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 1tka_1_B DATA FIRST_RESID 3 DATA SEQUENCE QFTDIDKLAV STIRILAVDT VSKANSGHPG APLGMAPAAH VLWSQMRMNP DATA SEQUENCE TNPDWINRDR FVLSNGHAVA LLYSMLHLTG YDLSIEDLKQ FRQLGSRTPG DATA SEQUENCE HPEFELPGVE VTTGPLGQGI SNAVGMAMAQ ANLAATYNKP GFTLSDNYTY DATA SEQUENCE VFLGDGCLQE GISSEASSLA GHLKLGNLIA IYDDNKITID GATSISFDED DATA SEQUENCE VAKRYEAYGW EVLYVENGNE DLAGIAKAIA QAKLSKDKPT LIKMTTTIGY DATA SEQUENCE GSLHAGSHSV HGAPLKADDV KQLKSKFGFN PDKSFVVPQE VYDHYQKTIL DATA SEQUENCE KPGVEANNKW NKLFSEYQKK FPELGAELAR RLSGQLPANW ESKLPTYTAK DATA SEQUENCE DSAVATRKLS ETVLEDVYNQ LPELIGGSAD LTPSNLTRWK EALDFQPPSS DATA SEQUENCE GSGNYSGRYI RYGIREHAMG AIMNGISAFG ANYKPYGGTF LNFVSYAAGA DATA SEQUENCE VRLSALSGHP VIWVATHDSI GVGEDGPTHQ PIETLAHFRS LPNIQVWRPA DATA SEQUENCE DGNEVSAAYK NSLESKHTPS IIALSRQNLP QLEGSSIESA SKGGYVLQDV DATA SEQUENCE ANPDIILVAT GSEVSLSVEA AKTLAAKNIK ARVVSLPDFF TFDKQPLEYR DATA SEQUENCE LSVLPDNVPI MSVEVLATTC WGKYAHQSFG IDRFGASGKA PEVFKFFGFT DATA SEQUENCE PEGVAERAQK TIAFYKGDKL ISPLKKAF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.886 176.000 -0.191 0.000 1.003 3 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 3 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 4 F N 0.346 120.319 119.950 0.039 0.000 2.575 4 F HA 0.734 5.261 4.527 -0.000 0.000 0.330 4 F C 0.959 176.771 175.800 0.021 0.000 1.056 4 F CA -0.225 57.805 58.000 0.050 0.000 0.964 4 F CB 2.062 41.098 39.000 0.060 0.000 1.258 4 F HN 0.541 nan 8.300 nan 0.000 0.484 5 T N -3.510 111.149 114.554 0.175 0.000 2.669 5 T HA 0.288 4.638 4.350 -0.000 0.000 0.283 5 T C 0.262 174.976 174.700 0.023 0.000 1.019 5 T CA -0.680 61.460 62.100 0.067 0.000 1.039 5 T CB 1.166 70.045 68.868 0.018 0.000 1.374 5 T HN 0.330 nan 8.240 nan 0.000 0.523 6 D N -0.144 120.248 120.400 -0.014 0.000 2.172 6 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 6 D C 1.726 177.970 176.300 -0.093 0.000 0.999 6 D CA 0.936 54.911 54.000 -0.042 0.000 0.856 6 D CB -0.250 40.527 40.800 -0.039 0.000 0.934 6 D HN 0.425 nan 8.370 nan 0.000 0.453 7 I N 1.016 121.500 120.570 -0.144 0.000 2.439 7 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 7 I C 1.393 177.309 176.117 -0.335 0.000 1.139 7 I CA 1.323 62.463 61.300 -0.267 0.000 1.438 7 I CB -0.158 37.619 38.000 -0.371 0.000 1.085 7 I HN -0.104 nan 8.210 nan 0.000 0.427 8 D N 0.485 120.766 120.400 -0.198 0.000 2.144 8 D HA -0.176 4.463 4.640 -0.000 0.000 0.200 8 D C 1.952 178.094 176.300 -0.263 0.000 0.978 8 D CA 1.119 55.061 54.000 -0.096 0.000 0.833 8 D CB 0.057 41.074 40.800 0.361 0.000 0.961 8 D HN 0.456 nan 8.370 nan 0.000 0.470 9 K N 0.387 120.694 120.400 -0.156 0.000 2.103 9 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 9 K C 2.132 178.622 176.600 -0.182 0.000 1.052 9 K CA 0.215 56.402 56.287 -0.166 0.000 0.945 9 K CB -0.025 32.418 32.500 -0.095 0.000 0.722 9 K HN 0.004 nan 8.250 nan 0.000 0.443 10 L N 1.334 122.465 121.223 -0.153 0.000 2.093 10 L HA -0.074 4.265 4.340 -0.000 0.000 0.208 10 L C 2.211 179.002 176.870 -0.132 0.000 1.085 10 L CA 1.570 56.356 54.840 -0.090 0.000 0.755 10 L CB -0.565 41.441 42.059 -0.088 0.000 0.904 10 L HN 0.108 nan 8.230 nan 0.000 0.435 11 A N -0.961 121.696 122.820 -0.273 0.000 1.877 11 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 11 A C 2.255 179.665 177.584 -0.290 0.000 1.186 11 A CA 2.101 53.948 52.037 -0.317 0.000 0.620 11 A CB -1.163 17.538 19.000 -0.497 0.000 0.822 11 A HN 0.298 nan 8.150 nan 0.000 0.443 12 V N -0.052 119.630 119.914 -0.386 0.000 2.295 12 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 12 V C 2.811 178.720 176.094 -0.308 0.000 1.049 12 V CA 2.365 64.481 62.300 -0.306 0.000 1.024 12 V CB -0.920 30.718 31.823 -0.308 0.000 0.648 12 V HN 0.568 nan 8.190 nan 0.000 0.447 13 S N -0.155 115.346 115.700 -0.332 0.000 2.359 13 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 13 S C 2.083 176.445 174.600 -0.398 0.000 1.035 13 S CA 2.085 60.033 58.200 -0.421 0.000 1.018 13 S CB -0.542 62.529 63.200 -0.214 0.000 0.876 13 S HN 0.704 nan 8.310 nan 0.000 0.448 14 T N 2.578 117.006 114.554 -0.211 0.000 2.759 14 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 14 T C 1.697 176.296 174.700 -0.169 0.000 1.042 14 T CA 1.109 63.114 62.100 -0.159 0.000 1.140 14 T CB -0.415 68.462 68.868 0.014 0.000 0.864 14 T HN 0.340 nan 8.240 nan 0.000 0.455 15 I N 0.407 120.889 120.570 -0.147 0.000 2.252 15 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 15 I C 2.826 178.855 176.117 -0.147 0.000 1.102 15 I CA 1.222 62.451 61.300 -0.118 0.000 1.385 15 I CB -0.336 37.604 38.000 -0.099 0.000 1.064 15 I HN 0.135 nan 8.210 nan 0.000 0.414 16 R N 0.753 121.145 120.500 -0.181 0.000 2.073 16 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 16 R C 2.286 178.508 176.300 -0.130 0.000 1.134 16 R CA 1.439 57.458 56.100 -0.135 0.000 0.952 16 R CB -0.217 29.995 30.300 -0.148 0.000 0.850 16 R HN 0.327 nan 8.270 nan 0.000 0.433 17 I N 0.200 120.641 120.570 -0.216 0.000 2.500 17 I HA -0.191 3.979 4.170 -0.000 0.000 0.252 17 I C 2.073 178.032 176.117 -0.264 0.000 1.142 17 I CA 0.374 61.524 61.300 -0.249 0.000 1.451 17 I CB -0.059 37.680 38.000 -0.436 0.000 1.093 17 I HN 0.119 nan 8.210 nan 0.000 0.430 18 L N 1.284 122.366 121.223 -0.236 0.000 2.093 18 L HA -0.042 4.297 4.340 -0.000 0.000 0.208 18 L C 2.547 179.281 176.870 -0.227 0.000 1.085 18 L CA 1.947 56.647 54.840 -0.234 0.000 0.755 18 L CB -0.818 41.181 42.059 -0.099 0.000 0.904 18 L HN 0.177 nan 8.230 nan 0.000 0.435 19 A N -1.424 121.293 122.820 -0.171 0.000 1.972 19 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 19 A C 2.243 179.729 177.584 -0.162 0.000 1.169 19 A CA 1.818 53.757 52.037 -0.163 0.000 0.635 19 A CB -0.850 18.073 19.000 -0.129 0.000 0.810 19 A HN 0.292 nan 8.150 nan 0.000 0.446 20 V N 0.237 120.056 119.914 -0.158 0.000 2.488 20 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 20 V C 1.950 177.931 176.094 -0.188 0.000 1.046 20 V CA 1.960 64.179 62.300 -0.134 0.000 1.053 20 V CB -0.605 31.156 31.823 -0.104 0.000 0.679 20 V HN 0.466 nan 8.190 nan 0.000 0.458 21 D N 0.063 120.254 120.400 -0.348 0.000 2.219 21 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 21 D C 2.235 178.322 176.300 -0.354 0.000 0.970 21 D CA 1.642 55.327 54.000 -0.525 0.000 0.851 21 D CB -0.135 39.998 40.800 -1.111 0.000 0.943 21 D HN 0.408 nan 8.370 nan 0.000 0.488 22 T N 0.107 114.525 114.554 -0.226 0.000 2.857 22 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 22 T C 2.236 177.021 174.700 0.142 0.000 1.048 22 T CA 0.452 62.613 62.100 0.102 0.000 1.139 22 T CB -0.087 68.732 68.868 -0.082 0.000 0.874 22 T HN -0.015 nan 8.240 nan 0.000 0.455 23 V N 1.362 121.306 119.914 0.050 0.000 2.488 23 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 23 V C 2.684 178.864 176.094 0.143 0.000 1.046 23 V CA 1.461 63.866 62.300 0.175 0.000 1.053 23 V CB -0.562 31.312 31.823 0.086 0.000 0.679 23 V HN 0.419 nan 8.190 nan 0.000 0.458 24 S N 0.174 115.915 115.700 0.069 0.000 2.348 24 S HA -0.245 4.224 4.470 -0.000 0.000 0.221 24 S C 2.016 176.676 174.600 0.101 0.000 1.033 24 S CA 1.956 60.190 58.200 0.057 0.000 1.010 24 S CB -0.330 62.875 63.200 0.007 0.000 0.891 24 S HN 0.559 nan 8.310 nan 0.000 0.442 25 K N 2.185 122.680 120.400 0.159 0.000 2.103 25 K HA 0.024 4.344 4.320 -0.000 0.000 0.207 25 K C 1.806 178.507 176.600 0.168 0.000 1.048 25 K CA 1.430 57.834 56.287 0.194 0.000 0.930 25 K CB -0.547 32.154 32.500 0.335 0.000 0.716 25 K HN 0.260 nan 8.250 nan 0.000 0.444 26 A N 0.556 123.504 122.820 0.213 0.000 2.067 26 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 26 A C 0.642 178.265 177.584 0.065 0.000 1.156 26 A CA 0.850 52.974 52.037 0.146 0.000 0.683 26 A CB -0.523 18.594 19.000 0.194 0.000 0.808 26 A HN 0.667 nan 8.150 nan 0.000 0.455 27 N N -0.485 118.261 118.700 0.077 0.000 2.714 27 N HA -0.176 4.564 4.740 -0.000 0.000 0.253 27 N C -0.514 175.001 175.510 0.007 0.000 1.024 27 N CA 0.983 54.056 53.050 0.038 0.000 0.726 27 N CB -1.035 37.469 38.487 0.028 0.000 0.908 27 N HN 0.527 nan 8.380 nan 0.000 0.542 28 S N -0.793 114.911 115.700 0.007 0.000 2.596 28 S HA 0.611 5.081 4.470 -0.000 0.000 0.305 28 S C -0.377 174.197 174.600 -0.042 0.000 1.086 28 S CA 0.476 58.645 58.200 -0.052 0.000 0.909 28 S CB 1.167 64.312 63.200 -0.092 0.000 1.106 28 S HN 1.040 nan 8.310 nan 0.000 0.450 29 G N 3.318 112.019 108.800 -0.166 0.000 2.359 29 G HA2 0.272 4.232 3.960 -0.000 0.000 0.303 29 G HA3 0.272 4.232 3.960 -0.000 0.000 0.303 29 G C -2.101 172.524 174.900 -0.457 0.000 1.293 29 G CA -0.828 44.123 45.100 -0.248 0.000 0.964 29 G HN 0.974 nan 8.290 nan 0.000 0.531 30 H N 1.054 120.162 119.070 0.063 0.000 2.595 30 H HA 0.543 5.099 4.556 -0.000 0.000 0.313 30 H C -1.619 173.700 175.328 -0.015 0.000 1.023 30 H CA -1.524 54.504 56.048 -0.034 0.000 1.218 30 H CB 2.211 31.932 29.762 -0.068 0.000 1.403 30 H HN 0.351 nan 8.280 nan 0.000 0.477 31 P HA 0.045 nan 4.420 nan 0.000 0.236 31 P C 1.546 178.870 177.300 0.040 0.000 1.174 31 P CA 0.586 63.704 63.100 0.030 0.000 0.840 31 P CB 0.564 32.272 31.700 0.014 0.000 0.947 32 G N 1.016 109.854 108.800 0.063 0.000 2.402 32 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 32 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 32 G C 1.722 176.672 174.900 0.084 0.000 1.162 32 G CA 1.027 46.178 45.100 0.085 0.000 0.777 32 G HN 0.339 nan 8.290 nan 0.000 0.539 33 A N 1.308 124.178 122.820 0.084 0.000 1.930 33 A HA 0.228 4.548 4.320 -0.000 0.000 0.215 33 A C 0.663 178.252 177.584 0.008 0.000 1.176 33 A CA 1.446 53.514 52.037 0.052 0.000 0.632 33 A CB -0.956 18.071 19.000 0.044 0.000 0.819 33 A HN 0.328 nan 8.150 nan 0.000 0.445 34 P HA -0.235 nan 4.420 nan 0.000 0.216 34 P C 1.571 178.861 177.300 -0.017 0.000 1.167 34 P CA 1.195 64.281 63.100 -0.023 0.000 0.914 34 P CB -0.170 31.502 31.700 -0.047 0.000 0.793 35 L N -1.543 119.686 121.223 0.011 0.000 1.989 35 L HA -0.163 4.176 4.340 -0.000 0.000 0.211 35 L C 2.590 179.482 176.870 0.038 0.000 1.071 35 L CA 2.163 57.031 54.840 0.045 0.000 0.749 35 L CB -1.474 40.643 42.059 0.097 0.000 0.890 35 L HN 0.130 nan 8.230 nan 0.000 0.431 36 G N -1.252 107.567 108.800 0.032 0.000 2.430 36 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 36 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 36 G C 1.527 176.362 174.900 -0.108 0.000 1.146 36 G CA 0.150 45.232 45.100 -0.030 0.000 0.793 36 G HN 0.211 nan 8.290 nan 0.000 0.537 37 M N 0.907 120.453 119.600 -0.090 0.000 2.595 37 M HA 0.209 4.689 4.480 -0.000 0.000 0.248 37 M C 2.780 179.048 176.300 -0.052 0.000 1.119 37 M CA 0.381 55.606 55.300 -0.124 0.000 1.079 37 M CB 0.148 32.665 32.600 -0.137 0.000 1.472 37 M HN 0.314 nan 8.290 nan 0.000 0.501 38 A N 1.649 124.432 122.820 -0.062 0.000 1.917 38 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 38 A C -0.436 177.113 177.584 -0.058 0.000 1.182 38 A CA 1.556 53.556 52.037 -0.063 0.000 0.633 38 A CB -1.830 17.105 19.000 -0.108 0.000 0.819 38 A HN 0.300 nan 8.150 nan 0.000 0.448 39 P HA -0.124 nan 4.420 nan 0.000 0.215 39 P C 1.696 178.988 177.300 -0.013 0.000 1.153 39 P CA 2.005 65.045 63.100 -0.100 0.000 0.853 39 P CB -0.125 31.458 31.700 -0.196 0.000 0.788 40 A N -0.371 122.449 122.820 -0.000 0.000 1.968 40 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 40 A C 2.269 180.029 177.584 0.292 0.000 1.169 40 A CA 1.673 53.769 52.037 0.099 0.000 0.638 40 A CB -1.469 17.555 19.000 0.041 0.000 0.812 40 A HN 0.176 nan 8.150 nan 0.000 0.446 41 A N -0.635 122.380 122.820 0.325 0.000 1.877 41 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 41 A C 2.020 179.626 177.584 0.037 0.000 1.186 41 A CA 2.081 54.215 52.037 0.162 0.000 0.620 41 A CB -0.908 18.080 19.000 -0.021 0.000 0.822 41 A HN 0.718 nan 8.150 nan 0.000 0.443 42 H N -0.260 118.808 119.070 -0.003 0.000 2.290 42 H HA -0.110 4.445 4.556 -0.000 0.000 0.298 42 H C 1.917 177.351 175.328 0.177 0.000 1.087 42 H CA 2.261 58.363 56.048 0.090 0.000 1.291 42 H CB -0.364 29.453 29.762 0.091 0.000 1.369 42 H HN 0.112 nan 8.280 nan 0.000 0.492 43 V N 0.293 120.252 119.914 0.075 0.000 2.237 43 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 43 V C 2.669 178.792 176.094 0.048 0.000 1.046 43 V CA 1.751 64.096 62.300 0.075 0.000 1.007 43 V CB -0.889 30.952 31.823 0.031 0.000 0.638 43 V HN 0.397 nan 8.190 nan 0.000 0.445 44 L N -0.809 120.447 121.223 0.054 0.000 1.990 44 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 44 L C 2.098 178.885 176.870 -0.139 0.000 1.072 44 L CA 2.291 57.088 54.840 -0.071 0.000 0.755 44 L CB -0.756 41.286 42.059 -0.029 0.000 0.889 44 L HN 0.418 nan 8.230 nan 0.000 0.432 45 W N -0.282 120.832 121.300 -0.310 0.000 2.374 45 W HA -0.122 4.538 4.660 -0.000 0.000 0.288 45 W C 2.778 179.153 176.519 -0.240 0.000 1.218 45 W CA 1.556 58.703 57.345 -0.330 0.000 1.245 45 W CB -0.838 28.399 29.460 -0.371 0.000 1.126 45 W HN 0.117 nan 8.180 nan 0.000 0.545 46 S N -0.331 115.370 115.700 0.002 0.000 2.555 46 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 46 S C 1.332 175.905 174.600 -0.045 0.000 0.978 46 S CA 1.251 59.434 58.200 -0.028 0.000 0.934 46 S CB -0.237 62.920 63.200 -0.072 0.000 0.766 46 S HN 0.478 nan 8.310 nan 0.000 0.533 47 Q N -0.258 119.496 119.800 -0.077 0.000 2.139 47 Q HA 0.406 4.746 4.340 -0.000 0.000 0.219 47 Q C 0.092 176.045 176.000 -0.078 0.000 0.805 47 Q CA -0.040 55.721 55.803 -0.069 0.000 1.024 47 Q CB -0.208 28.493 28.738 -0.062 0.000 1.163 47 Q HN 0.300 nan 8.270 nan 0.000 0.485 48 M N 1.443 120.969 119.600 -0.124 0.000 2.250 48 M HA 0.337 4.817 4.480 -0.000 0.000 0.344 48 M C -0.036 176.254 176.300 -0.017 0.000 1.150 48 M CA -0.407 54.845 55.300 -0.080 0.000 1.147 48 M CB 1.170 33.633 32.600 -0.228 0.000 1.498 48 M HN 0.143 nan 8.290 nan 0.000 0.461 49 R N 5.484 126.011 120.500 0.044 0.000 2.310 49 R HA 0.678 5.018 4.340 -0.000 0.000 0.324 49 R C -1.683 174.682 176.300 0.108 0.000 0.955 49 R CA -0.154 56.007 56.100 0.102 0.000 0.830 49 R CB 0.810 31.189 30.300 0.130 0.000 1.154 49 R HN 0.956 nan 8.270 nan 0.000 0.458 50 M N 2.087 121.793 119.600 0.177 0.000 2.471 50 M HA 0.351 4.831 4.480 -0.000 0.000 0.284 50 M C -1.921 174.502 176.300 0.204 0.000 1.203 50 M CA -0.771 54.646 55.300 0.196 0.000 0.915 50 M CB 2.264 34.892 32.600 0.047 0.000 1.734 50 M HN 0.469 nan 8.290 nan 0.000 0.485 51 N N 2.838 121.677 118.700 0.232 0.000 2.511 51 N HA 0.412 5.152 4.740 -0.000 0.000 0.249 51 N C -2.316 173.121 175.510 -0.123 0.000 0.971 51 N CA -1.733 51.325 53.050 0.013 0.000 0.938 51 N CB 1.893 40.340 38.487 -0.066 0.000 1.131 51 N HN 0.381 nan 8.380 nan 0.000 0.505 52 P HA -0.096 nan 4.420 nan 0.000 0.220 52 P C 0.624 177.635 177.300 -0.482 0.000 1.144 52 P CA 1.336 63.924 63.100 -0.852 0.000 0.800 52 P CB 0.267 31.486 31.700 -0.801 0.000 0.772 53 T N -2.980 111.436 114.554 -0.230 0.000 3.088 53 T HA -0.011 4.339 4.350 -0.000 0.000 0.259 53 T C 0.743 175.408 174.700 -0.058 0.000 1.122 53 T CA 0.418 62.446 62.100 -0.119 0.000 1.095 53 T CB -0.431 68.379 68.868 -0.096 0.000 0.930 53 T HN 0.193 nan 8.240 nan 0.000 0.508 54 N N 1.045 119.721 118.700 -0.039 0.000 2.675 54 N HA 0.185 4.925 4.740 -0.000 0.000 0.254 54 N C -2.806 172.763 175.510 0.098 0.000 1.224 54 N CA -1.449 51.617 53.050 0.026 0.000 0.777 54 N CB 1.750 40.239 38.487 0.004 0.000 1.256 54 N HN -0.096 nan 8.380 nan 0.000 0.531 55 P HA 0.035 nan 4.420 nan 0.000 0.234 55 P C -0.085 177.268 177.300 0.088 0.000 1.167 55 P CA 0.792 63.994 63.100 0.170 0.000 0.763 55 P CB 0.324 32.149 31.700 0.208 0.000 0.835 56 D N -3.259 117.182 120.400 0.068 0.000 2.398 56 D HA 0.008 4.648 4.640 -0.000 0.000 0.210 56 D C 0.112 176.412 176.300 -0.001 0.000 1.094 56 D CA -0.242 53.766 54.000 0.013 0.000 0.839 56 D CB -0.221 40.590 40.800 0.018 0.000 0.963 56 D HN 0.140 nan 8.370 nan 0.000 0.506 57 W N 2.445 123.642 121.300 -0.171 0.000 2.520 57 W HA -0.044 4.616 4.660 -0.000 0.000 0.337 57 W C 1.279 177.551 176.519 -0.412 0.000 1.406 57 W CA -1.034 56.141 57.345 -0.283 0.000 1.318 57 W CB 0.126 29.442 29.460 -0.240 0.000 1.338 57 W HN -0.127 nan 8.180 nan 0.000 0.570 58 I N 5.130 125.358 120.570 -0.570 0.000 2.399 58 I HA -0.311 3.859 4.170 -0.000 0.000 0.254 58 I C 1.660 177.167 176.117 -1.017 0.000 1.146 58 I CA 1.867 62.695 61.300 -0.786 0.000 1.412 58 I CB -0.478 37.136 38.000 -0.643 0.000 1.076 58 I HN 0.588 nan 8.210 nan 0.000 0.432 59 N N 0.606 118.348 118.700 -1.597 0.000 2.273 59 N HA 0.066 4.806 4.740 -0.000 0.000 0.231 59 N C -0.158 174.454 175.510 -1.498 0.000 1.134 59 N CA -0.279 51.967 53.050 -1.339 0.000 0.856 59 N CB -0.009 37.748 38.487 -1.217 0.000 1.068 59 N HN 0.347 nan 8.380 nan 0.000 0.510 60 R N -0.257 119.394 120.500 -1.416 0.000 2.543 60 R HA 0.208 4.548 4.340 -0.000 0.000 0.277 60 R C -0.924 175.103 176.300 -0.456 0.000 1.074 60 R CA -0.406 55.154 56.100 -0.900 0.000 1.076 60 R CB 0.371 30.398 30.300 -0.456 0.000 0.993 60 R HN -0.047 nan 8.270 nan 0.000 0.459 61 D N 2.465 122.720 120.400 -0.242 0.000 2.455 61 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 61 D C -0.137 176.128 176.300 -0.059 0.000 1.138 61 D CA 0.408 54.364 54.000 -0.074 0.000 0.877 61 D CB 0.654 41.536 40.800 0.136 0.000 1.187 61 D HN 0.348 nan 8.370 nan 0.000 0.451 62 R N 1.516 121.994 120.500 -0.037 0.000 2.445 62 R HA 0.466 4.806 4.340 -0.000 0.000 0.308 62 R C -0.780 175.576 176.300 0.093 0.000 0.961 62 R CA -0.867 55.230 56.100 -0.005 0.000 0.862 62 R CB 1.512 31.793 30.300 -0.032 0.000 1.144 62 R HN 0.343 nan 8.270 nan 0.000 0.447 63 F N 3.178 123.082 119.950 -0.076 0.000 2.467 63 F HA 0.467 4.994 4.527 -0.000 0.000 0.336 63 F C -1.053 174.737 175.800 -0.018 0.000 1.123 63 F CA -0.806 57.155 58.000 -0.065 0.000 0.964 63 F CB 1.350 40.198 39.000 -0.254 0.000 1.136 63 F HN 0.120 nan 8.300 nan 0.000 0.447 64 V N 7.168 126.698 119.914 -0.639 0.000 2.459 64 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 64 V C -0.765 174.814 176.094 -0.858 0.000 1.029 64 V CA -0.810 61.169 62.300 -0.536 0.000 0.874 64 V CB 1.644 33.337 31.823 -0.216 0.000 0.985 64 V HN 0.671 nan 8.190 nan 0.000 0.438 65 L N 4.039 124.958 121.223 -0.508 0.000 2.407 65 L HA 0.373 4.713 4.340 -0.000 0.000 0.261 65 L C 1.499 178.331 176.870 -0.064 0.000 1.108 65 L CA 0.734 55.432 54.840 -0.237 0.000 0.995 65 L CB 0.967 43.009 42.059 -0.029 0.000 1.349 65 L HN 0.767 nan 8.230 nan 0.000 0.423 66 S N 2.778 118.461 115.700 -0.027 0.000 2.419 66 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 66 S C 1.053 175.683 174.600 0.049 0.000 1.016 66 S CA 1.324 59.533 58.200 0.015 0.000 0.974 66 S CB -0.380 62.836 63.200 0.026 0.000 0.786 66 S HN 0.853 nan 8.310 nan 0.000 0.492 67 N N 0.123 118.854 118.700 0.052 0.000 3.324 67 N HA 0.224 4.964 4.740 -0.000 0.000 0.302 67 N C 1.066 176.534 175.510 -0.070 0.000 1.360 67 N CA 0.157 53.240 53.050 0.055 0.000 1.190 67 N CB 0.568 39.075 38.487 0.034 0.000 1.462 67 N HN 0.254 nan 8.380 nan 0.000 0.532 68 G N 1.559 110.388 108.800 0.049 0.000 2.537 68 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 68 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 68 G C 1.400 176.321 174.900 0.035 0.000 1.111 68 G CA 0.728 45.866 45.100 0.064 0.000 0.748 68 G HN 0.796 nan 8.290 nan 0.000 0.564 69 H N -0.125 118.971 119.070 0.043 0.000 2.457 69 H HA 0.091 4.647 4.556 -0.000 0.000 0.297 69 H C 2.263 177.483 175.328 -0.179 0.000 1.092 69 H CA 1.048 56.962 56.048 -0.224 0.000 1.309 69 H CB -0.661 28.856 29.762 -0.409 0.000 1.382 69 H HN 0.290 nan 8.280 nan 0.000 0.535 70 A N 1.856 124.389 122.820 -0.479 0.000 2.252 70 A HA 0.122 4.442 4.320 -0.000 0.000 0.207 70 A C 2.490 179.972 177.584 -0.170 0.000 1.194 70 A CA 0.604 52.474 52.037 -0.278 0.000 0.809 70 A CB -0.958 17.871 19.000 -0.284 0.000 0.814 70 A HN 0.306 nan 8.150 nan 0.000 0.482 71 V N -0.087 119.707 119.914 -0.201 0.000 2.418 71 V HA -0.401 3.719 4.120 -0.000 0.000 0.258 71 V C 2.621 178.385 176.094 -0.551 0.000 1.088 71 V CA 2.544 64.621 62.300 -0.371 0.000 1.091 71 V CB -0.752 30.852 31.823 -0.366 0.000 0.669 71 V HN 0.676 nan 8.190 nan 0.000 0.461 72 A N -0.760 121.824 122.820 -0.394 0.000 1.933 72 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 72 A C 2.209 179.643 177.584 -0.251 0.000 1.175 72 A CA 2.093 53.877 52.037 -0.421 0.000 0.628 72 A CB -0.565 18.217 19.000 -0.363 0.000 0.814 72 A HN 0.670 nan 8.150 nan 0.000 0.444 73 L N -1.088 120.024 121.223 -0.185 0.000 2.093 73 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 73 L C 2.363 179.127 176.870 -0.177 0.000 1.085 73 L CA 1.495 56.249 54.840 -0.143 0.000 0.755 73 L CB -0.183 41.837 42.059 -0.065 0.000 0.904 73 L HN 0.421 nan 8.230 nan 0.000 0.435 74 L N -0.939 120.185 121.223 -0.165 0.000 2.005 74 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 74 L C 2.337 179.190 176.870 -0.028 0.000 1.072 74 L CA 1.842 56.622 54.840 -0.101 0.000 0.744 74 L CB -0.878 41.163 42.059 -0.029 0.000 0.895 74 L HN 0.200 nan 8.230 nan 0.000 0.433 75 Y N -0.125 120.140 120.300 -0.057 0.000 2.207 75 Y HA -0.159 4.391 4.550 -0.000 0.000 0.287 75 Y C 2.861 178.741 175.900 -0.033 0.000 1.156 75 Y CA 0.962 59.042 58.100 -0.033 0.000 1.182 75 Y CB -1.476 36.954 38.460 -0.050 0.000 0.979 75 Y HN 0.240 nan 8.280 nan 0.000 0.521 76 S N -0.522 115.211 115.700 0.056 0.000 2.356 76 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 76 S C 2.101 176.677 174.600 -0.040 0.000 1.032 76 S CA 1.427 59.641 58.200 0.023 0.000 1.005 76 S CB -0.247 62.916 63.200 -0.061 0.000 0.867 76 S HN 0.281 nan 8.310 nan 0.000 0.449 77 M N 1.095 120.528 119.600 -0.279 0.000 2.099 77 M HA 0.061 4.541 4.480 -0.000 0.000 0.262 77 M C 2.105 178.207 176.300 -0.329 0.000 1.067 77 M CA 1.204 56.136 55.300 -0.613 0.000 1.124 77 M CB -1.629 30.028 32.600 -1.573 0.000 1.353 77 M HN 0.271 nan 8.290 nan 0.000 0.410 78 L N -1.002 120.143 121.223 -0.129 0.000 1.990 78 L HA -0.312 4.028 4.340 -0.000 0.000 0.213 78 L C 2.656 179.676 176.870 0.250 0.000 1.072 78 L CA 2.016 56.911 54.840 0.091 0.000 0.755 78 L CB -1.004 41.088 42.059 0.055 0.000 0.889 78 L HN 0.356 nan 8.230 nan 0.000 0.432 79 H N 0.242 119.400 119.070 0.147 0.000 2.253 79 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 79 H C 2.183 177.651 175.328 0.233 0.000 1.074 79 H CA 2.069 58.227 56.048 0.183 0.000 1.263 79 H CB -0.357 29.497 29.762 0.154 0.000 1.363 79 H HN 0.135 nan 8.280 nan 0.000 0.489 80 L N -0.162 121.056 121.223 -0.008 0.000 2.079 80 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 80 L C 2.264 179.214 176.870 0.133 0.000 1.081 80 L CA 1.826 56.708 54.840 0.070 0.000 0.752 80 L CB -0.572 41.616 42.059 0.214 0.000 0.896 80 L HN 0.564 nan 8.230 nan 0.000 0.433 81 T N -3.514 111.048 114.554 0.013 0.000 3.219 81 T HA 0.322 4.672 4.350 -0.000 0.000 0.249 81 T C 1.191 175.939 174.700 0.079 0.000 1.099 81 T CA 0.336 62.446 62.100 0.016 0.000 0.988 81 T CB 0.435 69.305 68.868 0.003 0.000 0.999 81 T HN 0.483 nan 8.240 nan 0.000 0.550 82 G N 0.105 108.954 108.800 0.083 0.000 2.138 82 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.193 82 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.193 82 G C -0.224 174.643 174.900 -0.053 0.000 0.998 82 G CA -0.562 44.530 45.100 -0.013 0.000 0.668 82 G HN 0.565 nan 8.290 nan 0.000 0.516 83 Y N 0.305 120.636 120.300 0.051 0.000 2.298 83 Y HA 0.449 4.999 4.550 -0.000 0.000 0.329 83 Y C 0.995 176.931 175.900 0.061 0.000 1.293 83 Y CA -0.009 58.131 58.100 0.067 0.000 1.388 83 Y CB 0.616 39.139 38.460 0.106 0.000 1.309 83 Y HN 0.081 nan 8.280 nan 0.000 0.544 84 D N 2.119 122.657 120.400 0.230 0.000 2.489 84 D HA 0.224 4.864 4.640 -0.000 0.000 0.237 84 D C -1.675 174.708 176.300 0.139 0.000 1.212 84 D CA 0.388 54.472 54.000 0.141 0.000 1.058 84 D CB -0.760 40.100 40.800 0.101 0.000 1.098 84 D HN 0.304 nan 8.370 nan 0.000 0.509 85 L N 2.262 123.586 121.223 0.168 0.000 2.543 85 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 85 L C -0.612 176.393 176.870 0.226 0.000 0.945 85 L CA -0.394 54.527 54.840 0.136 0.000 0.869 85 L CB 1.728 43.861 42.059 0.123 0.000 1.294 85 L HN 0.218 nan 8.230 nan 0.000 0.405 86 S N 4.052 119.823 115.700 0.118 0.000 2.747 86 S HA 0.552 5.022 4.470 -0.000 0.000 0.300 