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 3hbb_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDX XXXXXXXXLH ADSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.249 58.200 0.081 0.000 1.107 2 S CB 0.000 63.273 63.200 0.121 0.000 0.593 3 L N 2.763 124.034 121.223 0.080 0.000 2.980 3 L HA 0.539 4.874 4.340 -0.009 0.000 0.314 3 L C -1.445 175.292 176.870 -0.221 0.000 1.303 3 L CA 0.159 54.896 54.840 -0.171 0.000 0.785 3 L CB 0.170 42.096 42.059 -0.222 0.000 1.190 3 L HN 0.459 nan 8.230 nan 0.000 0.567 4 F N -0.043 119.837 119.950 -0.117 0.000 2.925 4 F HA 0.330 4.852 4.527 -0.008 0.000 0.302 4 F C 1.216 176.966 175.800 -0.084 0.000 1.189 4 F CA -0.475 57.484 58.000 -0.068 0.000 1.346 4 F CB 0.073 39.059 39.000 -0.024 0.000 0.954 4 F HN -0.060 nan 8.300 nan 0.000 0.506 5 K N 0.489 120.867 120.400 -0.037 0.000 2.155 5 K HA 0.503 4.818 4.320 -0.009 0.000 0.237 5 K C -0.141 176.508 176.600 0.083 0.000 1.040 5 K CA -0.588 55.667 56.287 -0.054 0.000 0.912 5 K CB 1.453 33.725 32.500 -0.379 0.000 1.137 5 K HN 0.085 nan 8.250 nan 0.000 0.498 6 I N 1.361 122.038 120.570 0.180 0.000 2.339 6 I HA 0.226 4.391 4.170 -0.009 0.000 0.290 6 I C 0.473 176.792 176.117 0.337 0.000 0.994 6 I CA -0.557 60.861 61.300 0.196 0.000 1.191 6 I CB 1.325 39.387 38.000 0.103 0.000 1.343 6 I HN 0.334 nan 8.210 nan 0.000 0.458 7 R N 7.163 127.829 120.500 0.276 0.000 2.298 7 R HA 0.363 4.698 4.340 -0.009 0.000 0.310 7 R C -0.328 175.968 176.300 -0.006 0.000 1.068 7 R CA -0.694 55.457 56.100 0.086 0.000 0.957 7 R CB 0.624 30.933 30.300 0.014 0.000 1.003 7 R HN 0.487 nan 8.270 nan 0.000 0.454 8 M N 5.093 124.659 119.600 -0.057 0.000 2.248 8 M HA 0.196 4.671 4.480 -0.009 0.000 0.337 8 M C -1.850 174.412 176.300 -0.064 0.000 1.121 8 M CA -2.159 53.123 55.300 -0.030 0.000 1.155 8 M CB -0.029 32.579 32.600 0.013 0.000 1.514 8 M HN 0.463 nan 8.290 nan 0.000 0.452 9 P HA -0.017 nan 4.420 nan 0.000 0.268 9 P C 0.799 178.065 177.300 -0.055 0.000 1.208 9 P CA -0.094 62.976 63.100 -0.051 0.000 0.777 9 P CB 0.272 31.944 31.700 -0.047 0.000 0.875 10 E N 1.091 121.260 120.200 -0.051 0.000 2.114 10 E HA -0.196 4.148 4.350 -0.009 0.000 0.199 10 E C 0.614 177.188 176.600 -0.042 0.000 1.008 10 E CA 2.456 58.827 56.400 -0.049 0.000 0.810 10 E CB -1.351 28.325 29.700 -0.040 0.000 0.739 10 E HN 0.590 nan 8.360 nan 0.000 0.456 11 T N -2.040 112.492 114.554 -0.036 0.000 2.512 11 T HA 0.601 4.946 4.350 -0.009 0.000 0.211 11 T C 0.321 175.003 174.700 -0.030 0.000 0.767 11 T CA -0.243 61.840 62.100 -0.029 0.000 1.287 11 T CB 0.621 69.475 68.868 -0.023 0.000 1.656 11 T HN -0.028 nan 8.240 nan 0.000 0.479 12 V N 1.074 120.973 119.914 -0.025 0.000 2.769 12 V HA 0.780 4.895 4.120 -0.009 0.000 0.312 12 V C 0.724 176.802 176.094 -0.026 0.000 1.058 12 V CA -1.248 61.036 62.300 -0.027 0.000 0.952 12 V CB 1.108 32.922 31.823 -0.015 0.000 1.019 12 V HN 1.212 nan 8.190 nan 0.000 0.445 13 A N 1.548 124.349 122.820 -0.031 0.000 2.483 13 A HA 0.284 4.599 4.320 -0.009 0.000 0.238 13 A C 0.291 177.868 177.584 -0.012 0.000 1.070 13 A CA 0.047 52.069 52.037 -0.025 0.000 0.770 13 A CB -0.105 18.878 19.000 -0.028 0.000 1.008 13 A HN 0.970 nan 8.150 nan 0.000 0.497 14 E N 0.692 120.887 120.200 -0.010 0.000 2.316 14 E HA 0.415 4.760 4.350 -0.009 0.000 0.275 14 E C 1.080 177.682 176.600 0.004 0.000 1.029 14 E CA 0.826 57.224 56.400 -0.003 0.000 0.871 14 E CB 0.133 29.830 29.700 -0.005 0.000 1.022 14 E HN 1.479 nan 8.360 nan 0.000 0.418 15 G N 3.273 112.077 108.800 0.007 0.000 2.157 15 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.248 15 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.248 15 G C 0.211 175.121 174.900 0.017 0.000 0.979 15 G CA 0.201 45.309 45.100 0.013 0.000 0.650 15 G HN 0.609 nan 8.290 nan 0.000 0.529 16 T N 1.844 116.406 114.554 0.014 0.000 2.853 16 T HA 0.415 4.760 4.350 -0.009 0.000 0.298 16 T C 0.955 175.666 174.700 0.017 0.000 0.978 16 T CA 0.350 62.461 62.100 0.018 0.000 1.152 16 T CB 0.892 69.767 68.868 0.012 0.000 0.914 16 T HN 0.768 nan 8.240 nan 0.000 0.539 17 R N 3.821 124.334 120.500 0.021 0.000 2.539 17 R HA 0.396 4.731 4.340 -0.009 0.000 0.275 17 R C -0.311 175.992 176.300 0.005 0.000 1.077 17 R CA -0.763 55.343 56.100 0.011 0.000 1.097 17 R CB 0.535 30.839 30.300 0.007 0.000 1.018 17 R HN 0.571 nan 8.270 nan 0.000 0.483 18 L N 2.506 123.727 121.223 -0.003 0.000 2.426 18 L HA 0.224 4.559 4.340 -0.009 0.000 0.271 18 L C 0.135 176.989 176.870 -0.028 0.000 1.169 18 L CA -0.301 54.536 54.840 -0.005 0.000 0.836 18 L CB 0.998 43.053 42.059 -0.008 0.000 1.112 18 L HN 0.966 nan 8.230 nan 0.000 0.465 19 A N 6.463 129.268 122.820 -0.025 0.000 2.515 19 A HA 0.291 4.606 4.320 -0.009 0.000 0.263 19 A C -0.220 177.312 177.584 -0.087 0.000 1.096 19 A CA -0.052 51.947 52.037 -0.064 0.000 0.769 19 A CB -0.379 18.604 19.000 -0.029 0.000 1.040 19 A HN 0.664 nan 8.150 nan 0.000 0.505 20 L N 1.741 122.878 121.223 -0.143 0.000 2.431 20 L HA 0.680 5.015 4.340 -0.009 0.000 0.260 20 L C 0.672 177.470 176.870 -0.120 0.000 1.098 20 L CA -0.910 53.856 54.840 -0.124 0.000 0.800 20 L CB 0.800 42.791 42.059 -0.113 0.000 1.210 20 L HN 0.780 nan 8.230 nan 0.000 0.465 21 R N 0.611 121.071 120.500 -0.068 0.000 2.604 21 R HA 0.686 5.021 4.340 -0.009 0.000 0.287 21 R C -0.856 175.510 176.300 0.109 0.000 0.970 21 R CA -0.294 55.802 56.100 -0.006 0.000 0.946 21 R CB 1.657 31.943 30.300 -0.024 0.000 1.127 21 R HN 0.704 nan 8.270 nan 0.000 0.473 22 A N 3.266 126.184 122.820 0.163 0.000 2.340 22 A HA 0.599 4.914 4.320 -0.009 0.000 0.268 22 A C -1.013 176.748 177.584 0.295 0.000 1.100 22 A CA -0.244 51.951 52.037 0.264 0.000 0.803 22 A CB 0.006 19.124 19.000 0.196 0.000 1.043 22 A HN 0.630 nan 8.150 nan 0.000 0.488 23 F N -0.510 119.442 119.950 0.003 0.000 2.654 23 F HA 0.751 5.273 4.527 -0.009 0.000 0.308 23 F C -0.320 175.479 175.800 -0.003 0.000 1.108 23 F CA -1.021 56.947 58.000 -0.052 0.000 0.957 23 F CB 0.709 39.694 39.000 -0.026 0.000 1.309 23 F HN 0.362 nan 8.300 nan 0.000 0.446 24 S N 1.700 117.331 115.700 -0.116 0.000 2.730 24 S HA 0.786 5.251 4.470 -0.009 0.000 0.284 24 S C -1.224 173.497 174.600 0.202 0.000 1.153 24 S CA -0.770 57.428 58.200 -0.004 0.000 0.995 24 S CB 1.586 64.898 63.200 0.187 0.000 1.058 24 S HN 0.816 nan 8.310 nan 0.000 0.552 25 L N 1.733 123.133 121.223 0.295 0.000 2.409 25 L HA 0.663 4.998 4.340 -0.009 0.000 0.272 25 L C -1.759 175.357 176.870 0.410 0.000 0.980 25 L CA -0.531 54.527 54.840 0.363 0.000 0.826 25 L CB 1.406 43.630 42.059 0.275 0.000 1.268 25 L HN 0.404 nan 8.230 nan 0.000 0.407 26 V N 5.555 125.712 119.914 0.405 0.000 2.448 26 V HA 0.701 4.816 4.120 -0.009 0.000 0.295 26 V C -0.431 175.855 176.094 0.320 0.000 1.025 26 V CA -0.560 61.956 62.300 0.360 0.000 0.859 26 V CB 1.668 33.639 31.823 0.246 0.000 0.988 26 V HN 0.547 nan 8.190 nan 0.000 0.431 27 V N 3.499 123.522 119.914 0.181 0.000 3.188 27 V HA 0.984 5.099 4.120 -0.009 0.000 0.305 27 V C -1.060 175.054 176.094 0.032 0.000 1.232 27 V CA -0.155 62.129 62.300 -0.026 0.000 1.043 27 V CB 2.585 34.028 31.823 -0.634 0.000 1.068 27 V HN 1.192 nan 8.190 nan 0.000 0.439 28 A N 3.721 126.557 122.820 0.028 0.000 2.381 28 A HA 0.909 5.224 4.320 -0.009 0.000 0.299 28 A C -1.035 176.651 177.584 0.170 0.000 1.049 28 A CA -0.036 52.061 52.037 0.101 0.000 0.715 28 A CB 1.582 20.698 19.000 0.194 0.000 1.222 28 A HN 1.886 nan 8.150 nan 0.000 0.428 29 V N -0.357 119.537 119.914 -0.033 0.000 3.160 29 V HA 0.878 4.993 4.120 -0.009 0.000 0.310 29 V C -0.782 175.068 176.094 -0.406 0.000 1.181 29 V CA -0.924 61.332 62.300 -0.073 0.000 1.047 29 V CB 1.910 33.752 31.823 0.032 0.000 1.068 29 V HN 0.922 nan 8.190 nan 0.000 0.441 30 D N -0.326 119.862 120.400 -0.353 0.000 2.440 30 D HA 0.448 5.083 4.640 -0.009 0.000 0.258 30 D C -0.423 175.827 176.300 -0.084 0.000 1.092 30 D CA -0.735 53.099 54.000 -0.277 0.000 1.016 30 D CB 0.574 41.224 40.800 -0.251 0.000 1.141 30 D HN 0.677 nan 8.370 nan 0.000 0.552 31 E N -0.331 119.842 120.200 -0.044 0.000 2.324 31 E HA 0.353 4.698 4.350 -0.009 0.000 0.271 31 E C 0.506 177.137 176.600 0.052 0.000 1.028 31 E CA -0.151 56.261 56.400 0.020 0.000 0.890 31 E CB 0.815 30.532 29.700 0.028 0.000 1.004 31 E HN 0.491 nan 8.360 nan 0.000 0.431 32 R N 1.938 122.495 120.500 0.094 0.000 1.981 32 R HA -0.124 4.211 4.340 -0.009 0.000 0.361 32 R C 0.865 177.338 176.300 0.288 0.000 0.220 32 R CA 0.808 57.011 56.100 0.172 0.000 1.427 32 R CB -1.353 29.059 30.300 0.186 0.000 1.802 32 R HN 1.063 nan 8.270 nan 0.000 0.195 33 G N -0.228 108.699 108.800 0.212 0.000 2.175 33 G HA2 -0.221 3.734 3.960 -0.009 0.000 0.244 33 G HA3 -0.221 3.734 3.960 -0.009 0.000 0.244 33 G C 0.373 175.415 174.900 0.237 0.000 0.982 33 G CA 0.658 45.913 45.100 0.258 0.000 0.641 33 G HN 0.755 nan 8.290 nan 0.000 0.527 34 G N -0.102 108.756 108.800 0.096 0.000 2.441 34 G HA2 0.586 4.541 3.960 -0.009 0.000 0.243 34 G HA3 0.586 4.541 3.960 -0.009 0.000 0.243 34 G C 0.933 175.936 174.900 0.172 0.000 1.281 34 G CA 0.324 45.356 45.100 -0.113 0.000 0.854 34 G HN 1.180 nan 8.290 nan 0.000 0.560 35 I N -0.105 120.485 120.570 0.034 0.000 4.530 35 I HA 0.539 4.704 4.170 -0.009 0.000 0.318 35 I C 0.914 176.882 176.117 -0.248 0.000 1.257 35 I CA 0.187 61.523 61.300 0.060 0.000 1.301 35 I CB 0.395 38.428 38.000 0.054 0.000 1.297 35 I HN 0.652 nan 8.210 nan 0.000 0.451 36 G N 0.994 109.655 108.800 -0.232 0.000 2.682 36 G HA2 0.490 4.445 3.960 -0.009 0.000 0.290 36 G HA3 0.490 4.445 3.960 -0.009 0.000 0.290 36 G C -1.558 173.213 174.900 -0.216 0.000 1.425 36 G CA 0.171 45.112 45.100 -0.265 0.000 0.807 36 G HN 0.165 nan 8.290 nan 0.000 0.482 37 D N -1.912 118.380 120.400 -0.181 0.000 2.501 37 D HA 0.380 5.015 4.640 -0.009 0.000 0.226 37 D C 1.433 177.688 176.300 -0.076 0.000 1.198 37 D CA 0.543 54.470 54.000 -0.121 0.000 0.830 37 D CB 0.308 41.040 40.800 -0.112 0.000 1.014 37 D HN 1.503 nan 8.370 nan 0.000 0.496 38 G N 0.769 109.528 108.800 -0.068 0.000 2.336 38 G HA2 -0.389 3.566 3.960 -0.009 0.000 0.233 38 G HA3 -0.389 3.566 3.960 -0.009 0.000 0.233 38 G C 1.426 176.300 174.900 -0.043 0.000 1.053 38 G CA 0.232 45.310 45.100 -0.036 0.000 0.625 38 G HN 0.387 nan 8.290 nan 0.000 0.511 39 R N -0.251 120.210 120.500 -0.064 0.000 2.276 39 R HA 0.641 4.976 4.340 -0.009 0.000 0.195 39 R C 1.210 177.454 176.300 -0.093 0.000 0.908 39 R CA 1.210 57.272 56.100 -0.064 0.000 1.083 39 R CB 0.667 30.935 30.300 -0.053 0.000 1.182 39 R HN 0.455 nan 8.270 nan 0.000 0.608 40 S N -1.090 114.531 115.700 -0.132 0.000 3.070 40 S HA 0.505 4.970 4.470 -0.009 0.000 0.320 40 S C -1.443 172.993 174.600 -0.274 0.000 1.215 40 S CA -0.843 57.249 58.200 -0.179 0.000 0.956 40 S CB 0.344 63.448 63.200 -0.161 0.000 1.337 40 S HN 0.129 nan 8.310 nan 0.000 0.639 41 I N 1.147 121.508 120.570 -0.348 0.000 2.325 41 I HA 0.478 4.642 4.170 -0.009 0.000 0.291 41 I C -2.178 173.617 176.117 -0.537 0.000 1.019 41 I CA -1.812 59.141 61.300 -0.578 0.000 1.302 41 I CB 1.105 38.731 38.000 -0.624 0.000 1.401 41 I HN 0.336 nan 8.210 nan 0.000 0.485 42 P HA 0.021 nan 4.420 nan 0.000 0.225 42 P C -0.700 176.523 177.300 -0.128 0.000 1.156 42 P CA 0.748 63.670 63.100 -0.297 0.000 0.787 42 P CB -0.043 31.539 31.700 -0.197 0.000 0.802 43 W N -0.585 120.675 121.300 -0.067 0.000 2.570 43 W HA 0.492 5.146 4.660 -0.009 0.000 0.337 43 W C -0.458 176.021 176.519 -0.067 0.000 1.067 43 W CA -1.278 56.032 57.345 -0.059 0.000 1.229 43 W CB 0.065 29.492 29.460 -0.056 0.000 1.355 43 W HN -0.319 nan 8.180 nan 0.000 0.555 44 N N 2.582 121.400 118.700 0.195 0.000 2.678 44 N HA 0.363 5.098 4.740 -0.009 0.000 0.231 44 N C -1.649 173.948 175.510 0.145 0.000 1.038 44 N CA -0.143 52.968 53.050 0.101 0.000 0.932 44 N CB 0.623 39.134 38.487 0.039 0.000 1.176 44 N HN 0.388 nan 8.380 nan 0.000 0.511 45 V N 3.742 123.776 119.914 0.200 0.000 2.709 45 V HA 0.670 4.785 4.120 -0.009 0.000 0.308 45 V C -2.269 173.861 176.094 0.060 0.000 1.062 45 V CA -1.069 61.312 62.300 0.134 0.000 0.901 45 V CB 1.967 33.879 31.823 0.150 0.000 1.003 45 V HN 0.545 nan 8.190 nan 0.000 0.425 46 P HA 0.663 nan 4.420 nan 0.000 0.307 46 P C -0.189 177.077 177.300 -0.056 0.000 1.120 46 P CA -0.365 62.724 63.100 -0.018 0.000 1.065 46 P CB 2.204 33.898 31.700 -0.011 0.000 1.435 47 E N -0.490 119.687 120.200 -0.038 0.000 4.459 47 E HA -0.196 4.148 4.350 -0.009 0.000 0.312 47 E C 0.988 177.554 176.600 -0.057 0.000 0.670 47 E CA 1.871 58.231 56.400 -0.065 0.000 1.781 47 E CB -1.528 28.075 29.700 -0.163 0.000 1.823 47 E HN 0.719 nan 8.360 nan 0.000 0.453 48 D N 0.362 120.727 120.400 -0.058 0.000 2.091 48 D HA -0.126 4.509 4.640 -0.009 0.000 0.199 48 D C 1.939 178.319 176.300 0.133 0.000 0.980 48 D CA 2.152 56.194 54.000 0.070 0.000 0.831 48 D CB -0.364 40.462 40.800 0.042 0.000 0.987 48 D HN 0.144 nan 8.370 nan 0.000 0.460 49 M N 1.087 120.732 119.600 0.075 0.000 3.517 49 M HA -0.276 4.199 4.480 -0.009 0.000 0.280 49 M C 2.191 178.554 176.300 0.105 0.000 1.031 49 M CA 1.783 57.140 55.300 0.095 0.000 1.045 49 M CB -1.775 30.845 32.600 0.034 0.000 1.233 49 M HN 0.225 nan 8.290 nan 0.000 0.585 50 K N -1.001 119.440 120.400 0.067 0.000 2.304 50 K HA -0.236 4.079 4.320 -0.009 0.000 0.204 50 K C 1.975 178.587 176.600 0.020 0.000 1.044 50 K CA 1.650 57.962 56.287 0.041 0.000 0.932 50 K CB -0.276 32.256 32.500 0.054 0.000 0.735 50 K HN 0.310 nan 8.250 nan 0.000 0.468 51 F N -0.086 119.781 119.950 -0.137 0.000 2.147 51 F HA -0.060 4.462 4.527 -0.008 0.000 0.291 51 F C 1.850 177.504 175.800 -0.245 0.000 1.093 51 F CA 0.719 58.542 58.000 -0.296 0.000 1.263 51 F CB -0.544 38.084 39.000 -0.621 0.000 1.036 51 F HN -0.012 nan 8.300 nan 0.000 0.481 52 F N 1.379 121.206 119.950 -0.205 0.000 2.307 52 F HA -0.153 4.369 4.527 -0.008 0.000 0.301 52 F C 2.448 178.045 175.800 -0.337 0.000 1.076 52 F CA 1.857 59.691 58.000 -0.277 0.000 1.383 52 F CB -0.391 38.548 39.000 -0.102 0.000 1.055 52 F HN -0.008 nan 8.300 nan 0.000 0.526 53 R N 0.026 120.363 120.500 -0.273 0.000 2.064 53 R HA -0.066 4.269 4.340 -0.009 0.000 0.221 53 R C 1.979 178.044 176.300 -0.392 0.000 1.136 53 R CA 1.456 57.370 56.100 -0.309 0.000 0.980 53 R CB -0.542 29.689 30.300 -0.116 0.000 0.876 53 R HN 0.086 nan 8.270 nan 0.000 0.437 54 D N 0.292 120.481 120.400 -0.351 0.000 2.182 54 D HA -0.157 4.478 4.640 -0.009 0.000 0.201 54 D C 1.732 177.743 176.300 -0.481 0.000 0.986 54 D CA 1.088 54.886 54.000 -0.337 0.000 0.847 54 D CB 0.004 40.657 40.800 -0.246 0.000 0.942 54 D HN 0.144 nan 8.370 nan 0.000 0.467 55 V N 0.799 120.253 119.914 -0.766 0.000 2.649 55 V HA -0.130 3.985 4.120 -0.009 0.000 0.248 55 V C 2.369 177.880 176.094 -0.971 0.000 1.054 55 V CA 2.168 63.912 62.300 -0.927 0.000 1.073 55 V CB -0.216 30.754 31.823 -1.422 0.000 0.699 55 V HN 0.333 nan 8.190 nan 0.000 0.463 56 T N -4.217 109.735 114.554 -1.002 0.000 3.054 56 T HA -0.060 4.285 4.350 -0.009 0.000 0.259 56 T C 1.632 176.055 174.700 -0.461 0.000 1.092 56 T CA 1.402 62.913 62.100 -0.983 0.000 1.121 56 T CB -0.148 68.164 68.868 -0.927 0.000 0.912 56 T HN 0.454 nan 8.240 nan 0.000 0.489 57 T N 0.931 115.266 114.554 -0.365 0.000 2.837 57 T HA 0.198 4.543 4.350 -0.009 0.000 0.248 57 T C 0.874 175.492 174.700 -0.138 0.000 1.033 57 T CA 0.189 62.167 62.100 -0.203 0.000 1.150 57 T CB -0.104 68.661 68.868 -0.173 0.000 0.865 57 T HN 0.365 nan 8.240 nan 0.000 0.425 58 K N 1.279 121.587 120.400 -0.153 0.000 2.494 58 K HA 0.168 4.483 4.320 -0.009 0.000 0.273 58 K C -0.813 175.752 176.600 -0.059 0.000 0.970 58 K CA 0.265 56.494 56.287 -0.098 0.000 0.963 58 K CB 0.109 32.545 32.500 -0.107 0.000 0.913 58 K HN 0.188 nan 8.250 nan 0.000 0.502 59 L N 3.828 125.031 121.223 -0.034 0.000 2.354 59 L HA 0.390 4.725 4.340 -0.009 0.000 0.269 59 L C 1.049 177.911 176.870 -0.014 0.000 1.005 59 L CA -1.054 53.779 54.840 -0.012 0.000 0.819 59 L CB 1.729 43.784 42.059 -0.007 0.000 1.311 59 L HN 0.695 nan 8.230 nan 0.000 0.423 60 R N 1.689 122.183 120.500 -0.010 0.000 2.566 60 R HA -0.156 4.179 4.340 -0.009 0.000 0.236 60 R C 0.775 177.063 176.300 -0.021 0.000 1.244 60 R CA 0.751 56.837 56.100 -0.022 0.000 1.259 60 R CB -1.205 29.077 30.300 -0.029 0.000 0.750 60 R HN 0.933 nan 8.270 nan 0.000 0.515 61 G N 0.690 109.480 108.800 -0.017 0.000 2.939 61 G HA2 -0.313 3.641 3.960 -0.009 0.000 0.278 61 G HA3 -0.313 3.641 3.960 -0.009 0.000 0.278 61 G C 0.085 174.980 174.900 -0.009 0.000 1.487 61 G CA 0.249 45.341 45.100 -0.014 0.000 0.935 61 G HN 0.215 nan 8.290 nan 0.000 0.553 62 K N -0.785 119.612 120.400 -0.005 0.000 2.977 62 K HA -0.109 4.206 4.320 -0.009 0.000 0.221 62 K C 0.209 176.808 176.600 -0.001 0.000 1.358 62 K CA 1.044 57.330 56.287 -0.001 0.000 0.710 62 K CB -1.711 30.788 32.500 -0.001 0.000 2.272 62 K HN 2.140 nan 8.250 nan 0.000 0.564 63 N N -1.121 117.577 118.700 -0.004 0.000 4.189 63 N HA -0.147 4.588 4.740 -0.009 0.000 0.314 63 N C 0.136 175.642 175.510 -0.007 0.000 2.217 63 N CA 0.843 53.890 53.050 -0.004 0.000 2.805 63 N CB -0.323 38.163 38.487 -0.001 0.000 0.341 63 N HN 0.212 nan 8.380 nan 0.000 0.596 64 V N 2.465 122.372 119.914 -0.011 0.000 3.950 64 V HA 0.545 4.660 4.120 -0.009 0.000 0.265 64 V C 0.889 176.978 176.094 -0.009 0.000 0.909 64 V CA 1.554 63.846 62.300 -0.014 0.000 0.910 64 V CB 0.442 32.251 31.823 -0.023 0.000 1.213 64 V HN 0.961 nan 8.190 nan 0.000 0.409 65 K N -1.961 118.433 120.400 -0.010 0.000 2.359 65 K HA 0.127 4.442 4.320 -0.009 0.000 0.172 65 K C -2.957 173.641 176.600 -0.004 0.000 1.788 65 K CA -0.480 55.804 56.287 -0.005 0.000 0.612 65 K CB -1.768 30.731 32.500 -0.001 0.000 1.379 65 K HN 0.491 nan 8.250 nan 0.000 0.329 66 P HA -0.056 nan 4.420 nan 0.000 0.248 66 P C -0.518 176.783 177.300 0.003 0.000 1.550 66 P CA 0.683 63.780 63.100 -0.005 0.000 1.252 66 P CB -0.026 31.666 31.700 -0.013 0.000 1.869 67 S N 1.811 117.514 115.700 0.006 0.000 2.607 67 S HA 0.573 5.037 4.470 -0.009 0.000 0.303 67 S C -1.987 172.621 174.600 0.013 0.000 1.086 67 S CA -1.959 56.246 58.200 0.008 0.000 0.995 67 S CB 1.631 64.834 63.200 0.005 0.000 1.084 67 S HN -0.073 nan 8.310 nan 0.000 0.507 68 P HA -0.032 nan 4.420 nan 0.000 0.218 68 P C 1.319 178.624 177.300 0.009 0.000 1.146 68 P CA 1.641 64.749 63.100 0.013 0.000 0.813 68 P CB -0.154 31.549 31.700 0.006 0.000 0.778 69 A N -1.556 121.268 122.820 0.006 0.000 1.970 69 A HA -0.039 4.276 4.320 -0.009 0.000 0.216 69 A C 1.196 178.787 177.584 0.011 0.000 1.170 69 A CA 1.116 53.155 52.037 0.004 0.000 0.645 69 A CB -0.435 18.567 19.000 0.002 0.000 0.816 69 A HN 0.111 nan 8.150 nan 0.000 0.447 70 K N -0.375 120.034 120.400 0.015 0.000 2.656 70 K HA 0.402 4.717 4.320 -0.009 0.000 0.253 70 K C -1.176 175.436 176.600 0.020 0.000 1.002 70 K CA -0.478 55.820 56.287 0.018 0.000 0.880 70 K CB 1.061 33.569 32.500 0.013 0.000 1.232 70 K HN 0.614 nan 8.250 nan 0.000 0.456 71 R N 1.148 121.666 120.500 0.030 0.000 2.716 71 R HA 0.440 4.775 4.340 -0.009 0.000 0.271 71 R C -1.050 175.278 176.300 0.047 0.000 1.028 71 R CA -1.129 54.990 56.100 0.031 0.000 0.883 71 R CB 0.568 30.887 30.300 0.030 0.000 1.250 71 R HN 0.236 nan 8.270 nan 0.000 0.465 72 N N -0.324 118.410 118.700 0.056 0.000 2.413 72 N HA 0.599 5.334 4.740 -0.009 0.000 0.266 72 N C -0.847 174.718 175.510 0.091 0.000 1.238 72 N CA -0.139 52.971 53.050 0.099 0.000 0.972 72 N CB 1.486 40.094 38.487 0.201 0.000 1.210 72 N HN 0.702 nan 8.380 nan 0.000 0.547 73 A N -0.324 122.563 122.820 0.112 0.000 2.413 73 A HA 0.667 4.982 4.320 -0.009 0.000 0.307 73 A C -0.721 176.935 177.584 0.120 0.000 1.087 73 A CA -0.675 51.408 52.037 0.078 0.000 0.750 73 A CB 1.062 20.074 19.000 0.020 0.000 1.296 73 A HN 0.396 nan 8.150 nan 0.000 0.423 74 V N -0.759 119.202 119.914 0.078 0.000 2.604 74 V HA 0.850 4.964 4.120 -0.009 0.000 0.305 74 V C -0.768 175.357 176.094 0.052 0.000 1.043 74 V CA -0.740 61.616 62.300 0.093 0.000 0.888 74 V CB 1.201 33.070 31.823 0.077 0.000 0.995 74 V HN 0.697 nan 8.190 nan 0.000 0.429 75 V N 6.494 126.435 119.914 0.045 0.000 2.407 75 V HA 0.644 4.759 4.120 -0.009 0.000 0.291 75 V C 0.014 176.098 176.094 -0.016 0.000 1.018 75 V CA -0.321 61.968 62.300 -0.018 0.000 0.842 75 V CB 1.439 33.213 31.823 -0.082 0.000 0.996 75 V HN 1.097 nan 8.190 nan 0.000 0.426 76 M N 3.257 122.850 119.600 -0.012 0.000 2.591 76 M HA 0.880 5.354 4.480 -0.009 0.000 0.306 76 M C 0.187 176.469 176.300 -0.029 0.000 1.190 76 M CA -0.500 54.795 55.300 -0.009 0.000 0.889 76 M CB 2.202 34.855 32.600 0.087 0.000 1.728 76 M HN 0.579 nan 8.290 nan 0.000 0.458 77 G N 1.059 109.831 108.800 -0.046 0.000 2.569 77 G HA2 0.221 4.175 3.960 -0.009 0.000 0.249 77 G HA3 0.221 4.175 3.960 -0.009 0.000 0.249 77 G C 0.395 175.308 174.900 0.022 0.000 1.216 77 G CA -0.557 44.523 45.100 -0.032 0.000 0.845 77 G HN 0.998 nan 8.290 nan 0.000 0.568 78 R N 0.301 120.809 120.500 0.013 0.000 2.091 78 R HA -0.104 4.231 4.340 -0.009 0.000 0.238 78 R C 2.218 178.584 176.300 0.112 0.000 1.136 78 R CA 1.699 57.827 56.100 0.046 0.000 0.959 78 R CB -0.178 30.130 30.300 0.013 0.000 0.856 78 R HN 0.589 nan 8.270 nan 0.000 0.437 79 K N -0.943 119.495 120.400 0.064 0.000 2.155 79 K HA -0.023 4.292 4.320 -0.009 0.000 0.203 79 K C 1.968 178.596 176.600 0.047 0.000 1.052 79 K CA 1.579 57.897 56.287 0.051 0.000 0.948 79 K CB 0.020 32.530 32.500 0.016 0.000 0.728 79 K HN 0.196 nan 8.250 nan 0.000 0.448 80 T N 0.995 115.575 114.554 0.044 0.000 2.759 80 T HA -0.201 4.144 4.350 -0.009 0.000 0.269 80 T C 1.212 175.958 174.700 0.075 0.000 1.042 80 T CA 1.001 63.115 62.100 0.024 0.000 1.140 80 T CB -0.251 68.620 68.868 0.005 0.000 0.864 80 T HN 0.475 nan 8.240 nan 0.000 0.455 81 W N 2.332 123.609 121.300 -0.037 0.000 2.374 81 W HA -0.149 4.506 4.660 -0.009 0.000 0.288 81 W C 0.986 177.499 176.519 -0.010 0.000 1.218 81 W CA 1.238 58.573 57.345 -0.017 0.000 1.245 81 W CB -0.173 29.280 29.460 -0.011 0.000 1.126 81 W HN 0.280 nan 8.180 nan 0.000 0.545 82 D N 0.011 120.438 120.400 0.045 0.000 2.123 82 D HA -0.184 4.451 4.640 -0.009 0.000 0.200 82 D C 2.428 178.661 176.300 -0.111 0.000 0.976 82 D CA 2.235 56.208 54.000 -0.045 0.000 0.831 82 D CB -0.841 39.976 40.800 0.029 0.000 0.974 82 D HN 0.137 nan 8.370 nan 0.000 0.469 83 S N 0.068 115.709 115.700 -0.099 0.000 2.528 83 S HA -0.119 4.346 4.470 -0.009 0.000 0.244 83 S C 0.883 175.382 174.600 -0.170 0.000 0.982 83 S CA 0.224 58.347 58.200 -0.129 0.000 0.953 83 S CB -0.708 62.410 63.200 -0.136 0.000 0.754 83 S HN 0.190 nan 8.310 nan 0.000 0.529 84 I N 2.717 123.158 120.570 -0.215 0.000 2.307 84 I HA 0.384 4.549 4.170 -0.009 0.000 0.287 84 I C -2.524 173.485 176.117 -0.180 0.000 1.054 84 I CA -2.700 58.461 61.300 -0.231 0.000 1.218 84 I CB 1.099 38.890 38.000 -0.348 0.000 1.398 84 I HN -0.056 nan 8.210 nan 0.000 0.475 85 P HA 0.012 nan 4.420 nan 0.000 0.268 85 P C -1.730 175.549 177.300 -0.035 0.000 1.208 85 P CA -0.871 62.253 63.100 0.040 0.000 0.777 85 P CB -0.002 31.811 31.700 0.189 0.000 0.875 86 P HA -0.266 nan 4.420 nan 0.000 0.215 86 P C 1.230 178.439 177.300 -0.152 0.000 1.163 86 P CA 2.278 65.305 63.100 -0.122 0.000 0.894 86 P CB -0.256 31.395 31.700 -0.082 0.000 0.791 87 K N -0.734 119.520 120.400 -0.244 0.000 2.113 87 K HA -0.161 4.154 4.320 -0.009 0.000 0.208 87 K C 1.989 178.380 176.600 -0.348 0.000 1.047 87 K CA 1.562 57.636 56.287 -0.354 0.000 0.928 87 K CB -1.239 30.939 32.500 -0.536 0.000 0.716 87 K HN 0.118 nan 8.250 nan 0.000 0.446 88 F N 1.772 121.658 119.950 -0.106 0.000 2.259 88 F HA 0.067 4.589 4.527 -0.009 0.000 0.298 88 F C 1.106 176.840 175.800 -0.110 0.000 1.088 88 F CA 0.235 58.174 58.000 -0.101 0.000 1.358 88 F CB -0.315 38.616 39.000 -0.116 0.000 1.040 88 F HN -0.188 nan 8.300 nan 0.000 0.505 89 R N 1.221 121.709 120.500 -0.020 0.000 2.643 89 R HA 0.211 4.546 4.340 -0.009 0.000 0.270 89 R C -2.275 174.048 176.300 0.038 0.000 1.061 89 R CA -1.423 54.627 56.100 -0.085 0.000 1.107 89 R CB -0.499 29.603 30.300 -0.330 0.000 0.999 89 R HN -0.032 nan 8.270 nan 0.000 0.460 90 P HA 0.194 nan 4.420 nan 0.000 0.284 90 P C -1.034 176.336 177.300 0.117 0.000 1.287 90 P CA -0.877 62.328 63.100 0.175 0.000 0.824 90 P CB 0.509 32.359 31.700 0.250 0.000 1.180 91 L N 1.696 122.994 121.223 0.126 0.000 2.562 91 L HA 0.166 4.501 4.340 -0.009 0.000 0.271 91 L C -1.974 174.927 176.870 0.052 0.000 1.167 91 L CA -0.664 54.224 54.840 0.082 0.000 0.917 91 L CB -1.188 40.911 42.059 0.067 0.000 1.187 91 L HN 0.232 nan 8.230 nan 0.000 0.482 92 P HA 0.294 nan 4.420 nan 0.000 0.271 92 P C 0.840 178.142 177.300 0.003 0.000 1.380 92 P CA 0.256 63.371 63.100 0.026 0.000 0.992 92 P CB 0.709 32.424 31.700 0.025 0.000 1.230 93 G N 2.661 111.464 108.800 0.006 0.000 2.738 93 G HA2 -0.105 3.850 3.960 -0.009 0.000 0.195 93 G HA3 -0.105 3.850 3.960 -0.009 0.000 0.195 93 G C -0.147 174.750 174.900 -0.004 0.000 1.001 93 G CA -0.608 44.487 45.100 -0.009 0.000 0.759 93 G HN 0.542 nan 8.290 nan 0.000 0.494 94 R N 0.503 121.006 120.500 0.006 0.000 2.744 94 R HA 0.671 5.006 4.340 -0.009 0.000 0.279 94 R C -0.647 175.681 176.300 0.045 0.000 0.977 94 R CA -1.125 54.986 56.100 0.019 0.000 0.906 94 R CB 1.919 32.216 30.300 -0.006 0.000 1.197 94 R HN 0.230 nan 8.270 nan 0.000 0.463 95 L N 2.974 124.228 121.223 0.053 0.000 2.500 95 L HA 0.142 4.477 4.340 -0.009 0.000 0.272 95 L C -0.438 176.460 176.870 0.046 0.000 1.149 95 L CA 0.396 55.270 54.840 0.057 0.000 0.897 95 L CB 0.001 42.102 42.059 0.070 0.000 1.178 95 L HN 0.645 nan 8.230 nan 0.000 0.473 96 N N 4.678 123.414 118.700 0.059 0.000 2.430 96 N HA 0.227 4.962 4.740 -0.009 0.000 0.265 96 N C -0.860 174.628 175.510 -0.038 0.000 1.100 96 N CA -0.413 52.678 53.050 0.068 0.000 0.961 96 N CB 1.824 40.422 38.487 0.185 0.000 1.075 96 N HN 0.365 nan 8.380 nan 0.000 0.478 97 V N 3.172 123.054 119.914 -0.054 0.000 2.409 97 V HA 0.348 4.463 4.120 -0.009 0.000 0.291 97 V C 0.082 176.089 176.094 -0.144 0.000 1.020 97 V CA -0.745 61.480 62.300 -0.125 0.000 0.848 97 V CB 1.744 33.489 31.823 -0.130 0.000 0.990 97 V HN 0.282 nan 8.190 nan 0.000 0.430 98 V N 6.121 125.896 119.914 -0.231 0.000 2.495 98 V HA 0.492 4.607 4.120 -0.009 0.000 0.298 98 V C -0.248 175.736 176.094 -0.183 0.000 1.031 98 V CA -0.623 61.535 62.300 -0.237 0.000 0.871 98 V CB 1.876 33.414 31.823 -0.476 0.000 0.988 98 V HN 0.674 nan 8.190 nan 0.000 0.432 99 L N 3.857 125.005 121.223 -0.126 0.000 2.264 99 L HA 0.754 5.089 4.340 -0.009 0.000 0.289 99 L C 0.168 176.988 176.870 -0.083 0.000 1.044 99 L CA 0.225 55.004 54.840 -0.101 0.000 0.807 99 L CB 1.271 43.279 42.059 -0.086 0.000 1.192 99 L HN 0.697 nan 8.230 nan 0.000 0.425 100 S N 0.876 116.529 115.700 -0.079 0.000 2.535 100 S HA 0.409 4.874 4.470 -0.009 0.000 0.272 100 S C 0.130 174.701 174.600 -0.049 0.000 1.149 100 S CA -0.456 57.707 58.200 -0.060 0.000 0.888 100 S CB 2.065 65.221 63.200 -0.073 0.000 1.110 100 S HN 0.558 nan 8.310 nan 0.000 0.463 101 S N 1.323 117.003 115.700 -0.034 0.000 2.506 101 S HA 0.013 4.478 4.470 -0.009 0.000 0.230 101 S C 1.955 176.541 174.600 -0.024 0.000 1.066 101 S CA 1.013 59.197 58.200 -0.027 0.000 0.940 101 S CB -0.200 62.988 63.200 -0.020 0.000 0.818 101 S HN 0.928 nan 8.310 nan 0.000 0.518 102 T N 1.088 115.630 114.554 -0.021 0.000 2.904 102 T HA 0.181 4.525 4.350 -0.009 0.000 0.267 102 T C 0.597 175.285 174.700 -0.021 0.000 1.059 102 T CA 0.631 62.719 62.100 -0.020 0.000 1.137 102 T CB -0.390 68.469 68.868 -0.015 0.000 0.879 102 T HN 0.135 nan 8.240 nan 0.000 0.467 103 L N 2.251 123.460 121.223 -0.024 0.000 2.325 103 L HA 0.552 4.887 4.340 -0.009 0.000 0.278 103 L C 0.379 177.230 176.870 -0.032 0.000 1.023 103 L CA -0.981 53.846 54.840 -0.021 0.000 0.811 103 L CB 1.918 43.958 42.059 -0.031 0.000 1.249 103 L HN 0.215 nan 8.230 nan 0.000 0.431 104 T N -2.999 111.550 114.554 -0.008 0.000 2.950 104 T HA 0.255 4.600 4.350 -0.009 0.000 0.288 104 T C 1.025 175.702 174.700 -0.037 0.000 1.035 104 T CA -0.576 61.513 62.100 -0.019 0.000 1.028 104 T CB 1.563 70.437 68.868 0.009 0.000 1.109 104 T HN 0.570 nan 8.240 nan 0.000 0.514 105 T N 0.681 115.201 114.554 -0.057 0.000 2.685 105 T HA -0.223 4.122 4.350 -0.009 0.000 0.268 105 T C 1.878 176.547 174.700 -0.052 0.000 1.034 105 T CA 2.020 64.076 62.100 -0.074 0.000 1.149 105 T CB -0.452 68.381 68.868 -0.058 0.000 0.860 105 T HN 0.719 nan 8.240 nan 0.000 0.449 106 Q N 1.384 121.164 119.800 -0.032 0.000 1.917 106 Q HA -0.141 4.194 4.340 -0.009 0.000 0.205 106 Q C 1.199 177.162 176.000 -0.063 0.000 0.988 106 Q CA 1.619 57.391 55.803 -0.052 0.000 0.851 106 Q CB -0.795 27.913 28.738 -0.050 0.000 0.916 106 Q HN 0.537 nan 8.270 nan 0.000 0.424 107 H N 0.455 119.516 119.070 -0.015 0.000 3.268 107 H HA 0.155 4.706 4.556 -0.008 0.000 0.213 107 H C 0.350 175.677 175.328 -0.001 0.000 1.858 107 H CA 0.449 56.496 56.048 -0.003 0.000 1.386 107 H CB -0.316 29.445 29.762 -0.002 0.000 1.734 107 H HN 0.302 nan 8.280 nan 0.000 0.612 108 L N 0.384 121.653 121.223 0.076 0.000 2.186 108 L HA 0.039 4.374 4.340 -0.009 0.000 0.182 108 L C -0.121 176.816 176.870 0.112 0.000 1.190 108 L CA -0.056 54.820 54.840 0.060 0.000 1.051 108 L CB 0.271 42.278 42.059 -0.085 0.000 2.162 108 L HN 0.116 nan 8.230 nan 0.000 0.494 109 L N 1.885 123.142 121.223 0.056 0.000 2.388 109 L HA 0.245 4.580 4.340 -0.009 0.000 0.252 109 L C -0.020 176.887 176.870 0.063 0.000 1.357 109 L CA -0.702 54.190 54.840 0.085 0.000 1.214 109 L CB -2.009 40.076 42.059 0.043 0.000 1.392 109 L HN 0.156 nan 8.230 nan 0.000 0.432 121 H N 1.302 120.379 119.070 0.012 0.000 2.872 121 H HA 0.908 5.459 4.556 -0.009 0.000 0.273 121 H C 0.969 176.310 175.328 0.020 0.000 1.205 121 H CA 0.619 56.674 56.048 0.012 0.000 1.342 121 H CB 0.831 30.598 29.762 0.008 0.000 1.469 121 H HN 2.072 nan 8.280 nan 0.000 0.487 122 A N 1.399 124.234 122.820 0.025 0.000 1.836 122 A HA -0.027 4.288 4.320 -0.009 0.000 0.212 122 A C 1.748 179.351 177.584 0.032 0.000 1.243 122 A CA 1.245 53.304 52.037 0.037 0.000 0.620 122 A CB -0.570 18.453 19.000 0.039 0.000 0.889 122 A HN 0.968 nan 8.150 nan 0.000 0.463 123 D N -1.916 118.499 120.400 0.024 0.000 3.059 123 D HA -0.141 4.494 4.640 -0.009 0.000 0.222 123 D C 0.260 176.581 176.300 0.034 0.000 1.185 123 D CA 1.220 55.233 54.000 0.021 0.000 0.904 123 D CB -0.934 39.874 40.800 0.013 0.000 1.122 123 D HN 0.296 nan 8.370 nan 0.000 0.410 124 S N -0.646 115.080 115.700 0.043 0.000 3.009 124 S HA 0.316 4.781 4.470 -0.009 0.000 0.254 124 S C 0.257 174.892 174.600 0.058 0.000 1.004 124 S CA -0.414 57.819 58.200 0.056 0.000 1.119 124 S CB 0.986 64.221 63.200 0.059 0.000 1.075 124 S HN 0.489 nan 8.310 nan 0.000 0.618 125 I N -1.121 119.469 120.570 0.034 0.000 2.692 125 I HA 0.769 4.934 4.170 -0.009 0.000 0.293 125 I C -1.973 174.115 176.117 -0.050 0.000 1.200 125 I CA -0.773 60.517 61.300 -0.016 0.000 1.036 125 I CB 1.947 39.929 38.000 -0.030 0.000 1.258 125 I HN -0.171 nan 8.210 nan 0.000 0.421 126 V N 5.846 125.704 119.914 -0.093 0.000 2.686 126 V HA 0.807 4.922 4.120 -0.009 0.000 0.306 126 V C 0.243 176.241 176.094 -0.160 0.000 1.065 126 V CA -0.347 61.899 62.300 -0.090 0.000 0.894 126 V CB 1.650 33.449 31.823 -0.039 0.000 1.004 126 V HN 0.978 nan 8.190 nan 0.000 0.424 127 A N 3.927 126.656 122.820 -0.152 0.000 2.304 127 A HA 0.872 5.187 4.320 -0.009 0.000 0.301 127 A C -0.676 176.834 177.584 -0.124 0.000 1.132 127 A CA -0.481 51.454 52.037 -0.169 0.000 0.819 127 A CB 1.278 20.182 19.000 -0.160 0.000 1.094 127 A HN 0.785 nan 8.150 nan 0.000 0.492 128 V N 2.631 122.469 119.914 -0.126 0.000 2.483 128 V HA 0.230 4.345 4.120 -0.009 0.000 0.297 128 V C -0.104 175.939 176.094 -0.085 0.000 1.027 128 V CA -0.834 61.405 62.300 -0.102 0.000 0.855 128 V CB 1.728 33.480 31.823 -0.118 0.000 0.995 128 V HN 0.889 nan 8.190 nan 0.000 0.424 129 N N 3.859 122.520 118.700 -0.065 0.000 3.050 129 N HA 0.481 5.216 4.740 -0.009 0.000 0.289 129 N C 0.169 175.650 175.510 -0.049 0.000 1.209 129 N CA 0.880 53.899 53.050 -0.052 0.000 1.154 129 N CB 0.465 38.929 38.487 -0.039 0.000 1.444 129 N HN 1.011 nan 8.380 nan 0.000 0.529 130 G N -1.267 107.500 108.800 -0.056 0.000 2.348 130 G HA2 0.437 4.391 3.960 -0.009 0.000 0.296 130 G HA3 0.437 4.391 3.960 -0.009 0.000 0.296 130 G C -0.384 174.480 174.900 -0.060 0.000 1.258 130 G CA -0.200 44.869 45.100 -0.052 0.000 0.868 130 G HN 0.398 nan 8.290 nan 0.000 0.488 131 G N -1.391 107.373 108.800 -0.060 0.000 2.606 131 G HA2 0.549 4.504 3.960 -0.009 0.000 0.262 131 G HA3 0.549 4.504 3.960 -0.009 0.000 0.262 131 G C 0.980 175.821 174.900 -0.098 0.000 1.394 131 G CA 0.216 45.276 45.100 -0.067 0.000 1.044 131 G HN 1.055 nan 8.290 nan 0.000 0.553 132 L N -0.322 120.833 121.223 -0.113 0.000 2.083 132 L HA 0.006 4.341 4.340 -0.009 0.000 0.209 132 L C 2.580 179.331 176.870 -0.199 0.000 1.083 132 L CA 2.533 57.265 54.840 -0.180 0.000 0.752 132 L CB -0.595 41.342 42.059 -0.202 0.000 0.899 132 L HN 0.828 nan 8.230 nan 0.000 0.433 133 E N -1.080 119.038 120.200 -0.137 0.000 2.058 133 E HA -0.319 4.026 4.350 -0.009 0.000 0.194 133 E C 2.108 178.642 176.600 -0.110 0.000 0.997 133 E CA 1.570 57.903 56.400 -0.112 0.000 0.801 133 E CB -0.019 29.645 29.700 -0.060 0.000 0.746 133 E HN 0.541 nan 8.360 nan 0.000 0.450 134 Q N 0.138 119.880 119.800 -0.096 0.000 2.084 134 Q HA -0.079 4.256 4.340 -0.009 0.000 0.202 134 Q C 1.960 177.890 176.000 -0.118 0.000 0.978 134 Q CA 1.750 57.499 55.803 -0.090 0.000 0.844 134 Q CB -0.448 28.245 28.738 -0.075 0.000 0.898 134 Q HN 0.409 nan 8.270 nan 0.000 0.426 135 A N 0.206 122.939 122.820 -0.145 0.000 1.902 135 A HA -0.158 4.157 4.320 -0.009 0.000 0.217 135 A C 2.038 179.504 177.584 -0.197 0.000 1.181 135 A CA 1.270 53.199 52.037 -0.179 0.000 0.623 135 A CB -0.770 18.118 19.000 -0.187 0.000 0.818 135 A HN 0.366 nan 8.150 nan 0.000 0.443 136 L N -1.046 120.054 121.223 -0.205 0.000 2.131 136 L HA -0.243 4.092 4.340 -0.009 0.000 0.210 136 L C 2.851 179.640 176.870 -0.134 0.000 1.092 136 L CA 1.397 56.121 54.840 -0.194 0.000 0.759 136 L CB -0.531 41.388 42.059 -0.232 0.000 0.903 136 L HN 0.505 nan 8.230 nan 0.000 0.435 137 Q N -0.332 119.399 119.800 -0.115 0.000 2.016 137 Q HA -0.235 4.100 4.340 -0.009 0.000 0.200 137 Q C 2.271 178.228 176.000 -0.071 0.000 0.978 137 Q CA 1.403 57.159 55.803 -0.079 0.000 0.833 137 Q CB -0.207 28.493 28.738 -0.062 0.000 0.895 137 Q HN 0.311 nan 8.270 nan 0.000 0.427 138 L N 0.349 121.509 121.223 -0.105 0.000 2.079 138 L HA -0.185 4.150 4.340 -0.009 0.000 0.210 138 L C 1.842 178.608 176.870 -0.174 0.000 1.081 138 L CA 1.526 56.293 54.840 -0.122 0.000 0.752 138 L CB -0.124 41.814 42.059 -0.201 0.000 0.896 138 L HN 0.205 nan 8.230 nan 0.000 0.433 139 L N -1.254 119.835 121.223 -0.224 0.000 2.395 139 L HA -0.018 4.317 4.340 -0.009 0.000 0.218 139 L C 2.341 179.202 176.870 -0.015 0.000 1.130 139 L CA 0.737 55.458 54.840 -0.199 0.000 0.826 139 L CB -0.537 41.402 42.059 -0.199 0.000 0.941 139 L HN 0.291 nan 8.230 nan 0.000 0.451 140 A N -0.671 122.141 122.820 -0.013 0.000 2.178 140 A HA 0.039 4.354 4.320 -0.009 0.000 0.211 140 A C 1.414 179.030 177.584 0.053 0.000 1.157 140 A CA 0.430 52.477 52.037 0.017 0.000 0.780 140 A CB -0.305 18.685 19.000 -0.017 0.000 0.828 140 