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 1tqv_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS 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 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.103 174.090 0.022 0.000 1.270 31 c CA 0.000 56.337 56.329 0.013 0.000 1.963 31 c CB 0.000 42.504 42.510 -0.010 0.000 2.134 32 Q N 1.472 121.301 119.800 0.049 0.000 2.395 32 Q HA 0.119 4.459 4.340 -0.001 0.000 0.271 32 Q C -0.170 175.859 176.000 0.049 0.000 1.026 32 Q CA 0.530 56.377 55.803 0.074 0.000 0.900 32 Q CB 0.780 29.602 28.738 0.140 0.000 1.266 32 Q HN 0.675 nan 8.270 nan 0.000 0.430 33 D N 1.482 121.914 120.400 0.054 0.000 2.316 33 D HA 0.088 4.727 4.640 -0.001 0.000 0.245 33 D C 0.392 176.736 176.300 0.073 0.000 1.171 33 D CA -0.291 53.720 54.000 0.019 0.000 0.856 33 D CB 1.302 42.114 40.800 0.021 0.000 1.090 33 D HN 0.359 nan 8.370 nan 0.000 0.476 34 V N 2.126 122.034 119.914 -0.009 0.000 3.596 34 V HA 0.117 4.236 4.120 -0.001 0.000 0.289 34 V C 1.041 177.171 176.094 0.061 0.000 1.336 34 V CA 0.050 62.406 62.300 0.093 0.000 1.137 34 V CB 0.180 31.891 31.823 -0.186 0.000 0.966 34 V HN 0.388 nan 8.190 nan 0.000 0.428 35 V N 0.135 120.005 119.914 -0.072 0.000 2.911 35 V HA 0.071 4.190 4.120 -0.001 0.000 0.237 35 V C 2.312 178.389 176.094 -0.028 0.000 1.156 35 V CA 1.283 63.499 62.300 -0.141 0.000 1.180 35 V CB -0.050 31.643 31.823 -0.217 0.000 0.932 35 V HN 0.489 nan 8.190 nan 0.000 0.483 36 Q N 0.023 119.849 119.800 0.043 0.000 2.392 36 Q HA 0.103 4.443 4.340 -0.001 0.000 0.203 36 Q C -0.490 175.597 176.000 0.145 0.000 0.917 36 Q CA 0.386 56.240 55.803 0.085 0.000 0.939 36 Q CB 0.396 29.156 28.738 0.036 0.000 1.063 36 Q HN 0.515 nan 8.270 nan 0.000 0.516 37 D N 1.162 121.678 120.400 0.193 0.000 2.414 37 D HA 0.179 4.818 4.640 -0.001 0.000 0.232 37 D C -0.711 175.699 176.300 0.184 0.000 1.070 37 D CA -0.327 53.769 54.000 0.160 0.000 0.839 37 D CB 2.176 43.048 40.800 0.120 0.000 1.079 37 D HN -0.175 nan 8.370 nan 0.000 0.521 38 V N 4.558 124.543 119.914 0.119 0.000 2.446 38 V HA 0.120 4.239 4.120 -0.001 0.000 0.276 38 V C -1.852 174.218 176.094 -0.041 0.000 1.030 38 V CA -1.136 61.154 62.300 -0.015 0.000 1.033 38 V CB 0.338 32.158 31.823 -0.005 0.000 0.993 38 V HN 0.306 nan 8.190 nan 0.000 0.477 39 P HA 0.039 nan 4.420 nan 0.000 0.266 39 P C -0.395 176.877 177.300 -0.047 0.000 1.195 39 P CA 0.016 63.086 63.100 -0.051 0.000 0.768 39 P CB 0.324 31.976 31.700 -0.081 0.000 0.838 40 N N 2.887 121.575 118.700 -0.020 0.000 2.462 40 N HA 0.341 5.081 4.740 -0.001 0.000 0.242 40 N C -1.113 174.389 175.510 -0.013 