460 -0.063 0.000 1.396 90 W HN 0.303 nan 8.180 nan 0.000 0.499 91 V N 3.710 123.680 119.914 0.093 0.000 2.347 91 V HA 0.049 4.172 4.120 0.006 0.000 0.280 91 V C -0.129 176.049 176.094 0.140 0.000 1.021 91 V CA -0.548 61.779 62.300 0.045 0.000 0.847 91 V CB 0.925 32.730 31.823 -0.030 0.000 0.990 91 V HN 0.545 nan 8.190 nan 0.000 0.444 92 D N 4.562 125.044 120.400 0.137 0.000 2.886 92 D HA -0.188 4.456 4.640 0.006 0.000 0.221 92 D C 0.676 177.044 176.300 0.113 0.000 1.227 92 D CA 1.210 55.284 54.000 0.123 0.000 0.746 92 D CB -0.586 40.328 40.800 0.190 0.000 0.935 92 D HN 0.898 nan 8.370 nan 0.000 0.399 93 D N -1.204 119.254 120.400 0.097 0.000 3.070 93 D HA -0.259 4.384 4.640 0.006 0.000 0.220 93 D C 0.404 176.847 176.300 0.238 0.000 1.176 93 D CA 1.202 55.267 54.000 0.109 0.000 0.924 93 D CB -0.794 40.013 40.800 0.012 0.000 1.124 93 D HN 0.660 nan 8.370 nan 0.000 0.411 94 Q N 0.588 120.531 119.800 0.239 0.000 2.314 94 Q HA 0.277 4.620 4.340 0.006 0.000 0.259 94 Q C -0.420 175.671 176.000 0.152 0.000 0.951 94 Q CA -0.380 55.536 55.803 0.190 0.000 0.909 94 Q CB 1.033 29.846 28.738 0.126 0.000 1.236 94 Q HN 0.112 nan 8.270 nan 0.000 0.444 95 E N 2.693 122.925 120.200 0.053 0.000 2.328 95 E HA -0.009 4.344 4.350 0.006 0.000 0.265 95 E C 0.016 176.537 176.600 -0.130 0.000 1.057 95 E CA -0.069 56.187 56.400 -0.240 0.000 0.916 95 E CB 1.006 30.553 29.700 -0.254 0.000 0.993 95 E HN 0.505 nan 8.360 nan 0.000 0.446 96 V N 5.774 125.598 119.914 -0.150 0.000 3.523 96 V HA 0.247 4.370 4.120 0.006 0.000 0.255 96 V C 0.073 176.150 176.094 -0.029 0.000 1.226 96 V CA 0.411 62.693 62.300 -0.030 0.000 1.092 96 V CB 0.408 32.251 31.823 0.034 0.000 0.817 96 V HN 0.507 nan 8.190 nan 0.000 0.458 97 I N 0.831 121.331 120.570 -0.118 0.000 2.619 97 I HA 0.442 4.616 4.170 0.006 0.000 0.292 97 I C -0.490 175.528 176.117 -0.165 0.000 1.100 97 I CA -0.263 60.987 61.300 -0.084 0.000 1.043 97 I CB 2.039 40.027 38.000 -0.021 0.000 1.239 97 I HN 0.212 nan 8.210 nan 0.000 0.420 105 K N 0.926 121.343 120.400 0.028 0.000 2.211 105 K HA 0.870 5.193 4.320 0.006 0.000 0.275 105 K C -0.187 176.441 176.600 0.047 0.000 1.024 105 K CA -0.491 55.808 56.287 0.019 0.000 0.887 105 K CB 1.016 33.503 32.500 -0.021 0.000 1.084 105 K HN 1.265 nan 8.250 nan 0.000 0.463 106 I N 1.270 121.890 120.570 0.084 0.000 2.441 106 I HA 0.495 4.669 4.170 0.006 0.000 0.295 106 I C 0.050 176.223 176.117 0.093 0.000 0.994 106 I CA -1.105 60.257 61.300 0.103 0.000 1.144 106 I CB 1.733 39.829 38.000 0.160 0.000 1.314 106 I HN 0.804 nan 8.210 nan 0.000 0.445 107 R N 6.600 127.141 120.500 0.068 0.000 2.298 107 R HA 0.485 4.829 4.340 0.006 0.000 0.310 107 R C -1.726 174.619 176.300 0.075 0.000 1.068 107 R CA -0.359 55.784 56.100 0.072 0.000 0.957 107 R CB 0.633 30.970 30.300 0.061 0.000 1.003 107 R HN 0.522 nan 8.270 nan 0.000 0.454 108 L N 4.140 125.447 121.223 0.140 0.000 2.362 108 L HA 0.398 4.741 4.340 0.006 0.000 0.275 108 L C -0.534 176.499 176.870 0.272 0.000 0.998 108 L CA -0.529 54.372 54.840 0.101 0.000 0.820 108 L CB 1.808 43.888 42.059 0.035 0.000 1.270 108 L HN 0.673 nan 8.230 nan 0.000 0.415 109 E N 2.107 122.538 120.200 0.386 0.000 2.231 109 E HA 0.463 4.817 4.350 0.006 0.000 0.277 109 E C 0.026 176.789 176.600 0.271 0.000 0.999 109 E CA -0.611 55.958 56.400 0.281 0.000 0.827 109 E CB 0.975 30.815 29.700 0.233 0.000 1.101 109 E HN 0.486 nan 8.360 nan 0.000 0.393 110 K N 0.126 120.637 120.400 0.184 0.000 2.355 110 K HA 0.373 4.697 4.320 0.006 0.000 0.270 110 K C 1.103 177.771 176.600 0.113 0.000 1.003 110 K CA 0.170 56.547 56.287 0.151 0.000 0.957 110 K CB -0.251 32.316 32.500 0.110 0.000 0.939 110 K HN 0.793 nan 8.250 nan 0.000 0.482 111 G N -0.173 108.685 108.800 0.097 0.000 2.179 111 G HA2 -0.244 3.720 3.960 0.006 0.000 0.260 111 G HA3 -0.244 3.720 3.960 0.006 0.000 0.260 111 G C 0.297 175.212 174.900 0.025 0.000 0.977 111 G CA 0.702 45.834 45.100 0.053 0.000 0.641 111 G HN 0.996 nan 8.290 nan 0.000 0.533 112 R N -0.525 119.998 120.500 0.038 0.000 2.778 112 R HA 0.810 5.154 4.340 0.006 0.000 0.277 112 R C -0.468 175.774 176.300 -0.097 0.000 0.977 112 R CA -0.959 55.092 56.100 -0.082 0.000 0.950 112 R CB 0.813 31.014 30.300 -0.164 0.000 1.165 112 R HN 0.136 nan 8.270 nan 0.000 0.474 113 L N 3.809 124.911 121.223 -0.201 0.000 2.313 113 L HA 0.468 4.812 4.340 0.006 0.000 0.283 113 L C -1.285 175.531 176.870 -0.090 0.000 1.013 113 L CA -0.822 53.987 54.840 -0.052 0.000 0.816 113 L CB 1.481 43.479 42.059 -0.102 0.000 1.236 113 L HN 0.632 nan 8.230 nan 0.000 0.419 114 Y N 1.260 121.722 120.300 0.269 0.000 2.364 114 Y HA 0.324 4.877 4.550 0.006 0.000 0.340 114 Y C 0.141 176.144 175.900 0.171 0.000 0.975 114 Y CA -0.742 57.485 58.100 0.213 0.000 1.089 114 Y CB 1.651 40.200 38.460 0.149 0.000 1.192 114 Y HN 0.480 nan 8.280 nan 0.000 0.454 115 Q N 3.401 123.288 119.800 0.146 0.000 2.337 115 Q HA 0.268 4.611 4.340 0.006 0.000 0.270 115 Q C -0.824 175.094 176.000 -0.138 0.000 1.002 115 Q CA -0.005 55.643 55.803 -0.258 0.000 0.888 115 Q CB 0.921 29.478 28.738 -0.302 0.000 1.222 115 Q HN 0.421 nan 8.270 nan 0.000 0.400 116 I N 2.642 123.077 120.570 -0.225 0.000 2.433 116 I HA 0.362 4.536 4.170 0.006 0.000 0.292 116 I C -0.310 175.751 176.117 -0.094 0.000 1.001 116 I CA -0.483 60.739 61.300 -0.130 0.000 1.119 116 I CB 1.586 39.507 38.000 -0.131 0.000 1.289 116 I HN 0.542 nan 8.210 nan 0.000 0.438 117 K N 6.625 127.040 120.400 0.025 0.000 2.443 117 K HA 0.745 5.069 4.320 0.006 0.000 0.252 117 K C -1.648 175.125 176.600 0.289 0.000 0.933 117 K CA -0.387 55.961 56.287 0.103 0.000 0.792 117 K CB 1.977 34.481 32.500 0.007 0.000 1.185 117 K HN 0.520 nan 8.250 nan 0.000 0.425 118 I N 4.298 125.037 120.570 0.281 0.000 2.498 118 I HA 0.264 4.438 4.170 0.006 0.000 0.290 118 I C -0.822 175.524 176.117 0.382 0.000 1.032 118 I CA -0.858 60.650 61.300 0.347 0.000 1.073 118 I CB 2.141 40.340 38.000 0.332 0.000 1.251 118 I HN 0.638 nan 8.210 nan 0.000 0.426 119 Q N 6.083 126.111 119.800 0.381 0.000 2.342 119 Q HA 0.597 4.941 4.340 0.006 0.000 0.267 119 Q C -1.800 174.460 176.000 0.435 0.000 1.038 119 Q CA -0.858 55.146 55.803 0.335 0.000 0.832 119 Q CB 2.884 31.791 28.738 0.281 0.000 1.323 119 Q HN 0.619 nan 8.270 nan 0.000 0.448 120 Y N 0.885 121.366 120.300 0.302 0.000 2.421 120 Y HA 0.425 4.979 4.550 0.006 0.000 0.339 120 Y C -1.772 174.257 175.900 0.214 0.000 0.996 120 Y CA -0.411 57.857 58.100 0.281 0.000 1.046 120 Y CB 2.462 41.088 38.460 0.277 0.000 1.226 120 Y HN 0.814 nan 8.280 nan 0.000 0.445 121 Q N 5.828 125.342 119.800 -0.476 0.000 2.271 121 Q HA 0.503 4.847 4.340 0.006 0.000 0.268 121 Q C -1.571 174.070 176.000 -0.598 0.000 1.021 121 Q CA -1.001 54.506 55.803 -0.494 0.000 0.802 121 Q CB 3.037 31.628 28.738 -0.245 0.000 1.282 121 Q HN 0.736 nan 8.270 nan 0.000 0.431 122 R N 1.734 121.947 120.500 -0.478 0.000 2.531 122 R HA 0.184 4.528 4.340 0.006 0.000 0.293 122 R C -1.117 175.138 176.300 -0.076 0.000 1.124 122 R CA -0.285 55.679 56.100 -0.226 0.000 0.945 122 R CB 1.373 31.596 30.300 -0.127 0.000 1.195 122 R HN 0.546 nan 8.270 nan 0.000 0.433 123 E N 2.842 123.007 120.200 -0.059 0.000 2.376 123 E HA -0.017 4.336 4.350 0.006 0.000 0.266 123 E C -0.492 176.109 176.600 0.002 0.000 1.009 123 E CA 0.409 56.791 56.400 -0.031 0.000 0.902 123 E CB 0.454 30.131 29.700 -0.038 0.000 0.972 123 E HN 0.699 nan 8.360 nan 0.000 0.439 124 N N 2.769 121.470 118.700 0.003 0.000 2.727 124 N HA -0.120 4.623 4.740 0.006 0.000 0.251 124 N C -2.374 173.149 175.510 0.023 0.000 1.040 124 N CA -0.340 52.700 53.050 -0.017 0.000 0.712 124 N CB -0.749 37.717 38.487 -0.035 0.000 0.912 124 N HN 0.370 nan 8.380 nan 0.000 0.545 125 P HA 0.006 nan 4.420 nan 0.000 0.269 125 P C 0.953 178.352 177.300 0.165 0.000 1.209 125 P CA 0.269 63.473 63.100 0.173 0.000 0.776 125 P CB 0.656 32.523 31.700 0.279 0.000 0.876 126 T N -1.945 112.708 114.554 0.165 0.000 3.065 126 T HA 0.072 4.426 4.350 0.006 0.000 0.252 126 T C 0.541 175.394 174.700 0.255 0.000 1.099 126 T CA -0.043 62.152 62.100 0.159 0.000 1.063 126 T CB -0.138 68.787 68.868 0.096 0.000 0.948 126 T HN 0.635 nan 8.240 nan 0.000 0.506 127 E N 0.684 121.030 120.200 0.244 0.000 2.299 127 E HA 0.518 4.872 4.350 0.006 0.000 0.265 127 E C -1.062 175.538 176.600 -0.001 0.000 0.911 127 E CA -1.267 55.221 56.400 0.147 0.000 0.789 127 E CB 1.636 31.384 29.700 0.078 0.000 1.246 127 E HN 0.074 nan 8.360 nan 0.000 0.427 128 K N 0.911 121.146 120.400 -0.275 0.000 2.168 128 K HA 0.463 4.787 4.320 0.006 0.000 0.258 128 K C 0.555 176.961 176.600 -0.325 0.000 1.010 128 K CA 0.159 56.108 56.287 -0.563 0.000 0.929 128 K CB 0.805 32.933 32.500 -0.620 0.000 0.998 128 K HN 0.889 nan 8.250 nan 0.000 0.479 129 G N 0.285 108.789 108.800 -0.493 0.000 2.645 129 G HA2 -0.242 3.721 3.960 0.006 0.000 0.246 129 G HA3 -0.242 3.721 3.960 0.006 0.000 0.246 129 G C -1.469 173.448 174.900 0.028 0.000 1.322 129 G CA -0.267 44.658 45.100 -0.293 0.000 0.898 129 G HN 0.508 nan 8.290 nan 0.000 0.573 130 L N -0.286 121.081 121.223 0.240 0.000 2.470 130 L HA 0.705 5.048 4.340 0.006 0.000 0.268 130 L C -1.337 175.684 176.870 0.253 0.000 0.964 130 L CA -0.710 54.327 54.840 0.328 0.000 0.839 130 L CB 2.176 44.559 42.059 0.539 0.000 1.276 130 L HN 0.749 nan 8.230 nan 0.000 0.403 131 D N 4.234 124.759 120.400 0.209 0.000 2.412 131 D HA 0.384 5.028 4.640 0.006 0.000 0.224 131 D C -1.770 174.647 176.300 0.194 0.000 1.093 131 D CA 0.288 54.386 54.000 0.164 0.000 0.850 131 D CB 0.505 41.373 40.800 0.113 0.000 1.046 131 D HN 0.357 nan 8.370 nan 0.000 0.507 132 F N 2.982 122.926 119.950 -0.010 0.000 2.588 132 F HA 0.395 4.925 4.527 0.006 0.000 0.318 132 F C -1.214 174.464 175.800 -0.203 0.000 1.155 132 F CA -0.653 57.278 58.000 -0.114 0.000 0.967 132 F CB 1.273 40.171 39.000 -0.171 0.000 1.236 132 F HN 0.058 nan 8.300 nan 0.000 0.455 133 K N 5.528 125.652 120.400 -0.460 0.000 2.375 133 K HA 0.677 5.001 4.320 0.006 0.000 0.249 133 K C -1.972 174.228 176.600 -0.667 0.000 0.942 133 K CA -1.213 54.780 56.287 -0.490 0.000 0.806 133 K CB 2.924 35.077 32.500 -0.580 0.000 1.227 133 K HN 0.522 nan 8.250 nan 0.000 0.430 134 L N 2.858 123.751 121.223 -0.549 0.000 2.313 134 L HA 0.480 4.823 4.340 0.006 0.000 0.283 134 L C -1.716 174.906 176.870 -0.413 0.000 1.013 134 L CA -0.138 54.487 54.840 -0.359 0.000 0.816 134 L CB 0.490 42.411 42.059 -0.230 0.000 1.236 134 L HN 0.516 nan 8.230 nan 0.000 0.419 135 Y N 3.312 123.605 120.300 -0.012 0.000 2.598 135 Y HA 0.773 5.326 4.550 0.006 0.000 0.340 135 Y C -0.739 175.274 175.900 0.189 0.000 1.038 135 Y CA -0.316 57.819 58.100 0.059 0.000 1.100 135 Y CB 1.664 40.163 38.460 0.065 0.000 1.281 135 Y HN 0.667 nan 8.280 nan 0.000 0.488 136 W N -0.824 120.578 121.300 0.171 0.000 3.107 136 W HA 0.763 5.426 4.660 0.005 0.000 0.331 136 W C -2.040 174.495 176.519 0.028 0.000 1.204 136 W CA -2.037 55.300 57.345 -0.012 0.000 1.184 136 W CB 0.505 29.822 29.460 -0.237 0.000 1.421 136 W HN 0.371 nan 8.180 nan 0.000 0.544 137 T N 3.126 117.751 114.554 0.120 0.000 2.807 137 T HA 0.390 4.743 4.350 0.006 0.000 0.279 137 T C -0.243 174.345 174.700 -0.185 0.000 0.993 137 T CA -0.325 61.755 62.100 -0.034 0.000 0.970 137 T CB 1.742 70.588 68.868 -0.037 0.000 0.950 137 T HN 0.465 nan 8.240 nan 0.000 0.441 138 D N 0.704 120.930 120.400 -0.289 0.000 2.539 138 D HA 0.261 4.905 4.640 0.006 0.000 0.276 138 D C 1.316 177.405 176.300 -0.352 0.000 1.206 138 D CA -0.730 52.970 54.000 -0.499 0.000 1.081 138 D CB 0.120 40.620 40.800 -0.500 0.000 1.142 138 D HN 0.373 nan 8.370 nan 0.000 0.595 139 S N -1.938 113.543 115.700 -0.365 0.000 2.562 139 S HA -0.087 4.386 4.470 0.006 0.000 0.221 139 S C 1.104 175.604 174.600 -0.167 0.000 0.975 139 S CA 0.071 58.127 58.200 -0.239 0.000 0.918 139 S CB -0.335 62.728 63.200 -0.229 0.000 0.772 139 S HN 0.429 nan 8.310 nan 0.000 0.531 140 Q N 1.319 121.022 119.800 -0.161 0.000 2.322 140 Q HA 0.212 4.556 4.340 0.006 0.000 0.203 140 Q C -0.208 175.735 176.000 -0.095 0.000 0.923 140 Q CA -0.153 55.584 55.803 -0.111 0.000 0.949 140 Q CB -0.270 28.411 28.738 -0.095 0.000 1.039 140 Q HN 0.518 nan 8.270 nan 0.000 0.496 141 N N 1.019 119.653 118.700 -0.109 0.000 2.741 141 N HA -0.188 4.556 4.740 0.006 0.000 0.251 141 N C -0.106 175.365 175.510 -0.065 0.000 1.112 141 N CA 0.897 53.896 53.050 -0.085 0.000 0.750 141 N CB -0.928 37.519 38.487 -0.066 0.000 1.119 141 N HN 0.326 nan 8.380 nan 0.000 0.561 142 K N 1.665 122.023 120.400 -0.071 0.000 2.338 142 K HA 0.123 4.446 4.320 0.006 0.000 0.290 142 K C 0.120 176.712 176.600 -0.014 0.000 1.069 142 K CA -0.028 56.237 56.287 -0.037 0.000 0.941 142 K CB 0.475 32.952 32.500 -0.039 0.000 1.023 142 K HN 0.070 nan 8.250 nan 0.000 0.477 143 K N 4.527 124.937 120.400 0.018 0.000 2.183 143 K HA 0.117 4.441 4.320 0.006 0.000 0.274 143 K C -0.999 175.697 176.600 0.161 0.000 1.009 143 K CA -0.413 55.919 56.287 0.075 0.000 0.888 143 K CB 0.831 33.328 32.500 -0.005 0.000 1.078 143 K HN 0.780 nan 8.250 nan 0.000 0.459 144 E N 1.703 122.094 120.200 0.319 0.000 2.412 144 E HA 0.180 4.534 4.350 0.006 0.000 0.279 144 E C -1.132 175.725 176.600 0.429 0.000 0.984 144 E CA -1.105 55.508 56.400 0.355 0.000 0.788 144 E CB 1.192 31.047 29.700 0.258 0.000 1.277 144 E HN 0.173 nan 8.360 nan 0.000 0.455 145 V N 2.465 122.537 119.914 0.264 0.000 2.644 145 V HA -0.039 4.084 4.120 0.006 0.000 0.305 145 V C 0.742 176.815 176.094 -0.035 0.000 1.053 145 V CA 0.423 62.683 62.300 -0.067 0.000 1.186 145 V CB -0.250 31.485 31.823 -0.146 0.000 0.895 145 V HN 0.539 nan 8.190 nan 0.000 0.490 146 I N 5.093 125.528 120.570 -0.224 0.000 2.668 146 I HA 0.042 4.215 4.170 0.006 0.000 0.285 146 I C 1.089 177.109 176.117 -0.161 0.000 1.168 146 I CA 0.457 61.529 61.300 -0.381 0.000 1.424 146 I CB 0.582 38.134 38.000 -0.748 0.000 1.377 146 I HN 0.865 nan 8.210 nan 0.000 0.560 147 S N 3.745 119.433 115.700 -0.020 0.000 2.603 147 S HA 0.099 4.573 4.470 0.006 0.000 0.268 147 S C 1.285 175.887 174.600 0.003 0.000 1.317 147 S CA -0.213 58.008 58.200 0.034 0.000 1.012 147 S CB 1.549 64.819 63.200 0.117 0.000 0.926 147 S HN 0.751 nan 8.310 nan 0.000 0.539 148 S N 0.783 116.496 115.700 0.022 0.000 2.400 148 S HA -0.157 4.317 4.470 0.006 0.000 0.232 148 S C 0.985 175.611 174.600 0.043 0.000 1.025 148 S CA 1.212 59.428 58.200 0.026 0.000 0.993 148 S CB -0.813 62.409 63.200 0.037 0.000 0.808 148 S HN 0.799 nan 8.310 nan 0.000 0.478 149 D N 2.024 122.460 120.400 0.061 0.000 2.309 149 D HA -0.007 4.636 4.640 0.006 0.000 0.212 149 D C 1.205 177.556 176.300 0.086 0.000 0.968 149 D CA 0.624 54.669 54.000 0.075 0.000 0.882 149 D CB -0.365 40.488 40.800 0.089 0.000 0.918 149 D HN 0.510 nan 8.370 nan 0.000 0.503 150 N N -0.145 118.597 118.700 0.070 0.000 2.254 150 N HA 0.088 4.832 4.740 0.006 0.000 0.190 150 N C 0.238 175.763 175.510 0.024 0.000 1.107 150 N CA 0.097 53.186 53.050 0.064 0.000 0.869 150 N CB 1.474 39.971 38.487 0.018 0.000 0.983 150 N HN 0.189 nan 8.380 nan 0.000 0.487 151 L N 1.100 122.336 121.223 0.022 0.000 2.346 151 L HA 0.427 4.771 4.340 0.006 0.000 0.276 151 L C -0.365 176.564 176.870 0.098 0.000 1.006 151 L CA -0.534 54.327 54.840 0.035 0.000 0.817 151 L CB 2.145 44.196 42.059 -0.014 0.000 1.272 151 L HN -0.199 nan 8.230 nan 0.000 0.421 152 Q N 2.218 122.114 119.800 0.160 0.000 2.423 152 Q HA 0.518 4.861 4.340 0.006 0.000 0.278 152 Q C -1.205 174.963 176.000 0.281 0.000 1.097 152 Q CA -1.066 54.862 55.803 0.209 0.000 0.809 152 Q CB 3.119 31.972 28.738 0.192 0.000 1.391 152 Q HN 0.336 nan 8.270 nan 0.000 0.428 153 L N 2.384 123.794 121.223 0.313 0.000 2.476 153 L HA 0.276 4.620 4.340 0.006 0.000 0.264 153 L C -1.939 175.143 176.870 0.353 0.000 1.224 153 L CA -1.187 53.851 54.840 0.330 0.000 0.821 153 L CB -0.613 41.746 42.059 0.500 0.000 1.101 153 L HN 0.460 nan 8.230 nan 0.000 0.488 154 P HA 0.021 nan 4.420 nan 0.000 0.271 154 P C -0.523 176.779 177.300 0.005 0.000 1.233 154 P CA -0.338 62.842 63.100 0.133 0.000 0.789 154 P CB 0.466 32.129 31.700 -0.062 0.000 0.951 155 E N 1.069 121.333 120.200 0.107 0.000 1.856 155 E HA 0.151 4.505 4.350 0.006 0.000 0.263 155 E C -0.440 176.033 176.600 -0.211 0.000 1.137 155 E CA 0.036 56.419 56.400 -0.029 0.000 1.007 155 E CB -1.495 28.272 29.700 0.112 0.000 1.117 155 E HN 0.288 nan 8.360 nan 0.000 0.438 156 L N 4.721 125.545 121.223 -0.665 0.000 2.533 156 L HA 0.221 4.565 4.340 0.006 0.000 0.239 156 L C 0.279 177.245 176.870 0.160 0.000 1.376 156 L CA -0.085 54.526 54.840 -0.382 0.000 1.240 156 L CB -0.464 41.226 42.059 -0.616 0.000 1.487 156 L HN 0.130 nan 8.230 nan 0.000 0.419 157 K N 0.028 120.501 120.400 0.123 0.000 2.378 157 K HA 0.346 4.670 4.320 0.006 0.000 0.244 157 K C 0.323 176.748 176.600 -0.292 0.000 1.039 157 K CA -0.718 55.586 56.287 0.028 0.000 0.863 157 K CB 1.448 33.970 32.500 0.037 0.000 1.326 157 K HN 0.068 nan 8.250 nan 0.000 0.460 158 Q N 0.484 119.890 119.800 -0.658 0.000 2.435 158 Q HA -0.052 4.292 4.340 0.006 0.000 0.207 158 Q C -0.250 175.591 176.000 -0.264 0.000 0.956 158 Q CA 1.091 56.600 55.803 -0.489 0.000 0.917 158 Q CB 0.199 28.562 28.738 -0.625 0.000 0.997 158 Q HN 0.367 nan 8.270 nan 0.000 0.497 159 K N -1.387 118.883 120.400 -0.216 0.000 2.477 159 K HA 0.561 4.885 4.320 0.006 0.000 0.255 159 K C -0.847 175.703 176.600 -0.085 0.000 0.952 159 K CA -0.769 55.439 56.287 -0.132 0.000 0.826 159 K CB 1.805 34.230 32.500 -0.125 0.000 1.331 159 K HN -0.295 nan 8.250 nan 0.000 0.437 160 S N 0.999 116.664 115.700 -0.059 0.000 2.593 160 S HA 0.168 4.642 4.470 0.006 0.000 0.269 160 S C 0.135 174.712 174.600 -0.039 0.000 1.334 160 S CA -0.593 57.588 58.200 -0.033 0.000 1.015 160 S CB 0.757 63.944 63.200 -0.023 0.000 0.912 160 S HN 0.716 nan 8.310 nan 0.000 0.541 164 R N 1.935 122.330 120.500 -0.175 0.000 2.371 164 R HA 0.556 4.899 4.340 0.006 0.000 0.312 164 R C -0.877 175.449 176.300 0.043 0.000 0.980 164 R CA -0.506 55.456 56.100 -0.230 0.000 0.867 164 R CB 1.631 31.591 30.300 -0.567 0.000 1.163 164 R HN 0.231 nan 8.270 nan 0.000 0.492 165 K N 1.817 122.333 120.400 0.195 0.000 2.118 165 K HA 0.139 4.462 4.320 0.006 0.000 0.240 165 K C -0.196 176.492 176.600 0.146 0.000 1.035 165 K CA -0.403 55.960 56.287 0.128 0.000 0.899 165 K CB 0.539 33.093 32.500 0.090 0.000 1.085 165 K HN 0.228 nan 8.250 nan 0.000 0.498 166 K N 1.170 121.593 120.400 0.038 0.000 2.432 166 K HA 0.426 4.749 4.320 0.006 0.000 0.226 166 K C -0.116 176.445 176.600 -0.065 0.000 1.057 166 K CA -0.551 55.731 56.287 -0.008 0.000 1.034 166 K CB 0.837 33.318 32.500 -0.032 0.000 1.561 166 K HN 0.821 nan 8.250 nan 0.000 0.492 174 T N 0.269 114.590 114.554 -0.387 0.000 2.815 174 T HA 0.344 4.697 4.350 0.006 0.000 0.289 174 T C -0.160 174.346 174.700 -0.324 0.000 1.000 174 T CA -0.620 61.278 62.100 -0.337 0.000 0.958 174 T CB 2.277 70.993 68.868 -0.254 0.000 0.944 174 T HN 0.215 nan 8.240 nan 0.000 0.442 175 V N 6.529 126.218 119.914 -0.375 0.000 2.540 175 V HA 0.227 4.351 4.120 0.006 0.000 0.297 175 V C -2.223 173.719 176.094 -0.253 0.000 1.024 175 V CA -1.518 60.577 62.300 -0.342 0.000 1.105 175 V CB 0.311 31.775 31.823 -0.599 0.000 0.938 175 V HN 0.628 nan 8.190 nan 0.000 0.482 176 P HA 0.265 nan 4.420 nan 0.000 0.266 176 P C -1.014 176.213 177.300 -0.123 0.000 1.215 176 P CA 0.340 63.367 63.100 -0.122 0.000 0.763 176 P CB 0.329 31.984 31.700 -0.075 0.000 0.806 177 D N 2.354 122.684 120.400 -0.117 0.000 2.934 177 D HA 0.103 4.747 4.640 0.006 0.000 0.249 177 D C 0.844 177.105 176.300 -0.065 0.000 1.293 177 D CA -0.341 53.599 54.000 -0.101 0.000 0.812 177 D CB 0.200 40.911 40.800 -0.147 0.000 1.439 177 D HN -0.032 nan 8.370 nan 0.000 0.555 178 R N 0.159 120.635 120.500 -0.041 0.000 2.127 178 R HA -0.078 4.266 4.340 0.006 0.000 0.238 178 R C 0.888 177.188 176.300 0.000 0.000 1.134 178 R CA 1.832 57.917 56.100 -0.025 0.000 0.975 178 R CB 0.083 30.375 30.300 -0.014 0.000 0.865 178 R HN 0.306 nan 8.270 nan 0.000 0.447 179 D N -1.622 118.796 120.400 0.030 0.000 2.349 179 D HA -0.063 4.580 4.640 0.006 0.000 0.214 179 D C 0.038 176.429 176.300 0.152 0.000 1.063 179 D CA -0.214 53.843 54.000 0.094 0.000 0.847 