A HN 0.395 nan 8.150 nan 0.000 0.476 141 S N 0.263 116.015 115.700 0.085 0.000 2.584 141 S HA 0.205 4.670 4.470 -0.009 0.000 0.270 141 S C -1.151 173.518 174.600 0.115 0.000 1.346 141 S CA -0.416 57.847 58.200 0.106 0.000 1.018 141 S CB 0.587 63.867 63.200 0.134 0.000 0.899 141 S HN 0.215 nan 8.310 nan 0.000 0.542 142 P HA -0.089 nan 4.420 nan 0.000 0.219 142 P C 0.587 177.883 177.300 -0.006 0.000 1.146 142 P CA 1.121 64.240 63.100 0.032 0.000 0.808 142 P CB -0.240 31.472 31.700 0.020 0.000 0.779 143 N N -1.556 117.120 118.700 -0.040 0.000 2.520 143 N HA -0.103 4.632 4.740 -0.009 0.000 0.185 143 N C 1.039 176.301 175.510 -0.413 0.000 1.068 143 N CA 0.971 53.879 53.050 -0.236 0.000 0.911 143 N CB -0.448 37.837 38.487 -0.337 0.000 0.961 143 N HN 0.320 nan 8.380 nan 0.000 0.446 144 Y N -1.802 118.495 120.300 -0.005 0.000 2.585 144 Y HA 0.108 4.653 4.550 -0.009 0.000 0.272 144 Y C 2.310 178.209 175.900 -0.002 0.000 1.119 144 Y CA 0.574 58.671 58.100 -0.006 0.000 1.255 144 Y CB -0.329 38.124 38.460 -0.011 0.000 1.284 144 Y HN 0.046 nan 8.280 nan 0.000 0.499 145 T N -1.805 112.830 114.554 0.135 0.000 2.788 145 T HA -0.085 4.260 4.350 -0.009 0.000 0.268 145 T C -0.434 174.298 174.700 0.052 0.000 1.044 145 T CA 0.954 63.103 62.100 0.081 0.000 1.139 145 T CB -1.543 67.360 68.868 0.058 0.000 0.867 145 T HN 0.082 nan 8.240 nan 0.000 0.454 146 P HA -0.137 nan 4.420 nan 0.000 0.215 146 P C 2.166 179.482 177.300 0.026 0.000 1.163 146 P CA 2.009 65.121 63.100 0.020 0.000 0.894 146 P CB -0.254 31.445 31.700 -0.001 0.000 0.791 147 S N -1.850 113.869 115.700 0.032 0.000 2.412 147 S HA 0.038 4.503 4.470 -0.009 0.000 0.223 147 S C 1.033 175.670 174.600 0.062 0.000 1.048 147 S CA 0.122 58.345 58.200 0.038 0.000 0.954 147 S CB -0.695 62.520 63.200 0.024 0.000 0.840 147 S HN -0.143 nan 8.310 nan 0.000 0.503 148 I N 3.330 123.958 120.570 0.098 0.000 2.406 148 I HA 0.293 4.457 4.170 -0.009 0.000 0.293 148 I C 1.374 177.523 176.117 0.055 0.000 1.101 148 I CA 0.134 61.487 61.300 0.089 0.000 1.334 148 I CB 0.305 38.373 38.000 0.114 0.000 1.421 148 I HN 0.537 nan 8.210 nan 0.000 0.513 149 E N 4.353 124.577 120.200 0.040 0.000 2.021 149 E HA -0.023 4.322 4.350 -0.009 0.000 0.189 149 E C -0.187 176.413 176.600 -0.000 0.000 0.980 149 E CA 0.982 57.396 56.400 0.024 0.000 0.803 149 E CB 0.494 30.208 29.700 0.023 0.000 0.766 149 E HN 0.590 nan 8.360 nan 0.000 0.449 150 T N 1.046 115.592 114.554 -0.013 0.000 2.879 150 T HA 0.395 4.739 4.350 -0.009 0.000 0.290 150 T C -0.810 173.776 174.700 -0.189 0.000 0.993 150 T CA -0.687 61.336 62.100 -0.130 0.000 0.975 150 T CB 2.151 70.905 68.868 -0.190 0.000 0.981 150 T HN -0.120 nan 8.240 nan 0.000 0.439 151 V N 3.693 123.479 119.914 -0.213 0.000 2.509 151 V HA 0.440 4.555 4.120 -0.009 0.000 0.284 151 V C -1.044 174.891 176.094 -0.265 0.000 1.047 151 V CA -0.607 61.621 62.300 -0.120 0.000 0.952 151 V CB 0.364 32.179 31.823 -0.013 0.000 0.988 151 V HN 0.801 nan 8.190 nan 0.000 0.469 152 Y N 2.252 122.608 120.300 0.094 0.000 2.361 152 Y HA 0.398 4.942 4.550 -0.009 0.000 0.337 152 Y C 0.186 176.172 175.900 0.143 0.000 0.965 152 Y CA -0.549 57.623 58.100 0.120 0.000 1.091 152 Y CB 1.754 40.208 38.460 -0.010 0.000 1.182 152 Y HN 0.642 nan 8.280 nan 0.000 0.450 153 C N 7.308 126.846 119.300 0.396 0.000 2.192 153 C HA 0.298 4.753 4.460 -0.009 0.000 0.337 153 C C 1.582 176.718 174.990 0.243 0.000 1.103 153 C CA -0.593 58.592 59.018 0.278 0.000 1.581 153 C CB -2.078 25.911 27.740 0.415 0.000 2.070 153 C HN 0.877 nan 8.230 nan 0.000 0.485 154 I N 3.675 124.344 120.570 0.165 0.000 3.265 154 I HA 0.352 4.517 4.170 -0.009 0.000 0.282 154 I C 0.718 176.865 176.117 0.050 0.000 1.207 154 I CA 0.759 62.203 61.300 0.240 0.000 1.449 154 I CB -0.674 37.568 38.000 0.403 0.000 1.121 154 I HN 0.624 nan 8.210 nan 0.000 0.442 155 G N 0.433 109.129 108.800 -0.173 0.000 2.687 155 G HA2 0.591 4.546 3.960 -0.009 0.000 0.301 155 G HA3 0.591 4.546 3.960 -0.009 0.000 0.301 155 G C -0.456 174.198 174.900 -0.409 0.000 1.416 155 G CA -0.212 44.737 45.100 -0.250 0.000 1.005 155 G HN 0.762 nan 8.290 nan 0.000 0.509 156 G N -0.287 108.260 108.800 -0.422 0.000 3.239 156 G HA2 0.418 4.373 3.960 -0.009 0.000 0.666 156 G HA3 0.418 4.373 3.960 -0.009 0.000 0.666 156 G C 0.887 175.713 174.900 -0.123 0.000 1.313 156 G CA 0.018 44.983 45.100 -0.225 0.000 1.001 156 G HN 1.539 nan 8.290 nan 0.000 0.573 157 G N 1.344 110.209 108.800 0.107 0.000 2.476 157 G HA2 -0.022 3.933 3.960 -0.009 0.000 0.218 157 G HA3 -0.022 3.933 3.960 -0.009 0.000 0.218 157 G C 2.329 177.349 174.900 0.200 0.000 1.164 157 G CA 2.268 47.518 45.100 0.250 0.000 0.768 157 G HN 2.087 nan 8.290 nan 0.000 0.560 158 S N -0.037 115.722 115.700 0.100 0.000 2.423 158 S HA -0.017 4.447 4.470 -0.009 0.000 0.231 158 S C 2.201 176.836 174.600 0.059 0.000 1.014 158 S CA 1.340 59.587 58.200 0.078 0.000 0.965 158 S CB -0.127 63.098 63.200 0.042 0.000 0.785 158 S HN 0.140 nan 8.310 nan 0.000 0.495 159 V N 0.159 120.073 119.914 0.000 0.000 2.446 159 V HA -0.009 4.106 4.120 -0.009 0.000 0.244 159 V C 2.229 178.341 176.094 0.030 0.000 1.039 159 V CA 1.144 63.412 62.300 -0.053 0.000 1.045 159 V CB -1.105 30.615 31.823 -0.171 0.000 0.681 159 V HN 0.378 nan 8.190 nan 0.000 0.459 160 Y N 1.333 121.712 120.300 0.131 0.000 2.128 160 Y HA -0.193 4.352 4.550 -0.009 0.000 0.284 160 Y C 2.652 178.696 175.900 0.241 0.000 1.154 160 Y CA 1.120 59.354 58.100 0.223 0.000 1.149 160 Y CB -1.316 37.302 38.460 0.262 0.000 0.976 160 Y HN 0.179 nan 8.280 nan 0.000 0.505 161 A N 0.051 123.078 122.820 0.345 0.000 1.903 161 A HA -0.341 3.974 4.320 -0.009 0.000 0.219 161 A C 2.236 179.921 177.584 0.169 0.000 1.191 161 A CA 2.249 54.418 52.037 0.221 0.000 0.638 161 A CB -0.898 18.199 19.000 0.162 0.000 0.823 161 A HN 0.571 nan 8.150 nan 0.000 0.451 162 E N -0.400 119.885 120.200 0.141 0.000 2.106 162 E HA -0.042 4.303 4.350 -0.009 0.000 0.192 162 E C 2.028 178.718 176.600 0.149 0.000 0.984 162 E CA 0.979 57.441 56.400 0.103 0.000 0.806 162 E CB -0.290 29.438 29.700 0.046 0.000 0.750 162 E HN 0.536 nan 8.360 nan 0.000 0.458 163 A N 0.599 123.559 122.820 0.233 0.000 2.019 163 A HA -0.078 4.237 4.320 -0.009 0.000 0.219 163 A C 1.636 179.428 177.584 0.346 0.000 1.164 163 A CA 0.785 53.052 52.037 0.384 0.000 0.644 163 A CB -0.042 19.279 19.000 0.535 0.000 0.805 163 A HN 0.308 nan 8.150 nan 0.000 0.449 164 L N -0.116 121.258 121.223 0.252 0.000 2.872 164 L HA 0.250 4.585 4.340 -0.009 0.000 0.245 164 L C 0.383 177.318 176.870 0.109 0.000 1.211 164 L CA 0.406 55.350 54.840 0.174 0.000 1.013 164 L CB -1.148 40.978 42.059 0.111 0.000 1.326 164 L HN 0.581 nan 8.230 nan 0.000 0.525 165 R N -1.446 119.111 120.500 0.095 0.000 2.698 165 R HA 0.634 4.969 4.340 -0.009 0.000 0.275 165 R C -2.939 173.367 176.300 0.011 0.000 1.001 165 R CA -1.957 54.169 56.100 0.043 0.000 0.896 165 R CB 0.619 30.951 30.300 0.053 0.000 1.218 165 R HN -0.248 nan 8.270 nan 0.000 0.462 166 P HA 0.007 nan 4.420 nan 0.000 0.265 166 P C -1.797 175.531 177.300 0.047 0.000 1.187 166 P CA -0.695 62.396 63.100 -0.016 0.000 0.766 166 P CB 0.323 32.060 31.700 0.063 0.000 0.820 167 P HA 0.134 nan 4.420 nan 0.000 0.261 167 P C 0.519 177.887 177.300 0.113 0.000 1.268 167 P CA 0.314 63.488 63.100 0.123 0.000 0.833 167 P CB -0.048 31.722 31.700 0.117 0.000 1.231 168 C N -0.468 118.885 119.300 0.089 0.000 2.446 168 C HA -0.073 4.381 4.460 -0.009 0.000 0.277 168 C C 2.710 177.878 174.990 0.295 0.000 1.275 168 C CA 0.710 59.830 59.018 0.169 0.000 1.727 168 C CB -1.431 26.385 27.740 0.127 0.000 2.010 168 C HN 0.130 nan 8.230 nan 0.000 0.486 169 V N 0.631 120.622 119.914 0.129 0.000 2.688 169 V HA -0.197 3.918 4.120 -0.009 0.000 0.256 169 V C 2.229 178.364 176.094 0.069 0.000 1.084 169 V CA 1.955 64.319 62.300 0.108 0.000 1.103 169 V CB -0.792 31.037 31.823 0.010 0.000 0.688 169 V HN 0.627 nan 8.190 nan 0.000 0.480 170 H N -1.029 118.159 119.070 0.196 0.000 2.547 170 H HA 0.135 4.686 4.556 -0.009 0.000 0.272 170 H C 1.664 177.101 175.328 0.182 0.000 0.989 170 H CA 0.685 56.823 56.048 0.150 0.000 1.214 170 H CB 0.328 30.175 29.762 0.142 0.000 1.389 170 H HN 0.329 nan 8.280 nan 0.000 0.577 171 L N 0.286 121.708 121.223 0.331 0.000 2.590 171 L HA 0.080 4.415 4.340 -0.009 0.000 0.227 171 L C 0.583 177.529 176.870 0.127 0.000 1.099 171 L CA -0.037 55.002 54.840 0.331 0.000 0.872 171 L CB -0.546 41.765 42.059 0.421 0.000 1.088 171 L HN 0.104 nan 8.230 nan 0.000 0.479 172 L N 0.720 121.892 121.223 -0.085 0.000 2.530 172 L HA -0.003 4.332 4.340 -0.009 0.000 0.273 172 L C 1.355 178.148 176.870 -0.129 0.000 1.141 172 L CA 0.867 55.420 54.840 -0.478 0.000 0.905 172 L CB 0.612 42.537 42.059 -0.222 0.000 1.202 172 L HN 0.206 nan 8.230 nan 0.000 0.473 173 Q N 3.704 123.407 119.800 -0.161 0.000 2.250 173 Q HA 0.383 4.718 4.340 -0.009 0.000 0.200 173 Q C -0.064 175.949 176.000 0.022 0.000 0.941 173 Q CA 0.767 56.544 55.803 -0.043 0.000 0.872 173 Q CB 0.425 29.143 28.738 -0.034 0.000 0.965 173 Q HN 0.817 nan 8.270 nan 0.000 0.480 174 A N 0.261 123.103 122.820 0.036 0.000 2.604 174 A HA 0.625 4.940 4.320 -0.009 0.000 0.295 174 A C -1.673 175.909 177.584 -0.004 0.000 1.067 174 A CA -0.659 51.393 52.037 0.025 0.000 0.683 174 A CB 1.202 20.130 19.000 -0.120 0.000 1.281 174 A HN 0.152 nan 8.150 nan 0.000 0.407 175 I N 1.297 121.811 120.570 -0.093 0.000 2.418 175 I HA 0.348 4.513 4.170 -0.009 0.000 0.287 175 I C -1.515 174.516 176.117 -0.143 0.000 1.008 175 I CA -0.369 60.885 61.300 -0.076 0.000 1.104 175 I CB 1.642 39.538 38.000 -0.173 0.000 1.264 175 I HN 0.634 nan 8.210 nan 0.000 0.438 176 Y N 5.717 126.111 120.300 0.158 0.000 2.385 176 Y HA 0.475 5.019 4.550 -0.009 0.000 0.341 176 Y C 0.274 176.290 175.900 0.194 0.000 0.965 176 Y CA -0.468 57.770 58.100 0.231 0.000 1.180 176 Y CB 1.001 39.640 38.460 0.299 0.000 1.139 176 Y HN 0.420 nan 8.280 nan 0.000 0.502 177 R N 2.202 122.847 120.500 0.242 0.000 2.360 177 R HA 0.472 4.807 4.340 -0.009 0.000 0.318 177 R C -1.101 175.248 176.300 0.081 0.000 0.950 177 R CA -0.379 55.799 56.100 0.130 0.000 0.837 177 R CB 0.954 31.299 30.300 0.074 0.000 1.165 177 R HN 0.579 nan 8.270 nan 0.000 0.458 178 T N 2.943 117.538 114.554 0.068 0.000 2.837 178 T HA 0.256 4.601 4.350 -0.009 0.000 0.285 178 T C -0.347 174.230 174.700 -0.206 0.000 0.984 178 T CA -0.151 61.956 62.100 0.010 0.000 1.049 178 T CB 1.536 70.489 68.868 0.142 0.000 0.947 178 T HN 0.455 nan 8.240 nan 0.000 0.472 179 T N 3.961 118.231 114.554 -0.474 0.000 2.795 179 T HA 0.378 4.722 4.350 -0.009 0.000 0.282 179 T C 0.953 175.398 174.700 -0.425 0.000 0.980 179 T CA -0.593 61.170 62.100 -0.561 0.000 1.012 179 T CB 1.444 69.662 68.868 -1.084 0.000 0.936 179 T HN 0.368 nan 8.240 nan 0.000 0.457 180 I N 2.218 122.512 120.570 -0.461 0.000 4.809 180 I HA 0.346 4.511 4.170 -0.009 0.000 0.209 180 I C 1.405 177.337 176.117 -0.308 0.000 0.969 180 I CA 1.067 62.050 61.300 -0.528 0.000 1.498 180 I CB 0.123 37.489 38.000 -1.058 0.000 1.359 180 I HN 0.633 nan 8.210 nan 0.000 0.433 181 R N -1.785 118.537 120.500 -0.298 0.000 1.684 181 R HA 0.036 4.371 4.340 -0.009 0.000 0.012 181 R C 1.321 177.549 176.300 -0.119 0.000 0.954 181 R CA 1.095 57.107 56.100 -0.147 0.000 1.998 181 R CB -1.791 28.456 30.300 -0.088 0.000 0.295 181 R HN 0.423 nan 8.270 nan 0.000 0.718 182 A N 1.434 124.204 122.820 -0.083 0.000 2.001 182 A HA -0.327 3.987 4.320 -0.009 0.000 0.254 182 A C 0.775 178.345 177.584 -0.024 0.000 2.383 182 A CA 3.315 55.327 52.037 -0.041 0.000 0.767 182 A CB -1.012 17.973 19.000 -0.025 0.000 0.818 182 A HN 1.457 nan 8.150 nan 0.000 0.594 183 S N -0.589 115.083 115.700 -0.047 0.000 3.984 183 S HA -0.131 4.334 4.470 -0.009 0.000 0.510 183 S C 0.284 174.907 174.600 0.037 0.000 0.814 183 S CA 0.906 59.101 58.200 -0.009 0.000 1.277 183 S CB -0.487 62.709 63.200 -0.007 0.000 1.820 183 S HN 1.366 nan 8.310 nan 0.000 0.521 184 E N 2.990 123.236 120.200 0.077 0.000 2.790 184 E HA 0.538 4.883 4.350 -0.009 0.000 0.256 184 E C 0.866 177.513 176.600 0.077 0.000 1.246 184 E CA -0.079 56.368 56.400 0.078 0.000 1.041 184 E CB 0.740 30.497 29.700 0.095 0.000 1.272 184 E HN 0.382 nan 8.360 nan 0.000 0.603 185 S N -0.795 114.946 115.700 0.069 0.000 2.599 185 S HA -0.025 4.440 4.470 -0.009 0.000 0.236 185 S C 1.147 175.789 174.600 0.071 0.000 1.077 185 S CA 0.404 58.653 58.200 0.082 0.000 0.906 185 S CB -0.143 63.103 63.200 0.077 0.000 0.804 185 S HN 0.499 nan 8.310 nan 0.000 0.497 186 S N 1.904 117.632 115.700 0.046 0.000 3.800 186 S HA 0.105 4.570 4.470 -0.009 0.000 0.174 186 S C -0.345 174.240 174.600 -0.024 0.000 1.061 186 S CA -0.133 58.081 58.200 0.023 0.000 0.993 186 S CB -1.862 61.345 63.200 0.013 0.000 1.535 186 S HN 0.515 nan 8.310 nan 0.000 0.457 187 C N 2.399 121.664 119.300 -0.058 0.000 2.345 187 C HA 0.538 4.993 4.460 -0.009 0.000 0.323 187 C C 1.399 176.294 174.990 -0.159 0.000 1.276 187 C CA -0.779 58.096 59.018 -0.239 0.000 1.543 187 C CB 1.114 28.530 27.740 -0.539 0.000 2.211 187 C HN 0.783 nan 8.230 nan 0.000 0.493 188 S N 0.693 116.351 115.700 -0.069 0.000 2.539 188 S HA 0.264 4.729 4.470 -0.009 0.000 0.221 188 S C -0.106 174.599 174.600 0.175 0.000 0.987 188 S CA -0.143 58.143 58.200 0.144 0.000 0.929 188 S CB -0.129 63.129 63.200 0.096 0.000 0.832 188 S HN 0.530 nan 8.310 nan 0.000 0.492 189 V N 1.975 121.852 119.914 -0.062 0.000 2.577 189 V HA 0.648 4.763 4.120 -0.009 0.000 0.303 189 V C -1.175 174.834 176.094 -0.140 0.000 1.042 189 V CA -0.750 61.580 62.300 0.051 0.000 0.872 189 V CB 1.145 32.987 31.823 0.032 0.000 0.998 189 V HN 0.321 nan 8.190 nan 0.000 0.423 190 F N 3.416 123.438 119.950 0.120 0.000 2.631 190 F HA 0.817 5.339 4.527 -0.009 0.000 0.328 190 F C -0.659 175.265 175.800 0.207 0.000 1.067 190 F CA -1.125 56.957 58.000 0.137 0.000 0.969 190 F CB 2.113 41.163 39.000 0.084 0.000 1.332 190 F HN 0.448 nan 8.300 nan 0.000 0.490 191 F N 1.201 121.261 119.950 0.182 0.000 2.605 191 F HA 0.677 5.199 4.527 -0.009 0.000 0.320 191 F C -1.311 174.494 175.800 0.009 0.000 1.159 191 F CA -0.573 57.447 58.000 0.033 0.000 0.999 191 F CB 1.383 40.305 39.000 -0.130 0.000 1.258 191 F HN 0.427 nan 8.300 nan 0.000 0.464 192 R N 4.309 124.360 120.500 -0.748 0.000 2.564 192 R HA 0.627 4.962 4.340 -0.009 0.000 0.284 192 R C -1.663 174.165 176.300 -0.786 0.000 1.031 192 R CA -0.954 54.789 56.100 -0.594 0.000 0.904 192 R CB 2.444 32.596 30.300 -0.247 0.000 1.199 192 R HN 0.468 nan 8.270 nan 0.000 0.443 193 V N 5.062 124.600 119.914 -0.627 0.000 2.439 193 V HA 0.184 4.299 4.120 -0.009 0.000 0.271 193 V C -1.896 174.008 176.094 -0.316 0.000 1.040 193 V CA -1.403 60.569 62.300 -0.546 0.000 1.002 193 V CB 0.628 32.166 31.823 -0.475 0.000 1.000 193 V HN 0.654 nan 8.190 nan 0.000 0.477 194 P HA 0.132 nan 4.420 nan 0.000 0.263 194 P C 0.088 177.420 177.300 0.054 0.000 1.195 194 P CA 0.009 63.081 63.100 -0.048 0.000 0.762 194 P CB 0.431 32.159 31.700 0.047 0.000 0.799 195 E N 0.839 121.061 120.200 0.037 0.000 2.404 195 E HA 0.100 4.445 4.350 -0.009 0.000 0.261 195 E C 0.266 176.926 176.600 0.100 0.000 1.074 195 E CA -0.118 56.321 56.400 0.065 0.000 0.917 195 E CB 0.400 30.118 29.700 0.030 0.000 0.965 195 E HN 0.297 nan 8.360 nan 0.000 0.433 196 S N 0.622 116.382 115.700 0.100 0.000 2.533 196 S HA 0.294 4.758 4.470 -0.009 0.000 0.282 196 S C 0.989 175.618 174.600 0.048 0.000 1.304 196 S CA 0.786 59.034 58.200 0.080 0.000 1.063 196 S CB 0.083 63.320 63.200 0.062 0.000 0.881 196 S HN 0.761 nan 8.310 nan 0.000 0.493 197 G N 3.102 111.926 108.800 0.040 0.000 2.217 197 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.246 197 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.246 197 G C 0.290 175.207 174.900 0.029 0.000 0.990 197 G CA 0.392 45.508 45.100 0.027 0.000 0.627 197 G HN 1.256 nan 8.290 nan 0.000 0.522 198 T N -1.679 112.897 114.554 0.037 0.000 2.849 198 T HA 0.613 4.958 4.350 -0.009 0.000 0.284 198 T C 1.129 175.851 174.700 0.036 0.000 1.004 198 T CA 0.486 62.605 62.100 0.031 0.000 1.021 198 T CB 1.753 70.637 68.868 0.027 0.000 1.013 198 T HN 0.237 nan 8.240 nan 0.000 0.527 199 E N 0.752 120.968 120.200 0.027 0.000 2.118 199 E HA -0.144 4.201 4.350 -0.009 0.000 0.195 199 E C 2.372 178.994 176.600 0.038 0.000 0.992 199 E CA 1.178 57.596 56.400 0.030 0.000 0.804 199 E CB -0.387 29.325 29.700 0.021 0.000 0.741 199 E HN 0.818 nan 8.360 nan 0.000 0.458 200 A N 1.143 123.982 122.820 0.033 0.000 2.067 200 A HA -0.006 4.309 4.320 -0.009 0.000 0.219 200 A C 2.246 179.870 177.584 0.067 0.000 1.158 200 A CA 1.301 53.358 52.037 0.034 0.000 0.661 200 A CB -0.280 18.724 19.000 0.007 0.000 0.801 200 A HN 0.265 nan 8.150 nan 0.000 0.452 201 A N -1.309 121.566 122.820 0.092 0.000 2.206 201 A HA 0.447 4.762 4.320 -0.009 0.000 0.211 201 A C 1.567 179.229 177.584 0.130 0.000 1.158 201 A CA 1.126 53.256 52.037 0.155 0.000 0.761 201 A CB -0.907 18.190 19.000 0.162 0.000 0.801 201 A HN 1.918 nan 8.150 nan 0.000 0.473 202 A N -2.169 120.709 122.820 0.097 0.000 2.748 202 A HA 0.102 4.417 4.320 -0.009 0.000 0.297 202 A C 1.978 179.637 177.584 0.125 0.000 1.508 202 A CA 1.553 53.653 52.037 0.106 0.000 0.799 202 A CB -1.909 17.151 19.000 0.100 0.000 1.011 202 A HN 2.495 nan 8.150 nan 0.000 0.500 203 G N -2.733 106.115 108.800 0.080 0.000 2.225 203 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.254 203 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.254 203 G C 0.227 175.133 174.900 0.009 0.000 0.988 203 G CA 0.355 45.485 45.100 0.049 0.000 0.625 203 G HN 1.400 nan 8.290 nan 0.000 