86 S C 1.220 175.771 174.600 -0.082 0.000 1.121 86 S CA -0.919 57.348 58.200 0.111 0.000 0.995 86 S CB 1.118 64.355 63.200 0.061 0.000 1.113 86 S HN 0.504 nan 8.310 nan 0.000 0.547 87 I N 0.715 121.188 120.570 -0.162 0.000 2.315 87 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 87 I C 2.545 178.523 176.117 -0.231 0.000 1.125 87 I CA 1.758 62.921 61.300 -0.227 0.000 1.392 87 I CB -1.303 36.630 38.000 -0.113 0.000 1.065 87 I HN 0.838 nan 8.210 nan 0.000 0.424 88 E N 1.179 121.292 120.200 -0.146 0.000 2.107 88 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 88 E C 1.712 178.242 176.600 -0.117 0.000 0.982 88 E CA 1.223 57.539 56.400 -0.140 0.000 0.809 88 E CB -0.052 29.601 29.700 -0.080 0.000 0.756 88 E HN 0.352 nan 8.360 nan 0.000 0.459 89 D N -0.007 120.341 120.400 -0.085 0.000 2.117 89 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 89 D C 2.028 178.287 176.300 -0.068 0.000 0.987 89 D CA 0.856 54.813 54.000 -0.072 0.000 0.829 89 D CB -0.214 40.541 40.800 -0.075 0.000 0.961 89 D HN 0.256 nan 8.370 nan 0.000 0.460 90 L N 0.464 121.637 121.223 -0.083 0.000 2.083 90 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 90 L C 2.130 179.001 176.870 0.002 0.000 1.083 90 L CA 1.119 55.955 54.840 -0.006 0.000 0.752 90 L CB -0.296 41.783 42.059 0.033 0.000 0.899 90 L HN -0.047 nan 8.230 nan 0.000 0.433 91 K N -0.077 120.185 120.400 -0.230 0.000 2.555 91 K HA -0.102 4.218 4.320 -0.000 0.000 0.193 91 K C 0.732 177.301 176.600 -0.052 0.000 1.032 91 K CA 0.589 56.706 56.287 -0.283 0.000 1.004 91 K CB 0.090 32.318 32.500 -0.455 0.000 0.804 91 K HN 0.401 nan 8.250 nan 0.000 0.496 92 Q N -0.055 119.754 119.800 0.015 0.000 2.129 92 Q HA 0.127 4.467 4.340 -0.000 0.000 0.274 92 Q C -0.752 175.323 176.000 0.124 0.000 0.854 92 Q CA -0.536 55.298 55.803 0.052 0.000 1.123 92 Q CB 0.344 29.087 28.738 0.008 0.000 1.226 92 Q HN 0.104 nan 8.270 nan 0.000 0.454 93 F N 1.906 121.876 119.950 0.034 0.000 2.646 93 F HA -0.121 4.406 4.527 -0.000 0.000 0.363 93 F C 1.079 176.929 175.800 0.084 0.000 1.143 93 F CA 0.820 58.874 58.000 0.090 0.000 1.356 93 F CB 0.381 39.474 39.000 0.155 0.000 1.055 93 F HN 0.269 nan 8.300 nan 0.000 0.606 94 R N 0.422 120.673 120.500 -0.415 0.000 3.973 94 R HA -0.248 4.092 4.340 -0.000 0.000 0.322 94 R C -0.426 175.782 176.300 -0.153 0.000 1.238 94 R CA 1.016 56.874 56.100 -0.402 0.000 0.937 94 R CB -1.335 28.559 30.300 -0.676 0.000 1.340 94 R HN 0.599 nan 8.270 nan 0.000 0.552 95 Q N 0.558 120.320 119.800 -0.064 0.000 2.235 95 Q HA 0.305 4.645 4.340 -0.000 0.000 0.256 95 Q C -0.040 175.954 176.000 -0.010 0.000 0.951 95 Q CA -0.904 54.883 55.803 -0.027 0.000 0.890 95 Q CB 1.276 30.011 28.738 -0.005 0.000 1.279 95 Q HN 0.199 nan 8.270 nan 0.000 0.444 96 L N 1.336 122.555 121.223 -0.005 0.000 2.584 96 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 96 L C 1.039 177.912 176.870 0.006 0.000 1.195 96 L CA 1.736 56.578 54.840 0.003 0.000 0.920 96 L CB -0.162 41.900 42.059 0.004 0.000 1.173 96 L HN 0.943 nan 8.230 nan 0.000 0.489 97 G N 1.953 110.759 108.800 0.011 0.000 2.175 97 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 97 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 97 G C 0.322 175.227 174.900 0.009 0.000 0.982 97 G CA 0.303 45.409 45.100 0.010 0.000 0.641 97 G HN 1.019 nan 8.290 nan 0.000 0.527 98 S N -0.622 115.083 115.700 0.010 0.000 2.641 98 S HA 0.586 5.056 4.470 -0.000 0.000 0.261 98 S C 1.136 175.736 174.600 -0.000 0.000 1.257 98 S CA 0.105 58.307 58.200 0.004 0.000 0.983 98 S CB 1.127 64.334 63.200 0.011 0.000 0.990 98 S HN 0.337 nan 8.310 nan 0.000 0.572 99 R N 0.068 120.552 120.500 -0.027 0.000 2.317 99 R HA 0.096 4.436 4.340 -0.000 0.000 0.208 99 R C 0.125 176.361 176.300 -0.107 0.000 0.914 99 R CA 0.612 56.684 56.100 -0.047 0.000 1.060 99 R CB -0.182 30.081 30.300 -0.061 0.000 1.015 99 R HN 0.852 nan 8.270 nan 0.000 0.498 100 T N 0.277 114.780 114.554 -0.085 0.000 3.368 100 T HA 0.271 4.621 4.350 -0.000 0.000 0.321 100 T C -2.360 172.493 174.700 0.255 0.000 1.830 100 T CA -1.977 60.067 62.100 -0.093 0.000 1.494 100 T CB 0.930 69.747 68.868 -0.085 0.000 1.045 100 T HN -0.062 nan 8.240 nan 0.000 0.729 101 P HA 0.092 nan 4.420 nan 0.000 0.271 101 P C 1.161 178.634 177.300 0.290 0.000 1.233 101 P CA 0.041 63.279 63.100 0.231 0.000 0.795 101 P CB 0.502 32.335 31.700 0.222 0.000 0.936 102 G N -0.657 108.202 108.800 0.099 0.000 2.920 102 G HA2 0.010 3.970 3.960 -0.000 0.000 0.208 102 G HA3 0.010 3.970 3.960 -0.000 0.000 0.208 102 G C -0.103 174.728 174.900 -0.115 0.000 1.159 102 G CA 0.453 45.533 45.100 -0.034 0.000 0.784 102 G HN 0.601 nan 8.290 nan 0.000 0.535 103 H N -0.957 118.237 119.070 0.207 0.000 3.085 103 H HA 0.319 4.875 4.556 -0.000 0.000 0.356 103 H C -2.595 172.837 175.328 0.174 0.000 1.178 103 H CA -1.234 54.908 56.048 0.156 0.000 1.214 103 H CB 2.495 32.332 29.762 0.126 0.000 1.881 103 H HN -0.117 nan 8.280 nan 0.000 0.538 104 P HA 0.002 nan 4.420 nan 0.000 0.265 104 P C -0.763 176.679 177.300 0.236 0.000 1.193 104 P CA 0.204 63.434 63.100 0.217 0.000 0.765 104 P CB 1.169 32.950 31.700 0.135 0.000 0.823 105 E N 1.691 122.035 120.200 0.241 0.000 2.210 105 E HA 0.134 4.484 4.350 -0.000 0.000 0.266 105 E C 0.448 177.193 176.600 0.243 0.000 0.883 105 E CA -0.671 55.861 56.400 0.222 0.000 0.761 105 E CB 0.990 30.798 29.700 0.181 0.000 1.156 105 E HN 0.316 nan 8.360 nan 0.000 0.412 106 F N 3.442 123.446 119.950 0.091 0.000 2.141 106 F HA -0.275 4.252 4.527 -0.000 0.000 0.300 106 F C 1.381 177.230 175.800 0.082 0.000 1.079 106 F CA 2.109 60.164 58.000 0.091 0.000 1.264 106 F CB 0.112 39.149 39.000 0.061 0.000 1.011 106 F HN 0.529 nan 8.300 nan 0.000 0.487 107 E N 0.411 120.566 120.200 -0.076 0.000 2.401 107 E HA -0.046 4.304 4.350 -0.000 0.000 0.199 107 E C 0.412 176.934 176.600 -0.131 0.000 1.023 107 E CA 0.531 56.811 56.400 -0.201 0.000 0.859 107 E CB -0.386 29.292 29.700 -0.037 0.000 0.780 107 E HN 0.405 nan 8.360 nan 0.000 0.523 108 L N 0.718 121.915 121.223 -0.043 0.000 2.334 108 L HA 0.353 4.692 4.340 -0.000 0.000 0.277 108 L C -2.485 174.376 176.870 -0.015 0.000 1.075 108 L CA -2.558 52.280 54.840 -0.003 0.000 0.804 108 L CB 0.832 42.928 42.059 0.061 0.000 1.174 108 L HN -0.258 nan 8.230 nan 0.000 0.438 109 P HA 0.157 nan 4.420 nan 0.000 0.253 109 P C 0.436 177.750 177.300 0.023 0.000 1.170 109 P CA 1.273 64.403 63.100 0.051 0.000 0.806 109 P CB 0.153 31.916 31.700 0.104 0.000 0.775 110 G N 1.684 110.474 108.800 -0.017 0.000 2.231 110 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.206 110 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.206 110 G C -0.055 174.819 174.900 -0.043 0.000 0.996 110 G CA -0.370 44.609 45.100 -0.200 0.000 0.645 110 G HN 0.476 nan 8.290 nan 0.000 0.498 111 V N 2.080 122.019 119.914 0.042 0.000 2.370 111 V HA 0.465 4.585 4.120 -0.000 0.000 0.279 111 V C 1.173 177.353 176.094 0.144 0.000 1.029 111 V CA -0.470 61.904 62.300 0.123 0.000 0.870 111 V CB 1.608 33.526 31.823 0.158 0.000 0.984 111 V HN 0.218 nan 8.190 nan 0.000 0.451 112 E N 3.120 123.430 120.200 0.185 0.000 2.076 112 E HA 0.018 4.368 4.350 -0.000 0.000 0.190 112 E C 0.452 177.319 176.600 0.446 0.000 0.979 112 E CA 0.993 57.541 56.400 0.246 0.000 0.807 112 E CB 0.425 30.204 29.700 0.132 0.000 0.761 112 E HN 0.691 nan 8.360 nan 0.000 0.454 113 V N -2.632 117.492 119.914 0.350 0.000 3.202 113 V HA 0.485 4.605 4.120 -0.000 0.000 0.306 113 V C -0.304 175.960 176.094 0.282 0.000 1.283 113 V CA -1.169 61.319 62.300 0.313 0.000 1.065 113 V CB 1.690 33.589 31.823 0.128 0.000 1.079 113 V HN -0.179 nan 8.190 nan 0.000 0.448 114 T N 2.413 117.102 114.554 0.225 0.000 2.767 114 T HA 0.714 5.064 4.350 -0.000 0.000 0.288 114 T C 0.038 174.822 174.700 0.140 0.000 0.963 114 T CA 0.036 62.249 62.100 0.188 0.000 1.019 114 T CB 0.889 69.850 68.868 0.155 0.000 0.923 114 T HN 1.240 nan 8.240 nan 0.000 0.468 115 T N -0.635 114.003 114.554 0.140 0.000 2.883 115 T HA 0.821 5.171 4.350 -0.000 0.000 0.296 115 T C 0.731 175.516 174.700 0.143 0.000 1.117 115 T CA -0.159 62.009 62.100 0.113 0.000 1.006 115 T CB 2.098 71.019 68.868 0.087 0.000 1.191 115 T HN 0.761 nan 8.240 nan 0.000 0.508 116 G N 0.457 109.324 108.800 0.113 0.000 3.514 116 G HA2 0.049 4.009 3.960 -0.000 0.000 0.197 116 G HA3 0.049 4.009 3.960 -0.000 0.000 0.197 116 G C -2.587 172.316 174.900 0.005 0.000 1.098 116 G CA -0.531 44.630 45.100 0.102 0.000 0.884 116 G HN 0.849 nan 8.290 nan 0.000 0.433 117 P HA 0.494 nan 4.420 nan 0.000 0.268 117 P C 0.234 177.546 177.300 0.020 0.000 1.204 117 P CA 0.026 63.129 63.100 0.006 0.000 0.768 117 P CB 0.740 32.454 31.700 0.024 0.000 0.842 118 L N 1.819 123.045 121.223 0.006 0.000 2.418 118 L HA 0.380 4.720 4.340 -0.000 0.000 0.265 118 L C 1.757 178.606 176.870 -0.036 0.000 1.143 118 L CA 0.440 55.280 54.840 0.001 0.000 0.809 118 L CB 0.029 42.081 42.059 -0.013 0.000 1.124 118 L HN 0.766 nan 8.230 nan 0.000 0.456 119 G N 0.363 109.141 108.800 -0.038 0.000 2.245 119 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 119 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 119 G C 0.997 175.857 174.900 -0.066 0.000 0.985 119 G CA 0.276 45.336 45.100 -0.067 0.000 0.625 119 G HN 0.605 nan 8.290 nan 0.000 0.536 120 Q N 0.233 120.010 119.800 -0.038 0.000 2.172 120 Q HA 0.039 4.379 4.340 -0.000 0.000 0.200 120 Q C 2.737 178.737 176.000 0.001 0.000 0.964 120 Q CA 1.819 57.614 55.803 -0.012 0.000 0.855 120 Q CB -0.681 28.074 28.738 0.030 0.000 0.918 120 Q HN 0.646 nan 8.270 nan 0.000 0.444 121 G N 1.231 110.035 108.800 0.007 0.000 2.404 121 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 121 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 121 G C 1.537 176.435 174.900 -0.003 0.000 1.174 121 G CA 0.646 45.748 45.100 0.002 0.000 0.780 121 G HN 0.343 nan 8.290 nan 0.000 0.537 122 I N 1.400 121.976 120.570 0.010 0.000 2.163 122 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 122 I C 2.797 178.936 176.117 0.036 0.000 1.085 122 I CA 2.156 63.479 61.300 0.038 0.000 1.347 122 I CB -0.227 37.798 38.000 0.042 0.000 1.044 122 I HN 0.125 nan 8.210 nan 0.000 0.408 123 S N 0.501 116.206 115.700 0.008 0.000 2.399 123 S HA -0.165 4.305 4.470 -0.000 0.000 0.231 123 S C 1.780 176.366 174.600 -0.024 0.000 1.022 123 S CA 1.721 59.919 58.200 -0.004 0.000 0.983 123 S CB -0.939 62.247 63.200 -0.022 0.000 0.803 123 S HN 0.608 nan 8.310 nan 0.000 0.480 124 N N 1.521 120.203 118.700 -0.031 0.000 2.142 124 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 124 N C 1.944 177.412 175.510 -0.070 0.000 1.023 124 N CA 0.948 53.961 53.050 -0.062 0.000 0.852 124 N CB -0.238 38.220 38.487 -0.049 0.000 0.998 124 N HN 0.436 nan 8.380 nan 0.000 0.424 125 A N 0.709 123.503 122.820 -0.043 0.000 2.015 125 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 125 A C 2.318 179.864 177.584 -0.064 0.000 1.163 125 A CA 0.813 52.821 52.037 -0.048 0.000 0.646 125 A CB -0.421 18.567 19.000 -0.019 0.000 0.806 125 A HN 0.087 nan 8.150 nan 0.000 0.448 126 V N -0.195 119.694 119.914 -0.042 0.000 2.427 126 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 126 V C 2.785 178.800 176.094 -0.133 0.000 1.051 126 V CA 1.853 64.116 62.300 -0.062 0.000 1.048 126 V CB -1.235 30.586 31.823 -0.003 0.000 0.666 126 V HN 0.598 nan 8.190 nan 0.000 0.456 127 G N -0.793 107.923 108.800 -0.140 0.000 2.421 127 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 127 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 127 G C 1.635 176.363 174.900 -0.287 0.000 1.171 127 G CA 1.122 46.095 45.100 -0.210 0.000 0.775 127 G HN 0.396 nan 8.290 nan 0.000 0.543 128 M N 0.794 120.265 119.600 -0.214 0.000 2.065 128 M HA -0.069 4.411 4.480 -0.000 0.000 0.259 128 M C 3.077 179.184 176.300 -0.322 0.000 1.069 128 M CA 1.625 56.804 55.300 -0.203 0.000 1.110 128 M CB -0.299 32.258 32.600 -0.071 0.000 1.328 128 M HN 0.313 nan 8.290 nan 0.000 0.405 129 A N 0.002 122.660 122.820 -0.270 0.000 1.986 129 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 129 A C 2.076 179.434 177.584 -0.377 0.000 1.171 129 A CA 1.837 53.687 52.037 -0.312 0.000 0.640 129 A CB -0.663 18.187 19.000 -0.250 0.000 0.811 129 A HN 0.511 nan 8.150 nan 0.000 0.451 130 M N -0.862 118.514 119.600 -0.372 0.000 2.098 130 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 130 M C 2.602 178.534 176.300 -0.614 0.000 1.072 130 M CA 1.382 56.431 55.300 -0.418 0.000 1.133 130 M CB -0.446 31.851 32.600 -0.506 0.000 1.344 130 M HN 0.436 nan 8.290 nan 0.000 0.414 131 A N -0.098 122.248 122.820 -0.789 0.000 1.948 131 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 131 A C 2.156 179.034 177.584 -1.177 0.000 1.177 131 A CA 1.757 53.121 52.037 -1.122 0.000 0.636 131 A CB -0.833 17.370 19.000 -1.328 0.000 0.815 131 A HN 0.538 nan 8.150 nan 0.000 0.449 132 Q N -0.057 119.038 119.800 -1.175 0.000 2.050 132 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 132 Q C 2.267 177.998 176.000 -0.448 0.000 0.980 132 Q CA 2.027 57.316 55.803 -0.856 0.000 0.840 132 Q CB -0.576 27.851 28.738 -0.519 0.000 0.898 132 Q HN 0.552 nan 8.270 nan 0.000 0.424 133 A N 1.658 124.218 122.820 -0.433 0.000 1.940 133 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 133 A C 2.000 179.473 177.584 -0.185 0.000 1.176 133 A CA 1.757 53.545 52.037 -0.414 0.000 0.631 133 A CB -0.832 17.772 19.000 -0.661 0.000 0.814 133 A HN 0.581 nan 8.150 nan 0.000 0.446 134 N N -0.324 118.335 118.700 -0.068 0.000 2.171 134 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 134 N C 1.767 177.323 175.510 0.076 0.000 1.021 134 N CA 1.468 54.580 53.050 0.104 0.000 0.854 134 N CB -0.212 38.321 38.487 0.077 0.000 0.994 134 N HN 0.356 nan 8.380 nan 0.000 0.426 135 L N 1.599 122.863 121.223 0.067 0.000 2.017 135 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 135 L C 2.459 179.437 176.870 0.180 0.000 1.073 135 L CA 1.815 56.798 54.840 0.238 0.000 0.745 135 L CB -0.816 41.425 42.059 0.302 0.000 0.894 135 L HN 0.176 nan 8.230 nan 0.000 0.432 136 A N -0.397 122.459 122.820 0.059 0.000 1.859 136 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 136 A C 2.410 180.012 177.584 0.029 0.000 1.198 136 A CA 2.237 54.295 52.037 0.035 0.000 0.629 136 A CB -1.393 17.578 19.000 -0.048 0.000 0.830 136 A HN 0.549 nan 8.150 nan 0.000 0.446 137 A N -1.606 121.220 122.820 0.009 0.000 2.125 137 A HA -0.003 4.316 4.320 -0.000 0.000 0.219 137 A C 2.120 179.680 177.584 -0.040 0.000 1.156 137 A CA 2.124 54.167 52.037 0.009 0.000 0.671 137 A CB -0.835 18.193 19.000 0.047 0.000 0.794 137 A HN 0.482 nan 8.150 nan 0.000 0.459 138 T N -2.511 111.979 114.554 -0.107 0.000 3.044 138 T HA 0.101 4.451 4.350 -0.000 0.000 0.255 138 T C 1.195 175.548 174.700 -0.578 0.000 1.073 138 T CA 1.128 63.012 62.100 -0.361 0.000 1.125 138 T CB -0.171 68.428 68.868 -0.449 0.000 0.908 138 T HN 0.577 nan 8.240 nan 0.000 0.480 139 Y N 0.167 120.505 120.300 0.064 0.000 2.512 139 Y HA 0.404 4.954 4.550 -0.000 0.000 0.268 139 Y C 0.611 176.555 175.900 0.073 0.000 1.102 139 Y CA -1.099 57.049 58.100 0.080 0.000 1.261 139 Y CB -0.030 38.433 38.460 0.006 0.000 1.250 139 Y HN -0.017 nan 8.280 nan 0.000 0.506 140 N N 2.392 121.192 118.700 0.166 0.000 2.440 140 N HA 0.099 4.839 4.740 -0.000 0.000 0.265 140 N C -0.441 175.136 175.510 0.112 0.000 1.239 140 N CA 0.329 53.464 53.050 0.141 0.000 0.909 140 N CB 0.537 39.080 38.487 0.094 0.000 1.066 140 N HN 0.119 nan 8.380 nan 0.000 0.474 141 K N 2.457 122.957 120.400 0.168 0.000 2.221 141 K HA 0.495 4.815 4.320 -0.000 0.000 0.243 141 K C -2.395 174.317 176.600 0.188 0.000 0.968 141 K CA -2.040 54.284 56.287 0.062 0.000 0.846 141 K CB 1.294 33.584 32.500 -0.349 0.000 1.141 141 K HN 0.307 nan 8.250 nan 0.000 0.434 142 P HA -0.003 nan 4.420 nan 0.000 0.263 142 P C 0.291 177.651 177.300 0.099 0.000 1.195 142 P CA 0.828 63.998 63.100 0.117 0.000 0.762 142 P CB 0.717 32.482 31.700 0.109 0.000 0.799 143 G N 2.979 111.700 108.800 -0.133 0.000 2.279 143 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 143 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 143 G C -0.171 174.181 174.900 -0.914 0.000 1.015 143 G CA -0.443 44.313 45.100 -0.574 0.000 0.621 143 G HN 0.434 nan 8.290 nan 0.000 0.506 144 F N 2.707 122.749 119.950 0.153 0.000 2.453 144 F HA 0.519 5.046 4.527 -0.000 0.000 0.358 144 F C 0.399 176.252 175.800 0.089 0.000 1.129 144 F CA -0.484 57.612 58.000 0.160 0.000 1.200 144 F CB 1.414 40.636 39.000 0.370 0.000 1.431 144 F HN -0.091 nan 8.300 nan 0.000 0.503 145 T N 3.789 118.423 114.554 0.133 0.000 3.414 145 T HA 0.203 4.553 4.350 -0.000 0.000 0.304 145 T C 1.628 176.439 174.700 0.185 0.000 1.241 145 T CA -0.023 62.154 62.100 0.128 0.000 1.076 145 T CB -0.022 68.902 68.868 0.093 0.000 1.134 145 T HN 0.467 nan 8.240 nan 0.000 0.759 146 L N 0.841 122.167 121.223 0.172 0.000 2.217 146 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 146 L C 1.505 178.602 176.870 0.378 0.000 1.107 146 L CA 0.556 55.596 54.840 0.333 0.000 0.783 146 L CB 0.029 42.120 42.059 0.054 0.000 0.919 146 L HN 0.392 nan 8.230 nan 0.000 0.442 147 S N -0.078 115.720 115.700 0.163 0.000 2.561 147 S HA 0.405 4.875 4.470 -0.000 0.000 0.303 147 S C -0.636 173.960 174.600 -0.006 0.000 1.110 147 S CA -0.618 57.619 58.200 0.062 0.000 1.034 147 S CB 1.040 64.290 63.200 0.082 0.000 1.010 147 S HN 0.436 nan 8.310 nan 0.000 0.482 148 D N 2.176 122.528 120.400 -0.080 0.000 2.656 148 D HA -0.028 4.612 4.640 -0.000 0.000 0.384 148 D C -0.075 176.071 176.300 -0.257 0.000 1.347 148 D CA -0.388 53.523 54.000 -0.148 0.000 0.970 148 D CB -1.153 39.606 40.800 -0.068 0.000 1.549 148 D HN 0.548 nan 8.370 nan 0.000 0.401 149 N N 0.597 119.151 118.700 -0.242 0.000 2.381 149 N HA -0.028 4.711 4.740 -0.000 0.000 0.241 149 N C -0.643 174.630 175.510 -0.396 0.000 1.279 149 N CA 0.323 53.220 53.050 -0.254 0.000 0.896 149 N CB 0.802 39.139 38.487 -0.250 0.000 1.118 149 N HN -0.013 nan 8.380 nan 0.000 0.438 150 Y N -0.727 119.400 120.300 -0.288 0.000 2.458 150 Y HA 0.317 4.867 4.550 -0.000 0.000 0.322 150 Y C 0.559 176.134 175.900 -0.543 0.000 1.259 150 Y CA -0.369 57.441 58.100 -0.483 0.000 1.302 150 Y CB 1.565 39.541 38.460 -0.805 0.000 1.314 150 Y HN 0.413 nan 8.280 nan 0.000 0.509 151 T N 1.607 115.917 114.554 -0.406 0.000 2.840 151 T HA 0.414 4.764 4.350 -0.000 0.000 0.287 151 T C -1.628 172.894 174.700 -0.296 0.000 0.991 151 T CA -0.683 61.251 62.100 -0.276 0.000 0.964 151 T CB 0.078 68.843 68.868 -0.172 0.000 0.954 151 T HN 0.214 nan 8.240 nan 0.000 0.438 152 Y N 1.764 122.104 120.300 0.067 0.000 2.352 152 Y HA 0.624 5.174 4.550 -0.000 0.000 0.339 152 Y C -0.031 175.885 175.900 0.027 0.000 0.992 152 Y CA -1.158 57.008 58.100 0.109 0.000 1.100 152 Y CB 1.452 40.009 38.460 0.162 0.000 1.192 152 Y HN 0.368 nan 8.280 nan 0.000 0.458 153 V N 3.354 123.416 119.914 0.246 0.000 2.709 153 V HA 0.471 4.591 4.120 -0.000 0.000 0.308 153 V C -1.007 175.269 176.094 0.303 0.000 1.062 153 V CA -1.095 61.263 62.300 0.096 0.000 0.901 153 V CB 2.042 33.933 31.823 0.113 0.000 1.003 153 V HN 0.394 nan 8.190 nan 0.000 0.425 154 F N 5.177 125.088 119.950 -0.066 0.000 2.436 154 F HA 0.874 5.401 4.527 -0.000 0.000 0.340 154 F C -0.033 175.782 175.800 0.026 0.000 1.113 154 F CA -1.350 56.684 58.000 0.056 0.000 1.022 154 F CB 1.690 40.764 39.000 0.123 0.000 1.128 154 F HN 0.573 nan 8.300 nan 0.000 0.466 155 L N 1.063 122.403 121.223 0.194 0.000 2.403 155 L HA 1.129 5.469 4.340 -0.000 0.000 0.253 155 L C -0.484 176.501 176.870 0.191 0.000 1.045 155 L CA -0.911 54.014 54.840 0.141 0.000 0.845 155 L CB 2.047 44.156 42.059 0.083 0.000 1.447 155 L HN 0.580 nan 8.230 nan 0.000 0.411 156 G N -0.948 107.963 108.800 0.186 0.000 3.042 156 G HA2 0.347 4.307 3.960 -0.000 0.000 0.278 156 G HA3 0.347 4.307 3.960 -0.000 0.000 0.278 156 G C -0.405 174.618 174.900 0.205 0.000 1.371 156 G CA -0.144 45.116 45.100 0.266 0.000 1.009 156 G HN 0.737 nan 8.290 nan 0.000 0.523 157 D N 0.073 120.631 120.400 0.263 0.000 2.116 157 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 157 D C 2.470 178.620 176.300 -0.250 0.000 0.998 157 D CA 1.791 55.821 54.000 0.049 0.000 0.836 157 D CB -0.383 40.486 40.800 0.115 0.000 0.951 157 D HN 0.472 nan 8.370 nan 0.000 0.449 158 G N 0.668 109.396 108.800 -0.120 0.000 2.469 158 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 158 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 158 G C 1.930 176.748 174.900 -0.136 0.000 1.136 158 G CA 0.919 45.934 45.100 -0.142 0.000 0.759 158 G HN 0.314 nan 8.290 nan 0.000 0.562 159 C N 0.018 119.269 119.300 -0.083 0.000 2.466 159 C HA 0.170 4.630 4.460 -0.000 0.000 0.278 159 C C 2.749 177.659 174.990 -0.133 0.000 1.288 159 C CA 0.237 59.208 59.018 -0.077 0.000 1.722 159 C CB -0.858 26.864 27.740 -0.030 0.000 2.017 159 C HN 0.415 nan 8.230 nan 0.000 0.488 160 L N 0.318 121.421 121.223 -0.201 0.000 2.551 160 L HA -0.115 4.225 4.340 -0.000 0.000 0.228 160 L C 2.394 179.118 176.870 -0.243 0.000 1.153 160 L CA 1.084 55.806 54.840 -0.196 0.000 0.851 160 L CB -0.565 41.367 42.059 -0.212 0.000 0.959 160 L HN 0.536 nan 8.230 nan 0.000 0.451 161 Q N -0.725 118.854 119.800 -0.368 0.000 2.376 161 Q HA 0.038 4.378 4.340 -0.000 0.000 0.206 161 Q C 0.117 176.029 176.000 -0.146 0.000 0.921 161 Q CA 0.112 55.731 55.803 -0.308 0.000 0.911 161 Q CB 0.575 29.064 28.738 -0.415 0.000 1.032 161 Q HN 0.339 nan 8.270 nan 0.000 0.510 162 E N 0.586 120.706 120.200 -0.134 0.000 2.257 162 E HA 0.036 4.386 4.350 -0.000 0.000 0.278 162 E C 0.793 177.340 176.600 -0.089 0.000 1.049 162 E CA 0.003 56.341 56.400 -0.104 0.000 0.876 162 E CB 1.256 30.890 29.700 -0.110 0.000 1.035 162 E HN 0.318 nan 8.360 nan 0.000 0.419 163 G N 4.143 112.901 108.800 -0.069 0.000 2.507 163 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.221 163 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.221 163 G C 1.380 176.237 174.900 -0.073 0.000 1.119 163 G CA 0.333 45.403 45.100 -0.050 0.000 0.751 163 G HN 0.624 nan 8.290 nan 0.000 0.574 164 I N 0.826 121.314 120.570 -0.136 0.000 2.286 164 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 164 I C 2.668 178.716 176.117 -0.116 0.000 1.115 164 I CA 1.558 62.752 61.300 -0.177 0.000 1.392 164 I CB -0.035 37.712 38.000 -0.422 0.000 1.065 164 I HN 0.176 nan 8.210 nan 0.000 0.418 165 S N 0.511 116.151 115.700 -0.099 0.000 2.382 165 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 165 S C 2.007 176.550 174.600 -0.095 0.000 1.027 165 S CA 1.608 59.768 58.200 -0.067 0.000 0.991 165 S CB -0.267 62.904 63.200 -0.049 0.000 0.823 165 S HN 0.518 nan 8.310 nan 0.000 0.469 166 S N 1.819 117.459 115.700 -0.099 0.000 2.345 166 S HA -0.106 4.364 4.470 -0.000 0.000 0.220 166 S C 1.855 176.309 174.600 -0.242 0.000 1.031 166 S CA 0.945 59.055 58.200 -0.150 0.000 0.996 166 S CB -0.384 62.799 63.200 -0.028 0.000 0.882 166 S HN 0.541 nan 8.310 nan 0.000 0.445 167 E N 1.438 121.565 120.200 -0.122 0.000 2.065 167 E HA -0.220 4.130 4.350 -0.000 0.000 0.201 167 E C 2.388 178.929 176.600 -0.098 0.000 1.016 167 E CA 1.258 57.608 56.400 -0.084 0.000 0.818 167 E CB -0.339 29.348 29.700 -0.022 0.000 0.749 167 E HN 0.514 nan 8.360 nan 0.000 0.453 168 A N 0.751 123.525 122.820 -0.077 0.000 1.877 168 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 168 A C 2.336 179.912 177.584 -0.014 0.000 1.186 168 A CA 1.877 53.900 52.037 -0.023 0.000 0.620 168 A CB -0.459 18.543 19.000 0.002 0.000 0.822 168 A HN 0.144 nan 8.150 nan 0.000 0.443 169 S N -0.730 114.890 115.700 -0.133 0.000 2.453 169 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 169 S C 2.208 176.603 174.600 -0.343 0.000 1.005 169 S CA 1.060 59.199 58.200 -0.101 0.000 0.949 169 S CB -0.173 62.678 63.200 -0.582 0.000 0.774 169 S HN 0.610 nan 8.310 nan 0.000 0.510 170 S N 1.331 116.636 115.700 -0.659 0.000 2.345 170 S HA 0.023 4.493 4.470 -0.000 0.000 0.219 170 S C 1.792 176.362 174.600 -0.050 0.000 1.031 170 S CA 0.669 58.604 58.200 -0.442 0.000 0.984 170 S CB -0.375 62.634 63.200 -0.318 0.000 0.874 170 S HN 0.348 nan 8.310 nan 0.000 0.451 171 L N 1.993 123.204 121.223 -0.021 0.000 2.042 171 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 171 L C 2.428 179.339 176.870 0.068 0.000 1.076 171 L CA 