179 D CB -0.423 40.461 40.800 0.140 0.000 0.933 179 D HN 0.125 nan 8.370 nan 0.000 0.513 180 N N 0.655 119.397 118.700 0.069 0.000 2.741 180 N HA -0.209 4.534 4.740 0.006 0.000 0.250 180 N C -0.362 175.244 175.510 0.161 0.000 1.115 180 N CA 0.876 53.963 53.050 0.061 0.000 0.724 180 N CB -0.595 37.914 38.487 0.037 0.000 1.090 180 N HN 0.468 nan 8.380 nan 0.000 0.558 181 D N -1.336 119.138 120.400 0.122 0.000 2.348 181 D HA 0.177 4.820 4.640 0.006 0.000 0.211 181 D C 1.587 177.760 176.300 -0.211 0.000 0.998 181 D CA 1.372 55.382 54.000 0.016 0.000 0.873 181 D CB -0.242 40.458 40.800 -0.167 0.000 0.925 181 D HN 0.485 nan 8.370 nan 0.000 0.524 182 G N 0.121 108.763 108.800 -0.263 0.000 2.232 182 G HA2 -0.225 3.738 3.960 0.006 0.000 0.226 182 G HA3 -0.225 3.738 3.960 0.006 0.000 0.226 182 G C 0.114 174.837 174.900 -0.294 0.000 0.996 182 G CA -0.001 44.816 45.100 -0.472 0.000 0.626 182 G HN 0.382 nan 8.290 nan 0.000 0.509 183 I N 3.071 123.527 120.570 -0.189 0.000 2.325 183 I HA 0.311 4.484 4.170 0.006 0.000 0.291 183 I C -2.003 174.057 176.117 -0.095 0.000 1.019 183 I CA -2.189 59.036 61.300 -0.126 0.000 1.302 183 I CB 1.321 39.182 38.000 -0.231 0.000 1.401 183 I HN -0.124 nan 8.210 nan 0.000 0.485 184 P HA -0.009 nan 4.420 nan 0.000 0.265 184 P C 0.055 177.329 177.300 -0.043 0.000 1.187 184 P CA 0.043 63.111 63.100 -0.053 0.000 0.766 184 P CB 0.594 32.291 31.700 -0.005 0.000 0.820 185 D N 1.056 121.437 120.400 -0.033 0.000 2.154 185 D HA -0.204 4.440 4.640 0.006 0.000 0.190 185 D C 1.900 178.212 176.300 0.020 0.000 1.003 185 D CA 2.377 56.372 54.000 -0.008 0.000 0.849 185 D CB -0.778 40.017 40.800 -0.008 0.000 0.942 185 D HN 0.445 nan 8.370 nan 0.000 0.446 186 S N -0.036 115.683 115.700 0.031 0.000 2.382 186 S HA -0.096 4.378 4.470 0.006 0.000 0.228 186 S C 2.263 176.914 174.600 0.086 0.000 1.027 186 S CA 0.615 58.851 58.200 0.059 0.000 0.991 186 S CB -0.667 62.575 63.200 0.070 0.000 0.823 186 S HN 0.263 nan 8.310 nan 0.000 0.469 187 L N 1.268 122.533 121.223 0.070 0.000 2.056 187 L HA -0.036 4.308 4.340 0.006 0.000 0.207 187 L C 3.007 179.991 176.870 0.189 0.000 1.078 187 L CA 1.563 56.469 54.840 0.110 0.000 0.749 187 L CB -0.648 41.415 42.059 0.007 0.000 0.901 187 L HN 0.383 nan 8.230 nan 0.000 0.433 188 E N -0.272 119.971 120.200 0.071 0.000 2.118 188 E HA -0.195 4.158 4.350 0.006 0.000 0.195 188 E C 2.257 178.987 176.600 0.218 0.000 0.992 188 E CA 1.313 57.828 56.400 0.191 0.000 0.804 188 E CB -0.057 29.688 29.700 0.076 0.000 0.741 188 E HN 0.305 nan 8.360 nan 0.000 0.458 189 V N 1.236 121.232 119.914 0.137 0.000 2.346 189 V HA -0.189 3.935 4.120 0.006 0.000 0.244 189 V C 1.850 178.010 176.094 0.110 0.000 1.037 189 V CA 1.729 64.091 62.300 0.103 0.000 1.029 189 V CB -0.261 31.604 31.823 0.071 0.000 0.663 189 V HN 0.195 nan 8.190 nan 0.000 0.454 190 E N -0.307 119.974 120.200 0.136 0.000 2.318 190 E HA 0.356 4.710 4.350 0.006 0.000 0.193 190 E C 0.898 177.589 176.600 0.152 0.000 0.998 190 E CA 0.601 57.080 56.400 0.131 0.000 0.859 190 E CB 0.439 30.220 29.700 0.134 0.000 0.812 190 E HN 0.596 nan 8.360 nan 0.000 0.492 191 G N 0.809 109.739 108.800 0.217 0.000 2.841 191 G HA2 -0.019 3.944 3.960 0.006 0.000 0.684 191 G HA3 -0.019 3.944 3.960 0.006 0.000 0.684 191 G C -1.171 173.960 174.900 0.384 0.000 1.273 191 G CA -0.614 44.600 45.100 0.190 0.000 0.811 191 G HN 0.148 nan 8.290 nan 0.000 0.631 192 Y N -1.580 118.857 120.300 0.229 0.000 2.644 192 Y HA 0.910 5.463 4.550 0.006 0.000 0.338 192 Y C -0.032 176.101 175.900 0.387 0.000 1.119 192 Y CA -0.998 57.279 58.100 0.293 0.000 1.060 192 Y CB 1.452 40.049 38.460 0.228 0.000 1.294 192 Y HN 0.903 nan 8.280 nan 0.000 0.472 193 T N 1.200 116.057 114.554 0.504 0.000 2.916 193 T HA 0.729 5.082 4.350 0.006 0.000 0.292 193 T C -1.639 173.317 174.700 0.427 0.000 1.055 193 T CA -0.493 61.861 62.100 0.424 0.000 1.009 193 T CB 1.274 70.353 68.868 0.352 0.000 1.118 193 T HN 1.252 nan 8.240 nan 0.000 0.497 194 V N 1.401 121.545 119.914 0.383 0.000 2.656 194 V HA 0.773 4.896 4.120 0.006 0.000 0.307 194 V C -0.953 175.250 176.094 0.181 0.000 1.051 194 V CA -0.795 61.669 62.300 0.273 0.000 0.893 194 V CB 1.888 33.841 31.823 0.217 0.000 0.999 194 V HN 0.916 nan 8.190 nan 0.000 0.426 195 D N 2.502 122.976 120.400 0.125 0.000 2.738 195 D HA 0.531 5.174 4.640 0.006 0.000 0.237 195 D C -1.270 175.007 176.300 -0.038 0.000 1.123 195 D CA -0.320 53.701 54.000 0.036 0.000 0.856 195 D CB 2.915 43.722 40.800 0.012 0.000 1.552 195 D HN 0.519 nan 8.370 nan 0.000 0.480 196 V N 3.932 123.802 119.914 -0.072 0.000 2.432 196 V HA 0.316 4.440 4.120 0.006 0.000 0.275 196 V C 0.228 176.199 176.094 -0.205 0.000 1.043 196 V CA -0.343 61.888 62.300 -0.115 0.000 0.925 196 V CB 1.264 33.045 31.823 -0.069 0.000 0.985 196 V HN 0.328 nan 8.190 nan 0.000 0.466 197 K N 4.401 124.608 120.400 -0.321 0.000 2.575 197 K HA 0.517 4.841 4.320 0.006 0.000 0.236 197 K C 0.838 177.290 176.600 -0.247 0.000 0.976 197 K CA 0.560 56.602 56.287 -0.408 0.000 0.985 197 K CB 0.965 32.904 32.500 -0.934 0.000 1.198 197 K HN 0.945 nan 8.250 nan 0.000 0.464 198 N N 1.498 120.110 118.700 -0.147 0.000 3.371 198 N HA -0.374 4.370 4.740 0.006 0.000 0.225 198 N C 0.813 176.291 175.510 -0.054 0.000 0.158 198 N CA 2.542 55.544 53.050 -0.080 0.000 3.732 198 N CB -1.128 37.323 38.487 -0.059 0.000 1.091 198 N HN 0.484 nan 8.380 nan 0.000 0.250 199 K N 0.350 120.723 120.400 -0.045 0.000 2.614 199 K HA 0.460 4.783 4.320 0.006 0.000 0.190 199 K C 0.011 176.613 176.600 0.003 0.000 1.255 199 K CA 0.799 57.078 56.287 -0.013 0.000 1.099 199 K CB -0.581 31.923 32.500 0.006 0.000 1.023 199 K HN 1.699 nan 8.250 nan 0.000 0.576 200 R N -1.413 119.080 120.500 -0.011 0.000 2.747 200 R HA 0.577 4.921 4.340 0.006 0.000 0.272 200 R C -1.306 175.000 176.300 0.011 0.000 1.032 200 R CA -0.694 55.426 56.100 0.034 0.000 0.896 200 R CB 1.089 31.461 30.300 0.120 0.000 1.253 200 R HN -0.052 nan 8.270 nan 0.000 0.461 201 T N 1.633 116.234 114.554 0.078 0.000 2.771 201 T HA 0.506 4.860 4.350 0.006 0.000 0.281 201 T C -1.226 173.658 174.700 0.307 0.000 0.982 201 T CA -0.279 61.873 62.100 0.087 0.000 0.978 201 T CB 0.323 69.190 68.868 -0.003 0.000 0.930 201 T HN 0.194 nan 8.240 nan 0.000 0.447 202 F N 3.173 123.118 119.950 -0.008 0.000 2.410 202 F HA 0.492 5.022 4.527 0.006 0.000 0.349 202 F C 0.181 176.002 175.800 0.035 0.000 1.117 202 F CA -1.884 56.114 58.000 -0.004 0.000 1.104 202 F CB 0.877 39.870 39.000 -0.011 0.000 1.122 202 F HN 0.315 nan 8.300 nan 0.000 0.483 203 L N 3.299 124.634 121.223 0.187 0.000 2.282 203 L HA 0.612 4.955 4.340 0.006 0.000 0.288 203 L C -0.505 176.447 176.870 0.138 0.000 1.033 203 L CA 0.244 55.194 54.840 0.184 0.000 0.807 203 L CB 0.843 42.984 42.059 0.136 0.000 1.209 203 L HN 0.565 nan 8.230 nan 0.000 0.423 204 S N 4.930 120.757 115.700 0.213 0.000 2.595 204 S HA 0.591 5.064 4.470 0.006 0.000 0.281 204 S C -2.776 171.969 174.600 0.242 0.000 1.117 204 S CA -1.000 57.302 58.200 0.170 0.000 0.873 204 S CB 2.186 65.481 63.200 0.157 0.000 1.108 204 S HN 0.493 nan 8.310 nan 0.000 0.477 205 P HA -0.007 nan 4.420 nan 0.000 0.267 205 P C -0.733 176.722 177.300 0.258 0.000 1.200 205 P CA -0.285 62.961 63.100 0.244 0.000 0.772 205 P CB 0.470 32.275 31.700 0.176 0.000 0.855 206 W N 5.065 126.436 121.300 0.119 0.000 2.287 206 W HA 0.345 5.008 4.660 0.006 0.000 0.313 206 W C -1.122 175.433 176.519 0.059 0.000 1.267 206 W CA -0.139 57.249 57.345 0.073 0.000 1.201 206 W CB 0.303 29.789 29.460 0.042 0.000 1.196 206 W HN 0.274 nan 8.180 nan 0.000 0.536 217 T N 1.288 115.817 114.554 -0.041 0.000 2.832 217 T HA 0.150 4.503 4.350 0.006 0.000 0.296 217 T C -0.015 174.374 174.700 -0.518 0.000 0.968 217 T CA -0.153 61.740 62.100 -0.345 0.000 1.107 217 T CB 1.003 69.503 68.868 -0.614 0.000 0.916 217 T HN 0.356 nan 8.240 nan 0.000 0.517 218 K N 3.656 123.618 120.400 -0.730 0.000 2.263 218 K HA 0.217 4.541 4.320 0.006 0.000 0.282 218 K C -1.145 174.993 176.600 -0.770 0.000 1.089 218 K CA -0.435 55.272 56.287 -0.967 0.000 0.907 218 K CB 0.221 31.694 32.500 -1.712 0.000 1.148 218 K HN 0.506 nan 8.250 nan 0.000 0.470 219 Y N 2.857 122.842 120.300 -0.526 0.000 2.310 219 Y HA 0.336 4.890 4.550 0.006 0.000 0.326 219 Y C 0.197 175.708 175.900 -0.648 0.000 1.151 219 Y CA -0.316 57.372 58.100 -0.686 0.000 1.195 219 Y CB 1.338 39.122 38.460 -1.125 0.000 1.210 219 Y HN 0.361 nan 8.280 nan 0.000 0.483 220 K N 1.210 121.510 120.400 -0.166 0.000 2.482 220 K HA 0.810 5.134 4.320 0.006 0.000 0.257 220 K C -1.218 175.463 176.600 0.135 0.000 0.969 220 K CA -0.943 55.364 56.287 0.033 0.000 0.842 220 K CB 2.472 34.974 32.500 0.004 0.000 1.359 220 K HN 0.745 nan 8.250 nan 0.000 0.441 221 S N -0.900 114.932 115.700 0.221 0.000 2.588 221 S HA 0.288 4.762 4.470 0.006 0.000 0.269 221 S C -1.045 173.630 174.600 0.127 0.000 1.157 221 S CA -0.956 57.347 58.200 0.173 0.000 0.824 221 S CB 1.509 64.845 63.200 0.227 0.000 1.126 221 S HN 0.408 nan 8.310 nan 0.000 0.464 222 S N 2.106 117.859 115.700 0.089 0.000 2.528 222 S HA 0.383 4.857 4.470 0.006 0.000 0.277 222 S C -1.479 173.159 174.600 0.064 0.000 1.297 222 S CA -1.517 56.724 58.200 0.069 0.000 1.052 222 S CB 0.421 63.657 63.200 0.060 0.000 0.917 222 S HN 0.591 nan 8.310 nan 0.000 0.492 223 P HA 0.046 nan 4.420 nan 0.000 0.237 223 P C 0.169 177.490 177.300 0.035 0.000 1.178 223 P CA 0.717 63.837 63.100 0.034 0.000 0.766 223 P CB 0.124 31.840 31.700 0.025 0.000 0.876 224 E N -0.503 119.724 120.200 0.045 0.000 2.526 224 E HA 0.143 4.497 4.350 0.006 0.000 0.208 224 E C 0.103 176.749 176.600 0.076 0.000 0.997 224 E CA -0.048 56.381 56.400 0.049 0.000 0.961 224 E CB 0.438 30.157 29.700 0.033 0.000 1.030 224 E HN 0.264 nan 8.360 nan 0.000 0.483 225 K N 0.449 120.905 120.400 0.094 0.000 2.425 225 K HA 0.095 4.419 4.320 0.006 0.000 0.259 225 K C -0.459 176.251 176.600 0.183 0.000 0.978 225 K CA -0.528 55.839 56.287 0.133 0.000 0.883 225 K CB 1.275 33.838 32.500 0.104 0.000 1.110 225 K HN 0.055 nan 8.250 nan 0.000 0.436 226 W N 3.289 124.606 121.300 0.028 0.000 2.321 226 W HA -0.163 4.500 4.660 0.005 0.000 0.306 226 W C 0.653 177.215 176.519 0.071 0.000 1.217 226 W CA 1.384 58.754 57.345 0.042 0.000 1.257 226 W CB 0.368 29.848 29.460 0.033 0.000 1.145 226 W HN 0.371 nan 8.180 nan 0.000 0.509 227 S N -0.257 115.590 115.700 0.245 0.000 2.566 227 S HA 0.251 4.725 4.470 0.006 0.000 0.324 227 S C 0.692 175.356 174.600 0.107 0.000 1.081 227 S CA -0.229 58.015 58.200 0.073 0.000 1.105 227 S CB 1.211 64.518 63.200 0.178 0.000 0.981 227 S HN 0.084 nan 8.310 nan 0.000 0.464 228 T N 4.077 118.669 114.554 0.064 0.000 2.881 228 T HA -0.033 4.320 4.350 0.006 0.000 0.270 228 T C 1.704 176.448 174.700 0.074 0.000 1.068 228 T CA 1.421 63.564 62.100 0.072 0.000 1.131 228 T CB -0.134 68.773 68.868 0.066 0.000 0.871 228 T HN 0.726 nan 8.240 nan 0.000 0.479 229 A N 0.530 123.400 122.820 0.083 0.000 2.251 229 A HA 0.413 4.737 4.320 0.006 0.000 0.209 229 A C 1.322 178.961 177.584 0.092 0.000 1.187 229 A CA 0.415 52.505 52.037 0.088 0.000 0.823 229 A CB -0.280 18.788 19.000 0.113 0.000 0.846 229 A HN 0.270 nan 8.150 nan 0.000 0.486 230 S N 0.287 116.050 115.700 0.105 0.000 3.561 230 S HA -0.172 4.302 4.470 0.006 0.000 0.318 230 S C 0.004 174.676 174.600 0.120 0.000 1.181 230 S CA 1.049 59.313 58.200 0.107 0.000 0.916 230 S CB -1.818 61.423 63.200 0.067 0.000 0.966 230 S HN 1.045 nan 8.310 nan 0.000 0.550 231 D N 0.230 120.721 120.400 0.151 0.000 2.549 231 D HA 0.574 5.218 4.640 0.006 0.000 0.270 231 D C -1.773 174.572 176.300 0.076 0.000 1.181 231 D CA -1.899 52.194 54.000 0.155 0.000 1.070 231 D CB 0.299 41.263 40.800 0.273 0.000 1.154 231 D HN 0.113 nan 8.370 nan 0.000 0.602 232 P HA 0.111 nan 4.420 nan 0.000 0.257 232 P C -0.954 176.230 177.300 -0.194 0.000 1.281 232 P CA 0.119 63.051 63.100 -0.279 0.000 0.826 232 P CB -0.266 31.001 31.700 -0.721 0.000 1.237 233 Y N -0.004 120.404 120.300 0.179 0.000 2.364 233 Y HA 0.393 4.946 4.550 0.005 0.000 0.340 233 Y C 1.247 176.910 175.900 -0.394 0.000 0.975 233 Y CA -1.338 56.755 58.100 -0.011 0.000 1.089 233 Y CB 1.153 39.617 38.460 0.007 0.000 1.192 233 Y HN -0.184 nan 8.280 nan 0.000 0.454 234 S N 0.715 115.967 115.700 -0.747 0.000 2.600 234 S HA 0.081 4.555 4.470 0.006 0.000 0.265 234 S C 0.622 174.952 174.600 -0.449 0.000 1.325 234 S CA -0.483 56.996 58.200 -1.201 0.000 1.002 234 S CB 0.812 63.024 63.200 -1.646 0.000 0.921 234 S HN 0.674 nan 8.310 nan 0.000 0.554 235 D N 0.613 120.799 120.400 -0.356 0.000 2.149 235 D HA -0.091 4.552 4.640 0.006 0.000 0.198 235 D C 1.335 177.585 176.300 -0.083 0.000 0.990 235 D CA 1.277 55.194 54.000 -0.138 0.000 0.839 235 D CB -0.373 40.395 40.800 -0.053 0.000 0.948 235 D HN 0.649 nan 8.370 nan 0.000 0.460 236 F N 1.688 121.497 119.950 -0.235 0.000 2.163 236 F HA -0.058 4.473 4.527 0.006 0.000 0.297 236 F C 2.183 177.888 175.800 -0.158 0.000 1.094 236 F CA 1.164 59.066 58.000 -0.164 0.000 1.290 236 F CB -0.044 38.887 39.000 -0.114 0.000 1.017 236 F HN -0.146 nan 8.300 nan 0.000 0.483 237 E N 0.350 120.474 120.200 -0.127 0.000 2.058 237 E HA -0.257 4.097 4.350 0.006 0.000 0.194 237 E C 2.164 178.577 176.600 -0.312 0.000 0.997 237 E CA 1.694 57.931 56.400 -0.272 0.000 0.801 237 E CB -0.174 29.439 29.700 -0.145 0.000 0.746 237 E HN 0.420 nan 8.360 nan 0.000 0.450 238 K N 0.288 120.548 120.400 -0.232 0.000 2.009 238 K HA -0.155 4.168 4.320 0.006 0.000 0.210 238 K C 2.325 178.768 176.600 -0.262 0.000 1.049 238 K CA 1.830 57.986 56.287 -0.217 0.000 0.929 238 K CB -0.223 32.182 32.500 -0.158 0.000 0.714 238 K HN 0.163 nan 8.250 nan 0.000 0.440 239 V N -1.044 118.683 119.914 -0.312 0.000 3.129 239 V HA -0.045 4.079 4.120 0.006 0.000 0.259 239 V C 1.731 177.652 176.094 -0.289 0.000 1.116 239 V CA 1.670 63.769 62.300 -0.335 0.000 1.127 239 V CB -0.521 31.057 31.823 -0.408 0.000 0.742 239 V HN 0.359 nan 8.190 nan 0.000 0.474 240 T N -3.496 110.808 114.554 -0.416 0.000 3.069 240 T HA 0.462 4.816 4.350 0.006 0.000 0.252 240 T C 1.593 176.099 174.700 -0.322 0.000 1.053 240 T CA 0.653 62.500 62.100 -0.423 0.000 0.964 240 T CB 0.239 68.664 68.868 -0.739 0.000 1.005 240 T HN 1.502 nan 8.240 nan 0.000 0.532 241 G N 2.354 110.983 108.800 -0.285 0.000 2.148 241 G HA2 -0.291 3.673 3.960 0.006 0.000 0.254 241 G HA3 -0.291 3.673 3.960 0.006 0.000 0.254 241 G C 0.330 175.076 174.900 -0.256 0.000 0.981 241 G CA -0.095 44.875 45.100 -0.217 0.000 0.670 241 G HN 0.602 nan 8.290 nan 0.000 0.528 242 R N -0.080 120.161 120.500 -0.432 0.000 4.496 242 R HA 0.613 4.957 4.340 0.006 0.000 0.211 242 R C 0.125 176.146 176.300 -0.465 0.000 1.738 242 R CA 0.171 55.828 56.100 -0.739 0.000 1.528 242 R CB 0.013 29.479 30.300 -1.390 0.000 1.414 242 R HN 0.525 nan 8.270 nan 0.000 0.812 243 I N -0.506 119.961 120.570 -0.171 0.000 2.842 243 I HA 0.075 4.248 4.170 0.006 0.000 0.297 243 I C -1.145 174.937 176.117 -0.058 0.000 1.380 243 I CA -0.969 60.261 61.300 -0.116 0.000 1.018 243 I CB 2.259 40.110 38.000 -0.249 0.000 1.311 243 I HN 0.141 nan 8.210 nan 0.000 0.439 244 D N 5.449 125.830 120.400 -0.032 0.000 2.662 244 D HA -0.034 4.610 4.640 0.006 0.000 0.233 244 D C 0.957 177.246 176.300 -0.018 0.000 1.129 244 D CA 1.091 55.110 54.000 0.031 0.000 0.851 244 D CB 1.494 42.365 40.800 0.119 0.000 1.152 244 D HN 0.690 nan 8.370 nan 0.000 0.507 245 K N 3.488 123.899 120.400 0.018 0.000 2.442 245 K HA -0.166 4.158 4.320 0.006 0.000 0.198 245 K C 1.690 178.287 176.600 -0.006 0.000 1.044 245 K CA 1.529 57.814 56.287 -0.004 0.000 0.948 245 K CB -0.815 31.693 32.500 0.014 0.000 0.762 245 K HN 0.691 nan 8.250 nan 0.000 0.472 246 N N -0.319 118.393 118.700 0.020 0.000 2.412 246 N HA 0.090 4.834 4.740 0.006 0.000 0.184 246 N C -0.199 175.296 175.510 -0.025 0.000 1.101 246 N CA -0.086 52.967 53.050 0.005 0.000 0.881 246 N CB 0.487 38.988 38.487 0.024 0.000 0.969 246 N HN 0.203 nan 8.380 nan 0.000 0.459 247 V N 1.543 121.424 119.914 -0.055 0.000 2.655 247 V HA 0.003 4.127 4.120 0.006 0.000 0.300 247 V C 0.568 176.613 176.094 -0.081 0.000 1.044 247 V CA -0.176 62.068 62.300 -0.093 0.000 1.095 247 V CB 1.116 32.791 31.823 -0.245 0.000 0.952 247 V HN 0.198 nan 8.190 nan 0.000 0.485 248 S N 7.874 123.531 115.700 -0.073 0.000 2.563 248 S HA 0.052 4.525 4.470 0.006 0.000 0.284 248 S C -1.062 173.505 174.600 -0.056 0.000 1.331 248 S CA -0.523 57.638 58.200 -0.065 0.000 1.047 248 S CB 0.619 63.773 63.200 -0.077 0.000 0.859 248 S HN 0.756 nan 8.310 nan 0.000 0.514 249 P HA -0.202 nan 4.420 nan 0.000 0.215 249 P C 1.399 178.687 177.300 -0.021 0.000 1.153 249 P CA 1.220 64.302 63.100 -0.028 0.000 0.853 249 P CB -0.006 31.685 31.700 -0.014 0.000 0.788 250 E N 0.583 120.767 120.200 -0.027 0.000 2.268 250 E HA -0.093 4.261 4.350 0.006 0.000 0.195 250 E C 1.636 178.224 176.600 -0.020 0.000 0.995 250 E CA 1.264 57.649 56.400 -0.026 0.000 0.836 250 E CB -0.952 28.712 29.700 -0.060 0.000 0.763 250 E HN 0.175 nan 8.360 nan 0.000 0.491 251 A N 1.359 124.163 122.820 -0.027 0.000 2.278 251 A HA 0.075 4.399 4.320 0.006 0.000 0.212 251 A C 0.937 178.509 177.584 -0.019 0.000 1.213 251 A CA -0.298 51.738 52.037 -0.003 0.000 0.840 251 A CB -0.092 18.915 19.000 0.011 0.000 0.866 251 A HN -0.045 nan 8.150 nan 0.000 0.489 255 L N -0.165 121.094 121.223 0.060 0.000 2.592 255 L HA 0.259 4.603 4.340 0.006 0.000 0.227 255 L C -0.006 176.893 176.870 0.049 0.000 1.127 255 L CA 0.232 55.103 54.840 0.051 0.000 0.884 255 L CB 0.504 42.585 42.059 0.037 0.000 1.065 255 L HN -0.172 nan 8.230 nan 0.000 0.457 256 V N 0.661 120.607 119.914 0.055 0.000 2.417 256 V HA 0.516 4.640 4.120 0.006 0.000 0.291 256 V C 0.496 176.654 176.094 0.107 0.000 1.024 256 V CA -0.887 61.446 62.300 0.055 0.000 0.861 256 V CB 1.492 33.323 31.823 0.013 0.000 0.985 256 V HN 0.171 nan 8.190 nan 0.000 0.436 257 A N 3.987 126.903 122.820 0.161 0.000 2.425 257 A HA 0.715 5.038 4.320 0.006 0.000 0.249 257 A C 0.497 178.297 177.584 0.360 0.000 1.084 257 A CA 0.153 52.354 52.037 0.273 0.000 0.781 257 A CB 0.444 19.608 19.000 0.273 0.000 1.019 257 A HN 1.381 nan 8.150 nan 0.000 0.490 258 A N 2.662 125.740 122.820 0.429 0.000 2.273 258 A HA 0.692 5.015 4.320 0.006 0.000 0.320 258 A C -0.685 177.253 177.584 0.589 0.000 1.358 258 A CA -0.447 51.843 52.037 0.422 0.000 0.910 258 A CB -0.177 19.152 19.000 0.550 0.000 1.159 258 A HN 1.653 nan 8.150 nan 0.000 0.526 259 Y N 0.207 120.560 120.300 0.088 0.000 2.592 259 Y HA 0.745 5.299 4.550 0.006 0.000 0.334 259 Y C -3.551 172.095 175.900 -0.423 0.000 1.136 259 Y CA -3.310 54.663 58.100 -0.212 0.000 1.042 259 Y CB 0.566 39.022 38.460 -0.007 0.000 1.325 259 Y HN 0.335 nan 8.280 nan 0.000 0.457 260 P HA 0.449 nan 4.420 nan 0.000 0.274 260 P C -0.860 176.053 177.300 -0.646 0.000 1.231 260 P CA 0.039 62.622 63.100 -0.861 0.000 0.790 260 P CB 1.023 31.920 31.700 -1.339 0.000 0.951 261 I N 1.583 121.847 120.570 -0.510 0.000 2.497 261 I HA 0.303 4.477 4.170 0.006 0.000 0.284 261 I C -0.411 175.583 176.117 -0.204 0.000 1.060 261 I CA -0.713 60.447 61.300 -0.233 0.000 1.071 261 I CB 1.822 39.718 38.000 -0.172 0.000 1.216 261 I HN 0.018 nan 8.210 nan 0.000 0.442 265 D N 3.743 124.120 120.400 -0.038 0.000 2.329 265 D HA 0.578 5.222 4.640 0.006 0.000 0.232 265 D C -0.222 176.070 176.300 -0.013 0.000 1.088 265 D CA -0.343 53.666 54.000 0.014 0.000 0.835 265 D CB 1.402 42.264 40.800 0.104 0.000 1.078 265 D HN 0.615 nan 8.370 nan 0.000 0.495 266 M N 3.700 123.292 119.600 -0.013 0.000 2.157 266 M HA 0.265 4.749 4.480 0.006 0.000 0.354 266 M C 0.166 176.462 176.300 -0.006 0.000 1.170 266 M CA -0.052 55.238 55.300 -0.016 0.000 1.060 266 M CB 1.116 33.708 32.600 -0.012 0.000 1.615 266 M HN 0.483 nan 8.290 nan 0.000 0.460 267 E N 2.440 122.632 120.200 -0.012 0.000 2.251 267 E HA 0.073 4.427 4.350 0.006 0.000 0.194 267 E C -0.706 175.887 176.600 -0.013 0.000 0.964 267 E CA 0.379 56.771 56.400 -0.015 0.000 0.868 267 E CB 0.455 30.139 29.700 -0.026 0.000 0.828 267 E HN 0.840 nan 8.360 nan 0.000 0.481 268 N N -0.275 118.417 118.700 -0.013 0.000 3.046 268 N HA 0.380 5.124 4.740 0.006 0.000 0.243 268 N C -1.576 173.926 175.510 -0.014 0.000 1.452 268 N CA -0.711 52.331 53.050 -0.013 0.000 0.882 268 N CB 1.414 39.890 38.487 -0.019 0.000 1.425 268 N HN -0.024 nan 8.380 nan 0.000 0.517 269 I N -0.417 120.141 120.570 -0.020 0.000 2.865 269 I HA 0.665 4.838 4.170 0.006 0.000 0.302 269 I C -1.565 174.525 176.117 -0.046 0.000 1.140 269 I CA -1.218 60.068 61.300 -0.023 0.000 1.021 269 I CB 1.999 39.992 38.000 -0.011 0.000 1.233 269 I HN 0.738 nan 8.210 nan 0.000 0.427 270 I N 6.785 127.330 120.570 -0.043 0.000 2.534 270 I HA 0.431 4.605 4.170 0.006 0.000 0.288 270 I C -1.909 174.180 176.117 -0.047 0.000 1.077 270 I CA -0.623 60.642 61.300 -0.058 0.000 1.051 270 I CB 1.489 39.464 38.000 -0.041 0.000 1.234 270 I HN 0.346 nan 8.210 nan 0.000 0.425 271 L N 6.544 127.722 121.223 -0.075 0.000 2.325 271 L HA 0.697 5.041 4.340 0.006 0.000 0.278 271 L C -0.185 176.671 176.870 -0.023 0.000 1.023 271 L CA -0.348 54.478 54.840 -0.023 0.000 0.811 271 L CB 1.571 43.618 42.059 -0.020 0.000 1.249 271 L HN 0.760 nan 8.230 nan 0.000 0.431 272 S N 1.185 116.878 115.700 -0.012 0.000 2.570 272 S HA 0.538 5.012 4.470 0.006 0.000 0.270 272 S C -0.819 173.741 174.600 -0.066 0.000 1.149 272 S CA -1.044 57.135 58.200 -0.035 0.000 0.837 272 S CB 1.993 65.177 63.200 -0.026 0.000 1.124 272 S HN 0.475 nan 8.310 nan 0.000 0.465 273 K N 1.174 121.528 120.400 -0.077 0.000 2.379 273 K HA 0.169 4.493 4.320 0.006 0.000 0.284 273 K C -0.492 176.075 176.600 -0.055 0.000 1.044 273 K CA -0.351 55.879 56.287 -0.095 0.000 0.974 273 K CB 0.209 32.665 32.500 -0.074 0.000 0.962 273 K HN 0.558 nan 8.250 nan 0.000 0.474 274 N N 3.336 122.005 118.700 -0.052 0.000 2.492 274 N HA -0.007 4.736 4.740 0.006 0.000 0.262 274 N C -0.748 174.751 175.510 -0.018 0.000 1.202 274 N CA 0.089 53.124 53.050 -0.025 0.000 0.926 274 N CB 0.776 39.253 38.487 -0.017 0.000 1.078 274 N HN 0.536 nan 8.380 nan 0.000 0.454 275 E N 0.826 121.020 120.200 -0.008 0.000 2.437 275 E HA 0.022 4.375 4.350 0.006 0.000 0.263 275 E C -0.060 176.538 176.600 -0.004 0.000 1.030 275 E CA 0.452 56.849 56.400 -0.005 0.000 0.934 275 E CB 0.473 30.174 29.700 0.001 0.000 0.943 275 E HN 0.470 nan 8.360 nan 0.000 0.444 276 D N 1.042 121.440 120.400 -0.004 0.000 2.732 276 D HA -0.005 4.638 4.640 0.006 0.000 0.229 276 D C 0.422 176.721 176.300 -0.002 0.000 1.152 276 D CA -0.631 53.367 54.000 -0.003 0.000 0.854 276 D CB 1.072 41.869 40.800 -0.006 0.000 1.590 276 D HN 0.549 nan 8.370 nan 0.000 0.468 277 Q N 0.750 120.550 119.800 -0.001 0.000 2.217 277 Q HA -0.169 4.175 4.340 0.006 0.000 0.209 277 Q C 1.209 177.208 176.000 -0.002 0.000 0.988 277 Q CA 1.572 57.375 55.803 -0.001 0.000 0.878 277 Q CB -0.448 28.289 28.738 -0.001 0.000 0.909 277 Q HN 0.328 nan 8.270 nan 0.000 0.424 278 S N 0.584 116.281 115.700 -0.004 0.000 2.428 278 S HA -0.014 4.460 4.470 0.006 0.000 0.230 278 S C 0.511 175.109 174.600 -0.004 0.000 1.014 278 S CA 0.896 59.093 58.200 -0.004 0.000 0.957 278 S CB 0.078 63.274 63.200 -0.006 0.000 0.784 278 S HN 0.474 nan 8.310 nan 0.000 0.499 279 T N 2.138 116.690 114.554 -0.004 0.000 2.794 279 T HA 0.438 4.792 4.350 0.006 0.000 0.304 279 T C 1.137 175.836 174.700 -0.002 0.000 0.973 279 T CA -0.087 62.011 62.100 -0.003 0.000 0.972 279 T CB 1.347 70.212 68.868 -0.004 0.000 0.952 279 T HN 0.385 nan 8.240 nan 0.000 0.509 280 Q N 3.283 123.083 119.800 -0.001 0.000 2.172 280 Q HA -0.010 4.334 4.340 0.006 0.000 0.200 280 Q C 0.954 176.954 176.000 0.001 0.000 0.964 280 Q CA 1.399 57.202 55.803 -0.000 0.000 0.855 280 Q CB -0.703 28.035 28.738 -0.000 0.000 0.918 280 Q HN 0.875 nan 8.270 nan 0.000 0.444 281 N N -0.398 118.303 118.700 0.001 0.000 2.479 281 N HA 0.291 5.035 4.740 0.006 0.000 0.285 281 N C 0.242 175.753 175.510 0.002 0.000 1.075 281 N CA 0.394 53.445 53.050 0.001 0.000 0.967 281 N CB 1.775 40.263 38.487 0.001 0.000 1.137 281 N HN 0.090 nan 8.380 nan 0.000 0.472 282 T N -2.141 112.415 114.554 0.003 0.000 3.145 282 T HA 0.220 4.574 4.350 0.006 0.000 0.281 282 T C -0.265 174.437 174.700 0.003 0.000 1.003 282 T CA -0.401 61.701 62.100 0.003 0.000 0.901 282 T CB -0.006 68.865 68.868 0.005 0.000 1.112 282 T HN 0.457 nan 8.240 nan 0.000 0.535 283 D N 2.528 122.930 120.400 0.003 0.000 2.342 283 D HA 0.136 4.780 4.640 0.006 0.000 0.221 283 D C 1.025 177.326 176.300 0.003 0.000 1.101 283 D CA 0.040 54.042 54.000 0.003 0.000 0.837 283 D CB 0.372 41.174 40.800 0.003 0.000 0.938 283 D HN 0.595 nan 8.370 nan 0.000 0.508 284 S N -0.363 115.338 115.700 0.002 0.000 2.600 284 S HA 0.171 4.644 4.470 0.006 0.000 0.265 284 S C 0.568 175.169 174.600 0.002 0.000 1.325 284 S CA -0.719 57.483 58.200 0.002 0.000 1.002 284 S CB 1.441 64.642 63.200 0.002 0.000 0.921 284 S HN 0.021 nan 8.310 nan 0.000 0.554 285 Q N 0.565 120.366 119.800 0.002 0.000 2.474 285 Q HA 0.149 4.493 4.340 0.006 0.000 0.256 285 Q C -0.021 175.979 176.000 -0.000 0.000 1.048 285 Q CA 0.130 55.934 55.803 0.002 0.000 0.922 285 Q CB 0.191 28.931 28.738 0.003 0.000 1.288 285 Q HN 0.718 nan 8.270 nan 0.000 0.484 286 T N 2.389 116.942 114.554 -0.002 0.000 2.871 286 T HA 0.037 4.390 4.350 0.006 0.000 0.296 286 T C 0.468 175.164 174.700 -0.006 0.000 0.998 286 T CA 0.458 62.554 62.100 -0.006 0.000 1.162 286 T CB 0.160 69.022 68.868 -0.009 0.000 0.947 286 T HN 0.434 nan 8.240 nan 0.000 0.536 287 R N 1.359 121.854 120.500 -0.009 0.000 2.661 287 R HA 0.144 4.488 4.340 0.006 0.000 0.429 287 R C 0.392 176.682 176.300 -0.017 0.000 1.044 287 R CA -0.293 55.803 56.100 -0.006 0.000 1.065 287 R CB 0.599 30.901 30.300 0.002 0.000 1.377 287 R HN 0.781 nan 8.270 nan 0.000 0.600 288 T N -1.698 112.839 114.554 -0.029 0.000 2.874 288 T HA 0.550 4.904 4.350 0.006 0.000 0.281 288 T C 0.454 175.105 174.700 -0.081 0.000 0.994 288 T CA -0.439 61.632 62.100 -0.049 0.000 1.015 288 T CB 1.681 70.522 68.868 -0.044 0.000 1.028 288 T HN 0.027 nan 8.240 nan 0.000 0.523 289 I N 1.795 122.284 120.570 -0.135 0.000 2.382 289 I HA 0.316 4.490 4.170 0.006 0.000 0.286 289 I C -0.173 175.821 176.117 -0.206 0.000 1.002 289 I CA -0.614 60.548 61.300 -0.230 0.000 1.135 289 I CB 1.763 39.484 38.000 -0.465 0.000 1.288 289 I HN 0.624 nan 8.210 nan 0.000 0.448 290 S N 6.462 122.074 115.700 -0.148 0.000 2.449 290 S HA 0.565 5.039 4.470 0.006 0.000 0.310 290 S C -0.504 174.037 174.600 -0.097 0.000 1.096 290 S CA -0.856 57.280 58.200 -0.106 0.000 1.095 290 S CB 1.133 64.293 63.200 -0.066 0.000 1.007 290 S HN 0.341 nan 8.310 nan 0.000 0.474 291 K N 2.419 122.769 120.400 -0.084 0.000 2.422 291 K HA 0.427 4.751 4.320 0.006 0.000 0.251 291 K C -0.721 175.866 176.600 -0.021 0.000 0.933 291 K CA -0.893 55.367 56.287 -0.046 0.000 0.798 291 K CB 1.289 33.768 32.500 -0.035 0.000 1.238 291 K HN 0.446 nan 8.250 nan 0.000 0.428 292 N N 1.230 119.925 118.700 -0.007 0.000 2.482 292 N HA 0.179 4.923 4.740 0.006 0.000 0.260 292 N C -0.097 175.419 175.510 0.009 0.000 1.236 292 N CA 0.306 53.356 53.050 -0.001 0.000 0.938 292 N CB 0.760 39.248 38.487 0.002 0.000 1.128 292 N HN 0.606 nan 8.380 nan 0.000 0.448 293 T N -3.186 111.372 114.554 0.007 0.000 2.906 293 T HA 0.520 4.874 4.350 0.006 0.000 0.295 293 T C -0.494 174.212 174.700 0.010 0.000 1.061 293 T CA -0.917 61.191 62.100 0.014 0.000 1.000 293 T CB 1.702 70.579 68.868 0.015 0.000 1.103 293 T HN 0.219 nan 8.240 nan 0.000 0.486 294 S N 0.927 116.635 115.700 0.013 0.000 2.478 294 S HA 0.680 5.153 4.470 0.006 0.000 0.312 294 S C -0.749 173.858 174.600 0.011 0.000 1.094 294 S CA -0.455 57.751 58.200 0.010 0.000 1.081 294 S CB 0.803 64.007 63.200 0.007 0.000 1.007 294 S HN 0.880 nan 8.310 nan 0.000 0.475 295 T N 3.657 118.219 114.554 0.013 0.000 2.841 295 T HA 0.611 4.965 4.350 0.006 0.000 0.283 295 T C -0.890 173.819 174.700 0.016 0.000 1.000 295 T CA -0.582 61.526 62.100 0.014 0.000 0.977 295 T CB 1.637 70.513 68.868 0.014 0.000 0.979 295 T HN 0.480 nan 8.240 nan 0.000 0.446 296 S N 1.610 117.317 115.700 0.012 0.000 2.521 296 S HA 0.493 4.966 4.470 0.006 0.000 0.295 296 S C -0.228 174.379 174.600 0.011 0.000 1.098 296 S CA -0.887 57.319 58.200 0.011 0.000 0.999 296 S CB 1.798 65.002 63.200 0.007 0.000 1.034 296 S HN 0.639 nan 8.310 nan 0.000 0.483 297 R N 1.764 122.269 120.500 0.009 0.000 2.537 297 R HA 0.305 4.648 4.340 0.006 0.000 0.280 297 R C 0.332 176.640 176.300 0.012 0.000 1.058 297 R CA 0.211 56.317 56.100 0.010 0.000 1.057 297 R CB 0.251 30.554 30.300 0.005 0.000 0.973 297 R HN 0.801 nan 8.270 nan 0.000 0.438 323 G N -2.177 106.649 108.800 0.042 0.000 2.788 323 G HA2 0.763 4.726 3.960 0.006 0.000 0.293 323 G HA3 0.763 4.726 3.960 0.006 0.000 0.293 323 G C 0.055 174.980 174.900 0.043 0.000 1.305 323 G CA 0.316 45.440 45.100 0.039 0.000 1.005 323 G HN 2.079 nan 8.290 nan 0.000 0.496 324 F N -0.430 119.542 119.950 0.037 0.000 2.661 324 F HA 0.630 5.160 4.527 0.006 0.000 0.306 324 F C 1.234 177.054 175.800 0.033 0.000 1.094 324 F CA 0.210 58.231 58.000 0.035 0.000 1.254 324 F CB -0.130 38.887 39.000 0.028 0.000 1.040 324 F HN 0.569 nan 8.300 nan 0.000 0.562 325 S N 1.114 116.835 115.700 0.035 0.000 2.489 325 S HA 0.239 4.712 4.470 0.006 0.000 0.277 325 S C 0.575 175.201 174.600 0.044 0.000 1.230 325 S CA -0.439 57.782 58.200 0.034 0.000 1.053 325 S CB 0.112 63.332 63.200 0.032 0.000 0.955 325 S HN 0.495 nan 8.310 nan 0.000 0.488 326 N N 2.726 121.451 118.700 0.042 0.000 2.268 326 N HA 0.040 4.784 4.740 0.006 0.000 0.204 326 N C 0.065 175.613 175.510 0.063 0.000 1.124 326 N CA -0.002 53.082 53.050 0.057 0.000 0.838 326 N CB 0.406 38.919 38.487 0.043 0.000 0.994 326 N HN 0.701 nan 8.380 nan 0.000 0.489 327 S N 0.818 116.547 115.700 0.049 0.000 2.572 327 S HA 0.202 4.675 4.470 0.006 0.000 0.279 327 S C 0.200 174.837 174.600 0.061 0.000 1.341 327 S CA -0.574 57.654 58.200 0.045 0.000 1.043 327 S CB 1.075 64.296 63.200 0.034 0.000 0.887 327 S HN 0.047 nan 8.310 nan 0.000 0.516 328 N N 1.593 120.333 118.700 0.066 0.000 2.455 328 N HA 0.487 5.230 4.740 0.006 0.000 0.280 328 N C -0.813 174.729 175.510 0.052 0.000 1.055 328 N CA -0.174 52.920 53.050 0.072 0.000 0.961 328 N CB 1.676 40.223 38.487 0.100 0.000 1.121 328 N HN 0.673 nan 8.380 nan 0.000 0.476 329 S N 0.182 115.908 115.700 0.043 0.000 2.550 329 S HA 0.662 5.136 4.470 0.006 0.000 0.270 329 S C -1.299 173.317 174.600 0.025 0.000 1.145 329 S CA -0.645 57.574 58.200 0.032 0.000 0.852 329 S CB 0.848 64.066 63.200 0.029 0.000 1.119 329 S HN 0.583 nan 8.310 nan 0.000 0.465 330 S N 1.514 117.225 115.700 0.019 0.000 2.569 330 S HA 0.791 5.264 4.470 0.006 0.000 0.280 330 S C -1.079 173.529 174.600 0.013 0.000 1.111 330 S CA -0.670 57.538 58.200 0.014 0.000 0.887 330 S CB 1.689 64.894 63.200 0.009 0.000 1.095 330 S HN 0.588 nan 8.310 nan 0.000 0.476 331 T N 1.916 116.477 114.554 0.013 0.000 2.807 331 T HA 0.606 4.960 4.350 0.006 0.000 0.279 331 T C -0.734 173.973 174.700 0.012 0.000 0.993 331 T CA -0.502 61.605 62.100 0.013 0.000 0.970 331 T CB 1.314 70.190 68.868 0.013 0.000 0.950 331 T HN 0.623 nan 8.240 nan 0.000 0.441 332 V N 2.660 122.583 119.914 0.014 0.000 2.398 332 V HA 0.750 4.874 4.120 0.006 0.000 0.286 332 V C 0.147 176.253 176.094 0.020 0.000 1.026 332 V CA -0.948 61.362 62.300 0.016 0.000 0.868 332 V CB 1.327 33.161 31.823 0.017 0.000 0.982 332 V HN 1.054 nan 8.190 nan 0.000 0.443 333 A N 6.205 129.038 122.820 0.020 0.000 2.271 333 A HA 0.799 5.123 4.320 0.006 0.000 0.317 333 A C -0.495 177.112 177.584 0.038 0.000 1.245 333 A CA -0.499 51.553 52.037 0.025 0.000 0.857 333 A CB 0.339 19.349 19.000 0.017 0.000 1.175 333 A HN 0.800 nan 8.150 nan 0.000 0.512 334 I N 2.505 123.111 120.570 0.059 0.000 2.371 334 I HA 0.107 4.281 4.170 0.006 0.000 0.290 334 I C 0.601 176.772 176.117 0.089 0.000 1.028 334 I CA -0.419 60.931 61.300 0.084 0.000 1.345 334 I CB 0.905 38.993 38.000 0.147 0.000 1.407 334 I HN 0.718 nan 8.210 nan 0.000 0.501 338 L N 3.036 124.206 121.223 -0.087 0.000 2.559 338 L HA 0.461 4.805 4.340 0.006 0.000 0.274 338 L C 1.169 178.048 176.870 0.015 0.000 1.205 338 L CA 1.880 56.688 54.840 -0.053 0.000 0.907 338 L CB 0.523 42.540 42.059 -0.070 0.000 1.153 338 L HN 1.087 nan 8.230 nan 0.000 0.490 339 S N 4.007 119.713 115.700 0.011 0.000 2.727 339 S HA 0.366 4.839 4.470 0.006 0.000 0.249 339 S C 0.309 174.914 174.600 0.009 0.000 1.079 339 S CA -0.464 57.743 58.200 0.012 0.000 0.912 339 S CB -0.023 63.173 63.200 -0.007 0.000 0.861 339 S HN 0.410 nan 8.310 nan 0.000 0.484 340 L N 1.850 123.078 121.223 0.009 0.000 2.322 340 L HA 0.838 5.182 4.340 0.006 0.000 0.269 340 L C 0.373 177.257 176.870 0.024 0.000 1.012 340 L CA -1.112 53.735 54.840 0.012 0.000 0.815 340 L CB 1.640 43.702 42.059 0.006 0.000 1.295 340 L HN 0.299 nan 8.230 nan 0.000 0.438 341 A N 0.857 123.692 122.820 0.025 0.000 2.406 341 A HA 0.624 4.948 4.320 0.006 0.000 0.243 341 A C 0.549 178.154 177.584 0.034 0.000 1.082 341 A CA 0.618 52.672 52.037 0.029 0.000 0.786 341 A CB -0.029 18.987 19.000 0.027 0.000 1.029 341 A HN 1.063 nan 8.150 nan 0.000 0.495 342 G N 0.092 108.913 108.800 0.034 0.000 2.828 342 G HA2 -0.105 3.858 3.960 0.006 0.000 0.463 342 G HA3 -0.105 3.858 3.960 0.006 0.000 0.463 342 G C -0.298 174.628 174.900 0.045 0.000 1.394 342 G CA 0.142 45.266 45.100 0.039 0.000 0.862 342 G HN 0.915 nan 8.290 nan 0.000 0.540 343 E N 0.359 120.592 120.200 0.055 0.000 3.388 343 E HA 0.189 4.543 4.350 0.006 0.000 0.214 343 E C 0.839 177.494 176.600 0.092 0.000 1.040 343 E CA -0.416 56.027 56.400 0.072 0.000 1.327 343 E CB 0.523 30.263 29.700 0.067 0.000 1.243 343 E HN 0.464 nan 8.360 nan 0.000 0.444 344 R N 1.012 121.573 120.500 0.101 0.000 2.679 344 R HA 0.137 4.480 4.340 0.006 0.000 0.269 344 R C 0.891 177.286 176.300 0.158 0.000 1.076 344 R CA 0.032 56.202 56.100 0.115 0.000 1.160 344 R CB 0.372 30.740 30.300 0.113 0.000 1.054 344 R HN 0.126 nan 8.270 nan 0.000 0.507 345 T N -1.819 112.823 114.554 0.147 0.000 2.802 345 T HA -0.014 4.339 4.350 0.006 0.000 0.305 345 T C 0.852 175.742 174.700 0.317 0.000 1.053 345 T CA -0.549 61.650 62.100 0.164 0.000 1.058 345 T CB 0.492 69.428 68.868 0.114 0.000 0.988 345 T HN 0.521 nan 8.240 nan 0.000 0.539 346 W N 1.082 122.402 121.300 0.033 0.000 2.363 346 W HA 0.069 4.733 4.660 0.007 0.000 0.296 346 W C 2.875 179.583 176.519 0.315 0.000 1.212 346 W CA 0.777 58.183 57.345 0.102 0.000 1.260 346 W CB -1.575 27.795 29.460 -0.151 0.000 1.131 346 W HN 0.960 nan 8.180 nan 0.000 0.530 347 A N 0.190 123.355 122.820 0.576 0.000 1.877 347 A HA -0.241 4.083 4.320 0.006 0.000 0.216 347 A C 1.893 179.645 177.584 0.281 0.000 1.186 347 A CA 1.958 54.271 52.037 0.460 0.000 0.620 347 A CB -0.856 18.400 19.000 0.426 0.000 0.822 347 A HN 0.370 nan 8.150 nan 0.000 0.443 348 E N -0.918 119.421 120.200 0.233 0.000 2.085 348 E HA -0.152 4.202 4.350 0.006 0.000 0.194 348 E C 2.107 178.791 176.600 0.139 0.000 0.994 348 E CA 1.692 58.188 56.400 0.159 0.000 0.801 348 E CB -0.331 29.449 29.700 0.134 0.000 0.743 348 E HN 0.615 nan 8.360 nan 0.000 0.453 349 T N 0.800 115.453 114.554 0.165 0.000 2.746 349 T HA -0.128 4.226 4.350 0.006 0.000 0.267 349 T C 1.715 176.468 174.700 0.089 0.000 1.039 349 T CA 1.264 63.433 62.100 0.116 0.000 1.142 349 T CB -0.047 68.887 68.868 0.111 0.000 0.866 349 T HN 0.159 nan 8.240 nan 0.000 0.444 350 M N 0.061 119.732 119.600 0.117 0.000 2.441 350 M HA 0.294 4.777 4.480 0.006 0.000 0.244 350 M C 1.485 177.811 176.300 0.042 0.000 1.122 350 M CA 0.224 55.560 55.300 0.060 0.000 1.041 350 M CB 0.431 33.057 32.600 0.043 0.000 1.438 350 M HN 0.377 nan 8.290 nan 0.000 0.484 351 G N 2.379 111.222 108.800 0.072 0.000 2.246 351 G HA2 -0.226 3.737 3.960 0.006 0.000 0.273 351 G HA3 -0.226 3.737 3.960 0.006 0.000 0.273 351 G C -0.154 174.775 174.900 0.048 0.000 1.055 351 G CA -0.244 44.890 45.100 0.057 0.000 0.851 351 G HN 0.419 nan 8.290 nan 0.000 0.500 352 L N 0.930 122.198 121.223 0.074 0.000 2.361 352 L HA 0.229 4.573 4.340 0.006 0.000 0.278 352 L C 0.990 177.951 176.870 0.152 0.000 1.113 352 L CA -0.378 54.512 54.840 0.084 0.000 0.849 352 L CB 0.285 42.380 42.059 0.060 0.000 1.155 352 L HN 0.616 nan 8.230 nan 0.000 0.452 353 N N 0.693 119.418 118.700 0.042 0.000 2.447 353 N HA 0.076 4.819 4.740 0.006 0.000 0.271 353 N C 0.621 175.960 175.510 -0.286 0.000 1.226 353 N CA -0.651 52.357 53.050 -0.070 0.000 0.980 353 N CB 0.510 38.955 38.487 -0.069 0.000 1.206 353 N HN 0.309 nan 8.380 nan 0.000 0.558 354 T N -1.695 112.537 114.554 -0.537 0.000 2.962 354 T HA -0.001 4.353 4.350 0.006 0.000 0.270 354 T C 1.239 175.675 174.700 -0.439 0.000 1.088 354 T CA 1.226 62.745 62.100 -0.969 0.000 1.127 354 T CB -0.599 67.901 68.868 -0.612 0.000 0.883 354 T HN 0.668 nan 8.240 nan 0.000 0.493 355 A N 0.387 123.080 122.820 -0.211 0.000 2.308 355 A HA 0.269 4.593 4.320 0.006 0.000 0.217 355 A C 0.494 178.059 177.584 -0.032 0.000 1.216 355 A CA -0.269 51.716 52.037 -0.087 0.000 0.864 355 A CB 0.119 19.080 19.000 -0.065 0.000 0.902 355 A HN 0.341 nan 8.150 nan 0.000 0.499 356 D N 0.628 121.018 120.400 -0.017 0.000 2.387 356 D HA 0.432 5.076 4.640 0.006 0.000 0.251 356 D C 0.445 176.764 176.300 0.032 0.000 1.141 356 D CA 0.630 54.634 54.000 0.006 0.000 0.987 356 D CB 1.265 42.062 40.800 -0.004 0.000 1.116 356 D HN 0.318 nan 8.370 nan 0.000 0.491 357 T N -2.992 111.557 114.554 -0.009 0.000 2.924 357 T HA 0.790 5.144 4.350 0.006 0.000 0.291 357 T C -0.652 173.993 174.700 -0.091 0.000 1.045 357 T CA -0.925 61.163 62.100 -0.020 0.000 1.015 357 T CB 1.849 70.720 68.868 0.006 0.000 1.103 357 T HN 0.362 nan 8.240 nan 0.000 0.496 358 A N 1.799 124.550 122.820 -0.114 0.000 2.384 358 A HA 0.952 5.275 4.320 0.006 0.000 0.312 358 A C -0.111 177.464 177.584 -0.014 0.000 1.113 358 A CA -1.291 50.660 52.037 -0.142 0.000 0.779 358 A CB 1.387 20.183 19.000 -0.341 0.000 1.307 358 A HN 1.212 nan 8.150 nan 0.000 0.436 359 R N 0.559 121.059 120.500 0.001 0.000 2.867 359 R HA 0.867 5.211 4.340 0.006 0.000 0.268 359 R C -1.660 174.667 176.300 0.045 0.000 1.014 359 R CA -0.772 55.348 56.100 0.033 0.000 0.946 359 R CB 1.472 31.784 30.300 0.021 0.000 1.208 359 R HN 0.741 nan 8.270 nan 0.000 0.477 360 L N 1.169 122.420 121.223 0.048 0.000 2.386 360 L HA 0.564 4.908 4.340 0.006 0.000 0.271 360 L C -1.516 175.369 176.870 0.026 0.000 0.993 360 L CA -0.706 54.160 54.840 0.043 0.000 0.819 360 L CB 2.215 44.312 42.059 0.063 0.000 1.294 360 L HN 0.951 nan 8.230 nan 0.000 0.414 361 N N 2.876 121.583 118.700 0.013 0.000 2.381 361 N HA 0.913 5.656 4.740 0.006 0.000 0.294 361 N C -1.538 173.973 175.510 0.002 0.000 1.216 361 N CA -0.418 52.637 53.050 0.008 0.000 0.803 361 N CB 2.282 40.770 38.487 0.002 0.000 1.372 361 N HN 0.807 nan 8.380 nan 0.000 0.500 362 A N 1.327 124.148 122.820 0.001 0.000 2.608 362 A HA 0.442 4.765 4.320 0.006 0.000 0.292 362 A C -1.847 175.734 177.584 -0.006 0.000 1.066 362 A CA -0.819 51.216 52.037 -0.004 0.000 0.676 362 A CB 1.256 20.254 19.000 -0.002 0.000 1.277 362 A HN 0.674 nan 8.150 nan 0.000 0.413 363 N N 0.716 119.409 118.700 -0.011 0.000 2.430 363 N HA 0.717 5.461 4.740 0.006 0.000 0.292 363 N C -0.628 174.871 175.510 -0.018 0.000 1.051 363 N CA -0.055 52.988 53.050 -0.011 0.000 0.917 363 N CB 1.663 40.141 38.487 -0.015 0.000 1.164 363 N HN 0.808 nan 8.380 nan 0.000 0.484 364 I N -1.707 118.851 120.570 -0.019 0.000 3.074 364 I HA 0.672 4.846 4.170 0.006 0.000 0.310 364 I C -0.823 175.284 176.117 -0.016 0.000 1.153 364 I CA -1.020 60.253 61.300 -0.046 0.000 0.993 364 I CB 2.446 40.377 38.000 -0.114 0.000 1.237 364 I HN 0.172 nan 8.210 nan 0.000 0.443 365 R N 1.986 122.478 120.500 -0.014 0.000 2.740 365 R HA 0.514 4.857 4.340 0.006 0.000 0.273 365 R C -1.892 174.425 176.300 0.028 0.000 0.998 365 R CA -0.843 55.319 56.100 0.104 0.000 0.900 365 R CB 2.205 32.636 30.300 0.218 0.000 1.223 365 R HN 0.532 nan 8.270 nan 0.000 0.466 366 Y N 0.424 120.835 120.300 0.186 0.000 2.299 366 Y HA 0.358 4.912 4.550 0.006 0.000 0.326 366 Y C 0.287 176.219 175.900 0.053 0.000 1.164 366 Y CA -0.410 57.744 58.100 0.091 0.000 1.234 366 Y CB 1.376 39.853 38.460 0.027 0.000 1.219 366 Y HN 0.122 nan 8.280 nan 0.000 0.497 367 V N 2.934 122.889 119.914 0.068 0.000 2.487 367 V HA 0.305 4.428 4.120 0.006 0.000 0.298 367 V