0.527 204 I N 1.227 121.797 120.570 -0.001 0.000 2.581 204 I HA 0.395 4.560 4.170 -0.009 0.000 0.288 204 I C 0.364 176.368 176.117 -0.189 0.000 1.047 204 I CA -0.169 61.037 61.300 -0.157 0.000 1.374 204 I CB 1.024 38.862 38.000 -0.269 0.000 1.423 204 I HN 0.098 nan 8.210 nan 0.000 0.549 205 E N 4.998 125.030 120.200 -0.279 0.000 2.149 205 E HA 0.203 4.548 4.350 -0.009 0.000 0.255 205 E C -1.626 174.836 176.600 -0.230 0.000 0.888 205 E CA -0.496 55.804 56.400 -0.167 0.000 0.742 205 E CB 0.836 30.479 29.700 -0.096 0.000 1.164 205 E HN 0.372 nan 8.360 nan 0.000 0.422 206 W N 2.481 123.778 121.300 -0.006 0.000 2.266 206 W HA 0.165 4.820 4.660 -0.009 0.000 0.317 206 W C 0.622 177.137 176.519 -0.006 0.000 1.310 206 W CA -0.227 57.113 57.345 -0.009 0.000 1.207 206 W CB 0.687 30.140 29.460 -0.011 0.000 1.199 206 W HN 0.286 nan 8.180 nan 0.000 0.544 207 Q N 2.081 122.010 119.800 0.215 0.000 2.348 207 Q HA 0.391 4.726 4.340 -0.009 0.000 0.271 207 Q C -0.351 175.735 176.000 0.144 0.000 1.067 207 Q CA -1.412 54.471 55.803 0.133 0.000 0.839 207 Q CB 2.373 31.150 28.738 0.065 0.000 1.354 207 Q HN 0.367 nan 8.270 nan 0.000 0.447 208 R N 1.933 122.496 120.500 0.104 0.000 2.242 208 R HA 0.027 4.362 4.340 -0.009 0.000 0.334 208 R C 0.577 176.925 176.300 0.079 0.000 1.071 208 R CA 0.256 56.412 56.100 0.092 0.000 0.922 208 R CB 0.534 30.881 30.300 0.079 0.000 1.023 208 R HN 0.781 nan 8.270 nan 0.000 0.458 209 E N 2.288 122.536 120.200 0.081 0.000 2.140 209 E HA -0.018 4.327 4.350 -0.009 0.000 0.191 209 E C -0.471 176.180 176.600 0.085 0.000 0.973 209 E CA 1.003 57.449 56.400 0.077 0.000 0.829 209 E CB 0.494 30.237 29.700 0.072 0.000 0.781 209 E HN 0.741 nan 8.360 nan 0.000 0.466 210 T N -1.180 113.432 114.554 0.097 0.000 2.956 210 T HA 0.569 4.914 4.350 -0.009 0.000 0.312 210 T C -0.680 174.096 174.700 0.127 0.000 1.151 210 T CA -0.786 61.380 62.100 0.111 0.000 1.024 210 T CB 1.854 70.804 68.868 0.136 0.000 1.140 210 T HN 0.092 nan 8.240 nan 0.000 0.473 211 I N 2.416 123.054 120.570 0.114 0.000 2.545 211 I HA 0.569 4.733 4.170 -0.009 0.000 0.292 211 I C 0.510 176.695 176.117 0.114 0.000 1.040 211 I CA -0.600 60.778 61.300 0.131 0.000 1.068 211 I CB 2.169 40.227 38.000 0.096 0.000 1.251 211 I HN 1.072 nan 8.210 nan 0.000 0.424 212 S N 5.830 121.619 115.700 0.147 0.000 2.626 212 S HA 0.189 4.654 4.470 -0.009 0.000 0.257 212 S C 0.288 174.896 174.600 0.013 0.000 1.288 212 S CA -0.430 57.836 58.200 0.109 0.000 0.980 212 S CB 0.744 64.014 63.200 0.118 0.000 0.975 212 S HN 0.732 nan 8.310 nan 0.000 0.577 213 E N 0.495 120.686 120.200 -0.015 0.000 2.451 213 E HA 0.049 4.394 4.350 -0.009 0.000 0.256 213 E C -0.437 176.065 176.600 -0.162 0.000 1.294 213 E CA -0.125 56.228 56.400 -0.078 0.000 1.005 213 E CB 0.292 29.955 29.700 -0.062 0.000 0.990 213 E HN 0.720 nan 8.360 nan 0.000 0.505 214 E N 0.718 120.801 120.200 -0.195 0.000 2.158 214 E HA 0.512 4.857 4.350 -0.009 0.000 0.271 214 E C -1.444 174.969 176.600 -0.311 0.000 0.911 214 E CA -0.820 55.423 56.400 -0.263 0.000 0.767 214 E CB 0.698 30.264 29.700 -0.225 0.000 1.120 214 E HN 0.369 nan 8.360 nan 0.000 0.405 215 L N 2.728 123.647 121.223 -0.505 0.000 2.940 215 L HA 0.582 4.917 4.340 -0.009 0.000 0.270 215 L C -1.493 174.993 176.870 -0.640 0.000 1.030 215 L CA -0.374 54.184 54.840 -0.471 0.000 0.928 215 L CB 2.056 43.904 42.059 -0.351 0.000 1.506 215 L HN 0.594 nan 8.230 nan 0.000 0.405 216 T N 0.682 115.068 114.554 -0.281 0.000 2.807 216 T HA 0.701 5.046 4.350 -0.009 0.000 0.279 216 T C -0.790 173.958 174.700 0.080 0.000 0.993 216 T CA 0.135 62.209 62.100 -0.044 0.000 0.970 216 T CB 0.567 69.434 68.868 -0.002 0.000 0.950 216 T HN 0.898 nan 8.240 nan 0.000 0.441 217 S N 4.368 120.245 115.700 0.295 0.000 2.448 217 S HA 0.618 5.083 4.470 -0.009 0.000 0.320 217 S C 1.475 176.145 174.600 0.117 0.000 1.071 217 S CA 0.064 58.387 58.200 0.204 0.000 1.113 217 S CB 0.576 63.944 63.200 0.280 0.000 0.972 217 S HN 1.730 nan 8.310 nan 0.000 0.465 218 A N 4.705 127.569 122.820 0.072 0.000 1.290 218 A HA -0.508 3.807 4.320 -0.009 0.000 0.257 218 A C 1.407 179.016 177.584 0.043 0.000 1.522 218 A CA 3.219 55.285 52.037 0.048 0.000 1.094 218 A CB -3.042 15.984 19.000 0.043 0.000 1.470 218 A HN 2.248 nan 8.150 nan 0.000 0.723 219 N N -2.135 116.592 118.700 0.044 0.000 1.089 219 N HA -0.043 4.692 4.740 -0.009 0.000 0.121 219 N C 1.117 176.644 175.510 0.028 0.000 0.641 219 N CA 3.186 56.257 53.050 0.035 0.000 0.840 219 N CB -1.392 37.119 38.487 0.039 0.000 1.229 219 N HN 2.085 nan 8.380 nan 0.000 0.623 220 G N -3.203 105.614 108.800 0.027 0.000 2.801 220 G HA2 0.145 4.100 3.960 -0.009 0.000 0.191 220 G HA3 0.145 4.100 3.960 -0.009 0.000 0.191 220 G C 0.308 175.221 174.900 0.021 0.000 1.223 220 G CA 0.392 45.506 45.100 0.023 0.000 0.904 220 G HN 0.629 nan 8.290 nan 0.000 0.789 221 N N 0.987 119.701 118.700 0.023 0.000 2.232 221 N HA 0.152 4.887 4.740 -0.009 0.000 0.240 221 N C -0.082 175.436 175.510 0.013 0.000 1.307 221 N CA -0.226 52.835 53.050 0.019 0.000 0.859 221 N CB 0.483 38.984 38.487 0.023 0.000 1.260 221 N HN -0.018 nan 8.380 nan 0.000 0.501 222 E N -0.274 119.935 120.200 0.015 0.000 2.228 222 E HA -0.173 4.172 4.350 -0.009 0.000 0.213 222 E C -0.829 175.773 176.600 0.003 0.000 1.282 222 E CA 0.807 57.214 56.400 0.010 0.000 0.707 222 E CB -2.411 27.291 29.700 0.003 0.000 1.150 222 E HN 0.210 nan 8.360 nan 0.000 0.362 223 T N 1.256 115.816 114.554 0.009 0.000 2.744 223 T HA 0.352 4.697 4.350 -0.009 0.000 0.291 223 T C 0.552 175.256 174.700 0.007 0.000 0.957 223 T CA -0.702 61.393 62.100 -0.008 0.000 1.002 223 T CB 0.794 69.646 68.868 -0.026 0.000 0.919 223 T HN -0.028 nan 8.240 nan 0.000 0.468 224 K N 3.119 123.507 120.400 -0.021 0.000 2.298 224 K HA 0.442 4.757 4.320 -0.009 0.000 0.280 224 K C -0.368 176.224 176.600 -0.013 0.000 1.032 224 K CA -0.545 55.715 56.287 -0.045 0.000 0.958 224 K CB 0.324 32.781 32.500 -0.072 0.000 0.978 224 K HN 0.690 nan 8.250 nan 0.000 0.472 225 Y N 0.505 120.738 120.300 -0.112 0.000 2.605 225 Y HA 0.720 5.265 4.550 -0.009 0.000 0.343 225 Y C -1.186 174.619 175.900 -0.159 0.000 1.036 225 Y CA -1.678 56.302 58.100 -0.199 0.000 1.065 225 Y CB 1.183 39.465 38.460 -0.296 0.000 1.288 225 Y HN 0.641 nan 8.280 nan 0.000 0.481 226 Y N -0.502 119.683 120.300 -0.192 0.000 2.592 226 Y HA 0.773 5.317 4.550 -0.009 0.000 0.334 226 Y C -2.455 173.265 175.900 -0.300 0.000 1.136 226 Y CA -2.554 55.339 58.100 -0.345 0.000 1.042 226 Y CB 0.865 39.178 38.460 -0.243 0.000 1.325 226 Y HN 0.518 nan 8.280 nan 0.000 0.457 227 F N 1.274 121.254 119.950 0.051 0.000 2.470 227 F HA 0.707 5.229 4.527 -0.008 0.000 0.329 227 F C -0.132 175.690 175.800 0.036 0.000 1.072 227 F CA -1.193 56.723 58.000 -0.139 0.000 0.989 227 F CB 1.996 40.767 39.000 -0.381 0.000 1.193 227 F HN 0.668 nan 8.300 nan 0.000 0.481 228 E N 0.360 120.704 120.200 0.239 0.000 2.390 228 E HA 0.409 4.754 4.350 -0.009 0.000 0.277 228 E C -1.773 174.929 176.600 0.170 0.000 0.939 228 E CA -1.276 55.249 56.400 0.208 0.000 0.769 228 E CB 2.927 32.743 29.700 0.193 0.000 1.251 228 E HN 0.515 nan 8.360 nan 0.000 0.450 229 K N 3.090 123.560 120.400 0.116 0.000 2.307 229 K HA 0.388 4.703 4.320 -0.009 0.000 0.263 229 K C -1.204 175.391 176.600 -0.010 0.000 0.973 229 K CA -0.614 55.653 56.287 -0.033 0.000 0.846 229 K CB 0.895 33.362 32.500 -0.055 0.000 1.100 229 K HN 0.547 nan 8.250 nan 0.000 0.438 230 L N 6.843 128.048 121.223 -0.029 0.000 2.296 230 L HA 0.546 4.881 4.340 -0.009 0.000 0.286 230 L C 0.007 177.015 176.870 0.230 0.000 1.023 230 L CA -1.062 53.840 54.840 0.102 0.000 0.812 230 L CB 1.148 43.242 42.059 0.059 0.000 1.223 230 L HN 0.577 nan 8.230 nan 0.000 0.421 231 I N 1.006 121.748 120.570 0.287 0.000 2.646 231 I HA 0.676 4.840 4.170 -0.009 0.000 0.299 231 I C -2.591 173.557 176.117 0.052 0.000 1.036 231 I CA -2.523 58.904 61.300 0.211 0.000 1.074 231 I CB 2.145 40.179 38.000 0.056 0.000 1.258 231 I HN 0.274 nan 8.210 nan 0.000 0.430 232 P HA 0.187 nan 4.420 nan 0.000 0.274 232 P C -1.055 176.031 177.300 -0.356 0.000 1.231 232 P CA -0.392 62.250 63.100 -0.764 0.000 0.790 232 P CB 0.887 32.057 31.700 -0.884 0.000 0.951 233 R N 2.305 122.613 120.500 -0.320 0.000 2.234 233 R HA 0.148 4.483 4.340 -0.009 0.000 0.324 233 R C 0.448 176.633 176.300 -0.193 0.000 1.054 233 R CA -0.378 55.608 56.100 -0.190 0.000 0.912 233 R CB -0.028 30.186 30.300 -0.143 0.000 1.030 233 R HN 0.365 nan 8.270 nan 0.000 0.455 234 N N 4.243 122.836 118.700 -0.179 0.000 2.968 234 N HA 0.015 4.750 4.740 -0.009 0.000 0.271 234 N C 0.652 176.066 175.510 -0.160 0.000 1.174 234 N CA -0.023 52.890 53.050 -0.229 0.000 1.096 234 N CB 0.381 38.670 38.487 -0.330 0.000 1.403 234 N HN 0.491 nan 8.380 nan 0.000 0.522 235 R N 1.554 121.980 120.500 -0.124 0.000 2.113 235 R HA -0.170 4.165 4.340 -0.009 0.000 0.244 235 R C 1.138 177.407 176.300 -0.051 0.000 1.142 235 R CA 1.489 57.542 56.100 -0.079 0.000 0.953 235 R CB -0.115 30.140 30.300 -0.076 0.000 0.860 235 R HN 0.640 nan 8.270 nan 0.000 0.438 236 E N 0.109 120.287 120.200 -0.035 0.000 2.051 236 E HA -0.212 4.133 4.350 -0.009 0.000 0.192 236 E C 1.992 178.713 176.600 0.201 0.000 0.991 236 E CA 1.194 57.621 56.400 0.046 0.000 0.799 236 E CB -0.089 29.752 29.700 0.235 0.000 0.748 236 E HN 0.443 nan 8.360 nan 0.000 0.449 237 E N 1.016 121.322 120.200 0.177 0.000 2.106 237 E HA -0.200 4.144 4.350 -0.009 0.000 0.192 237 E C 1.790 178.520 176.600 0.216 0.000 0.984 237 E CA 0.901 57.462 56.400 0.269 0.000 0.806 237 E CB 0.142 29.910 29.700 0.113 0.000 0.750 237 E HN 0.225 nan 8.360 nan 0.000 0.458 238 E N 0.497 120.747 120.200 0.083 0.000 2.118 238 E HA -0.297 4.048 4.350 -0.009 0.000 0.195 238 E C 2.193 178.826 176.600 0.054 0.000 0.992 238 E CA 1.414 57.844 56.400 0.052 0.000 0.804 238 E CB -0.175 29.524 29.700 -0.002 0.000 0.741 238 E HN 0.419 nan 8.360 nan 0.000 0.458 239 Q N 0.523 120.352 119.800 0.049 0.000 2.096 239 Q HA -0.269 4.066 4.340 -0.009 0.000 0.204 239 Q C 2.162 178.200 176.000 0.064 0.000 0.982 239 Q CA 1.741 57.552 55.803 0.013 0.000 0.850 239 Q CB -0.420 28.284 28.738 -0.057 0.000 0.901 239 Q HN 0.454 nan 8.270 nan 0.000 0.422 240 Y N 1.079 121.408 120.300 0.049 0.000 2.163 240 Y HA -0.161 4.383 4.550 -0.009 0.000 0.288 240 Y C 1.918 177.840 175.900 0.036 0.000 1.136 240 Y CA 1.688 59.836 58.100 0.080 0.000 1.147 240 Y CB -0.282 38.295 38.460 0.196 0.000 0.987 240 Y HN 0.108 nan 8.280 nan 0.000 0.509 241 L N -0.515 120.722 121.223 0.023 0.000 2.083 241 L HA -0.234 4.101 4.340 -0.009 0.000 0.209 241 L C 2.576 179.360 176.870 -0.142 0.000 1.083 241 L CA 1.445 56.221 54.840 -0.107 0.000 0.752 241 L CB -0.780 41.306 42.059 0.045 0.000 0.899 241 L HN 0.183 nan 8.230 nan 0.000 0.433 242 S N 0.047 115.695 115.700 -0.086 0.000 2.370 242 S HA -0.187 4.278 4.470 -0.009 0.000 0.226 242 S C 1.851 176.381 174.600 -0.117 0.000 1.033 242 S CA 1.303 59.453 58.200 -0.084 0.000 1.011 242 S CB -0.330 62.835 63.200 -0.058 0.000 0.852 242 S HN 0.221 nan 8.310 nan 0.000 0.457 243 L N 2.082 123.213 121.223 -0.153 0.000 1.989 243 L HA -0.065 4.270 4.340 -0.009 0.000 0.211 243 L C 2.258 179.008 176.870 -0.201 0.000 1.071 243 L CA 1.654 56.393 54.840 -0.169 0.000 0.749 243 L CB -1.092 40.859 42.059 -0.179 0.000 0.890 243 L HN 0.153 nan 8.230 nan 0.000 0.431 244 V N -0.103 119.624 119.914 -0.313 0.000 2.282 244 V HA -0.363 3.752 4.120 -0.009 0.000 0.249 244 V C 2.387 178.389 176.094 -0.154 0.000 1.057 244 V CA 2.154 64.291 62.300 -0.270 0.000 1.032 244 V CB -0.910 30.694 31.823 -0.365 0.000 0.645 244 V HN 0.517 nan 8.190 nan 0.000 0.447 245 D N -0.456 119.864 120.400 -0.134 0.000 2.123 245 D HA -0.199 4.436 4.640 -0.009 0.000 0.196 245 D C 2.394 178.653 176.300 -0.068 0.000 0.992 245 D CA 1.384 55.334 54.000 -0.083 0.000 0.833 245 D CB -0.155 40.604 40.800 -0.070 0.000 0.954 245 D HN 0.242 nan 8.370 nan 0.000 0.455 246 R N -0.371 120.084 120.500 -0.075 0.000 2.096 246 R HA -0.050 4.285 4.340 -0.009 0.000 0.235 246 R C 2.397 178.666 176.300 -0.052 0.000 1.127 246 R CA 0.951 57.015 56.100 -0.059 0.000 0.968 246 R CB -0.205 30.058 30.300 -0.062 0.000 0.861 246 R HN 0.292 nan 8.270 nan 0.000 0.440 247 I N 0.414 120.946 120.570 -0.065 0.000 2.226 247 I HA -0.309 3.856 4.170 -0.009 0.000 0.245 247 I C 2.115 178.208 176.117 -0.040 0.000 1.100 247 I CA 1.335 62.604 61.300 -0.052 0.000 1.374 247 I CB -0.169 37.792 38.000 -0.065 0.000 1.057 247 I HN 0.194 nan 8.210 nan 0.000 0.413 248 I N 0.230 120.775 120.570 -0.042 0.000 2.315 248 I HA -0.246 3.919 4.170 -0.009 0.000 0.248 248 I C 2.491 178.594 176.117 -0.023 0.000 1.117 248 I CA 1.422 62.705 61.300 -0.028 0.000 1.404 248 I CB -0.358 37.627 38.000 -0.025 0.000 1.071 248 I HN 0.166 nan 8.210 nan 0.000 0.419 249 R N 0.155 120.639 120.500 -0.027 0.000 2.210 249 R HA 0.025 4.359 4.340 -0.009 0.000 0.203 249 R C 1.294 177.583 176.300 -0.018 0.000 1.010 249 R CA 0.714 56.802 56.100 -0.021 0.000 1.008 249 R CB 0.193 30.479 30.300 -0.023 0.000 0.923 249 R HN 0.396 nan 8.270 nan 0.000 0.469 250 E N -0.928 119.260 120.200 -0.020 0.000 2.603 250 E HA 0.113 4.457 4.350 -0.009 0.000 0.218 250 E C 0.325 176.918 176.600 -0.012 0.000 0.878 250 E CA -0.240 56.151 56.400 -0.015 0.000 1.348 250 E CB 1.109 30.799 29.700 -0.016 0.000 1.318 250 E HN 0.196 nan 8.360 nan 0.000 0.673 251 G N 1.151 109.942 108.800 -0.016 0.000 2.554 251 G HA2 0.085 4.040 3.960 -0.009 0.000 0.238 251 G HA3 0.085 4.040 3.960 -0.009 0.000 0.238 251 G C -0.292 174.599 174.900 -0.014 0.000 1.259 251 G CA -0.279 44.814 45.100 -0.012 0.000 0.843 251 G HN 0.030 nan 8.290 nan 0.000 0.582 252 N N -0.806 117.887 118.700 -0.012 0.000 2.518 252 N HA 0.330 5.065 4.740 -0.009 0.000 0.283 252 N C -0.052 175.436 175.510 -0.037 0.000 1.119 252 N CA -0.623 52.418 53.050 -0.017 0.000 0.983 252 N CB 1.919 40.400 38.487 -0.010 0.000 1.139 252 N HN 0.253 nan 8.380 nan 0.000 0.465 253 V N 2.139 122.031 119.914 -0.036 0.000 2.485 253 V HA 0.057 4.172 4.120 -0.009 0.000 0.287 253 V C 0.558 176.606 176.094 -0.076 0.000 1.022 253 V CA 0.456 62.712 62.300 -0.073 0.000 1.067 253 V CB -0.460 31.343 31.823 -0.033 0.000 0.967 253 V HN 0.601 nan 8.190 nan 0.000 0.479 254 K N 2.925 123.220 120.400 -0.175 0.000 2.378 254 K HA 0.683 4.998 4.320 -0.009 0.000 0.244 254 K C -1.383 175.010 176.600 -0.344 0.000 1.039 254 K CA -1.164 55.047 56.287 -0.126 0.000 0.863 254 K CB 2.155 34.591 32.500 -0.108 0.000 1.326 254 K HN 0.710 nan 8.250 nan 0.000 0.460 255 H N 0.408 119.448 119.070 -0.050 0.000 2.689 255 H HA 0.095 4.645 4.556 -0.009 0.000 0.346 255 H C -0.706 174.604 175.328 -0.030 0.000 1.037 255 H CA -0.834 55.198 56.048 -0.026 0.000 1.234 255 H CB 1.287 31.046 29.762 -0.005 0.000 1.572 255 H HN 0.604 nan 8.280 nan 0.000 0.524 256 D N 1.787 122.231 120.400 0.073 0.000 2.393 256 D HA -0.015 4.620 4.640 -0.009 0.000 0.246 256 D C 1.375 177.731 176.300 0.094 0.000 1.275 256 D CA -0.536 53.499 54.000 0.057 0.000 0.979 256 D CB 1.048 41.930 40.800 0.138 0.000 1.101 256 D HN 0.559 nan 8.370 nan 0.000 0.505 257 R N -1.079 119.472 120.500 0.086 0.000 2.103 257 R HA -0.190 4.145 4.340 -0.009 0.000 0.242 257 R C 2.251 178.599 176.300 0.081 0.000 1.142 257 R CA 2.597 58.746 56.100 0.083 0.000 0.960 257 R CB -0.585 29.773 30.300 0.097 0.000 0.858 257 R HN 0.773 nan 8.270 nan 0.000 0.439 258 T N -4.423 110.186 114.554 0.092 0.000 2.812 258 T HA 0.103 4.448 4.350 -0.009 0.000 0.264 258 T C 1.426 176.169 174.700 0.071 0.000 1.042 258 T CA 1.231 63.377 62.100 0.076 0.000 1.140 258 T CB 0.391 69.299 68.868 0.068 0.000 0.870 258 T HN 0.436 nan 8.240 nan 0.000 0.445 259 G N 0.061 108.922 108.800 0.101 0.000 2.613 259 G HA2 -0.003 3.952 3.960 -0.009 0.000 0.199 259 G HA3 -0.003 3.952 3.960 -0.009 0.000 0.199 259 G C -0.091 174.925 174.900 0.194 0.000 0.991 259 G CA -0.195 44.972 45.100 0.113 0.000 0.756 259 G HN 0.630 nan 8.290 nan 0.000 0.515 260 V N 1.868 121.888 119.914 0.176 0.000 2.614 260 V HA 0.577 4.692 4.120 -0.009 0.000 0.291 260 V C 1.431 177.634 176.094 0.181 0.000 1.049 260 V CA 0.239 62.649 62.300 0.184 0.000 1.038 260 V CB 1.221 33.128 31.823 0.139 0.000 0.980 260 V HN 0.588 nan 8.190 nan 0.000 0.481 261 G N 3.282 112.120 108.800 0.064 0.000 2.442 261 G HA2 0.509 4.464 3.960 -0.009 0.000 0.249 261 G HA3 0.509 4.464 3.960 -0.009 0.000 0.249 261 G C 0.122 174.920 174.900 -0.169 0.000 1.263 261 G CA 0.252 45.173 45.100 -0.299 0.000 0.846 261 G HN 0.930 nan 8.290 nan 0.000 0.555 262 T N -0.718 113.642 114.554 -0.323 0.000 2.916 262 T HA 0.696 5.041 4.350 -0.009 0.000 0.292 262 T C -0.344 174.233 174.700 -0.206 0.000 1.064 262 T CA -0.940 60.979 62.100 -0.302 0.000 1.011 262 T CB 1.590 70.186 68.868 -0.454 0.000 1.152 262 T HN 0.306 nan 8.240 nan 0.000 0.510 263 L N 2.310 123.457 121.223 -0.127 0.000 2.307 263 L HA 0.712 5.047 4.340 -0.009 0.000 0.284 263 L C 0.171 177.016 176.870 -0.042 0.000 1.023 263 L CA -0.728 54.066 54.840 -0.077 0.000 0.810 263 L CB 1.858 43.889 42.059 -0.048 0.000 1.231 263 L HN 1.016 nan 8.230 nan 0.000 0.423 264 S N 3.360 119.045 115.700 -0.026 0.000 2.549 264 S HA 0.820 5.285 4.470 -0.009 0.000 0.280 264 S C -0.813 173.806 174.600 0.030 0.000 1.109 264 S CA -0.780 57.431 58.200 0.019 0.000 0.905 264 S CB 2.062 65.283 63.200 0.034 0.000 1.081 264 S HN 0.467 nan 8.310 nan 0.000 0.477 265 I N -0.282 120.316 120.570 0.047 0.000 2.750 265 I HA 0.864 5.029 4.170 -0.009 0.000 0.308 265 I C -1.110 175.098 176.117 0.151 0.000 1.016 265 I CA -1.085 60.256 61.300 0.068 0.000 1.098 265 I CB 1.249 39.258 38.000 