2.131 57.007 54.840 0.060 0.000 0.749 171 L CB -1.234 40.850 42.059 0.041 0.000 0.893 171 L HN 0.319 nan 8.230 nan 0.000 0.432 172 A N -0.789 122.069 122.820 0.062 0.000 1.902 172 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 172 A C 2.348 179.887 177.584 -0.075 0.000 1.181 172 A CA 1.605 53.638 52.037 -0.007 0.000 0.623 172 A CB -1.524 17.498 19.000 0.038 0.000 0.818 172 A HN 0.515 nan 8.150 nan 0.000 0.443 173 G N -1.322 107.537 108.800 0.099 0.000 2.422 173 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 173 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 173 G C 1.489 176.439 174.900 0.084 0.000 1.146 173 G CA 1.453 46.620 45.100 0.112 0.000 0.769 173 G HN 0.765 nan 8.290 nan 0.000 0.547 174 H N 0.677 119.762 119.070 0.024 0.000 2.321 174 H HA 0.110 4.666 4.556 -0.000 0.000 0.300 174 H C 2.210 177.514 175.328 -0.039 0.000 1.087 174 H CA 1.141 57.185 56.048 -0.007 0.000 1.319 174 H CB -0.404 29.347 29.762 -0.019 0.000 1.379 174 H HN 0.255 nan 8.280 nan 0.000 0.501 175 L N 0.384 121.410 121.223 -0.328 0.000 2.610 175 L HA 0.008 4.348 4.340 -0.000 0.000 0.232 175 L C 0.615 177.391 176.870 -0.157 0.000 1.149 175 L CA 0.599 55.243 54.840 -0.327 0.000 0.872 175 L CB -0.217 41.787 42.059 -0.092 0.000 0.992 175 L HN 0.288 nan 8.230 nan 0.000 0.447 176 K N 0.445 120.754 120.400 -0.152 0.000 3.071 176 K HA -0.186 4.134 4.320 -0.000 0.000 0.265 176 K C -0.182 176.356 176.600 -0.102 0.000 1.060 176 K CA 0.315 56.535 56.287 -0.111 0.000 0.767 176 K CB -1.819 30.626 32.500 -0.090 0.000 1.241 176 K HN 0.316 nan 8.250 nan 0.000 0.486 177 L N 0.768 121.881 121.223 -0.184 0.000 2.415 177 L HA 0.041 4.381 4.340 -0.000 0.000 0.269 177 L C 1.890 178.595 176.870 -0.274 0.000 1.244 177 L CA 0.173 54.873 54.840 -0.235 0.000 1.113 177 L CB 0.132 42.041 42.059 -0.250 0.000 1.352 177 L HN 0.401 nan 8.230 nan 0.000 0.433 178 G N 1.287 109.966 108.800 -0.202 0.000 2.509 178 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 178 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 178 G C 1.157 175.978 174.900 -0.132 0.000 1.124 178 G CA 0.159 45.169 45.100 -0.149 0.000 0.776 178 G HN 0.506 nan 8.290 nan 0.000 0.547 179 N N -0.490 118.072 118.700 -0.229 0.000 2.449 179 N HA 0.120 4.860 4.740 -0.000 0.000 0.191 179 N C -0.019 175.396 175.510 -0.158 0.000 1.161 179 N CA -0.135 52.755 53.050 -0.266 0.000 0.863 179 N CB 0.190 38.330 38.487 -0.579 0.000 0.980 179 N HN 0.297 nan 8.380 nan 0.000 0.458 180 L N 1.071 122.189 121.223 -0.175 0.000 2.264 180 L HA 0.496 4.836 4.340 -0.000 0.000 0.289 180 L C -0.931 175.905 176.870 -0.056 0.000 1.044 180 L CA -0.150 54.602 54.840 -0.147 0.000 0.807 180 L CB 0.540 42.467 42.059 -0.220 0.000 1.192 180 L HN -0.040 nan 8.230 nan 0.000 0.425 181 I N 5.874 126.485 120.570 0.068 0.000 2.468 181 I HA 0.508 4.678 4.170 -0.000 0.000 0.284 181 I C -0.303 175.993 176.117 0.298 0.000 1.038 181 I CA -0.637 60.785 61.300 0.203 0.000 1.083 181 I CB 1.751 39.911 38.000 0.267 0.000 1.223 181 I HN 0.751 nan 8.210 nan 0.000 0.443 182 A N 7.674 130.689 122.820 0.324 0.000 2.260 182 A HA 0.797 5.117 4.320 -0.000 0.000 0.308 182 A C -0.627 177.105 177.584 0.246 0.000 1.254 182 A CA -0.296 51.926 52.037 0.308 0.000 0.874 182 A CB 0.385 19.599 19.000 0.357 0.000 1.153 182 A HN 0.652 nan 8.150 nan 0.000 0.527 183 I N 2.562 123.291 120.570 0.265 0.000 2.377 183 I HA 0.296 4.466 4.170 -0.000 0.000 0.293 183 I C -0.698 175.487 176.117 0.114 0.000 0.987 183 I CA -0.405 60.991 61.300 0.161 0.000 1.185 183 I CB 1.466 39.552 38.000 0.144 0.000 1.341 183 I HN 0.667 nan 8.210 nan 0.000 0.455 184 Y N 5.831 126.079 120.300 -0.087 0.000 2.352 184 Y HA 0.411 4.961 4.550 -0.000 0.000 0.339 184 Y C -0.418 175.417 175.900 -0.109 0.000 0.992 184 Y CA -1.717 56.323 58.100 -0.100 0.000 1.100 184 Y CB 1.203 39.592 38.460 -0.117 0.000 1.192 184 Y HN 0.535 nan 8.280 nan 0.000 0.458 185 D N 4.514 124.777 120.400 -0.228 0.000 2.470 185 D HA 0.040 4.680 4.640 -0.000 0.000 0.226 185 D C -0.665 175.347 176.300 -0.480 0.000 1.196 185 D CA 0.175 53.988 54.000 -0.310 0.000 0.979 185 D CB -0.140 40.582 40.800 -0.130 0.000 1.059 185 D HN 0.549 nan 8.370 nan 0.000 0.515 186 D N 2.521 122.519 120.400 -0.671 0.000 2.688 186 D HA -0.049 4.591 4.640 -0.000 0.000 0.228 186 D C 0.872 177.055 176.300 -0.193 0.000 1.116 186 D CA -0.175 53.501 54.000 -0.541 0.000 1.023 186 D CB -0.370 40.130 40.800 -0.501 0.000 1.100 186 D HN 0.349 nan 8.370 nan 0.000 0.487 187 N N 1.249 119.890 118.700 -0.097 0.000 2.398 187 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 187 N C 0.514 176.049 175.510 0.041 0.000 1.122 187 N CA -0.038 53.006 53.050 -0.010 0.000 0.866 187 N CB 0.149 38.654 38.487 0.030 0.000 0.970 187 N HN -0.046 nan 8.380 nan 0.000 0.462 188 K N -0.972 119.466 120.400 0.063 0.000 3.274 188 K HA -0.116 4.204 4.320 -0.000 0.000 0.305 188 K C -0.770 175.893 176.600 0.105 0.000 1.225 188 K CA 0.843 57.185 56.287 0.092 0.000 0.904 188 K CB -1.140 31.399 32.500 0.065 0.000 1.227 188 K HN 0.381 nan 8.250 nan 0.000 0.453 189 I N 0.269 120.904 120.570 0.108 0.000 2.647 189 I HA 0.425 4.595 4.170 -0.000 0.000 0.295 189 I C 0.606 176.767 176.117 0.074 0.000 1.078 189 I CA -0.372 60.990 61.300 0.104 0.000 1.048 189 I CB 2.168 40.246 38.000 0.131 0.000 1.239 189 I HN 0.229 nan 8.210 nan 0.000 0.421 190 T N 1.533 116.092 114.554 0.008 0.000 2.778 190 T HA 0.578 4.928 4.350 -0.000 0.000 0.293 190 T C 1.334 175.915 174.700 -0.199 0.000 1.144 190 T CA -0.690 61.343 62.100 -0.113 0.000 1.010 190 T CB 1.403 70.216 68.868 -0.091 0.000 1.325 190 T HN 0.350 nan 8.240 nan 0.000 0.515 191 I N 0.515 120.877 120.570 -0.347 0.000 2.185 191 I HA -0.206 3.964 4.170 -0.000 0.000 0.246 191 I C 1.691 177.668 176.117 -0.233 0.000 1.088 191 I CA 1.786 62.907 61.300 -0.299 0.000 1.347 191 I CB -0.371 37.469 38.000 -0.266 0.000 1.041 191 I HN 0.648 nan 8.210 nan 0.000 0.415 192 D N 0.053 120.324 120.400 -0.215 0.000 2.289 192 D HA 0.142 4.782 4.640 -0.000 0.000 0.207 192 D C 0.968 177.055 176.300 -0.355 0.000 0.966 192 D CA 1.127 54.981 54.000 -0.244 0.000 0.868 192 D CB 0.425 41.140 40.800 -0.142 0.000 0.943 192 D HN 0.519 nan 8.370 nan 0.000 0.514 193 G N -0.508 108.134 108.800 -0.263 0.000 2.439 193 G HA2 0.337 4.297 3.960 -0.000 0.000 0.186 193 G HA3 0.337 4.297 3.960 -0.000 0.000 0.186 193 G C -1.150 173.754 174.900 0.006 0.000 1.260 193 G CA -0.258 44.745 45.100 -0.163 0.000 1.020 193 G HN 0.247 nan 8.290 nan 0.000 0.470 194 A N 0.143 122.989 122.820 0.045 0.000 2.462 194 A HA 0.526 4.846 4.320 -0.000 0.000 0.243 194 A C 1.898 179.521 177.584 0.065 0.000 1.076 194 A CA 1.471 53.547 52.037 0.066 0.000 0.773 194 A CB -0.003 19.033 19.000 0.061 0.000 1.010 194 A HN 2.084 nan 8.150 nan 0.000 0.493 195 T N 0.461 115.077 114.554 0.102 0.000 2.699 195 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 195 T C 1.934 176.714 174.700 0.132 0.000 1.036 195 T CA 2.073 64.271 62.100 0.164 0.000 1.147 195 T CB -1.070 67.948 68.868 0.249 0.000 0.862 195 T HN 1.345 nan 8.240 nan 0.000 0.446 196 S N 1.788 117.534 115.700 0.077 0.000 2.423 196 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 196 S C 1.845 176.470 174.600 0.042 0.000 1.028 196 S CA 1.063 59.289 58.200 0.043 0.000 1.000 196 S CB -0.996 62.219 63.200 0.026 0.000 0.797 196 S HN 0.376 nan 8.310 nan 0.000 0.487 197 I N 1.941 122.537 120.570 0.042 0.000 3.010 197 I HA -0.074 4.096 4.170 -0.000 0.000 0.271 197 I C 1.929 178.067 176.117 0.035 0.000 1.293 197 I CA 0.917 62.234 61.300 0.028 0.000 1.452 197 I CB -0.231 37.776 38.000 0.012 0.000 1.082 197 I HN 0.708 nan 8.210 nan 0.000 0.484 198 S N -2.151 113.589 115.700 0.068 0.000 3.798 198 S HA 0.126 4.596 4.470 -0.000 0.000 0.227 198 S C 0.313 175.009 174.600 0.160 0.000 1.126 198 S CA -0.428 57.823 58.200 0.086 0.000 1.030 198 S CB -0.130 63.112 63.200 0.070 0.000 1.189 198 S HN 0.026 nan 8.310 nan 0.000 0.464 199 F N 5.228 125.179 119.950 0.002 0.000 2.350 199 F HA 0.574 5.101 4.527 -0.000 0.000 0.365 199 F C -0.310 175.501 175.800 0.019 0.000 1.122 199 F CA -1.137 56.869 58.000 0.010 0.000 1.139 199 F CB 1.068 40.078 39.000 0.015 0.000 1.220 199 F HN 0.371 nan 8.300 nan 0.000 0.499 200 D N 3.158 123.454 120.400 -0.172 0.000 2.636 200 D HA 0.029 4.668 4.640 -0.000 0.000 0.270 200 D C 0.102 176.259 176.300 -0.237 0.000 1.430 200 D CA -0.212 53.665 54.000 -0.205 0.000 0.796 200 D CB -0.677 40.079 40.800 -0.074 0.000 1.117 200 D HN 0.624 nan 8.370 nan 0.000 0.480 201 E N 0.046 120.036 120.200 -0.350 0.000 2.605 201 E HA 0.169 4.519 4.350 -0.000 0.000 0.255 201 E C -0.514 175.938 176.600 -0.245 0.000 1.369 201 E CA -0.549 55.703 56.400 -0.246 0.000 1.017 201 E CB 0.481 30.057 29.700 -0.207 0.000 1.086 201 E HN -0.190 nan 8.360 nan 0.000 0.605 202 D N 0.228 120.541 120.400 -0.145 0.000 2.479 202 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 202 D C 0.584 176.848 176.300 -0.060 0.000 1.119 202 D CA -0.468 53.482 54.000 -0.084 0.000 0.922 202 D CB 1.103 41.874 40.800 -0.047 0.000 1.014 202 D HN 0.348 nan 8.370 nan 0.000 0.510 203 V N 3.328 123.211 119.914 -0.053 0.000 2.219 203 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 203 V C 2.535 178.677 176.094 0.081 0.000 1.053 203 V CA 2.450 64.772 62.300 0.036 0.000 1.009 203 V CB -0.764 31.065 31.823 0.010 0.000 0.636 203 V HN 0.650 nan 8.190 nan 0.000 0.445 204 A N -0.658 122.181 122.820 0.033 0.000 1.884 204 A HA -0.360 3.960 4.320 -0.000 0.000 0.219 204 A C 2.376 179.989 177.584 0.048 0.000 1.197 204 A CA 2.685 54.735 52.037 0.023 0.000 0.637 204 A CB -0.646 18.382 19.000 0.046 0.000 0.827 204 A HN 0.530 nan 8.150 nan 0.000 0.450 205 K N -0.862 119.553 120.400 0.026 0.000 2.097 205 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 205 K C 2.365 178.908 176.600 -0.096 0.000 1.050 205 K CA 1.212 57.492 56.287 -0.011 0.000 0.938 205 K CB -0.189 32.304 32.500 -0.012 0.000 0.718 205 K HN 0.476 nan 8.250 nan 0.000 0.442 206 R N -0.510 119.906 120.500 -0.140 0.000 2.096 206 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 206 R C 1.927 177.837 176.300 -0.650 0.000 1.127 206 R CA 1.541 57.436 56.100 -0.342 0.000 0.968 206 R CB -0.242 29.906 30.300 -0.254 0.000 0.861 206 R HN 0.231 nan 8.270 nan 0.000 0.440 207 Y N 0.748 120.821 120.300 -0.379 0.000 2.314 207 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 207 Y C 2.017 177.847 175.900 -0.116 0.000 1.129 207 Y CA 1.554 59.463 58.100 -0.319 0.000 1.201 207 Y CB 0.171 38.483 38.460 -0.247 0.000 0.999 207 Y HN 0.191 nan 8.280 nan 0.000 0.541 208 E N -0.686 119.530 120.200 0.028 0.000 2.274 208 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 208 E C 2.215 178.815 176.600 -0.001 0.000 0.996 208 E CA 0.642 57.083 56.400 0.068 0.000 0.840 208 E CB -0.129 29.606 29.700 0.057 0.000 0.772 208 E HN 0.445 nan 8.360 nan 0.000 0.491 209 A N 0.386 123.116 122.820 -0.150 0.000 2.066 209 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 209 A C 1.391 178.928 177.584 -0.078 0.000 1.157 209 A CA 0.877 52.821 52.037 -0.155 0.000 0.670 209 A CB -0.372 18.467 19.000 -0.268 0.000 0.804 209 A HN 0.215 nan 8.150 nan 0.000 0.453 210 Y N -0.976 119.322 120.300 -0.003 0.000 2.395 210 Y HA 0.289 4.839 4.550 -0.000 0.000 0.293 210 Y C 1.981 178.002 175.900 0.201 0.000 1.123 210 Y CA 0.139 58.283 58.100 0.073 0.000 1.227 210 Y CB -0.397 38.085 38.460 0.037 0.000 1.012 210 Y HN 0.447 nan 8.280 nan 0.000 0.552 211 G N -2.379 106.629 108.800 0.346 0.000 2.135 211 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.183 211 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.183 211 G C -0.416 174.687 174.900 0.338 0.000 1.004 211 G CA -0.557 44.704 45.100 0.269 0.000 0.677 211 G HN 0.138 nan 8.290 nan 0.000 0.512 212 W N 0.688 122.090 121.300 0.170 0.000 2.332 212 W HA 0.650 5.309 4.660 -0.000 0.000 0.351 212 W C 0.628 177.228 176.519 0.135 0.000 1.195 212 W CA -0.788 56.669 57.345 0.187 0.000 1.334 212 W CB 0.721 30.387 29.460 0.343 0.000 1.206 212 W HN 0.246 nan 8.180 nan 0.000 0.637 213 E N 0.879 121.278 120.200 0.331 0.000 2.249 213 E HA 0.432 4.782 4.350 -0.000 0.000 0.280 213 E C -1.435 175.288 176.600 0.204 0.000 1.016 213 E CA -0.391 56.137 56.400 0.214 0.000 0.830 213 E CB 1.129 30.918 29.700 0.147 0.000 1.081 213 E HN 0.216 nan 8.360 nan 0.000 0.395 214 V N 6.496 126.479 119.914 0.114 0.000 2.328 214 V HA 0.293 4.412 4.120 -0.000 0.000 0.278 214 V C 0.076 176.122 176.094 -0.080 0.000 1.021 214 V CA -0.577 61.703 62.300 -0.033 0.000 0.838 214 V CB 0.779 32.522 31.823 -0.134 0.000 0.999 214 V HN 0.649 nan 8.190 nan 0.000 0.447 215 L N 4.866 126.048 121.223 -0.069 0.000 2.352 215 L HA 0.648 4.988 4.340 -0.000 0.000 0.269 215 L C -1.063 175.763 176.870 -0.073 0.000 1.034 215 L CA -0.793 54.062 54.840 0.025 0.000 0.806 215 L CB 1.543 43.645 42.059 0.072 0.000 1.244 215 L HN 0.467 nan 8.230 nan 0.000 0.447 216 Y N 0.244 120.565 120.300 0.034 0.000 2.446 216 Y HA 0.550 5.100 4.550 -0.000 0.000 0.345 216 Y C -0.280 175.620 175.900 -0.001 0.000 0.984 216 Y CA -0.919 57.190 58.100 0.015 0.000 1.058 216 Y CB 2.131 40.596 38.460 0.009 0.000 1.220 216 Y HN 0.054 nan 8.280 nan 0.000 0.455 217 V N 3.820 123.807 119.914 0.122 0.000 2.376 217 V HA 0.175 4.295 4.120 -0.000 0.000 0.287 217 V C 0.522 176.635 176.094 0.033 0.000 1.015 217 V CA -0.781 61.551 62.300 0.053 0.000 0.834 217 V CB 1.357 33.180 31.823 -0.000 0.000 1.001 217 V HN 0.952 nan 8.190 nan 0.000 0.428 218 E N 3.229 123.447 120.200 0.029 0.000 2.158 218 E HA -0.075 4.275 4.350 -0.000 0.000 0.191 218 E C 0.577 177.165 176.600 -0.019 0.000 0.982 218 E CA 0.505 56.910 56.400 0.008 0.000 0.823 218 E CB 0.269 29.969 29.700 -0.001 0.000 0.766 218 E HN 0.506 nan 8.360 nan 0.000 0.468 219 N N 0.728 119.408 118.700 -0.032 0.000 2.976 219 N HA 0.150 4.890 4.740 -0.000 0.000 0.255 219 N C 0.401 175.857 175.510 -0.090 0.000 1.312 219 N CA -0.066 52.952 53.050 -0.053 0.000 0.897 219 N CB 0.991 39.452 38.487 -0.042 0.000 1.184 219 N HN 0.170 nan 8.380 nan 0.000 0.497 220 G N 1.271 110.007 108.800 -0.107 0.000 2.559 220 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 220 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 220 G C 1.312 176.084 174.900 -0.214 0.000 1.126 220 G CA 0.197 45.210 45.100 -0.146 0.000 0.778 220 G HN 0.428 nan 8.290 nan 0.000 0.543 221 N N 0.984 119.535 118.700 -0.248 0.000 2.250 221 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 221 N C 1.931 177.181 175.510 -0.434 0.000 1.017 221 N CA 1.523 54.292 53.050 -0.469 0.000 0.866 221 N CB 0.031 38.221 38.487 -0.494 0.000 0.985 221 N HN 0.781 nan 8.380 nan 0.000 0.429 222 E N -1.161 118.894 120.200 -0.241 0.000 2.665 222 E HA 0.074 4.424 4.350 -0.000 0.000 0.225 222 E C -0.626 175.884 176.600 -0.151 0.000 0.922 222 E CA -0.216 56.075 56.400 -0.181 0.000 1.242 222 E CB -0.028 29.613 29.700 -0.098 0.000 1.197 222 E HN -0.140 nan 8.360 nan 0.000 0.581 223 D N 2.107 122.426 120.400 -0.136 0.000 2.551 223 D HA 0.140 4.779 4.640 -0.000 0.000 0.223 223 D C 1.024 177.216 176.300 -0.179 0.000 1.144 223 D CA -0.093 53.834 54.000 -0.120 0.000 1.025 223 D CB 0.267 41.023 40.800 -0.074 0.000 1.085 223 D HN 0.201 nan 8.370 nan 0.000 0.506 224 L N 1.718 122.770 121.223 -0.286 0.000 2.012 224 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 224 L C 2.402 178.989 176.870 -0.472 0.000 1.073 224 L CA 1.406 55.908 54.840 -0.564 0.000 0.748 224 L CB -0.516 40.939 42.059 -1.007 0.000 0.891 224 L HN 0.344 nan 8.230 nan 0.000 0.431 225 A N 0.152 122.851 122.820 -0.202 0.000 2.024 225 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 225 A C 2.344 179.948 177.584 0.032 0.000 1.164 225 A CA 1.788 53.854 52.037 0.047 0.000 0.643 225 A CB -0.965 18.089 19.000 0.091 0.000 0.806 225 A HN 0.490 nan 8.150 nan 0.000 0.451 226 G N -0.334 108.455 108.800 -0.017 0.000 2.459 226 G HA2 0.001 3.960 3.960 -0.000 0.000 0.213 226 G HA3 0.001 3.960 3.960 -0.000 0.000 0.213 226 G C 1.478 176.382 174.900 0.006 0.000 1.155 226 G CA 0.756 45.859 45.100 0.005 0.000 0.811 226 G HN 0.443 nan 8.290 nan 0.000 0.534 227 I N 1.602 122.153 120.570 -0.032 0.000 2.208 227 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 227 I C 3.254 179.384 176.117 0.021 0.000 1.097 227 I CA 1.117 62.404 61.300 -0.023 0.000 1.363 227 I CB -0.147 37.808 38.000 -0.074 0.000 1.051 227 I HN 0.233 nan 8.210 nan 0.000 0.413 228 A N 0.257 123.104 122.820 0.045 0.000 1.898 228 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 228 A C 2.362 180.004 177.584 0.098 0.000 1.181 228 A CA 1.348 53.462 52.037 0.129 0.000 0.620 228 A CB -0.355 18.831 19.000 0.311 0.000 0.819 228 A HN 0.178 nan 8.150 nan 0.000 0.442 229 K N -0.160 120.292 120.400 0.085 0.000 2.097 229 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 229 K C 2.241 178.878 176.600 0.061 0.000 1.049 229 K CA 1.209 57.537 56.287 0.069 0.000 0.933 229 K CB -0.469 32.069 32.500 0.064 0.000 0.717 229 K HN 0.438 nan 8.250 nan 0.000 0.442 230 A N 1.346 124.202 122.820 0.060 0.000 1.855 230 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 230 A C 2.222 179.846 177.584 0.066 0.000 1.191 230 A CA 1.311 53.386 52.037 0.064 0.000 0.613 230 A CB -0.580 18.457 19.000 0.061 0.000 0.829 230 A HN 0.230 nan 8.150 nan 0.000 0.442 231 I N -0.009 120.598 120.570 0.061 0.000 2.226 231 I HA -0.288 3.881 4.170 -0.000 0.000 0.245 231 I C 2.961 179.096 176.117 0.031 0.000 1.100 231 I CA 0.983 62.315 61.300 0.054 0.000 1.374 231 I CB -0.477 37.538 38.000 0.025 0.000 1.057 231 I HN 0.360 nan 8.210 nan 0.000 0.413 232 A N 0.686 123.526 122.820 0.032 0.000 1.873 232 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 232 A C 2.286 179.890 177.584 0.033 0.000 1.193 232 A CA 2.437 54.489 52.037 0.025 0.000 0.629 232 A CB -0.809 18.214 19.000 0.038 0.000 0.826 232 A HN 0.454 nan 8.150 nan 0.000 0.447 233 Q N -0.064 119.765 119.800 0.047 0.000 2.084 233 Q HA -0.034 4.305 4.340 -0.000 0.000 0.202 233 Q C 1.991 178.028 176.000 0.060 0.000 0.978 233 Q CA 2.428 58.263 55.803 0.054 0.000 0.844 233 Q CB -0.773 28.002 28.738 0.061 0.000 0.898 233 Q HN 0.555 nan 8.270 nan 0.000 0.426 234 A N 0.626 123.486 122.820 0.066 0.000 1.940 234 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 234 A C 1.985 179.615 177.584 0.076 0.000 1.176 234 A CA 1.791 53.876 52.037 0.079 0.000 0.631 234 A CB -0.535 18.524 19.000 0.097 0.000 0.814 234 A HN 0.442 nan 8.150 nan 0.000 0.446 235 K N -0.548 119.881 120.400 0.048 0.000 2.519 235 K HA 0.056 4.376 4.320 -0.000 0.000 0.196 235 K C 1.361 178.028 176.600 0.112 0.000 1.041 235 K CA 0.673 56.999 56.287 0.064 0.000 0.954 235 K CB -0.224 32.244 32.500 -0.053 0.000 0.774 235 K HN 0.534 nan 8.250 nan 0.000 0.480 236 L N 0.171 121.440 121.223 0.077 0.000 2.298 236 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 236 L C 1.066 177.971 176.870 0.058 0.000 1.084 236 L CA 0.079 54.959 54.840 0.065 0.000 0.816 236 L CB -0.094 41.997 42.059 0.053 0.000 0.967 236 L HN 0.023 nan 8.230 nan 0.000 0.460 237 S N 0.551 116.286 115.700 0.058 0.000 3.944 237 S HA 0.042 4.511 4.470 -0.000 0.000 0.215 237 S C 0.932 175.547 174.600 0.026 0.000 1.220 237 S CA -0.328 57.898 58.200 0.043 0.000 0.950 237 S CB -0.258 62.972 63.200 0.051 0.000 1.615 237 S HN 0.277 nan 8.310 nan 0.000 0.466 238 K N 1.798 122.210 120.400 0.020 0.000 2.148 238 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 238 K C 1.621 178.204 176.600 -0.028 0.000 1.050 238 K CA 1.398 57.682 56.287 -0.005 0.000 0.942 238 K CB -0.161 32.337 32.500 -0.003 0.000 0.724 238 K HN 0.783 nan 8.250 nan 0.000 0.446 239 D N 1.770 122.159 120.400 -0.019 0.000 2.347 239 D HA -0.097 4.543 4.640 -0.000 0.000 0.215 239 D C -0.123 176.149 176.300 -0.046 0.000 0.976 239 D CA 0.561 54.544 54.000 -0.027 0.000 0.884 239 D CB 0.123 40.914 40.800 -0.016 0.000 0.915 239 D HN 0.223 nan 8.370 nan 0.000 0.526 240 K N 0.501 120.868 120.400 -0.054 0.000 2.525 240 K HA 0.451 4.771 4.320 -0.000 0.000 0.254 240 K C -3.138 173.373 176.600 -0.148 0.000 0.934 240 K CA -1.961 54.277 56.287 -0.081 0.000 0.802 240 K CB 2.395 34.898 32.500 0.004 0.000 1.295 240 K HN -0.258 nan 8.250 nan 0.000 0.433 241 P HA 0.018 nan 4.420 nan 0.000 0.271 241 P C -0.663 176.533 177.300 -0.174 0.000 1.233 241 P CA -0.113 62.682 63.100 -0.508 0.000 0.789 241 P CB 0.572 31.522 31.700 -1.249 0.000 0.951 242 T N 1.504 116.072 114.554 0.023 0.000 2.824 242 T HA 0.430 4.779 4.350 -0.000 0.000 0.282 242 T C -0.430 174.546 174.700 0.460 0.000 0.993 242 T CA -0.355 61.912 62.100 0.278 0.000 0.967 242 T CB 0.798 69.768 68.868 0.171 0.000 0.960 242 T HN 0.215 nan 8.240 nan 0.000 0.441 243 L N 4.491 125.969 121.223 0.424 0.000 2.282 243 L HA 0.644 4.984 4.340 -0.000 0.000 0.288 243 L C -1.083 175.804 176.870 0.028 0.000 1.033 243 L CA -0.451 54.461 54.840 0.119 0.000 0.807 243 L CB 0.557 42.412 42.059 -0.341 0.000 1.209 243 L HN 0.630 nan 8.230 nan 0.000 0.423 244 I N 5.294 125.888 120.570 0.039 0.000 2.354 244 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 244 I C -0.090 176.016 176.117 -0.019 0.000 1.007 244 I CA -0.673 60.629 61.300 0.003 0.000 1.167 244 I CB 1.168 39.201 38.000 0.056 0.000 1.320 244 I HN 0.580 nan 8.210 nan 0.000 0.458 245 K N 8.279 128.619 120.400 -0.100 0.000 2.315 245 K HA 0.332 4.652 4.320 -0.000 0.000 0.291 245 K C -0.620 175.921 176.600 -0.098 0.000 1.074 245 K CA -0.189 56.051 56.287 -0.078 0.000 0.936 245 K CB 0.548 32.943 32.500 -0.176 0.000 1.049 245 K HN 0.606 nan 8.250 nan 0.000 0.471 246 M N 4.583 124.075 119.600 -0.180 0.000 2.125 246 M HA 0.210 4.690 4.480 -0.000 0.000 0.321 246 M C -1.083 175.102 176.300 -0.192 0.000 0.983 246 M CA -0.345 54.868 55.300 -0.144 0.000 0.934 246 M CB 1.548 34.062 32.600 -0.143 0.000 1.542 246 M HN 0.445 nan 8.290 nan 0.000 0.424 247 T N 3.397 117.879 114.554 -0.120 0.000 2.832 247 T HA 0.513 4.863 4.350 -0.000 0.000 0.296 247 T C 0.110 174.746 174.700 -0.106 0.000 0.968 247 T CA -0.368 61.663 62.100 -0.114 0.000 1.107 247 T CB 0.828 69.663 68.868 -0.054 0.000 0.916 247 T HN 0.778 nan 8.240 nan 0.000 0.517 248 T N -0.658 113.836 114.554 -0.099 0.000 2.864 248 T HA 0.552 4.902 4.350 -0.000 0.000 0.299 248 T C -0.637 174.055 174.700 -0.013 0.000 1.166 248 T CA -0.883 61.168 62.100 -0.081 0.000 1.007 248 T CB 1.633 70.430 68.868 -0.119 0.000 1.219 248 T HN 0.319 nan 8.240 nan 0.000 0.506 249 T N 2.451 117.037 114.554 0.053 0.000 2.733 249 T HA 0.426 4.775 4.350 -0.000 0.000 0.294 249 T C 0.408 175.178 174.700 0.116 0.000 0.956 249 T CA -0.535 61.630 62.100 0.108 0.000 0.987 249 T CB 0.193 69.177 68.868 0.194 0.000 0.920 249 T HN 0.702 nan 8.240 nan 0.000 0.470 250 I N 2.931 123.558 120.570 0.095 0.000 2.683 250 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 250 I C 1.201 177.388 176.117 0.117 0.000 1.175 250 I CA 1.156 62.521 61.300 0.107 0.000 1.429 250 I CB 0.110 38.185 38.000 0.125 0.000 1.371 250 I HN 0.961 nan 8.210 nan 0.000 0.569 251 G N 5.016 113.888 108.800 0.120 0.000 2.176 251 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 251 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 251 G C 0.131 175.113 174.900 0.137 0.000 1.024 251 G CA 0.231 45.398 45.100 0.111 0.000 0.755 251 G HN 0.845 nan 8.290 nan 0.000 0.507 252 Y N 0.236 120.560 120.300 0.040 0.000 2.969 252 Y HA 0.220 4.770 4.550 -0.000 0.000 0.339 252 Y C 1.725 177.693 175.900 0.114 0.000 1.272 252 Y CA 2.084 60.218 58.100 0.057 0.000 1.577 252 Y CB 0.275 38.761 38.460 0.044 0.000 1.234 252 Y HN 1.411 nan 8.280 nan 0.000 0.590 253 G N 2.852 111.448 108.800 -0.341 0.000 2.241 253 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 253 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 253 G C 0.322 175.086 174.900 -0.227 0.000 0.998 253 G CA 0.212 45.173 45.100 -0.232 0.000 0.621 253 G HN 0.956 nan 8.290 nan 0.000 0.519 254 S N -0.104 115.525 115.700 -0.119 0.000 2.601 254 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 254 S C 1.923 176.439 174.600 -0.139 0.000 1.305 254 S CA -0.033 58.112 58.200 -0.091 0.000 1.022 254 S CB 0.842 64.043 63.200 0.000 0.000 0.940 254 S HN 0.460 nan 8.310 nan 0.000 0.525 255 L N 2.596 123.721 121.223 -0.163 0.000 2.187 255 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 