C -0.693 175.305 176.094 -0.160 0.000 1.028 367 V CA -1.137 61.053 62.300 -0.183 0.000 0.860 367 V CB 1.695 33.377 31.823 -0.234 0.000 0.991 367 V HN 0.689 nan 8.190 nan 0.000 0.427 368 N N 2.747 121.309 118.700 -0.230 0.000 2.501 368 N HA 0.260 5.003 4.740 0.006 0.000 0.245 368 N C 0.717 176.087 175.510 -0.234 0.000 0.974 368 N CA -0.036 52.874 53.050 -0.233 0.000 0.941 368 N CB 1.749 40.089 38.487 -0.245 0.000 1.122 368 N HN 0.845 nan 8.380 nan 0.000 0.507 369 T N -0.484 113.946 114.554 -0.207 0.000 3.105 369 T HA 0.331 4.685 4.350 0.006 0.000 0.253 369 T C 0.964 175.548 174.700 -0.192 0.000 1.047 369 T CA -0.289 61.713 62.100 -0.165 0.000 0.944 369 T CB 0.137 68.941 68.868 -0.107 0.000 1.016 369 T HN 0.278 nan 8.240 nan 0.000 0.544 370 G N 1.461 110.090 108.800 -0.285 0.000 2.574 370 G HA2 0.448 4.411 3.960 0.006 0.000 0.248 370 G HA3 0.448 4.411 3.960 0.006 0.000 0.248 370 G C 0.714 175.411 174.900 -0.339 0.000 1.422 370 G CA 0.166 45.017 45.100 -0.415 0.000 1.051 370 G HN 0.368 nan 8.290 nan 0.000 0.560 371 T N -3.426 110.892 114.554 -0.393 0.000 3.043 371 T HA 0.628 4.982 4.350 0.006 0.000 0.272 371 T C 0.289 174.916 174.700 -0.122 0.000 0.990 371 T CA 0.617 62.585 62.100 -0.219 0.000 0.897 371 T CB 0.440 69.203 68.868 -0.175 0.000 1.111 371 T HN 1.063 nan 8.240 nan 0.000 0.529 372 A N 2.195 124.914 122.820 -0.168 0.000 2.498 372 A HA 0.886 5.210 4.320 0.006 0.000 0.298 372 A C -3.125 174.378 177.584 -0.134 0.000 1.075 372 A CA -2.054 49.976 52.037 -0.011 0.000 0.714 372 A CB 1.739 20.915 19.000 0.294 0.000 1.299 372 A HN 0.094 nan 8.150 nan 0.000 0.407 373 P HA 0.590 nan 4.420 nan 0.000 0.278 373 P C -0.863 176.353 177.300 -0.140 0.000 1.258 373 P CA -0.280 62.727 63.100 -0.154 0.000 0.811 373 P CB 1.037 32.612 31.700 -0.208 0.000 1.063 374 I N 0.870 121.269 120.570 -0.285 0.000 2.493 374 I HA 0.253 4.427 4.170 0.006 0.000 0.298 374 I C 0.570 176.527 176.117 -0.267 0.000 0.998 374 I CA -0.467 60.736 61.300 -0.161 0.000 1.137 374 I CB 1.699 39.562 38.000 -0.228 0.000 1.310 374 I HN 0.357 nan 8.210 nan 0.000 0.445 375 Y N 2.535 122.901 120.300 0.111 0.000 2.664 375 Y HA 0.061 4.613 4.550 0.002 0.000 0.278 375 Y C 1.501 177.439 175.900 0.064 0.000 1.130 375 Y CA -0.017 58.139 58.100 0.094 0.000 1.260 375 Y CB 0.235 38.764 38.460 0.115 0.000 1.369 375 Y HN 0.656 nan 8.280 nan 0.000 0.499 376 N N -0.953 117.880 118.700 0.220 0.000 2.143 376 N HA 0.200 4.944 4.740 0.006 0.000 0.229 376 N C -1.144 174.410 175.510 0.073 0.000 1.294 376 N CA 0.232 53.363 53.050 0.135 0.000 0.883 376 N CB 0.658 39.226 38.487 0.135 0.000 1.148 376 N HN -0.026 nan 8.380 nan 0.000 0.511 377 V N 1.386 121.332 119.914 0.053 0.000 2.711 377 V HA 0.388 4.512 4.120 0.006 0.000 0.304 377 V C -0.667 175.390 176.094 -0.061 0.000 1.097 377 V CA -0.785 61.523 62.300 0.013 0.000 0.906 377 V CB 2.322 34.189 31.823 0.074 0.000 1.015 377 V HN 0.079 nan 8.190 nan 0.000 0.427 378 L N 6.871 127.984 121.223 -0.183 0.000 2.334 378 L HA 0.530 4.874 4.340 0.006 0.000 0.277 378 L C -1.957 174.849 176.870 -0.107 0.000 1.075 378 L CA -1.648 53.008 54.840 -0.307 0.000 0.804 378 L CB 1.794 43.412 42.059 -0.734 0.000 1.174 378 L HN 0.413 nan 8.230 nan 0.000 0.438 379 P HA 0.071 nan 4.420 nan 0.000 0.272 379 P C -0.590 176.765 177.300 0.090 0.000 1.230 379 P CA -0.326 62.821 63.100 0.077 0.000 0.788 379 P CB 0.541 32.346 31.700 0.176 0.000 0.949 380 T N 1.632 116.227 114.554 0.068 0.000 2.897 380 T HA 0.358 4.711 4.350 0.006 0.000 0.294 380 T C 0.085 174.839 174.700 0.089 0.000 1.004 380 T CA 0.240 62.387 62.100 0.079 0.000 1.106 380 T CB 0.115 69.010 68.868 0.046 0.000 0.949 380 T HN 0.340 nan 8.240 nan 0.000 0.520 381 T N 2.535 117.146 114.554 0.095 0.000 2.848 381 T HA 0.447 4.800 4.350 0.006 0.000 0.285 381 T C -0.301 174.429 174.700 0.050 0.000 0.995 381 T CA -0.662 61.481 62.100 0.073 0.000 0.970 381 T CB 1.405 70.316 68.868 0.072 0.000 0.976 381 T HN 0.438 nan 8.240 nan 0.000 0.441 382 S N 2.398 118.121 115.700 0.039 0.000 2.480 382 S HA 0.520 4.993 4.470 0.006 0.000 0.286 382 S C -0.523 174.093 174.600 0.027 0.000 1.180 382 S CA -0.699 57.521 58.200 0.032 0.000 1.075 382 S CB 0.721 63.938 63.200 0.029 0.000 0.996 382 S HN 0.552 nan 8.310 nan 0.000 0.487 383 L N 5.525 126.764 121.223 0.027 0.000 2.257 383 L HA 0.609 4.953 4.340 0.006 0.000 0.290 383 L C -1.091 175.796 176.870 0.028 0.000 1.044 383 L CA -0.093 54.761 54.840 0.024 0.000 0.810 383 L CB 0.701 42.775 42.059 0.025 0.000 1.193 383 L HN 0.419 nan 8.230 nan 0.000 0.425 384 V N 5.999 125.928 119.914 0.025 0.000 2.540 384 V HA 0.444 4.568 4.120 0.006 0.000 0.302 384 V C -0.440 175.669 176.094 0.025 0.000 1.035 384 V CA -0.745 61.570 62.300 0.025 0.000 0.873 384 V CB 1.715 33.551 31.823 0.021 0.000 0.992 384 V HN 0.681 nan 8.190 nan 0.000 0.428 385 L N 4.841 126.080 121.223 0.027 0.000 2.307 385 L HA 0.898 5.241 4.340 0.006 0.000 0.282 385 L C 0.820 177.698 176.870 0.014 0.000 1.051 385 L CA 1.649 56.503 54.840 0.023 0.000 0.804 385 L CB 0.900 42.978 42.059 0.032 0.000 1.197 385 L HN 1.051 nan 8.230 nan 0.000 0.431 386 G N 3.968 112.771 108.800 0.005 0.000 2.574 386 G HA2 -0.427 3.536 3.960 0.006 0.000 0.282 386 G HA3 -0.427 3.536 3.960 0.006 0.000 0.282 386 G C 0.637 175.540 174.900 0.004 0.000 1.257 386 G CA 0.550 45.650 45.100 -0.000 0.000 0.956 386 G HN 0.952 nan 8.290 nan 0.000 0.560 387 K N 1.419 121.822 120.400 0.004 0.000 2.031 387 K HA 0.009 4.333 4.320 0.006 0.000 0.205 387 K C 1.761 178.367 176.600 0.011 0.000 1.049 387 K CA 2.420 58.711 56.287 0.007 0.000 0.939 387 K CB -0.324 32.180 32.500 0.006 0.000 0.717 387 K HN 0.845 nan 8.250 nan 0.000 0.438 388 N N -1.119 117.588 118.700 0.012 0.000 2.381 388 N HA 0.048 4.791 4.740 0.006 0.000 0.257 388 N C -1.107 174.414 175.510 0.018 0.000 1.409 388 N CA -0.267 52.792 53.050 0.015 0.000 0.836 388 N CB 0.515 39.010 38.487 0.014 0.000 1.384 388 N HN -0.037 nan 8.380 nan 0.000 0.490 389 Q N 1.516 121.328 119.800 0.020 0.000 2.456 389 Q HA 0.211 4.555 4.340 0.006 0.000 0.234 389 Q C -0.692 175.324 176.000 0.028 0.000 1.061 389 Q CA -0.119 55.699 55.803 0.024 0.000 0.896 389 Q CB 1.250 30.004 28.738 0.027 0.000 1.233 389 Q HN 0.138 nan 8.270 nan 0.000 0.506 390 T N 3.533 118.103 114.554 0.027 0.000 2.779 390 T HA 0.127 4.481 4.350 0.006 0.000 0.296 390 T C 1.166 175.886 174.700 0.034 0.000 0.938 390 T CA 0.079 62.196 62.100 0.029 0.000 1.119 390 T CB 0.415 69.299 68.868 0.027 0.000 0.891 390 T HN 0.505 nan 8.240 nan 0.000 0.526 391 L N 2.038 123.283 121.223 0.037 0.000 2.416 391 L HA 0.443 4.787 4.340 0.006 0.000 0.216 391 L C 1.126 178.020 176.870 0.040 0.000 1.098 391 L CA 0.061 54.926 54.840 0.042 0.000 0.840 391 L CB -0.015 42.074 42.059 0.049 0.000 0.981 391 L HN 0.658 nan 8.230 nan 0.000 0.462 392 A N -0.967 121.875 122.820 0.036 0.000 2.608 392 A HA 0.650 4.973 4.320 0.006 0.000 0.292 392 A C -0.881 176.725 177.584 0.036 0.000 1.066 392 A CA -0.384 51.675 52.037 0.036 0.000 0.676 392 A CB 1.205 20.227 19.000 0.036 0.000 1.277 392 A HN -0.105 nan 8.150 nan 0.000 0.413 393 T N 1.629 116.206 114.554 0.038 0.000 2.779 393 T HA 0.594 4.948 4.350 0.006 0.000 0.280 393 T C -0.439 174.291 174.700 0.050 0.000 0.987 393 T CA 0.035 62.160 62.100 0.042 0.000 0.966 393 T CB 0.453 69.344 68.868 0.039 0.000 0.933 393 T HN 0.424 nan 8.240 nan 0.000 0.442 394 I N 3.678 124.283 120.570 0.059 0.000 2.330 394 I HA 0.441 4.614 4.170 0.006 0.000 0.289 394 I C 0.197 176.377 176.117 0.106 0.000 1.001 394 I CA -0.595 60.751 61.300 0.077 0.000 1.193 394 I CB 1.026 39.065 38.000 0.065 0.000 1.345 394 I HN 0.316 nan 8.210 nan 0.000 0.461 395 K N 4.508 124.969 120.400 0.100 0.000 2.385 395 K HA 0.861 5.184 4.320 0.006 0.000 0.248 395 K C -0.987 175.669 176.600 0.093 0.000 0.955 395 K CA -0.825 55.517 56.287 0.092 0.000 0.816 395 K CB 2.707 35.243 32.500 0.060 0.000 1.250 395 K HN 0.624 nan 8.250 nan 0.000 0.434 396 A N 1.886 124.737 122.820 0.051 0.000 2.340 396 A HA 0.461 4.784 4.320 0.006 0.000 0.331 396 A C -0.852 176.736 177.584 0.008 0.000 1.140 396 A CA -0.847 51.201 52.037 0.019 0.000 0.801 396 A CB 0.641 19.585 19.000 -0.093 0.000 1.234 396 A HN 0.461 nan 8.150 nan 0.000 0.469 397 K N 2.338 122.754 120.400 0.027 0.000 2.416 397 K HA 0.107 4.430 4.320 0.006 0.000 0.283 397 K C 0.083 176.693 176.600 0.016 0.000 1.037 397 K CA 0.346 56.650 56.287 0.028 0.000 0.995 397 K CB 0.312 32.837 32.500 0.041 0.000 0.938 397 K HN 0.739 nan 8.250 nan 0.000 0.475 398 E N 1.699 121.909 120.200 0.017 0.000 2.398 398 E HA -0.051 4.302 4.350 0.006 0.000 0.263 398 E C 0.160 176.779 176.600 0.031 0.000 1.046 398 E CA -0.131 56.281 56.400 0.018 0.000 0.908 398 E CB 0.275 29.989 29.700 0.024 0.000 0.963 398 E HN 0.422 nan 8.360 nan 0.000 0.431 399 N N 1.032 119.756 118.700 0.040 0.000 2.828 399 N HA -0.202 4.541 4.740 0.006 0.000 0.248 399 N C -0.572 174.972 175.510 0.056 0.000 1.044 399 N CA 1.184 54.265 53.050 0.051 0.000 0.851 399 N CB -0.636 37.876 38.487 0.042 0.000 1.136 399 N HN 0.490 nan 8.380 nan 0.000 0.572 400 Q N -0.743 119.091 119.800 0.057 0.000 2.089 400 Q HA 0.230 4.573 4.340 0.006 0.000 0.248 400 Q C -0.689 175.369 176.000 0.098 0.000 0.828 400 Q CA -0.492 55.352 55.803 0.068 0.000 1.102 400 Q CB 0.705 29.477 28.738 0.058 0.000 1.221 400 Q HN 0.151 nan 8.270 nan 0.000 0.455 401 L N 1.422 122.713 121.223 0.113 0.000 2.453 401 L HA -0.007 4.336 4.340 0.006 0.000 0.272 401 L C 1.547 178.550 176.870 0.222 0.000 1.182 401 L CA 0.761 55.724 54.840 0.204 0.000 0.858 401 L CB 1.034 43.190 42.059 0.162 0.000 1.120 401 L HN 0.188 nan 8.230 nan 0.000 0.474 402 S N 1.558 117.411 115.700 0.255 0.000 2.522 402 S HA 0.029 4.502 4.470 0.006 0.000 0.227 402 S C 0.328 174.944 174.600 0.026 0.000 0.986 402 S CA 0.358 58.599 58.200 0.068 0.000 0.929 402 S CB -0.263 62.906 63.200 -0.051 0.000 0.769 402 S HN 0.737 nan 8.310 nan 0.000 0.529 403 Q N -1.028 118.838 119.800 0.109 0.000 2.804 403 Q HA 0.538 4.882 4.340 0.006 0.000 0.302 403 Q C -1.004 175.092 176.000 0.160 0.000 0.885 403 Q CA -1.058 54.790 55.803 0.075 0.000 0.759 403 Q CB 0.602 29.308 28.738 -0.054 0.000 1.465 403 Q HN 0.208 nan 8.270 nan 0.000 0.432 404 I N 0.912 121.522 120.570 0.066 0.000 2.938 404 I HA 0.148 4.322 4.170 0.006 0.000 0.285 404 I C -0.879 175.246 176.117 0.012 0.000 1.182 404 I CA -0.699 60.562 61.300 -0.063 0.000 1.388 404 I CB 0.809 38.718 38.000 -0.151 0.000 1.390 404 I HN 0.651 nan 8.210 nan 0.000 0.600 405 L N 7.774 128.946 121.223 -0.085 0.000 2.335 405 L HA 0.559 4.903 4.340 0.006 0.000 0.268 405 L C -0.143 176.635 176.870 -0.154 0.000 1.037 405 L CA -0.176 54.637 54.840 -0.045 0.000 0.895 405 L CB 0.274 42.282 42.059 -0.084 0.000 1.266 405 L HN 0.590 nan 8.230 nan 0.000 0.439 406 A N 5.898 128.649 122.820 -0.114 0.000 2.304 406 A HA 0.788 5.112 4.320 0.006 0.000 0.271 406 A C -2.453 175.049 177.584 -0.137 0.000 1.091 406 A CA -1.446 50.514 52.037 -0.129 0.000 0.812 406 A CB -0.252 18.700 19.000 -0.080 0.000 1.056 406 A HN 0.628 nan 8.150 nan 0.000 0.489 407 P HA -0.026 nan 4.420 nan 0.000 0.265 407 P C 0.313 177.541 177.300 -0.119 0.000 1.187 407 P CA 0.519 63.528 63.100 -0.151 0.000 0.766 407 P CB 0.164 31.784 31.700 -0.133 0.000 0.820 408 N N 0.538 119.156 118.700 -0.137 0.000 2.725 408 N HA -0.250 4.493 4.740 0.006 0.000 0.249 408 N C -0.566 174.879 175.510 -0.107 0.000 1.103 408 N CA 0.463 53.447 53.050 -0.110 0.000 0.707 408 N CB -1.035 37.421 38.487 -0.052 0.000 1.043 408 N HN 0.557 nan 8.380 nan 0.000 0.553 409 N N -1.749 116.845 118.700 -0.177 0.000 2.972 409 N HA 0.527 5.271 4.740 0.006 0.000 0.262 409 N C -1.833 173.521 175.510 -0.259 0.000 1.478 409 N CA -0.507 52.478 53.050 -0.108 0.000 0.841 409 N CB 1.110 39.593 38.487 -0.008 0.000 1.512 409 N HN 0.087 nan 8.380 nan 0.000 0.548 410 Y N -0.259 120.061 120.300 0.034 0.000 2.570 410 Y HA 0.491 5.044 4.550 0.004 0.000 0.345 410 Y C -1.251 174.735 175.900 0.142 0.000 1.014 410 Y CA -0.568 57.581 58.100 0.082 0.000 1.063 410 Y CB 1.488 39.980 38.460 0.053 0.000 1.272 410 Y HN 0.396 nan 8.280 nan 0.000 0.477 411 Y N 3.584 124.022 120.300 0.232 0.000 2.346 411 Y HA 0.560 5.115 4.550 0.008 0.000 0.332 411 Y C -2.972 173.071 175.900 0.238 0.000 0.985 411 Y CA -3.155 55.051 58.100 0.178 0.000 1.112 411 Y CB 1.774 40.296 38.460 0.104 0.000 1.170 411 Y HN 0.334 nan 8.280 nan 0.000 0.447 412 P HA 0.110 nan 4.420 nan 0.000 0.270 412 P C -0.711 176.579 177.300 -0.017 0.000 1.223 412 P CA -0.014 62.968 63.100 -0.197 0.000 0.785 412 P CB 0.623 32.227 31.700 -0.160 0.000 0.923 413 S N 1.616 117.284 115.700 -0.053 0.000 2.576 413 S HA 0.066 4.539 4.470 0.006 0.000 0.272 413 S C 1.081 175.662 174.600 -0.032 0.000 1.352 413 S CA -0.334 57.876 58.200 0.016 0.000 1.021 413 S CB 0.332 63.530 63.200 -0.002 0.000 0.887 413 S HN 0.307 nan 8.310 nan 0.000 0.542 414 K N 1.589 121.957 120.400 -0.053 0.000 2.360 414 K HA -0.098 4.226 4.320 0.006 0.000 0.201 414 K C 1.479 178.024 176.600 -0.091 0.000 1.046 414 K CA 0.971 57.175 56.287 -0.139 0.000 0.945 414 K CB -0.511 31.867 32.500 -0.203 0.000 0.750 414 K HN 0.850 nan 8.250 nan 0.000 0.464 415 N N 0.697 119.362 118.700 -0.058 0.000 2.521 415 N HA -0.064 4.680 4.740 0.006 0.000 0.188 415 N C 0.527 176.007 175.510 -0.050 0.000 1.146 415 N CA 0.258 53.279 53.050 -0.049 0.000 0.893 415 N CB 0.020 38.486 38.487 -0.035 0.000 0.975 415 N HN 0.096 nan 8.380 nan 0.000 0.451 416 L N -0.052 121.137 121.223 -0.058 0.000 2.303 416 L HA 0.640 4.984 4.340 0.006 0.000 0.266 416 L C 0.259 177.095 176.870 -0.056 0.000 1.011 416 L CA -1.496 53.309 54.840 -0.058 0.000 0.818 416 L CB 1.549 43.565 42.059 -0.072 0.000 1.326 416 L HN -0.094 nan 8.230 nan 0.000 0.435 417 A N 1.965 124.757 122.820 -0.047 0.000 2.483 417 A HA 0.399 4.722 4.320 0.006 0.000 0.238 417 A C -2.209 175.357 177.584 -0.030 0.000 1.070 417 A CA -0.644 51.370 52.037 -0.037 0.000 0.770 417 A CB -0.707 18.276 19.000 -0.029 0.000 1.008 417 A HN 0.445 nan 8.150 nan 0.000 0.497 418 P HA 0.317 nan 4.420 nan 0.000 0.277 418 P C -0.549 176.764 177.300 0.023 0.000 1.276 418 P CA -0.329 62.771 63.100 0.000 0.000 0.788 418 P CB 0.538 32.230 31.700 -0.012 0.000 1.114 419 I N 0.137 120.741 120.570 0.057 0.000 2.395 419 I HA 0.271 4.444 4.170 0.006 0.000 0.289 419 I C 0.801 176.942 176.117 0.040 0.000 1.023 419 I CA -0.555 60.790 61.300 0.075 0.000 1.350 419 I CB 0.903 38.991 38.000 0.146 0.000 1.409 419 I HN 0.325 nan 8.210 nan 0.000 0.507 420 A N 6.832 129.671 122.820 0.031 0.000 2.328 420 A HA 0.426 4.750 4.320 0.006 0.000 0.284 420 A C 1.037 178.638 177.584 0.027 0.000 1.160 420 A CA -0.501 51.547 52.037 0.018 0.000 0.818 420 A CB 0.511 19.516 19.000 0.008 0.000 1.087 420 A HN 0.886 nan 8.150 nan 0.000 0.504 421 L N 1.503 122.738 121.223 0.021 0.000 2.079 421 L HA -0.165 4.179 4.340 0.006 0.000 0.210 421 L C 0.594 177.482 176.870 0.031 0.000 1.081 421 L CA 1.283 56.139 54.840 0.028 0.000 0.752 421 L CB -0.323 41.748 42.059 0.020 0.000 0.896 421 L HN 0.749 nan 8.230 nan 0.000 0.433 422 N N 0.171 118.884 118.700 0.023 0.000 2.626 422 N HA 0.434 5.178 4.740 0.006 0.000 0.242 422 N C -0.479 175.037 175.510 0.010 0.000 1.005 422 N CA -0.407 52.655 53.050 0.021 0.000 0.905 422 N CB 1.459 39.958 38.487 0.020 0.000 1.128 422 N HN 0.067 nan 8.380 nan 0.000 0.512 423 A N 1.425 124.249 122.820 0.008 0.000 2.388 423 A HA 0.226 4.549 4.320 0.006 0.000 0.257 423 A C 0.783 178.348 177.584 -0.033 0.000 1.095 423 A CA -0.511 51.522 52.037 -0.006 0.000 0.791 423 A CB 0.379 19.379 19.000 0.001 0.000 1.029 423 A HN 0.570 nan 8.150 nan 0.000 0.489 427 F N 1.199 121.160 119.950 0.019 0.000 2.407 427 F HA 0.059 4.590 4.527 0.007 0.000 0.299 427 F C 2.238 178.049 175.800 0.018 0.000 1.097 427 F CA 0.695 58.705 58.000 0.017 0.000 1.422 427 F CB 0.187 39.196 39.000 0.015 0.000 1.067 427 F HN 0.231 nan 8.300 nan 0.000 0.539 428 S N -1.387 114.430 115.700 0.195 0.000 2.582 428 S HA 0.081 4.555 4.470 0.006 0.000 0.234 428 S C 0.649 175.301 174.600 0.087 0.000 0.961 428 S CA -0.140 58.136 58.200 0.127 0.000 0.953 428 S CB -0.061 63.204 63.200 0.109 0.000 0.800 428 S HN 0.064 nan 8.310 nan 0.000 0.471 429 S N 2.532 118.279 115.700 0.078 0.000 2.499 429 S HA 0.263 4.737 4.470 0.006 0.000 0.275 429 S C 0.236 174.869 174.600 0.055 0.000 1.257 429 S CA -0.280 57.955 58.200 0.058 0.000 1.050 429 S CB 0.353 63.580 63.200 0.045 0.000 0.937 429 S HN 0.313 nan 8.310 nan 0.000 0.490 430 T N 7.921 122.504 114.554 0.049 0.000 2.870 430 T HA 0.266 4.620 4.350 0.006 0.000 0.300 430 T C -2.263 172.461 174.700 0.040 0.000 0.989 430 T CA -0.719 61.408 62.100 0.044 0.000 1.139 430 T CB 0.536 69.429 68.868 0.041 0.000 0.920 430 T HN 0.523 nan 8.240 nan 0.000 0.537 431 P HA 0.216 nan 4.420 nan 0.000 0.268 431 P C -0.541 176.781 177.300 0.036 0.000 1.205 431 P CA -0.190 62.931 63.100 0.034 0.000 0.771 431 P CB 0.473 32.191 31.700 0.031 0.000 0.858 432 I N 2.770 123.362 120.570 0.036 0.000 2.313 432 I HA 0.146 4.319 4.170 0.006 0.000 0.286 432 I C 0.961 177.106 176.117 0.048 0.000 1.091 432 I CA -0.239 61.086 61.300 0.042 0.000 1.216 432 I CB 0.351 38.376 38.000 0.042 0.000 1.434 432 I HN 0.331 nan 8.210 nan 0.000 0.487 433 T N 3.176 117.758 114.554 0.047 0.000 2.895 433 T HA 0.766 5.119 4.350 0.006 0.000 0.283 433 T C -0.412 174.327 174.700 0.064 0.000 1.014 433 T CA -0.832 61.297 62.100 0.049 0.000 1.037 433 T CB 2.164 71.054 68.868 0.036 0.000 1.006 433 T HN 0.327 nan 8.240 nan 0.000 0.468 434 M N 3.189 122.835 119.600 0.077 0.000 2.464 434 M HA 0.395 4.879 4.480 0.006 0.000 0.308 434 M C -0.195 176.160 176.300 0.093 0.000 1.127 434 M CA -0.983 54.379 55.300 0.104 0.000 0.913 434 M CB 2.165 34.870 32.600 0.175 0.000 1.689 434 M HN 0.926 nan 8.290 nan 0.000 0.445 435 N N 0.811 119.572 118.700 0.100 0.000 2.317 435 N HA 0.002 4.745 4.740 0.006 0.000 0.245 435 N C 0.425 176.039 175.510 0.173 0.000 1.294 435 N CA -0.106 53.015 53.050 0.117 0.000 0.924 435 N CB 0.312 38.863 38.487 0.106 0.000 1.186 435 N HN 0.661 nan 8.380 nan 0.000 0.495 436 Y N 0.258 120.598 120.300 0.067 0.000 2.128 436 Y HA -0.206 4.348 4.550 0.006 0.000 0.284 436 Y C 1.576 177.575 175.900 0.166 0.000 1.154 436 Y CA 2.131 60.297 58.100 0.110 0.000 1.149 436 Y CB -0.518 37.982 38.460 0.067 0.000 0.976 436 Y HN 0.692 nan 8.280 nan 0.000 0.505 437 N N -0.587 118.251 118.700 0.230 0.000 2.166 437 N HA -0.217 4.527 4.740 0.006 0.000 0.186 437 N C 1.730 177.267 175.510 0.044 0.000 1.019 437 N CA 1.269 54.383 53.050 0.108 0.000 0.856 437 N CB -0.175 38.383 38.487 0.119 0.000 0.993 437 N HN 0.546 nan 8.380 nan 0.000 0.426 438 Q N -0.132 119.719 119.800 0.084 0.000 2.119 438 Q HA -0.139 4.205 4.340 0.006 0.000 0.201 438 Q C 1.643 177.699 176.000 0.092 0.000 0.972 438 Q CA 0.985 56.833 55.803 0.075 0.000 0.847 438 Q CB -0.127 28.668 28.738 0.094 0.000 0.903 438 Q HN 0.386 nan 8.270 nan 0.000 0.433 439 F N 1.328 121.250 119.950 -0.047 0.000 2.102 439 F HA -0.196 4.334 4.527 0.006 0.000 0.298 439 F C 1.726 177.458 175.800 -0.114 0.000 1.105 439 F CA 1.305 59.284 58.000 -0.034 0.000 1.239 439 F CB -0.130 38.832 39.000 -0.064 0.000 0.991 439 F HN -0.038 nan 8.300 nan 0.000 0.474 440 L N -0.115 120.984 121.223 -0.207 0.000 2.093 440 L HA -0.193 4.150 4.340 0.006 0.000 0.208 440 L C 2.472 179.161 176.870 -0.302 0.000 1.085 440 L CA 1.770 56.407 54.840 -0.339 0.000 0.755 440 L CB -0.896 41.010 42.059 -0.255 0.000 0.904 440 L HN 0.253 nan 8.230 nan 0.000 0.435 441 E N 0.629 120.721 120.200 -0.181 0.000 2.077 441 E HA -0.265 4.089 4.350 0.006 0.000 0.193 441 E C 2.235 178.719 176.600 -0.193 0.000 0.989 441 E CA 1.067 57.377 56.400 -0.149 0.000 0.800 441 E CB 0.019 29.677 29.700 -0.071 0.000 0.746 441 E HN 0.271 nan 8.360 nan 0.000 0.452 442 L N 1.750 122.864 121.223 -0.181 0.000 2.046 442 L HA -0.180 4.164 4.340 0.006 0.000 0.208 442 L C 2.268 178.880 176.870 -0.431 0.000 1.077 442 L CA 2.136 56.879 54.840 -0.162 0.000 0.747 442 L CB -0.555 41.515 42.059 0.017 0.000 0.896 442 L HN 0.213 nan 8.230 nan 0.000 0.432 443 E N -0.608 119.069 120.200 -0.872 0.000 2.085 443 E HA -0.277 4.077 4.350 0.006 