0.015 0.000 1.279 265 I HN 0.633 nan 8.210 nan 0.000 0.454 266 F N 3.575 123.513 119.950 -0.021 0.000 2.449 266 F HA 0.780 5.301 4.527 -0.009 0.000 0.342 266 F C 0.372 176.160 175.800 -0.020 0.000 1.127 266 F CA -0.284 57.707 58.000 -0.016 0.000 0.975 266 F CB 0.967 39.963 39.000 -0.006 0.000 1.146 266 F HN 1.064 nan 8.300 nan 0.000 0.444 267 G N 4.166 112.613 108.800 -0.588 0.000 3.399 267 G HA2 0.490 4.445 3.960 -0.009 0.000 0.685 267 G HA3 0.490 4.445 3.960 -0.009 0.000 0.685 267 G C -1.244 173.504 174.900 -0.253 0.000 0.952 267 G CA -0.311 44.479 45.100 -0.516 0.000 0.793 267 G HN 1.748 nan 8.290 nan 0.000 0.492 268 A N 2.396 125.087 122.820 -0.215 0.000 2.610 268 A HA 0.966 5.281 4.320 -0.009 0.000 0.291 268 A C -0.515 176.985 177.584 -0.139 0.000 1.086 268 A CA 0.023 51.966 52.037 -0.155 0.000 0.677 268 A CB 1.959 20.872 19.000 -0.144 0.000 1.278 268 A HN 1.477 nan 8.150 nan 0.000 0.414 269 Q N 0.428 120.159 119.800 -0.114 0.000 2.281 269 Q HA 0.640 4.975 4.340 -0.009 0.000 0.263 269 Q C -1.671 174.270 176.000 -0.098 0.000 0.989 269 Q CA -0.213 55.535 55.803 -0.090 0.000 0.852 269 Q CB 1.778 30.468 28.738 -0.080 0.000 1.337 269 Q HN 0.819 nan 8.270 nan 0.000 0.418 270 M N 2.027 121.577 119.600 -0.085 0.000 2.662 270 M HA 0.664 5.139 4.480 -0.009 0.000 0.310 270 M C -0.814 175.342 176.300 -0.240 0.000 1.204 270 M CA -0.712 54.474 55.300 -0.190 0.000 0.891 270 M CB 2.487 34.984 32.600 -0.172 0.000 1.732 270 M HN 0.388 nan 8.290 nan 0.000 0.467 271 R N 0.563 120.768 120.500 -0.491 0.000 2.744 271 R HA 0.808 5.143 4.340 -0.009 0.000 0.279 271 R C -1.801 174.092 176.300 -0.679 0.000 0.977 271 R CA -0.613 55.271 56.100 -0.359 0.000 0.906 271 R CB 2.074 32.266 30.300 -0.180 0.000 1.197 271 R HN 0.471 nan 8.270 nan 0.000 0.463 272 F N -0.423 119.548 119.950 0.035 0.000 2.581 272 F HA 0.317 4.840 4.527 -0.008 0.000 0.311 272 F C 0.167 175.982 175.800 0.025 0.000 1.113 272 F CA -0.815 57.210 58.000 0.042 0.000 0.935 272 F CB 2.461 41.457 39.000 -0.005 0.000 1.232 272 F HN 0.319 nan 8.300 nan 0.000 0.445 273 S N 2.287 118.106 115.700 0.199 0.000 2.489 273 S HA 0.389 4.854 4.470 -0.009 0.000 0.277 273 S C 0.349 175.006 174.600 0.095 0.000 1.230 273 S CA -0.438 57.833 58.200 0.118 0.000 1.053 273 S CB 0.415 63.662 63.200 0.079 0.000 0.955 273 S HN 0.571 nan 8.310 nan 0.000 0.488 274 L N 4.678 125.949 121.223 0.080 0.000 2.607 274 L HA 0.351 4.686 4.340 -0.009 0.000 0.228 274 L C 1.177 178.093 176.870 0.076 0.000 1.123 274 L CA 0.485 55.360 54.840 0.058 0.000 0.890 274 L CB -0.646 41.457 42.059 0.073 0.000 1.103 274 L HN 0.599 nan 8.230 nan 0.000 0.468 275 R N 1.580 122.129 120.500 0.083 0.000 2.502 275 R HA -0.002 4.333 4.340 -0.009 0.000 0.292 275 R C 0.266 176.655 176.300 0.149 0.000 0.998 275 R CA 0.097 56.254 56.100 0.095 0.000 1.056 275 R CB -0.102 30.240 30.300 0.070 0.000 0.939 275 R HN 0.212 nan 8.270 nan 0.000 0.411 276 N N 2.730 121.515 118.700 0.142 0.000 2.780 276 N HA -0.198 4.537 4.740 -0.009 0.000 0.248 276 N C -0.964 174.701 175.510 0.259 0.000 1.102 276 N CA 0.785 53.940 53.050 0.174 0.000 0.697 276 N CB -1.038 37.554 38.487 0.176 0.000 1.028 276 N HN 0.735 nan 8.380 nan 0.000 0.554 277 N N -0.786 118.034 118.700 0.200 0.000 2.727 277 N HA -0.229 4.506 4.740 -0.009 0.000 0.249 277 N C 0.137 175.775 175.510 0.213 0.000 1.048 277 N CA 0.988 54.158 53.050 0.200 0.000 0.714 277 N CB -0.874 37.750 38.487 0.228 0.000 0.959 277 N HN 0.589 nan 8.380 nan 0.000 0.544 278 R N 0.609 121.163 120.500 0.090 0.000 2.401 278 R HA 0.263 4.598 4.340 -0.009 0.000 0.299 278 R C -0.309 175.837 176.300 -0.256 0.000 1.064 278 R CA -0.365 55.553 56.100 -0.303 0.000 1.000 278 R CB 0.317 30.492 30.300 -0.208 0.000 0.973 278 R HN 0.171 nan 8.270 nan 0.000 0.438 279 L N 8.215 129.204 121.223 -0.390 0.000 2.294 279 L HA 0.412 4.747 4.340 -0.009 0.000 0.283 279 L C -2.125 174.378 176.870 -0.613 0.000 1.015 279 L CA -2.357 52.228 54.840 -0.423 0.000 0.831 279 L CB 1.757 43.515 42.059 -0.501 0.000 1.217 279 L HN 0.569 nan 8.230 nan 0.000 0.420 280 P HA 0.046 nan 4.420 nan 0.000 0.232 280 P C -0.457 176.095 177.300 -1.248 0.000 1.738 280 P CA 0.076 62.261 63.100 -1.525 0.000 0.948 280 P CB -0.360 30.662 31.700 -1.131 0.000 1.943 281 L N 1.629 122.315 121.223 -0.895 0.000 2.385 281 L HA 0.112 4.447 4.340 -0.009 0.000 0.281 281 L C 0.873 177.630 176.870 -0.189 0.000 1.106 281 L CA -0.965 53.514 54.840 -0.602 0.000 0.856 281 L CB 0.143 41.621 42.059 -0.969 0.000 1.186 281 L HN 0.011 nan 8.230 nan 0.000 0.453 282 L N 3.548 124.715 121.223 -0.094 0.000 2.543 282 L HA -0.066 4.269 4.340 -0.009 0.000 0.285 282 L C 1.555 178.634 176.870 0.348 0.000 1.236 282 L CA 0.939 55.880 54.840 0.169 0.000 0.871 282 L CB 0.880 42.883 42.059 -0.093 0.000 1.121 282 L HN 0.745 nan 8.230 nan 0.000 0.501 283 T N -4.055 110.706 114.554 0.346 0.000 2.990 283 T HA -0.034 4.311 4.350 -0.009 0.000 0.249 283 T C 1.349 176.230 174.700 0.301 0.000 1.039 283 T CA 0.499 62.782 62.100 0.306 0.000 1.036 283 T CB -0.236 68.789 68.868 0.260 0.000 0.994 283 T HN 0.652 nan 8.240 nan 0.000 0.489 284 T N -0.847 113.834 114.554 0.212 0.000 3.118 284 T HA 0.214 4.559 4.350 -0.009 0.000 0.260 284 T C 0.491 175.237 174.700 0.078 0.000 1.139 284 T CA 0.144 62.285 62.100 0.068 0.000 1.085 284 T CB -0.172 68.669 68.868 -0.045 0.000 0.934 284 T HN 0.460 nan 8.240 nan 0.000 0.518 285 K N 0.960 121.439 120.400 0.133 0.000 2.550 285 K HA 0.315 4.630 4.320 -0.009 0.000 0.252 285 K C -1.056 175.636 176.600 0.154 0.000 0.943 285 K CA -0.821 55.538 56.287 0.120 0.000 0.806 285 K CB 2.209 34.764 32.500 0.091 0.000 1.289 285 K HN 0.189 nan 8.250 nan 0.000 0.435 286 R N 3.335 123.921 120.500 0.144 0.000 2.449 286 R HA 0.139 4.473 4.340 -0.009 0.000 0.296 286 R C -0.819 175.633 176.300 0.253 0.000 1.047 286 R CA -0.253 55.968 56.100 0.202 0.000 1.018 286 R CB 0.466 30.841 30.300 0.126 0.000 0.962 286 R HN 0.227 nan 8.270 nan 0.000 0.428 287 V N 6.014 126.127 119.914 0.332 0.000 2.607 287 V HA 0.082 4.197 4.120 -0.009 0.000 0.289 287 V C 0.239 176.527 176.094 0.323 0.000 1.053 287 V CA -0.472 61.974 62.300 0.244 0.000 0.996 287 V CB 0.900 32.773 31.823 0.082 0.000 0.995 287 V HN 0.673 nan 8.190 nan 0.000 0.476 288 F N 5.610 125.636 119.950 0.126 0.000 2.678 288 F HA 0.121 4.645 4.527 -0.004 0.000 0.358 288 F C 1.023 176.819 175.800 -0.006 0.000 1.256 288 F CA -1.108 56.956 58.000 0.107 0.000 1.278 288 F CB -0.421 38.672 39.000 0.155 0.000 1.681 288 F HN 0.804 nan 8.300 nan 0.000 0.661 289 W N 4.696 125.876 121.300 -0.199 0.000 2.321 289 W HA -0.279 4.376 4.660 -0.009 0.000 0.306 289 W C 1.778 177.978 176.519 -0.533 0.000 1.217 289 W CA 1.819 58.932 57.345 -0.386 0.000 1.257 289 W CB -0.189 29.106 29.460 -0.275 0.000 1.145 289 W HN 0.484 nan 8.180 nan 0.000 0.509 290 R N 0.326 120.385 120.500 -0.736 0.000 2.096 290 R HA -0.124 4.211 4.340 -0.009 0.000 0.235 290 R C 2.612 178.282 176.300 -1.051 0.000 1.127 290 R CA 1.981 57.585 56.100 -0.826 0.000 0.968 290 R CB -0.986 29.069 30.300 -0.408 0.000 0.861 290 R HN 0.271 nan 8.270 nan 0.000 0.440 291 G N -0.230 107.578 108.800 -1.653 0.000 2.404 291 G HA2 -0.202 3.753 3.960 -0.009 0.000 0.215 291 G HA3 -0.202 3.753 3.960 -0.009 0.000 0.215 291 G C 1.395 175.954 174.900 -0.569 0.000 1.174 291 G CA 0.831 45.355 45.100 -0.958 0.000 0.780 291 G HN 0.204 nan 8.290 nan 0.000 0.537 292 V N 0.242 119.576 119.914 -0.966 0.000 2.324 292 V HA -0.255 3.860 4.120 -0.009 0.000 0.250 292 V C 2.934 178.514 176.094 -0.857 0.000 1.060 292 V CA 1.858 63.484 62.300 -1.124 0.000 1.042 292 V CB -0.839 30.231 31.823 -1.255 0.000 0.650 292 V HN 0.576 nan 8.190 nan 0.000 0.450 293 C N -0.078 118.542 119.300 -1.133 0.000 2.466 293 C HA -0.064 4.391 4.460 -0.009 0.000 0.278 293 C C 2.811 177.496 174.990 -0.507 0.000 1.288 293 C CA 0.786 59.225 59.018 -0.965 0.000 1.722 293 C CB -0.919 26.062 27.740 -1.264 0.000 2.017 293 C HN 0.588 nan 8.230 nan 0.000 0.488 294 E N 0.456 120.378 120.200 -0.464 0.000 2.106 294 E HA -0.179 4.166 4.350 -0.009 0.000 0.192 294 E C 2.088 178.548 176.600 -0.232 0.000 0.984 294 E CA 0.996 57.226 56.400 -0.284 0.000 0.806 294 E CB -0.523 29.008 29.700 -0.281 0.000 0.750 294 E HN 0.749 nan 8.360 nan 0.000 0.458 295 E N 0.508 120.523 120.200 -0.307 0.000 2.107 295 E HA -0.130 4.215 4.350 -0.009 0.000 0.191 295 E C 2.225 178.556 176.600 -0.448 0.000 0.982 295 E CA 0.247 56.421 56.400 -0.376 0.000 0.809 295 E CB 0.070 29.579 29.700 -0.317 0.000 0.756 295 E HN 0.075 nan 8.360 nan 0.000 0.459 296 L N 0.684 121.748 121.223 -0.265 0.000 2.027 296 L HA -0.181 4.154 4.340 -0.009 0.000 0.206 296 L C 2.143 179.055 176.870 0.070 0.000 1.074 296 L CA 1.129 55.947 54.840 -0.037 0.000 0.745 296 L CB -0.318 41.729 42.059 -0.019 0.000 0.898 296 L HN 0.147 nan 8.230 nan 0.000 0.433 297 L N -1.274 119.962 121.223 0.021 0.000 2.042 297 L HA -0.236 4.099 4.340 -0.009 0.000 0.210 297 L C 2.227 179.178 176.870 0.135 0.000 1.076 297 L CA 1.912 56.807 54.840 0.092 0.000 0.749 297 L CB -1.643 40.458 42.059 0.070 0.000 0.893 297 L HN 0.557 nan 8.230 nan 0.000 0.432 298 W N -0.396 120.832 121.300 -0.120 0.000 2.335 298 W HA -0.277 4.380 4.660 -0.005 0.000 0.311 298 W C 2.410 178.900 176.519 -0.047 0.000 1.213 298 W CA 1.430 58.700 57.345 -0.124 0.000 1.274 298 W CB -0.324 28.990 29.460 -0.245 0.000 1.148 298 W HN 0.062 nan 8.180 nan 0.000 0.498 299 F N 0.251 120.215 119.950 0.022 0.000 2.046 299 F HA -0.235 4.288 4.527 -0.008 0.000 0.297 299 F C 2.450 178.107 175.800 -0.237 0.000 1.123 299 F CA 1.472 59.272 58.000 -0.335 0.000 1.199 299 F CB -1.636 37.087 39.000 -0.461 0.000 0.972 299 F HN -0.176 nan 8.300 nan 0.000 0.474 300 L N -0.535 120.831 121.223 0.237 0.000 2.129 300 L HA -0.247 4.088 4.340 -0.009 0.000 0.212 300 L C 2.442 179.374 176.870 0.103 0.000 1.087 300 L CA 1.321 56.302 54.840 0.234 0.000 0.757 300 L CB -0.439 41.748 42.059 0.213 0.000 0.896 300 L HN 0.135 nan 8.230 nan 0.000 0.434 301 R N -0.694 119.830 120.500 0.040 0.000 2.275 301 R HA 0.012 4.347 4.340 -0.009 0.000 0.199 301 R C 1.352 177.625 176.300 -0.046 0.000 0.989 301 R CA 0.612 56.715 56.100 0.005 0.000 1.016 301 R CB 0.099 30.405 30.300 0.011 0.000 0.918 301 R HN 0.493 nan 8.270 nan 0.000 0.473 302 G N 1.228 109.960 108.800 -0.113 0.000 2.159 302 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.256 302 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.256 302 G C -0.242 174.550 174.900 -0.181 0.000 0.977 302 G CA -0.155 44.879 45.100 -0.111 0.000 0.652 302 G HN 0.268 nan 8.290 nan 0.000 0.531 303 E N 0.342 120.275 120.200 -0.444 0.000 2.415 303 E HA 0.320 4.665 4.350 -0.009 0.000 0.262 303 E C 1.401 177.499 176.600 -0.837 0.000 1.038 303 E CA 1.038 57.056 56.400 -0.636 0.000 0.921 303 E CB 0.903 29.931 29.700 -1.120 0.000 0.950 303 E HN 0.669 nan 8.360 nan 0.000 0.438 304 T N -1.556 112.807 114.554 -0.319 0.000 3.041 304 T HA 0.011 4.356 4.350 -0.009 0.000 0.276 304 T C 0.036 174.845 174.700 0.183 0.000 0.948 304 T CA -0.364 61.631 62.100 -0.175 0.000 0.885 304 T CB -0.120 68.661 68.868 -0.145 0.000 1.175 304 T HN 0.339 nan 8.240 nan 0.000 0.529 305 Y N 2.796 123.173 120.300 0.128 0.000 2.535 305 Y HA 0.711 5.257 4.550 -0.007 0.000 0.349 305 Y C 1.257 177.285 175.900 0.213 0.000 0.992 305 Y CA -1.904 56.212 58.100 0.028 0.000 1.248 305 Y CB 0.626 38.970 38.460 -0.194 0.000 1.124 305 Y HN 0.233 nan 8.280 nan 0.000 0.520 306 A N 4.850 127.609 122.820 -0.101 0.000 2.168 306 A HA -0.083 4.231 4.320 -0.009 0.000 0.215 306 A C 2.153 179.478 177.584 -0.432 0.000 1.152 306 A CA 1.021 52.865 52.037 -0.321 0.000 0.716 306 A CB -0.335 18.490 19.000 -0.292 0.000 0.794 306 A HN 0.738 nan 8.150 nan 0.000 0.465 307 K N 0.974 120.947 120.400 -0.711 0.000 2.113 307 K HA -0.183 4.132 4.320 -0.009 0.000 0.208 307 K C 1.724 178.117 176.600 -0.345 0.000 1.047 307 K CA 2.036 57.954 56.287 -0.616 0.000 0.928 307 K CB -0.258 31.619 32.500 -1.039 0.000 0.716 307 K HN 0.500 nan 8.250 nan 0.000 0.446 308 K N -0.350 119.898 120.400 -0.254 0.000 2.152 308 K HA -0.134 4.181 4.320 -0.009 0.000 0.206 308 K C 1.735 178.232 176.600 -0.172 0.000 1.048 308 K CA 1.096 57.343 56.287 -0.068 0.000 0.933 308 K CB -0.095 32.507 32.500 0.169 0.000 0.721 308 K HN 0.079 nan 8.250 nan 0.000 0.447 309 L N 0.527 121.538 121.223 -0.354 0.000 2.162 309 L HA -0.012 4.322 4.340 -0.009 0.000 0.205 309 L C 2.179 178.865 176.870 -0.306 0.000 1.086 309 L CA 1.479 56.079 54.840 -0.400 0.000 0.778 309 L CB -0.675 41.020 42.059 -0.607 0.000 0.928 309 L HN -0.029 nan 8.230 nan 0.000 0.446 310 S N -0.300 115.242 115.700 -0.264 0.000 2.368 310 S HA -0.165 4.300 4.470 -0.009 0.000 0.225 310 S C 1.463 175.964 174.600 -0.165 0.000 1.030 310 S CA 1.193 59.263 58.200 -0.216 0.000 0.999 310 S CB -0.223 62.953 63.200 -0.040 0.000 0.844 310 S HN 0.441 nan 8.310 nan 0.000 0.459 311 D N 1.074 121.402 120.400 -0.120 0.000 2.263 311 D HA -0.040 4.594 4.640 -0.009 0.000 0.208 311 D C 1.328 177.585 176.300 -0.071 0.000 0.971 311 D CA 1.009 54.971 54.000 -0.064 0.000 0.867 311 D CB -0.077 40.699 40.800 -0.040 0.000 0.929 311 D HN 0.339 nan 8.370 nan 0.000 0.492 312 K N -0.753 119.575 120.400 -0.120 0.000 2.410 312 K HA 0.254 4.569 4.320 -0.009 0.000 0.200 312 K C 0.908 177.433 176.600 -0.126 0.000 1.023 312 K CA 0.234 56.458 56.287 -0.105 0.000 1.149 312 K CB 0.851 33.284 32.500 -0.111 0.000 0.859 312 K HN 0.076 nan 8.250 nan 0.000 0.514 313 G N 0.856 109.529 108.800 -0.211 0.000 2.148 313 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.254 313 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.254 313 G C -0.011 174.653 174.900 -0.393 0.000 0.981 313 G CA 0.067 45.001 45.100 -0.276 0.000 0.670 313 G HN 0.149 nan 8.290 nan 0.000 0.528 314 V N 0.689 120.368 119.914 -0.392 0.000 2.318 314 V HA 0.442 4.557 4.120 -0.009 0.000 0.271 314 V C 0.732 176.633 176.094 -0.321 0.000 1.030 314 V CA -0.327 61.856 62.300 -0.195 0.000 0.844 314 V CB 0.878 32.621 31.823 -0.132 0.000 1.015 314 V HN 0.447 nan 8.190 nan 0.000 0.460 315 H N 4.197 123.278 119.070 0.018 0.000 2.505 315 H HA 0.242 4.797 4.556 -0.001 0.000 0.286 315 H C 1.885 177.167 175.328 -0.077 0.000 1.072 315 H CA -0.094 55.930 56.048 -0.040 0.000 1.141 315 H CB 0.321 30.051 29.762 -0.054 0.000 1.550 315 H HN 0.772 nan 8.280 nan 0.000 0.547 316 I N -2.521 118.031 120.570 -0.030 0.000 2.700 316 I HA -0.158 4.007 4.170 -0.009 0.000 0.261 316 I C 0.795 176.680 176.117 -0.388 0.000 1.219 316 I CA 1.350 62.511 61.300 -0.232 0.000 1.463 316 I CB -0.096 37.690 38.000 -0.356 0.000 1.092 316 I HN 0.197 nan 8.210 nan 0.000 0.452 317 W N 1.331 122.536 121.300 -0.158 0.000 3.127 317 W HA 0.197 4.851 4.660 -0.010 0.000 0.344 317 W C 1.513 177.954 176.519 -0.131 0.000 1.151 317 W CA -0.419 56.832 57.345 -0.156 0.000 1.765 317 W CB 0.109 29.446 29.460 -0.206 0.000 1.085 317 W HN 0.038 nan 8.180 nan 0.000 0.596 318 D N 0.583 121.023 120.400 0.067 0.000 2.123 318 D HA -0.204 4.431 4.640 -0.009 0.000 0.196 318 D C 1.607 177.899 176.300 -0.014 0.000 0.992 318 D CA 1.659 55.681 54.000 0.037 0.000 0.833 318 D CB -0.248 40.567 40.800 0.024 0.000 0.954 318 D HN 0.057 nan 8.370 nan 0.000 0.455 319 D N 0.090 120.439 120.400 -0.087 0.000 2.117 319 D HA -0.073 4.562 4.640 -0.009 0.000 0.197 319 D C 1.266 177.381 176.300 -0.309 0.000 0.987 319 D CA 0.724 54.632 54.000 -0.153 0.000 0.829 319 D CB -0.349 40.336 40.800 -0.192 0.000 0.961 319 D HN 0.341 nan 8.370 nan 0.000 0.460 320 N N -0.213 118.254 118.700 -0.388 0.000 2.398 320 N HA 0.031 4.766 4.740 -0.009 0.000 0.188 320 N C 1.286 176.787 175.510 -0.016 0.000 1.122 320 N CA 0.128 52.757 53.050 -0.701 0.000 0.866 320 N CB 0.695 38.953 38.487 -0.382 0.000 0.970 320 N HN 0.085 nan 8.380 nan 0.000 0.462 321 G N 0.415 109.276 108.800 0.102 0.000 3.228 321 G HA2 -0.013 3.942 3.960 -0.009 0.000 0.245 321 G HA3 -0.013 3.942 3.960 -0.009 0.000 0.245 321 G C 0.357 175.366 174.900 0.182 0.000 1.051 321 G CA -0.206 45.008 45.100 0.190 0.000 0.809 321 G HN 0.189 nan 8.290 nan 0.000 0.531 322 S N -0.067 115.737 115.700 0.173 0.000 2.580 322 S HA 0.317 4.782 4.470 -0.009 0.000 0.274 322 S C 1.441 176.155 174.600 0.189 0.000 1.329 322 S CA -0.358 57.935 58.200 0.154 0.000 1.036 322 S CB 2.280 65.553 63.200 0.121 0.000 0.919 322 S HN 0.134 nan 8.310 nan 0.000 0.515 323 R N 2.310 122.896 120.500 0.144 0.000 2.134 323 R HA -0.216 4.119 4.340 -0.009 0.000 0.248 323 R C 2.302 178.677 176.300 0.125 0.000 1.143 323 R CA 2.452 58.629 56.100 0.129 0.000 0.957 323 R CB -1.472 28.885 30.300 0.096 0.000 0.867 323 R HN 0.909 nan 8.270 nan 0.000 0.441 324 A N -1.006 121.889 122.820 0.126 0.000 1.902 324 A HA -0.135 4.179 4.320 -0.009 0.000 0.217 324 A C 2.231 179.899 177.584 0.140 0.000 1.181 324 A CA 1.485 53.590 52.037 0.112 0.000 0.623 324 A CB -0.798 18.266 19.000 0.106 0.000 0.818 324 A HN 0.502 nan 8.150 nan 0.000 0.443 325 F N 0.293 120.278 119.950 0.058 0.000 2.163 325 F HA 0.005 4.527 4.527 -0.008 0.000 0.297 325 F C 1.884 177.727 175.800 0.071 0.000 1.094 325 F CA 1.270 59.309 58.000 0.065 0.000 1.290 325 F CB -0.120 38.929 39.000 0.081 0.000 1.017 325 F HN 0.113 nan 8.300 nan 0.000 0.483 326 L N -0.133 121.217 121.223 0.212 0.000 2.083 326 L HA -0.215 4.120 4.340 -0.009 0.000 0.209 326 L C 2.001 178.859 176.870 -0.021 0.000 1.083 326 L CA 1.312 56.228 54.840 0.125 0.000 0.752 326 L CB -0.799 41.395 42.059 0.226 0.000 0.899 326 L HN 0.060 nan 8.230 nan 0.000 0.433 327 D N -0.323 120.072 120.400 -0.008 0.000 2.144 327 D HA -0.143 4.492 4.640 -0.009 