255 L C 0.731 177.325 176.870 -0.460 0.000 1.100 255 L CA 1.276 55.925 54.840 -0.319 0.000 0.765 255 L CB -0.485 41.336 42.059 -0.397 0.000 0.904 255 L HN 0.755 nan 8.230 nan 0.000 0.437 256 H N -1.217 117.816 119.070 -0.062 0.000 2.467 256 H HA 0.439 4.994 4.556 -0.000 0.000 0.275 256 H C 0.453 175.756 175.328 -0.042 0.000 1.131 256 H CA -0.358 55.658 56.048 -0.054 0.000 0.989 256 H CB 0.072 29.802 29.762 -0.054 0.000 1.696 256 H HN 0.130 nan 8.280 nan 0.000 0.574 257 A N 0.625 123.451 122.820 0.010 0.000 2.488 257 A HA 0.453 4.773 4.320 -0.000 0.000 0.249 257 A C 1.620 179.220 177.584 0.028 0.000 1.083 257 A CA 0.719 52.769 52.037 0.021 0.000 0.768 257 A CB -0.440 18.546 19.000 -0.024 0.000 1.017 257 A HN 0.781 nan 8.150 nan 0.000 0.496 258 G N 0.927 109.759 108.800 0.054 0.000 2.195 258 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.246 258 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.246 258 G C 0.624 175.550 174.900 0.044 0.000 0.984 258 G CA 0.620 45.752 45.100 0.053 0.000 0.633 258 G HN 1.661 nan 8.290 nan 0.000 0.525 259 S N 0.057 115.770 115.700 0.021 0.000 2.654 259 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 259 S C 1.758 176.344 174.600 -0.024 0.000 1.180 259 S CA 0.394 58.559 58.200 -0.060 0.000 1.021 259 S CB 0.449 63.568 63.200 -0.134 0.000 1.018 259 S HN 0.545 nan 8.310 nan 0.000 0.532 260 H N 1.814 120.927 119.070 0.071 0.000 2.546 260 H HA 0.021 4.577 4.556 -0.000 0.000 0.277 260 H C 1.714 177.102 175.328 0.100 0.000 1.004 260 H CA 1.175 57.271 56.048 0.079 0.000 1.231 260 H CB -0.718 29.063 29.762 0.031 0.000 1.382 260 H HN 0.560 nan 8.280 nan 0.000 0.580 261 S N 1.825 117.423 115.700 -0.170 0.000 2.399 261 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 261 S C 2.288 176.912 174.600 0.040 0.000 1.022 261 S CA 1.328 59.502 58.200 -0.044 0.000 0.983 261 S CB -1.077 62.041 63.200 -0.138 0.000 0.803 261 S HN 0.458 nan 8.310 nan 0.000 0.480 262 V N -0.100 119.850 119.914 0.060 0.000 3.305 262 V HA -0.033 4.087 4.120 -0.000 0.000 0.269 262 V C 2.170 178.343 176.094 0.131 0.000 1.157 262 V CA 1.681 64.031 62.300 0.082 0.000 1.157 262 V CB -1.540 30.334 31.823 0.084 0.000 0.772 262 V HN 0.506 nan 8.190 nan 0.000 0.498 263 H N 2.536 121.672 119.070 0.110 0.000 2.253 263 H HA 0.051 4.607 4.556 -0.000 0.000 0.296 263 H C 1.899 177.351 175.328 0.206 0.000 1.074 263 H CA 2.527 58.670 56.048 0.158 0.000 1.263 263 H CB -0.406 29.441 29.762 0.142 0.000 1.363 263 H HN 0.516 nan 8.280 nan 0.000 0.489 264 G N -1.493 107.392 108.800 0.141 0.000 3.969 264 G HA2 0.572 4.532 3.960 -0.000 0.000 0.291 264 G HA3 0.572 4.532 3.960 -0.000 0.000 0.291 264 G C -0.723 174.139 174.900 -0.064 0.000 1.016 264 G CA 0.286 45.405 45.100 0.032 0.000 0.819 264 G HN 0.645 nan 8.290 nan 0.000 0.493 265 A N 0.829 123.635 122.820 -0.024 0.000 2.413 265 A HA 0.939 5.259 4.320 -0.000 0.000 0.307 265 A C -2.748 174.815 177.584 -0.034 0.000 1.087 265 A CA -1.678 50.336 52.037 -0.038 0.000 0.750 265 A CB 1.885 20.879 19.000 -0.010 0.000 1.296 265 A HN 0.036 nan 8.150 nan 0.000 0.423 266 P HA 0.119 nan 4.420 nan 0.000 0.266 266 P C -0.368 176.924 177.300 -0.013 0.000 1.195 266 P CA 0.312 63.407 63.100 -0.008 0.000 0.768 266 P CB 0.409 32.112 31.700 0.005 0.000 0.838 267 L N 1.782 122.999 121.223 -0.010 0.000 2.473 267 L HA 0.152 4.492 4.340 -0.000 0.000 0.268 267 L C 1.272 178.134 176.870 -0.014 0.000 1.215 267 L CA -0.283 54.550 54.840 -0.011 0.000 0.823 267 L CB -0.161 41.895 42.059 -0.005 0.000 1.099 267 L HN 0.298 nan 8.230 nan 0.000 0.483 268 K N 0.672 121.062 120.400 -0.015 0.000 2.270 268 K HA 0.196 4.516 4.320 -0.000 0.000 0.276 268 K C 0.805 177.402 176.600 -0.005 0.000 1.023 268 K CA 0.503 56.783 56.287 -0.012 0.000 0.955 268 K CB 1.322 33.815 32.500 -0.013 0.000 0.975 268 K HN 0.603 nan 8.250 nan 0.000 0.471 269 A N 3.333 126.150 122.820 -0.005 0.000 1.896 269 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 269 A C 1.528 179.106 177.584 -0.010 0.000 1.206 269 A CA 2.433 54.466 52.037 -0.006 0.000 0.647 269 A CB -0.854 18.146 19.000 -0.000 0.000 0.828 269 A HN 0.986 nan 8.150 nan 0.000 0.455 270 D N -0.682 119.714 120.400 -0.006 0.000 2.158 270 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 270 D C 1.417 177.706 176.300 -0.018 0.000 0.995 270 D CA 1.652 55.647 54.000 -0.009 0.000 0.846 270 D CB -0.597 40.203 40.800 0.001 0.000 0.941 270 D HN 0.463 nan 8.370 nan 0.000 0.456 271 D N 0.538 120.935 120.400 -0.005 0.000 2.194 271 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 271 D C 2.204 178.475 176.300 -0.048 0.000 0.964 271 D CA 0.313 54.307 54.000 -0.011 0.000 0.846 271 D CB 0.199 41.030 40.800 0.051 0.000 0.962 271 D HN 0.109 nan 8.370 nan 0.000 0.490 272 V N 0.556 120.444 119.914 -0.042 0.000 2.488 272 V HA -0.095 4.025 4.120 -0.000 0.000 0.246 272 V C 2.475 178.527 176.094 -0.071 0.000 1.046 272 V CA 1.123 63.386 62.300 -0.060 0.000 1.053 272 V CB -0.264 31.530 31.823 -0.049 0.000 0.679 272 V HN 0.153 nan 8.190 nan 0.000 0.458 273 K N 0.653 121.022 120.400 -0.052 0.000 2.025 273 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 273 K C 2.323 178.880 176.600 -0.072 0.000 1.049 273 K CA 1.833 58.093 56.287 -0.046 0.000 0.933 273 K CB -0.252 32.231 32.500 -0.029 0.000 0.714 273 K HN 0.667 nan 8.250 nan 0.000 0.438 274 Q N 1.466 121.212 119.800 -0.089 0.000 2.096 274 Q HA -0.200 4.139 4.340 -0.000 0.000 0.204 274 Q C 2.021 177.899 176.000 -0.203 0.000 0.982 274 Q CA 1.536 57.265 55.803 -0.124 0.000 0.850 274 Q CB -0.777 27.887 28.738 -0.123 0.000 0.901 274 Q HN 0.217 nan 8.270 nan 0.000 0.422 275 L N 0.333 121.411 121.223 -0.242 0.000 2.013 275 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 275 L C 2.014 178.629 176.870 -0.425 0.000 1.073 275 L CA 2.106 56.699 54.840 -0.412 0.000 0.753 275 L CB -0.428 41.465 42.059 -0.275 0.000 0.890 275 L HN 0.196 nan 8.230 nan 0.000 0.432 276 K N -0.715 119.572 120.400 -0.189 0.000 1.991 276 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 276 K C 2.029 178.640 176.600 0.018 0.000 1.049 276 K CA 1.864 58.122 56.287 -0.048 0.000 0.932 276 K CB -0.415 32.092 32.500 0.012 0.000 0.717 276 K HN 0.386 nan 8.250 nan 0.000 0.441 277 S N 1.480 117.165 115.700 -0.024 0.000 2.372 277 S HA -0.252 4.218 4.470 -0.000 0.000 0.227 277 S C 1.893 176.473 174.600 -0.032 0.000 1.044 277 S CA 1.684 59.878 58.200 -0.010 0.000 1.050 277 S CB -0.294 62.881 63.200 -0.041 0.000 0.901 277 S HN 0.311 nan 8.310 nan 0.000 0.447 278 K N 0.082 120.379 120.400 -0.171 0.000 2.113 278 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 278 K C 0.917 177.474 176.600 -0.071 0.000 1.047 278 K CA 1.410 57.545 56.287 -0.254 0.000 0.928 278 K CB -0.160 31.984 32.500 -0.593 0.000 0.716 278 K HN 0.316 nan 8.250 nan 0.000 0.446 279 F N -0.439 119.540 119.950 0.049 0.000 2.727 279 F HA 0.300 4.827 4.527 -0.000 0.000 0.302 279 F C 1.288 177.234 175.800 0.243 0.000 1.097 279 F CA 0.171 58.232 58.000 0.102 0.000 1.330 279 F CB 0.538 39.544 39.000 0.009 0.000 1.084 279 F HN 0.261 nan 8.300 nan 0.000 0.578 280 G N 0.023 109.021 108.800 0.329 0.000 2.132 280 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.228 280 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.228 280 G C -0.069 174.941 174.900 0.184 0.000 1.000 280 G CA -0.464 44.761 45.100 0.208 0.000 0.693 280 G HN 0.134 nan 8.290 nan 0.000 0.515 281 F N 0.368 120.342 119.950 0.041 0.000 2.432 281 F HA 0.596 5.123 4.527 -0.000 0.000 0.329 281 F C 0.627 176.429 175.800 0.003 0.000 1.076 281 F CA -1.632 56.382 58.000 0.023 0.000 1.018 281 F CB 1.178 40.199 39.000 0.035 0.000 1.201 281 F HN 0.064 nan 8.300 nan 0.000 0.489 282 N N 4.079 122.864 118.700 0.141 0.000 2.475 282 N HA 0.110 4.850 4.740 -0.000 0.000 0.267 282 N C -1.890 173.674 175.510 0.089 0.000 1.169 282 N CA -1.829 51.268 53.050 0.078 0.000 0.947 282 N CB 1.056 39.567 38.487 0.041 0.000 1.061 282 N HN 0.208 nan 8.380 nan 0.000 0.466 283 P HA 0.028 nan 4.420 nan 0.000 0.236 283 P C -0.395 176.921 177.300 0.026 0.000 1.177 283 P CA 0.845 63.963 63.100 0.030 0.000 0.773 283 P CB 0.504 32.207 31.700 0.006 0.000 0.878 284 D N -0.102 120.318 120.400 0.034 0.000 2.463 284 D HA 0.147 4.787 4.640 -0.000 0.000 0.224 284 D C 0.208 176.537 176.300 0.049 0.000 1.174 284 D CA 0.231 54.251 54.000 0.034 0.000 0.829 284 D CB 0.669 41.485 40.800 0.027 0.000 0.993 284 D HN 0.227 nan 8.370 nan 0.000 0.497 285 K N 0.288 120.726 120.400 0.063 0.000 2.507 285 K HA 0.347 4.667 4.320 -0.000 0.000 0.252 285 K C -0.944 175.712 176.600 0.092 0.000 0.943 285 K CA -0.371 55.965 56.287 0.083 0.000 0.808 285 K CB 2.235 34.786 32.500 0.086 0.000 1.142 285 K HN -0.224 nan 8.250 nan 0.000 0.426 286 S N 2.103 117.873 115.700 0.116 0.000 2.525 286 S HA 0.465 4.935 4.470 -0.000 0.000 0.290 286 S C -0.511 174.255 174.600 0.275 0.000 1.152 286 S CA -0.533 57.740 58.200 0.121 0.000 1.072 286 S CB 0.242 63.574 63.200 0.219 0.000 1.027 286 S HN 0.639 nan 8.310 nan 0.000 0.500 287 F N 0.249 120.227 119.950 0.045 0.000 2.985 287 F HA -0.157 4.370 4.527 -0.000 0.000 0.303 287 F C -0.142 175.701 175.800 0.072 0.000 0.976 287 F CA -0.177 57.845 58.000 0.037 0.000 1.013 287 F CB -1.778 37.231 39.000 0.014 0.000 1.060 287 F HN 0.255 nan 8.300 nan 0.000 0.780 288 V N 1.560 121.595 119.914 0.202 0.000 2.364 288 V HA 0.478 4.598 4.120 -0.000 0.000 0.272 288 V C 0.200 176.413 176.094 0.198 0.000 1.036 288 V CA -0.727 61.694 62.300 0.202 0.000 0.880 288 V CB 1.693 33.640 31.823 0.207 0.000 0.991 288 V HN 0.051 nan 8.190 nan 0.000 0.460 289 V N 7.713 127.714 119.914 0.145 0.000 2.326 289 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 289 V C -2.189 173.891 176.094 -0.023 0.000 1.015 289 V CA -2.008 60.294 62.300 0.002 0.000 0.823 289 V CB 1.403 33.069 31.823 -0.261 0.000 1.009 289 V HN 0.746 nan 8.190 nan 0.000 0.436 290 P HA -0.082 nan 4.420 nan 0.000 0.259 290 P C 0.777 178.069 177.300 -0.015 0.000 1.155 290 P CA 0.469 63.541 63.100 -0.046 0.000 0.759 290 P CB 0.556 32.206 31.700 -0.083 0.000 0.753 291 Q N 3.431 123.278 119.800 0.079 0.000 2.152 291 Q HA -0.249 4.091 4.340 -0.000 0.000 0.206 291 Q C 1.268 177.328 176.000 0.101 0.000 0.985 291 Q CA 1.945 57.848 55.803 0.167 0.000 0.863 291 Q CB -0.366 28.447 28.738 0.125 0.000 0.904 291 Q HN 0.406 nan 8.270 nan 0.000 0.422 292 E N -1.107 119.107 120.200 0.023 0.000 2.265 292 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 292 E C 1.766 178.354 176.600 -0.020 0.000 0.996 292 E CA 0.960 57.361 56.400 0.002 0.000 0.832 292 E CB -0.099 29.576 29.700 -0.041 0.000 0.756 292 E HN 0.204 nan 8.360 nan 0.000 0.491 293 V N -0.292 119.578 119.914 -0.074 0.000 2.379 293 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 293 V C 1.492 177.525 176.094 -0.102 0.000 1.035 293 V CA 1.243 63.433 62.300 -0.183 0.000 1.035 293 V CB -0.441 31.241 31.823 -0.236 0.000 0.673 293 V HN 0.229 nan 8.190 nan 0.000 0.457 294 Y N 1.246 121.560 120.300 0.024 0.000 2.165 294 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 294 Y C 2.497 178.435 175.900 0.064 0.000 1.155 294 Y CA 1.557 59.697 58.100 0.067 0.000 1.164 294 Y CB -0.731 37.767 38.460 0.063 0.000 0.978 294 Y HN 0.358 nan 8.280 nan 0.000 0.513 295 D N -1.624 118.907 120.400 0.218 0.000 2.123 295 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 295 D C 2.018 178.394 176.300 0.126 0.000 0.992 295 D CA 1.776 55.859 54.000 0.139 0.000 0.833 295 D CB -0.654 40.207 40.800 0.102 0.000 0.954 295 D HN 0.403 nan 8.370 nan 0.000 0.455 296 H N -0.181 118.877 119.070 -0.021 0.000 2.293 296 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 296 H C 1.683 177.049 175.328 0.064 0.000 1.082 296 H CA 1.606 57.625 56.048 -0.049 0.000 1.308 296 H CB -0.390 29.252 29.762 -0.199 0.000 1.375 296 H HN 0.096 nan 8.280 nan 0.000 0.495 297 Y N 0.307 120.631 120.300 0.040 0.000 2.293 297 Y HA -0.133 4.416 4.550 -0.000 0.000 0.291 297 Y C 2.785 178.680 175.900 -0.007 0.000 1.137 297 Y CA 1.240 59.338 58.100 -0.003 0.000 1.202 297 Y CB -0.895 37.623 38.460 0.096 0.000 0.990 297 Y HN 0.318 nan 8.280 nan 0.000 0.537 298 Q N 0.809 120.722 119.800 0.187 0.000 2.030 298 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 298 Q C 2.422 178.448 176.000 0.043 0.000 0.986 298 Q CA 2.179 58.040 55.803 0.096 0.000 0.843 298 Q CB -0.242 28.546 28.738 0.083 0.000 0.904 298 Q HN 0.302 nan 8.270 nan 0.000 0.420 299 K N -0.951 119.463 120.400 0.024 0.000 2.057 299 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 299 K C 1.766 178.341 176.600 -0.041 0.000 1.050 299 K CA 1.799 58.080 56.287 -0.009 0.000 0.935 299 K CB -0.172 32.324 32.500 -0.006 0.000 0.715 299 K HN 0.500 nan 8.250 nan 0.000 0.439 300 T N -2.041 112.457 114.554 -0.094 0.000 3.057 300 T HA 0.166 4.516 4.350 -0.000 0.000 0.254 300 T C 1.842 176.525 174.700 -0.029 0.000 1.094 300 T CA 0.263 62.303 62.100 -0.100 0.000 1.088 300 T CB 0.164 68.886 68.868 -0.243 0.000 0.934 300 T HN 0.188 nan 8.240 nan 0.000 0.497 301 I N -1.156 119.420 120.570 0.010 0.000 3.814 301 I HA 0.324 4.494 4.170 -0.000 0.000 0.264 301 I C 1.947 178.065 176.117 0.001 0.000 1.145 301 I CA -0.168 61.139 61.300 0.013 0.000 1.375 301 I CB 0.113 38.125 38.000 0.020 0.000 1.638 301 I HN 0.047 nan 8.210 nan 0.000 0.432 302 L N 1.440 122.664 121.223 0.003 0.000 2.023 302 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 302 L C 2.488 179.338 176.870 -0.032 0.000 1.073 302 L CA 1.728 56.549 54.840 -0.032 0.000 0.745 302 L CB -0.129 41.913 42.059 -0.030 0.000 0.900 302 L HN 0.092 nan 8.230 nan 0.000 0.435 303 K N -0.382 120.007 120.400 -0.018 0.000 2.057 303 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 303 K C -0.455 176.130 176.600 -0.024 0.000 1.049 303 K CA 1.607 57.881 56.287 -0.023 0.000 0.931 303 K CB -0.956 31.536 32.500 -0.013 0.000 0.714 303 K HN 0.316 nan 8.250 nan 0.000 0.440 304 P HA -0.166 nan 4.420 nan 0.000 0.215 304 P C 1.239 178.534 177.300 -0.009 0.000 1.157 304 P CA 1.667 64.763 63.100 -0.006 0.000 0.868 304 P CB -0.145 31.558 31.700 0.004 0.000 0.788 305 G N -0.480 108.314 108.800 -0.011 0.000 2.421 305 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 305 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 305 G C 1.601 176.428 174.900 -0.121 0.000 1.171 305 G CA 0.762 45.855 45.100 -0.013 0.000 0.775 305 G HN 0.143 nan 8.290 nan 0.000 0.543 306 V N 0.713 120.559 119.914 -0.113 0.000 2.407 306 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 306 V C 2.631 178.640 176.094 -0.142 0.000 1.055 306 V CA 2.197 64.409 62.300 -0.148 0.000 1.049 306 V CB -0.553 31.209 31.823 -0.102 0.000 0.662 306 V HN 0.450 nan 8.190 nan 0.000 0.455 307 E N 0.332 120.480 120.200 -0.086 0.000 2.077 307 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 307 E C 2.365 178.921 176.600 -0.073 0.000 0.989 307 E CA 1.325 57.688 56.400 -0.061 0.000 0.800 307 E CB -0.386 29.299 29.700 -0.025 0.000 0.746 307 E HN 0.597 nan 8.360 nan 0.000 0.452 308 A N 1.621 124.397 122.820 -0.074 0.000 1.917 308 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 308 A C 2.013 179.430 177.584 -0.278 0.000 1.182 308 A CA 1.833 53.844 52.037 -0.042 0.000 0.633 308 A CB -0.566 18.494 19.000 0.101 0.000 0.819 308 A HN 0.158 nan 8.150 nan 0.000 0.448 309 N N -0.051 118.226 118.700 -0.705 0.000 2.354 309 N HA -0.125 4.615 4.740 -0.000 0.000 0.179 309 N C 1.517 176.819 175.510 -0.347 0.000 1.021 309 N CA 1.369 53.782 53.050 -1.063 0.000 0.887 309 N CB -0.512 37.274 38.487 -1.169 0.000 0.974 309 N HN 0.593 nan 8.380 nan 0.000 0.437 310 N N 0.679 119.259 118.700 -0.200 0.000 2.051 310 N HA -0.100 4.640 4.740 -0.000 0.000 0.192 310 N C 1.354 176.861 175.510 -0.004 0.000 1.049 310 N CA 1.519 54.523 53.050 -0.076 0.000 0.845 310 N CB -0.116 38.332 38.487 -0.065 0.000 1.031 310 N HN -0.094 nan 8.380 nan 0.000 0.425 311 K N -0.320 120.090 120.400 0.015 0.000 2.113 311 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 311 K C 1.661 178.328 176.600 0.112 0.000 1.047 311 K CA 1.111 57.433 56.287 0.059 0.000 0.928 311 K CB -0.765 31.781 32.500 0.075 0.000 0.716 311 K HN 0.430 nan 8.250 nan 0.000 0.446 312 W N 1.610 122.933 121.300 0.039 0.000 2.355 312 W HA -0.149 4.511 4.660 -0.000 0.000 0.309 312 W C 1.440 178.051 176.519 0.153 0.000 1.206 312 W CA 1.830 59.261 57.345 0.143 0.000 1.284 312 W CB -0.471 29.163 29.460 0.291 0.000 1.145 312 W HN 0.149 nan 8.180 nan 0.000 0.502 313 N N -0.029 118.758 118.700 0.147 0.000 2.069 313 N HA -0.249 4.491 4.740 -0.000 0.000 0.191 313 N C 1.925 177.417 175.510 -0.029 0.000 1.031 313 N CA 1.593 54.679 53.050 0.060 0.000 0.852 313 N CB -0.357 38.202 38.487 0.121 0.000 1.018 313 N HN -0.069 nan 8.380 nan 0.000 0.423 314 K N 0.987 121.383 120.400 -0.007 0.000 2.074 314 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 314 K C 2.044 178.650 176.600 0.011 0.000 1.048 314 K CA 0.969 57.255 56.287 -0.001 0.000 0.926 314 K CB -0.508 32.000 32.500 0.014 0.000 0.713 314 K HN 0.184 nan 8.250 nan 0.000 0.444 315 L N 0.218 121.438 121.223 -0.004 0.000 2.093 315 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 315 L C 2.179 179.109 176.870 0.099 0.000 1.085 315 L CA 1.376 56.265 54.840 0.082 0.000 0.755 315 L CB -0.468 41.600 42.059 0.015 0.000 0.904 315 L HN 0.053 nan 8.230 nan 0.000 0.435 316 F N 0.026 119.760 119.950 -0.360 0.000 2.259 316 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 316 F C 2.577 178.311 175.800 -0.110 0.000 1.088 316 F CA 1.152 58.926 58.000 -0.376 0.000 1.358 316 F CB -0.791 37.739 39.000 -0.783 0.000 1.040 316 F HN 0.297 nan 8.300 nan 0.000 0.505 317 S N -0.315 115.273 115.700 -0.186 0.000 2.387 317 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 317 S C 1.783 176.315 174.600 -0.113 0.000 1.026 317 S CA 0.922 58.992 58.200 -0.218 0.000 0.972 317 S CB -0.512 62.612 63.200 -0.127 0.000 0.814 317 S HN 0.344 nan 8.310 nan 0.000 0.477 318 E N 1.285 121.483 120.200 -0.003 0.000 2.038 318 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 318 E C 1.755 178.332 176.600 -0.038 0.000 1.000 318 E CA 1.379 57.809 56.400 0.050 0.000 0.803 318 E CB -0.783 29.052 29.700 0.224 0.000 0.750 318 E HN 0.746 nan 8.360 nan 0.000 0.448 319 Y N 2.101 122.286 120.300 -0.192 0.000 2.139 319 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 319 Y C 2.272 178.058 175.900 -0.189 0.000 1.179 319 Y CA 2.354 60.223 58.100 -0.384 0.000 1.161 319 Y CB -0.152 38.235 38.460 -0.121 0.000 0.970 319 Y HN 0.112 nan 8.280 nan 0.000 0.511 320 Q N -0.169 119.606 119.800 -0.042 0.000 2.224 320 Q HA -0.163 4.177 4.340 -0.000 0.000 0.203 320 Q C 2.075 177.973 176.000 -0.170 0.000 0.970 320 Q CA 1.482 57.215 55.803 -0.117 0.000 0.865 320 Q CB -0.082 28.523 28.738 -0.222 0.000 0.922 320 Q HN 0.517 nan 8.270 nan 0.000 0.445 321 K N 0.515 120.807 120.400 -0.180 0.000 2.031 321 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 321 K C 2.084 178.525 176.600 -0.264 0.000 1.049 321 K CA 0.689 56.870 56.287 -0.177 0.000 0.939 321 K CB 0.071 32.491 32.500 -0.132 0.000 0.717 321 K HN -0.043 nan 8.250 nan 0.000 0.438 322 K N 0.131 120.304 120.400 -0.379 0.000 2.057 322 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 322 K C 0.140 176.170 176.600 -0.950 0.000 1.050 322 K CA 1.079 56.964 56.287 -0.670 0.000 0.935 322 K CB 0.173 32.199 32.500 -0.789 0.000 0.715 322 K HN 0.042 nan 8.250 nan 0.000 0.439 323 F N 0.434 120.087 119.950 -0.495 0.000 2.550 323 F HA 0.264 4.791 4.527 -0.000 0.000 0.348 323 F C -1.903 173.717 175.800 -0.300 0.000 1.219 323 F CA -2.241 55.489 58.000 -0.449 0.000 1.203 323 F CB 1.511 40.041 39.000 -0.783 0.000 1.436 323 F HN -0.071 nan 8.300 nan 0.000 0.541 324 P HA -0.200 nan 4.420 nan 0.000 0.214 324 P C 1.373 178.679 177.300 0.011 0.000 1.163 324 P CA 1.652 64.715 63.100 -0.061 0.000 0.889 324 P CB 0.425 32.082 31.700 -0.072 0.000 0.790 325 E N -0.949 119.272 120.200 0.035 0.000 2.031 325 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 325 E C 1.921 178.605 176.600 0.140 0.000 0.994 325 E CA 0.958 57.402 56.400 0.072 0.000 0.800 325 E CB -1.327 28.415 29.700 0.069 0.000 0.752 325 E HN 0.045 nan 8.360 nan 0.000 0.447 326 L N 0.184 121.521 121.223 0.190 0.000 2.046 326 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 326 L C 2.169 179.285 176.870 0.411 0.000 1.077 326 L CA 2.134 57.184 54.840 0.350 0.000 0.747 326 L CB -1.248 41.018 42.059 0.345 0.000 0.896 326 L HN 0.263 nan 8.230 nan 0.000 0.432 327 G N -1.501 107.509 108.800 0.349 0.000 2.418 327 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 327 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 327 G C 1.657 176.670 174.900 0.189 0.000 1.158 327 G CA 0.843 46.158 45.100 0.358 0.000 0.771 327 G HN 0.538 nan 8.290 nan 0.000 0.545 328 A N 0.747 123.635 122.820 0.114 0.000 1.877 328 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 328 A C 2.144 179.786 177.584 0.096 0.000 1.186 328 A CA 2.038 54.120 52.037 0.076 0.000 0.620 328 A CB -0.537 18.492 19.000 0.049 0.000 0.822 328 A HN 0.478 nan 8.150 nan 0.000 0.443 329 E N -0.684 119.588 120.200 0.120 0.000 2.058 329 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 329 E C 1.904 178.544 176.600 0.067 0.000 0.997 329 E CA 1.583 58.052 56.400 0.115 0.000 0.801 329 E CB -0.211 29.604 29.700 0.192 0.000 0.746 329 E HN 0.435 nan 8.360 nan 0.000 0.450 330 L N 0.616 121.858 121.223 0.030 0.000 2.072 330 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 330 L C 2.242 179.145 176.870 0.054 0.000 1.079 330 L CA 2.068 56.816 54.840 -0.152 0.000 0.752 330 L CB -0.682 41.146 42.059 -0.385 0.000 0.906 330 L HN 0.182 nan 8.230 nan 0.000 0.436 331 A N -0.470 122.496 122.820 0.242 0.000 2.019 331 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 331 A C 2.526 180.182 177.584 0.120 0.000 1.164 331 A CA 1.634 53.830 52.037 0.264 0.000 0.644 331 A CB -0.651 18.465 19.000 0.193 0.000 0.805 331 A HN 0.510 nan 8.150 nan 0.000 0.449 332 R N -0.334 120.210 120.500 0.073 0.000 2.075 332 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 332 R C 2.310 178.618 176.300 0.013 0.000 1.126 332 R CA 1.336 57.461 56.100 0.042 0.000 0.963 332 R CB -0.249 30.073 30.300 0.037 0.000 0.858 332 R HN 0.523 nan 8.270 nan 0.000 0.435 333 R N 0.264 120.755 120.500 -0.014 0.000 2.081 333 R HA -0.096 4.243 4.340 -0.000 0.000 0.235 333 R C 2.412 178.686 176.300 -0.043 0.000 1.131 333 R CA 1.502 57.568 56.100 -0.058 0.000 0.960 333 R CB -0.357 29.876 30.300 -0.112 0.000 0.856 333 R HN 0.262 nan 8.270 nan 0.000 0.436 334 L N 0.591 121.801 121.223 -0.021 0.000 2.093 334 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 334 L C 2.357 179.246 176.870 0.033 0.000 1.085 334 L CA 1.339 56.180 54.840 0.002 0.000 0.755 334 L CB -0.418 41.666 42.059 0.041 0.000 0.904 334 L HN 0.267 nan 8.230 nan 0.000 0.435 335 S N -0.596 115.132 115.700 0.047 0.000 2.607 335 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 335 S C 1.593 176.213 174.600 0.034 0.000 0.969 335 S CA 0.389 58.618 58.200 0.048 0.000 0.927 335 S CB 0.012 63.245 63.200 0.054 0.000 0.772 335 S HN 0.553 nan 8.310 nan 0.000 0.533 336 G N 0.137 108.947 108.800 0.017 0.000 2.148 336 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 336 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 336 G C -0.179 174.723 174.900 0.003 0.000 0.981 336 G CA 0.172 45.277 45.100 0.007 0.000 0.670 336 G HN 0.577 nan 8.290 nan 0.000 0.528 337 Q N -0.611 119.195 119.800 0.009 0.000 2.293 337 Q HA 0.687 5.027 4.340 -0.000 0.000 0.251 337 Q C 0.513 176.505 176.000 -0.013 0.000 0.930 337 Q CA -0.551 55.261 55.803 0.014 0.000 0.893 337 Q CB 1.165 29.924 28.738 0.035 0.000 1.215 337 Q HN 0.230 nan 8.270 nan 0.000 0.425 338 L N 4.141 125.352 121.223 -0.020 0.000 2.436 338 L HA 0.368 4.708 4.340 -0.000 0.000 0.265 338 L C -2.064 174.831 176.870 0.043 0.000 1.168 338 L CA -1.948 52.835 54.840 -0.094 0.000 0.815 338 L CB 0.082 42.008 42.059 -0.223 0.000 1.109 338 L HN 0.557 nan 8.230 nan 0.000 0.462 339 P HA 0.056 nan 4.420 nan 0.000 0.265 339 P C -1.031 176.423 177.300 0.257 0.000 1.187 339 P CA -0.175 63.011 63.100 0.143 0.000 0.766 339 P CB 0.355 32.131 31.700 0.127 0.000 0.820 340 A N 3.774 126.683 122.820 