0.000 0.194 443 E C 2.126 178.219 176.600 -0.845 0.000 0.994 443 E CA 1.498 56.941 56.400 -1.594 0.000 0.801 443 E CB -0.029 28.686 29.700 -1.641 0.000 0.743 443 E HN 0.511 nan 8.360 nan 0.000 0.453 444 K N -0.550 119.537 120.400 -0.522 0.000 2.062 444 K HA -0.086 4.237 4.320 0.006 0.000 0.205 444 K C 2.419 178.875 176.600 -0.240 0.000 1.051 444 K CA 1.731 57.817 56.287 -0.335 0.000 0.941 444 K CB -0.086 32.269 32.500 -0.241 0.000 0.719 444 K HN 0.308 nan 8.250 nan 0.000 0.440 445 T N -1.804 112.629 114.554 -0.201 0.000 3.009 445 T HA 0.035 4.388 4.350 0.006 0.000 0.258 445 T C 0.598 175.244 174.700 -0.089 0.000 1.063 445 T CA 0.141 62.169 62.100 -0.121 0.000 1.139 445 T CB -0.061 68.756 68.868 -0.084 0.000 0.890 445 T HN 0.111 nan 8.240 nan 0.000 0.471 446 K N 1.107 121.446 120.400 -0.102 0.000 3.012 446 K HA -0.209 4.114 4.320 0.006 0.000 0.259 446 K C -0.109 176.504 176.600 0.021 0.000 0.989 446 K CA 0.521 56.804 56.287 -0.007 0.000 0.728 446 K CB -1.425 31.085 32.500 0.016 0.000 1.260 446 K HN 0.724 nan 8.250 nan 0.000 0.480 447 Q N 0.322 120.126 119.800 0.007 0.000 2.359 447 Q HA 0.688 5.032 4.340 0.006 0.000 0.274 447 Q C -1.377 174.635 176.000 0.020 0.000 1.074 447 Q CA -0.910 54.901 55.803 0.013 0.000 0.810 447 Q CB 1.542 30.279 28.738 -0.002 0.000 1.342 447 Q HN 0.233 nan 8.270 nan 0.000 0.427 448 L N 1.537 122.775 121.223 0.024 0.000 2.327 448 L HA 0.716 5.059 4.340 0.006 0.000 0.258 448 L C -0.767 176.114 176.870 0.018 0.000 1.024 448 L CA -0.945 53.910 54.840 0.025 0.000 0.825 448 L CB 2.538 44.616 42.059 0.032 0.000 1.386 448 L HN 0.552 nan 8.230 nan 0.000 0.417 449 R N 0.932 121.443 120.500 0.018 0.000 2.686 449 R HA 0.726 5.070 4.340 0.006 0.000 0.286 449 R C -1.840 174.469 176.300 0.015 0.000 0.969 449 R CA -0.659 55.450 56.100 0.016 0.000 0.898 449 R CB 1.697 32.006 30.300 0.016 0.000 1.183 449 R HN 0.515 nan 8.270 nan 0.000 0.456 450 L N 3.841 125.071 121.223 0.013 0.000 2.318 450 L HA 0.375 4.718 4.340 0.006 0.000 0.277 450 L C -1.071 175.811 176.870 0.019 0.000 1.008 450 L CA -0.704 54.142 54.840 0.011 0.000 0.846 450 L CB 1.802 43.858 42.059 -0.005 0.000 1.220 450 L HN 0.457 nan 8.230 nan 0.000 0.423 451 D N 2.178 122.593 120.400 0.025 0.000 2.329 451 D HA 0.340 4.983 4.640 0.006 0.000 0.232 451 D C -0.244 176.081 176.300 0.041 0.000 1.088 451 D CA -0.065 53.954 54.000 0.031 0.000 0.835 451 D CB 1.949 42.765 40.800 0.027 0.000 1.078 451 D HN 0.297 nan 8.370 nan 0.000 0.495 452 T N 1.740 116.326 114.554 0.053 0.000 2.797 452 T HA 0.313 4.667 4.350 0.006 0.000 0.279 452 T C 0.065 174.802 174.700 0.061 0.000 0.991 452 T CA -0.947 61.198 62.100 0.075 0.000 0.979 452 T CB 1.394 70.328 68.868 0.109 0.000 0.943 452 T HN 0.318 nan 8.240 nan 0.000 0.444 453 D N 1.952 122.375 120.400 0.039 0.000 2.414 453 D HA 0.064 4.707 4.640 0.006 0.000 0.259 453 D C 0.307 176.552 176.300 -0.092 0.000 1.269 453 D CA -0.489 53.500 54.000 -0.018 0.000 1.028 453 D CB 0.612 41.394 40.800 -0.030 0.000 1.093 453 D HN 0.399 nan 8.370 nan 0.000 0.545 454 Q N -0.797 118.860 119.800 -0.239 0.000 2.241 454 Q HA 0.277 4.621 4.340 0.006 0.000 0.296 454 Q C -0.819 174.643 176.000 -0.896 0.000 0.889 454 Q CA -0.353 55.065 55.803 -0.642 0.000 1.089 454 Q CB 0.966 29.490 28.738 -0.357 0.000 1.195 454 Q HN 0.208 nan 8.270 nan 0.000 0.451 455 V N 1.898 121.499 119.914 -0.522 0.000 2.320 455 V HA 0.104 4.228 4.120 0.006 0.000 0.265 455 V C -0.403 175.639 176.094 -0.087 0.000 1.048 455 V CA -0.090 62.056 62.300 -0.257 0.000 0.865 455 V CB -0.014 31.756 31.823 -0.088 0.000 1.043 455 V HN 0.398 nan 8.190 nan 0.000 0.474 456 Y N 2.826 123.181 120.300 0.091 0.000 2.500 456 Y HA 0.528 5.081 4.550 0.006 0.000 0.246 456 Y C 1.481 177.521 175.900 0.232 0.000 1.146 456 Y CA -0.291 57.856 58.100 0.077 0.000 1.230 456 Y CB 0.044 38.458 38.460 -0.076 0.000 1.214 456 Y HN 0.769 nan 8.280 nan 0.000 0.526 457 G N 1.268 110.286 108.800 0.362 0.000 2.525 457 G HA2 -0.299 3.664 3.960 0.006 0.000 0.248 457 G HA3 -0.299 3.664 3.960 0.006 0.000 0.248 457 G C -0.329 174.757 174.900 0.311 0.000 1.238 457 G CA -0.237 45.030 45.100 0.278 0.000 0.926 457 G HN 0.373 nan 8.290 nan 0.000 0.574 458 N N -0.324 118.505 118.700 0.216 0.000 2.463 458 N HA 0.624 5.367 4.740 0.006 0.000 0.270 458 N C 0.074 175.640 175.510 0.094 0.000 1.205 458 N CA -0.249 52.853 53.050 0.087 0.000 0.974 458 N CB 1.095 39.606 38.487 0.040 0.000 1.197 458 N HN 0.591 nan 8.380 nan 0.000 0.504 459 I N 0.585 121.087 120.570 -0.113 0.000 2.441 459 I HA 0.442 4.615 4.170 0.006 0.000 0.295 459 I C -0.289 175.790 176.117 -0.063 0.000 0.994 459 I CA -1.136 60.073 61.300 -0.151 0.000 1.144 459 I CB 1.775 39.415 38.000 -0.599 0.000 1.314 459 I HN 0.468 nan 8.210 nan 0.000 0.445 460 A N 4.470 127.312 122.820 0.037 0.000 2.302 460 A HA 0.602 4.926 4.320 0.006 0.000 0.295 460 A C 0.199 177.858 177.584 0.126 0.000 1.235 460 A CA -0.259 51.749 52.037 -0.048 0.000 0.876 460 A CB -0.083 18.783 19.000 -0.223 0.000 1.133 460 A HN 0.769 nan 8.150 nan 0.000 0.533 461 T N -0.033 114.564 114.554 0.070 0.000 2.942 461 T HA 0.562 4.915 4.350 0.006 0.000 0.289 461 T C -0.454 174.332 174.700 0.143 0.000 1.044 461 T CA -0.579 61.615 62.100 0.156 0.000 1.023 461 T CB 0.929 69.849 68.868 0.087 0.000 1.123 461 T HN 0.467 nan 8.240 nan 0.000 0.512 462 Y N 1.578 121.903 120.300 0.043 0.000 2.309 462 Y HA 0.377 4.931 4.550 0.006 0.000 0.327 462 Y C 0.451 176.271 175.900 -0.134 0.000 1.172 462 Y CA -0.434 57.608 58.100 -0.096 0.000 1.280 462 Y CB 0.736 39.072 38.460 -0.207 0.000 1.234 462 Y HN 0.893 nan 8.280 nan 0.000 0.512 463 N N 4.672 122.987 118.700 -0.641 0.000 2.443 463 N HA 0.183 4.926 4.740 0.006 0.000 0.269 463 N C -0.252 174.912 175.510 -0.576 0.000 0.985 463 N CA -0.535 52.279 53.050 -0.394 0.000 0.921 463 N CB 0.525 38.856 38.487 -0.260 0.000 1.195 463 N HN 0.649 nan 8.380 nan 0.000 0.492 464 F N 1.673 121.579 119.950 -0.074 0.000 2.407 464 F HA -0.013 4.518 4.527 0.008 0.000 0.299 464 F C 2.323 178.117 175.800 -0.009 0.000 1.097 464 F CA 0.557 58.596 58.000 0.066 0.000 1.422 464 F CB 0.055 39.194 39.000 0.231 0.000 1.067 464 F HN 0.667 nan 8.300 nan 0.000 0.539 465 E N 0.927 121.165 120.200 0.064 0.000 2.110 465 E HA -0.237 4.116 4.350 0.006 0.000 0.193 465 E C 1.311 177.891 176.600 -0.035 0.000 0.988 465 E CA 1.653 58.041 56.400 -0.020 0.000 0.804 465 E CB -0.025 29.627 29.700 -0.081 0.000 0.745 465 E HN 0.478 nan 8.360 nan 0.000 0.458 466 N N -1.732 116.907 118.700 -0.102 0.000 2.143 466 N HA 0.108 4.852 4.740 0.006 0.000 0.222 466 N C 0.708 176.128 175.510 -0.149 0.000 1.264 466 N CA 0.537 53.528 53.050 -0.099 0.000 0.897 466 N CB 0.646 39.077 38.487 -0.095 0.000 1.092 466 N HN 0.159 nan 8.380 nan 0.000 0.516 467 G N 0.594 109.211 108.800 -0.304 0.000 2.249 467 G HA2 -0.336 3.627 3.960 0.006 0.000 0.273 467 G HA3 -0.336 3.627 3.960 0.006 0.000 0.273 467 G C -0.386 174.310 174.900 -0.341 0.000 1.036 467 G CA 0.316 45.203 45.100 -0.355 0.000 0.824 467 G HN 0.524 nan 8.290 nan 0.000 0.504 468 R N -1.406 118.830 120.500 -0.440 0.000 2.778 468 R HA 0.652 4.996 4.340 0.006 0.000 0.277 468 R C -0.272 175.871 176.300 -0.261 0.000 0.977 468 R CA -0.925 55.033 56.100 -0.236 0.000 0.950 468 R CB 2.269 32.479 30.300 -0.150 0.000 1.165 468 R HN 0.072 nan 8.270 nan 0.000 0.474 469 V N 2.072 121.937 119.914 -0.081 0.000 2.407 469 V HA 0.530 4.654 4.120 0.006 0.000 0.278 469 V C -0.064 175.994 176.094 -0.060 0.000 1.037 469 V CA -0.539 61.747 62.300 -0.023 0.000 0.900 469 V CB 1.381 33.245 31.823 0.069 0.000 0.983 469 V HN 0.587 nan 8.190 nan 0.000 0.459 470 R N 2.242 122.692 120.500 -0.084 0.000 2.668 470 R HA 0.500 4.843 4.340 0.006 0.000 0.272 470 R C -1.028 175.180 176.300 -0.154 0.000 1.019 470 R CA -0.859 55.168 56.100 -0.121 0.000 0.894 470 R CB 2.121 32.360 30.300 -0.101 0.000 1.228 470 R HN 0.544 nan 8.270 nan 0.000 0.460 471 V N 2.248 122.023 119.914 -0.231 0.000 2.557 471 V HA 0.048 4.171 4.120 0.006 0.000 0.301 471 V C 0.409 176.431 176.094 -0.119 0.000 1.026 471 V CA 0.495 62.661 62.300 -0.222 0.000 1.137 471 V CB 0.482 32.165 31.823 -0.232 0.000 0.917 471 V HN 0.785 nan 8.190 nan 0.000 0.484 472 D N 3.627 123.969 120.400 -0.098 0.000 2.414 472 D HA 0.221 4.865 4.640 0.006 0.000 0.232 472 D C 1.255 177.515 176.300 -0.066 0.000 1.070 472 D CA -0.053 53.901 54.000 -0.077 0.000 0.839 472 D CB 1.777 42.531 40.800 -0.076 0.000 1.079 472 D HN 0.651 nan 8.370 nan 0.000 0.521 473 T N 0.336 114.860 114.554 -0.050 0.000 2.977 473 T HA -0.024 4.329 4.350 0.006 0.000 0.271 473 T C 1.730 176.405 174.700 -0.041 0.000 1.105 473 T CA 0.733 62.812 62.100 -0.035 0.000 1.116 473 T CB -0.130 68.723 68.868 -0.026 0.000 0.878 473 T HN 0.375 nan 8.240 nan 0.000 0.509 474 G N 0.285 109.052 108.800 -0.054 0.000 2.813 474 G HA2 0.298 4.262 3.960 0.006 0.000 0.209 474 G HA3 0.298 4.262 3.960 0.006 0.000 0.209 474 G C 0.278 175.129 174.900 -0.081 0.000 1.150 474 G CA -0.325 44.738 45.100 -0.061 0.000 0.785 474 G HN 0.522 nan 8.290 nan 0.000 0.535 475 S N 0.264 115.905 115.700 -0.099 0.000 2.502 475 S HA 0.554 5.028 4.470 0.006 0.000 0.304 475 S C -0.973 173.527 174.600 -0.167 0.000 1.097 475 S CA -0.796 57.314 58.200 -0.150 0.000 1.045 475 S CB 1.957 65.042 63.200 -0.191 0.000 1.019 475 S HN 0.254 nan 8.310 nan 0.000 0.481 476 N N 0.866 119.461 118.700 -0.175 0.000 2.287 476 N HA 0.224 4.967 4.740 0.006 0.000 0.289 476 N C -0.273 175.177 175.510 -0.101 0.000 1.066 476 N CA -0.593 52.393 53.050 -0.108 0.000 0.841 476 N CB 1.082 39.558 38.487 -0.017 0.000 1.599 476 N HN 0.678 nan 8.380 nan 0.000 0.476 477 W N 1.627 122.975 121.300 0.080 0.000 2.392 477 W HA -0.053 4.609 4.660 0.004 0.000 0.279 477 W C 2.091 178.646 176.519 0.059 0.000 1.225 477 W CA 0.533 57.945 57.345 0.113 0.000 1.233 477 W CB 0.182 29.789 29.460 0.245 0.000 1.122 477 W HN 0.511 nan 8.180 nan 0.000 0.561 478 S N -0.083 115.744 115.700 0.212 0.000 2.474 478 S HA -0.150 4.323 4.470 0.006 0.000 0.235 478 S C 1.182 175.820 174.600 0.064 0.000 0.997 478 S CA 1.100 59.363 58.200 0.104 0.000 0.949 478 S CB -0.257 62.973 63.200 0.050 0.000 0.766 478 S HN 0.408 nan 8.310 nan 0.000 0.517 479 E N -0.032 120.192 120.200 0.040 0.000 2.478 479 E HA 0.085 4.439 4.350 0.006 0.000 0.194 479 E C 1.167 177.774 176.600 0.012 0.000 1.045 479 E CA 0.174 56.576 56.400 0.003 0.000 0.868 479 E CB 0.359 30.038 29.700 -0.036 0.000 0.885 479 E HN 0.270 nan 8.360 nan 0.000 0.505 480 V N 0.138 120.088 119.914 0.060 0.000 3.151 480 V HA -0.023 4.100 4.120 0.006 0.000 0.241 480 V C 1.855 178.020 176.094 0.118 0.000 1.173 480 V CA 0.281 62.629 62.300 0.080 0.000 1.154 480 V CB 0.089 31.955 31.823 0.071 0.000 0.898 480 V HN 0.201 nan 8.190 nan 0.000 0.473 481 L N 0.604 121.926 121.223 0.166 0.000 2.042 481 L HA -0.128 4.216 4.340 0.006 0.000 0.210 481 L C -0.214 176.665 176.870 0.015 0.000 1.076 481 L CA 1.963 56.863 54.840 0.100 0.000 0.749 481 L CB -1.795 40.334 42.059 0.116 0.000 0.893 481 L HN 0.352 nan 8.230 nan 0.000 0.432 482 P HA -0.183 nan 4.420 nan 0.000 0.215 482 P C 1.371 178.668 177.300 -0.005 0.000 1.153 482 P CA 1.253 64.354 63.100 0.001 0.000 0.853 482 P CB 0.062 31.765 31.700 0.005 0.000 0.788 483 Q N -1.069 118.734 119.800 0.005 0.000 2.123 483 Q HA -0.034 4.309 4.340 0.006 0.000 0.199 483 Q C 2.140 178.138 176.000 -0.003 0.000 0.966 483 Q CA 1.046 56.853 55.803 0.007 0.000 0.845 483 Q CB -0.789 27.960 28.738 0.019 0.000 0.907 483 Q HN 0.256 nan 8.270 nan 0.000 0.439 484 I N 0.505 121.064 120.570 -0.019 0.000 2.179 484 I HA -0.346 3.828 4.170 0.006 0.000 0.242 484 I C 2.164 178.222 176.117 -0.098 0.000 1.088 484 I CA 1.428 62.686 61.300 -0.071 0.000 1.357 484 I CB -0.275 37.622 38.000 -0.171 0.000 1.051 484 I HN 0.293 nan 8.210 nan 0.000 0.409 485 Q N 0.145 119.886 119.800 -0.099 0.000 2.170 485 Q HA -0.260 4.084 4.340 0.006 0.000 0.203 485 Q C 2.032 178.013 176.000 -0.031 0.000 0.976 485 Q CA 1.484 57.243 55.803 -0.073 0.000 0.858 485 Q CB -0.076 28.630 28.738 -0.054 0.000 0.907 485 Q HN 0.353 nan 8.270 nan 0.000 0.433 486 E N -0.191 119.997 120.200 -0.020 0.000 2.285 486 E HA -0.091 4.263 4.350 0.006 0.000 0.194 486 E C 1.370 177.969 176.600 -0.003 0.000 0.997 486 E CA 1.429 57.825 56.400 -0.007 0.000 0.845 486 E CB 0.292 29.990 29.700 -0.003 0.000 0.782 486 E HN 0.388 nan 8.360 nan 0.000 0.491 487 T N -2.875 111.678 114.554 -0.003 0.000 3.044 487 T HA 0.170 4.524 4.350 0.006 0.000 0.260 487 T C 0.445 175.150 174.700 0.009 0.000 1.019 487 T CA 0.112 62.216 62.100 0.006 0.000 0.921 487 T CB 0.027 68.905 68.868 0.016 0.000 1.053 487 T HN 0.080 nan 8.240 nan 0.000 0.533 488 T N -0.337 114.219 114.554 0.004 0.000 2.924 488 T HA 0.824 5.178 4.350 0.006 0.000 0.291 488 T C -0.346 174.367 174.700 0.020 0.000 1.045 488 T CA -0.789 61.319 62.100 0.013 0.000 1.015 488 T CB 1.784 70.659 68.868 0.011 0.000 1.103 488 T HN 0.345 nan 8.240 nan 0.000 0.496 489 A N 1.618 124.457 122.820 0.032 0.000 2.309 489 A HA 0.702 5.026 4.320 0.006 0.000 0.298 489 A C 0.252 177.880 177.584 0.074 0.000 1.165 489 A CA -0.882 51.182 52.037 0.046 0.000 0.821 489 A CB 0.446 19.470 19.000 0.040 0.000 1.102 489 A HN 0.948 nan 8.150 nan 0.000 0.500 490 R N 2.360 122.914 120.500 0.090 0.000 2.294 490 R HA 0.643 4.987 4.340 0.006 0.000 0.319 490 R C -1.426 174.967 176.300 0.155 0.000 0.984 490 R CA -0.348 55.828 56.100 0.125 0.000 0.861 490 R CB 0.563 30.932 30.300 0.115 0.000 1.104 490 R HN 0.685 nan 8.270 nan 0.000 0.451 491 I N 6.233 126.930 120.570 0.212 0.000 2.436 491 I HA 0.344 4.517 4.170 0.006 0.000 0.289 491 I C -0.413 175.879 176.117 0.291 0.000 1.010 491 I CA -0.817 60.629 61.300 0.243 0.000 1.098 491 I CB 2.032 40.225 38.000 0.321 0.000 1.266 491 I HN 0.532 nan 8.210 nan 0.000 0.434 492 I N 6.258 126.921 120.570 0.154 0.000 2.362 492 I HA 0.378 4.552 4.170 0.006 0.000 0.289 492 I C -1.012 175.111 176.117 0.010 0.000 0.994 492 I CA -0.546 60.825 61.300 0.119 0.000 1.158 492 I CB 1.613 39.652 38.000 0.065 0.000 1.315 492 I HN 0.374 nan 8.210 nan 0.000 0.451 493 F N 7.167 126.948 119.950 -0.282 0.000 2.547 493 F HA 0.399 4.929 4.527 0.006 0.000 0.316 493 F C 0.189 175.785 175.800 -0.340 0.000 1.121 493 F CA -1.009 56.669 58.000 -0.535 0.000 0.911 493 F CB 1.438 39.677 39.000 -1.268 0.000 1.179 493 F HN 0.521 nan 8.300 nan 0.000 0.443 494 N N 2.567 120.766 118.700 -0.835 0.000 2.238 494 N HA 0.154 4.898 4.740 0.006 0.000 0.222 494 N C 1.180 176.243 175.510 -0.744 0.000 1.133 494 N CA 0.378 53.070 53.050 -0.597 0.000 0.854 494 N CB 0.151 38.485 38.487 -0.255 0.000 1.041 494 N HN 0.744 nan 8.380 nan 0.000 0.510 495 G N 0.287 108.074 108.800 -1.689 0.000 2.509 495 G HA2 -0.204 3.760 3.960 0.006 0.000 0.218 495 G HA3 -0.204 3.760 3.960 0.006 0.000 0.218 495 G C 0.555 175.331 174.900 -0.206 0.000 1.124 495 G CA 0.022 44.574 45.100 -0.913 0.000 0.776 495 G HN 0.382 nan 8.290 nan 0.000 0.547 496 K N 1.488 121.755 120.400 -0.222 0.000 2.183 496 K HA 0.146 4.470 4.320 0.006 0.000 0.272 496 K C -0.348 176.249 176.600 -0.005 0.000 1.113 496 K CA -0.221 56.098 56.287 0.053 0.000 0.949 496 K CB -0.021 32.550 32.500 0.118 0.000 1.365 496 K HN 0.021 nan 8.250 nan 0.000 0.420 497 D N 3.316 123.726 120.400 0.016 0.000 2.945 497 D HA -0.221 4.422 4.640 0.006 0.000 0.225 497 D C 0.363 176.625 176.300 -0.064 0.000 1.158 497 D CA 1.159 55.152 54.000 -0.011 0.000 0.805 497 D CB -1.136 39.666 40.800 0.003 0.000 1.098 497 D HN 0.817 nan 8.370 nan 0.000 0.426 498 L N -3.224 117.945 121.223 -0.090 0.000 4.367 498 L HA -0.299 4.045 4.340 0.006 0.000 0.424 498 L C 0.296 177.117 176.870 -0.081 0.000 1.152 498 L CA 0.980 55.755 54.840 -0.109 0.000 0.974 498 L CB -1.464 40.467 42.059 -0.213 0.000 2.012 498 L HN 0.200 nan 8.230 nan 0.000 0.922 499 N N 0.973 119.626 118.700 -0.077 0.000 2.498 499 N HA 0.536 5.279 4.740 0.006 0.000 0.287 499 N C -0.036 175.431 175.510 -0.072 0.000 1.097 499 N CA -0.433 52.586 53.050 -0.053 0.000 0.973 499 N CB 1.494 39.965 38.487 -0.027 0.000 1.153 499 N HN 0.143 nan 8.380 nan 0.000 0.472 500 L N 1.804 122.998 121.223 -0.048 0.000 2.369 500 L HA 0.235 4.578 4.340 0.006 0.000 0.279 500 L C -0.235 176.637 176.870 0.002 0.000 1.108 500 L CA -0.310 54.504 54.840 -0.043 0.000 0.852 500 L CB 0.355 42.399 42.059 -0.025 0.000 1.169 500 L HN 0.062 nan 8.230 nan 0.000 0.452 501 V N 3.580 123.520 119.914 0.044 0.000 2.540 501 V HA 0.307 4.431 4.120 0.006 0.000 0.302 501 V C -0.091 176.155 176.094 0.253 0.000 1.035 501 V CA -0.711 61.672 62.300 0.138 0.000 0.873 501 V CB 1.976 33.921 31.823 0.203 0.000 0.992 501 V HN 0.719 nan 8.190 nan 0.000 0.428 502 E N 5.001 125.312 120.200 0.186 0.000 2.191 502 E HA 0.615 4.968 4.350 0.006 0.000 0.278 502 E C -0.980 175.723 176.600 0.170 0.000 0.972 502 E CA -0.802 55.728 56.400 0.217 0.000 0.804 502 E CB 1.114 30.908 29.700 0.157 0.000 1.110 502 E HN 0.494 nan 8.360 nan 0.000 0.394 503 R N 3.082 123.709 120.500 0.211 0.000 2.771 503 R HA 0.504 4.848 4.340 0.006 0.000 0.274 503 R C -0.774 175.618 176.300 0.154 0.000 0.987 503 R CA -0.832 55.291 56.100 0.039 0.000 0.908 503 R CB 1.915 31.981 30.300 -0.389 0.000 1.213 503 R HN 0.609 nan 8.270 nan 0.000 0.468 504 R N 1.275 121.888 120.500 0.189 0.000 2.561 504 R HA 0.580 4.924 4.340 0.006 0.000 0.297 504 R C -0.644 175.716 176.300 0.101 0.000 0.969 504 R CA -0.836 55.356 56.100 0.154 0.000 0.879 504 R CB 1.720 32.104 30.300 0.139 0.000 1.178 504 R HN 0.356 nan 8.270 nan 0.000 0.445 505 I N 1.954 122.565 120.570 0.068 0.000 2.436 505 I HA 0.308 4.482 4.170 0.006 0.000 0.289 505 I C 0.163 176.304 176.117 0.039 0.000 1.010 505 I CA -0.512 60.815 61.300 0.046 0.000 1.098 505 I CB 2.043 40.062 38.000 0.032 0.000 1.266 505 I HN 0.648 nan 8.210 nan 0.000 0.434 506 A N 4.853 127.697 122.820 0.039 0.000 2.573 506 A HA 0.542 4.865 4.320 0.006 0.000 0.250 506 A C 0.244 177.841 177.584 0.022 0.000 1.049 506 A CA 0.541 52.598 52.037 0.034 0.000 0.767 506 A CB -0.396 18.628 19.000 0.041 0.000 0.965 506 A HN 0.977 nan 8.150 nan 0.000 0.514 507 A N 2.691 125.521 122.820 0.016 0.000 2.520 507 A HA 0.628 4.952 4.320 0.006 0.000 0.298 507 A C -0.052 177.535 177.584 0.003 0.000 1.051 507 A CA -0.066 51.975 52.037 0.006 0.000 0.690 507 A CB 0.836 19.837 19.000 0.002 0.000 1.281 507 A HN 2.230 nan 8.150 nan 0.000 0.402 508 V N 0.620 120.533 119.914 -0.002 0.000 2.788 508 V HA 0.321 4.445 4.120 0.006 0.000 0.307 508 V C 0.207 176.298 176.094 -0.006 0.000 1.069 508 V CA -0.137 62.161 62.300 -0.002 0.000 1.173 508 V CB 0.580 32.399 31.823 -0.006 0.000 0.925 508 V HN 0.858 nan 8.190 nan 0.000 0.492 509 N N 5.265 123.963 118.700 -0.003 0.000 2.511 509 N HA 0.459 5.203 4.740 0.006 0.000 0.249 509 N C -1.839 173.667 175.510 -0.007 0.000 0.971 509 N CA -2.503 50.544 53.050 -0.006 0.000 0.938 509 N CB 1.883 40.368 38.487 -0.003 0.000 1.131 509 N HN 0.408 nan 8.380 nan 0.000 0.505 510 P HA -0.023 nan 4.420 nan 0.000 0.221 510 P C 0.608 177.902 177.300 -0.009 0.000 1.145 510 P CA 0.985 64.079 63.100 -0.011 0.000 0.795 510 P CB 0.410 32.100 31.700 -0.016 0.000 0.775 511 S N -1.532 114.163 115.700 -0.008 0.000 2.558 511 S HA 0.001 4.475 4.470 0.006 0.000 0.217 511 S C 0.679 175.276 174.600 -0.004 0.000 0.975 511 S CA 0.195 58.391 58.200 -0.007 0.000 0.912 511 S CB -0.407 62.788 63.200 -0.008 0.000 0.776 511 S HN 0.152 nan 8.310 nan 0.000 0.526 512 D N 1.012 121.410 120.400 -0.003 0.000 2.440 512 D HA 0.283 4.927 4.640 0.006 0.000 0.239 512 D C -2.195 174.106 176.300 0.002 0.000 1.084 512 D CA -2.305 51.695 54.000 -0.000 0.000 0.843 512 D CB 1.838 42.639 40.800 0.002 0.000 1.097 512 D HN -0.111 nan 8.370 nan 0.000 0.531 513 P HA -0.122 nan 4.420 nan 0.000 0.215 513 P C 1.820 179.124 177.300 0.006 0.000 1.153 513 P CA 0.437 63.538 63.100 0.002 0.000 0.853 513 P CB 0.499 32.200 31.700 0.001 0.000 0.788 514 L N -0.072 121.156 121.223 0.009 0.000 2.046 514 L HA -0.172 4.172 4.340 0.006 0.000 0.208 514 L C 1.925 178.806 176.870 0.018 0.000 1.077 514 L CA 1.921 56.770 54.840 0.015 0.000 0.747 514 L CB -0.561 41.508 42.059 0.017 0.000 0.896 514 L HN -0.010 nan 8.230 nan 0.000 0.432 515 E