0.000 1.010 40 N CA -0.480 52.561 53.050 -0.015 0.000 0.939 40 N CB 0.153 38.640 38.487 -0.000 0.000 1.127 40 N HN 0.109 nan 8.380 nan 0.000 0.509 41 V N 0.431 120.330 119.914 -0.024 0.000 3.001 41 V HA 0.539 4.659 4.120 -0.001 0.000 0.314 41 V C 0.583 176.664 176.094 -0.021 0.000 1.099 41 V CA -0.751 61.539 62.300 -0.018 0.000 0.989 41 V CB 2.029 33.832 31.823 -0.034 0.000 1.040 41 V HN 0.403 nan 8.190 nan 0.000 0.434 42 D N 0.894 121.289 120.400 -0.009 0.000 2.144 42 D HA 0.011 4.650 4.640 -0.001 0.000 0.200 42 D C 0.499 176.772 176.300 -0.046 0.000 0.978 42 D CA 1.662 55.655 54.000 -0.013 0.000 0.833 42 D CB 0.446 41.255 40.800 0.015 0.000 0.961 42 D HN 0.427 nan 8.370 nan 0.000 0.470 43 V N 1.400 121.265 119.914 -0.082 0.000 2.525 43 V HA 0.219 4.338 4.120 -0.001 0.000 0.299 43 V C -0.369 175.634 176.094 -0.153 0.000 1.034 43 V CA -0.752 61.470 62.300 -0.129 0.000 0.863 43 V CB 2.424 34.124 31.823 -0.204 0.000 0.999 43 V HN -0.083 nan 8.190 nan 0.000 0.423 44 Q N 4.627 124.349 119.800 -0.130 0.000 2.339 44 Q HA 0.424 4.764 4.340 -0.001 0.000 0.268 44 Q C 0.482 176.391 176.000 -0.152 0.000 1.027 44 Q CA -0.704 55.015 55.803 -0.140 0.000 0.759 44 Q CB 1.856 30.531 28.738 -0.105 0.000 1.244 44 Q HN 0.686 nan 8.270 nan 0.000 0.464 45 M N 2.962 122.425 119.600 -0.229 0.000 2.144 45 M HA -0.197 4.282 4.480 -0.001 0.000 0.260 45 M C 1.612 177.810 176.300 -0.170 0.000 1.067 45 M CA 1.172 56.321 55.300 -0.252 0.000 1.095 45 M CB -0.897 31.417 32.600 -0.477 0.000 1.365 45 M HN 0.579 nan 8.290 nan 0.000 0.406 46 L N 0.494 121.612 121.223 -0.174 0.000 2.093 46 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 46 L C 2.477 179.342 176.870 -0.007 0.000 1.085 46 L CA 1.770 56.539 54.840 -0.119 0.000 0.755 46 L CB -0.644 41.319 42.059 -0.160 0.000 0.904 46 L HN 0.266 nan 8.230 nan 0.000 0.435 47 E N -0.324 119.858 120.200 -0.030 0.000 2.072 47 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 47 E C 2.195 178.814 176.600 0.032 0.000 0.985 47 E CA 1.485 57.882 56.400 -0.004 0.000 0.801 47 E CB -0.302 29.380 29.700 -0.029 0.000 0.750 47 E HN 0.448 nan 8.360 nan 0.000 0.452 48 L N 0.473 121.715 121.223 0.032 0.000 2.046 48 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 48 L C 2.265 179.217 176.870 0.135 0.000 1.077 48 L CA 1.645 56.514 54.840 0.048 0.000 0.747 48 L CB -0.905 41.168 42.059 0.024 0.000 0.896 48 L HN 0.115 nan 8.230 nan 0.000 0.432 49 Y N -0.038 120.278 120.300 0.026 0.000 2.224 49 Y HA -0.242 4.307 4.550 -0.001 0.000 0.289 49 Y C 2.546 178.550 175.900 0.173 0.000 1.146 49 Y CA 1.725 59.931 58.100 0.176 0.000 1.182 