0.148 0.000 2.545 340 A HA 0.037 4.357 4.320 -0.000 0.000 0.253 340 A C 0.874 178.506 177.584 0.080 0.000 1.074 340 A CA 0.107 52.209 52.037 0.108 0.000 0.760 340 A CB -0.989 18.047 19.000 0.059 0.000 1.005 340 A HN 0.711 nan 8.150 nan 0.000 0.506 341 N N 1.008 119.728 118.700 0.034 0.000 2.725 341 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 341 N C 0.777 176.223 175.510 -0.107 0.000 1.103 341 N CA 1.265 54.268 53.050 -0.079 0.000 0.707 341 N CB -1.077 37.373 38.487 -0.062 0.000 1.043 341 N HN 1.009 nan 8.380 nan 0.000 0.553 342 W N 1.436 122.721 121.300 -0.026 0.000 2.350 342 W HA -0.178 4.482 4.660 -0.000 0.000 0.289 342 W C 1.498 177.993 176.519 -0.041 0.000 1.215 342 W CA 1.386 58.709 57.345 -0.037 0.000 1.236 342 W CB -0.702 28.739 29.460 -0.033 0.000 1.130 342 W HN 0.289 nan 8.180 nan 0.000 0.541 343 E N 2.069 121.473 120.200 -1.326 0.000 2.171 343 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 343 E C 2.053 178.320 176.600 -0.554 0.000 0.997 343 E CA 2.285 57.931 56.400 -1.257 0.000 0.810 343 E CB -1.226 27.885 29.700 -0.982 0.000 0.738 343 E HN 0.395 nan 8.360 nan 0.000 0.467 344 S N 1.103 116.596 115.700 -0.345 0.000 2.442 344 S HA -0.133 4.337 4.470 -0.000 0.000 0.236 344 S C 1.862 176.367 174.600 -0.158 0.000 1.007 344 S CA 1.197 59.275 58.200 -0.205 0.000 0.965 344 S CB -0.269 62.846 63.200 -0.141 0.000 0.773 344 S HN 0.210 nan 8.310 nan 0.000 0.504 345 K N 0.380 120.695 120.400 -0.141 0.000 2.525 345 K HA 0.244 4.564 4.320 -0.000 0.000 0.192 345 K C -0.119 176.428 176.600 -0.088 0.000 1.029 345 K CA -0.088 56.146 56.287 -0.088 0.000 1.029 345 K CB -0.213 32.264 32.500 -0.039 0.000 0.814 345 K HN 0.445 nan 8.250 nan 0.000 0.503 346 L N 2.603 123.750 121.223 -0.126 0.000 2.380 346 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 346 L C -2.148 174.674 176.870 -0.081 0.000 1.138 346 L CA -2.144 52.641 54.840 -0.092 0.000 0.832 346 L CB 0.451 42.437 42.059 -0.123 0.000 1.124 346 L HN -0.070 nan 8.230 nan 0.000 0.454 347 P HA 0.146 nan 4.420 nan 0.000 0.271 347 P C -0.799 176.451 177.300 -0.084 0.000 1.220 347 P CA -0.283 62.754 63.100 -0.105 0.000 0.768 347 P CB 0.780 32.460 31.700 -0.033 0.000 0.848 348 T N 0.700 115.104 114.554 -0.250 0.000 2.912 348 T HA 0.694 5.044 4.350 -0.000 0.000 0.288 348 T C -0.818 173.668 174.700 -0.357 0.000 1.030 348 T CA -0.597 61.429 62.100 -0.124 0.000 1.020 348 T CB 0.942 69.769 68.868 -0.070 0.000 1.056 348 T HN 0.167 nan 8.240 nan 0.000 0.480 349 Y N -0.225 120.076 120.300 0.000 0.000 2.609 349 Y HA 0.703 5.253 4.550 -0.000 0.000 0.342 349 Y C 0.690 176.597 175.900 0.012 0.000 1.058 349 Y CA -0.973 57.132 58.100 0.008 0.000 1.055 349 Y CB 2.284 40.753 38.460 0.015 0.000 1.292 349 Y HN 1.053 nan 8.280 nan 0.000 0.476 350 T N -2.577 112.079 114.554 0.170 0.000 2.888 350 T HA 0.680 5.030 4.350 -0.000 0.000 0.288 350 T C 0.500 175.264 174.700 0.107 0.000 1.063 350 T CA -0.431 61.733 62.100 0.107 0.000 1.010 350 T CB 1.573 70.478 68.868 0.061 0.000 1.214 350 T HN 0.750 nan 8.240 nan 0.000 0.533 351 A N -0.166 122.698 122.820 0.075 0.000 2.235 351 A HA 0.140 4.459 4.320 -0.000 0.000 0.208 351 A C 1.814 179.429 177.584 0.050 0.000 1.172 351 A CA 0.401 52.473 52.037 0.059 0.000 0.786 351 A CB -0.778 18.250 19.000 0.046 0.000 0.804 351 A HN 0.829 nan 8.150 nan 0.000 0.479 352 K N 0.259 120.691 120.400 0.053 0.000 2.305 352 K HA 0.025 4.345 4.320 -0.000 0.000 0.199 352 K C -0.437 176.195 176.600 0.053 0.000 1.047 352 K CA 0.252 56.564 56.287 0.043 0.000 0.976 352 K CB 0.018 32.539 32.500 0.035 0.000 0.765 352 K HN 0.373 nan 8.250 nan 0.000 0.474 353 D N 1.499 121.946 120.400 0.079 0.000 2.360 353 D HA 0.051 4.691 4.640 -0.000 0.000 0.242 353 D C 0.164 176.510 176.300 0.077 0.000 1.184 353 D CA 0.071 54.134 54.000 0.104 0.000 0.930 353 D CB 0.858 41.780 40.800 0.204 0.000 1.161 353 D HN -0.019 nan 8.370 nan 0.000 0.447 354 S N -0.549 115.195 115.700 0.073 0.000 2.672 354 S HA 0.620 5.090 4.470 -0.000 0.000 0.276 354 S C -0.041 174.569 174.600 0.017 0.000 1.207 354 S CA -1.100 57.124 58.200 0.040 0.000 1.002 354 S CB 1.258 64.481 63.200 0.039 0.000 0.998 354 S HN 0.555 nan 8.310 nan 0.000 0.542 355 A N 1.145 123.968 122.820 0.004 0.000 2.492 355 A HA 0.536 4.856 4.320 -0.000 0.000 0.254 355 A C -0.258 177.318 177.584 -0.013 0.000 1.091 355 A CA -0.355 51.674 52.037 -0.013 0.000 0.768 355 A CB -0.616 18.377 19.000 -0.012 0.000 1.028 355 A HN 0.772 nan 8.150 nan 0.000 0.498 356 V N 1.528 121.424 119.914 -0.031 0.000 2.888 356 V HA 0.661 4.780 4.120 -0.000 0.000 0.309 356 V C 0.497 176.569 176.094 -0.037 0.000 1.114 356 V CA -0.581 61.702 62.300 -0.029 0.000 0.940 356 V CB 1.420 33.215 31.823 -0.046 0.000 1.021 356 V HN 1.307 nan 8.190 nan 0.000 0.426 357 A N 1.688 124.493 122.820 -0.024 0.000 2.462 357 A HA 0.466 4.786 4.320 -0.000 0.000 0.243 357 A C 1.405 178.975 177.584 -0.024 0.000 1.076 357 A CA 0.500 52.521 52.037 -0.027 0.000 0.773 357 A CB 0.237 19.221 19.000 -0.027 0.000 1.010 357 A HN 1.266 nan 8.150 nan 0.000 0.493 358 T N 0.095 114.638 114.554 -0.018 0.000 3.007 358 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 358 T C 1.680 176.399 174.700 0.033 0.000 1.107 358 T CA 1.236 63.334 62.100 -0.002 0.000 1.118 358 T CB -0.307 68.570 68.868 0.015 0.000 0.889 358 T HN 0.750 nan 8.240 nan 0.000 0.506 359 R N 1.374 121.894 120.500 0.032 0.000 2.096 359 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 359 R C 2.364 178.706 176.300 0.070 0.000 1.127 359 R CA 1.522 57.661 56.100 0.065 0.000 0.968 359 R CB -0.176 30.148 30.300 0.040 0.000 0.861 359 R HN 0.292 nan 8.270 nan 0.000 0.440 360 K N 0.766 121.193 120.400 0.045 0.000 2.062 360 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 360 K C 2.007 178.637 176.600 0.050 0.000 1.051 360 K CA 1.193 57.511 56.287 0.050 0.000 0.941 360 K CB -0.258 32.265 32.500 0.039 0.000 0.719 360 K HN 0.234 nan 8.250 nan 0.000 0.440 361 L N 0.416 121.656 121.223 0.028 0.000 2.127 361 L HA -0.174 4.165 4.340 -0.000 0.000 0.211 361 L C 2.483 179.379 176.870 0.043 0.000 1.089 361 L CA 1.460 56.313 54.840 0.021 0.000 0.757 361 L CB -0.654 41.367 42.059 -0.063 0.000 0.899 361 L HN 0.272 nan 8.230 nan 0.000 0.434 362 S N -0.273 115.464 115.700 0.062 0.000 2.359 362 S HA -0.277 4.193 4.470 -0.000 0.000 0.224 362 S C 2.014 176.604 174.600 -0.017 0.000 1.035 362 S CA 1.778 60.019 58.200 0.067 0.000 1.018 362 S CB -0.192 63.098 63.200 0.150 0.000 0.876 362 S HN 0.473 nan 8.310 nan 0.000 0.448 363 E N -0.405 119.822 120.200 0.044 0.000 2.085 363 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 363 E C 1.837 178.462 176.600 0.042 0.000 0.994 363 E CA 1.706 58.141 56.400 0.058 0.000 0.801 363 E CB -0.337 29.410 29.700 0.078 0.000 0.743 363 E HN 0.588 nan 8.360 nan 0.000 0.453 364 T N 0.403 114.981 114.554 0.040 0.000 2.867 364 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 364 T C 1.927 176.624 174.700 -0.006 0.000 1.057 364 T CA 1.008 63.135 62.100 0.045 0.000 1.136 364 T CB -0.100 68.822 68.868 0.090 0.000 0.874 364 T HN 0.016 nan 8.240 nan 0.000 0.466 365 V N 1.428 121.288 119.914 -0.091 0.000 2.307 365 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 365 V C 2.488 178.452 176.094 -0.216 0.000 1.045 365 V CA 1.428 63.609 62.300 -0.198 0.000 1.024 365 V CB -0.624 30.929 31.823 -0.450 0.000 0.651 365 V HN 0.432 nan 8.190 nan 0.000 0.449 366 L N -0.325 120.753 121.223 -0.242 0.000 1.990 366 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 366 L C 2.636 179.523 176.870 0.028 0.000 1.072 366 L CA 2.070 56.837 54.840 -0.123 0.000 0.755 366 L CB -0.618 41.448 42.059 0.012 0.000 0.889 366 L HN 0.350 nan 8.230 nan 0.000 0.432 367 E N 0.108 120.367 120.200 0.098 0.000 2.118 367 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 367 E C 1.453 178.129 176.600 0.127 0.000 0.992 367 E CA 1.346 57.853 56.400 0.179 0.000 0.804 367 E CB -0.008 29.773 29.700 0.135 0.000 0.741 367 E HN 0.366 nan 8.360 nan 0.000 0.458 368 D N -1.357 119.054 120.400 0.018 0.000 2.349 368 D HA 0.002 4.642 4.640 -0.000 0.000 0.214 368 D C 1.014 177.266 176.300 -0.079 0.000 1.063 368 D CA 0.640 54.620 54.000 -0.033 0.000 0.847 368 D CB 1.049 41.829 40.800 -0.033 0.000 0.933 368 D HN 0.252 nan 8.370 nan 0.000 0.513 369 V N -2.043 117.811 119.914 -0.101 0.000 3.411 369 V HA 0.082 4.202 4.120 -0.000 0.000 0.287 369 V C 1.879 177.840 176.094 -0.222 0.000 1.543 369 V CA -0.372 61.864 62.300 -0.107 0.000 1.028 369 V CB -0.892 30.943 31.823 0.020 0.000 0.840 369 V HN 0.054 nan 8.190 nan 0.000 0.435 370 Y N 0.977 121.026 120.300 -0.419 0.000 2.165 370 Y HA -0.041 4.509 4.550 -0.000 0.000 0.286 370 Y C 2.099 177.770 175.900 -0.381 0.000 1.155 370 Y CA 2.150 59.871 58.100 -0.630 0.000 1.164 370 Y CB -1.185 36.378 38.460 -1.495 0.000 0.978 370 Y HN 0.303 nan 8.280 nan 0.000 0.513 371 N N -0.186 117.822 118.700 -1.154 0.000 2.512 371 N HA -0.161 4.579 4.740 -0.000 0.000 0.183 371 N C 1.547 176.860 175.510 -0.328 0.000 1.073 371 N CA 0.641 53.244 53.050 -0.744 0.000 0.911 371 N CB 0.013 37.942 38.487 -0.931 0.000 0.964 371 N HN 0.471 nan 8.380 nan 0.000 0.447 372 Q N 0.523 120.164 119.800 -0.265 0.000 2.163 372 Q HA 0.120 4.460 4.340 -0.000 0.000 0.198 372 Q C 0.160 176.111 176.000 -0.081 0.000 0.954 372 Q CA 0.996 56.734 55.803 -0.108 0.000 0.851 372 Q CB 0.312 29.035 28.738 -0.025 0.000 0.928 372 Q HN 0.265 nan 8.270 nan 0.000 0.459 373 L N 2.576 123.725 121.223 -0.123 0.000 2.435 373 L HA 0.358 4.698 4.340 -0.000 0.000 0.253 373 L C -1.782 175.047 176.870 -0.068 0.000 1.087 373 L CA -1.352 53.416 54.840 -0.120 0.000 0.950 373 L CB 1.285 43.229 42.059 -0.192 0.000 1.304 373 L HN 0.075 nan 8.230 nan 0.000 0.453 374 P HA -0.192 nan 4.420 nan 0.000 0.226 374 P C 0.792 178.116 177.300 0.039 0.000 1.146 374 P CA 1.116 64.237 63.100 0.035 0.000 0.773 374 P CB 0.293 32.031 31.700 0.062 0.000 0.772 375 E N -0.406 119.780 120.200 -0.023 0.000 2.481 375 E HA -0.032 4.317 4.350 -0.000 0.000 0.195 375 E C 0.692 177.324 176.600 0.054 0.000 1.047 375 E CA -0.175 56.176 56.400 -0.082 0.000 0.867 375 E CB -0.595 29.000 29.700 -0.175 0.000 0.858 375 E HN 0.239 nan 8.360 nan 0.000 0.513 376 L N 2.178 123.450 121.223 0.081 0.000 2.315 376 L HA 0.321 4.661 4.340 -0.000 0.000 0.283 376 L C -0.339 176.696 176.870 0.275 0.000 1.089 376 L CA -0.185 54.755 54.840 0.167 0.000 0.833 376 L CB 0.642 42.769 42.059 0.113 0.000 1.170 376 L HN 0.146 nan 8.230 nan 0.000 0.442 377 I N 4.675 125.387 120.570 0.237 0.000 2.498 377 I HA 0.820 4.990 4.170 -0.000 0.000 0.290 377 I C -0.221 175.829 176.117 -0.112 0.000 1.032 377 I CA -0.207 61.182 61.300 0.149 0.000 1.073 377 I CB 1.610 39.631 38.000 0.035 0.000 1.251 377 I HN 0.658 nan 8.210 nan 0.000 0.426 378 G N 3.807 112.441 108.800 -0.278 0.000 2.730 378 G HA2 0.874 4.833 3.960 -0.000 0.000 0.289 378 G HA3 0.874 4.833 3.960 -0.000 0.000 0.289 378 G C -0.996 173.347 174.900 -0.929 0.000 1.341 378 G CA -0.610 43.826 45.100 -1.107 0.000 0.932 378 G HN 1.019 nan 8.290 nan 0.000 0.481 379 G N -1.645 106.621 108.800 -0.889 0.000 2.506 379 G HA2 0.600 4.559 3.960 -0.000 0.000 0.292 379 G HA3 0.600 4.559 3.960 -0.000 0.000 0.292 379 G C -1.479 173.246 174.900 -0.292 0.000 1.425 379 G CA 0.368 44.919 45.100 -0.914 0.000 0.788 379 G HN 1.231 nan 8.290 nan 0.000 0.490 380 S N -1.558 114.068 115.700 -0.123 0.000 2.570 380 S HA 0.723 5.193 4.470 -0.000 0.000 0.286 380 S C -0.102 174.535 174.600 0.062 0.000 1.099 380 S CA 0.279 58.507 58.200 0.046 0.000 0.913 380 S CB 1.597 64.888 63.200 0.152 0.000 1.085 380 S HN 1.894 nan 8.310 nan 0.000 0.480 381 A N 2.888 125.708 122.820 -0.000 0.000 3.016 381 A HA 0.511 4.831 4.320 -0.000 0.000 0.303 381 A C 0.302 177.856 177.584 -0.051 0.000 1.507 381 A CA -0.026 52.007 52.037 -0.006 0.000 1.196 381 A CB -1.247 17.728 19.000 -0.042 0.000 1.169 381 A HN 1.093 nan 8.150 nan 0.000 0.544 382 D N -0.211 120.175 120.400 -0.023 0.000 2.911 382 D HA -0.163 4.477 4.640 -0.000 0.000 0.227 382 D C 0.103 176.353 176.300 -0.083 0.000 1.164 382 D CA 1.404 55.375 54.000 -0.049 0.000 0.782 382 D CB -1.261 39.495 40.800 -0.073 0.000 1.094 382 D HN 0.519 nan 8.370 nan 0.000 0.425 383 L N -0.749 120.431 121.223 -0.073 0.000 3.358 383 L HA 0.190 4.530 4.340 -0.000 0.000 0.301 383 L C 1.830 178.714 176.870 0.023 0.000 1.276 383 L CA 0.014 54.794 54.840 -0.101 0.000 1.028 383 L CB 0.393 42.274 42.059 -0.296 0.000 1.421 383 L HN -0.027 nan 8.230 nan 0.000 0.604 384 T N 1.341 115.941 114.554 0.076 0.000 2.649 384 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 384 T C -0.503 174.245 174.700 0.081 0.000 1.036 384 T CA 2.008 64.180 62.100 0.120 0.000 1.157 384 T CB -0.839 68.092 68.868 0.105 0.000 0.861 384 T HN 0.326 nan 8.240 nan 0.000 0.445 385 P HA 0.083 nan 4.420 nan 0.000 0.221 385 P C 1.246 178.621 177.300 0.125 0.000 1.150 385 P CA 1.006 64.147 63.100 0.069 0.000 0.800 385 P CB 0.027 31.754 31.700 0.046 0.000 0.787 386 S N -0.433 115.363 115.700 0.159 0.000 2.470 386 S HA 0.069 4.539 4.470 -0.000 0.000 0.222 386 S C 1.646 176.470 174.600 0.372 0.000 1.024 386 S CA 0.499 58.874 58.200 0.293 0.000 0.931 386 S CB -0.532 62.860 63.200 0.320 0.000 0.791 386 S HN 0.332 nan 8.310 nan 0.000 0.513 387 N N 1.062 119.921 118.700 0.266 0.000 2.409 387 N HA 0.301 5.040 4.740 -0.000 0.000 0.174 387 N C -0.384 175.267 175.510 0.234 0.000 1.037 387 N CA 0.099 53.321 53.050 0.286 0.000 0.898 387 N CB 0.078 38.718 38.487 0.255 0.000 1.010 387 N HN 0.072 nan 8.380 nan 0.000 0.445 388 L N 1.068 122.403 121.223 0.187 0.000 3.533 388 L HA -0.193 4.147 4.340 -0.000 0.000 0.477 388 L C 0.461 177.431 176.870 0.168 0.000 1.306 388 L CA 0.068 54.991 54.840 0.139 0.000 0.850 388 L CB -2.328 39.806 42.059 0.125 0.000 1.654 388 L HN 0.373 nan 8.230 nan 0.000 0.863 389 T N -4.365 110.326 114.554 0.228 0.000 3.081 389 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 389 T C 1.019 175.911 174.700 0.319 0.000 1.113 389 T CA 0.011 62.352 62.100 0.400 0.000 1.082 389 T CB 0.215 69.425 68.868 0.569 0.000 0.939 389 T HN 0.251 nan 8.240 nan 0.000 0.506 390 R N 1.789 122.220 120.500 -0.114 0.000 2.254 390 R HA 0.347 4.687 4.340 -0.000 0.000 0.318 390 R C -0.534 175.645 176.300 -0.203 0.000 1.031 390 R CA -0.639 55.121 56.100 -0.567 0.000 0.905 390 R CB 0.701 30.516 30.300 -0.809 0.000 1.050 390 R HN 0.572 nan 8.270 nan 0.000 0.456 391 W N 3.244 124.427 121.300 -0.195 0.000 2.215 391 W HA 0.340 5.000 4.660 -0.000 0.000 0.342 391 W C 0.869 177.244 176.519 -0.239 0.000 1.237 391 W CA -0.910 56.315 57.345 -0.201 0.000 1.283 391 W CB 0.386 29.650 29.460 -0.327 0.000 1.131 391 W HN 0.269 nan 8.180 nan 0.000 0.606 392 K N 0.400 120.813 120.400 0.021 0.000 2.057 392 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 392 K C 1.179 177.728 176.600 -0.085 0.000 1.050 392 K CA 1.294 57.546 56.287 -0.059 0.000 0.935 392 K CB -0.299 32.211 32.500 0.016 0.000 0.715 392 K HN 0.684 nan 8.250 nan 0.000 0.439 393 E N 1.206 121.421 120.200 0.026 0.000 2.301 393 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 393 E C -0.845 175.733 176.600 -0.036 0.000 1.171 393 E CA -0.269 56.161 56.400 0.051 0.000 1.142 393 E CB -0.032 29.794 29.700 0.210 0.000 1.218 393 E HN 0.109 nan 8.360 nan 0.000 0.448 394 A N 0.901 123.507 122.820 -0.357 0.000 2.293 394 A HA 0.499 4.819 4.320 -0.000 0.000 0.302 394 A C -0.706 176.715 177.584 -0.271 0.000 1.119 394 A CA -0.608 51.106 52.037 -0.538 0.000 0.823 394 A CB 0.829 19.054 19.000 -1.292 0.000 1.097 394 A HN 0.322 nan 8.150 nan 0.000 0.491 395 L N 1.047 122.183 121.223 -0.144 0.000 2.346 395 L HA 0.536 4.875 4.340 -0.000 0.000 0.276 395 L C -1.073 175.763 176.870 -0.056 0.000 1.006 395 L CA -0.371 54.423 54.840 -0.077 0.000 0.817 395 L CB 1.819 43.870 42.059 -0.013 0.000 1.272 395 L HN 0.624 nan 8.230 nan 0.000 0.421 396 D N 2.947 123.313 120.400 -0.056 0.000 2.302 396 D HA 0.134 4.774 4.640 -0.000 0.000 0.248 396 D C -0.754 175.532 176.300 -0.024 0.000 1.094 396 D CA 0.198 54.195 54.000 -0.004 0.000 0.897 396 D CB 0.975 41.765 40.800 -0.016 0.000 1.200 396 D HN 0.372 nan 8.370 nan 0.000 0.429 397 F N 3.428 123.322 119.950 -0.093 0.000 2.487 397 F HA 0.106 4.633 4.527 -0.000 0.000 0.364 397 F C -0.062 175.652 175.800 -0.144 0.000 1.126 397 F CA 0.442 58.380 58.000 -0.103 0.000 1.135 397 F CB 0.001 38.918 39.000 -0.139 0.000 1.127 397 F HN 0.042 nan 8.300 nan 0.000 0.559 398 Q N 6.157 125.540 119.800 -0.694 0.000 2.565 398 Q HA 0.392 4.732 4.340 -0.000 0.000 0.294 398 Q C -2.781 172.576 176.000 -1.072 0.000 1.005 398 Q CA -2.240 53.169 55.803 -0.657 0.000 0.771 398 Q CB 1.622 30.135 28.738 -0.374 0.000 1.486 398 Q HN 0.276 nan 8.270 nan 0.000 0.422 399 P HA 0.066 nan 4.420 nan 0.000 0.268 399 P C -1.746 175.159 177.300 -0.658 0.000 1.205 399 P CA -0.796 61.697 63.100 -1.011 0.000 0.771 399 P CB 0.321 31.683 31.700 -0.564 0.000 0.858 400 P HA -0.163 nan 4.420 nan 0.000 0.219 400 P C 0.862 178.034 177.300 -0.213 0.000 1.146 400 P CA 1.472 64.386 63.100 -0.310 0.000 0.808 400 P CB -0.270 31.294 31.700 -0.225 0.000 0.779 401 S N 0.782 116.357 115.700 -0.209 0.000 2.419 401 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 401 S C 2.216 176.735 174.600 -0.136 0.000 1.019 401 S CA 1.627 59.739 58.200 -0.146 0.000 0.982 401 S CB -1.209 61.912 63.200 -0.133 0.000 0.789 401 S HN 0.416 nan 8.310 nan 0.000 0.490 402 S N 1.468 117.063 115.700 -0.175 0.000 2.368 402 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 402 S C 1.976 176.516 174.600 -0.100 0.000 1.029 402 S CA 1.104 59.227 58.200 -0.129 0.000 0.988 402 S CB -1.081 62.027 63.200 -0.153 0.000 0.838 402 S HN 1.084 nan 8.310 nan 0.000 0.462 403 G N 0.205 108.936 108.800 -0.115 0.000 2.179 403 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 403 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 403 G C 0.929 175.778 174.900 -0.085 0.000 0.977 403 G CA 0.651 45.698 45.100 -0.089 0.000 0.641 403 G HN 0.816 nan 8.290 nan 0.000 0.533 404 S N -0.385 115.258 115.700 -0.095 0.000 2.503 404 S HA 0.562 5.032 4.470 -0.000 0.000 0.215 404 S C 1.205 175.740 174.600 -0.109 0.000 1.003 404 S CA 1.111 59.259 58.200 -0.086 0.000 0.910 404 S CB 0.993 64.153 63.200 -0.067 0.000 0.790 404 S HN 1.917 nan 8.310 nan 0.000 0.514 405 G N 1.512 110.221 108.800 -0.151 0.000 2.393 405 G HA2 0.464 4.423 3.960 -0.000 0.000 0.264 405 G HA3 0.464 4.423 3.960 -0.000 0.000 0.264 405 G C -2.087 172.665 174.900 -0.247 0.000 1.221 405 G CA -0.378 44.620 45.100 -0.169 0.000 0.912 405 G HN 0.405 nan 8.290 nan 0.000 0.483 406 N N -3.029 115.499 118.700 -0.286 0.000 3.116 406 N HA 0.354 5.094 4.740 -0.000 0.000 0.244 406 N C -0.415 174.842 175.510 -0.421 0.000 1.485 406 N CA -0.851 51.961 53.050 -0.397 0.000 0.884 406 N CB 0.315 38.662 38.487 -0.233 0.000 1.415 406 N HN 0.354 nan 8.380 nan 0.000 0.524 407 Y N -0.501 119.543 120.300 -0.426 0.000 2.680 407 Y HA 0.035 4.585 4.550 -0.000 0.000 0.303 407 Y C 2.141 177.992 175.900 -0.080 0.000 1.166 407 Y CA 0.848 58.646 58.100 -0.503 0.000 1.344 407 Y CB -0.558 37.666 38.460 -0.393 0.000 1.002 407 Y HN 0.723 nan 8.280 nan 0.000 0.537 408 S N -1.275 114.469 115.700 0.074 0.000 2.496 408 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 408 S C 1.411 176.097 174.600 0.144 0.000 0.996 408 S CA 0.088 58.346 58.200 0.096 0.000 0.927 408 S CB -0.517 62.703 63.200 0.032 0.000 0.774 408 S HN 0.274 nan 8.310 nan 0.000 0.524 409 G N 0.935 109.810 108.800 0.126 0.000 2.491 409 G HA2 0.378 4.338 3.960 -0.000 0.000 0.242 409 G HA3 0.378 4.338 3.960 -0.000 0.000 0.242 409 G C 0.224 175.298 174.900 0.291 0.000 1.266 409 G CA -0.854 44.339 45.100 0.154 0.000 0.844 409 G HN 0.503 nan 8.290 nan 0.000 0.571 410 R N 0.269 120.909 120.500 0.234 0.000 2.546 410 R HA 0.160 4.500 4.340 -0.000 0.000 0.320 410 R C -0.888 175.502 176.300 0.150 0.000 1.021 410 R CA -0.268 55.980 56.100 0.247 0.000 1.088 410 R CB 0.584 31.144 30.300 0.434 0.000 1.278 410 R HN 0.542 nan 8.270 nan 0.000 0.557 411 Y N 0.854 121.091 120.300 -0.105 0.000 2.326 411 Y HA 0.449 4.999 4.550 -0.000 0.000 0.329 411 Y C -0.894 174.908 175.900 -0.163 0.000 0.973 411 Y CA -1.268 56.690 58.100 -0.237 0.000 1.162 411 Y CB 0.874 39.073 38.460 -0.435 0.000 1.147 411 Y HN -0.123 nan 8.280 nan 0.000 0.456 412 I N 5.968 126.125 120.570 -0.687 0.000 2.437 412 I HA 0.518 4.688 4.170 -0.000 0.000 0.298 412 I C -0.453 175.263 176.117 -0.669 0.000 0.984 412 I CA -0.866 60.076 61.300 -0.596 0.000 1.214 412 I CB 1.357 38.824 38.000 -0.890 0.000 1.365 412 I HN 0.445 nan 8.210 nan 0.000 0.469 413 R N 5.140 125.414 120.500 -0.377 0.000 2.272 413 R HA 0.267 4.607 4.340 -0.000 0.000 0.323 413 R C -0.557 175.628 176.300 -0.191 0.000 1.002 413 R CA -0.564 55.428 56.100 -0.180 0.000 0.900 413 R CB 0.588 30.863 30.300 -0.042 0.000 1.151 413 R HN 0.634 nan 8.270 nan 0.000 0.507 414 Y N 1.490 121.708 120.300 -0.137 0.000 2.516 414 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 414 Y C 1.742 177.593 175.900 -0.082 0.000 1.131 414 Y CA 1.303 59.335 58.100 -0.115 0.000 1.281 414 Y CB 0.306 38.675 38.460 -0.152 0.000 1.013 414 Y HN 0.972 nan 8.280 nan 0.000 0.554 415 G N 0.472 109.302 108.800 0.050 0.000 2.698 415 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.225 415 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.225 415 G C -0.830 174.066 174.900 -0.005 0.000 1.345 415 G CA -0.578 44.521 45.100 -0.002 0.000 0.871 415 G HN 0.038 nan 8.290 nan 0.000 0.540 416 I N 1.503 122.053 120.570 -0.033 0.000 2.206 416 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 416 I C 1.111 177.217 176.117 -0.019 0.000 1.156 416 I CA 0.401 61.666 61.300 -0.059 0.000 1.356 416 I CB 0.276 38.221 38.000 -0.091 0.000 1.494 416 I HN 0.400 nan 8.210 nan 0.000 0.601 417 R N 3.568 124.075 120.500 0.012 0.000 2.638 417 R HA 0.200 4.540 4.340 -0.000 0.000 0.261 417 R C 0.514 176.856 176.300 0.069 0.000 1.515 417 R CA -0.228 55.903 56.100 0.051 0.000 1.623 417 R CB 0.610 30.943 30.300 0.055 0.000 1.347 417 R HN 0.289 nan 8.270 nan 0.000 0.705 418 E N -0.042 120.226 120.200 0.113 0.000 2.077 418 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 418 E C 1.432 178.207 176.600 0.292 0.000 0.989 418 E CA 1.470 57.987 56.400 0.196 0.000 0.800 418 E CB -0.028 29.824 29.700 0.253 0.000 0.746 418 E HN 0.510 nan 8.360 nan 0.000 0.452 419 H N -0.545 118.630 119.070 0.174 0.000 2.326 419 H HA -0.022 4.534 4.556 -0.000 0.000 0.301 419 H C 2.030 177.411 175.328 0.089 0.000 1.081 419 H CA 0.994 57.132 56.048 0.149 0.000 1.334 419 H CB 0.059 29.879 29.762 0.098 0.000 1.385 419 H HN 0.226 nan 8.280 nan 0.000 0.504 420 A N 1.044 123.970 122.820 0.177 0.000 1.892 420 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 420 A C 2.463 180.042 177.584 -0.008 0.000 1.188 420 A CA 2.017 54.091 52.037 0.061 0.000 0.631 420 A CB -0.974 18.053 19.000 0.044 0.000 0.822 420 A HN 0.652 nan 8.150 nan 0.000 0.447 421 M N -0.171 119.338 119.600 -0.151 0.000 2.106 421 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 421 M C 2.039 178.083 176.300 -0.426 0.000 1.068 421 M CA 2.247 57.178 55.300 -0.616 0.000 1.100 421 M CB -0.599 31.432 32.600 -0.947 0.000 1.351 421 M HN 0.393 nan 8.290 nan 0.000 0.404 422 G N -0.531 108.239 108.800 -0.050 0.000 2.491 422 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 422 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 422 G C 1.434 176.374 174.900 0.067 0.000 1.180 422 G CA 1.124 46.349 45.100 0.210 0.000 0.774 422 G HN 0.672 nan 8.290 nan 0.000 0.562 423 A N -0.211 122.654 122.820 0.075 0.000 2.072 423 A HA 0.346 4.666 4.320 -0.000 0.000 0.216 423 A C 2.339 179.886 177.584 -0.062 0.000 1.156 423 A CA 0.590 52.639 52.037 0.020 0.000 0.701 423 A CB -0.116 18.912 19.000 0.046 0.000 0.816 423 A HN 0.385 nan 8.150 nan 0.000 0.458 424 I N -0.728 119.796 120.570 -0.077 0.000 2.193 424 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 424 I C 2.588 178.612 176.117 -0.155 0.000 1.084 424 I CA 1.220 62.469 61.300 -0.086 0.000 1.365 424 I CB -0.296 37.721 38.000 0.028 0.000 1.064 424 I HN 0.284 nan 8.210 nan 0.000 0.410 425 M N 0.255 119.732 119.600 -0.204 0.000 2.202 425 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 