N -0.543 119.666 120.200 0.015 0.000 2.338 515 E HA -0.145 4.208 4.350 0.006 0.000 0.197 515 E C 1.929 178.537 176.600 0.013 0.000 1.007 515 E CA 1.360 57.769 56.400 0.016 0.000 0.849 515 E CB -0.330 29.378 29.700 0.012 0.000 0.774 515 E HN 0.622 nan 8.360 nan 0.000 0.506 516 T N -1.366 113.193 114.554 0.009 0.000 3.118 516 T HA -0.057 4.297 4.350 0.006 0.000 0.260 516 T C 1.770 176.477 174.700 0.012 0.000 1.139 516 T CA 1.273 63.377 62.100 0.007 0.000 1.085 516 T CB -0.433 68.437 68.868 0.003 0.000 0.934 516 T HN 0.136 nan 8.240 nan 0.000 0.518 517 T N -1.116 113.449 114.554 0.017 0.000 3.148 517 T HA 0.254 4.608 4.350 0.006 0.000 0.253 517 T C 0.580 175.298 174.700 0.030 0.000 1.134 517 T CA -0.369 61.745 62.100 0.023 0.000 1.051 517 T CB -0.294 68.589 68.868 0.025 0.000 0.959 517 T HN 0.395 nan 8.240 nan 0.000 0.525 518 K N 2.439 122.855 120.400 0.028 0.000 2.098 518 K HA 0.418 4.742 4.320 0.006 0.000 0.257 518 K C -2.532 174.081 176.600 0.023 0.000 0.999 518 K CA -2.217 54.089 56.287 0.031 0.000 0.924 518 K CB 0.377 32.894 32.500 0.029 0.000 1.028 518 K HN 0.135 nan 8.250 nan 0.000 0.466 519 P HA 0.031 nan 4.420 nan 0.000 0.274 519 P C -0.898 176.399 177.300 -0.004 0.000 1.237 519 P CA -0.269 62.836 63.100 0.008 0.000 0.793 519 P CB 0.389 32.091 31.700 0.003 0.000 0.977 520 D N 1.324 121.715 120.400 -0.014 0.000 2.487 520 D HA 0.095 4.739 4.640 0.006 0.000 0.243 520 D C 0.192 176.475 176.300 -0.029 0.000 1.154 520 D CA 0.648 54.634 54.000 -0.022 0.000 0.876 520 D CB -0.004 40.780 40.800 -0.027 0.000 1.161 520 D HN 0.176 nan 8.370 nan 0.000 0.478 521 M N 2.720 122.304 119.600 -0.027 0.000 2.149 521 M HA 0.210 4.694 4.480 0.006 0.000 0.342 521 M C -0.291 175.985 176.300 -0.040 0.000 1.068 521 M CA -0.571 54.711 55.300 -0.031 0.000 0.991 521 M CB 0.992 33.581 32.600 -0.018 0.000 1.596 521 M HN 0.306 nan 8.290 nan 0.000 0.439 522 T N 1.968 116.494 114.554 -0.047 0.000 2.902 522 T HA 0.353 4.707 4.350 0.006 0.000 0.280 522 T C 0.824 175.490 174.700 -0.056 0.000 0.992 522 T CA -0.916 61.150 62.100 -0.056 0.000 1.015 522 T CB 0.842 69.676 68.868 -0.057 0.000 1.044 522 T HN 0.706 nan 8.240 nan 0.000 0.520 523 L N 0.905 122.085 121.223 -0.072 0.000 2.046 523 L HA 0.087 4.430 4.340 0.006 0.000 0.208 523 L C 2.567 179.391 176.870 -0.077 0.000 1.077 523 L CA 1.889 56.685 54.840 -0.073 0.000 0.747 523 L CB -1.162 40.824 42.059 -0.122 0.000 0.896 523 L HN 0.939 nan 8.230 nan 0.000 0.432 524 K N -0.582 119.775 120.400 -0.073 0.000 2.002 524 K HA -0.273 4.051 4.320 0.006 0.000 0.209 524 K C 2.125 178.689 176.600 -0.061 0.000 1.048 524 K CA 1.823 58.069 56.287 -0.068 0.000 0.930 524 K CB -0.155 32.323 32.500 -0.037 0.000 0.714 524 K HN 0.339 nan 8.250 nan 0.000 0.438 525 E N 0.362 120.531 120.200 -0.051 0.000 2.077 525 E HA -0.156 4.198 4.350 0.006 0.000 0.193 525 E C 1.659 178.238 176.600 -0.034 0.000 0.989 525 E CA 1.500 57.872 56.400 -0.047 0.000 0.800 525 E CB -0.240 29.423 29.700 -0.061 0.000 0.746 525 E HN 0.424 nan 8.360 nan 0.000 0.452 526 A N 0.463 123.264 122.820 -0.031 0.000 1.908 526 A HA -0.179 4.144 4.320 0.006 0.000 0.218 526 A C 2.271 179.864 177.584 0.015 0.000 1.181 526 A CA 1.600 53.633 52.037 -0.006 0.000 0.627 526 A CB -0.779 18.227 19.000 0.010 0.000 0.818 526 A HN 0.355 nan 8.150 nan 0.000 0.445 527 L N -1.015 120.179 121.223 -0.048 0.000 2.093 527 L HA -0.181 4.163 4.340 0.006 0.000 0.208 527 L C 2.604 179.529 176.870 0.091 0.000 1.085 527 L CA 1.588 56.355 54.840 -0.122 0.000 0.755 527 L CB -0.415 41.258 42.059 -0.643 0.000 0.904 527 L HN 0.363 nan 8.230 nan 0.000 0.435 528 K N 0.500 120.937 120.400 0.062 0.000 2.002 528 K HA -0.155 4.168 4.320 0.006 0.000 0.209 528 K C 2.061 178.719 176.600 0.096 0.000 1.048 528 K CA 1.828 58.192 56.287 0.128 0.000 0.930 528 K CB -0.225 32.311 32.500 0.060 0.000 0.714 528 K HN 0.400 nan 8.250 nan 0.000 0.438 529 I N -2.640 117.950 120.570 0.033 0.000 2.716 529 I HA 0.032 4.206 4.170 0.006 0.000 0.259 529 I C 2.125 178.225 176.117 -0.027 0.000 1.172 529 I CA 1.043 62.346 61.300 0.004 0.000 1.478 529 I CB -0.118 37.873 38.000 -0.014 0.000 1.104 529 I HN -0.083 nan 8.210 nan 0.000 0.439 530 A N 0.658 123.437 122.820 -0.068 0.000 1.943 530 A HA 0.227 4.551 4.320 0.006 0.000 0.213 530 A C 1.550 178.845 177.584 -0.482 0.000 1.181 530 A CA 0.742 52.603 52.037 -0.293 0.000 0.653 530 A CB -0.524 18.242 19.000 -0.390 0.000 0.833 530 A HN 0.481 nan 8.150 nan 0.000 0.451 531 F N -1.190 118.812 119.950 0.086 0.000 2.706 531 F HA 0.393 4.924 4.527 0.006 0.000 0.313 531 F C 1.612 177.559 175.800 0.245 0.000 1.096 531 F CA 0.226 58.312 58.000 0.145 0.000 1.219 531 F CB 0.612 39.628 39.000 0.026 0.000 1.051 531 F HN 0.311 nan 8.300 nan 0.000 0.568 532 G N 0.585 109.577 108.800 0.319 0.000 2.160 532 G HA2 -0.324 3.640 3.960 0.006 0.000 0.251 532 G HA3 -0.324 3.640 3.960 0.006 0.000 0.251 532 G C 0.192 175.242 174.900 0.251 0.000 1.008 532 G CA -0.474 44.764 45.100 0.230 0.000 0.724 532 G HN 0.132 nan 8.290 nan 0.000 0.514 533 F N 1.583 121.637 119.950 0.174 0.000 2.629 533 F HA 0.317 4.848 4.527 0.006 0.000 0.369 533 F C 1.216 177.063 175.800 0.079 0.000 1.125 533 F CA 0.576 58.656 58.000 0.133 0.000 1.330 533 F CB 0.487 39.527 39.000 0.067 0.000 1.071 533 F HN 0.491 nan 8.300 nan 0.000 0.595 534 N N 1.469 120.299 118.700 0.217 0.000 2.629 534 N HA 0.374 5.117 4.740 0.006 0.000 0.279 534 N C -1.746 173.847 175.510 0.139 0.000 1.344 534 N CA -0.979 52.154 53.050 0.138 0.000 0.789 534 N CB 1.827 40.356 38.487 0.071 0.000 1.508 534 N HN 0.644 nan 8.380 nan 0.000 0.516 535 E N -0.920 119.338 120.200 0.097 0.000 2.914 535 E HA 0.357 4.710 4.350 0.006 0.000 0.246 535 E C -2.211 174.428 176.600 0.064 0.000 1.146 535 E CA -1.525 54.928 56.400 0.090 0.000 0.803 535 E CB 1.226 30.977 29.700 0.085 0.000 1.409 535 E HN 0.343 nan 8.360 nan 0.000 0.392 536 P HA -0.027 nan 4.420 nan 0.000 0.218 536 P C 0.080 177.404 177.300 0.040 0.000 1.152 536 P CA 1.147 64.272 63.100 0.042 0.000 0.826 536 P CB 0.202 31.923 31.700 0.035 0.000 0.790 537 N N -1.469 117.258 118.700 0.045 0.000 2.785 537 N HA 0.449 5.192 4.740 0.006 0.000 0.224 537 N C 0.770 176.307 175.510 0.045 0.000 1.448 537 N CA 0.113 53.187 53.050 0.039 0.000 0.748 537 N CB -0.248 38.259 38.487 0.033 0.000 1.385 537 N HN 0.222 nan 8.380 nan 0.000 0.538 538 G N 0.033 108.861 108.800 0.048 0.000 2.245 538 G HA2 -0.230 3.733 3.960 0.006 0.000 0.264 538 G HA3 -0.230 3.733 3.960 0.006 0.000 0.264 538 G C 0.044 174.983 174.900 0.065 0.000 0.985 538 G CA 0.663 45.793 45.100 0.051 0.000 0.625 538 G HN 0.916 nan 8.290 nan 0.000 0.536 539 N N -0.536 118.211 118.700 0.078 0.000 2.454 539 N HA 0.509 5.253 4.740 0.006 0.000 0.291 539 N C -0.778 174.814 175.510 0.137 0.000 1.079 539 N CA -0.866 52.245 53.050 0.101 0.000 0.893 539 N CB 2.054 40.595 38.487 0.090 0.000 1.512 539 N HN 0.186 nan 8.380 nan 0.000 0.497 540 L N 2.177 123.503 121.223 0.171 0.000 2.499 540 L HA 0.112 4.456 4.340 0.006 0.000 0.273 540 L C -0.416 176.657 176.870 0.339 0.000 1.195 540 L CA 1.156 56.140 54.840 0.240 0.000 0.882 540 L CB 0.117 42.309 42.059 0.220 0.000 1.133 540 L HN 0.555 nan 8.230 nan 0.000 0.483 541 Q N 3.373 123.385 119.800 0.353 0.000 2.421 541 Q HA 0.320 4.663 4.340 0.006 0.000 0.280 541 Q C -1.858 174.186 176.000 0.074 0.000 1.085 541 Q CA -0.760 55.207 55.803 0.273 0.000 0.807 541 Q CB 2.738 31.560 28.738 0.140 0.000 1.405 541 Q HN 0.571 nan 8.270 nan 0.000 0.419 542 Y N 1.872 122.010 120.300 -0.270 0.000 2.376 542 Y HA 0.153 4.706 4.550 0.006 0.000 0.326 542 Y C -0.602 175.212 175.900 -0.144 0.000 0.970 542 Y CA -0.309 57.437 58.100 -0.589 0.000 1.248 542 Y CB 0.786 38.566 38.460 -1.134 0.000 1.117 542 Y HN 0.672 nan 8.280 nan 0.000 0.476 543 Q N 4.965 124.437 119.800 -0.548 0.000 2.431 543 Q HA -0.280 4.063 4.340 0.006 0.000 0.344 543 Q C 1.108 177.026 176.000 -0.138 0.000 1.384 543 Q CA 1.247 56.819 55.803 -0.386 0.000 0.984 543 Q CB -1.586 26.801 28.738 -0.585 0.000 1.204 543 Q HN 1.359 nan 8.270 nan 0.000 0.392 544 G N -0.435 108.330 108.800 -0.058 0.000 2.253 544 G HA2 -0.321 3.643 3.960 0.006 0.000 0.251 544 G HA3 -0.321 3.643 3.960 0.006 0.000 0.251 544 G C 0.076 175.010 174.900 0.057 0.000 0.998 544 G CA 0.451 45.553 45.100 0.004 0.000 0.621 544 G HN 0.302 nan 8.290 nan 0.000 0.524 545 K N 1.185 121.658 120.400 0.121 0.000 2.211 545 K HA 0.419 4.742 4.320 0.006 0.000 0.275 545 K C -0.453 176.315 176.600 0.279 0.000 1.024 545 K CA -0.621 55.773 56.287 0.180 0.000 0.887 545 K CB 1.345 34.001 32.500 0.260 0.000 1.084 545 K HN 0.285 nan 8.250 nan 0.000 0.463 546 D N 1.949 122.462 120.400 0.188 0.000 2.423 546 D HA -0.081 4.563 4.640 0.006 0.000 0.238 546 D C 1.184 177.719 176.300 0.391 0.000 1.142 546 D CA -0.022 54.115 54.000 0.228 0.000 0.884 546 D CB 0.650 41.513 40.800 0.106 0.000 1.199 546 D HN 0.380 nan 8.370 nan 0.000 0.438 547 I N 2.515 123.369 120.570 0.472 0.000 2.315 547 I HA -0.255 3.919 4.170 0.006 0.000 0.251 547 I C 2.164 178.547 176.117 0.443 0.000 1.125 547 I CA 1.983 63.643 61.300 0.601 0.000 1.392 547 I CB -0.755 37.521 38.000 0.460 0.000 1.065 547 I HN 0.724 nan 8.210 nan 0.000 0.424 548 T N -2.513 112.100 114.554 0.098 0.000 3.025 548 T HA -0.154 4.199 4.350 0.006 0.000 0.270 548 T C 1.473 176.052 174.700 -0.201 0.000 1.126 548 T CA 1.354 63.242 62.100 -0.353 0.000 1.105 548 T CB -0.721 67.885 68.868 -0.438 0.000 0.884 548 T HN 0.556 nan 8.240 nan 0.000 0.522 549 E N 0.014 120.141 120.200 -0.122 0.000 2.502 549 E HA 0.192 4.546 4.350 0.006 0.000 0.194 549 E C -0.651 175.649 176.600 -0.499 0.000 1.062 549 E CA 0.068 56.269 56.400 -0.331 0.000 0.867 549 E CB 0.010 29.450 29.700 -0.433 0.000 0.888 549 E HN 0.589 nan 8.360 nan 0.000 0.510 550 F N 1.310 121.297 119.950 0.061 0.000 2.532 550 F HA 0.204 4.734 4.527 0.006 0.000 0.321 550 F C 0.305 176.087 175.800 -0.030 0.000 1.089 550 F CA -1.697 56.318 58.000 0.024 0.000 0.926 550 F CB 1.195 40.221 39.000 0.044 0.000 1.168 550 F HN -0.177 nan 8.300 nan 0.000 0.459 551 D N 0.571 121.021 120.400 0.083 0.000 2.340 551 D HA 0.378 5.022 4.640 0.006 0.000 0.251 551 D C -1.229 174.902 176.300 -0.282 0.000 1.080 551 D CA -0.309 53.692 54.000 0.001 0.000 0.971 551 D CB 0.870 41.694 40.800 0.039 0.000 1.137 551 D HN 0.256 nan 8.370 nan 0.000 0.475 552 F N -0.137 119.737 119.950 -0.127 0.000 2.467 552 F HA 0.421 4.952 4.527 0.006 0.000 0.336 552 F C 0.059 175.482 175.800 -0.628 0.000 1.123 552 F CA -0.793 56.962 58.000 -0.408 0.000 0.964 552 F CB 1.712 40.428 39.000 -0.473 0.000 1.136 552 F HN 0.184 nan 8.300 nan 0.000 0.447 553 N N 2.348 120.720 118.700 -0.546 0.000 2.225 553 N HA 0.683 5.427 4.740 0.006 0.000 0.298 553 N C -1.671 173.522 175.510 -0.528 0.000 1.076 553 N CA -0.586 52.164 53.050 -0.501 0.000 0.792 553 N CB 2.014 40.378 38.487 -0.206 0.000 1.498 553 N HN 0.220 nan 8.380 nan 0.000 0.474 554 F N -0.237 119.740 119.950 0.045 0.000 2.603 554 F HA 0.355 4.885 4.527 0.006 0.000 0.317 554 F C 0.108 175.920 175.800 0.020 0.000 1.066 554 F CA -1.107 56.911 58.000 0.029 0.000 0.941 554 F CB 0.962 39.969 39.000 0.013 0.000 1.291 554 F HN 0.406 nan 8.300 nan 0.000 0.472 555 D N -0.466 120.061 120.400 0.212 0.000 2.384 555 D HA 0.099 4.743 4.640 0.006 0.000 0.244 555 D C 1.028 177.391 176.300 0.105 0.000 1.251 555 D CA -0.259 53.813 54.000 0.119 0.000 0.961 555 D CB 0.359 41.207 40.800 0.080 0.000 1.116 555 D HN 0.328 nan 8.370 nan 0.000 0.484 556 Q N -0.674 119.166 119.800 0.065 0.000 2.061 556 Q HA -0.202 4.141 4.340 0.006 0.000 0.204 556 Q C 2.082 178.097 176.000 0.025 0.000 0.984 556 Q CA 2.330 58.161 55.803 0.047 0.000 0.846 556 Q CB -0.602 28.155 28.738 0.032 0.000 0.902 556 Q HN 0.676 nan 8.270 nan 0.000 0.421 557 Q N -0.690 119.119 119.800 0.015 0.000 2.084 557 Q HA -0.086 4.258 4.340 0.006 0.000 0.202 557 Q C 2.140 178.118 176.000 -0.037 0.000 0.978 557 Q CA 2.147 57.945 55.803 -0.009 0.000 0.844 557 Q CB -1.415 27.319 28.738 -0.007 0.000 0.898 557 Q HN 0.555 nan 8.270 nan 0.000 0.426 558 T N 1.633 116.171 114.554 -0.028 0.000 2.777 558 T HA -0.125 4.229 4.350 0.006 0.000 0.266 558 T C 2.054 176.618 174.700 -0.227 0.000 1.040 558 T CA 1.615 63.651 62.100 -0.107 0.000 1.141 558 T CB -0.283 68.565 68.868 -0.033 0.000 0.868 558 T HN 0.478 nan 8.240 nan 0.000 0.444 559 S N 0.756 116.403 115.700 -0.088 0.000 2.368 559 S HA -0.202 4.272 4.470 0.006 0.000 0.225 559 S C 2.204 176.736 174.600 -0.112 0.000 1.030 559 S CA 1.702 59.854 58.200 -0.079 0.000 0.999 559 S CB -0.336 62.941 63.200 0.127 0.000 0.844 559 S HN 0.359 nan 8.310 nan 0.000 0.459 560 Q N 2.030 121.788 119.800 -0.070 0.000 2.084 560 Q HA -0.069 4.274 4.340 0.006 0.000 0.202 560 Q C 2.055 177.996 176.000 -0.098 0.000 0.978 560 Q CA 1.900 57.664 55.803 -0.064 0.000 0.844 560 Q CB -0.733 27.982 28.738 -0.038 0.000 0.898 560 Q HN 0.641 nan 8.270 nan 0.000 0.426 561 N N 0.061 118.686 118.700 -0.125 0.000 2.043 561 N HA -0.152 4.591 4.740 0.006 0.000 0.193 561 N C 1.604 177.006 175.510 -0.180 0.000 1.037 561 N CA 1.742 54.710 53.050 -0.136 0.000 0.851 561 N CB -0.176 38.227 38.487 -0.140 0.000 1.027 561 N HN 0.310 nan 8.380 nan 0.000 0.422 562 I N 1.471 121.869 120.570 -0.286 0.000 2.286 562 I HA -0.195 3.979 4.170 0.006 0.000 0.248 562 I C 2.473 178.463 176.117 -0.212 0.000 1.115 562 I CA 0.850 61.950 61.300 -0.334 0.000 1.392 562 I CB -0.988 36.624 38.000 -0.647 0.000 1.065 562 I HN 0.302 nan 8.210 nan 0.000 0.418 563 K N 1.249 121.551 120.400 -0.162 0.000 2.032 563 K HA -0.222 4.102 4.320 0.006 0.000 0.209 563 K C 1.853 178.407 176.600 -0.076 0.000 1.048 563 K CA 1.807 58.041 56.287 -0.089 0.000 0.927 563 K CB 0.024 32.493 32.500 -0.052 0.000 0.712 563 K HN 0.267 nan 8.250 nan 0.000 0.441 564 N N 0.973 119.626 118.700 -0.079 0.000 2.166 564 N HA -0.160 4.584 4.740 0.006 0.000 0.186 564 N C 1.774 177.244 175.510 -0.068 0.000 1.019 564 N CA 1.205 54.217 53.050 -0.063 0.000 0.856 564 N CB -0.226 38.226 38.487 -0.059 0.000 0.993 564 N HN 0.362 nan 8.380 nan 0.000 0.426 565 Q N 0.383 120.129 119.800 -0.090 0.000 2.084 565 Q HA -0.038 4.306 4.340 0.006 0.000 0.202 565 Q C 2.190 178.144 176.000 -0.076 0.000 0.978 565 Q CA 0.878 56.629 55.803 -0.087 0.000 0.844 565 Q CB -0.189 28.481 28.738 -0.113 0.000 0.898 565 Q HN 0.359 nan 8.270 nan 0.000 0.426 566 L N 0.123 121.296 121.223 -0.084 0.000 2.046 566 L HA -0.212 4.132 4.340 0.006 0.000 0.208 566 L C 2.526 179.370 176.870 -0.044 0.000 1.077 566 L CA 1.025 55.826 54.840 -0.065 0.000 0.747 566 L CB -0.588 41.432 42.059 -0.066 0.000 0.896 566 L HN 0.221 nan 8.230 nan 0.000 0.432 567 A N -0.606 122.190 122.820 -0.041 0.000 1.883 567 A HA -0.219 4.105 4.320 0.006 0.000 0.217 567 A C 2.248 179.816 177.584 -0.026 0.000 1.186 567 A CA 1.562 53.582 52.037 -0.028 0.000 0.624 567 A CB -0.427 18.557 19.000 -0.027 0.000 0.822 567 A HN 0.333 nan 8.150 nan 0.000 0.444 568 E N -0.067 120.113 120.200 -0.033 0.000 2.110 568 E HA -0.133 4.221 4.350 0.006 0.000 0.193 568 E C 1.824 178.408 176.600 -0.026 0.000 0.988 568 E CA 0.978 57.361 56.400 -0.029 0.000 0.804 568 E CB -0.291 29.389 29.700 -0.035 0.000 0.745 568 E HN 0.684 nan 8.360 nan 0.000 0.458 569 L N 0.896 122.101 121.223 -0.031 0.000 2.610 569 L HA -0.005 4.338 4.340 0.006 0.000 0.232 569 L C 0.203 177.063 176.870 -0.018 0.000 1.149 569 L CA 0.030 54.855 54.840 -0.026 0.000 0.872 569 L CB -0.387 41.652 42.059 -0.033 0.000 0.992 569 L HN 0.046 nan 8.230 nan 0.000 0.447 570 N N 0.287 118.978 118.700 -0.016 0.000 2.716 570 N HA -0.179 4.565 4.740 0.006 0.000 0.250 570 N C 0.020 175.526 175.510 -0.007 0.000 1.033 570 N CA 0.900 53.944 53.050 -0.010 0.000 0.727 570 N CB -0.871 37.613 38.487 -0.006 0.000 0.950 570 N HN 0.399 nan 8.380 nan 0.000 0.541 571 A N -0.212 122.601 122.820 -0.011 0.000 2.330 571 A HA 0.618 4.942 4.320 0.006 0.000 0.327 571 A C 1.226 178.808 177.584 -0.003 0.000 1.155 571 A CA 0.093 52.126 52.037 -0.007 0.000 0.803 571 A CB 0.906 19.895 19.000 -0.017 0.000 1.208 571 A HN 0.286 nan 8.150 nan 0.000 0.477 572 T N -1.249 113.312 114.554 0.011 0.000 3.023 572 T HA 0.190 4.544 4.350 0.006 0.000 0.253 572 T C 0.271 174.992 174.700 0.034 0.000 1.038 572 T CA 0.024 62.135 62.100 0.019 0.000 0.962 572 T CB -0.119 68.763 68.868 0.025 0.000 1.018 572 T HN 0.512 nan 8.240 nan 0.000 0.521 573 N N 0.677 119.400 118.700 0.038 0.000 2.519 573 N HA 0.312 5.056 4.740 0.006 0.000 0.286 573 N C 0.338 175.870 175.510 0.038 0.000 1.079 573 N CA -0.378 52.718 53.050 0.075 0.000 0.878 573 N CB 1.939 40.501 38.487 0.124 0.000 1.375 573 N HN 0.153 nan 8.380 nan 0.000 0.514 574 I N 3.415 123.959 120.570 -0.044 0.000 2.335 574 I HA -0.263 3.911 4.170 0.006 0.000 0.251 574 I C 0.860 176.882 176.117 -0.158 0.000 1.129 574 I CA 1.389 62.578 61.300 -0.184 0.000 1.402 574 I CB 0.145 37.924 38.000 -0.368 0.000 1.069 574 I HN 0.553 nan 8.210 nan 0.000 0.424 575 Y N 0.469 120.802 120.300 0.056 0.000 2.421 575 Y HA -0.182 4.372 4.550 0.006 0.000 0.292 575 Y C 2.690 178.628 175.900 0.063 0.000 1.136 575 Y CA 1.550 59.713 58.100 0.105 0.000 1.255 575 Y CB -0.641 37.909 38.460 0.150 0.000 0.991 575 Y HN 0.314 nan 8.280 nan 0.000 0.552 576 T N -3.439 111.216 114.554 0.169 0.000 3.107 576 T HA 0.092 4.445 4.350 0.006 0.000 0.249 576 T C 0.829 175.560 174.700 0.052 0.000 1.096 576 T CA 0.649 62.813 62.100 0.107 0.000 1.012 576 T CB -0.454 68.467 68.868 0.087 0.000 0.977 576 T HN 0.118 nan 8.240 nan 0.000 0.527 577 V N -1.373 118.552 119.914 0.018 0.000 2.925 577 V HA 0.498 4.622 4.120 0.006 0.000 0.361 577 V C 1.413 177.477 176.094 -0.050 0.000 1.361 577 V CA -0.522 61.768 62.300 -0.017 0.000 1.184 577 V CB -0.850 30.954 31.823 -0.031 0.000 1.245 577 V HN 0.309 nan 8.190 nan 0.000 0.575 578 L N 1.207 122.406 121.223 -0.039 0.000 2.131 578 L HA -0.103 4.241 4.340 0.006 0.000 0.210 578 L C 2.571 179.405 176.870 -0.061 0.000 1.092 578 L CA 2.171 56.968 54.840 -0.072 0.000 0.759 578 L CB -0.430 41.611 42.059 -0.029 0.000 0.903 578 L HN 0.627 nan 8.230 nan 0.000 0.435 579 D N -0.002 120.378 120.400 -0.034 0.000 2.348 579 D HA -0.173 4.471 4.640 0.006 0.000 0.216 579 D C 1.420 177.695 176.300 -0.042 0.000 0.970 579 D CA 0.834 54.814 54.000 -0.033 0.000 0.889 579 D CB 0.021 40.811 40.800 -0.016 0.000 0.912 579 D HN 0.390 nan 8.370 nan 0.000 0.524 580 K N -0.309 120.062 120.400 -0.049 0.000 2.380 580 K HA 0.190 4.513 4.320 0.006 0.000 0.198 580 K C 0.416 176.975 176.600 -0.070 0.000 1.070 580 K CA -0.400 55.856 56.287 -0.051 0.000 1.040 580 K CB 1.348 33.824 32.500 -0.041 0.000 0.903 580 K HN 0.061 nan 8.250 nan 0.000 0.549 581 I N 2.595 123.110 120.570 -0.092 0.000 2.352 581 I HA 0.125 4.299 4.170 0.006 0.000 0.290 581 I C -0.065 175.990 176.117 -0.103 0.000 1.036 581 I CA -0.342 60.886 61.300 -0.119 0.000 1.336 581 I CB 0.742 38.640 38.000 -0.170 0.000 1.407 581 I HN -0.129 nan 8.210 nan 0.000 0.497 582 K N 6.106 126.449 120.400 -0.096 0.000 2.183 582 K HA 0.536 4.859 4.320 0.006 0.000 0.274 582 K C -0.487 176.063 176.600 -0.083 0.000 1.009 582 K CA -0.335 55.906 56.287 -0.077 0.000 0.888 582 K CB 1.250 33.712 32.500 -0.062 0.000 1.078 582 K HN 0.425 nan 8.250 nan 0.000 0.459 583 L N 2.803 123.988 121.223 -0.063 0.000 2.375 583 L HA 0.373 4.717 4.340 0.006 0.000 0.271 583 L C -0.053 176.793 176.870 -0.041 0.000 1.107 583 L CA -0.463 54.345 54.840 -0.053 0.000 0.806 583 L CB 1.185 43.228 42.059 -0.027 0.000 1.146 583 L HN 0.708 nan 8.230 nan 0.000 0.447 584 N N 0.200 118.877 118.700 -0.039 0.000 2.265 584 N HA 0.546 5.289 4.740 0.006 0.000 0.300 584 N C -0.658 174.844 175.510 -0.014 0.000 1.148 584 N CA -0.755 52.278 53.050 -0.028 0.000 0.772 584 N CB 1.902 40.367 38.487 -0.037 0.000 1.434 584 N HN 0.722 nan 8.380 nan 0.000 0.481 585 A N 1.136 123.952 122.820 -0.007 0.000 2.586 585 A HA 0.023 4.346 4.320 0.006 0.000 0.231 585 A C 0.564 178.147 177.584 -0.000 0.000 1.055 585 A CA 0.669 52.706 52.037 0.000 0.000 0.756 585 A CB -0.177 18.823 19.000 0.001 0.000 0.988 585 A HN 0.983 nan 8.150 nan 0.000 0.509 586 K N -0.628 119.776 120.400 0.007 0.000 3.547 586 K HA -0.190 4.134 4.320 0.006 0.000 0.309 586 