49 Y CB -0.636 37.913 38.460 0.150 0.000 0.983 49 Y HN 0.366 nan 8.280 nan 0.000 0.524 50 D N -0.554 119.965 120.400 0.199 0.000 2.144 50 D HA -0.128 4.511 4.640 -0.001 0.000 0.199 50 D C 2.173 178.520 176.300 0.078 0.000 0.984 50 D CA 1.222 55.289 54.000 0.111 0.000 0.834 50 D CB 0.027 40.865 40.800 0.065 0.000 0.955 50 D HN 0.195 nan 8.370 nan 0.000 0.465 51 R N -1.043 119.489 120.500 0.054 0.000 2.100 51 R HA 0.158 4.498 4.340 -0.001 0.000 0.220 51 R C 0.805 177.099 176.300 -0.010 0.000 1.091 51 R CA 0.099 56.207 56.100 0.013 0.000 0.986 51 R CB 0.035 30.327 30.300 -0.013 0.000 0.888 51 R HN 0.231 nan 8.270 nan 0.000 0.444 52 M N 0.185 119.756 119.600 -0.049 0.000 2.252 52 M HA -0.056 4.424 4.480 -0.001 0.000 0.333 52 M C 1.082 177.360 176.300 -0.036 0.000 1.111 52 M CA 0.488 55.670 55.300 -0.196 0.000 1.140 52 M CB 1.156 33.374 32.600 -0.636 0.000 1.538 52 M HN -0.027 nan 8.290 nan 0.000 0.448 53 S N 1.044 116.692 115.700 -0.087 0.000 2.486 53 S HA 0.148 4.617 4.470 -0.001 0.000 0.220 53 S C 0.192 174.916 174.600 0.205 0.000 1.011 53 S CA -0.104 58.137 58.200 0.069 0.000 0.921 53 S CB -0.056 63.151 63.200 0.011 0.000 0.785 53 S HN 0.709 nan 8.310 nan 0.000 0.517 54 F N 1.172 121.052 119.950 -0.116 0.000 3.093 54 F HA -0.189 4.337 4.527 -0.001 0.000 0.287 54 F C 0.188 176.007 175.800 0.030 0.000 0.882 54 F CA 0.189 58.129 58.000 -0.101 0.000 1.063 54 F CB -1.607 37.301 39.000 -0.154 0.000 1.097 54 F HN -0.021 nan 8.300 nan 0.000 0.604 55 K N 1.113 121.593 120.400 0.134 0.000 2.368 55 K HA 0.171 4.490 4.320 -0.001 0.000 0.282 55 K C 0.230 176.942 176.600 0.186 0.000 1.035 55 K CA -0.163 56.208 56.287 0.140 0.000 0.973 55 K CB 0.615 33.158 32.500 0.071 0.000 0.957 55 K HN 0.084 nan 8.250 nan 0.000 0.474 56 D N 3.773 124.295 120.400 0.204 0.000 2.524 56 D HA 0.163 4.802 4.640 -0.001 0.000 0.222 56 D C -0.208 176.131 176.300 0.065 0.000 1.142 56 D CA -0.474 53.644 54.000 0.196 0.000 0.973 56 D CB -0.499 40.428 40.800 0.212 0.000 1.025 56 D HN 0.496 nan 8.370 nan 0.000 0.519 57 I N -1.197 119.397 120.570 0.041 0.000 2.607 57 I HA 0.498 4.667 4.170 -0.001 0.000 0.305 57 I C -0.001 176.099 176.117 -0.027 0.000 0.995 57 I CA -0.959 60.345 61.300 0.005 0.000 1.148 57 I CB 1.596 39.600 38.000 0.008 0.000 1.323 57 I HN -0.119 nan 8.210 nan 0.000 0.461 58 D N 4.085 124.468 120.400 -0.027 0.000 2.349 58 D HA 0.141 4.780 4.640 -0.001 0.000 0.266 58 D C 0.976 177.258 176.300 -0.030 0.000 1.293 58 D CA 0.178 54.157 54.000 -0.035 0.000 0.926 58 D CB 1.347 42.135 40.800 -0.020 0.000 1.090 58 D HN 0.832 nan 8.370 nan 0.000 0.502 59 G N 2.469 