425 M C 1.805 177.970 176.300 -0.225 0.000 1.063 425 M CA 1.547 56.703 55.300 -0.239 0.000 1.097 425 M CB -0.675 31.722 32.600 -0.339 0.000 1.382 425 M HN 0.269 nan 8.290 nan 0.000 0.413 426 N N 0.417 118.991 118.700 -0.209 0.000 2.270 426 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 426 N C 1.765 176.993 175.510 -0.470 0.000 1.016 426 N CA 1.428 54.282 53.050 -0.327 0.000 0.870 426 N CB -0.432 37.947 38.487 -0.180 0.000 0.979 426 N HN 0.424 nan 8.380 nan 0.000 0.431 427 G N 0.418 109.043 108.800 -0.291 0.000 2.408 427 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.215 427 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.215 427 G C 1.653 176.419 174.900 -0.223 0.000 1.156 427 G CA 0.091 45.047 45.100 -0.241 0.000 0.793 427 G HN 0.231 nan 8.290 nan 0.000 0.535 428 I N 0.755 121.167 120.570 -0.264 0.000 2.226 428 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 428 I C 2.984 178.985 176.117 -0.194 0.000 1.100 428 I CA 1.134 62.230 61.300 -0.339 0.000 1.374 428 I CB -0.254 37.507 38.000 -0.398 0.000 1.057 428 I HN 0.208 nan 8.210 nan 0.000 0.413 429 S N 0.681 116.292 115.700 -0.149 0.000 2.351 429 S HA -0.230 4.240 4.470 -0.000 0.000 0.220 429 S C 2.211 176.803 174.600 -0.013 0.000 1.035 429 S CA 1.644 59.815 58.200 -0.049 0.000 1.031 429 S CB -0.349 62.778 63.200 -0.121 0.000 0.928 429 S HN 0.490 nan 8.310 nan 0.000 0.433 430 A N -0.004 122.706 122.820 -0.183 0.000 2.186 430 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 430 A C 1.819 179.467 177.584 0.106 0.000 1.159 430 A CA 1.391 53.392 52.037 -0.059 0.000 0.680 430 A CB -0.932 17.920 19.000 -0.247 0.000 0.787 430 A HN 0.703 nan 8.150 nan 0.000 0.467 431 F N -0.083 119.838 119.950 -0.048 0.000 2.259 431 F HA 0.290 4.817 4.527 -0.000 0.000 0.298 431 F C 1.447 177.275 175.800 0.047 0.000 1.088 431 F CA 1.333 59.314 58.000 -0.032 0.000 1.358 431 F CB -0.050 38.881 39.000 -0.116 0.000 1.040 431 F HN 0.529 nan 8.300 nan 0.000 0.505 432 G N -0.360 108.535 108.800 0.159 0.000 2.501 432 G HA2 0.155 4.115 3.960 -0.000 0.000 0.213 432 G HA3 0.155 4.115 3.960 -0.000 0.000 0.213 432 G C 0.536 175.549 174.900 0.188 0.000 1.158 432 G CA 0.220 45.355 45.100 0.058 0.000 1.079 432 G HN 1.250 nan 8.290 nan 0.000 0.586 433 A N -0.811 122.011 122.820 0.004 0.000 2.715 433 A HA -0.062 4.258 4.320 -0.000 0.000 0.301 433 A C 1.471 178.933 177.584 -0.203 0.000 1.515 433 A CA 2.192 54.179 52.037 -0.083 0.000 0.816 433 A CB -1.852 17.142 19.000 -0.010 0.000 1.004 433 A HN 2.883 nan 8.150 nan 0.000 0.483 434 N N -3.076 115.579 118.700 -0.075 0.000 2.696 434 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 434 N C -0.324 175.143 175.510 -0.071 0.000 1.090 434 N CA 1.578 54.590 53.050 -0.063 0.000 0.716 434 N CB -1.880 36.555 38.487 -0.086 0.000 1.020 434 N HN 0.759 nan 8.380 nan 0.000 0.548 435 Y N 0.416 120.742 120.300 0.042 0.000 2.805 435 Y HA 0.001 4.551 4.550 -0.000 0.000 0.331 435 Y C 1.057 176.956 175.900 -0.001 0.000 1.241 435 Y CA 0.501 58.615 58.100 0.025 0.000 1.546 435 Y CB 0.584 39.060 38.460 0.026 0.000 1.248 435 Y HN -0.078 nan 8.280 nan 0.000 0.559 436 K N 6.380 126.883 120.400 0.170 0.000 2.499 436 K HA 0.282 4.602 4.320 -0.000 0.000 0.215 436 K C -2.864 173.815 176.600 0.132 0.000 1.041 436 K CA -1.885 54.466 56.287 0.107 0.000 1.031 436 K CB 0.738 33.264 32.500 0.042 0.000 1.479 436 K HN 0.368 nan 8.250 nan 0.000 0.518 437 P HA 0.141 nan 4.420 nan 0.000 0.279 437 P C -0.974 176.333 177.300 0.011 0.000 1.239 437 P CA -0.283 62.800 63.100 -0.027 0.000 0.789 437 P CB 0.421 32.045 31.700 -0.127 0.000 0.933 438 Y N -0.704 119.564 120.300 -0.053 0.000 2.457 438 Y HA 0.779 5.329 4.550 -0.000 0.000 0.343 438 Y C -0.719 175.089 175.900 -0.153 0.000 0.994 438 Y CA -1.349 56.702 58.100 -0.082 0.000 1.031 438 Y CB 1.270 39.772 38.460 0.069 0.000 1.246 438 Y HN 0.532 nan 8.280 nan 0.000 0.449 439 G N 0.936 109.580 108.800 -0.260 0.000 2.590 439 G HA2 0.562 4.522 3.960 -0.000 0.000 0.310 439 G HA3 0.562 4.522 3.960 -0.000 0.000 0.310 439 G C -0.962 173.860 174.900 -0.130 0.000 1.347 439 G CA -0.811 44.038 45.100 -0.418 0.000 0.963 439 G HN 1.093 nan 8.290 nan 0.000 0.494 440 G N -0.410 108.395 108.800 0.008 0.000 2.388 440 G HA2 0.670 4.630 3.960 -0.000 0.000 0.330 440 G HA3 0.670 4.630 3.960 -0.000 0.000 0.330 440 G C -0.544 174.431 174.900 0.124 0.000 1.142 440 G CA -0.159 45.037 45.100 0.160 0.000 0.908 440 G HN 0.845 nan 8.290 nan 0.000 0.473 441 T N -0.327 114.358 114.554 0.218 0.000 2.661 441 T HA 0.524 4.874 4.350 -0.000 0.000 0.305 441 T C -1.520 173.360 174.700 0.300 0.000 1.441 441 T CA -0.592 61.606 62.100 0.164 0.000 0.999 441 T CB 0.639 69.651 68.868 0.239 0.000 1.650 441 T HN 0.177 nan 8.240 nan 0.000 0.489 442 F N 2.632 122.680 119.950 0.164 0.000 2.412 442 F HA 0.395 4.921 4.527 -0.000 0.000 0.348 442 F C 1.357 177.172 175.800 0.026 0.000 1.102 442 F CA -1.494 56.561 58.000 0.092 0.000 1.196 442 F CB 0.754 39.768 39.000 0.023 0.000 1.144 442 F HN 0.492 nan 8.300 nan 0.000 0.541 443 L N 3.119 124.452 121.223 0.183 0.000 2.051 443 L HA -0.296 4.044 4.340 -0.000 0.000 0.214 443 L C 1.982 178.825 176.870 -0.045 0.000 1.076 443 L CA 1.888 56.763 54.840 0.059 0.000 0.758 443 L CB -0.955 41.123 42.059 0.032 0.000 0.890 443 L HN 0.662 nan 8.230 nan 0.000 0.433 444 N N -1.121 117.441 118.700 -0.230 0.000 2.272 444 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 444 N C 1.060 176.355 175.510 -0.358 0.000 1.014 444 N CA 1.217 54.020 53.050 -0.411 0.000 0.870 444 N CB -0.157 37.856 38.487 -0.789 0.000 0.975 444 N HN 0.427 nan 8.380 nan 0.000 0.433 445 F N -1.097 118.879 119.950 0.044 0.000 2.641 445 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 445 F C 1.619 177.437 175.800 0.030 0.000 1.098 445 F CA -0.330 57.661 58.000 -0.015 0.000 1.318 445 F CB -0.238 38.640 39.000 -0.203 0.000 1.035 445 F HN -0.172 nan 8.300 nan 0.000 0.551 446 V N -1.074 118.904 119.914 0.107 0.000 2.626 446 V HA -0.202 3.918 4.120 -0.000 0.000 0.252 446 V C 2.118 178.216 176.094 0.006 0.000 1.067 446 V CA 1.876 64.081 62.300 -0.158 0.000 1.081 446 V CB -0.750 30.892 31.823 -0.301 0.000 0.686 446 V HN 0.298 nan 8.190 nan 0.000 0.468 447 S N -1.132 114.680 115.700 0.185 0.000 2.447 447 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 447 S C 1.759 176.481 174.600 0.202 0.000 1.006 447 S CA 1.042 59.366 58.200 0.207 0.000 0.957 447 S CB -0.385 62.922 63.200 0.178 0.000 0.773 447 S HN 0.614 nan 8.310 nan 0.000 0.507 448 Y N 1.108 121.448 120.300 0.067 0.000 2.497 448 Y HA 0.144 4.694 4.550 -0.000 0.000 0.292 448 Y C 2.017 177.865 175.900 -0.085 0.000 1.137 448 Y CA 0.181 58.306 58.100 0.041 0.000 1.285 448 Y CB -0.187 38.327 38.460 0.091 0.000 0.991 448 Y HN 0.291 nan 8.280 nan 0.000 0.556 449 A N -1.585 121.194 122.820 -0.070 0.000 2.508 449 A HA 0.538 4.858 4.320 -0.000 0.000 0.257 449 A C 2.089 179.403 177.584 -0.451 0.000 1.226 449 A CA 0.498 52.338 52.037 -0.328 0.000 0.947 449 A CB -0.573 18.384 19.000 -0.071 0.000 1.079 449 A HN 0.206 nan 8.150 nan 0.000 0.531 450 A N 0.221 122.899 122.820 -0.237 0.000 1.958 450 A HA -0.035 4.285 4.320 -0.000 0.000 0.221 450 A C 2.268 179.813 177.584 -0.064 0.000 1.178 450 A CA 2.161 54.174 52.037 -0.040 0.000 0.642 450 A CB -1.152 17.908 19.000 0.100 0.000 0.816 450 A HN 0.869 nan 8.150 nan 0.000 0.453 451 G N -0.938 107.783 108.800 -0.133 0.000 2.450 451 G HA2 0.006 3.966 3.960 -0.000 0.000 0.220 451 G HA3 0.006 3.966 3.960 -0.000 0.000 0.220 451 G C 1.657 176.693 174.900 0.227 0.000 1.130 451 G CA 1.471 46.668 45.100 0.161 0.000 0.760 451 G HN 0.832 nan 8.290 nan 0.000 0.557 452 A N 0.121 123.067 122.820 0.210 0.000 1.855 452 A HA 0.197 4.517 4.320 -0.000 0.000 0.213 452 A C 2.567 180.232 177.584 0.135 0.000 1.195 452 A CA 1.515 53.689 52.037 0.229 0.000 0.610 452 A CB -0.597 18.598 19.000 0.325 0.000 0.837 452 A HN 0.228 nan 8.150 nan 0.000 0.444 453 V N 0.465 120.406 119.914 0.044 0.000 2.392 453 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 453 V C 2.619 178.717 176.094 0.007 0.000 1.059 453 V CA 2.351 64.627 62.300 -0.040 0.000 1.051 453 V CB -0.925 30.700 31.823 -0.330 0.000 0.658 453 V HN 0.634 nan 8.190 nan 0.000 0.455 454 R N -0.223 120.313 120.500 0.060 0.000 2.105 454 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 454 R C 2.169 178.505 176.300 0.060 0.000 1.135 454 R CA 1.510 57.654 56.100 0.073 0.000 0.967 454 R CB -0.203 30.150 30.300 0.088 0.000 0.861 454 R HN 0.468 nan 8.270 nan 0.000 0.442 455 L N 0.028 121.296 121.223 0.074 0.000 2.395 455 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 455 L C 2.160 179.059 176.870 0.047 0.000 1.130 455 L CA 0.493 55.373 54.840 0.067 0.000 0.826 455 L CB -0.031 42.085 42.059 0.095 0.000 0.941 455 L HN 0.197 nan 8.230 nan 0.000 0.451 456 S N 0.467 116.212 115.700 0.075 0.000 2.356 456 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 456 S C 2.255 176.854 174.600 -0.001 0.000 1.032 456 S CA 1.243 59.487 58.200 0.073 0.000 1.005 456 S CB -0.212 63.048 63.200 0.099 0.000 0.867 456 S HN 0.505 nan 8.310 nan 0.000 0.449 457 A N 1.481 124.301 122.820 -0.001 0.000 1.858 457 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 457 A C 2.176 179.765 177.584 0.008 0.000 1.190 457 A CA 1.319 53.353 52.037 -0.004 0.000 0.617 457 A CB -0.878 18.127 19.000 0.007 0.000 0.827 457 A HN 0.425 nan 8.150 nan 0.000 0.443 458 L N -0.213 121.019 121.223 0.014 0.000 1.976 458 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 458 L C 2.704 179.579 176.870 0.009 0.000 1.071 458 L CA 2.126 56.981 54.840 0.025 0.000 0.746 458 L CB -0.209 41.874 42.059 0.040 0.000 0.890 458 L HN 0.377 nan 8.230 nan 0.000 0.432 459 S N -0.445 115.211 115.700 -0.074 0.000 2.402 459 S HA 0.042 4.512 4.470 -0.000 0.000 0.229 459 S C 1.200 175.716 174.600 -0.140 0.000 1.021 459 S CA 0.818 58.930 58.200 -0.147 0.000 0.974 459 S CB -0.178 62.608 63.200 -0.690 0.000 0.800 459 S HN 0.754 nan 8.310 nan 0.000 0.484 460 G N 1.986 110.688 108.800 -0.163 0.000 2.255 460 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 460 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 460 G C -0.471 174.408 174.900 -0.034 0.000 1.083 460 G CA -0.531 44.564 45.100 -0.008 0.000 0.826 460 G HN 0.515 nan 8.290 nan 0.000 0.493 461 H N 0.359 119.416 119.070 -0.023 0.000 2.723 461 H HA 0.310 4.866 4.556 -0.000 0.000 0.294 461 H C -1.956 173.364 175.328 -0.013 0.000 1.079 461 H CA -1.680 54.328 56.048 -0.067 0.000 1.411 461 H CB 1.760 31.430 29.762 -0.153 0.000 1.439 461 H HN 0.175 nan 8.280 nan 0.000 0.474 462 P HA -0.014 nan 4.420 nan 0.000 0.218 462 P C 0.142 177.472 177.300 0.051 0.000 1.793 462 P CA -0.200 62.939 63.100 0.064 0.000 0.941 462 P CB -0.354 31.369 31.700 0.039 0.000 1.919 463 V N -0.915 119.031 119.914 0.054 0.000 2.834 463 V HA 0.444 4.564 4.120 -0.000 0.000 0.301 463 V C 0.246 176.366 176.094 0.044 0.000 1.066 463 V CA -0.752 61.558 62.300 0.016 0.000 1.052 463 V CB 1.138 32.942 31.823 -0.031 0.000 1.021 463 V HN -0.004 nan 8.190 nan 0.000 0.480 464 I N 2.566 123.145 120.570 0.014 0.000 2.406 464 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 464 I C -1.122 175.017 176.117 0.037 0.000 0.999 464 I CA -0.102 61.238 61.300 0.068 0.000 1.124 464 I CB 1.654 39.706 38.000 0.086 0.000 1.289 464 I HN 0.665 nan 8.210 nan 0.000 0.441 465 W N 5.719 127.007 121.300 -0.020 0.000 2.376 465 W HA 0.488 5.147 4.660 -0.000 0.000 0.312 465 W C -0.526 176.010 176.519 0.029 0.000 1.060 465 W CA -0.666 56.675 57.345 -0.008 0.000 1.221 465 W CB 1.461 30.870 29.460 -0.085 0.000 1.281 465 W HN 0.051 nan 8.180 nan 0.000 0.456 466 V N 4.479 124.566 119.914 0.288 0.000 2.304 466 V HA 0.449 4.569 4.120 -0.000 0.000 0.262 466 V C 0.361 176.620 176.094 0.275 0.000 1.061 466 V CA -0.818 61.630 62.300 0.247 0.000 0.872 466 V CB -0.002 31.992 31.823 0.285 0.000 1.077 466 V HN 0.608 nan 8.190 nan 0.000 0.480 467 A N 4.243 127.206 122.820 0.238 0.000 2.582 467 A HA 0.625 4.945 4.320 -0.000 0.000 0.336 467 A C 0.744 178.466 177.584 0.230 0.000 1.445 467 A CA -0.332 51.848 52.037 0.238 0.000 0.997 467 A CB 0.056 19.149 19.000 0.155 0.000 1.148 467 A HN 0.793 nan 8.150 nan 0.000 0.514 468 T N -0.689 114.063 114.554 0.330 0.000 2.788 468 T HA 0.443 4.792 4.350 -0.000 0.000 0.280 468 T C 0.263 175.161 174.700 0.330 0.000 0.984 468 T CA 0.044 62.341 62.100 0.328 0.000 0.972 468 T CB 0.013 69.170 68.868 0.481 0.000 1.039 468 T HN 0.850 nan 8.240 nan 0.000 0.530 469 H N -0.112 118.965 119.070 0.011 0.000 2.819 469 H HA -0.094 4.462 4.556 -0.000 0.000 0.323 469 H C 0.697 175.944 175.328 -0.134 0.000 1.243 469 H CA 0.776 56.738 56.048 -0.143 0.000 1.163 469 H CB -1.917 27.553 29.762 -0.486 0.000 1.493 469 H HN 0.851 nan 8.280 nan 0.000 0.434 470 D N -0.639 119.751 120.400 -0.017 0.000 2.384 470 D HA -0.058 4.582 4.640 -0.000 0.000 0.222 470 D C 0.915 177.168 176.300 -0.078 0.000 0.976 470 D CA 1.142 55.124 54.000 -0.030 0.000 0.915 470 D CB 0.257 41.053 40.800 -0.006 0.000 0.896 470 D HN 0.571 nan 8.370 nan 0.000 0.523 471 S N -0.947 114.688 115.700 -0.108 0.000 2.694 471 S HA 0.242 4.712 4.470 -0.000 0.000 0.273 471 S C 1.105 175.576 174.600 -0.215 0.000 1.180 471 S CA -0.383 57.708 58.200 -0.182 0.000 0.864 471 S CB -0.207 62.879 63.200 -0.189 0.000 1.198 471 S HN 0.067 nan 8.310 nan 0.000 0.499 472 I N -0.342 120.008 120.570 -0.366 0.000 2.800 472 I HA 0.177 4.347 4.170 -0.000 0.000 0.266 472 I C 1.932 177.873 176.117 -0.293 0.000 1.249 472 I CA 1.391 62.469 61.300 -0.370 0.000 1.458 472 I CB -1.283 36.376 38.000 -0.567 0.000 1.093 472 I HN 0.743 nan 8.210 nan 0.000 0.466 473 G N 1.636 110.327 108.800 -0.182 0.000 2.485 473 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.221 473 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.221 473 G C 1.584 176.525 174.900 0.067 0.000 1.115 473 G CA 1.047 46.245 45.100 0.163 0.000 0.751 473 G HN 0.380 nan 8.290 nan 0.000 0.567 474 V N 0.948 120.857 119.914 -0.008 0.000 2.380 474 V HA 0.048 4.167 4.120 -0.000 0.000 0.251 474 V C 2.471 178.581 176.094 0.027 0.000 1.063 474 V CA 1.960 64.267 62.300 0.011 0.000 1.055 474 V CB -1.209 30.596 31.823 -0.032 0.000 0.657 474 V HN 0.946 nan 8.190 nan 0.000 0.455 475 G N -0.280 108.530 108.800 0.016 0.000 2.543 475 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.286 475 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.286 475 G C 0.593 175.502 174.900 0.015 0.000 1.153 475 G CA 0.511 45.630 45.100 0.032 0.000 0.968 475 G HN 0.373 nan 8.290 nan 0.000 0.544 476 E N 0.786 120.994 120.200 0.014 0.000 2.233 476 E HA -0.058 4.292 4.350 -0.000 0.000 0.199 476 E C 1.859 178.442 176.600 -0.029 0.000 1.004 476 E CA 1.428 57.826 56.400 -0.004 0.000 0.819 476 E CB -0.145 29.555 29.700 -0.000 0.000 0.738 476 E HN 0.457 nan 8.360 nan 0.000 0.478 477 D N -0.497 119.876 120.400 -0.045 0.000 2.264 477 D HA 0.022 4.662 4.640 -0.000 0.000 0.208 477 D C 1.092 177.337 176.300 -0.091 0.000 0.966 477 D CA 1.103 55.031 54.000 -0.119 0.000 0.864 477 D CB -0.226 40.480 40.800 -0.158 0.000 0.933 477 D HN 0.235 nan 8.370 nan 0.000 0.499 478 G N 0.606 109.394 108.800 -0.021 0.000 2.645 478 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 478 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 478 G C -1.692 173.242 174.900 0.057 0.000 1.331 478 G CA 0.063 45.172 45.100 0.015 0.000 0.890 478 G HN 0.071 nan 8.290 nan 0.000 0.572 479 P HA -0.070 nan 4.420 nan 0.000 0.223 479 P C 1.798 179.164 177.300 0.110 0.000 1.151 479 P CA 2.567 65.727 63.100 0.100 0.000 0.787 479 P CB -0.398 31.359 31.700 0.096 0.000 0.788 480 T N -4.444 110.202 114.554 0.153 0.000 3.035 480 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 480 T C 1.007 175.874 174.700 0.278 0.000 1.109 480 T CA 1.157 63.406 62.100 0.249 0.000 1.119 480 T CB -0.918 68.151 68.868 0.336 0.000 0.900 480 T HN 0.201 nan 8.240 nan 0.000 0.503 481 H N 0.218 119.291 119.070 0.005 0.000 2.785 481 H HA 0.474 5.030 4.556 -0.000 0.000 0.268 481 H C -0.150 175.064 175.328 -0.190 0.000 1.153 481 H CA -0.626 55.352 56.048 -0.116 0.000 1.111 481 H CB 0.427 30.181 29.762 -0.012 0.000 1.633 481 H HN 0.424 nan 8.280 nan 0.000 0.576 482 Q N 1.291 121.067 119.800 -0.040 0.000 2.327 482 Q HA 0.343 4.683 4.340 -0.000 0.000 0.270 482 Q C -2.718 173.224 176.000 -0.096 0.000 1.022 482 Q CA -2.123 53.631 55.803 -0.081 0.000 0.773 482 Q CB 2.615 31.321 28.738 -0.053 0.000 1.251 482 Q HN 0.078 nan 8.270 nan 0.000 0.457 483 P HA 0.058 nan 4.420 nan 0.000 0.271 483 P C -0.362 176.853 177.300 -0.141 0.000 1.216 483 P CA 0.048 63.074 63.100 -0.124 0.000 0.776 483 P CB 0.954 32.584 31.700 -0.117 0.000 0.881 484 I N 1.999 122.484 120.570 -0.141 0.000 3.882 484 I HA 0.018 4.188 4.170 -0.000 0.000 0.252 484 I C 1.857 177.873 176.117 -0.169 0.000 1.087 484 I CA 0.594 61.775 61.300 -0.199 0.000 1.764 484 I CB -1.157 36.664 38.000 -0.297 0.000 1.620 484 I HN 0.358 nan 8.210 nan 0.000 0.437 485 E N 1.539 121.637 120.200 -0.171 0.000 2.516 485 E HA -0.081 4.269 4.350 -0.000 0.000 0.199 485 E C 1.317 177.846 176.600 -0.118 0.000 1.069 485 E CA 0.970 57.284 56.400 -0.143 0.000 0.876 485 E CB -0.766 28.840 29.700 -0.156 0.000 0.843 485 E HN 0.437 nan 8.360 nan 0.000 0.530 486 T N 1.787 116.279 114.554 -0.103 0.000 2.708 486 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 486 T C 2.098 176.740 174.700 -0.096 0.000 1.037 486 T CA 1.440 63.486 62.100 -0.090 0.000 1.146 486 T CB -0.217 68.631 68.868 -0.033 0.000 0.865 486 T HN 0.140 nan 8.240 nan 0.000 0.435 487 L N 0.863 122.039 121.223 -0.078 0.000 2.072 487 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 487 L C 3.161 179.928 176.870 -0.172 0.000 1.079 487 L CA 1.017 55.796 54.840 -0.101 0.000 0.752 487 L CB -0.811 41.158 42.059 -0.150 0.000 0.906 487 L HN 0.244 nan 8.230 nan 0.000 0.436 488 A N -0.505 122.215 122.820 -0.166 0.000 1.927 488 A HA -0.330 3.990 4.320 -0.000 0.000 0.220 488 A C 2.229 179.749 177.584 -0.106 0.000 1.185 488 A CA 2.209 54.160 52.037 -0.144 0.000 0.639 488 A CB -1.133 17.811 19.000 -0.094 0.000 0.820 488 A HN 0.618 nan 8.150 nan 0.000 0.451 489 H N -2.104 116.803 119.070 -0.271 0.000 2.256 489 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 489 H C 1.860 176.985 175.328 -0.339 0.000 1.071 489 H CA 1.902 57.725 56.048 -0.374 0.000 1.280 489 H CB -0.256 29.145 29.762 -0.603 0.000 1.370 489 H HN 0.431 nan 8.280 nan 0.000 0.490 490 F N 1.221 120.964 119.950 -0.345 0.000 2.269 490 F HA -0.032 4.495 4.527 -0.000 0.000 0.301 490 F C 2.711 178.389 175.800 -0.204 0.000 1.082 490 F CA 0.855 58.626 58.000 -0.382 0.000 1.360 490 F CB -0.343 38.428 39.000 -0.382 0.000 1.041 490 F HN 0.155 nan 8.300 nan 0.000 0.512 491 R N -0.758 119.715 120.500 -0.045 0.000 2.235 491 R HA -0.028 4.311 4.340 -0.000 0.000 0.213 491 R C 1.760 178.070 176.300 0.017 0.000 1.059 491 R CA 1.154 57.225 56.100 -0.048 0.000 0.997 491 R CB -0.484 29.687 30.300 -0.215 0.000 0.884 491 R HN 0.143 nan 8.270 nan 0.000 0.462 492 S N 0.677 116.379 115.700 0.004 0.000 2.593 492 S HA 0.050 4.520 4.470 -0.000 0.000 0.217 492 S C 0.269 174.900 174.600 0.053 0.000 0.966 492 S CA -0.205 58.013 58.200 0.030 0.000 0.914 492 S CB 0.115 63.327 63.200 0.019 0.000 0.776 492 S HN 0.073 nan 8.310 nan 0.000 0.523 493 L N 3.481 124.740 121.223 0.061 0.000 2.264 493 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 493 L C -2.819 174.104 176.870 0.088 0.000 1.044 493 L CA -2.357 52.528 54.840 0.075 0.000 0.807 493 L CB 0.155 42.265 42.059 0.085 0.000 1.192 493 L HN -0.181 nan 8.230 nan 0.000 0.425 494 P HA 0.095 nan 4.420 nan 0.000 0.264 494 P C -0.647 176.725 177.300 0.120 0.000 1.183 494 P CA 0.402 63.576 63.100 0.123 0.000 0.763 494 P CB 0.239 31.997 31.700 0.098 0.000 0.807 495 N N 1.449 120.267 118.700 0.197 0.000 2.725 495 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 495 N C -1.245 174.156 175.510 -0.182 0.000 1.087 495 N CA 0.587 53.676 53.050 0.064 0.000 0.690 495 N CB -1.409 37.130 38.487 0.087 0.000 0.891 495 N HN 0.473 nan 8.380 nan 0.000 0.553 496 I N 0.589 120.939 120.570 -0.366 0.000 2.710 496 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 496 I C -0.731 175.073 176.117 -0.521 0.000 1.318 496 I CA -0.634 60.440 61.300 -0.376 0.000 1.045 496 I CB 1.392 39.276 38.000 -0.193 0.000 1.307 496 I HN 0.166 nan 8.210 nan 0.000 0.424 497 Q N 5.300 124.810 119.800 -0.483 0.000 2.314 497 Q HA 0.429 4.769 4.340 -0.000 0.000 0.258 497 Q C -1.012 174.901 176.000 -0.146 0.000 0.954 497 Q CA -0.362 55.258 55.803 -0.305 0.000 0.890 497 Q CB 1.951 30.648 28.738 -0.068 0.000 1.210 497 Q HN 0.452 nan 8.270 nan 0.000 0.410 498 V N 3.327 123.143 119.914 -0.162 0.000 2.320 498 V HA 0.196 4.316 4.120 -0.000 0.000 0.268 498 V C -1.201 174.855 176.094 -0.063 0.000 1.021 498 V CA -0.737 61.510 62.300 -0.089 0.000 0.813 498 V CB -0.114 31.637 31.823 -0.119 0.000 1.054 498 V HN 0.697 nan 8.190 nan 0.000 0.444 499 W N 3.308 124.599 121.300 -0.015 0.000 2.322 499 W HA 0.561 5.220 4.660 -0.000 0.000 0.307 499 W C 0.838 177.361 176.519 0.008 0.000 1.220 499 W CA -0.511 56.844 57.345 0.016 0.000 1.210 499 W CB 0.862 30.323 29.460 0.001 0.000 1.223 499 W HN 0.277 nan 8.180 nan 0.000 0.511 500 R N 5.534 126.190 120.500 0.259 0.000 2.587 500 R HA 0.244 4.584 4.340 -0.000 0.000 0.283 500 R C -2.432 173.985 176.300 0.196 0.000 1.472 500 R CA -1.757 54.446 56.100 0.172 0.000 1.578 500 R CB 0.538 30.899 30.300 0.102 0.000 1.130 500 R HN 0.156 nan 8.270 nan 0.000 0.602 501 P HA 0.018 nan 4.420 nan 0.000 0.268 501 P C -0.088 177.283 177.300 0.118 0.000 1.205 501 P CA 0.255 63.462 63.100 0.178 0.000 0.771 501 P CB 1.766 33.543 31.700 0.128 0.000 0.858 502 A N 3.070 125.960 122.820 0.117 0.000 1.956 502 A HA 0.088 4.408 4.320 -0.000 0.000 0.212 502 A C 0.767 178.372 177.584 0.034 0.000 1.188 502 A CA 1.129 53.210 52.037 0.074 0.000 0.675 502 A CB -0.278 18.771 19.000 0.082 0.000 0.845 502 A HN 0.703 nan 8.150 nan 0.000 0.455 503 D N -4.363 116.053 120.400 0.026 0.000 2.752 503 D HA 0.363 5.002 4.640 -0.000 0.000 0.313 503 D C 1.121 177.355 176.300 -0.111 0.000 1.225 503 D CA 0.148 54.119 54.000 -0.048 0.000 0.976 503 D CB 0.388 41.175 40.800 -0.022 0.000 1.443 503 D HN -0.014 nan 8.370 nan 0.000 0.515 504 G N 0.022 108.627 108.800 -0.324 0.000 2.529 504 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 504 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 504 G C 1.071 175.922 174.900 -0.081 0.000 1.177 504 G CA 0.919 45.682 45.100 -0.560 0.000 0.773 504 G HN 0.588 nan 8.290 nan 0.000 0.573 505 N N 0.587 119.324 118.700 0.061 0.000 2.309 505 N HA -0.057 4.683 4.740 -0.000 0.000 0.182 505 N C 2.017 177.567 175.510 0.066 0.000 1.018 505 N CA 0.846 53.972 53.050 0.127 0.000 0.876 505 N CB -0.154 38.408 38.487 0.125 0.000 0.972 505 N HN 0.517 nan 8.380 nan 0.000 0.434 506 E N 0.439 120.679 120.200 0.067 0.000 2.208 506 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 506 E C 1.812 178.434 176.600 0.037 0.000 0.988 506 E CA 0.253 56.706 56.400 0.087 0.000 0.828 506 E CB 0.340 30.131 29.700 0.151 0.000 0.763 506 E HN 0.073 nan 8.360 nan 0.000 0.478 507 V N 0.374 120.310 119.914 0.036 0.000 2.323 507 V HA -0.192 3.927 4.120 -0.000 0.000 0.244 507 V C 2.138 178.289 176.094 0.094 0.000 1.041 507 V CA 1.587 63.925 62.300 0.064 0.000 1.025 507 V CB -0.235 31.644 31.823 0.093 0.000 0.656 507 V HN 0.178 nan 8.190 nan 0.000 0.451 508 S N 0.360 116.114 115.700 0.089 0.000 2.419 508 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 508 S C 2.094 176.687 174.600 -0.010 0.000 1.016 508 S CA 1.357 59.605 58.200 0.081 0.000 0.974 508 S CB -0.345 62.898 63.200 0.073 0.000 0.786 508 S HN 0.646 nan 8.310 nan 0.000 0.492 509 A N 1.192 123.952 122.820 -0.101 0.000 1.970 509 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 509 A C 2.293 179.522 177.584 -0.591 0.000 1.170 509 A CA 1.188 53.098 52.037 -0.212 0.000 0.645 509 A CB -0.835 18.088 19.000 -0.128 0.000 0.816 509 A HN 0.472 nan 8.150 nan 0.000 0.447 510 A N -0.875 121.466 122.820 -0.797 0.000 1.858 510 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 510 A C 2.073 179.154 177.584 -0.840 0.000 1.190 510 A CA 1.617 52.826 52.037 -1.380 