K C 0.102 176.712 176.600 0.017 0.000 1.324 586 K CA 1.467 57.760 56.287 0.010 0.000 0.988 586 K CB -1.859 30.643 32.500 0.005 0.000 1.261 586 K HN 0.795 nan 8.250 nan 0.000 0.444 587 M N 1.417 121.027 119.600 0.015 0.000 2.250 587 M HA 0.048 4.531 4.480 0.006 0.000 0.325 587 M C 0.240 176.579 176.300 0.064 0.000 1.084 587 M CA 0.780 56.095 55.300 0.026 0.000 1.161 587 M CB 0.282 32.886 32.600 0.007 0.000 1.481 587 M HN 0.041 nan 8.290 nan 0.000 0.449 588 N N 3.585 122.342 118.700 0.095 0.000 2.346 588 N HA 0.578 5.321 4.740 0.006 0.000 0.289 588 N C -1.432 174.196 175.510 0.197 0.000 1.027 588 N CA -0.322 52.801 53.050 0.122 0.000 0.864 588 N CB 2.088 40.632 38.487 0.096 0.000 1.370 588 N HN 0.525 nan 8.380 nan 0.000 0.481 589 I N 2.014 122.700 120.570 0.193 0.000 2.499 589 I HA 0.333 4.506 4.170 0.006 0.000 0.288 589 I C -1.032 175.142 176.117 0.095 0.000 1.048 589 I CA -0.898 60.541 61.300 0.233 0.000 1.062 589 I CB 2.402 40.584 38.000 0.303 0.000 1.238 589 I HN 0.204 nan 8.210 nan 0.000 0.426 590 L N 8.202 129.420 121.223 -0.008 0.000 2.333 590 L HA 0.661 5.005 4.340 0.006 0.000 0.280 590 L C -1.229 175.554 176.870 -0.145 0.000 1.004 590 L CA -0.095 54.703 54.840 -0.070 0.000 0.820 590 L CB 1.333 43.338 42.059 -0.091 0.000 1.247 590 L HN 0.424 nan 8.230 nan 0.000 0.416 591 I N 5.581 126.066 120.570 -0.142 0.000 2.439 591 I HA 0.513 4.687 4.170 0.006 0.000 0.285 591 I C -0.445 175.613 176.117 -0.098 0.000 1.021 591 I CA -0.583 60.611 61.300 -0.178 0.000 1.091 591 I CB 1.438 39.313 38.000 -0.208 0.000 1.242 591 I HN 0.589 nan 8.210 nan 0.000 0.439 592 R N 3.361 123.820 120.500 -0.069 0.000 2.686 592 R HA 0.288 4.632 4.340 0.006 0.000 0.286 592 R C -0.887 175.570 176.300 0.262 0.000 0.969 592 R CA -1.044 55.033 56.100 -0.038 0.000 0.898 592 R CB 2.039 32.069 30.300 -0.449 0.000 1.183 592 R HN 0.469 nan 8.270 nan 0.000 0.456 593 D N 2.302 122.934 120.400 0.387 0.000 2.520 593 D HA -0.069 4.574 4.640 0.006 0.000 0.243 593 D C 0.324 176.754 176.300 0.216 0.000 1.160 593 D CA 0.699 54.838 54.000 0.231 0.000 0.877 593 D CB 0.885 41.889 40.800 0.341 0.000 1.150 593 D HN 0.416 nan 8.370 nan 0.000 0.494 594 K N 3.090 123.484 120.400 -0.009 0.000 2.362 594 K HA -0.069 4.255 4.320 0.006 0.000 0.200 594 K C 1.796 178.317 176.600 -0.132 0.000 1.046 594 K CA 0.426 56.705 56.287 -0.013 0.000 0.952 594 K CB 0.286 32.742 32.500 -0.073 0.000 0.753 594 K HN 0.364 nan 8.250 nan 0.000 0.466 595 R N -0.222 120.074 120.500 -0.340 0.000 2.237 595 R HA -0.031 4.313 4.340 0.006 0.000 0.219 595 R C 0.179 175.962 176.300 -0.861 0.000 1.080 595 R CA 0.792 56.466 56.100 -0.710 0.000 0.995 595 R CB 0.055 29.669 30.300 -1.142 0.000 0.875 595 R HN 0.007 nan 8.270 nan 0.000 0.462 599 D N -0.171 120.317 120.400 0.147 0.000 2.447 599 D HA 0.239 4.883 4.640 0.006 0.000 0.265 599 D C 1.306 177.660 176.300 0.090 0.000 1.250 599 D CA -0.413 53.639 54.000 0.087 0.000 1.046 599 D CB 0.532 41.360 40.800 0.047 0.000 1.095 599 D HN 0.361 nan 8.370 nan 0.000 0.555 600 R N -0.553 119.980 120.500 0.054 0.000 2.237 600 R HA -0.016 4.327 4.340 0.006 0.000 0.219 600 R C 1.033 177.355 176.300 0.037 0.000 1.080 600 R CA 1.332 57.457 56.100 0.042 0.000 0.995 600 R CB -2.117 28.200 30.300 0.028 0.000 0.875 600 R HN 0.650 nan 8.270 nan 0.000 0.462 601 N N 1.091 119.816 118.700 0.042 0.000 2.398 601 N HA 0.140 4.884 4.740 0.006 0.000 0.188 601 N C -0.384 175.149 175.510 0.039 0.000 1.122 601 N CA 0.258 53.329 53.050 0.035 0.000 0.866 601 N CB 0.119 38.625 38.487 0.031 0.000 0.970 601 N HN 0.374 nan 8.380 nan 0.000 0.462 602 N N 0.536 119.273 118.700 0.061 0.000 2.741 602 N HA -0.184 4.560 4.740 0.006 0.000 0.250 602 N C -0.836 174.765 175.510 0.151 0.000 1.115 602 N CA 0.789 53.876 53.050 0.062 0.000 0.724 602 N CB -1.272 37.174 38.487 -0.068 0.000 1.090 602 N HN 0.384 nan 8.380 nan 0.000 0.558 603 I N 0.760 121.425 120.570 0.157 0.000 2.428 603 I HA 0.314 4.487 4.170 0.006 0.000 0.289 603 I C 1.141 177.352 176.117 0.156 0.000 1.019 603 I CA -0.591 60.788 61.300 0.131 0.000 1.351 603 I CB 1.199 39.228 38.000 0.048 0.000 1.412 603 I HN 0.080 nan 8.210 nan 0.000 0.513 604 A N 5.785 128.633 122.820 0.047 0.000 2.451 604 A HA 0.388 4.711 4.320 0.006 0.000 0.266 604 A C 0.671 178.137 177.584 -0.197 0.000 1.119 604 A CA -0.269 51.611 52.037 -0.262 0.000 0.786 604 A CB 0.223 18.970 19.000 -0.422 0.000 1.061 604 A HN 0.772 nan 8.150 nan 0.000 0.503 605 V N 0.304 120.108 119.914 -0.184 0.000 3.398 605 V HA 0.668 4.792 4.120 0.006 0.000 0.298 605 V C 0.532 176.580 176.094 -0.077 0.000 1.496 605 V CA 0.632 62.871 62.300 -0.101 0.000 1.044 605 V CB -0.462 31.326 31.823 -0.057 0.000 0.880 605 V HN 1.545 nan 8.190 nan 0.000 0.443 606 G N -0.719 108.039 108.800 -0.071 0.000 2.427 606 G HA2 0.862 4.826 3.960 0.006 0.000 0.306 606 G HA3 0.862 4.826 3.960 0.006 0.000 0.306 606 G C -1.376 173.553 174.900 0.048 0.000 1.280 606 G CA 0.167 45.259 45.100 -0.012 0.000 0.837 606 G HN 1.410 nan 8.290 nan 0.000 0.482 607 A N -0.474 122.350 122.820 0.007 0.000 2.597 607 A HA 0.656 4.979 4.320 0.006 0.000 0.292 607 A C -1.021 176.530 177.584 -0.054 0.000 1.057 607 A CA 0.160 52.169 52.037 -0.048 0.000 0.674 607 A CB 0.997 19.952 19.000 -0.075 0.000 1.278 607 A HN 1.741 nan 8.150 nan 0.000 0.416 608 D N 0.500 120.852 120.400 -0.080 0.000 2.378 608 D HA 0.192 4.836 4.640 0.006 0.000 0.238 608 D C 0.732 177.006 176.300 -0.044 0.000 1.180 608 D CA 0.321 54.288 54.000 -0.056 0.000 0.895 608 D CB 0.523 41.287 40.800 -0.061 0.000 1.192 608 D HN 0.538 nan 8.370 nan 0.000 0.438 609 E N 0.658 120.843 120.200 -0.025 0.000 2.110 609 E HA -0.169 4.185 4.350 0.006 0.000 0.193 609 E C 1.872 178.463 176.600 -0.016 0.000 0.988 609 E CA 1.141 57.535 56.400 -0.011 0.000 0.804 609 E CB -0.075 29.625 29.700 0.000 0.000 0.745 609 E HN 0.479 nan 8.360 nan 0.000 0.458 610 S N 0.529 116.212 115.700 -0.028 0.000 2.368 610 S HA -0.121 4.352 4.470 0.006 0.000 0.225 610 S C 2.241 176.817 174.600 -0.041 0.000 1.030 610 S CA 0.816 58.998 58.200 -0.031 0.000 0.999 610 S CB -0.128 63.051 63.200 -0.035 0.000 0.844 610 S HN 0.064 nan 8.310 nan 0.000 0.459 611 V N 1.526 121.402 119.914 -0.064 0.000 2.287 611 V HA -0.159 3.964 4.120 0.006 0.000 0.248 611 V C 2.320 178.384 176.094 -0.050 0.000 1.053 611 V CA 1.585 63.832 62.300 -0.087 0.000 1.027 611 V CB -0.767 30.959 31.823 -0.161 0.000 0.646 611 V HN 0.336 nan 8.190 nan 0.000 0.447 612 V N -0.303 119.594 119.914 -0.028 0.000 2.295 612 V HA -0.292 3.832 4.120 0.006 0.000 0.246 612 V C 2.413 178.523 176.094 0.027 0.000 1.049 612 V CA 2.174 64.480 62.300 0.010 0.000 1.024 612 V CB -0.765 31.068 31.823 0.017 0.000 0.648 612 V HN 0.529 nan 8.190 nan 0.000 0.447 613 K N 0.034 120.444 120.400 0.017 0.000 2.009 613 K HA -0.272 4.051 4.320 0.006 0.000 0.210 613 K C 2.230 178.841 176.600 0.017 0.000 1.049 613 K CA 1.985 58.285 56.287 0.022 0.000 0.929 613 K CB -0.271 32.234 32.500 0.008 0.000 0.714 613 K HN 0.452 nan 8.250 nan 0.000 0.440 614 E N 1.216 121.416 120.200 0.001 0.000 2.118 614 E HA -0.137 4.217 4.350 0.006 0.000 0.195 614 E C 0.462 177.068 176.600 0.009 0.000 0.992 614 E CA 1.110 57.508 56.400 -0.003 0.000 0.804 614 E CB -0.115 29.573 29.700 -0.019 0.000 0.741 614 E HN 0.336 nan 8.360 nan 0.000 0.458 618 E N 2.021 122.241 120.200 0.033 0.000 1.936 618 E HA 0.383 4.736 4.350 0.006 0.000 0.267 618 E C -0.933 175.684 176.600 0.029 0.000 1.076 618 E CA -0.038 56.378 56.400 0.027 0.000 0.870 618 E CB 0.728 30.439 29.700 0.018 0.000 1.093 618 E HN 0.080 nan 8.360 nan 0.000 0.411 619 V N 6.830 126.770 119.914 0.044 0.000 2.383 619 V HA 0.084 4.208 4.120 0.006 0.000 0.275 619 V C 1.126 177.235 176.094 0.025 0.000 1.036 619 V CA -0.535 61.789 62.300 0.041 0.000 0.889 619 V CB 1.148 33.039 31.823 0.114 0.000 0.985 619 V HN 0.768 nan 8.190 nan 0.000 0.459 620 I N 2.869 123.441 120.570 0.002 0.000 2.339 620 I HA 0.093 4.267 4.170 0.006 0.000 0.245 620 I C 0.987 177.105 176.117 0.003 0.000 1.096 620 I CA 1.180 62.481 61.300 0.002 0.000 1.408 620 I CB -0.392 37.605 38.000 -0.005 0.000 1.092 620 I HN 0.683 nan 8.210 nan 0.000 0.423 621 N N 0.435 119.129 118.700 -0.011 0.000 2.484 621 N HA 0.224 4.967 4.740 0.006 0.000 0.269 621 N C -1.339 174.141 175.510 -0.051 0.000 1.237 621 N CA -0.030 53.013 53.050 -0.011 0.000 0.838 621 N CB 2.605 41.086 38.487 -0.010 0.000 1.593 621 N HN 0.068 nan 8.380 nan 0.000 0.485 622 S N 0.375 116.060 115.700 -0.026 0.000 2.569 622 S HA 0.852 5.326 4.470 0.006 0.000 0.280 622 S C -0.706 173.884 174.600 -0.016 0.000 1.111 622 S CA -0.452 57.703 58.200 -0.077 0.000 0.887 622 S CB 1.761 64.979 63.200 0.030 0.000 1.095 622 S HN 0.774 nan 8.310 nan 0.000 0.476 623 S N -0.262 115.415 115.700 -0.039 0.000 2.703 623 S HA 0.496 4.970 4.470 0.006 0.000 0.273 623 S C 0.708 175.372 174.600 0.106 0.000 1.178 623 S CA -0.106 58.114 58.200 0.034 0.000 0.838 623 S CB 0.318 63.528 63.200 0.016 0.000 1.178 623 S HN 1.415 nan 8.310 nan 0.000 0.494 624 T N -1.351 113.283 114.554 0.134 0.000 3.098 624 T HA 0.087 4.441 4.350 0.006 0.000 0.266 624 T C 0.956 175.813 174.700 0.263 0.000 1.145 624 T CA 1.321 63.553 62.100 0.219 0.000 1.092 624 T CB -0.604 68.347 68.868 0.139 0.000 0.908 624 T HN 0.659 nan 8.240 nan 0.000 0.526 625 E N 0.692 120.949 120.200 0.095 0.000 2.276 625 E HA 0.405 4.758 4.350 0.006 0.000 0.193 625 E C 1.174 177.586 176.600 -0.313 0.000 0.983 625 E CA 0.246 56.669 56.400 0.037 0.000 0.861 625 E CB 0.374 30.120 29.700 0.077 0.000 0.817 625 E HN 0.695 nan 8.360 nan 0.000 0.485 626 G N 0.298 108.581 108.800 -0.862 0.000 2.343 626 G HA2 0.242 4.205 3.960 0.006 0.000 0.289 626 G HA3 0.242 4.205 3.960 0.006 0.000 0.289 626 G C -1.842 172.285 174.900 -1.289 0.000 1.295 626 G CA -1.034 42.910 45.100 -1.927 0.000 0.869 626 G HN -0.019 nan 8.290 nan 0.000 0.522 627 L N -0.084 120.382 121.223 -1.262 0.000 2.346 627 L HA 0.736 5.080 4.340 0.006 0.000 0.276 627 L C -0.882 175.705 176.870 -0.472 0.000 1.006 627 L CA -0.992 53.414 54.840 -0.723 0.000 0.817 627 L CB 1.902 43.539 42.059 -0.704 0.000 1.272 627 L HN 0.465 nan 8.230 nan 0.000 0.421 628 L N 4.392 125.496 121.223 -0.198 0.000 2.316 628 L HA 0.638 4.982 4.340 0.006 0.000 0.280 628 L C -1.085 175.743 176.870 -0.070 0.000 1.006 628 L CA -0.093 54.722 54.840 -0.041 0.000 0.836 628 L CB 1.219 43.306 42.059 0.045 0.000 1.221 628 L HN 0.360 nan 8.230 nan 0.000 0.418 629 L N 3.953 125.135 121.223 -0.069 0.000 2.350 629 L HA 0.575 4.919 4.340 0.006 0.000 0.260 629 L C -0.100 176.760 176.870 -0.016 0.000 1.015 629 L CA -0.570 54.243 54.840 -0.045 0.000 0.821 629 L CB 1.651 43.674 42.059 -0.060 0.000 1.370 629 L HN 0.452 nan 8.230 nan 0.000 0.416 630 N N 1.577 120.276 118.700 -0.001 0.000 2.437 630 N HA 0.577 5.321 4.740 0.006 0.000 0.259 630 N C -1.534 173.988 175.510 0.019 0.000 0.983 630 N CA -0.218 52.837 53.050 0.009 0.000 0.937 630 N CB 0.948 39.440 38.487 0.009 0.000 1.122 630 N HN 0.495 nan 8.380 nan 0.000 0.499 631 I N 1.723 122.310 120.570 0.028 0.000 2.447 631 I HA 0.119 4.292 4.170 0.006 0.000 0.287 631 I C 0.345 176.491 176.117 0.049 0.000 1.023 631 I CA -0.904 60.424 61.300 0.046 0.000 1.083 631 I CB 1.899 39.939 38.000 0.067 0.000 1.245 631 I HN 0.358 nan 8.210 nan 0.000 0.434 632 D N 6.704 127.136 120.400 0.053 0.000 2.629 632 D HA -0.097 4.546 4.640 0.006 0.000 0.228 632 D C 1.172 177.511 176.300 0.065 0.000 1.127 632 D CA 0.443 54.478 54.000 0.059 0.000 0.855 632 D CB 1.201 42.042 40.800 0.069 0.000 1.180 632 D HN 0.718 nan 8.370 nan 0.000 0.484 633 K N 3.336 123.767 120.400 0.051 0.000 2.103 633 K HA -0.202 4.122 4.320 0.006 0.000 0.207 633 K C 0.893 177.509 176.600 0.026 0.000 1.048 633 K CA 1.232 57.541 56.287 0.037 0.000 0.930 633 K CB 0.048 32.564 32.500 0.027 0.000 0.716 633 K HN 0.310 nan 8.250 nan 0.000 0.444 634 D N 1.374 121.804 120.400 0.050 0.000 2.144 634 D HA -0.067 4.576 4.640 0.006 0.000 0.200 634 D C 2.095 178.403 176.300 0.012 0.000 0.978 634 D CA 0.822 54.820 54.000 -0.005 0.000 0.833 634 D CB -0.043 40.819 40.800 0.104 0.000 0.961 634 D HN 0.198 nan 8.370 nan 0.000 0.470 635 I N 1.137 121.808 120.570 0.169 0.000 2.252 635 I HA -0.182 3.992 4.170 0.006 0.000 0.245 635 I C 2.289 178.458 176.117 0.086 0.000 1.102 635 I CA 0.897 62.318 61.300 0.200 0.000 1.385 635 I CB -0.606 37.494 38.000 0.166 0.000 1.064 635 I HN 0.009 nan 8.210 nan 0.000 0.414 636 R N 0.802 121.339 120.500 0.061 0.000 2.127 636 R HA -0.205 4.138 4.340 0.006 0.000 0.238 636 R C 2.189 178.489 176.300 -0.001 0.000 1.134 636 R CA 1.161 57.289 56.100 0.047 0.000 0.975 636 R CB -0.351 29.982 30.300 0.054 0.000 0.865 636 R HN 0.330 nan 8.270 nan 0.000 0.447 637 K N 1.479 121.852 120.400 -0.046 0.000 2.211 637 K HA -0.112 4.212 4.320 0.006 0.000 0.203 637 K C 1.616 178.153 176.600 -0.106 0.000 1.050 637 K CA 1.084 57.317 56.287 -0.089 0.000 0.945 637 K CB 0.070 32.479 32.500 -0.150 0.000 0.732 637 K HN 0.259 nan 8.250 nan 0.000 0.451 638 I N -1.351 119.158 120.570 -0.102 0.000 3.875 638 I HA 0.204 4.378 4.170 0.006 0.000 0.329 638 I C -0.356 175.726 176.117 -0.058 0.000 1.295 638 I CA -0.314 60.932 61.300 -0.089 0.000 1.129 638 I CB 0.250 38.208 38.000 -0.069 0.000 1.008 638 I HN -0.169 nan 8.210 nan 0.000 0.413 639 L N 1.066 122.252 121.223 -0.062 0.000 2.322 639 L HA 0.450 4.794 4.340 0.006 0.000 0.279 639 L C 1.293 178.113 176.870 -0.083 0.000 1.036 639 L CA -0.371 54.407 54.840 -0.103 0.000 0.807 639 L CB 1.806 43.763 42.059 -0.172 0.000 1.226 639 L HN 0.264 nan 8.230 nan 0.000 0.433 640 S N 0.104 115.750 115.700 -0.091 0.000 2.503 640 S HA 0.435 4.909 4.470 0.006 0.000 0.217 640 S C 0.637 175.208 174.600 -0.048 0.000 0.999 640 S CA 0.232 58.401 58.200 -0.051 0.000 0.914 640 S CB 0.440 63.622 63.200 -0.029 0.000 0.782 640 S HN 0.991 nan 8.310 nan 0.000 0.520 641 G N -0.627 108.091 108.800 -0.136 0.000 2.345 641 G HA2 0.408 4.371 3.960 0.006 0.000 0.285 641 G HA3 0.408 4.371 3.960 0.006 0.000 0.285 641 G C -2.178 172.530 174.900 -0.320 0.000 1.297 641 G CA -0.963 44.084 45.100 -0.089 0.000 0.875 641 G HN 0.205 nan 8.290 nan 0.000 0.506 642 Y N -1.080 119.263 120.300 0.071 0.000 2.553 642 Y HA 0.748 5.302 4.550 0.006 0.000 0.347 642 Y C 0.198 176.161 175.900 0.105 0.000 1.019 642 Y CA -0.811 57.344 58.100 0.091 0.000 1.032 642 Y CB 2.438 40.947 38.460 0.081 0.000 1.284 642 Y HN 0.481 nan 8.280 nan 0.000 0.466 643 I N 2.770 123.517 120.570 0.294 0.000 2.406 643 I HA 0.463 4.636 4.170 0.006 0.000 0.290 643 I C -1.087 175.189 176.117 0.266 0.000 0.999 643 I CA -0.981 60.454 61.300 0.224 0.000 1.124 643 I CB 1.538 39.620 38.000 0.137 0.000 1.289 643 I HN 0.220 nan 8.210 nan 0.000 0.441 644 V N 5.818 125.813 119.914 0.135 0.000 2.435 644 V HA 0.467 4.591 4.120 0.006 0.000 0.290 644 V C -0.156 175.941 176.094 0.006 0.000 1.030 644 V CA -0.520 61.772 62.300 -0.014 0.000 0.881 644 V CB 1.580 33.271 31.823 -0.220 0.000 0.983 644 V HN 0.773 nan 8.190 nan 0.000 0.445 645 E N 4.151 124.359 120.200 0.013 0.000 2.331 645 E HA 0.582 4.935 4.350 0.006 0.000 0.275 645 E C -1.775 174.819 176.600 -0.009 0.000 0.895 645 E CA -0.791 55.635 56.400 0.043 0.000 0.753 645 E CB 2.381 32.188 29.700 0.177 0.000 1.216 645 E HN 0.641 nan 8.360 nan 0.000 0.434 646 I N 3.083 123.648 120.570 -0.008 0.000 2.354 646 I HA 0.259 4.432 4.170 0.006 0.000 0.292 646 I C -0.171 175.920 176.117 -0.044 0.000 0.989 646 I CA -0.525 60.774 61.300 -0.002 0.000 1.188 646 I CB 1.640 39.670 38.000 0.051 0.000 1.342 646 I HN 0.517 nan 8.210 nan 0.000 0.457 647 E N 6.236 126.388 120.200 -0.079 0.000 2.133 647 E HA 0.189 4.542 4.350 0.006 0.000 0.274 647 E C -1.018 175.363 176.600 -0.364 0.000 0.930 647 E CA -0.796 55.511 56.400 -0.154 0.000 0.770 647 E CB 1.166 30.818 29.700 -0.079 0.000 1.104 647 E HN 0.629 nan 8.360 nan 0.000 0.403 648 D N 2.392 122.455 120.400 -0.562 0.000 2.414 648 D HA -0.035 4.608 4.640 0.006 0.000 0.251 648 D C 1.163 177.177 176.300 -0.475 0.000 1.252 648 D CA 0.023 53.379 54.000 -1.073 0.000 0.999 648 D CB 0.570 40.791 40.800 -0.964 0.000 1.093 648 D HN 0.442 nan 8.370 nan 0.000 0.515 649 T N -2.171 112.198 114.554 -0.308 0.000 2.803 649 T HA -0.175 4.178 4.350 0.006 0.000 0.269 649 T C 1.161 175.830 174.700 -0.051 0.000 1.052 649 T CA 1.329 63.401 62.100 -0.047 0.000 1.136 649 T CB -0.371 68.556 68.868 0.099 0.000 0.864 649 T HN 0.433 nan 8.240 nan 0.000 0.467 650 E N 0.911 121.068 120.200 -0.072 0.000 2.489 650 E HA 0.387 4.741 4.350 0.006 0.000 0.193 650 E C 1.534 178.101 176.600 -0.055 0.000 1.057 650 E CA 0.533 56.906 56.400 -0.045 0.000 0.866 650 E CB -0.140 29.541 29.700 -0.031 0.000 0.916 650 E HN 0.655 nan 8.360 nan 0.000 0.500 651 G N 0.040 108.790 108.800 -0.084 0.000 2.163 651 G HA2 -0.213 3.750 3.960 0.006 0.000 0.213 651 G HA3 -0.213 3.750 3.960 0.006 0.000 0.213 651 G C -0.007 174.850 174.900 -0.071 0.000 0.991 651 G CA -0.315 44.743 45.100 -0.069 0.000 0.653 651 G HN 0.142 nan 8.290 nan 0.000 0.518 652 L N 0.174 121.341 121.223 -0.092 0.000 2.371 652 L HA 0.506 4.849 4.340 0.006 0.000 0.272 652 L C 0.536 177.350 176.870 -0.094 0.000 1.124 652 L CA 0.117 54.910 54.840 -0.078 0.000 0.816 652 L CB 1.101 43.119 42.059 -0.070 0.000 1.129 652 L HN 0.094 nan 8.230 nan 0.000 0.448 653 K N 2.156 122.520 120.400 -0.060 0.000 2.292 653 K HA 0.303 4.627 4.320 0.006 0.000 0.257 653 K C -0.662 175.921 176.600 -0.030 0.000 0.940 653 K CA -0.539 55.721 56.287 -0.045 0.000 0.811 653 K CB 2.297 34.783 32.500 -0.023 0.000 1.120 653 K HN 0.443 nan 8.250 nan 0.000 0.428 654 E N 3.506 123.695 120.200 -0.019 0.000 2.081 654 E HA 0.155 4.508 4.350 0.006 0.000 0.276 654 E C -0.989 175.616 176.600 0.008 0.000 0.950 654 E CA -0.646 55.756 56.400 0.003 0.000 0.776 654 E CB 1.006 30.722 29.700 0.027 0.000 1.094 654 E HN 0.242 nan 8.360 nan 0.000 0.402 655 V N 7.071 126.988 119.914 0.004 0.000 2.432 655 V HA 0.035 4.159 4.120 0.006 0.000 0.271 655 V C 1.436 177.539 176.094 0.016 0.000 1.046 655 V CA -0.318 61.987 62.300 0.007 0.000 0.945 655 V CB 0.890 32.708 31.823 -0.009 0.000 0.992 655 V HN 0.806 nan 8.190 nan 0.000 0.471 656 I N 3.831 124.412 120.570 0.019 0.000 2.339 656 I HA -0.011 4.163 4.170 0.006 0.000 0.245 656 I C 1.268 177.420 176.117 0.059 0.000 1.096 656 I CA 1.089 62.409 61.300 0.033 0.000 1.408 656 I CB -0.433 37.572 38.000 0.009 0.000 1.092 656 I HN 0.827 nan 8.210 nan 0.000 0.423 657 N N 1.339 120.079 118.700 0.066 0.000 3.194 657 N HA 0.018 4.761 4.740 0.006 0.000 0.271 657 N C -0.483 175.026 175.510 -0.002 0.000 1.308 657 N CA -0.172 52.917 53.050 0.064 0.000 1.042 657 N CB 0.200 38.778 38.487 0.152 0.000 1.310 657 N HN 0.009 nan 8.380 nan 0.000 0.502 658 D N 1.051 121.444 120.400 -0.011 0.000 2.896 658 D HA 0.221 4.865 4.640 0.006 0.000 0.240 658 D C -0.690 175.594 176.300 -0.025 0.000 1.193 658 D CA -0.041 53.951 54.000 -0.015 0.000 0.983 658 D CB -0.086 40.711 40.800 -0.005 0.000 1.074 658 D HN 0.348 nan 8.370 nan 0.000 0.496 659 R N 0.442 120.908 120.500 -0.056 0.000 2.566 659 R HA 0.091 4.435 4.340 0.006 0.000 0.271 659 R C 0.519 176.776 176.300 -0.072 0.000 1.071 659 R CA -0.810 55.256 56.100 -0.055 0.000 0.915 659 R CB 0.920 31.132 30.300 -0.147 0.000 1.228 659 R HN 0.211 nan 8.270 nan 0.000 0.449 660 Y N 0.887 121.139 120.300 -0.079 0.000 2.384 660 Y HA -0.136 4.418 4.550 0.006 0.000 0.289 660 Y C 1.040 176.899 175.900 -0.069 0.000 1.152 660 Y CA 1.653 59.712 58.100 -0.067 0.000 1.258 660 Y CB 0.045 38.471 38.460 -0.058 0.000 0.979 660 Y HN 0.521 nan 8.280 nan 0.000 0.549 661 D N -0.259 119.598 120.400 -0.905 0.000 2.368 661 D HA 0.053 4.697 4.640 0.006 0.000 0.218 661 D C 0.704 176.725 176.300 -0.466 0.000 1.112 661 D CA 0.126 53.686 54.000 -0.733 0.000 0.834 661 D CB -0.372 39.881 40.800 -0.912 0.000 0.953 661 D HN 0.556 nan 8.370 nan 0.000 0.505 662 M N 0.404 119.727 119.600 -0.461 0.000 2.692 662 M HA 0.280 4.764 4.480 0.006 0.000 0.372 662 M C 0.689 176.849 176.300 -0.233 0.000 1.192 662 M CA -0.077 54.782 55.300 -0.734 0.000 0.928 662 M CB 0.989 32.993 32.600 -0.993 0.000 1.366 662 M HN -0.072 nan 8.290 nan 0.000 0.517 663 L N 0.651 121.841 121.223 -0.055 0.000 2.585 663 L HA 0.092 4.436 4.340 0.006 0.000 0.226 663 L C 0.955 177.925 176.870 0.166 0.000 1.113 663 L CA 0.061 54.949 54.840 0.078 0.000 0.876 663 L CB -0.345 41.732 42.059 0.030 0.000 1.072 663 L HN 0.458 nan 8.230 nan 0.000 0.468 664 N N 2.171 120.984 118.700 0.189 0.000 3.103 664 N HA -0.007 4.736 4.740 0.006 0.000 0.305 664 N C 0.621 176.263 175.510 0.220 0.000 1.232 664 N CA 0.079 53.241 53.050 0.188 0.000 1.190 664 N CB -0.023 38.551 38.487 0.144 0.000 1.461 664 N HN 0.548 nan 8.380 nan 0.000 0.538 665 I N -3.000 117.702 120.570 0.221 0.000 4.018 665 I HA 0.214 4.388 4.170 0.006 0.000 0.337 665 I C 0.101 176.253 176.117 0.057 0.000 1.327 665 I CA -0.620 60.760 61.300 0.133 0.000 1.100 665 I CB 0.064 38.158 38.000 0.157 0.000 1.025 665 I HN 0.141 nan 8.210 nan 0.000 0.396 666 S N 1.412 117.183 115.700 0.117 0.000 2.565 666 S HA 0.795 5.269 4.470 0.006 0.000 0.290 666 S C 0.024 174.671 174.600 0.077 0.000 1.150 666 S CA -0.090 58.147 58.200 0.060 0.000 1.058 666 S CB 1.670 64.969 63.200 0.165 0.000 1.032 666 S HN 0.463 nan 8.310 nan 0.000 0.510 667 S N 1.558 117.299 115.700 0.069 0.000 2.556 667 S HA 0.637 5.111 4.470 0.006 0.000 0.271 667 S C -1.304 173.332 174.600 0.061 0.000 1.135 667 S CA -0.960 57.280 58.200 0.068 0.000 0.858 667 S CB 1.129 64.370 63.200 0.069 0.000 1.114 667 S HN 0.918 nan 8.310 nan 0.000 0.468 668 L N 2.490 123.737 121.223 0.041 0.000 2.264 668 L HA 0.562 4.906 4.340 0.006 0.000 0.289 668 L C 0.218 177.096 176.870 0.013 0.000 1.044 668 L CA -0.301 54.556 54.840 0.029 0.000 0.807 668 L CB 0.712 42.785 42.059 0.024 0.000 1.192 668 L HN 0.767 nan 8.230 nan 0.000 0.425 669 R N 3.377 123.881 120.500 0.007 0.000 2.577 669 R HA 0.198 4.541 4.340 0.006 0.000 0.269 669 R C 0.657 176.947 176.300 -0.017 0.000 1.084 669 R CA -0.545 55.545 56.100 -0.016 0.000 1.163 669 R CB 0.450 30.731 30.300 -0.030 0.000 1.100 669 R HN 0.670 nan 8.270 nan 0.000 0.547 670 Q N 0.848 120.632 119.800 -0.026 0.000 2.291 670 Q HA -0.145 4.199 4.340 0.006 0.000 0.205 670 Q C 0.733 176.721 176.000 -0.020 0.000 0.970 670 Q CA 1.376 57.165 55.803 -0.022 0.000 0.876 670 Q CB 0.043 28.764 28.738 -0.027 0.000 0.935 670 Q HN 0.581 nan 8.270 nan 0.000 0.455 671 D N -1.242 119.145 120.400 -0.022 0.000 2.336 671 D HA 0.013 4.657 4.640 0.006 0.000 0.229 671 D C 1.149 177.443 176.300 -0.010 0.000 1.061 671 D CA 0.826 54.816 54.000 -0.018 0.000 0.875 671 D CB 0.013 40.799 40.800 -0.023 0.000 0.904 671 D HN 0.255 nan 8.370 nan 0.000 0.525 672 G N 0.066 108.863 108.800 -0.006 0.000 2.199 672 G HA2 -0.323 3.641 3.960 0.006 0.000 0.254 672 G HA3 -0.323 3.641 3.960 0.006 0.000 0.254 672 G C 0.234 175.138 174.900 0.006 0.000 0.982 672 G CA 0.281 45.382 45.100 0.002 0.000 0.632 672 G HN 0.497 nan 8.290 nan 0.000 0.529 673 K N 0.876 121.278 120.400 0.003 0.000 2.202 673 K HA 0.520 4.844 4.320 0.006 0.000 0.264 673 K C 0.002 176.613 176.600 0.018 0.000 1.010 673 K CA 0.082 56.373 56.287 0.007 0.000 0.940 673 K CB 0.788 33.289 32.500 0.002 0.000 0.983 673 K HN 0.082 nan 8.250 nan 0.000 0.475 674 T N 2.260 116.823 114.554 0.015 0.000 2.799 674 T HA 0.275 4.629 4.350 0.006 0.000 0.286 674 T C -1.034 173.679 174.700 0.021 0.000 0.973 674 T CA -0.409 61.700 62.100 0.015 0.000 1.035 674 T CB 0.149 69.011 68.868 -0.010 0.000 0.932 674 T HN 0.292 nan 8.240 nan 0.000 0.469 675 F N 4.238 124.108 119.950 -0.133 0.000 2.427 675 F HA 0.616 5.147 4.527 0.006 0.000 0.346 675 F C -0.749 174.918 175.800 -0.222 0.000 1.120 675 F CA -1.527 56.360 58.000 -0.189 0.000 1.033 675 F CB 0.602 39.505 39.000 -0.162 0.000 1.126 675 F HN 0.428 nan 8.300 nan 0.000 0.462 676 I N 5.597 125.597 120.570 -0.950 0.000 2.307 676 I HA 0.169 4.343 4.170 0.006 0.000 0.289 676 I C -0.729 174.686 176.117 -1.170 0.000 1.021 676 I CA -0.596 60.213 61.300 -0.818 0.000 1.224 676 I CB 0.989 38.543 38.000 -0.744 0.000 1.376 676 I HN 0.451 nan 8.210 nan 0.000 0.470 677 D N 6.662 126.662 120.400 -0.667 0.000 2.380 677 D HA 0.153 4.797 4.640 0.006 0.000 0.230 677 D C 0.659 176.913 176.300 -0.076 0.000 1.154 677 D CA -0.258 53.486 54.000 -0.426 0.000 0.859 677 D CB 0.640 41.445 40.800 0.008 0.000 1.045 677 D HN 0.224 nan 8.370 nan 0.000 0.495 678 F N 2.484 122.317 119.950 -0.196 0.000 2.407 678 F HA 0.037 4.567 4.527 0.006 0.000 0.299 678 F C 2.089 177.876 175.800 -0.022 0.000 1.097 678 F CA 0.530 58.478 58.000 -0.087 0.000 1.422 678 F CB -0.348 38.606 39.000 -0.077 0.000 1.067 678 F HN 0.368 nan 8.300 nan 0.000 0.539 679 K N 0.307 120.802 120.400 0.159 0.000 2.167 679 K HA -0.122 4.202 4.320 0.006 0.000 0.203 679 K C 2.054 178.666 176.600 0.020 0.000 1.052 679 K CA 0.507 56.852 56.287 0.097 0.000 0.956 679 K CB -0.077 32.470 32.500 0.078 0.000 0.735 679 K HN 0.137 nan 8.250 nan 0.000 0.451 680 K N 0.500 120.864 120.400 -0.060 0.000 2.034 680 K HA -0.191 4.133 4.320 0.006 0.000 0.214 680 K C 0.638 177.008 176.600 -0.382 0.000 1.051 680 K CA 1.680 57.793 56.287 -0.290 0.000 0.931 680 K CB -0.034 32.185 32.500 -0.469 0.000 0.715 680 K HN 0.107 nan 8.250 nan 0.000 0.446 681 Y N -0.550 119.785 120.300 0.059 0.000 2.720 681 Y HA 0.217 4.770 4.550 0.006 0.000 0.277 681 Y C 0.146 176.073 175.900 0.045 0.000 1.144 681 Y CA -0.489 57.636 58.100 0.043 0.000 1.221 681 Y CB 0.293 38.773 38.460 0.033 0.000 1.163 681 Y HN 0.080 nan 8.280 nan 0.000 0.537 682 N N 0.907 119.693 118.700 0.143 0.000 2.467 682 N HA 0.077 4.820 4.740 0.006 0.000 0.278 682 N C -0.499 175.061 175.510 0.084 0.000 1.306 682 N CA 0.135 53.252 53.050 0.112 0.000 0.905 682 N CB -0.050 38.503 38.487 0.110 0.000 1.236 682 N HN 0.100 nan 8.380 nan 0.000 0.509 683 D N 1.163 121.612 120.400 0.081 0.000 2.837 683 D HA -0.226 4.418 4.640 0.006 0.000 0.230 683 D C -0.437 175.887 176.300 0.041 0.000 1.152 683 D CA 1.064 55.098 54.000 0.057 0.000 0.736 683 D CB -0.902 39.928 40.800 0.050 0.000 1.084 683 D HN 0.552 nan 8.370 nan 0.000 0.429 684 K N -2.341 118.079 120.400 0.035 0.000 3.341 684 K HA -0.215 4.109 4.320 0.006 0.000 0.305 684 K C -0.079 176.545 176.600 0.040 0.000 1.270 684 K CA 1.003 57.304 56.287 0.024 0.000 0.897 684 K CB -1.315 31.192 32.500 0.011 0.000 1.264 684 K HN 0.430 nan 8.250 nan 0.000 0.468 685 L N 1.140 122.397 121.223 0.058 0.000 2.334 685 L HA 0.471 4.814 4.340 0.006 0.000 0.276 685 L C -1.932 174.998 176.870 0.100 0.000 1.014 685 L CA -2.382 52.500 54.840 0.070 0.000 0.815 685 L CB 1.193 43.291 42.059 0.065 0.000 1.268 685 L HN -0.192 nan 8.230 nan 0.000 0.428 686 P HA 0.042 nan 4.420 nan 0.000 0.270 686 P C -0.586 176.809 177.300 0.158 0.000 1.223 686 P CA -0.270 62.914 63.100 0.140 0.000 0.785 686 P CB 0.502 32.274 31.700 0.120 0.000 0.923 687 L N 1.274 122.603 121.223 0.176 0.000 2.540 687 L HA 0.009 4.353 4.340 0.006 0.000 0.276 687 L C 0.667 177.631 176.870 0.157 0.000 1.212 687 L CA 0.033 54.958 54.840 0.141 0.000 0.893 687 L CB -0.593 41.515 42.059 0.083 0.000 1.138 687 L HN 0.402 nan 8.230 nan 0.000 0.491 688 Y N 4.983 125.313 120.300 0.050 0.000 2.383 688 Y HA 0.430 4.983 4.550 0.006 0.000 0.344 688 Y C -0.032 175.890 175.900 0.037 0.000 0.986 688 Y CA -0.506 57.617 58.100 0.037 0.000 1.175 688 Y CB 0.517 38.996 38.460 0.031 0.000 1.152 688 Y HN 0.337 nan 8.280 nan 0.000 0.511 689 I N 6.430 126.718 120.570 -0.470 0.000 2.330 689 I HA 0.131 4.305 4.170 0.006 0.000 0.286 689 I C 0.818 176.506 176.117 -0.715 0.000 1.025 689 I CA -0.275 60.795 61.300 -0.383 0.000 1.197 689 I CB 1.489 39.383 38.000 -0.177 0.000 1.358 689 I HN 0.748 nan 8.210 nan 0.000 0.467 690 S N 3.598 118.864 115.700 -0.723 0.000 2.496 690 S HA -0.006 4.468 4.470 0.006 0.000 0.224 690 S C 0.545 174.801 174.600 -0.573 0.000 0.996 690 S CA 0.011 57.833 58.200 -0.630 0.000 0.927 690 S CB -0.220 62.831 63.200 -0.249 0.000 0.774 690 S HN 0.784 nan 8.310 nan 0.000 0.524 691 N N 0.527 118.744 118.700 -0.805 0.000 2.336 691 N HA 0.392 5.136 4.740 0.006 0.000 0.290 691 N C -2.874 172.458 175.510 -0.298 0.000 1.058 691 N CA -1.821 50.926 53.050 -0.504 0.000 0.865 691 N CB 1.815 39.982 38.487 -0.533 0.000 1.581 691 N HN -0.267 nan 8.380 nan 0.000 0.480 692 P HA -0.049 nan 4.420 nan 0.000 0.225 692 P C 0.176 177.580 177.300 0.173 0.000 1.148 692 P CA 0.885 64.020 63.100 0.059 0.000 0.779 692 P CB 0.172 31.955 31.700 0.139 0.000 0.780 693 N N -1.936 116.875 118.700 0.185 0.000 2.467 693 N HA -0.042 4.702 4.740 0.006 0.000 0.184 693 N C 0.353 176.005 175.510 0.236 0.000 1.106 693 N CA 0.409 53.594 53.050 0.225 0.000 0.892 693 N CB -0.347 38.267 38.487 0.212 0.000 0.969 693 N HN 0.182 nan 8.380 nan 0.000 0.454 694 Y N 1.868 122.164 120.300 -0.008 0.000 2.550 694 Y HA 0.058 4.612 4.550 0.006 0.000 0.343 694 Y C 1.045 176.907 175.900 -0.063 0.000 1.245 694 Y CA -0.274 57.808 58.100 -0.030 0.000 1.462 694 Y CB 0.316 38.755 38.460 -0.034 0.000 1.340 694 Y HN -0.247 nan 8.280 nan 0.000 0.604 695 K N 1.321 121.754 120.400 0.055 0.000 2.164 695 K HA 0.578 4.902 4.320 0.006 0.000 0.258 695 K C -1.273 175.327 176.600 -0.000 0.000 0.951 695 K CA -0.934 55.342 56.287 -0.018 0.000 0.844 695 K CB 1.828 34.290 32.500 -0.062 0.000 1.099 695 K HN 0.245 nan 8.250 nan 0.000 0.435 696 V N 3.032 122.950 119.914 0.006 0.000 2.350 696 V HA 0.182 4.305 4.120 0.006 0.000 0.276 696 V C -0.516 175.607 176.094 0.049 0.000 1.028 696 V CA -0.782 61.531 62.300 0.021 0.000 0.860 696 V CB 0.637 32.507 31.823 0.077 0.000 0.990 696 V HN 0.752 nan 8.190 nan 0.000 0.453 697 N N 3.256 121.947 118.700 -0.015 0.000 2.399 697 N HA 0.715 5.458 4.740 0.006 0.000 0.295 697 N C -1.186 174.246 175.510 -0.130 0.000 1.048 697 N CA -0.605 52.383 53.050 -0.104 0.000 0.886 697 N CB 2.516 40.919 38.487 -0.139 0.000 1.185 697 N HN 0.414 nan 8.380 nan 0.000 0.487 698 V N 2.482 122.290 119.914 -0.177 0.000 2.588 698 V HA 0.414 4.537 4.120 0.006 0.000 0.304 698 V C -1.234 174.754 176.094 -0.177 0.000 1.042 698 V CA -0.733 61.534 62.300 -0.054 0.000 0.877 698 V CB 0.738 32.602 31.823 0.069 0.000 0.996 698 V HN 0.579 nan 8.190 nan 0.000 0.425 699 Y N 1.970 122.379 120.300 0.181 0.000 2.446 699 Y HA 0.777 5.331 4.550 0.006 0.000 0.345 699 Y C 0.449 176.442 175.900 0.155 0.000 0.984 699 Y CA -0.740 57.447 58.100 0.144 0.000 1.058 699 Y CB 1.988 40.489 38.460 0.068 0.000 1.220 699 Y HN 0.738 nan 8.280 nan 0.000 0.455 700 A N 2.155 125.091 122.820 0.194 0.000 2.310 700 A HA 0.726 5.050 4.320 0.006 0.000 0.299 700 A C -1.031 176.497 177.584 -0.093 0.000 1.147 700 A CA -0.592 51.364 52.037 -0.136 0.000 0.818 700 A CB 0.477 19.410 19.000 -0.111 0.000 1.096 700 A HN 0.547 nan 8.150 nan 0.000 0.495 701 V N 2.943 122.740 119.914 -0.194 0.000 2.378 701 V HA 0.403 4.526 4.120 0.006 0.000 0.288 701 V C 0.652 176.675 176.094 -0.118 0.000 1.016 701 V CA -0.199 62.038 62.300 -0.105 0.000 0.840 701 V CB 1.297 33.075 31.823 -0.075 0.000 0.994 701 V HN 1.101 nan 8.190 nan 0.000 0.431 702 T N 1.567 116.076 114.554 -0.074 0.000 2.868 702 T HA 0.302 4.656 4.350 0.006 0.000 0.292 702 T C 1.111 175.780 174.700 -0.051 0.000 1.028 702 T CA -0.519 61.544 62.100 -0.061 0.000 1.059 702 T CB 1.164 70.009 68.868 -0.038 0.000 0.991 702 T HN 0.573 nan 8.240 nan 0.000 0.531 703 K N 0.828 121.199 120.400 -0.049 0.000 2.044 703 K HA -0.208 4.116 4.320 0.006 0.000 0.210 703 K C 2.376 178.957 176.600 -0.031 0.000 1.049 703 K CA 2.178 58.442 56.287 -0.039 0.000 0.927 703 K CB -0.211 32.264 32.500 -0.042 0.000 0.713 703 K HN 0.927 nan 8.250 nan 0.000 0.443 704 E N 0.599 120.779 120.200 -0.033 0.000 2.265 704 E HA -0.182 4.172 4.350 0.006 0.000 0.196 704 E C 0.762 177.346 176.600 -0.027 0.000 0.996 704 E CA 1.368 57.751 56.400 -0.027 0.000 0.832 704 E CB -0.260 29.424 29.700 -0.027 0.000 0.756 704 E HN 0.405 nan 8.360 nan 0.000 0.491 705 N N 0.068 118.751 118.700 -0.029 0.000 2.236 705 N HA 0.051 4.794 4.740 0.006 0.000 0.196 705 N C -0.695 174.799 175.510 -0.027 0.000 1.114 705 N CA -0.034 52.999 53.050 -0.029 0.000 0.859 705 N CB 0.882 39.351 38.487 -0.030 0.000 0.982 705 N HN -0.044 nan 8.380 nan 0.000 0.493 706 T N 1.746 116.287 114.554 -0.022 0.000 2.832 706 T HA 0.200 4.553 4.350 0.006 0.000 0.296 706 T C 0.170 174.869 174.700 -0.001 0.000 0.968 706 T CA -0.178 61.918 62.100 -0.007 0.000 1.107 706 T CB 0.931 69.797 68.868 -0.002 0.000 0.916 706 T HN -0.019 nan 8.240 nan 0.000 0.517 707 I N 5.071 125.652 120.570 0.018 0.000 2.371 707 I HA 0.210 4.384 4.170 0.006 0.000 0.290 707 I C 1.299 177.466 176.117 0.084 0.000 1.028 707 I CA -0.392 60.908 61.300 -0.001 0.000 1.345 707 I CB 0.806 38.793 38.000 -0.022 0.000 1.407 707 I HN 0.710 nan 8.210 nan 0.000 0.501 708 I N 2.527 123.095 120.570 -0.003 0.000 4.082 708 I HA 0.359 4.533 4.170 0.006 0.000 0.337 708 I C -0.005 176.093 176.117 -0.033 0.000 1.352 708 I CA -0.159 61.188 61.300 0.078 0.000 1.097 708 I CB 0.148 38.164 38.000 0.027 0.000 1.048 708 I HN 0.456 nan 8.210 nan 0.000 0.393 709 N N 0.604 119.069 118.700 -0.392 0.000 2.525 709 N HA 0.523 5.266 4.740 0.006 0.000 0.270 709 N C -2.871 172.113 175.510 -0.877 0.000 1.321 709 N CA -1.388 51.328 53.050 -0.556 0.000 0.797 709 N CB 1.878 40.169 38.487 -0.327 0.000 1.529 709 N HN -0.161 nan 8.380 nan 0.000 0.491 710 P HA 0.075 nan 4.420 nan 0.000 0.272 710 P C -0.404 176.714 177.300 -0.303 0.000 1.223 710 P CA -0.355 62.458 63.100 -0.479 0.000 0.784 710 P CB 0.436 31.994 31.700 -0.236 0.000 0.923 711 S N 0.038 115.604 115.700 -0.223 0.000 2.572 711 S HA 0.139 4.613 4.470 0.006 0.000 0.267 711 S C 1.746 176.273 174.600 -0.120 0.000 1.361 711 S CA 0.381 58.490 58.200 -0.152 0.000 1.009 711 S CB -0.275 62.859 63.200 -0.111 0.000 0.888 711 S HN 0.543 nan 8.310 nan 0.000 0.553 712 E N 1.837 121.978 120.200 -0.097 0.000 2.114 712 E HA -0.277 4.076 4.350 0.006 0.000 0.199 712 E C 1.524 178.086 176.600 -0.063 0.000 1.008 712 E CA 2.002 58.355 56.400 -0.078 0.000 0.810 712 E CB -1.517 28.145 29.700 -0.063 0.000 0.739 712 E HN 0.994 nan 8.360 nan 0.000 0.456 713 N N -1.068 117.598 118.700 -0.057 0.000 2.461 713 N HA 0.271 5.015 4.740 0.006 0.000 0.188 713 N C 1.446 176.931 175.510 -0.041 0.000 1.134 713 N CA 1.195 54.219 53.050 -0.043 0.000 0.878 713 N CB 0.625 39.090 38.487 -0.036 0.000 0.972 713 N HN 0.885 nan 8.380 nan 0.000 0.456 714 G N -0.643 108.124 108.800 -0.057 0.000 2.179 714 G HA2 -0.268 3.695 3.960 0.006 0.000 0.220 714 G HA3 -0.268 3.695 3.960 0.006 0.000 0.220 714 G C -0.503 174.370 174.900 -0.045 0.000 0.990 714 G CA -0.003 45.067 45.100 -0.049 0.000 0.646 714 G HN 0.584 nan 8.290 nan 0.000 0.517 715 D N 1.574 121.943 120.400 -0.052 0.000 2.434 715 D HA 0.388 5.031 4.640 0.006 0.000 0.252 715 D C 1.829 178.103 176.300 -0.043 0.000 1.185 715 D CA 0.985 54.963 54.000 -0.037 0.000 0.886 715 D CB 0.851 41.626 40.800 -0.042 0.000 1.148 715 D HN 0.385 nan 8.370 nan 0.000 0.483 716 T N -0.203 114.362 114.554 0.019 0.000 3.069 716 T HA 0.111 4.464 4.350 0.006 0.000 0.252 716 T C 1.067 175.860 174.700 0.155 0.000 1.053 716 T CA -0.083 62.089 62.100 0.119 0.000 0.964 716 T CB -0.194 68.803 68.868 0.215 0.000 1.005 716 T HN 0.290 nan 8.240 nan 0.000 0.532 717 S N 1.874 117.608 115.700 0.057 0.000 2.626 717 S HA 0.206 4.679 4.470 0.006 0.000 0.257 717 S C 1.415 176.036 174.600 0.035 0.000 1.288 717 S CA 0.190 58.411 58.200 0.036 0.000 0.980 717 S CB 0.565 63.768 63.200 0.005 0.000 0.975 717 S HN 0.468 nan 8.310 nan 0.000 0.577 718 T N -1.810 112.749 114.554 0.008 0.000 3.144 718 T HA 0.155 4.509 4.350 0.006 0.000 0.249 718 T C 0.536 175.213 174.700 -0.039 0.000 1.089 718 T CA -0.421 61.675 62.100 -0.008 0.000 0.989 718 T CB -0.838 68.016 68.868 -0.024 0.000 0.992 718 T HN 0.540 nan 8.240 nan 0.000 0.540 719 N N 2.133 120.811 118.700 -0.037 0.000 2.365 719 N HA 0.185 4.929 4.740 0.006 0.000 0.265 719 N C 1.507 176.984 175.510 -0.054 0.000 1.288 719 N CA 1.591 54.612 53.050 -0.049 0.000 0.869 719 N CB -0.125 38.338 38.487 -0.040 0.000 1.071 719 N HN 0.631 nan 8.380 nan 0.000 0.480 720 G N 3.160 111.921 108.800 -0.064 0.000 2.184 720 G HA2 -0.279 3.685 3.960 0.006 0.000 0.264 720 G HA3 -0.279 3.685 3.960 0.006 0.000 0.264 720 G C 0.448 175.310 174.900 -0.064 0.000 0.975 720 G CA 0.180 45.243 45.100 -0.062 0.000 0.642 720 G HN 0.634 nan 8.290 nan 0.000 0.536 721 I N 0.952 121.481 120.570 -0.068 0.000 2.648 721 I HA 0.121 4.294 4.170 0.006 0.000 0.284 721 I C 1.043 177.115 176.117 -0.074 0.000 1.153 721 I CA 0.117 61.379 61.300 -0.062 0.000 1.426 721 I CB 0.895 38.863 38.000 -0.052 0.000 1.381 721 I HN 0.082 nan 8.210 nan 0.000 0.571 722 K N 8.176 128.542 120.400 -0.056 0.000 2.316 722 K HA 0.219 4.542 4.320 0.006 0.000 0.289 722 K C -0.666 175.909 176.600 -0.043 0.000 1.070 722 K CA -0.398 55.860 56.287 -0.049 0.000 0.928 722 K CB 0.432 32.910 32.500 -0.035 0.000 1.039 722 K HN 0.574 nan 8.250 nan 0.000 0.480 723 K N 3.815 124.188 120.400 -0.045 0.000 2.477 723 K HA 0.456 4.780 4.320 0.006 0.000 0.255 723 K C -0.917 175.745 176.600 0.103 0.000 0.952 723 K CA -0.924 55.363 56.287 -0.001 0.000 0.826 723 K CB 1.423 33.879 32.500 -0.073 0.000 1.331 723 K HN 0.326 nan 8.250 nan 0.000 0.437 724 I N 2.569 123.243 120.570 0.173 0.000 2.355 724 I HA 0.163 4.337 4.170 0.006 0.000 0.288 724 I C -0.558 175.704 176.117 0.242 0.000 0.999 724 I CA -1.299 60.107 61.300 0.176 0.000 1.163 724 I CB 1.549 39.598 38.000 0.082 0.000 1.316 724 I HN 0.516 nan 8.210 nan 0.000 0.454 725 L N 8.412 129.766 121.223 0.218 0.000 2.534 725 L HA 0.092 4.436 4.340 0.006 0.000 0.271 725 L C 0.488 177.334 176.870 -0.040 0.000 1.178 725 L CA 0.696 55.492 54.840 -0.074 0.000 0.907 725 L CB 0.402 42.405 42.059 -0.093 0.000 1.164 725 L HN 0.682 nan 8.230 nan 0.000 0.482 726 I N 2.715 123.262 120.570 -0.038 0.000 4.327 726 I HA 0.490 4.664 4.170 0.006 0.000 0.331 726 I C -0.315 175.874 176.117 0.120 0.000 1.348 726 I CA -0.101 61.236 61.300 0.061 0.000 1.152 726 I CB -0.043 38.042 38.000 0.140 0.000 1.151 726 I HN 0.379 nan 8.210 nan 0.000 0.410 727 F N 0.656 120.527 119.950 -0.132 0.000 2.622 727 F HA 0.728 5.258 4.527 0.006 0.000 0.318 727 F C -1.195 174.510 175.800 -0.157 0.000 1.135 727 F CA -0.544 57.391 58.000 -0.109 0.000 1.015 727 F CB 1.604 40.565 39.000 -0.065 0.000 1.275 727 F HN -0.153 nan 8.300 nan 0.000 0.457 728 S N 6.283 121.575 115.700 -0.681 0.000 2.750 728 S HA 0.673 5.146 4.470 0.006 0.000 0.276 728 S C -1.848 172.359 174.600 -0.656 0.000 1.165 728 S CA -0.606 57.288 58.200 -0.511 0.000 1.047 728 S CB 0.673 63.702 63.200 -0.284 0.000 1.056 728 S HN 0.578 nan 8.310 nan 0.000 0.481 729 K N 3.008 123.072 120.400 -0.558 0.000 2.502 729 K HA 0.448 4.772 4.320 0.006 0.000 0.257 729 K C -0.788 175.661 176.600 -0.250 0.000 0.938 729 K CA -0.812 55.219 56.287 -0.426 0.000 0.819 729 K CB 1.907 34.142 32.500 -0.441 0.000 1.333 729 K HN 0.595 nan 8.250 nan 0.000 0.434 730 K N 0.004 120.202 120.400 -0.336 0.000 2.168 730 K HA 0.161 4.485 4.320 0.006 0.000 0.258 730 K C 1.496 177.910 176.600 -0.310 0.000 1.010 730 K CA 0.139 56.209 56.287 -0.362 0.000 0.929 730 K CB 0.530 32.633 32.500 -0.661 0.000 0.998 730 K HN 0.805 nan 8.250 nan 0.000 0.479 731 G N 1.208 109.910 108.800 -0.162 0.000 2.469 731 G HA2 -0.298 3.666 3.960 0.006 0.000 0.219 731 G HA3 -0.298 3.666 3.960 0.006 0.000 0.219 731 G C 1.331 176.204 174.900 -0.045 0.000 1.150 731 G CA 1.262 46.323 45.100 -0.064 0.000 0.763 731 G HN 0.815 nan 8.290 nan 0.000 0.561 732 Y N 0.222 120.524 120.300 0.003 0.000 2.574 732 Y HA 0.241 4.795 4.550 0.006 0.000 0.294 732 Y C 2.020 177.926 175.900 0.011 0.000 1.142 732 Y CA 0.936 59.036 58.100 0.000 0.000 1.314 732 Y CB -0.270 38.186 38.460 -0.007 0.000 0.991 732 Y HN 0.333 nan 8.280 nan 0.000 0.555 733 E N 0.471 120.531 120.200 -0.233 0.000 2.474 733 E HA 0.112 4.466 4.350 0.006 0.000 0.194 733 E C 0.435 177.035 176.600 0.001 0.000 1.041 733 E CA -0.121 56.218 56.400 -0.102 0.000 0.874 733 E CB 0.349 29.905 29.700 -0.241 0.000 0.914 733 E HN 0.360 nan 8.360 nan 0.000 0.498 734 I N 0.000 120.586 120.570 0.026 0.000 2.984 734 I HA 0.000 4.174 4.170 0.006 0.000 0.288 734 I CA 0.000 61.355 61.300 0.091 0.000 1.566 734 I CB 0.000 38.071 38.000 0.119 0.000 1.214 734 I HN 0.000 nan 8.210 nan 0.000 0.494