0.000 0.199 327 D C 2.307 178.550 176.300 -0.094 0.000 0.984 327 D CA 1.651 55.627 54.000 -0.041 0.000 0.834 327 D CB -0.090 40.706 40.800 -0.007 0.000 0.955 327 D HN 0.325 nan 8.370 nan 0.000 0.465 328 S N -0.512 115.102 115.700 -0.143 0.000 2.607 328 S HA 0.004 4.469 4.470 -0.009 0.000 0.224 328 S C 1.686 176.126 174.600 -0.266 0.000 0.969 328 S CA 0.193 58.278 58.200 -0.191 0.000 0.927 328 S CB 0.235 63.312 63.200 -0.205 0.000 0.772 328 S HN -0.019 nan 8.310 nan 0.000 0.533 329 R N 0.273 120.604 120.500 -0.281 0.000 2.437 329 R HA 0.390 4.725 4.340 -0.009 0.000 0.257 329 R C 1.393 177.596 176.300 -0.161 0.000 0.927 329 R CA 0.727 56.680 56.100 -0.246 0.000 1.078 329 R CB -0.032 30.098 30.300 -0.283 0.000 1.161 329 R HN 0.475 nan 8.270 nan 0.000 0.529 330 G N 0.345 109.057 108.800 -0.146 0.000 2.175 330 G HA2 -0.240 3.715 3.960 -0.009 0.000 0.244 330 G HA3 -0.240 3.715 3.960 -0.009 0.000 0.244 330 G C 0.032 174.827 174.900 -0.175 0.000 0.982 330 G CA 0.281 45.300 45.100 -0.134 0.000 0.641 330 G HN 0.226 nan 8.290 nan 0.000 0.527 331 L N 2.598 123.697 121.223 -0.207 0.000 2.648 331 L HA 0.339 4.674 4.340 -0.009 0.000 0.238 331 L C 2.024 178.747 176.870 -0.245 0.000 1.316 331 L CA 0.431 55.043 54.840 -0.380 0.000 1.241 331 L CB -0.018 41.774 42.059 -0.445 0.000 1.499 331 L HN 0.322 nan 8.230 nan 0.000 0.411 332 T N -4.260 110.199 114.554 -0.159 0.000 3.118 332 T HA -0.034 4.310 4.350 -0.009 0.000 0.260 332 T C 1.175 175.865 174.700 -0.016 0.000 1.139 332 T CA 0.536 62.602 62.100 -0.057 0.000 1.085 332 T CB -0.032 68.809 68.868 -0.044 0.000 0.934 332 T HN 0.505 nan 8.240 nan 0.000 0.518 333 E N -0.275 119.885 120.200 -0.068 0.000 2.400 333 E HA 0.171 4.516 4.350 -0.009 0.000 0.195 333 E C -0.396 176.376 176.600 0.286 0.000 1.012 333 E CA -0.124 56.314 56.400 0.063 0.000 0.875 333 E CB -0.161 29.548 29.700 0.016 0.000 0.859 333 E HN 0.492 nan 8.360 nan 0.000 0.498 334 Y N 2.692 123.098 120.300 0.177 0.000 2.336 334 Y HA 0.144 4.689 4.550 -0.009 0.000 0.331 334 Y C 0.985 177.006 175.900 0.203 0.000 1.211 334 Y CA -1.925 56.319 58.100 0.241 0.000 1.346 334 Y CB 0.181 38.759 38.460 0.197 0.000 1.271 334 Y HN 0.046 nan 8.280 nan 0.000 0.538 335 E N 0.643 121.076 120.200 0.389 0.000 2.345 335 E HA 0.198 4.543 4.350 -0.009 0.000 0.259 335 E C -0.698 176.067 176.600 0.276 0.000 1.117 335 E CA -0.897 55.661 56.400 0.264 0.000 0.913 335 E CB 0.755 30.578 29.700 0.204 0.000 1.057 335 E HN 0.612 nan 8.360 nan 0.000 0.432 336 E N 1.149 121.484 120.200 0.224 0.000 2.452 336 E HA -0.126 4.219 4.350 -0.009 0.000 0.261 336 E C -0.071 176.653 176.600 0.207 0.000 0.987 336 E CA 0.292 56.810 56.400 0.196 0.000 0.926 336 E CB 0.217 30.003 29.700 0.143 0.000 0.934 336 E HN 0.605 nan 8.360 nan 0.000 0.452 337 M N 1.157 120.848 119.600 0.152 0.000 2.949 337 M HA -0.223 4.252 4.480 -0.009 0.000 0.194 337 M C -0.422 175.949 176.300 0.118 0.000 0.618 337 M CA 0.742 56.073 55.300 0.051 0.000 0.742 337 M CB -1.978 30.513 32.600 -0.181 0.000 2.662 337 M HN 0.580 nan 8.290 nan 0.000 0.291 338 D N 1.793 122.330 120.400 0.228 0.000 2.352 338 D HA 0.428 5.063 4.640 -0.009 0.000 0.245 338 D C 0.926 177.220 176.300 -0.009 0.000 1.224 338 D CA 0.011 54.101 54.000 0.149 0.000 0.879 338 D CB 0.338 41.240 40.800 0.170 0.000 1.057 338 D HN 0.448 nan 8.370 nan 0.000 0.491 339 L N 3.042 124.227 121.223 -0.064 0.000 2.591 339 L HA 0.248 4.583 4.340 -0.009 0.000 0.228 339 L C 1.575 178.279 176.870 -0.276 0.000 1.133 339 L CA 0.204 54.997 54.840 -0.078 0.000 0.880 339 L CB -0.595 41.398 42.059 -0.110 0.000 1.033 339 L HN 0.629 nan 8.230 nan 0.000 0.450 340 G N 1.184 109.561 108.800 -0.706 0.000 2.693 340 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.226 340 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.226 340 G C -2.533 171.540 174.900 -1.379 0.000 1.354 340 G CA -0.466 43.876 45.100 -1.264 0.000 0.873 340 G HN 0.057 nan 8.290 nan 0.000 0.562 341 P HA 0.376 nan 4.420 nan 0.000 0.225 341 P C 0.591 177.590 177.300 -0.501 0.000 1.813 341 P CA 0.407 62.785 63.100 -1.204 0.000 1.013 341 P CB -0.189 30.871 31.700 -1.068 0.000 1.961 342 V N -1.308 118.366 119.914 -0.400 0.000 3.134 342 V HA 0.295 4.410 4.120 -0.009 0.000 0.313 342 V C 1.213 177.183 176.094 -0.207 0.000 1.069 342 V CA -0.553 61.581 62.300 -0.277 0.000 1.048 342 V CB -0.232 31.476 31.823 -0.192 0.000 1.119 342 V HN 0.212 nan 8.190 nan 0.000 0.461 343 Y N 2.395 122.547 120.300 -0.247 0.000 1.614 343 Y HA -0.418 4.127 4.550 -0.009 0.000 0.187 343 Y C 2.483 177.845 175.900 -0.897 0.000 0.716 343 Y CA 3.109 60.850 58.100 -0.597 0.000 1.184 343 Y CB -2.092 35.766 38.460 -1.002 0.000 0.585 343 Y HN 0.845 nan 8.280 nan 0.000 0.762 344 G N -1.526 106.789 108.800 -0.808 0.000 2.450 344 G HA2 -0.298 3.657 3.960 -0.009 0.000 0.220 344 G HA3 -0.298 3.657 3.960 -0.009 0.000 0.220 344 G C 1.457 176.230 174.900 -0.212 0.000 1.130 344 G CA 1.031 45.727 45.100 -0.674 0.000 0.760 344 G HN 0.482 nan 8.290 nan 0.000 0.557 345 F N 1.115 120.911 119.950 -0.257 0.000 2.126 345 F HA -0.135 4.387 4.527 -0.008 0.000 0.299 345 F C 2.877 178.683 175.800 0.009 0.000 1.096 345 F CA 1.929 59.869 58.000 -0.100 0.000 1.255 345 F CB 0.124 38.996 39.000 -0.212 0.000 0.997 345 F HN 0.097 nan 8.300 nan 0.000 0.479 346 Q N -0.869 119.031 119.800 0.167 0.000 2.172 346 Q HA -0.170 4.165 4.340 -0.009 0.000 0.200 346 Q C 2.053 178.312 176.000 0.432 0.000 0.964 346 Q CA 1.189 57.140 55.803 0.247 0.000 0.855 346 Q CB -0.821 28.079 28.738 0.270 0.000 0.918 346 Q HN 0.528 nan 8.270 nan 0.000 0.444 347 W N 1.301 122.664 121.300 0.106 0.000 2.363 347 W HA -0.084 4.572 4.660 -0.007 0.000 0.296 347 W C 1.963 178.423 176.519 -0.100 0.000 1.212 347 W CA 0.743 58.115 57.345 0.045 0.000 1.260 347 W CB -0.252 29.173 29.460 -0.060 0.000 1.131 347 W HN 0.147 nan 8.180 nan 0.000 0.530 348 R N -1.749 118.740 120.500 -0.018 0.000 2.225 348 R HA 0.087 4.422 4.340 -0.009 0.000 0.194 348 R C 0.274 176.176 176.300 -0.664 0.000 0.957 348 R CA 0.732 56.606 56.100 -0.377 0.000 1.042 348 R CB -0.473 29.489 30.300 -0.564 0.000 1.004 348 R HN 0.279 nan 8.270 nan 0.000 0.509 349 H N -0.575 118.345 119.070 -0.250 0.000 2.674 349 H HA 0.161 4.712 4.556 -0.009 0.000 0.235 349 H C -0.731 174.495 175.328 -0.169 0.000 1.330 349 H CA -0.932 54.899 56.048 -0.363 0.000 1.052 349 H CB -0.405 28.786 29.762 -0.951 0.000 1.954 349 H HN -0.066 nan 8.280 nan 0.000 0.566 350 F N 2.083 122.030 119.950 -0.006 0.000 2.593 350 F HA 0.215 4.737 4.527 -0.008 0.000 0.393 350 F C 1.494 177.354 175.800 0.100 0.000 1.037 350 F CA 1.957 60.007 58.000 0.083 0.000 1.195 350 F CB 0.380 39.442 39.000 0.102 0.000 1.034 350 F HN 0.610 nan 8.300 nan 0.000 0.552 351 G N 3.517 112.148 108.800 -0.283 0.000 2.199 351 G HA2 -0.184 3.771 3.960 -0.009 0.000 0.254 351 G HA3 -0.184 3.771 3.960 -0.009 0.000 0.254 351 G C 0.290 175.236 174.900 0.077 0.000 0.982 351 G CA -0.037 45.006 45.100 -0.096 0.000 0.632 351 G HN 1.357 nan 8.290 nan 0.000 0.529 352 A N 0.428 123.341 122.820 0.155 0.000 2.477 352 A HA 0.734 5.049 4.320 -0.009 0.000 0.246 352 A C 1.080 178.840 177.584 0.294 0.000 1.078 352 A CA 1.028 53.199 52.037 0.224 0.000 0.770 352 A CB 0.329 19.456 19.000 0.211 0.000 1.011 352 A HN 2.130 nan 8.150 nan 0.000 0.494 353 A N 2.121 125.071 122.820 0.217 0.000 2.524 353 A HA 0.401 4.716 4.320 -0.009 0.000 0.250 353 A C -0.273 177.467 177.584 0.260 0.000 1.078 353 A CA 0.194 52.337 52.037 0.177 0.000 0.761 353 A CB -0.363 18.701 19.000 0.107 0.000 1.012 353 A HN 0.915 nan 8.150 nan 0.000 0.500 354 Y N 2.624 122.922 120.300 -0.002 0.000 2.323 354 Y HA 0.411 4.955 4.550 -0.009 0.000 0.331 354 Y C 1.452 177.327 175.900 -0.042 0.000 1.092 354 Y CA 0.710 58.734 58.100 -0.126 0.000 1.150 354 Y CB 1.636 39.791 38.460 -0.507 0.000 1.200 354 Y HN 0.851 nan 8.280 nan 0.000 0.472 355 T N 0.835 115.132 114.554 -0.429 0.000 3.311 355 T HA 0.320 4.665 4.350 -0.009 0.000 0.239 355 T C -0.215 173.997 174.700 -0.814 0.000 0.976 355 T CA 0.135 61.983 62.100 -0.419 0.000 1.283 355 T CB 0.081 68.804 68.868 -0.241 0.000 1.113 355 T HN 0.578 nan 8.240 nan 0.000 0.392 356 H N 0.211 118.966 119.070 -0.524 0.000 3.016 356 H HA 0.351 4.901 4.556 -0.009 0.000 0.362 356 H C 0.843 175.917 175.328 -0.424 0.000 1.233 356 H CA 0.084 55.903 56.048 -0.383 0.000 1.124 356 H CB 1.662 31.291 29.762 -0.223 0.000 1.850 356 H HN 0.613 nan 8.280 nan 0.000 0.549 357 H N 0.354 119.393 119.070 -0.051 0.000 2.387 357 H HA -0.145 4.406 4.556 -0.007 0.000 0.299 357 H C 0.695 176.026 175.328 0.006 0.000 1.099 357 H CA 2.023 58.079 56.048 0.014 0.000 1.315 357 H CB 0.071 29.832 29.762 -0.001 0.000 1.380 357 H HN 0.496 nan 8.280 nan 0.000 0.513 358 D N 0.952 120.852 120.400 -0.833 0.000 2.319 358 D HA 0.190 4.825 4.640 -0.009 0.000 0.230 358 D C 0.607 176.720 176.300 -0.311 0.000 1.094 358 D CA 0.287 53.946 54.000 -0.568 0.000 0.856 358 D CB -0.417 39.929 40.800 -0.757 0.000 0.915 358 D HN 0.633 nan 8.370 nan 0.000 0.517 359 A N 0.487 123.143 122.820 -0.273 0.000 2.271 359 A HA 0.388 4.703 4.320 -0.009 0.000 0.288 359 A C 0.091 177.374 177.584 -0.501 0.000 1.094 359 A CA -0.704 51.071 52.037 -0.437 0.000 0.828 359 A CB 0.355 18.954 19.000 -0.668 0.000 1.091 359 A HN 0.152 nan 8.150 nan 0.000 0.493 360 N N 0.093 118.476 118.700 -0.528 0.000 2.437 360 N HA 0.268 5.003 4.740 -0.009 0.000 0.243 360 N C -0.906 174.278 175.510 -0.545 0.000 1.041 360 N CA 0.021 52.832 53.050 -0.398 0.000 0.940 360 N CB -0.075 38.256 38.487 -0.261 0.000 1.133 360 N HN 0.504 nan 8.380 nan 0.000 0.506 361 Y N 0.347 120.480 120.300 -0.279 0.000 2.493 361 Y HA 0.242 4.787 4.550 -0.009 0.000 0.275 361 Y C 0.101 175.732 175.900 -0.448 0.000 1.183 361 Y CA -0.575 57.275 58.100 -0.417 0.000 1.258 361 Y CB 0.049 38.113 38.460 -0.660 0.000 1.108 361 Y HN 0.394 nan 8.280 nan 0.000 0.521 362 D N 0.489 120.693 120.400 -0.328 0.000 2.531 362 D HA 0.161 4.796 4.640 -0.009 0.000 0.239 362 D C 1.417 177.392 176.300 -0.542 0.000 1.144 362 D CA 1.802 55.412 54.000 -0.649 0.000 0.869 362 D CB 0.817 41.042 40.800 -0.958 0.000 1.160 362 D HN 0.547 nan 8.370 nan 0.000 0.484 363 G N 2.721 111.237 108.800 -0.473 0.000 2.234 363 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.260 363 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.260 363 G C 0.303 175.224 174.900 0.035 0.000 0.987 363 G CA 0.072 45.130 45.100 -0.070 0.000 0.625 363 G HN 0.558 nan 8.290 nan 0.000 0.532 364 Q N 0.245 120.069 119.800 0.040 0.000 2.235 364 Q HA 0.519 4.854 4.340 -0.009 0.000 0.250 364 Q C 0.812 176.906 176.000 0.156 0.000 0.909 364 Q CA 0.201 56.056 55.803 0.087 0.000 0.910 364 Q CB 1.612 30.389 28.738 0.064 0.000 1.223 364 Q HN 1.609 nan 8.270 nan 0.000 0.432 365 G N 0.175 109.053 108.800 0.130 0.000 2.725 365 G HA2 -0.215 3.740 3.960 -0.009 0.000 0.220 365 G HA3 -0.215 3.740 3.960 -0.009 0.000 0.220 365 G C -0.910 174.070 174.900 0.134 0.000 1.357 365 G CA -0.807 44.379 45.100 0.144 0.000 0.866 365 G HN 0.501 nan 8.290 nan 0.000 0.548 366 V N 1.140 121.157 119.914 0.172 0.000 2.383 366 V HA 0.415 4.530 4.120 -0.009 0.000 0.275 366 V C 0.132 176.268 176.094 0.070 0.000 1.036 366 V CA 0.027 62.401 62.300 0.123 0.000 0.889 366 V CB 1.594 33.492 31.823 0.126 0.000 0.985 366 V HN 0.742 nan 8.190 nan 0.000 0.459 367 D N 4.181 124.587 120.400 0.009 0.000 2.483 367 D HA 0.156 4.791 4.640 -0.009 0.000 0.220 367 D C 1.214 177.504 176.300 -0.017 0.000 1.173 367 D CA 0.105 54.075 54.000 -0.049 0.000 0.964 367 D CB 0.916 41.678 40.800 -0.063 0.000 1.046 367 D HN 0.607 nan 8.370 nan 0.000 0.517 368 Q N 2.385 122.191 119.800 0.010 0.000 2.119 368 Q HA -0.125 4.210 4.340 -0.009 0.000 0.201 368 Q C 1.730 177.704 176.000 -0.044 0.000 0.972 368 Q CA 0.690 56.505 55.803 0.020 0.000 0.847 368 Q CB 0.398 29.196 28.738 0.100 0.000 0.903 368 Q HN 0.535 nan 8.270 nan 0.000 0.433 369 I N 1.516 122.008 120.570 -0.131 0.000 2.142 369 I HA -0.275 3.890 4.170 -0.009 0.000 0.240 369 I C 2.352 178.395 176.117 -0.122 0.000 1.078 369 I CA 1.528 62.703 61.300 -0.207 0.000 1.343 369 I CB -1.103 36.770 38.000 -0.213 0.000 1.046 369 I HN 0.247 nan 8.210 nan 0.000 0.405 370 K N 0.955 121.310 120.400 -0.074 0.000 2.032 370 K HA -0.207 4.108 4.320 -0.009 0.000 0.209 370 K C 2.185 178.760 176.600 -0.042 0.000 1.048 370 K CA 1.810 58.071 56.287 -0.043 0.000 0.927 370 K CB -0.036 32.456 32.500 -0.014 0.000 0.712 370 K HN 0.273 nan 8.250 nan 0.000 0.441 371 A N 1.325 124.127 122.820 -0.031 0.000 1.865 371 A HA -0.202 4.113 4.320 -0.009 0.000 0.217 371 A C 2.123 179.688 177.584 -0.033 0.000 1.191 371 A CA 1.763 53.789 52.037 -0.019 0.000 0.623 371 A CB -0.642 18.357 19.000 -0.003 0.000 0.826 371 A HN 0.319 nan 8.150 nan 0.000 0.444 372 I N -0.557 119.986 120.570 -0.045 0.000 2.118 372 I HA -0.253 3.912 4.170 -0.009 0.000 0.241 372 I C 2.458 178.493 176.117 -0.136 0.000 1.070 372 I CA 1.496 62.749 61.300 -0.078 0.000 1.327 372 I CB -0.343 37.601 38.000 -0.094 0.000 1.034 372 I HN 0.170 nan 8.210 nan 0.000 0.405 373 V N 0.393 120.218 119.914 -0.149 0.000 2.282 373 V HA -0.317 3.798 4.120 -0.009 0.000 0.249 373 V C 2.526 178.566 176.094 -0.090 0.000 1.057 373 V CA 1.957 64.175 62.300 -0.137 0.000 1.032 373 V CB -0.677 31.085 31.823 -0.103 0.000 0.645 373 V HN 0.426 nan 8.190 nan 0.000 0.447 374 E N -0.028 120.136 120.200 -0.061 0.000 2.072 374 E HA -0.148 4.197 4.350 -0.009 0.000 0.191 374 E C 2.334 178.909 176.600 -0.042 0.000 0.985 374 E CA 1.780 58.156 56.400 -0.042 0.000 0.801 374 E CB -0.763 28.922 29.700 -0.026 0.000 0.750 374 E HN 0.651 nan 8.360 nan 0.000 0.452 375 T N 2.154 116.683 114.554 -0.042 0.000 2.674 375 T HA -0.115 4.230 4.350 -0.009 0.000 0.265 375 T C 2.183 176.856 174.700 -0.044 0.000 1.039 375 T CA 1.014 63.094 62.100 -0.034 0.000 1.150 375 T CB -0.416 68.440 68.868 -0.021 0.000 0.864 375 T HN 0.085 nan 8.240 nan 0.000 0.427 376 L N 0.544 121.727 121.223 -0.067 0.000 2.081 376 L HA -0.183 4.151 4.340 -0.009 0.000 0.212 376 L C 2.701 179.533 176.870 -0.064 0.000 1.080 376 L CA 1.474 56.268 54.840 -0.076 0.000 0.754 376 L CB -0.512 41.472 42.059 -0.124 0.000 0.893 376 L HN 0.259 nan 8.230 nan 0.000 0.433 377 K N -0.762 119.602 120.400 -0.060 0.000 2.062 377 K HA -0.109 4.205 4.320 -0.009 0.000 0.205 377 K C 2.115 178.692 176.600 -0.038 0.000 1.051 377 K CA 1.903 58.161 56.287 -0.048 0.000 0.941 377 K CB -0.149 32.324 32.500 -0.045 0.000 0.719 377 K HN 0.507 nan 8.250 nan 0.000 0.440 378 T N -2.222 112.312 114.554 -0.034 0.000 3.021 378 T HA -0.005 4.339 4.350 -0.009 0.000 0.245 378 T C 0.766 175.449 174.700 -0.027 0.000 1.028 378 T CA 0.066 62.150 62.100 -0.027 0.000 1.139 378 T CB 0.032 68.887 68.868 -0.022 0.000 0.884 378 T HN 0.047 nan 8.240 nan 0.000 0.457 379 N N 1.587 120.269 118.700 -0.029 0.000 2.609 379 N HA 0.267 5.002 4.740 -0.009 0.000 0.268 379 N C -2.770 172.717 175.510 -0.037 0.000 1.106 379 N CA -1.583 51.449 53.050 -0.030 0.000 0.823 379 N CB 2.313 40.787 38.487 -0.022 0.000 1.263 379 N HN -0.047 nan 8.380 nan 0.000 0.533 380 P HA 0.116 nan 4.420 nan 0.000 0.236 380 P C 0.300 177.543 177.300 -0.095 0.000 1.177 380 P CA 0.492 63.551 63.100 -0.069 0.000 0.773 380 P CB 0.454 32.108 31.700 -0.077 0.000 0.878 381 D N -0.751 119.602 120.400 -0.077 0.000 2.363 381 D HA -0.059 4.576 4.640 -0.009 0.000 0.220 381 D C 0.570 176.843 176.300 -0.047 0.000 0.994 381 D CA 0.544 54.495 54.000 -0.081 0.000 0.890 381 D CB -0.577 40.190 40.800 -0.054 0.000 0.906 381 D HN 0.204 nan 8.370 nan 0.000 0.530 382 D N 0.552 120.935 120.400 -0.028 0.000 2.472 382 D HA -0.052 4.583 4.640 -0.009 0.000 0.237 382 D C 0.529 176.843 176.300 0.023 0.000 1.141 382 D CA 0.290 54.289 54.000 -0.000 0.000 0.875 382 D CB 0.704 41.506 40.800 0.003 0.000 1.192 382 D HN 0.052 nan 8.370 nan 0.000 0.450 383 R N 2.373 122.894 120.500 0.035 0.000 2.577 383 R HA 0.160 4.495 4.340 -0.009 0.000 0.344 383 R C 0.731 177.061 176.300 0.049 0.000 1.037 383 R CA -0.093 56.040 56.100 0.056 0.000 1.102 383 R CB 0.760 31.091 30.300 0.051 0.000 1.313 383 R HN 0.263 nan 8.270 nan 0.000 0.561 384 R N 0.128 120.655 120.500 0.045 0.000 2.565 384 R HA 0.292 4.627 4.340 -0.009 0.000 0.347 384 R C 0.070 176.405 176.300 0.059 0.000 1.010 384 R CA -0.139 55.983 56.100 0.037 0.000 1.126 384 R CB 0.597 30.910 30.300 0.021 0.000 1.331 384 R HN 0.015 nan 8.270 nan 0.000 0.552 385 M N 1.994 121.652 119.600 0.096 0.000 3.442 385 M HA 0.170 4.645 4.480 -0.009 0.000 0.232 385 M C -0.991 175.443 176.300 0.223 0.000 1.508 385 M CA 0.369 55.764 55.300 0.158 0.000 1.647 385 M CB -0.188 32.522 32.600 0.183 0.000 1.126 385 M HN -0.093 nan 8.290 nan 0.000 0.557 386 L N 2.338 123.651 121.223 0.150 0.000 2.370 386 L HA 0.717 5.051 4.340 -0.009 0.000 0.266 386 L C -0.608 176.356 176.870 0.157 0.000 1.002 386 L CA -0.519 54.371 54.840 0.084 0.000 0.818 386 L CB 1.761 43.813 42.059 -0.013 0.000 1.325 386 L HN 0.387 nan 8.230 nan 0.000 0.418 387 F N -0.792 119.161 119.950 0.005 0.000 2.551 387 F HA 0.876 5.397 4.527 -0.009 0.000 0.316 387 F C -0.263 175.535 175.800 -0.004 0.000 1.089 387 F CA -0.705 57.271 58.000 -0.039 0.000 0.915 387 F CB 1.831 40.760 39.000 -0.119 0.000 1.186 387 F HN 0.372 nan 8.300 nan 0.000 0.456 388 T N 1.064 115.735 114.554 0.195 0.000 2.908 388 T HA 0.696 5.040 4.350 -0.009 0.000 0.290 388 T C 0.193 175.226 174.700 0.555 0.000 1.034 388 T CA -0.061 62.193 62.100 0.256 0.000 1.010 388 T CB 1.659 70.648 68.868 0.201 0.000 1.068 388 T HN 1.024 nan 8.240 nan 0.000 0.481 389 A N 2.841 125.998 122.820 0.562 0.000 