0.000 0.617 510 A CB -0.936 17.592 19.000 -0.788 0.000 0.827 510 A HN 0.535 nan 8.150 nan 0.000 0.443 511 Y N 0.011 120.118 120.300 -0.322 0.000 2.165 511 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 511 Y C 2.483 178.388 175.900 0.010 0.000 1.155 511 Y CA 2.087 60.113 58.100 -0.124 0.000 1.164 511 Y CB -0.231 38.213 38.460 -0.027 0.000 0.978 511 Y HN 0.334 nan 8.280 nan 0.000 0.513 512 K N 0.164 120.663 120.400 0.165 0.000 2.020 512 K HA -0.249 4.070 4.320 -0.000 0.000 0.212 512 K C 1.690 178.408 176.600 0.198 0.000 1.050 512 K CA 2.082 58.519 56.287 0.250 0.000 0.929 512 K CB -0.151 32.373 32.500 0.040 0.000 0.714 512 K HN 0.245 nan 8.250 nan 0.000 0.443 513 N N 0.109 118.827 118.700 0.030 0.000 2.171 513 N HA -0.071 4.668 4.740 -0.000 0.000 0.184 513 N C 1.754 177.346 175.510 0.137 0.000 1.021 513 N CA 1.345 54.480 53.050 0.141 0.000 0.854 513 N CB -0.360 38.317 38.487 0.317 0.000 0.994 513 N HN 0.079 nan 8.380 nan 0.000 0.426 514 S N 0.744 116.448 115.700 0.006 0.000 2.372 514 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 514 S C 1.948 176.568 174.600 0.032 0.000 1.044 514 S CA 1.038 59.242 58.200 0.007 0.000 1.050 514 S CB -0.391 62.707 63.200 -0.170 0.000 0.901 514 S HN 0.237 nan 8.310 nan 0.000 0.447 515 L N 0.912 122.159 121.223 0.039 0.000 2.179 515 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 515 L C 2.374 179.240 176.870 -0.006 0.000 1.096 515 L CA 0.976 55.800 54.840 -0.027 0.000 0.779 515 L CB -0.403 41.555 42.059 -0.169 0.000 0.922 515 L HN 0.270 nan 8.230 nan 0.000 0.443 516 E N -0.688 119.583 120.200 0.119 0.000 2.347 516 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 516 E C 0.963 177.608 176.600 0.075 0.000 1.008 516 E CA 0.046 56.526 56.400 0.133 0.000 0.852 516 E CB 0.116 29.946 29.700 0.216 0.000 0.783 516 E HN 0.197 nan 8.360 nan 0.000 0.505 517 S N 0.419 116.161 115.700 0.070 0.000 2.546 517 S HA -0.011 4.458 4.470 -0.000 0.000 0.290 517 S C 0.690 175.265 174.600 -0.042 0.000 1.290 517 S CA -0.001 58.225 58.200 0.044 0.000 1.069 517 S CB 0.539 63.781 63.200 0.069 0.000 0.846 517 S HN -0.005 nan 8.310 nan 0.000 0.495 518 K N 2.498 122.802 120.400 -0.160 0.000 2.354 518 K HA 0.255 4.575 4.320 -0.000 0.000 0.194 518 K C 0.719 177.024 176.600 -0.491 0.000 1.045 518 K CA 0.458 56.512 56.287 -0.389 0.000 1.026 518 K CB 0.295 32.381 32.500 -0.690 0.000 0.866 518 K HN 0.652 nan 8.250 nan 0.000 0.530 519 H N -1.438 117.691 119.070 0.098 0.000 3.398 519 H HA 0.285 4.841 4.556 -0.000 0.000 0.260 519 H C -0.474 174.886 175.328 0.054 0.000 1.189 519 H CA -0.019 56.086 56.048 0.094 0.000 1.145 519 H CB 1.113 30.938 29.762 0.104 0.000 1.599 519 H HN -0.151 nan 8.280 nan 0.000 0.615 520 T N 4.949 119.558 114.554 0.091 0.000 2.840 520 T HA 0.271 4.620 4.350 -0.000 0.000 0.287 520 T C -2.511 172.166 174.700 -0.039 0.000 0.991 520 T CA -1.265 60.826 62.100 -0.015 0.000 0.964 520 T CB 3.068 71.867 68.868 -0.115 0.000 0.954 520 T HN -0.005 nan 8.240 nan 0.000 0.438 521 P HA 0.251 nan 4.420 nan 0.000 0.273 521 P C -0.431 176.844 177.300 -0.043 0.000 1.258 521 P CA -0.317 62.775 63.100 -0.014 0.000 0.802 521 P CB 0.669 32.370 31.700 0.003 0.000 1.040 522 S N -0.859 114.851 115.700 0.017 0.000 2.533 522 S HA 0.582 5.052 4.470 -0.000 0.000 0.271 522 S C -1.159 173.479 174.600 0.062 0.000 1.143 522 S CA -0.696 57.531 58.200 0.044 0.000 0.891 522 S CB 0.386 63.648 63.200 0.102 0.000 1.105 522 S HN 0.247 nan 8.310 nan 0.000 0.468 523 I N 4.383 124.966 120.570 0.022 0.000 2.406 523 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 523 I C -0.791 175.372 176.117 0.077 0.000 0.999 523 I CA -0.663 60.642 61.300 0.008 0.000 1.124 523 I CB 1.703 39.587 38.000 -0.193 0.000 1.289 523 I HN 0.546 nan 8.210 nan 0.000 0.441 524 I N 6.069 126.684 120.570 0.074 0.000 2.328 524 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 524 I C 0.281 176.452 176.117 0.090 0.000 1.012 524 I CA -0.468 60.873 61.300 0.067 0.000 1.195 524 I CB 1.531 39.479 38.000 -0.088 0.000 1.350 524 I HN 0.559 nan 8.210 nan 0.000 0.464 525 A N 8.455 131.331 122.820 0.094 0.000 2.269 525 A HA 0.758 5.078 4.320 -0.000 0.000 0.302 525 A C -0.532 177.100 177.584 0.080 0.000 1.266 525 A CA -0.294 51.791 52.037 0.080 0.000 0.894 525 A CB 0.302 19.333 19.000 0.053 0.000 1.147 525 A HN 0.715 nan 8.150 nan 0.000 0.537 526 L N 2.523 123.796 121.223 0.082 0.000 2.346 526 L HA 0.477 4.817 4.340 -0.000 0.000 0.274 526 L C 0.754 177.630 176.870 0.011 0.000 1.007 526 L CA -0.704 54.174 54.840 0.064 0.000 0.818 526 L CB 2.267 44.384 42.059 0.098 0.000 1.284 526 L HN 0.809 nan 8.230 nan 0.000 0.424 527 S N 1.531 117.224 115.700 -0.012 0.000 2.576 527 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 527 S C 0.807 175.320 174.600 -0.144 0.000 1.339 527 S CA -0.490 57.677 58.200 -0.055 0.000 1.039 527 S CB 1.650 64.835 63.200 -0.025 0.000 0.902 527 S HN 0.778 nan 8.310 nan 0.000 0.516 528 R N 1.328 121.682 120.500 -0.243 0.000 2.062 528 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 528 R C 1.061 177.281 176.300 -0.133 0.000 1.125 528 R CA 0.764 56.645 56.100 -0.364 0.000 0.966 528 R CB -0.205 29.843 30.300 -0.421 0.000 0.861 528 R HN 0.919 nan 8.270 nan 0.000 0.433 529 Q N 1.425 121.186 119.800 -0.065 0.000 2.382 529 Q HA 0.058 4.398 4.340 -0.000 0.000 0.229 529 Q C -1.038 174.944 176.000 -0.030 0.000 1.006 529 Q CA -0.154 55.634 55.803 -0.024 0.000 0.916 529 Q CB 0.351 29.092 28.738 0.006 0.000 1.235 529 Q HN 0.059 nan 8.270 nan 0.000 0.512 530 N N 1.499 120.183 118.700 -0.027 0.000 2.458 530 N HA 0.324 5.064 4.740 -0.000 0.000 0.270 530 N C -0.607 174.877 175.510 -0.043 0.000 1.102 530 N CA -0.053 52.979 53.050 -0.030 0.000 0.967 530 N CB 0.632 39.108 38.487 -0.020 0.000 1.078 530 N HN 0.451 nan 8.380 nan 0.000 0.471 531 L N 3.680 124.877 121.223 -0.042 0.000 2.342 531 L HA 0.571 4.911 4.340 -0.000 0.000 0.271 531 L C -1.992 174.854 176.870 -0.039 0.000 1.008 531 L CA -1.893 52.920 54.840 -0.045 0.000 0.818 531 L CB 2.259 44.295 42.059 -0.038 0.000 1.296 531 L HN 0.264 nan 8.230 nan 0.000 0.427 532 P HA 0.088 nan 4.420 nan 0.000 0.277 532 P C -1.381 175.906 177.300 -0.023 0.000 1.271 532 P CA -0.592 62.495 63.100 -0.021 0.000 0.795 532 P CB 0.679 32.372 31.700 -0.012 0.000 1.101 533 Q N 0.597 120.391 119.800 -0.010 0.000 2.314 533 Q HA 0.347 4.687 4.340 -0.000 0.000 0.257 533 Q C 0.011 176.027 176.000 0.027 0.000 0.975 533 Q CA -0.293 55.510 55.803 0.001 0.000 0.933 533 Q CB 0.166 28.923 28.738 0.031 0.000 1.195 533 Q HN 0.408 nan 8.270 nan 0.000 0.426 534 L N 1.543 122.788 121.223 0.036 0.000 2.439 534 L HA 0.132 4.472 4.340 -0.000 0.000 0.269 534 L C 0.965 177.872 176.870 0.063 0.000 1.179 534 L CA -0.193 54.675 54.840 0.047 0.000 0.828 534 L CB 0.412 42.507 42.059 0.061 0.000 1.106 534 L HN 0.342 nan 8.230 nan 0.000 0.467 535 E N 1.607 121.839 120.200 0.054 0.000 2.044 535 E HA 0.337 4.687 4.350 -0.000 0.000 0.282 535 E C 0.582 177.226 176.600 0.074 0.000 1.031 535 E CA 0.466 56.901 56.400 0.059 0.000 0.824 535 E CB 0.983 30.709 29.700 0.043 0.000 1.076 535 E HN 0.773 nan 8.360 nan 0.000 0.395 536 G N 2.893 111.755 108.800 0.102 0.000 2.551 536 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.186 536 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.186 536 G C 0.054 175.095 174.900 0.236 0.000 1.002 536 G CA 0.060 45.244 45.100 0.141 0.000 0.723 536 G HN 0.540 nan 8.290 nan 0.000 0.481 537 S N 1.234 117.074 115.700 0.234 0.000 2.481 537 S HA 0.681 5.151 4.470 -0.000 0.000 0.276 537 S C 0.412 175.078 174.600 0.111 0.000 1.247 537 S CA 0.570 58.938 58.200 0.280 0.000 1.053 537 S CB 1.626 64.984 63.200 0.263 0.000 0.925 537 S HN 1.582 nan 8.310 nan 0.000 0.491 538 S N 2.982 118.675 115.700 -0.011 0.000 2.759 538 S HA 0.570 5.040 4.470 -0.000 0.000 0.310 538 S C 0.913 175.465 174.600 -0.080 0.000 1.123 538 S CA -1.151 57.034 58.200 -0.024 0.000 0.959 538 S CB 0.328 63.513 63.200 -0.025 0.000 1.172 538 S HN 0.584 nan 8.310 nan 0.000 0.539 539 I N 0.980 121.520 120.570 -0.050 0.000 2.286 539 I HA -0.125 4.044 4.170 -0.000 0.000 0.245 539 I C 2.290 178.356 176.117 -0.085 0.000 1.104 539 I CA 1.317 62.582 61.300 -0.059 0.000 1.397 539 I CB -0.497 37.472 38.000 -0.052 0.000 1.072 539 I HN 0.690 nan 8.210 nan 0.000 0.417 540 E N 0.962 121.110 120.200 -0.085 0.000 2.051 540 E HA -0.175 4.174 4.350 -0.000 0.000 0.192 540 E C 2.251 178.782 176.600 -0.115 0.000 0.991 540 E CA 1.803 58.155 56.400 -0.079 0.000 0.799 540 E CB -0.349 29.315 29.700 -0.061 0.000 0.748 540 E HN 0.484 nan 8.360 nan 0.000 0.449 541 S N 0.666 116.243 115.700 -0.205 0.000 2.395 541 S HA 0.086 4.556 4.470 -0.000 0.000 0.225 541 S C 2.229 176.523 174.600 -0.509 0.000 1.027 541 S CA 0.522 58.536 58.200 -0.311 0.000 0.965 541 S CB -0.288 62.711 63.200 -0.336 0.000 0.812 541 S HN 0.299 nan 8.310 nan 0.000 0.482 542 A N 1.999 124.473 122.820 -0.577 0.000 1.972 542 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 542 A C 2.339 180.026 177.584 0.172 0.000 1.169 542 A CA 1.655 53.548 52.037 -0.241 0.000 0.635 542 A CB -1.122 17.842 19.000 -0.059 0.000 0.810 542 A HN 0.490 nan 8.150 nan 0.000 0.446 543 S N -0.257 115.505 115.700 0.103 0.000 2.419 543 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 543 S C 1.606 176.361 174.600 0.258 0.000 1.019 543 S CA 1.501 59.837 58.200 0.227 0.000 0.982 543 S CB -0.197 63.053 63.200 0.084 0.000 0.789 543 S HN 0.650 nan 8.310 nan 0.000 0.490 544 K N 0.250 120.746 120.400 0.160 0.000 2.525 544 K HA 0.154 4.474 4.320 -0.000 0.000 0.192 544 K C 1.526 178.313 176.600 0.311 0.000 1.029 544 K CA 0.451 56.827 56.287 0.148 0.000 1.029 544 K CB -0.016 32.482 32.500 -0.003 0.000 0.814 544 K HN 0.426 nan 8.250 nan 0.000 0.503 545 G N 0.542 109.541 108.800 0.332 0.000 2.383 545 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.229 545 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.229 545 G C 0.316 175.386 174.900 0.283 0.000 1.089 545 G CA -0.210 45.022 45.100 0.219 0.000 0.640 545 G HN 0.572 nan 8.290 nan 0.000 0.510 546 G N -0.780 108.303 108.800 0.472 0.000 2.759 546 G HA2 0.868 4.828 3.960 -0.000 0.000 0.297 546 G HA3 0.868 4.828 3.960 -0.000 0.000 0.297 546 G C -1.007 174.183 174.900 0.483 0.000 1.434 546 G CA 0.253 45.467 45.100 0.190 0.000 0.980 546 G HN 1.720 nan 8.290 nan 0.000 0.531 547 Y N -1.215 119.135 120.300 0.083 0.000 2.689 547 Y HA 0.716 5.266 4.550 -0.000 0.000 0.333 547 Y C -1.234 174.692 175.900 0.043 0.000 1.208 547 Y CA -1.798 56.393 58.100 0.151 0.000 1.055 547 Y CB 0.923 39.517 38.460 0.224 0.000 1.304 547 Y HN 0.479 nan 8.280 nan 0.000 0.455 548 V N 3.383 123.307 119.914 0.017 0.000 2.389 548 V HA 0.119 4.239 4.120 -0.000 0.000 0.264 548 V C 0.700 176.732 176.094 -0.103 0.000 1.049 548 V CA -0.034 62.221 62.300 -0.076 0.000 0.932 548 V CB 0.553 32.384 31.823 0.014 0.000 1.011 548 V HN 0.893 nan 8.190 nan 0.000 0.475 549 L N 4.619 125.686 121.223 -0.260 0.000 2.162 549 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 549 L C 0.946 177.799 176.870 -0.028 0.000 1.086 549 L CA 1.667 56.408 54.840 -0.164 0.000 0.778 549 L CB 0.221 42.127 42.059 -0.254 0.000 0.928 549 L HN 0.666 nan 8.230 nan 0.000 0.446 550 Q N -0.700 119.077 119.800 -0.038 0.000 2.331 550 Q HA 0.337 4.676 4.340 -0.000 0.000 0.272 550 Q C -1.612 174.382 176.000 -0.009 0.000 1.062 550 Q CA -0.646 55.152 55.803 -0.007 0.000 0.806 550 Q CB 2.436 31.168 28.738 -0.009 0.000 1.312 550 Q HN -0.019 nan 8.270 nan 0.000 0.431 551 D N 0.870 121.274 120.400 0.006 0.000 2.490 551 D HA 0.662 5.302 4.640 -0.000 0.000 0.232 551 D C -1.423 174.882 176.300 0.007 0.000 1.053 551 D CA -0.589 53.414 54.000 0.006 0.000 0.914 551 D CB 2.200 43.011 40.800 0.018 0.000 1.431 551 D HN 0.314 nan 8.370 nan 0.000 0.483 552 V N -0.977 118.940 119.914 0.005 0.000 3.040 552 V HA 0.966 5.085 4.120 -0.000 0.000 0.312 552 V C -0.455 175.643 176.094 0.007 0.000 1.115 552 V CA -1.125 61.178 62.300 0.006 0.000 0.998 552 V CB 1.225 33.050 31.823 0.003 0.000 1.042 552 V HN 0.710 nan 8.190 nan 0.000 0.433 553 A N 1.580 124.404 122.820 0.007 0.000 2.363 553 A HA 0.617 4.937 4.320 -0.000 0.000 0.270 553 A C 0.528 178.114 177.584 0.004 0.000 1.121 553 A CA 0.194 52.235 52.037 0.007 0.000 0.800 553 A CB -0.921 18.083 19.000 0.008 0.000 1.052 553 A HN 1.597 nan 8.150 nan 0.000 0.493 554 N N 0.451 119.153 118.700 0.004 0.000 2.641 554 N HA -0.124 4.616 4.740 -0.000 0.000 0.267 554 N C -2.667 172.843 175.510 0.001 0.000 1.087 554 N CA 0.511 53.562 53.050 0.002 0.000 0.731 554 N CB -1.166 37.321 38.487 0.002 0.000 0.886 554 N HN 0.619 nan 8.380 nan 0.000 0.547 555 P HA -0.031 nan 4.420 nan 0.000 0.266 555 P C -0.042 177.258 177.300 0.001 0.000 1.195 555 P CA 0.192 63.292 63.100 -0.000 0.000 0.768 555 P CB 0.820 32.519 31.700 -0.001 0.000 0.838 556 D N 1.723 122.125 120.400 0.002 0.000 2.234 556 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 556 D C 0.895 177.201 176.300 0.010 0.000 0.962 556 D CA 1.224 55.227 54.000 0.006 0.000 0.855 556 D CB 0.533 41.337 40.800 0.007 0.000 0.951 556 D HN 0.370 nan 8.370 nan 0.000 0.500 557 I N -0.117 120.458 120.570 0.009 0.000 3.006 557 I HA 0.283 4.453 4.170 -0.000 0.000 0.306 557 I C -1.661 174.461 176.117 0.009 0.000 1.250 557 I CA -0.811 60.498 61.300 0.016 0.000 0.996 557 I CB 2.714 40.726 38.000 0.020 0.000 1.261 557 I HN -0.339 nan 8.210 nan 0.000 0.442 558 I N 6.614 127.193 120.570 0.015 0.000 2.418 558 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 558 I C -1.007 175.107 176.117 -0.006 0.000 1.008 558 I CA -0.545 60.754 61.300 -0.002 0.000 1.104 558 I CB 1.670 39.670 38.000 -0.000 0.000 1.264 558 I HN 0.277 nan 8.210 nan 0.000 0.438 559 L N 7.032 128.240 121.223 -0.026 0.000 2.272 559 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 559 L C -0.595 176.236 176.870 -0.064 0.000 1.032 559 L CA -0.826 53.992 54.840 -0.036 0.000 0.810 559 L CB 1.577 43.620 42.059 -0.027 0.000 1.205 559 L HN 0.279 nan 8.230 nan 0.000 0.422 560 V N 2.790 122.651 119.914 -0.089 0.000 2.459 560 V HA 0.847 4.967 4.120 -0.000 0.000 0.295 560 V C 0.112 176.129 176.094 -0.128 0.000 1.029 560 V CA -0.359 61.879 62.300 -0.104 0.000 0.874 560 V CB 1.496 33.275 31.823 -0.073 0.000 0.985 560 V HN 0.904 nan 8.190 nan 0.000 0.438 561 A N 3.412 126.198 122.820 -0.057 0.000 2.566 561 A HA 0.998 5.318 4.320 -0.000 0.000 0.292 561 A C -0.311 177.327 177.584 0.090 0.000 1.112 561 A CA -0.251 51.773 52.037 -0.021 0.000 0.707 561 A CB 2.335 21.324 19.000 -0.019 0.000 1.302 561 A HN 0.939 nan 8.150 nan 0.000 0.409 562 T N -1.958 112.681 114.554 0.142 0.000 2.906 562 T HA 0.726 5.075 4.350 -0.000 0.000 0.295 562 T C 0.951 175.717 174.700 0.111 0.000 1.075 562 T CA 0.569 62.770 62.100 0.169 0.000 1.005 562 T CB 1.048 70.077 68.868 0.269 0.000 1.136 562 T HN 2.637 nan 8.240 nan 0.000 0.498 563 G N 2.227 111.093 108.800 0.109 0.000 2.684 563 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.332 563 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.332 563 G C 1.334 176.265 174.900 0.053 0.000 1.306 563 G CA 1.815 46.964 45.100 0.082 0.000 1.002 563 G HN 2.021 nan 8.290 nan 0.000 0.545 564 S N 0.187 115.912 115.700 0.042 0.000 2.500 564 S HA -0.001 4.469 4.470 -0.000 0.000 0.239 564 S C 1.699 176.306 174.600 0.011 0.000 0.989 564 S CA 2.133 60.343 58.200 0.018 0.000 0.951 564 S CB 0.002 63.222 63.200 0.033 0.000 0.759 564 S HN 0.622 nan 8.310 nan 0.000 0.523 565 E N 0.871 121.092 120.200 0.035 0.000 2.400 565 E HA 0.160 4.510 4.350 -0.000 0.000 0.195 565 E C 1.863 178.483 176.600 0.034 0.000 1.012 565 E CA 0.126 56.554 56.400 0.047 0.000 0.875 565 E CB -0.284 29.447 29.700 0.052 0.000 0.859 565 E HN 0.383 nan 8.360 nan 0.000 0.498 566 V N 1.010 120.937 119.914 0.022 0.000 2.295 566 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 566 V C 2.248 178.343 176.094 0.002 0.000 1.049 566 V CA 2.116 64.419 62.300 0.005 0.000 1.024 566 V CB -0.951 30.875 31.823 0.005 0.000 0.648 566 V HN 0.373 nan 8.190 nan 0.000 0.447 567 S N 0.496 116.196 115.700 0.000 0.000 2.382 567 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 567 S C 1.956 176.554 174.600 -0.004 0.000 1.027 567 S CA 1.517 59.713 58.200 -0.006 0.000 0.991 567 S CB -0.713 62.476 63.200 -0.018 0.000 0.823 567 S HN 0.366 nan 8.310 nan 0.000 0.469 568 L N 2.318 123.543 121.223 0.003 0.000 2.013 568 L HA -0.086 4.253 4.340 -0.000 0.000 0.212 568 L C 2.473 179.363 176.870 0.033 0.000 1.073 568 L CA 1.931 56.786 54.840 0.025 0.000 0.753 568 L CB -1.142 40.957 42.059 0.067 0.000 0.890 568 L HN 0.312 nan 8.230 nan 0.000 0.432 569 S N -1.443 114.275 115.700 0.030 0.000 2.382 569 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 569 S C 1.976 176.577 174.600 0.001 0.000 1.027 569 S CA 1.266 59.476 58.200 0.016 0.000 0.991 569 S CB -0.390 62.812 63.200 0.002 0.000 0.823 569 S HN 0.336 nan 8.310 nan 0.000 0.469 570 V N 2.153 122.065 119.914 -0.003 0.000 2.295 570 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 570 V C 2.579 178.672 176.094 -0.001 0.000 1.049 570 V CA 1.565 63.862 62.300 -0.005 0.000 1.024 570 V CB -0.566 31.254 31.823 -0.004 0.000 0.648 570 V HN 0.367 nan 8.190 nan 0.000 0.447 571 E N 0.295 120.495 120.200 0.001 0.000 2.110 571 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 571 E C 2.330 178.932 176.600 0.002 0.000 0.988 571 E CA 1.534 57.935 56.400 0.002 0.000 0.804 571 E CB -0.510 29.191 29.700 0.001 0.000 0.745 571 E HN 0.578 nan 8.360 nan 0.000 0.458 572 A N 1.082 123.905 122.820 0.005 0.000 1.969 572 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 572 A C 2.345 179.925 177.584 -0.007 0.000 1.169 572 A CA 1.701 53.738 52.037 -0.000 0.000 0.635 572 A CB -0.339 18.664 19.000 0.006 0.000 0.810 572 A HN 0.248 nan 8.150 nan 0.000 0.445 573 A N -0.460 122.356 122.820 -0.005 0.000 1.968 573 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 573 A C 2.044 179.625 177.584 -0.006 0.000 1.169 573 A CA 1.878 53.911 52.037 -0.007 0.000 0.638 573 A CB -0.267 18.728 19.000 -0.008 0.000 0.812 573 A HN 0.402 nan 8.150 nan 0.000 0.446 574 K N -0.422 119.976 120.400 -0.004 0.000 2.025 574 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 574 K C 2.067 178.665 176.600 -0.004 0.000 1.049 574 K CA 1.954 58.240 56.287 -0.002 0.000 0.933 574 K CB -0.670 31.830 32.500 -0.001 0.000 0.714 574 K HN 0.439 nan 8.250 nan 0.000 0.438 575 T N 1.314 115.865 114.554 -0.006 0.000 2.720 575 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 575 T C 1.662 176.356 174.700 -0.011 0.000 1.037 575 T CA 1.100 63.194 62.100 -0.009 0.000 1.144 575 T CB -0.188 68.673 68.868 -0.011 0.000 0.864 575 T HN 0.081 nan 8.240 nan 0.000 0.444 576 L N 0.431 121.647 121.223 -0.012 0.000 2.141 576 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 576 L C 2.978 179.843 176.870 -0.009 0.000 1.094 576 L CA 0.900 55.732 54.840 -0.013 0.000 0.763 576 L CB -0.606 41.445 42.059 -0.014 0.000 0.908 576 L HN 0.272 nan 8.230 nan 0.000 0.437 577 A N 0.097 122.913 122.820 -0.006 0.000 1.902 577 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 577 A C 2.514 180.096 177.584 -0.004 0.000 1.181 577 A CA 1.549 53.583 52.037 -0.004 0.000 0.623 577 A CB -0.597 18.401 19.000 -0.002 0.000 0.818 577 A HN 0.395 nan 8.150 nan 0.000 0.443 578 A N -0.386 122.431 122.820 -0.005 0.000 2.024 578 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 578 A C 1.828 179.408 177.584 -0.006 0.000 1.164 578 A CA 1.732 53.767 52.037 -0.005 0.000 0.643 578 A CB -0.314 18.683 19.000 -0.005 0.000 0.806 578 A HN 0.517 nan 8.150 nan 0.000 0.451 579 K N -0.708 119.688 120.400 -0.007 0.000 2.493 579 K HA 0.190 4.510 4.320 -0.000 0.000 0.207 579 K C -0.348 176.248 176.600 -0.007 0.000 1.033 579 K CA -0.061 56.221 56.287 -0.008 0.000 1.161 579 K CB -0.199 32.294 32.500 -0.012 0.000 0.873 579 K HN 0.581 nan 8.250 nan 0.000 0.491 580 N N 1.128 119.825 118.700 -0.005 0.000 2.721 580 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 580 N C -1.110 174.398 175.510 -0.003 0.000 1.072 580 N CA 0.101 53.149 53.050 -0.004 0.000 0.710 580 N CB -0.705 37.780 38.487 -0.003 0.000 0.993 580 N HN 0.152 nan 8.380 nan 0.000 0.547 581 I N 1.115 121.682 120.570 -0.005 0.000 2.404 581 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 581 I C 0.206 176.321 176.117 -0.003 0.000 0.992 581 I CA -0.271 61.027 61.300 -0.004 0.000 1.149 581 I CB 1.499 39.496 38.000 -0.005 0.000 1.315 581 I HN -0.094 nan 8.210 nan 0.000 0.446 582 K N 6.047 126.446 120.400 -0.001 0.000 2.263 582 K HA 0.671 4.991 4.320 -0.000 0.000 0.282 582 K C -0.596 176.003 176.600 -0.002 0.000 1.089 582 K CA -0.378 55.909 56.287 -0.001 0.000 0.907 582 K CB 1.095 33.595 32.500 0.000 0.000 1.148 582 K HN 0.644 nan 8.250 nan 0.000 0.470 583 A N 3.836 126.653 122.820 -0.004 0.000 2.304 583 A HA 0.370 4.690 4.320 -0.000 0.000 0.323 583 A C -0.323 177.254 177.584 -0.010 0.000 1.195 583 A CA -0.797 51.236 52.037 -0.007 0.000 0.826 583 A CB 0.818 19.812 19.000 -0.009 0.000 1.184 583 A HN 0.763 nan 8.150 nan 0.000 0.496 584 R N 2.208 122.700 120.500 -0.013 0.000 2.404 584 R HA 0.561 4.901 4.340 -0.000 0.000 0.291 584 R C -1.527 174.752 176.300 -0.035 0.000 1.025 584 R CA -0.264 55.824 56.100 -0.021 0.000 0.991 584 R CB 1.015 31.304 30.300 -0.019 0.000 1.053 584 R HN 0.443 nan 8.270 nan 0.000 0.479 585 V N 5.306 125.191 119.914 -0.049 0.000 2.334 585 V HA 0.261 4.381 4.120 -0.000 0.000 0.281 585 V C -0.277 175.744 176.094 -0.122 0.000 1.016 585 V CA -0.736 61.521 62.300 -0.071 0.000 0.832 585 V CB 1.551 33.337 31.823 -0.061 0.000 0.999 585 V HN 0.503 nan 8.190 nan 0.000 0.439 586 V N 4.057 123.887 119.914 -0.140 0.000 2.394 586 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 586 V C 0.424 176.376 176.094 -0.236 0.000 1.031 586 V CA -0.107 62.067 62.300 -0.209 0.000 0.881 586 V CB 1.885 33.596 31.823 -0.187 0.000 0.982 586 V HN 0.843 nan 8.190 nan 0.000 0.451 587 S N 4.948 120.423 115.700 -0.375 0.000 2.429 587 S HA 0.539 5.009 4.470 -0.000 0.000 0.302 587 S C -0.606 173.877 174.600 -0.195 0.000 1.115 587 S CA -0.489 57.541 58.200 -0.285 0.000 1.095 587 S CB 0.619 63.571 63.200 -0.413 0.000 0.987 587 S HN 0.567 nan 8.310 nan 0.000 0.474 588 L N 9.367 130.541 121.223 -0.083 0.000 2.504 588 L HA 0.503 4.843 4.340 -0.000 0.000 0.249 588 L C -1.698 175.203 176.870 0.053 0.000 1.120 588 L CA -1.886 52.878 54.840 -0.127 0.000 0.997 588 L CB 1.174 43.072 42.059 -0.269 0.000 1.349 588 L HN 0.470 nan 8.230 nan 0.000 0.439 589 P HA -0.019 nan 4.420 nan 0.000 0.222 589 P C -0.294 177.056 177.300 0.083 0.000 1.153 589 P CA 0.688 63.931 63.100 0.238 0.000 0.798 589 P CB 0.434 32.410 31.700 0.460 0.000 0.796 590 D N -1.794 118.513 120.400 -0.156 0.000 2.616 590 D HA 0.175 4.815 4.640 -0.000 0.000 0.238 590 D C 0.462 176.741 176.300 -0.036 0.000 1.354 590 D CA -0.710 53.074 54.000 -0.360 0.000 0.970 590 D CB 0.478 40.467 40.800 -1.352 0.000 1.369 590 D HN -0.362 nan 8.370 nan 0.000 0.585 591 F N 2.272 122.124 119.950 -0.162 0.000 2.154 591 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 591 F C 1.864 177.717 175.800 0.089 0.000 1.087 591 F CA 0.832 58.823 58.000 -0.014 0.000 1.274 591 F CB -0.665 38.324 39.000 -0.018 0.000 1.009 591 F HN 0.501 nan 8.300 nan 0.000 0.485 592 F N 0.627 120.621 119.950 0.074 0.000 2.060 592 F HA -0.199 4.328 4.527 -0.000 0.000 0.295 592 F C 2.503 178.304 175.800 0.002 0.000 1.120 592 F CA 2.183 60.195 58.000 0.020 0.000 1.205 592 F CB -0.891 38.082 39.000 -0.045 0.000 0.986 592 F HN -0.177 nan 8.300 nan 0.000 0.470 593 T N 0.947 115.571 114.554 0.118 0.000 2.720 593 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 593 T C 1.665 176.399 174.700 0.056 0.000 1.037 593 T CA 1.622 63.764 62.100 0.070 0.000 1.144 593 T CB -0.784 68.085 68.868 0.002 0.000 0.864 593 T HN 0.311 nan 8.240 nan 0.000 0.444 594 F N 2.705 122.622 119.950 -0.056 0.000 2.043 594 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 594 F C 1.951 177.744 175.800 -0.012 0.000 1.121 594 F CA 1.577 59.574 58.000 -0.005 0.000 1.199 594 F CB -0.654 38.299 39.000 -0.078 0.000 0.968 594 F HN 0.060 nan 8.300 nan 0.000 0.478 595 D N 0.250 120.615 120.400 -0.059 0.000 2.239 595 