111.233 108.800 -0.060 0.000 3.088 59 G HA2 0.422 4.382 3.960 -0.001 0.000 0.212 59 G HA3 0.422 4.382 3.960 -0.001 0.000 0.212 59 G C 0.892 175.790 174.900 -0.005 0.000 1.173 59 G CA 0.358 45.427 45.100 -0.052 0.000 0.779 59 G HN 0.903 nan 8.290 nan 0.000 0.540 60 G N -0.617 108.185 108.800 0.005 0.000 2.445 60 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.212 60 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.212 60 G C 1.190 176.110 174.900 0.034 0.000 1.217 60 G CA 0.661 45.777 45.100 0.027 0.000 1.002 60 G HN 1.099 nan 8.290 nan 0.000 0.574 61 V N -3.634 116.299 119.914 0.031 0.000 2.392 61 V HA 0.020 4.139 4.120 -0.001 0.000 0.249 61 V C 1.490 177.611 176.094 0.045 0.000 1.059 61 V CA 2.507 64.808 62.300 0.002 0.000 1.051 61 V CB -0.605 31.186 31.823 -0.054 0.000 0.658 61 V HN 1.468 nan 8.190 nan 0.000 0.455 62 W N 2.645 123.853 121.300 -0.152 0.000 2.365 62 W HA 0.447 5.106 4.660 -0.001 0.000 0.371 62 W C 1.101 177.575 176.519 -0.074 0.000 1.006 62 W CA -1.862 55.380 57.345 -0.173 0.000 1.528 62 W CB 0.177 29.503 29.460 -0.225 0.000 1.497 62 W HN 0.052 nan 8.180 nan 0.000 0.367 63 K N 2.619 123.097 120.400 0.131 0.000 2.160 63 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 63 K C 0.897 177.416 176.600 -0.136 0.000 1.047 63 K CA 1.564 57.842 56.287 -0.016 0.000 0.930 63 K CB 0.044 32.532 32.500 -0.020 0.000 0.720 63 K HN 0.581 nan 8.250 nan 0.000 0.450 64 Q N -0.819 118.865 119.800 -0.192 0.000 2.188 64 Q HA 0.177 4.517 4.340 -0.001 0.000 0.212 64 Q C 0.841 176.477 176.000 -0.607 0.000 0.846 64 Q CA -0.247 55.410 55.803 -0.244 0.000 0.989 64 Q CB 1.264 30.001 28.738 -0.001 0.000 1.114 64 Q HN 0.251 nan 8.270 nan 0.000 0.488 65 G N 0.598 108.607 108.800 -1.318 0.000 3.364 65 G HA2 0.518 4.478 3.960 -0.001 0.000 0.191 65 G HA3 0.518 4.478 3.960 -0.001 0.000 0.191 65 G C -1.442 173.141 174.900 -0.528 0.000 1.352 65 G CA -0.242 43.828 45.100 -1.717 0.000 0.758 65 G HN 0.356 nan 8.290 nan 0.000 0.730 66 W N -1.233 119.760 121.300 -0.512 0.000 2.959 66 W HA 0.620 5.280 4.660 -0.001 0.000 0.358 66 W C -1.486 175.106 176.519 0.121 0.000 1.228 66 W CA -1.171 56.105 57.345 -0.115 0.000 1.183 66 W CB 0.566 29.977 29.460 -0.082 0.000 1.467 66 W HN 0.199 nan 8.180 nan 0.000 0.578 67 N N 2.157 121.028 118.700 0.284 0.000 2.405 67 N HA 0.220 4.959 4.740 -0.001 0.000 0.260 67 N C -0.258 175.412 175.510 0.267 0.000 1.152 67 N CA 0.051 53.217 53.050 0.193 0.000 0.948 67 N CB 0.517 39.108 38.487 0.172 0.000 1.111 67 N HN 0.402 nan 8.380 nan 0.000 0.485 68 I N 2.115 122.745 120.570 0.101 0.000 2.588 68 I HA 0.046 4.215 4.170 -0.001 0.000 0.283 68 I C 0.725 177.009 176.117 0.279 0.000 1.119 68 I CA 0.234 61.667 61.300 0.222 0.000 1.419 68 I CB 0.495 38.572 38.000 0.128 0.000 1.394 68 I HN 0.149 nan 8.210 nan 0.000 0.562 69 K N 5.815 126.409 120.400 0.323 0.000 2.318 69 K HA 0.614 4.933 4.320 -0.001 0.000 0.249 69 K C -1.351 175.409 176.600 0.267 0.000 0.942 69 K CA -0.658 55.744 56.287 0.191 0.000 0.808 69 K CB 2.330 34.908 32.500 0.130 0.000 1.189 69 K HN 0.481 nan 8.250 nan 0.000 0.428 70 Y N -2.008 118.383 120.300 0.151 0.000 2.615 70 Y HA 0.487 5.036 4.550 -0.001 0.000 0.341 70 Y C -1.208 174.763 175.900 0.119 0.000 1.089 70 Y CA -1.572 56.618 58.100 0.149 0.000 1.049 70 Y CB 1.160 39.730 38.460 0.183 0.000 1.296 70 Y HN 0.410 nan 8.280 nan 0.000 0.470 71 D N 3.472 124.033 120.400 0.267 0.000 2.359 71 D HA 0.314 4.953 4.640 -0.001 0.000 0.230 71 D C -1.646 174.818 176.300 0.273 0.000 1.118 71 D CA -2.827 51.267 54.000 0.157 0.000 0.844 71 D CB 1.509 42.369 40.800 0.100 0.000 1.059 71 D HN 0.411 nan 8.370 nan 0.000 0.493 72 P HA -0.146 nan 4.420 nan 0.000 0.220 72 P C 1.324 178.766 177.300 0.237 0.000 1.144 72 P CA 0.784 64.077 63.100 0.321 0.000 0.800 72 P CB 0.330 32.156 31.700 0.211 0.000 0.772 73 L N -0.733 120.578 121.223 0.147 0.000 2.599 73 L HA 0.055 4.395 4.340 -0.001 0.000 0.230 73 L C 2.685 179.593 176.870 0.063 0.000 1.141 73 L CA 0.487 55.389 54.840 0.103 0.000 0.877 73 L CB -0.715 41.383 42.059 0.064 0.000 1.009 73 L HN -0.001 nan 8.230 nan 0.000 0.447 74 K N 0.614 121.032 120.400 0.030 0.000 2.063 74 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 74 K C -0.004 176.444 176.600 -0.253 0.000 1.048 74 K CA 1.205 57.389 56.287 -0.171 0.000 0.928 74 K CB 0.056 32.380 32.500 -0.294 0.000 0.713 74 K HN 0.119 nan 8.250 nan 0.000 0.442 75 Y N 0.664 121.086 120.300 0.203 0.000 2.387 75 Y HA 0.226 4.776 4.550 -0.000 0.000 0.336 75 Y C 0.023 176.008 175.900 0.142 0.000 1.067 75 Y CA -0.960 57.258 58.100 0.195 0.000 1.114 75 Y CB 1.480 40.008 38.460 0.112 0.000 1.208 75 Y HN 0.278 nan 8.280 nan 0.000 0.458 76 N N -0.385 118.476 118.700 0.268 0.000 3.277 76 N HA 0.467 5.206 4.740 -0.001 0.000 0.278 76 N C 0.077 175.627 175.510 0.066 0.000 1.544 76 N CA -0.390 52.748 53.050 0.147 0.000 0.869 76 N CB 0.320 38.883 38.487 0.128 0.000 1.584 76 N HN 0.487 nan 8.380 nan 0.000 0.564 77 A N -0.746 122.037 122.820 -0.062 0.000 1.958 77 A HA -0.220 4.100 4.320 -0.001 0.000 0.221 77 A C 1.109 178.503 177.584 -0.318 0.000 1.178 77 A CA 1.933 53.824 52.037 -0.243 0.000 0.642 77 A CB -1.309 17.443 19.000 -0.413 0.000 0.816 77 A HN 0.756 nan 8.150 nan 