2.288 389 A HA 0.261 4.576 4.320 -0.009 0.000 0.216 389 A C 0.673 178.478 177.584 0.368 0.000 1.199 389 A CA -0.489 51.863 52.037 0.524 0.000 0.891 389 A CB 0.073 19.371 19.000 0.497 0.000 0.923 389 A HN 0.815 nan 8.150 nan 0.000 0.500 390 W N 2.554 123.989 121.300 0.225 0.000 2.430 390 W HA 0.286 4.941 4.660 -0.009 0.000 0.380 390 W C -0.749 175.894 176.519 0.207 0.000 1.045 390 W CA -0.320 57.116 57.345 0.151 0.000 1.547 390 W CB 0.192 29.723 29.460 0.119 0.000 1.554 390 W HN 0.262 nan 8.180 nan 0.000 0.378 391 N N 7.222 125.868 118.700 -0.089 0.000 2.626 391 N HA 0.221 4.956 4.740 -0.009 0.000 0.242 391 N C -1.816 173.525 175.510 -0.282 0.000 1.005 391 N CA -2.203 50.786 53.050 -0.102 0.000 0.905 391 N CB 1.452 39.703 38.487 -0.393 0.000 1.128 391 N HN 0.040 nan 8.380 nan 0.000 0.512 392 P HA -0.129 nan 4.420 nan 0.000 0.217 392 P C 0.988 178.189 177.300 -0.165 0.000 1.148 392 P CA 1.282 64.252 63.100 -0.217 0.000 0.834 392 P CB 0.409 32.089 31.700 -0.033 0.000 0.783 393 S N -1.111 114.519 115.700 -0.117 0.000 2.402 393 S HA -0.063 4.402 4.470 -0.009 0.000 0.229 393 S C 1.932 176.449 174.600 -0.138 0.000 1.021 393 S CA 1.340 59.480 58.200 -0.099 0.000 0.974 393 S CB -0.633 62.530 63.200 -0.062 0.000 0.800 393 S HN 0.192 nan 8.310 nan 0.000 0.484 394 A N 0.490 123.190 122.820 -0.201 0.000 2.115 394 A HA 0.286 4.601 4.320 -0.009 0.000 0.211 394 A C 1.759 179.203 177.584 -0.232 0.000 1.169 394 A CA 0.109 52.019 52.037 -0.212 0.000 0.787 394 A CB -0.299 18.551 19.000 -0.251 0.000 0.858 394 A HN 0.309 nan 8.150 nan 0.000 0.474 395 L N 0.499 121.551 121.223 -0.284 0.000 2.010 395 L HA -0.156 4.179 4.340 -0.009 0.000 0.219 395 L C -0.673 176.076 176.870 -0.202 0.000 1.077 395 L CA 2.516 57.171 54.840 -0.309 0.000 0.773 395 L CB -1.673 40.125 42.059 -0.434 0.000 0.892 395 L HN 0.212 nan 8.230 nan 0.000 0.436 396 P HA -0.102 nan 4.420 nan 0.000 0.228 396 P C 1.111 178.345 177.300 -0.110 0.000 1.151 396 P CA 0.963 63.992 63.100 -0.118 0.000 0.770 396 P CB 0.019 31.659 31.700 -0.100 0.000 0.786 397 R N -1.590 118.838 120.500 -0.120 0.000 2.300 397 R HA 0.260 4.595 4.340 -0.009 0.000 0.199 397 R C 0.892 177.160 176.300 -0.053 0.000 0.920 397 R CA 0.210 56.256 56.100 -0.090 0.000 1.046 397 R CB -0.447 29.795 30.300 -0.098 0.000 0.984 397 R HN 0.361 nan 8.270 nan 0.000 0.493 398 M N -0.564 118.980 119.600 -0.094 0.000 2.318 398 M HA 0.299 4.774 4.480 -0.009 0.000 0.347 398 M C 1.332 177.664 176.300 0.055 0.000 1.175 398 M CA -0.351 54.903 55.300 -0.078 0.000 1.075 398 M CB 1.723 34.237 32.600 -0.144 0.000 1.614 398 M HN -0.070 nan 8.290 nan 0.000 0.456 399 A N 2.752 125.660 122.820 0.147 0.000 1.986 399 A HA 0.002 4.317 4.320 -0.009 0.000 0.220 399 A C 0.522 178.348 177.584 0.403 0.000 1.171 399 A CA 1.616 53.851 52.037 0.329 0.000 0.640 399 A CB -0.049 19.191 19.000 0.401 0.000 0.811 399 A HN 0.659 nan 8.150 nan 0.000 0.451 400 L N -1.613 119.778 121.223 0.279 0.000 2.592 400 L HA 0.486 4.820 4.340 -0.009 0.000 0.258 400 L C -2.964 173.978 176.870 0.120 0.000 0.926 400 L CA -1.688 53.318 54.840 0.276 0.000 0.885 400 L CB 2.056 44.356 42.059 0.402 0.000 1.380 400 L HN -0.149 nan 8.230 nan 0.000 0.415 401 P HA 0.343 nan 4.420 nan 0.000 0.275 401 P C -2.649 174.687 177.300 0.060 0.000 1.228 401 P CA -1.050 62.038 63.100 -0.020 0.000 0.786 401 P CB -0.183 31.522 31.700 0.008 0.000 0.927 402 P HA 0.000 nan 4.420 nan 0.000 0.269 402 P C 0.095 177.552 177.300 0.261 0.000 1.215 402 P CA -0.081 62.927 63.100 -0.154 0.000 0.780 402 P CB 0.747 32.346 31.700 -0.169 0.000 0.898 403 C N 1.440 120.927 119.300 0.312 0.000 2.508 403 C HA 0.117 4.572 4.460 -0.009 0.000 0.303 403 C C 0.946 176.150 174.990 0.356 0.000 1.496 403 C CA 0.458 59.692 59.018 0.359 0.000 2.041 403 C CB -1.443 26.551 27.740 0.424 0.000 2.011 403 C HN 0.755 nan 8.230 nan 0.000 0.655 404 H N 1.645 120.985 119.070 0.451 0.000 2.878 404 H HA 0.442 4.993 4.556 -0.009 0.000 0.290 404 H C 0.325 175.949 175.328 0.493 0.000 1.065 404 H CA 0.144 56.397 56.048 0.342 0.000 1.477 404 H CB 0.206 30.151 29.762 0.304 0.000 1.484 404 H HN 0.459 nan 8.280 nan 0.000 0.504 405 L N 1.347 122.783 121.223 0.355 0.000 2.948 405 L HA 0.473 4.807 4.340 -0.009 0.000 0.259 405 L C -0.359 176.652 176.870 0.236 0.000 1.136 405 L CA -0.120 54.931 54.840 0.352 0.000 0.959 405 L CB 0.476 42.739 42.059 0.339 0.000 1.370 405 L HN 0.552 nan 8.230 nan 0.000 0.552 406 L N 0.950 122.226 121.223 0.088 0.000 2.513 406 L HA 0.933 5.268 4.340 -0.009 0.000 0.261 406 L C -1.701 174.973 176.870 -0.326 0.000 0.945 406 L CA -0.474 54.289 54.840 -0.129 0.000 0.848 406 L CB 2.101 44.107 42.059 -0.088 0.000 1.334 406 L HN 0.075 nan 8.230 nan 0.000 0.407 407 A N 4.100 126.529 122.820 -0.652 0.000 2.408 407 A HA 0.624 4.939 4.320 -0.009 0.000 0.295 407 A C -1.512 175.727 177.584 -0.575 0.000 1.040 407 A CA -0.446 51.182 52.037 -0.682 0.000 0.707 407 A CB 1.817 20.322 19.000 -0.825 0.000 1.235 407 A HN 0.672 nan 8.150 nan 0.000 0.418 408 Q N 1.885 121.445 119.800 -0.399 0.000 2.312 408 Q HA 0.715 5.050 4.340 -0.009 0.000 0.263 408 Q C -1.774 174.069 176.000 -0.263 0.000 0.995 408 Q CA -0.478 55.199 55.803 -0.211 0.000 0.853 408 Q CB 1.115 29.794 28.738 -0.097 0.000 1.300 408 Q HN 0.597 nan 8.270 nan 0.000 0.448 409 F N 2.440 122.437 119.950 0.078 0.000 2.425 409 F HA 0.486 5.008 4.527 -0.009 0.000 0.331 409 F C -0.709 175.193 175.800 0.170 0.000 1.085 409 F CA -0.493 57.578 58.000 0.117 0.000 1.028 409 F CB 1.267 40.327 39.000 0.101 0.000 1.177 409 F HN 0.514 nan 8.300 nan 0.000 0.487 410 Y N 1.368 121.799 120.300 0.218 0.000 2.470 410 Y HA 0.684 5.229 4.550 -0.009 0.000 0.341 410 Y C -1.784 174.184 175.900 0.113 0.000 1.021 410 Y CA -1.050 57.121 58.100 0.119 0.000 1.025 410 Y CB 1.666 40.164 38.460 0.064 0.000 1.266 410 Y HN 0.321 nan 8.280 nan 0.000 0.448 411 V N 5.195 124.909 119.914 -0.335 0.000 2.487 411 V HA 0.721 4.836 4.120 -0.009 0.000 0.298 411 V C -0.899 174.990 176.094 -0.342 0.000 1.028 411 V CA -0.326 61.851 62.300 -0.204 0.000 0.860 411 V CB 1.488 33.233 31.823 -0.129 0.000 0.991 411 V HN 0.773 nan 8.190 nan 0.000 0.427 412 S N 3.777 119.416 115.700 -0.101 0.000 2.533 412 S HA 0.492 4.957 4.470 -0.009 0.000 0.271 412 S C -0.150 174.462 174.600 0.020 0.000 1.143 412 S CA -0.645 57.530 58.200 -0.042 0.000 0.891 412 S CB 1.693 64.939 63.200 0.076 0.000 1.105 412 S HN 0.765 nan 8.310 nan 0.000 0.468 413 N N 1.462 120.168 118.700 0.009 0.000 2.721 413 N HA -0.198 4.537 4.740 -0.009 0.000 0.249 413 N C 1.022 176.542 175.510 0.016 0.000 1.072 413 N CA 1.538 54.599 53.050 0.018 0.000 0.710 413 N CB -1.503 37.005 38.487 0.034 0.000 0.993 413 N HN 1.993 nan 8.380 nan 0.000 0.547 414 G N -0.729 108.072 108.800 0.003 0.000 2.168 414 G HA2 -0.328 3.627 3.960 -0.009 0.000 0.263 414 G HA3 -0.328 3.627 3.960 -0.009 0.000 0.263 414 G C -0.140 174.770 174.900 0.016 0.000 0.977 414 G CA 0.950 46.052 45.100 0.003 0.000 0.659 414 G HN 0.618 nan 8.290 nan 0.000 0.533 415 E N -0.628 119.591 120.200 0.032 0.000 2.179 415 E HA 0.601 4.945 4.350 -0.009 0.000 0.275 415 E C -0.471 176.176 176.600 0.077 0.000 0.945 415 E CA -1.041 55.393 56.400 0.056 0.000 0.792 415 E CB 2.138 31.881 29.700 0.072 0.000 1.125 415 E HN 0.180 nan 8.360 nan 0.000 0.397 416 L N 2.095 123.375 121.223 0.095 0.000 2.257 416 L HA 0.325 4.660 4.340 -0.009 0.000 0.290 416 L C -0.673 176.321 176.870 0.206 0.000 1.044 416 L CA 0.209 55.138 54.840 0.149 0.000 0.810 416 L CB 1.210 43.348 42.059 0.132 0.000 1.193 416 L HN 0.329 nan 8.230 nan 0.000 0.425 417 S N 3.726 119.580 115.700 0.257 0.000 2.651 417 S HA 0.678 5.143 4.470 -0.009 0.000 0.291 417 S C -1.140 173.582 174.600 0.205 0.000 1.141 417 S CA -0.553 57.781 58.200 0.222 0.000 1.027 417 S CB 1.360 64.689 63.200 0.215 0.000 1.043 417 S HN 0.843 nan 8.310 nan 0.000 0.530 418 C N 3.814 123.150 119.300 0.060 0.000 2.686 418 C HA 0.780 5.234 4.460 -0.009 0.000 0.318 418 C C -0.716 174.183 174.990 -0.152 0.000 1.160 418 C CA -0.758 58.163 59.018 -0.162 0.000 1.396 418 C CB 0.524 28.126 27.740 -0.229 0.000 1.924 418 C HN 0.968 nan 8.230 nan 0.000 0.471 419 M N 6.435 125.899 119.600 -0.228 0.000 2.294 419 M HA 0.764 5.239 4.480 -0.009 0.000 0.335 419 M C -1.350 174.792 176.300 -0.262 0.000 1.079 419 M CA -0.329 54.862 55.300 -0.181 0.000 0.982 419 M CB 1.442 33.961 32.600 -0.135 0.000 1.651 419 M HN 0.747 nan 8.290 nan 0.000 0.437 420 L N 5.509 126.568 121.223 -0.272 0.000 2.346 420 L HA 0.608 4.943 4.340 -0.009 0.000 0.276 420 L C -2.230 174.500 176.870 -0.234 0.000 1.006 420 L CA -0.335 54.248 54.840 -0.429 0.000 0.817 420 L CB 1.599 43.178 42.059 -0.801 0.000 1.272 420 L HN 0.781 nan 8.230 nan 0.000 0.421 421 Y N 3.675 123.811 120.300 -0.274 0.000 2.335 421 Y HA 0.575 5.120 4.550 -0.008 0.000 0.338 421 Y C -0.669 175.189 175.900 -0.070 0.000 0.977 421 Y CA -0.138 57.879 58.100 -0.139 0.000 1.114 421 Y CB 1.321 39.705 38.460 -0.128 0.000 1.182 421 Y HN 0.784 nan 8.280 nan 0.000 0.463 422 Q N 6.308 125.788 119.800 -0.533 0.000 2.290 422 Q HA 0.300 4.635 4.340 -0.009 0.000 0.269 422 Q C 0.245 176.050 176.000 -0.324 0.000 1.016 422 Q CA -0.756 54.932 55.803 -0.191 0.000 0.754 422 Q CB 1.192 29.960 28.738 0.050 0.000 1.247 422 Q HN 0.969 nan 8.270 nan 0.000 0.451 423 R N 1.158 121.624 120.500 -0.057 0.000 2.153 423 R HA 0.182 4.517 4.340 -0.009 0.000 0.218 423 R C 0.325 176.681 176.300 0.093 0.000 1.072 423 R CA 0.425 56.543 56.100 0.029 0.000 0.990 423 R CB 0.357 30.706 30.300 0.081 0.000 0.889 423 R HN 0.258 nan 8.270 nan 0.000 0.452 424 S N -0.202 115.583 115.700 0.141 0.000 2.594 424 S HA 0.469 4.934 4.470 -0.009 0.000 0.296 424 S C -1.462 173.269 174.600 0.218 0.000 1.124 424 S CA -0.808 57.530 58.200 0.230 0.000 1.011 424 S CB 1.645 65.003 63.200 0.264 0.000 1.016 424 S HN 0.351 nan 8.310 nan 0.000 0.485 425 C N 4.019 123.402 119.300 0.139 0.000 2.653 425 C HA 0.387 4.842 4.460 -0.009 0.000 0.291 425 C C -0.279 174.408 174.990 -0.505 0.000 1.064 425 C CA -1.186 57.789 59.018 -0.072 0.000 1.469 425 C CB -0.386 27.310 27.740 -0.073 0.000 1.861 425 C HN 0.924 nan 8.230 nan 0.000 0.434 426 D N 3.078 123.249 120.400 -0.382 0.000 2.342 426 D HA 0.140 4.775 4.640 -0.009 0.000 0.260 426 D C 1.312 177.540 176.300 -0.120 0.000 1.278 426 D CA -0.102 53.665 54.000 -0.388 0.000 0.910 426 D CB 0.667 41.526 40.800 0.097 0.000 1.079 426 D HN 0.328 nan 8.370 nan 0.000 0.496 427 M N 2.983 122.496 119.600 -0.146 0.000 2.213 427 M HA -0.000 4.475 4.480 -0.009 0.000 0.263 427 M C 1.919 178.312 176.300 0.155 0.000 1.062 427 M CA 1.084 56.392 55.300 0.012 0.000 1.105 427 M CB -0.950 31.603 32.600 -0.079 0.000 1.385 427 M HN 0.543 nan 8.290 nan 0.000 0.417 428 G N -1.696 107.175 108.800 0.118 0.000 2.880 428 G HA2 0.234 4.189 3.960 -0.009 0.000 0.209 428 G HA3 0.234 4.189 3.960 -0.009 0.000 0.209 428 G C 1.340 176.298 174.900 0.097 0.000 1.157 428 G CA 0.248 45.416 45.100 0.113 0.000 0.779 428 G HN 0.407 nan 8.290 nan 0.000 0.539 429 L N -1.913 119.382 121.223 0.120 0.000 2.230 429 L HA 0.403 4.737 4.340 -0.009 0.000 0.164 429 L C 2.464 179.417 176.870 0.137 0.000 1.237 429 L CA 1.238 56.147 54.840 0.114 0.000 1.030 429 L CB -0.575 41.533 42.059 0.082 0.000 2.103 429 L HN 0.006 nan 8.230 nan 0.000 0.490 430 G N -0.008 108.860 108.800 0.115 0.000 2.440 430 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.218 430 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.218 430 G C 1.325 176.342 174.900 0.195 0.000 1.154 430 G CA 1.454 46.629 45.100 0.125 0.000 0.767 430 G HN 0.247 nan 8.290 nan 0.000 0.552 431 V N 1.896 121.913 119.914 0.172 0.000 2.283 431 V HA -0.073 4.042 4.120 -0.009 0.000 0.243 431 V C 0.277 176.468 176.094 0.162 0.000 1.039 431 V CA 2.086 64.506 62.300 0.200 0.000 1.016 431 V CB -0.971 30.943 31.823 0.152 0.000 0.650 431 V HN 0.274 nan 8.190 nan 0.000 0.449 432 P HA -0.175 nan 4.420 nan 0.000 0.218 432 P C 1.647 178.963 177.300 0.027 0.000 1.148 432 P CA 1.429 64.505 63.100 -0.041 0.000 0.822 432 P CB -0.103 31.566 31.700 -0.052 0.000 0.784 433 F N 0.575 120.524 119.950 -0.003 0.000 2.146 433 F HA -0.132 4.390 4.527 -0.009 0.000 0.298 433 F C 1.836 177.633 175.800 -0.006 0.000 1.096 433 F CA 1.496 59.498 58.000 0.003 0.000 1.275 433 F CB -0.502 38.515 39.000 0.029 0.000 1.008 433 F HN -0.151 nan 8.300 nan 0.000 0.480 434 N N 0.570 119.445 118.700 0.292 0.000 2.300 434 N HA -0.074 4.661 4.740 -0.009 0.000 0.179 434 N C 2.060 177.618 175.510 0.080 0.000 1.016 434 N CA 1.303 54.468 53.050 0.191 0.000 0.876 434 N CB -0.339 38.239 38.487 0.150 0.000 0.979 434 N HN 0.346 nan 8.380 nan 0.000 0.432 435 I N 1.151 121.724 120.570 0.005 0.000 2.208 435 I HA -0.255 3.910 4.170 -0.009 0.000 0.245 435 I C 2.282 178.294 176.117 -0.175 0.000 1.097 435 I CA 1.103 62.315 61.300 -0.147 0.000 1.363 435 I CB -0.257 37.512 38.000 -0.386 0.000 1.051 435 I HN 0.062 nan 8.210 nan 0.000 0.413 436 A N -0.033 122.682 122.820 -0.177 0.000 1.898 436 A HA -0.170 4.145 4.320 -0.009 0.000 0.216 436 A C 2.485 180.036 177.584 -0.054 0.000 1.181 436 A CA 1.997 53.953 52.037 -0.135 0.000 0.620 436 A CB -0.684 18.225 19.000 -0.152 0.000 0.819 436 A HN 0.373 nan 8.150 nan 0.000 0.442 437 S N -1.223 114.431 115.700 -0.076 0.000 2.359 437 S HA -0.175 4.290 4.470 -0.009 0.000 0.224 437 S C 1.787 176.372 174.600 -0.024 0.000 1.035 437 S CA 1.765 59.936 58.200 -0.048 0.000 1.018 437 S CB -0.541 62.689 63.200 0.049 0.000 0.876 437 S HN 0.675 nan 8.310 nan 0.000 0.448 438 Y N 1.290 121.583 120.300 -0.011 0.000 2.475 438 Y HA 0.220 4.765 4.550 -0.009 0.000 0.289 438 Y C 2.415 178.332 175.900 0.027 0.000 1.121 438 Y CA 0.129 58.243 58.100 0.022 0.000 1.257 438 Y CB -0.632 37.795 38.460 -0.054 0.000 1.026 438 Y HN 0.247 nan 8.280 nan 0.000 0.555 439 A N 0.224 123.103 122.820 0.098 0.000 1.858 439 A HA -0.181 4.134 4.320 -0.009 0.000 0.216 439 A C 2.257 179.895 177.584 0.090 0.000 1.190 439 A CA 1.481 53.549 52.037 0.051 0.000 0.617 439 A CB -1.066 17.899 19.000 -0.058 0.000 0.827 439 A HN 0.473 nan 8.150 nan 0.000 0.443 440 L N -1.017 120.271 121.223 0.108 0.000 2.013 440 L HA -0.208 4.126 4.340 -0.009 0.000 0.212 440 L C 2.583 179.523 176.870 0.116 0.000 1.073 440 L CA 1.988 56.919 54.840 0.152 0.000 0.753 440 L CB -0.337 41.794 42.059 0.119 0.000 0.890 440 L HN 0.507 nan 8.230 nan 0.000 0.432 441 L N -0.431 120.838 121.223 0.077 0.000 1.989 441 L HA -0.252 4.083 4.340 -0.009 0.000 0.211 441 L C 2.428 179.395 176.870 0.162 0.000 1.071 441 L CA 2.583 57.477 54.840 0.091 0.000 0.749 441 L CB -0.939 41.129 42.059 0.014 0.000 0.890 441 L HN 0.223 nan 8.230 nan 0.000 0.431 442 T N 0.013 114.698 114.554 0.218 0.000 2.720 442 T HA -0.194 4.151 4.350 -0.009 0.000 0.268 442 T C 1.993 176.788 174.700 0.158 0.000 1.037 442 T CA 2.061 64.331 62.100 0.283 0.000 1.144 442 T CB -0.453 68.569 68.868 0.257 0.000 0.864 442 T HN 0.345 nan 8.240 nan 0.000 0.444 443 I N 0.627 121.270 120.570 0.120 0.000 2.208 443 I HA -0.157 4.008 4.170 -0.009 0.000 0.245 443 I C 2.299 178.407 176.117 -0.014 0.000 1.097 443 I CA 1.260 62.608 61.300 0.080 0.000 1.363 443 I CB -0.377 37.714 38.000 0.151 0.000 1.051 443 I HN 0.204 nan 8.210 nan 0.000 0.413 444 L N 0.033 121.250 121.223 -0.011 0.000 2.056 444 L HA -0.209 4.126 4.340 -0.009 0.000 0.207 444 L C 2.490 179.279 176.870 -0.135 0.000 1.078 444 L CA 0.995 55.752 54.840 -0.139 0.000 0.749 444 L CB -0.439 41.562 42.059 -0.096 0.000 0.901 444 L HN 0.239 nan 8.230 nan 0.000 0.433 445 I N 0.190 120.718 120.570 -0.070 0.000 2.315 445 I HA -0.202 3.963 4.170 -0.009 0.000 0.248 445 I C 2.871 178.915 176.117 -0.122 0.000 1.117 445 I CA 1.404 62.628 61.300 -0.128 0.000 1.404 445 I CB -1.530 36.339 38.000 -0.219 0.000 1.071 445 I HN 0.157 nan 8.210 nan 0.000 0.419 446 A N 1.226 124.008 122.820 -0.064 0.000 1.917 446 A HA -0.234 4.081 4.320 -0.009 0.000 0.219 446 A C 2.377 179.907 177.584 -0.089 0.000 1.182 446 A CA 1.691 53.697 52.037 -0.051 0.000 0.633 446 A CB -0.495 18.503 19.000 -0.004 0.000 0.819 446 A HN 0.382 nan 8.150 nan 0.000 0.448 447 K N -0.536 119.780 120.400 -0.140 0.000 2.025 447 K HA -0.026 4.289 4.320 -0.009 0.000 0.207 447 K C 2.322 178.845 176.600 -0.128 0.000 1.049 447 K CA 1.072 57.252 56.287 -0.177 0.000 0.933 447 K CB -0.362 31.942 32.500 -0.327 0.000 0.714 447 K HN 0.428 nan 8.250 nan 0.000 0.438 448 A N 1.355 124.102 122.820 -0.123 0.000 2.024 448 A HA -0.143 4.172 4.320 -0.009 0.000 0.220 448 A C 2.052 179.589 177.584 -0.079 0.000 1.164 448 A CA 2.174 54.161 52.037 -0.083 0.000 0.643 448 A CB -0.666 18.285 19.000 -0.081 0.000 0.806 448 A HN 0.496 nan 8.150 nan 0.000 0.451 449 T N -5.205 109.294 114.554 -0.092 0.000 3.054 449 T HA 0.437 4.782 4.350 -0.009 0.000 0.255 449 T C 1.178 175.839 174.700 -0.065 0.000 1.035 449 T CA 0.942 62.992 62.100 -0.083 0.000 0.941 449 T CB 0.242 69.046 68.868 -0.106 0.000 1.026 449 T HN 1.686 nan 8.240 nan 0.000 0.533 450 G N 1.412 110.174 108.800 -0.063 0.000 2.198 450 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.257 450 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.257 450 G C -0.222 174.654 174.900 -0.040 0.000 1.042 450 G CA 0.305 45.375 45.100 -0.050 0.000 0.791 450 G HN 0.623 nan 8.290 nan 0.000 0.502 451 L N -1.358 119.841 121.223 -0.040 0.000 2.298 451 L HA 0.736 5.071 4.340 -0.009 0.000 0.268 451 L C 1.083 177.947 176.870 -0.010 0.000 1.010 451 L CA -1.327 53.500 54.840 -0.021 0.000 0.812 451 L CB 1.197 43.246 42.059 -0.016 0.000 1.331 451 L HN 0.069 nan 8.230 nan 0.000 0.450 452 R N 0.633 121.139 