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 595 D C 1.966 178.110 176.300 -0.261 0.000 0.993 595 D CA 1.278 55.165 54.000 -0.187 0.000 0.874 595 D CB -0.339 40.380 40.800 -0.135 0.000 0.922 595 D HN 0.397 nan 8.370 nan 0.000 0.464 596 K N 0.098 120.340 120.400 -0.262 0.000 2.487 596 K HA 0.011 4.331 4.320 -0.000 0.000 0.192 596 K C 0.532 177.045 176.600 -0.145 0.000 1.027 596 K CA 0.073 56.231 56.287 -0.214 0.000 1.054 596 K CB 0.339 32.723 32.500 -0.194 0.000 0.824 596 K HN 0.170 nan 8.250 nan 0.000 0.510 597 Q N 1.123 120.820 119.800 -0.171 0.000 2.368 597 Q HA 0.181 4.521 4.340 -0.000 0.000 0.237 597 Q C -2.247 173.692 176.000 -0.101 0.000 0.987 597 Q CA -2.236 53.502 55.803 -0.109 0.000 0.896 597 Q CB -0.015 28.717 28.738 -0.010 0.000 1.241 597 Q HN 0.082 nan 8.270 nan 0.000 0.485 598 P HA -0.050 nan 4.420 nan 0.000 0.269 598 P C 0.647 177.930 177.300 -0.029 0.000 1.209 598 P CA -0.189 62.892 63.100 -0.031 0.000 0.776 598 P CB 0.764 32.461 31.700 -0.006 0.000 0.876 599 L N 3.207 124.399 121.223 -0.052 0.000 2.127 599 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 599 L C 2.354 179.207 176.870 -0.030 0.000 1.089 599 L CA 1.855 56.657 54.840 -0.064 0.000 0.757 599 L CB -1.082 40.942 42.059 -0.059 0.000 0.899 599 L HN 0.395 nan 8.230 nan 0.000 0.434 600 E N -1.561 118.643 120.200 0.005 0.000 2.065 600 E HA -0.332 4.018 4.350 -0.000 0.000 0.201 600 E C 2.052 178.685 176.600 0.055 0.000 1.016 600 E CA 2.080 58.497 56.400 0.030 0.000 0.818 600 E CB -0.437 29.291 29.700 0.046 0.000 0.749 600 E HN 0.630 nan 8.360 nan 0.000 0.453 601 Y N 1.450 121.726 120.300 -0.039 0.000 2.163 601 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 601 Y C 2.183 178.075 175.900 -0.015 0.000 1.136 601 Y CA 1.490 59.578 58.100 -0.019 0.000 1.147 601 Y CB -0.013 38.425 38.460 -0.036 0.000 0.987 601 Y HN -0.139 nan 8.280 nan 0.000 0.509 602 R N 0.100 120.474 120.500 -0.209 0.000 2.080 602 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 602 R C 2.305 178.553 176.300 -0.088 0.000 1.137 602 R CA 1.920 57.846 56.100 -0.291 0.000 0.943 602 R CB -0.994 29.073 30.300 -0.388 0.000 0.846 602 R HN 0.384 nan 8.270 nan 0.000 0.431 603 L N 1.371 122.555 121.223 -0.065 0.000 2.265 603 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 603 L C 2.623 179.471 176.870 -0.037 0.000 1.117 603 L CA 1.304 56.127 54.840 -0.028 0.000 0.782 603 L CB -0.390 41.656 42.059 -0.021 0.000 0.914 603 L HN 0.319 nan 8.230 nan 0.000 0.441 604 S N -1.795 113.859 115.700 -0.077 0.000 2.436 604 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 604 S C 1.821 176.369 174.600 -0.087 0.000 1.014 604 S CA 0.566 58.728 58.200 -0.063 0.000 0.950 604 S CB -0.270 62.904 63.200 -0.044 0.000 0.784 604 S HN 0.147 nan 8.310 nan 0.000 0.504 605 V N 1.343 121.168 119.914 -0.149 0.000 2.346 605 V HA 0.224 4.344 4.120 -0.000 0.000 0.244 605 V C 0.890 176.960 176.094 -0.040 0.000 1.037 605 V CA 1.102 63.337 62.300 -0.109 0.000 1.029 605 V CB -0.485 31.276 31.823 -0.104 0.000 0.663 605 V HN 0.497 nan 8.190 nan 0.000 0.454 606 L N 2.635 123.864 121.223 0.011 0.000 2.433 606 L HA 0.394 4.734 4.340 -0.000 0.000 0.256 606 L C -2.427 174.461 176.870 0.030 0.000 1.063 606 L CA -1.455 53.401 54.840 0.026 0.000 0.922 606 L CB 1.420 43.517 42.059 0.063 0.000 1.238 606 L HN 0.152 nan 8.230 nan 0.000 0.466 607 P HA 0.218 nan 4.420 nan 0.000 0.297 607 P C -0.903 176.417 177.300 0.034 0.000 1.303 607 P CA -0.426 62.685 63.100 0.018 0.000 0.753 607 P CB 1.134 32.838 31.700 0.007 0.000 1.281 608 D N -0.467 119.945 120.400 0.021 0.000 2.253 608 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 608 D C 0.619 176.920 176.300 0.001 0.000 1.049 608 D CA 0.069 54.080 54.000 0.019 0.000 0.929 608 D CB -0.198 40.606 40.800 0.007 0.000 1.176 608 D HN 0.340 nan 8.370 nan 0.000 0.437 609 N N -0.696 117.991 118.700 -0.022 0.000 2.948 609 N HA -0.137 4.603 4.740 -0.000 0.000 0.239 609 N C -1.114 174.361 175.510 -0.059 0.000 0.954 609 N CA 0.429 53.450 53.050 -0.049 0.000 0.941 609 N CB -0.876 37.594 38.487 -0.029 0.000 1.101 609 N HN 0.142 nan 8.380 nan 0.000 0.579 610 V N 1.101 120.988 119.914 -0.046 0.000 2.628 610 V HA 0.470 4.589 4.120 -0.000 0.000 0.306 610 V C -2.081 173.959 176.094 -0.089 0.000 1.045 610 V CA -1.468 60.806 62.300 -0.044 0.000 0.905 610 V CB 2.151 33.973 31.823 -0.002 0.000 0.997 610 V HN -0.178 nan 8.190 nan 0.000 0.436 611 P HA 0.306 nan 4.420 nan 0.000 0.268 611 P C -0.901 176.472 177.300 0.122 0.000 1.205 611 P CA 0.223 63.250 63.100 -0.122 0.000 0.771 611 P CB 0.428 32.118 31.700 -0.017 0.000 0.858 612 I N 2.897 123.670 120.570 0.338 0.000 2.466 612 I HA 0.473 4.643 4.170 -0.000 0.000 0.289 612 I C -0.108 176.095 176.117 0.142 0.000 1.026 612 I CA -0.569 60.840 61.300 0.182 0.000 1.078 612 I CB 1.710 39.780 38.000 0.117 0.000 1.249 612 I HN 0.220 nan 8.210 nan 0.000 0.429 613 M N 5.964 125.602 119.600 0.063 0.000 2.326 613 M HA 0.485 4.965 4.480 -0.000 0.000 0.306 613 M C -0.734 175.530 176.300 -0.061 0.000 1.054 613 M CA -0.384 54.932 55.300 0.027 0.000 0.922 613 M CB 1.940 34.558 32.600 0.030 0.000 1.632 613 M HN 0.695 nan 8.290 nan 0.000 0.436 614 S N 3.582 119.185 115.700 -0.161 0.000 2.617 614 S HA 0.788 5.258 4.470 -0.000 0.000 0.283 614 S C -0.750 173.640 174.600 -0.350 0.000 1.189 614 S CA -0.715 57.226 58.200 -0.432 0.000 1.036 614 S CB 1.670 64.310 63.200 -0.933 0.000 1.014 614 S HN 0.560 nan 8.310 nan 0.000 0.522 615 V N 1.813 121.519 119.914 -0.347 0.000 2.447 615 V HA 0.658 4.778 4.120 -0.000 0.000 0.292 615 V C -0.456 175.541 176.094 -0.161 0.000 1.021 615 V CA -0.372 61.863 62.300 -0.108 0.000 0.850 615 V CB 0.900 32.765 31.823 0.070 0.000 1.005 615 V HN 1.051 nan 8.190 nan 0.000 0.426 616 E N 2.998 123.095 120.200 -0.171 0.000 2.388 616 E HA 0.303 4.653 4.350 -0.000 0.000 0.289 616 E C -0.443 175.968 176.600 -0.314 0.000 0.944 616 E CA -0.619 55.700 56.400 -0.135 0.000 0.792 616 E CB 2.609 32.345 29.700 0.060 0.000 1.239 616 E HN 0.590 nan 8.360 nan 0.000 0.412 617 V N 2.628 122.239 119.914 -0.506 0.000 3.299 617 V HA 0.288 4.407 4.120 -0.000 0.000 0.369 617 V C -0.178 175.600 176.094 -0.527 0.000 1.245 617 V CA 0.335 62.134 62.300 -0.835 0.000 1.459 617 V CB -1.517 29.750 31.823 -0.926 0.000 1.203 617 V HN 0.401 nan 8.190 nan 0.000 0.451 618 L N 0.091 121.124 121.223 -0.316 0.000 2.332 618 L HA 0.878 5.218 4.340 -0.000 0.000 0.242 618 L C 0.654 177.454 176.870 -0.116 0.000 1.127 618 L CA -0.384 54.327 54.840 -0.214 0.000 0.948 618 L CB 0.942 42.921 42.059 -0.133 0.000 1.553 618 L HN 0.124 nan 8.230 nan 0.000 0.419 619 A N -0.470 122.302 122.820 -0.079 0.000 2.565 619 A HA 0.311 4.631 4.320 -0.000 0.000 0.237 619 A C 1.023 178.671 177.584 0.106 0.000 1.053 619 A CA 0.698 52.719 52.037 -0.028 0.000 0.755 619 A CB -0.264 18.704 19.000 -0.053 0.000 0.980 619 A HN 0.843 nan 8.150 nan 0.000 0.506 620 T N -0.473 114.146 114.554 0.108 0.000 3.148 620 T HA -0.051 4.299 4.350 -0.000 0.000 0.253 620 T C 1.496 176.349 174.700 0.254 0.000 1.134 620 T CA 1.143 63.368 62.100 0.208 0.000 1.051 620 T CB -0.786 68.149 68.868 0.112 0.000 0.959 620 T HN 0.872 nan 8.240 nan 0.000 0.525 621 T N 1.338 115.984 114.554 0.155 0.000 2.674 621 T HA -0.212 4.138 4.350 -0.000 0.000 0.265 621 T C 2.351 177.129 174.700 0.130 0.000 1.039 621 T CA 1.425 63.591 62.100 0.109 0.000 1.150 621 T CB -1.633 67.261 68.868 0.042 0.000 0.864 621 T HN 0.762 nan 8.240 nan 0.000 0.427 622 C N -0.970 118.393 119.300 0.105 0.000 2.413 622 C HA 0.065 4.524 4.460 -0.000 0.000 0.292 622 C C 2.193 177.257 174.990 0.123 0.000 1.435 622 C CA -0.668 58.384 59.018 0.058 0.000 1.791 622 C CB -2.496 25.200 27.740 -0.074 0.000 1.784 622 C HN 0.655 nan 8.230 nan 0.000 0.548 623 W N 1.128 122.537 121.300 0.180 0.000 3.003 623 W HA 0.275 4.935 4.660 -0.000 0.000 0.257 623 W C 2.403 178.973 176.519 0.085 0.000 1.308 623 W CA 0.315 57.783 57.345 0.206 0.000 1.529 623 W CB -0.265 29.307 29.460 0.186 0.000 1.115 623 W HN 0.414 nan 8.180 nan 0.000 0.659 624 G N 1.027 109.959 108.800 0.221 0.000 2.653 624 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.212 624 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.212 624 G C 1.391 176.269 174.900 -0.036 0.000 1.138 624 G CA 0.656 45.813 45.100 0.095 0.000 0.782 624 G HN 0.367 nan 8.290 nan 0.000 0.535 625 K N -1.418 118.878 120.400 -0.174 0.000 2.387 625 K HA 0.266 4.586 4.320 -0.000 0.000 0.198 625 K C 0.308 176.544 176.600 -0.607 0.000 1.022 625 K CA -0.053 55.969 56.287 -0.441 0.000 1.128 625 K CB 0.147 32.268 32.500 -0.632 0.000 0.853 625 K HN 0.331 nan 8.250 nan 0.000 0.523 626 Y N -0.143 120.117 120.300 -0.066 0.000 2.855 626 Y HA 0.330 4.880 4.550 -0.000 0.000 0.251 626 Y C 0.596 176.444 175.900 -0.086 0.000 1.152 626 Y CA -0.287 57.770 58.100 -0.072 0.000 1.201 626 Y CB 0.339 38.758 38.460 -0.068 0.000 1.392 626 Y HN 0.134 nan 8.280 nan 0.000 0.470 627 A N -0.098 122.831 122.820 0.182 0.000 2.306 627 A HA 0.520 4.840 4.320 -0.000 0.000 0.330 627 A C -0.223 177.316 177.584 -0.075 0.000 1.146 627 A CA -0.206 51.859 52.037 0.047 0.000 0.827 627 A CB 0.398 19.482 19.000 0.141 0.000 1.178 627 A HN 0.486 nan 8.150 nan 0.000 0.490 628 H N -0.204 118.919 119.070 0.089 0.000 2.399 628 H HA 0.109 4.665 4.556 -0.000 0.000 0.300 628 H C 0.258 175.685 175.328 0.166 0.000 1.048 628 H CA 1.210 57.317 56.048 0.098 0.000 1.370 628 H CB 0.310 30.069 29.762 -0.004 0.000 1.428 628 H HN 0.521 nan 8.280 nan 0.000 0.534 629 Q N 0.002 119.944 119.800 0.236 0.000 2.433 629 Q HA 0.507 4.847 4.340 -0.000 0.000 0.279 629 Q C -1.016 175.023 176.000 0.065 0.000 1.105 629 Q CA -0.615 55.269 55.803 0.135 0.000 0.815 629 Q CB 2.892 31.691 28.738 0.101 0.000 1.403 629 Q HN 0.055 nan 8.270 nan 0.000 0.435 630 S N 1.146 116.871 115.700 0.040 0.000 2.571 630 S HA 0.546 5.016 4.470 -0.000 0.000 0.284 630 S C -1.363 173.281 174.600 0.073 0.000 1.128 630 S CA -0.560 57.635 58.200 -0.007 0.000 0.970 630 S CB 0.913 64.115 63.200 0.003 0.000 1.039 630 S HN 0.454 nan 8.310 nan 0.000 0.485 631 F N 3.161 123.041 119.950 -0.116 0.000 2.361 631 F HA 0.785 5.312 4.527 -0.000 0.000 0.364 631 F C 0.312 176.190 175.800 0.129 0.000 1.117 631 F CA -0.629 57.342 58.000 -0.049 0.000 1.071 631 F CB 0.388 39.301 39.000 -0.144 0.000 1.188 631 F HN 0.680 nan 8.300 nan 0.000 0.464 632 G N 5.499 114.335 108.800 0.061 0.000 2.870 632 G HA2 0.618 4.578 3.960 -0.000 0.000 0.299 632 G HA3 0.618 4.578 3.960 -0.000 0.000 0.299 632 G C -1.800 173.086 174.900 -0.023 0.000 1.324 632 G CA -0.875 44.209 45.100 -0.027 0.000 0.808 632 G HN 0.482 nan 8.290 nan 0.000 0.535 633 I N 0.793 121.265 120.570 -0.163 0.000 2.439 633 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 633 I C -0.893 175.134 176.117 -0.150 0.000 1.021 633 I CA -0.568 60.624 61.300 -0.179 0.000 1.091 633 I CB 2.334 40.060 38.000 -0.456 0.000 1.242 633 I HN 0.362 nan 8.210 nan 0.000 0.439 634 D N 6.177 126.530 120.400 -0.078 0.000 2.559 634 D HA 0.145 4.785 4.640 -0.000 0.000 0.234 634 D C 0.038 176.276 176.300 -0.103 0.000 1.226 634 D CA -0.113 53.831 54.000 -0.095 0.000 0.830 634 D CB 0.664 41.439 40.800 -0.042 0.000 1.028 634 D HN 0.513 nan 8.370 nan 0.000 0.492 635 R N -1.305 119.146 120.500 -0.081 0.000 2.888 635 R HA 0.550 4.890 4.340 -0.000 0.000 0.264 635 R C -0.404 175.864 176.300 -0.053 0.000 1.045 635 R CA -0.726 55.356 56.100 -0.029 0.000 0.962 635 R CB 0.155 30.538 30.300 0.138 0.000 1.210 635 R HN -0.338 nan 8.270 nan 0.000 0.479 636 F N -0.065 119.927 119.950 0.071 0.000 2.472 636 F HA 0.400 4.927 4.527 0.000 0.000 0.312 636 F C 1.857 177.727 175.800 0.116 0.000 1.256 636 F CA 1.382 59.413 58.000 0.052 0.000 1.275 636 F CB 0.305 39.339 39.000 0.056 0.000 1.228 636 F HN 0.763 nan 8.300 nan 0.000 0.567 637 G N -0.659 108.317 108.800 0.293 0.000 2.582 637 G HA2 0.611 4.571 3.960 -0.000 0.000 0.232 637 G HA3 0.611 4.571 3.960 -0.000 0.000 0.232 637 G C -1.538 173.567 174.900 0.342 0.000 1.458 637 G CA -0.028 45.222 45.100 0.250 0.000 1.062 637 G HN 0.897 nan 8.290 nan 0.000 0.566 638 A N -1.570 121.403 122.820 0.256 0.000 2.566 638 A HA 0.645 4.965 4.320 -0.000 0.000 0.297 638 A C -0.395 177.221 177.584 0.053 0.000 1.059 638 A CA -0.317 51.802 52.037 0.136 0.000 0.691 638 A CB 1.312 20.367 19.000 0.091 0.000 1.282 638 A HN 0.810 nan 8.150 nan 0.000 0.401 639 S N -0.055 115.643 115.700 -0.002 0.000 2.548 639 S HA 0.705 5.175 4.470 -0.000 0.000 0.277 639 S C 0.422 175.003 174.600 -0.032 0.000 1.315 639 S CA 0.819 59.011 58.200 -0.015 0.000 1.050 639 S CB 0.738 63.922 63.200 -0.027 0.000 0.918 639 S HN 2.106 nan 8.310 nan 0.000 0.497 640 G N 3.000 111.794 108.800 -0.011 0.000 2.325 640 G HA2 0.246 4.206 3.960 -0.000 0.000 0.297 640 G HA3 0.246 4.206 3.960 -0.000 0.000 0.297 640 G C -1.971 172.943 174.900 0.023 0.000 1.448 640 G CA -1.038 44.055 45.100 -0.011 0.000 0.838 640 G HN 0.601 nan 8.290 nan 0.000 0.579 641 K N 0.661 121.082 120.400 0.034 0.000 2.412 641 K HA 0.423 4.743 4.320 -0.000 0.000 0.281 641 K C 1.529 178.190 176.600 0.101 0.000 1.027 641 K CA 0.342 56.663 56.287 0.058 0.000 0.989 641 K CB 1.577 34.108 32.500 0.053 0.000 0.935 641 K HN 0.683 nan 8.250 nan 0.000 0.475 642 A N 5.855 128.751 122.820 0.128 0.000 1.997 642 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 642 A C -0.662 177.147 177.584 0.374 0.000 1.172 642 A CA 1.374 53.544 52.037 0.222 0.000 0.645 642 A CB -1.096 18.052 19.000 0.246 0.000 0.813 642 A HN 0.633 nan 8.150 nan 0.000 0.454 643 P HA -0.144 nan 4.420 nan 0.000 0.217 643 P C 1.153 178.608 177.300 0.259 0.000 1.150 643 P CA 1.398 64.640 63.100 0.236 0.000 0.832 643 P CB -0.065 31.705 31.700 0.116 0.000 0.787 644 E N -0.692 119.623 120.200 0.191 0.000 2.106 644 E HA -0.092 4.257 4.350 -0.000 0.000 0.192 644 E C 1.912 178.640 176.600 0.215 0.000 0.984 644 E CA 0.974 57.470 56.400 0.160 0.000 0.806 644 E CB -0.530 29.220 29.700 0.084 0.000 0.750 644 E HN 0.105 nan 8.360 nan 0.000 0.458 645 V N 0.747 120.805 119.914 0.240 0.000 2.323 645 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 645 V C 1.938 178.314 176.094 0.470 0.000 1.041 645 V CA 1.544 64.031 62.300 0.312 0.000 1.025 645 V CB -0.550 31.389 31.823 0.194 0.000 0.656 645 V HN 0.145 nan 8.190 nan 0.000 0.451 646 F N 0.574 120.711 119.950 0.310 0.000 2.102 646 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 646 F C 2.507 178.526 175.800 0.365 0.000 1.105 646 F CA 2.081 60.269 58.000 0.314 0.000 1.239 646 F CB -0.390 38.722 39.000 0.187 0.000 0.991 646 F HN -0.013 nan 8.300 nan 0.000 0.474 647 K N -0.233 120.441 120.400 0.457 0.000 2.097 647 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 647 K C 2.208 178.979 176.600 0.285 0.000 1.049 647 K CA 1.371 57.846 56.287 0.314 0.000 0.933 647 K CB -0.488 32.147 32.500 0.225 0.000 0.717 647 K HN 0.206 nan 8.250 nan 0.000 0.442 648 F N 1.090 121.106 119.950 0.109 0.000 2.043 648 F HA -0.220 4.308 4.527 0.000 0.000 0.297 648 F C 1.589 177.353 175.800 -0.060 0.000 1.121 648 F CA 1.619 59.580 58.000 -0.065 0.000 1.199 648 F CB -0.761 38.081 39.000 -0.262 0.000 0.968 648 F HN -0.052 nan 8.300 nan 0.000 0.478 649 F N 0.619 120.602 119.950 0.055 0.000 2.604 649 F HA 0.183 4.710 4.527 -0.000 0.000 0.298 649 F C 2.099 177.996 175.800 0.163 0.000 1.131 649 F CA 1.111 59.098 58.000 -0.021 0.000 1.457 649 F CB -0.712 38.369 39.000 0.135 0.000 1.095 649 F HN 0.271 nan 8.300 nan 0.000 0.574 650 G N -0.695 108.299 108.800 0.322 0.000 2.134 650 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.209 650 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.209 650 G C 0.063 175.092 174.900 0.216 0.000 0.993 650 G CA -0.623 44.600 45.100 0.205 0.000 0.669 650 G HN 0.226 nan 8.290 nan 0.000 0.519 651 F N 2.846 123.000 119.950 0.340 0.000 2.573 651 F HA 0.510 5.037 4.527 -0.000 0.000 0.349 651 F C 1.189 177.137 175.800 0.245 0.000 1.213 651 F CA 0.549 58.737 58.000 0.313 0.000 1.300 651 F CB 0.642 39.790 39.000 0.247 0.000 1.661 651 F HN 0.263 nan 8.300 nan 0.000 0.616 652 T N -1.580 113.122 114.554 0.246 0.000 2.916 652 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 652 T C -2.240 172.514 174.700 0.091 0.000 1.064 652 T CA -2.370 59.818 62.100 0.146 0.000 1.011 652 T CB 2.342 71.274 68.868 0.107 0.000 1.152 652 T HN -0.112 nan 8.240 nan 0.000 0.510 653 P HA -0.061 nan 4.420 nan 0.000 0.214 653 P C 1.429 178.731 177.300 0.003 0.000 1.163 653 P CA 1.157 64.274 63.100 0.028 0.000 0.883 653 P CB 0.111 31.820 31.700 0.015 0.000 0.788 654 E N -0.936 119.261 120.200 -0.005 0.000 2.153 654 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 654 E C 2.211 178.773 176.600 -0.063 0.000 0.988 654 E CA 1.240 57.623 56.400 -0.028 0.000 0.811 654 E CB -0.760 28.928 29.700 -0.020 0.000 0.746 654 E HN 0.284 nan 8.360 nan 0.000 0.466 655 G N 0.912 109.675 108.800 -0.062 0.000 2.403 655 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 655 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 655 G C 1.746 176.479 174.900 -0.279 0.000 1.154 655 G CA 0.395 45.410 45.100 -0.142 0.000 0.784 655 G HN 0.100 nan 8.290 nan 0.000 0.538 656 V N 1.555 121.375 119.914 -0.157 0.000 2.307 656 V HA -0.089 4.031 4.120 -0.000 0.000 0.245 656 V C 3.337 179.328 176.094 -0.172 0.000 1.045 656 V CA 1.927 64.124 62.300 -0.172 0.000 1.024 656 V CB -0.822 31.036 31.823 0.057 0.000 0.651 656 V HN 0.451 nan 8.190 nan 0.000 0.449 657 A N -0.476 122.283 122.820 -0.102 0.000 1.917 657 A HA -0.321 3.998 4.320 -0.000 0.000 0.219 657 A C 2.297 179.816 177.584 -0.108 0.000 1.182 657 A CA 2.241 54.229 52.037 -0.081 0.000 0.633 657 A CB -0.593 18.375 19.000 -0.053 0.000 0.819 657 A HN 0.629 nan 8.150 nan 0.000 0.448 658 E N -0.411 119.705 120.200 -0.141 0.000 2.085 658 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 658 E C 2.263 178.751 176.600 -0.187 0.000 0.994 658 E CA 1.252 57.562 56.400 -0.150 0.000 0.801 658 E CB -0.111 29.491 29.700 -0.163 0.000 0.743 658 E HN 0.615 nan 8.360 nan 0.000 0.453 659 R N -0.219 120.111 120.500 -0.283 0.000 2.115 659 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 659 R C 2.328 178.522 176.300 -0.176 0.000 1.111 659 R CA 1.001 56.921 56.100 -0.299 0.000 0.976 659 R CB -0.170 29.824 30.300 -0.511 0.000 0.870 659 R HN 0.160 nan 8.270 nan 0.000 0.445 660 A N 0.828 123.570 122.820 -0.130 0.000 1.898 660 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 660 A C 1.985 179.549 177.584 -0.035 0.000 1.181 660 A CA 1.087 53.089 52.037 -0.059 0.000 0.620 660 A CB -0.322 18.652 19.000 -0.044 0.000 0.819 660 A HN 0.297 nan 8.150 nan 0.000 0.442 661 Q N -0.261 119.508 119.800 -0.052 0.000 2.061 661 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 661 Q C 1.903 177.886 176.000 -0.030 0.000 0.984 661 Q CA 1.516 57.298 55.803 -0.035 0.000 0.846 661 Q CB -0.210 28.500 28.738 -0.047 0.000 0.902 661 Q HN 0.501 nan 8.270 nan 0.000 0.421 662 K N 0.015 120.378 120.400 -0.062 0.000 2.147 662 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 662 K C 2.034 178.615 176.600 -0.032 0.000 1.049 662 K CA 1.239 57.489 56.287 -0.061 0.000 0.936 662 K CB -0.597 31.830 32.500 -0.121 0.000 0.722 662 K HN 0.201 nan 8.250 nan 0.000 0.446 663 T N 2.275 116.816 114.554 -0.021 0.000 2.777 663 T HA -0.016 4.333 4.350 -0.000 0.000 0.266 663 T C 2.114 176.929 174.700 0.192 0.000 1.040 663 T CA 0.866 63.011 62.100 0.075 0.000 1.141 663 T CB -0.173 68.755 68.868 0.100 0.000 0.868 663 T HN 0.112 nan 8.240 nan 0.000 0.444 664 I N 1.413 122.055 120.570 0.120 0.000 2.163 664 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 664 I C 2.937 179.119 176.117 0.107 0.000 1.085 664 I CA 1.302 62.672 61.300 0.116 0.000 1.347 664 I CB -0.495 37.537 38.000 0.054 0.000 1.044 664 I HN 0.203 nan 8.210 nan 0.000 0.408 665 A N 0.361 123.223 122.820 0.071 0.000 1.933 665 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 665 A C 2.221 179.837 177.584 0.054 0.000 1.175 665 A CA 1.426 53.492 52.037 0.048 0.000 0.628 665 A CB -0.970 18.047 19.000 0.028 0.000 0.814 665 A HN 0.467 nan 8.150 nan 0.000 0.444 666 F N -1.284 118.587 119.950 -0.132 0.000 2.234 666 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 666 F C 1.489 177.116 175.800 -0.289 0.000 1.087 666 F CA 1.338 59.180 58.000 -0.264 0.000 1.340 666 F CB -0.010 38.732 39.000 -0.429 0.000 1.031 666 F HN 0.292 nan 8.300 nan 0.000 0.500 667 Y N -0.184 120.135 120.300 0.032 0.000 2.467 667 Y HA 0.261 4.811 4.550 -0.000 0.000 0.250 667 Y C 0.638 176.489 175.900 -0.082 0.000 1.155 667 Y CA -0.572 57.483 58.100 -0.076 0.000 1.249 667 Y CB -0.394 38.060 38.460 -0.009 0.000 1.146 667 Y HN -0.270 nan 8.280 nan 0.000 0.524 668 K N 0.817 121.257 120.400 0.067 0.000 2.419 668 K HA 0.301 4.621 4.320 -0.000 0.000 0.282 668 K C 0.956 177.555 176.600 -0.001 0.000 1.056 668 K CA 1.211 57.516 56.287 0.031 0.000 1.035 668 K CB -0.348 32.160 32.500 0.015 0.000 0.921 668 K HN 0.455 nan 8.250 nan 0.000 0.472 669 G N 3.088 111.889 108.800 0.001 0.000 2.165 669 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.226 669 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.226 669 G C -0.977 173.914 174.900 -0.015 0.000 1.035 669 G CA -0.134 44.958 45.100 -0.012 0.000 0.744 669 G HN 0.643 nan 8.290 nan 0.000 0.501 670 D N -0.130 120.267 120.400 -0.005 0.000 2.481 670 D HA 0.572 5.212 4.640 -0.000 0.000 0.244 670 D C 0.319 176.599 176.300 -0.034 0.000 1.057 670 D CA -0.560 53.434 54.000 -0.009 0.000 0.848 670 D CB 1.659 42.480 40.800 0.035 0.000 1.388 670 D HN 0.495 nan 8.370 nan 0.000 0.475 671 K N 1.059 121.435 120.400 -0.039 0.000 2.144 671 K HA 0.602 4.922 4.320 -0.000 0.000 0.270 671 K C -1.154 175.394 176.600 -0.087 0.000 1.005 671 K CA -0.386 55.870 56.287 -0.053 0.000 0.932 671 K CB 0.864 33.345 32.500 -0.031 0.000 1.021 671 K HN 0.377 nan 8.250 nan 0.000 0.462 672 L N 3.798 124.949 121.223 -0.120 0.000 2.365 672 L HA 0.527 4.866 4.340 -0.000 0.000 0.273 672 L C -0.630 176.208 176.870 -0.053 0.000 1.000 672 L CA -1.102 53.633 54.840 -0.175 0.000 0.819 672 L CB 1.624 43.437 42.059 -0.411 0.000 1.284 672 L HN 0.654 nan 8.230 nan 0.000 0.418 673 I N 1.343 121.925 120.570 0.019 0.000 2.377 673 I HA 0.199 4.368 4.170 -0.000 0.000 0.293 673 I C 0.530 176.723 176.117 0.127 0.000 0.987 673 I CA -0.239 61.095 61.300 0.056 0.000 1.185 673 I CB 1.995 40.018 38.000 0.038 0.000 1.341 673 I HN 0.561 nan 8.210 nan 0.000 0.455 674 S N 6.865 122.610 115.700 0.075 0.000 2.546 674 S HA 0.128 4.597 4.470 -0.000 0.000 0.290 674 S C -1.501 173.087 174.600 -0.021 0.000 1.290 674 S CA -0.816 57.409 58.200 0.042 0.000 1.069 674 S CB 0.653 63.869 63.200 0.027 0.000 0.846 674 S HN 0.394 nan 8.310 nan 0.000 0.495 675 P HA -0.125 nan 4.420 nan 0.000 0.219 675 P C 0.990 178.223 177.300 -0.111 0.000 1.144 675 P CA 1.138 64.160 63.100 -0.131 0.000 0.806 675 P CB -0.007 31.578 31.700 -0.191 0.000 0.771 676 L N -1.808 119.375 121.223 -0.066 0.000 2.275 676 L HA -0.090 4.249 4.340 -0.000 0.000 0.215 676 L C 0.988 177.808 176.870 -0.085 0.000 1.119 676 L CA 0.982 55.782 54.840 -0.067 0.000 0.790 676 L CB -0.641 41.416 42.059 -0.003 0.000 0.919 676 L HN -0.047 nan 8.230 nan 0.000 0.443 677 K N 1.165 121.524 120.400 -0.068 0.000 2.248 677 K HA 0.253 4.573 4.320 -0.000 0.000 0.281 677 K C -0.468 176.074 176.600 -0.097 0.000 1.054 677 K CA -0.483 55.762 56.287 -0.069 0.000 0.903 677 K CB 0.943 33.421 32.500 -0.038 0.000 1.077 677 K HN -0.208 nan 8.250 nan 0.000 0.474 678 K N 1.337 121.658 120.400 -0.131 0.000 2.207 678 K HA 0.328 4.648 4.320 -0.000 0.000 0.255 678 K C 0.247 176.735 176.600 -0.187 0.000 0.941 678 K CA -0.587 55.571 56.287 -0.215 0.000 0.825 678 K CB 1.842 34.174 32.500 -0.280 0.000 1.119 678 K HN 0.636 nan 8.250 nan 0.000 0.430 679 A N 1.928 124.614 122.820 -0.223 0.000 2.195 679 A HA 0.276 4.596 4.320 -0.000 0.000 0.210 679 A C 0.060 177.691 177.584 0.077 0.000 1.165 679 A CA 0.506 52.528 52.037 -0.026 0.000 0.806 679 A CB -0.390 18.683 19.000 0.122 0.000 0.847 679 A HN 0.629 nan 8.150 nan 0.000 0.482 680 F N 0.000 119.943 119.950 -0.012 0.000 2.286 680 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 680 F CA 0.000 57.994 58.000 -0.011 0.000 1.383 680 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574