0.000 0.453 78 H N -3.181 115.945 119.070 0.094 0.000 2.551 78 H HA 0.208 4.764 4.556 -0.001 0.000 0.271 78 H C 0.327 175.758 175.328 0.172 0.000 0.984 78 H CA 0.469 56.577 56.048 0.100 0.000 1.164 78 H CB 0.261 30.070 29.762 0.079 0.000 1.437 78 H HN 0.611 nan 8.280 nan 0.000 0.550 79 H N 0.834 119.983 119.070 0.132 0.000 2.852 79 H HA 0.238 4.794 4.556 -0.000 0.000 0.274 79 H C -0.886 174.580 175.328 0.229 0.000 1.321 79 H CA -0.395 55.746 56.048 0.154 0.000 1.582 79 H CB 0.305 30.143 29.762 0.128 0.000 1.699 79 H HN 0.178 nan 8.280 nan 0.000 0.546 80 K N 2.217 122.584 120.400 -0.054 0.000 2.090 80 K HA 0.212 4.531 4.320 -0.001 0.000 0.249 80 K C -0.369 176.074 176.600 -0.262 0.000 0.995 80 K CA -1.128 55.109 56.287 -0.083 0.000 0.914 80 K CB 1.902 34.332 32.500 -0.117 0.000 1.057 80 K HN 0.168 nan 8.250 nan 0.000 0.462 81 L N 2.524 123.460 121.223 -0.479 0.000 2.261 81 L HA 0.194 4.534 4.340 -0.001 0.000 0.289 81 L C -0.607 175.987 176.870 -0.459 0.000 1.059 81 L CA -0.240 54.188 54.840 -0.688 0.000 0.816 81 L CB 0.295 41.738 42.059 -1.026 0.000 1.191 81 L HN 0.302 nan 8.230 nan 0.000 0.431 82 K N 4.081 124.239 120.400 -0.404 0.000 2.276 82 K HA 0.506 4.826 4.320 -0.001 0.000 0.285 82 K C -1.388 174.845 176.600 -0.612 0.000 1.062 82 K CA -0.250 55.744 56.287 -0.488 0.000 0.918 82 K CB 0.820 33.077 32.500 -0.406 0.000 1.055 82 K HN 0.436 nan 8.250 nan 0.000 0.477 83 V N 6.187 125.634 119.914 -0.780 0.000 2.417 83 V HA 0.468 4.588 4.120 -0.001 0.000 0.291 83 V C -0.793 174.744 176.094 -0.928 0.000 1.024 83 V CA -0.681 61.114 62.300 -0.843 0.000 0.861 83 V CB 0.894 32.050 31.823 -1.113 0.000 0.985 83 V HN 0.600 nan 8.190 nan 0.000 0.436 84 F N 3.469 123.159 119.950 -0.433 0.000 2.375 84 F HA 0.505 5.031 4.527 -0.001 0.000 0.361 84 F C 0.104 175.719 175.800 -0.308 0.000 1.117 84 F CA -0.795 57.010 58.000 -0.325 0.000 1.037 84 F CB 1.846 40.728 39.000 -0.196 0.000 1.192 84 F HN 0.188 nan 8.300 nan 0.000 0.452 85 V N 5.190 125.074 119.914 -0.050 0.000 2.385 85 V HA 0.262 4.381 4.120 -0.001 0.000 0.269 85 V C -0.214 175.979 176.094 0.166 0.000 1.043 85 V CA -0.634 61.699 62.300 0.053 0.000 0.906 85 V CB 1.239 33.171 31.823 0.182 0.000 0.995 85 V HN 0.428 nan 8.190 nan 0.000 0.467 86 V N 8.272 128.233 119.914 0.079 0.000 2.293 86 V HA 0.311 4.431 4.120 -0.001 0.000 0.275 86 V C -2.362 173.773 176.094 0.068 0.000 1.021 86 V CA -2.015 60.302 62.300 0.028 0.000 0.815 86 V CB 1.313 33.064 31.823 -0.120 0.000 1.025 86 V HN 0.714 nan 8.190 nan 0.000 0.448 87 P HA 0.317 nan 4.420 nan 0.000 0.271 87 P C -0.829 176.480 177.300 0.015 0.000 1.216 