120.500 0.009 0.000 2.428 452 R HA 0.384 4.719 4.340 -0.009 0.000 0.294 452 R C -2.422 173.905 176.300 0.045 0.000 1.000 452 R CA -1.733 54.382 56.100 0.024 0.000 0.960 452 R CB 1.237 31.555 30.300 0.030 0.000 1.076 452 R HN 0.233 nan 8.270 nan 0.000 0.475 453 P HA 0.012 nan 4.420 nan 0.000 0.268 453 P C -0.277 177.076 177.300 0.088 0.000 1.205 453 P CA 0.168 63.317 63.100 0.081 0.000 0.771 453 P CB 1.015 32.766 31.700 0.084 0.000 0.858 454 G N 2.143 111.006 108.800 0.105 0.000 2.887 454 G HA2 0.217 4.172 3.960 -0.009 0.000 0.210 454 G HA3 0.217 4.172 3.960 -0.009 0.000 0.210 454 G C -0.568 174.391 174.900 0.098 0.000 1.964 454 G CA -0.070 45.090 45.100 0.101 0.000 0.738 454 G HN 0.462 nan 8.290 nan 0.000 0.790 455 E N -0.370 119.891 120.200 0.102 0.000 2.235 455 E HA 0.531 4.875 4.350 -0.009 0.000 0.265 455 E C -1.318 175.342 176.600 0.100 0.000 0.940 455 E CA -0.659 55.796 56.400 0.091 0.000 0.819 455 E CB 2.577 32.310 29.700 0.056 0.000 1.206 455 E HN 0.143 nan 8.360 nan 0.000 0.409 456 L N 3.366 124.666 121.223 0.128 0.000 2.319 456 L HA 0.432 4.767 4.340 -0.009 0.000 0.281 456 L C -1.382 175.577 176.870 0.148 0.000 1.005 456 L CA -0.691 54.228 54.840 0.131 0.000 0.828 456 L CB 1.308 43.463 42.059 0.159 0.000 1.227 456 L HN 0.336 nan 8.230 nan 0.000 0.415 457 V N 4.922 124.870 119.914 0.057 0.000 2.394 457 V HA 0.330 4.445 4.120 -0.009 0.000 0.282 457 V C -0.294 175.841 176.094 0.069 0.000 1.031 457 V CA -0.599 61.726 62.300 0.042 0.000 0.881 457 V CB 1.364 33.168 31.823 -0.031 0.000 0.982 457 V HN 0.735 nan 8.190 nan 0.000 0.451 458 H N 2.588 121.670 119.070 0.019 0.000 2.595 458 H HA 0.462 5.013 4.556 -0.009 0.000 0.313 458 H C -0.452 174.837 175.328 -0.066 0.000 1.023 458 H CA -0.456 55.588 56.048 -0.007 0.000 1.218 458 H CB 0.978 30.812 29.762 0.121 0.000 1.403 458 H HN 0.711 nan 8.280 nan 0.000 0.477 459 T N 6.453 121.094 114.554 0.146 0.000 2.767 459 T HA 0.266 4.611 4.350 -0.009 0.000 0.288 459 T C -0.502 174.108 174.700 -0.151 0.000 0.963 459 T CA -0.626 61.457 62.100 -0.028 0.000 1.019 459 T CB 0.567 69.420 68.868 -0.026 0.000 0.923 459 T HN 0.280 nan 8.240 nan 0.000 0.468 460 L N 2.619 123.709 121.223 -0.220 0.000 2.317 460 L HA 0.623 4.958 4.340 -0.009 0.000 0.281 460 L C 1.238 177.917 176.870 -0.318 0.000 1.024 460 L CA -0.173 54.511 54.840 -0.260 0.000 0.810 460 L CB 1.320 43.246 42.059 -0.222 0.000 1.240 460 L HN 0.788 nan 8.230 nan 0.000 0.427 461 G N 0.606 109.236 108.800 -0.283 0.000 2.558 461 G HA2 -0.058 3.897 3.960 -0.009 0.000 0.218 461 G HA3 -0.058 3.897 3.960 -0.009 0.000 0.218 461 G C -0.126 174.853 174.900 0.132 0.000 1.567 461 G CA 0.010 45.041 45.100 -0.115 0.000 0.950 461 G HN 0.585 nan 8.290 nan 0.000 0.517 462 D N 1.749 122.310 120.400 0.268 0.000 2.365 462 D HA 0.459 5.094 4.640 -0.009 0.000 0.237 462 D C -0.274 176.159 176.300 0.222 0.000 1.190 462 D CA -0.225 53.948 54.000 0.289 0.000 0.867 462 D CB 0.885 41.819 40.800 0.224 0.000 1.050 462 D HN 0.230 nan 8.370 nan 0.000 0.491 463 A N 5.609 128.503 122.820 0.122 0.000 2.249 463 A HA 0.483 4.798 4.320 -0.009 0.000 0.314 463 A C -0.298 177.297 177.584 0.019 0.000 1.290 463 A CA -0.618 51.416 52.037 -0.005 0.000 0.893 463 A CB 0.530 19.485 19.000 -0.074 0.000 1.165 463 A HN 0.744 nan 8.150 nan 0.000 0.530 464 H N -0.147 118.882 119.070 -0.068 0.000 2.928 464 H HA 0.787 5.338 4.556 -0.009 0.000 0.371 464 H C -1.828 173.425 175.328 -0.125 0.000 1.186 464 H CA -1.229 54.744 56.048 -0.126 0.000 1.134 464 H CB 1.324 30.961 29.762 -0.209 0.000 1.824 464 H HN 0.307 nan 8.280 nan 0.000 0.554 465 V N 2.028 121.919 119.914 -0.037 0.000 2.588 465 V HA 0.162 4.276 4.120 -0.009 0.000 0.304 465 V C -0.861 175.213 176.094 -0.032 0.000 1.042 465 V CA -0.803 61.494 62.300 -0.004 0.000 0.877 465 V CB 1.486 33.318 31.823 0.014 0.000 0.996 465 V HN 0.625 nan 8.190 nan 0.000 0.425 466 Y N 1.992 122.380 120.300 0.147 0.000 2.411 466 Y HA 0.061 4.607 4.550 -0.006 0.000 0.333 466 Y C 1.903 177.793 175.900 -0.017 0.000 1.186 466 Y CA 0.610 58.730 58.100 0.034 0.000 1.381 466 Y CB 1.065 39.488 38.460 -0.061 0.000 1.273 466 Y HN 0.695 nan 8.280 nan 0.000 0.546 467 S N 1.210 116.968 115.700 0.097 0.000 2.399 467 S HA -0.209 4.256 4.470 -0.009 0.000 0.231 467 S C 1.577 176.195 174.600 0.030 0.000 1.022 467 S CA 1.434 59.656 58.200 0.037 0.000 0.983 467 S CB -0.389 62.815 63.200 0.006 0.000 0.803 467 S HN 0.845 nan 8.310 nan 0.000 0.480 468 N N 0.290 118.977 118.700 -0.021 0.000 2.521 468 N HA -0.079 4.656 4.740 -0.009 0.000 0.188 468 N C 0.646 176.149 175.510 -0.012 0.000 1.146 468 N CA 0.640 53.650 53.050 -0.067 0.000 0.893 468 N CB -0.238 38.157 38.487 -0.153 0.000 0.975 468 N HN 0.571 nan 8.380 nan 0.000 0.451 469 H N -0.842 118.284 119.070 0.094 0.000 2.755 469 H HA 0.220 4.771 4.556 -0.010 0.000 0.273 469 H C 1.663 177.024 175.328 0.055 0.000 1.055 469 H CA -0.426 55.670 56.048 0.081 0.000 1.191 469 H CB 0.948 30.782 29.762 0.120 0.000 1.536 469 H HN 0.000 nan 8.280 nan 0.000 0.529 470 V N 1.079 121.080 119.914 0.146 0.000 2.343 470 V HA -0.247 3.867 4.120 -0.009 0.000 0.247 470 V C 1.975 178.107 176.094 0.063 0.000 1.051 470 V CA 1.941 64.290 62.300 0.081 0.000 1.036 470 V CB -0.194 31.657 31.823 0.047 0.000 0.654 470 V HN 0.501 nan 8.190 nan 0.000 0.451 471 E N -0.295 119.944 120.200 0.065 0.000 2.028 471 E HA -0.176 4.169 4.350 -0.009 0.000 0.191 471 E C -0.035 176.594 176.600 0.049 0.000 0.988 471 E CA 1.612 58.041 56.400 0.049 0.000 0.799 471 E CB -1.151 28.576 29.700 0.045 0.000 0.755 471 E HN 0.527 nan 8.360 nan 0.000 0.447 472 P HA -0.170 nan 4.420 nan 0.000 0.215 472 P C 1.256 178.573 177.300 0.029 0.000 1.157 472 P CA 1.110 64.240 63.100 0.049 0.000 0.874 472 P CB -0.047 31.692 31.700 0.064 0.000 0.790 473 C N -1.170 118.155 119.300 0.041 0.000 2.401 473 C HA -0.129 4.326 4.460 -0.009 0.000 0.276 473 C C 2.527 177.519 174.990 0.004 0.000 1.233 473 C CA 1.166 60.198 59.018 0.022 0.000 1.753 473 C CB -2.009 25.750 27.740 0.031 0.000 2.029 473 C HN 0.288 nan 8.230 nan 0.000 0.478 474 N N 0.667 119.372 118.700 0.008 0.000 2.205 474 N HA -0.103 4.632 4.740 -0.009 0.000 0.186 474 N C 1.720 177.225 175.510 -0.008 0.000 1.015 474 N CA 1.118 54.167 53.050 -0.002 0.000 0.862 474 N CB -0.427 38.063 38.487 0.004 0.000 0.986 474 N HN 0.578 nan 8.380 nan 0.000 0.429 475 E N 0.594 120.791 120.200 -0.005 0.000 2.107 475 E HA -0.137 4.208 4.350 -0.009 0.000 0.191 475 E C 1.799 178.375 176.600 -0.040 0.000 0.982 475 E CA 0.431 56.822 56.400 -0.014 0.000 0.809 475 E CB -0.182 29.516 29.700 -0.002 0.000 0.756 475 E HN 0.525 nan 8.360 nan 0.000 0.459 476 Q N 0.524 120.303 119.800 -0.036 0.000 2.167 476 Q HA -0.079 4.256 4.340 -0.009 0.000 0.202 476 Q C 2.213 178.172 176.000 -0.067 0.000 0.970 476 Q CA 0.668 56.435 55.803 -0.061 0.000 0.855 476 Q CB 0.023 28.752 28.738 -0.015 0.000 0.911 476 Q HN 0.237 nan 8.270 nan 0.000 0.438 477 L N 0.334 121.533 121.223 -0.040 0.000 2.275 477 L HA -0.135 4.200 4.340 -0.009 0.000 0.215 477 L C 2.122 178.964 176.870 -0.046 0.000 1.119 477 L CA 0.859 55.676 54.840 -0.037 0.000 0.790 477 L CB -0.188 41.851 42.059 -0.033 0.000 0.919 477 L HN 0.139 nan 8.230 nan 0.000 0.443 478 K N 0.130 120.498 120.400 -0.054 0.000 2.288 478 K HA -0.028 4.287 4.320 -0.009 0.000 0.201 478 K C 0.667 177.221 176.600 -0.077 0.000 1.048 478 K CA 0.340 56.598 56.287 -0.048 0.000 0.956 478 K CB 0.007 32.487 32.500 -0.033 0.000 0.746 478 K HN 0.292 nan 8.250 nan 0.000 0.461 479 R N 1.383 121.786 120.500 -0.162 0.000 2.543 479 R HA 0.101 4.436 4.340 -0.009 0.000 0.277 479 R C -0.371 175.836 176.300 -0.155 0.000 1.074 479 R CA -0.264 55.652 56.100 -0.306 0.000 1.076 479 R CB 0.832 30.686 30.300 -0.743 0.000 0.993 479 R HN -0.145 nan 8.270 nan 0.000 0.459 480 V N 4.327 124.219 119.914 -0.036 0.000 2.383 480 V HA 0.238 4.353 4.120 -0.009 0.000 0.275 480 V C -2.053 174.124 176.094 0.137 0.000 1.036 480 V CA -2.330 60.008 62.300 0.063 0.000 0.889 480 V CB 1.064 32.949 31.823 0.104 0.000 0.985 480 V HN 0.671 nan 8.190 nan 0.000 0.459 481 P HA 0.299 nan 4.420 nan 0.000 0.267 481 P C -0.131 177.199 177.300 0.049 0.000 1.205 481 P CA -0.053 63.093 63.100 0.076 0.000 0.765 481 P CB 0.602 32.299 31.700 -0.005 0.000 0.828 482 R N 1.732 122.278 120.500 0.076 0.000 2.549 482 R HA 0.694 5.029 4.340 -0.009 0.000 0.259 482 R C 0.215 176.456 176.300 -0.098 0.000 1.095 482 R CA -0.934 55.166 56.100 -0.000 0.000 1.148 482 R CB 0.608 30.915 30.300 0.012 0.000 1.181 482 R HN 0.447 nan 8.270 nan 0.000 0.571 483 A N 1.119 123.882 122.820 -0.095 0.000 2.407 483 A HA 0.307 4.622 4.320 -0.009 0.000 0.248 483 A C -0.592 176.974 177.584 -0.031 0.000 1.082 483 A CA -0.277 51.671 52.037 -0.149 0.000 0.785 483 A CB 0.045 18.999 19.000 -0.075 0.000 1.020 483 A HN 0.402 nan 8.150 nan 0.000 0.489 484 F N 2.379 122.303 119.950 -0.044 0.000 2.506 484 F HA 0.296 4.818 4.527 -0.009 0.000 0.351 484 F C -1.131 174.559 175.800 -0.184 0.000 1.136 484 F CA -1.747 56.190 58.000 -0.105 0.000 1.298 484 F CB -0.075 38.822 39.000 -0.172 0.000 1.145 484 F HN 0.415 nan 8.300 nan 0.000 0.593 485 P HA 0.183 nan 4.420 nan 0.000 0.297 485 P C -1.478 175.627 177.300 -0.325 0.000 1.303 485 P CA -0.063 62.995 63.100 -0.069 0.000 0.753 485 P CB 0.785 32.431 31.700 -0.090 0.000 1.281 486 Y N -1.977 118.264 120.300 -0.099 0.000 2.499 486 Y HA 0.472 5.017 4.550 -0.009 0.000 0.347 486 Y C -0.039 175.745 175.900 -0.194 0.000 0.987 486 Y CA -0.960 57.076 58.100 -0.105 0.000 1.044 486 Y CB 1.848 40.291 38.460 -0.028 0.000 1.245 486 Y HN 0.063 nan 8.280 nan 0.000 0.461 487 L N 3.349 124.567 121.223 -0.009 0.000 2.265 487 L HA 0.682 5.017 4.340 -0.009 0.000 0.289 487 L C -1.280 175.588 176.870 -0.004 0.000 1.033 487 L CA -0.511 54.253 54.840 -0.125 0.000 0.814 487 L CB 0.824 42.782 42.059 -0.169 0.000 1.203 487 L HN 0.416 nan 8.230 nan 0.000 0.423 488 V N 5.705 125.573 119.914 -0.076 0.000 2.417 488 V HA 0.391 4.506 4.120 -0.009 0.000 0.291 488 V C -0.393 175.652 176.094 -0.081 0.000 1.024 488 V CA -0.488 61.821 62.300 0.015 0.000 0.861 488 V CB 1.306 33.140 31.823 0.019 0.000 0.985 488 V HN 0.452 nan 8.190 nan 0.000 0.436 489 F N 4.898 124.883 119.950 0.059 0.000 2.421 489 F HA 0.454 4.976 4.527 -0.008 0.000 0.358 489 F C 1.549 177.397 175.800 0.078 0.000 1.115 489 F CA -0.358 57.695 58.000 0.088 0.000 1.160 489 F CB 1.027 40.089 39.000 0.103 0.000 1.123 489 F HN 0.422 nan 8.300 nan 0.000 0.508 490 R N 2.212 122.810 120.500 0.163 0.000 2.173 490 R HA 0.102 4.437 4.340 -0.009 0.000 0.208 490 R C 0.421 176.800 176.300 0.131 0.000 1.035 490 R CA 0.377 56.546 56.100 0.115 0.000 1.004 490 R CB 0.105 30.443 30.300 0.063 0.000 0.917 490 R HN 0.619 nan 8.270 nan 0.000 0.462 491 R N 0.487 121.096 120.500 0.181 0.000 2.774 491 R HA 0.361 4.696 4.340 -0.009 0.000 0.272 491 R C -0.953 175.482 176.300 0.224 0.000 1.000 491 R CA -0.792 55.398 56.100 0.150 0.000 0.906 491 R CB 1.678 32.024 30.300 0.077 0.000 1.227 491 R HN -0.291 nan 8.270 nan 0.000 0.468 492 E N 1.456 121.727 120.200 0.118 0.000 2.243 492 E HA 0.500 4.845 4.350 -0.009 0.000 0.260 492 E C -0.486 176.017 176.600 -0.162 0.000 0.985 492 E CA -1.021 55.432 56.400 0.088 0.000 0.858 492 E CB 1.329 31.074 29.700 0.076 0.000 1.210 492 E HN 0.422 nan 8.360 nan 0.000 0.411 493 R N 0.730 121.009 120.500 -0.368 0.000 2.807 493 R HA 0.183 4.518 4.340 -0.009 0.000 0.276 493 R C 0.743 176.896 176.300 -0.244 0.000 0.979 493 R CA -0.706 55.136 56.100 -0.430 0.000 0.928 493 R CB 1.247 31.041 30.300 -0.843 0.000 1.191 493 R HN 0.547 nan 8.270 nan 0.000 0.471 494 E N 0.816 120.865 120.200 -0.252 0.000 2.150 494 E HA -0.015 4.330 4.350 -0.009 0.000 0.193 494 E C -0.539 175.667 176.600 -0.656 0.000 0.985 494 E CA 1.399 57.530 56.400 -0.448 0.000 0.814 494 E CB 0.156 29.540 29.700 -0.528 0.000 0.752 494 E HN 0.360 nan 8.360 nan 0.000 0.466 495 F N -0.773 119.165 119.950 -0.019 0.000 2.561 495 F HA 0.262 4.784 4.527 -0.009 0.000 0.321 495 F C 0.665 176.535 175.800 0.116 0.000 1.065 495 F CA -1.033 56.989 58.000 0.037 0.000 0.934 495 F CB 1.153 40.171 39.000 0.029 0.000 1.215 495 F HN -0.163 nan 8.300 nan 0.000 0.471 496 L N 1.461 122.902 121.223 0.364 0.000 2.046 496 L HA -0.115 4.220 4.340 -0.009 0.000 0.208 496 L C 1.814 178.911 176.870 0.379 0.000 1.077 496 L CA 2.094 57.154 54.840 0.368 0.000 0.747 496 L CB -0.663 41.512 42.059 0.193 0.000 0.896 496 L HN 0.659 nan 8.230 nan 0.000 0.432 497 E N -0.366 119.992 120.200 0.263 0.000 2.338 497 E HA -0.157 4.188 4.350 -0.009 0.000 0.197 497 E C 1.348 178.063 176.600 0.191 0.000 1.007 497 E CA 0.959 57.475 56.400 0.194 0.000 0.849 497 E CB -0.216 29.555 29.700 0.118 0.000 0.774 497 E HN 0.501 nan 8.360 nan 0.000 0.506 498 D N -0.763 119.754 120.400 0.195 0.000 2.349 498 D HA -0.037 4.598 4.640 -0.009 0.000 0.224 498 D C -0.456 175.851 176.300 0.013 0.000 1.029 498 D CA 0.235 54.288 54.000 0.088 0.000 0.879 498 D CB -0.054 40.785 40.800 0.064 0.000 0.906 498 D HN 0.212 nan 8.370 nan 0.000 0.528 499 Y N 1.444 121.815 120.300 0.118 0.000 2.411 499 Y HA 0.174 4.719 4.550 -0.009 0.000 0.333 499 Y C 1.053 177.008 175.900 0.092 0.000 1.186 499 Y CA 0.232 58.407 58.100 0.124 0.000 1.381 499 Y CB 0.723 39.282 38.460 0.164 0.000 1.273 499 Y HN -0.221 nan 8.280 nan 0.000 0.546 500 E N 1.303 121.634 120.200 0.219 0.000 2.277 500 E HA 0.096 4.441 4.350 -0.009 0.000 0.266 500 E C 0.461 177.121 176.600 0.100 0.000 0.901 500 E CA -0.796 55.676 56.400 0.119 0.000 0.782 500 E CB 1.625 31.366 29.700 0.068 0.000 1.228 500 E HN 0.607 nan 8.360 nan 0.000 0.424 501 E N 1.896 122.111 120.200 0.024 0.000 2.160 501 E HA -0.159 4.186 4.350 -0.009 0.000 0.195 501 E C 1.553 178.165 176.600 0.019 0.000 0.991 501 E CA 1.403 57.789 56.400 -0.023 0.000 0.810 501 E CB -0.146 29.492 29.700 -0.103 0.000 0.742 501 E HN 0.814 nan 8.360 nan 0.000 0.466 502 G N 0.448 109.266 108.800 0.030 0.000 2.559 502 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.216 502 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.216 502 G C 1.045 175.974 174.900 0.049 0.000 1.126 502 G CA 0.550 45.671 45.100 0.036 0.000 0.778 502 G HN 0.200 nan 8.290 nan 0.000 0.543 503 D N 0.109 120.556 120.400 0.080 0.000 2.323 503 D HA 0.073 4.708 4.640 -0.009 0.000 0.209 503 D C 1.491 177.821 176.300 0.051 0.000 0.973 503 D CA 0.462 54.535 54.000 0.121 0.000 0.874 503 D CB 0.130 41.087 40.800 0.262 0.000 0.930 503 D HN 0.495 nan 8.370 nan 0.000 0.521 504 M N -1.068 118.497 119.600 -0.057 0.000 2.518 504 M HA 0.571 5.046 4.480 -0.009 0.000 0.300 504 M C -1.022 175.210 176.300 -0.112 0.000 1.175 504 M CA -0.754 54.392 55.300 -0.257 0.000 0.890 504 M CB 3.343 35.564 32.600 -0.631 0.000 1.710 504 M HN -0.369 nan 8.290 nan 0.000 0.453 505 E N 1.695 121.807 120.200 -0.148 0.000 2.246 505 E HA 0.517 4.862 4.350 -0.009 0.000 0.266 505 E C -1.726 174.774 176.600 -0.166 0.000 0.880 505 E CA -0.788 55.558 56.400 -0.090 0.000 0.762 505 E CB 2.779 32.455 29.700 -0.040 0.000 1.180 505 E HN 0.688 nan 8.360 nan 0.000 0.416 506 V N 6.531 126.302 119.914 -0.239 0.000 2.389 506 V HA 0.199 4.314 4.120 -0.009 0.000 0.264 506 V C 0.306 176.317 176.094 -0.139 0.000 1.049 506 V CA -0.230 61.859 62.300 -0.350 0.000 0.932 506 V CB -0.133 31.277 31.823 -0.688 0.000 1.011 506 V HN 0.483 nan 8.190 nan 0.000 0.475 507 I N 1.514 122.051 120.570 -0.055 0.000 2.392 507 I HA 0.597 4.762 4.170 -0.009 0.000 0.295 507 I C 0.201 176.370 176.117 0.086 0.000 0.985 507 I CA -0.435 60.883 61.300 0.029 0.000 1.221 507 I CB 1.117 39.145 38.000 0.046 0.000 1.366 507 I HN 0.526 nan 8.210 nan 0.000 0.467 508 D N 2.916 123.369 120.400 0.087 0.000 2.746 508 D HA -0.267 4.368 4.640 -0.009 0.000 0.236 508 D C -0.901 175.487 176.300 0.147 0.000 1.129 508 D CA 0.838 54.900 54.000 0.104 0.000 0.691 508 D CB -1.055 39.819 40.800 0.125 0.000 1.077 508 D HN 0.688 nan 8.370 nan 0.000 0.432 509 Y N 0.973 121.256 120.300 -0.029 0.000 2.452 509 Y HA 0.441 4.986 4.550 -0.009 0.000 0.348 509 Y C -0.025 175.867 175.900 -0.014 0.000 0.985 509 Y CA -1.172 56.907 58.100 -0.035 0.000 1.214 509 Y CB 0.741 39.150 38.460 -0.085 0.000 1.136 509 Y HN 0.132 nan 8.280 nan 0.000 0.523 510 A N 9.554 132.246 122.820 -0.213 0.000 3.105 510 A HA 0.451 4.765 4.320 -0.009 0.000 0.336 510 A C -2.769 174.597 177.584 -0.362 0.000 1.042 510 A CA -1.401 50.471 52.037 -0.275 0.000 0.851 510 A CB -0.417 18.503 19.000 -0.133 0.000 1.068 510 A HN 0.539 nan 8.150 nan 0.000 0.477 511 P HA 0.234 nan 4.420 nan 0.000 0.276 511 P C -0.666 176.543 177.300 -0.151 0.000 1.252 511 P CA -0.134 62.768 63.100 -0.330 0.000 0.802 511 P CB 0.603 32.027 31.700 -0.460 0.000 1.035 512 Y N 0.475 120.728 120.300 -0.079 0.000 2.480 512 Y HA 0.167 4.711 4.550 -0.009 0.000 0.338 512 Y C -1.264 174.618 175.900 -0.030 0.000 1.220 512 Y CA -1.028 57.051 58.100 -0.035 0.000 1.430 512 Y CB -1.031 37.428 38.460 -0.001 0.000 1.311 512 Y HN 0.325 nan 8.280 nan 0.000 0.575 513 P HA 0.051 nan 4.420 nan 0.000 0.270 513 P C -2.462 174.898 177.300 0.099 0.000 1.223 513 P CA -0.947 62.202 63.100 0.083 0.000 0.785 513 P CB -0.129 31.609 31.700 0.064 0.000 0.923 514 P HA 0.057 nan 4.420 nan 0.000 0.272 514 P C -1.148 176.179 177.300 0.045 0.000 1.223 514 P CA -0.139 62.992 63.100 0.050 0.000 0.784 514 P CB 0.649 32.369 31.700 0.032 0.000 0.923 515 I N 0.000 120.589 120.570 0.032 0.000 2.984 515 I HA 0.000 4.165 4.170 -0.009 0.000 0.288 515 I CA 0.000 61.315 61.300 0.025 0.000 1.566 515 I CB 0.000 38.008 38.000 0.013 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494