87 P CA 0.285 63.348 63.100 -0.063 0.000 0.771 87 P CB 0.322 31.780 31.700 -0.403 0.000 0.864 88 H N -1.000 118.092 119.070 0.036 0.000 3.017 88 H HA 0.787 5.343 4.556 -0.001 0.000 0.346 88 H C -1.488 173.962 175.328 0.203 0.000 1.286 88 H CA -1.123 54.852 56.048 -0.121 0.000 1.120 88 H CB 0.987 30.615 29.762 -0.223 0.000 1.860 88 H HN 0.193 nan 8.280 nan 0.000 0.542 89 S N 0.745 116.479 115.700 0.058 0.000 2.736 89 S HA 0.208 4.677 4.470 -0.001 0.000 0.285 89 S C -1.774 172.755 174.600 -0.118 0.000 1.163 89 S CA -0.676 57.594 58.200 0.117 0.000 1.025 89 S CB 0.206 63.661 63.200 0.426 0.000 1.030 89 S HN 0.831 nan 8.310 nan 0.000 0.486 90 H N 4.532 123.506 119.070 -0.159 0.000 3.015 90 H HA 0.388 4.944 4.556 -0.001 0.000 0.268 90 H C -0.083 174.816 175.328 -0.716 0.000 1.113 90 H CA 0.358 56.210 56.048 -0.326 0.000 1.479 90 H CB 0.105 29.723 29.762 -0.239 0.000 1.493 90 H HN 0.555 nan 8.280 nan 0.000 0.486 91 N N 5.532 123.574 118.700 -1.095 0.000 2.558 91 N HA 0.052 4.791 4.740 -0.001 0.000 0.242 91 N C -1.114 173.953 175.510 -0.738 0.000 0.979 91 N CA -0.597 51.646 53.050 -1.345 0.000 0.931 91 N CB 1.016 39.008 38.487 -0.826 0.000 1.122 91 N HN 0.634 nan 8.380 nan 0.000 0.508 92 D N 2.611 122.642 120.400 -0.616 0.000 2.343 92 D HA 0.106 4.745 4.640 -0.001 0.000 0.255 92 D C -2.075 174.305 176.300 0.134 0.000 1.187 92 D CA -0.934 52.961 54.000 -0.175 0.000 0.875 92 D CB 1.429 42.389 40.800 0.268 0.000 1.136 92 D HN 0.182 nan 8.370 nan 0.000 0.469 93 P HA 0.195 nan 4.420 nan 0.000 0.230 93 P C -0.064 177.448 177.300 0.354 0.000 1.791 93 P CA 0.068 63.197 63.100 0.049 0.000 1.020 93 P CB 0.219 31.800 31.700 -0.199 0.000 1.977 94 G N 0.445 109.645 108.800 0.667 0.000 2.784 94 G HA2 0.025 3.984 3.960 -0.001 0.000 0.686 94 G HA3 0.025 3.984 3.960 -0.001 0.000 0.686 94 G C -1.099 174.356 174.900 0.924 0.000 1.156 94 G CA -0.607 44.914 45.100 0.701 0.000 0.757 94 G HN 0.354 nan 8.290 nan 0.000 0.642 95 W N 1.741 123.379 121.300 0.563 0.000 4.506 95 W HA 0.193 4.852 4.660 -0.001 0.000 0.159 95 W C 1.414 178.116 176.519 0.305 0.000 3.471 95 W CA 1.662 59.312 57.345 0.510 0.000 1.165 95 W CB -1.000 28.853 29.460 0.654 0.000 2.094 95 W HN 1.035 nan 8.180 nan 0.000 0.385 96 I N 1.006 121.567 120.570 -0.014 0.000 3.860 96 I HA 0.345 4.514 4.170 -0.001 0.000 0.319 96 I C 0.318 176.307 176.117 -0.215 0.000 1.279 96 I CA 0.757 61.870 61.300 -0.312 0.000 1.220 96 I CB -0.299 37.378 38.000 -0.538 0.000 1.027 96 I HN -0.156 nan 8.210 nan 0.000 0.428 97 Q N 1.342 120.865 119.800 -0.461 0.000 2.451 97 Q HA 0.463 4.802 4.340 -0.001 0.000 0.281 97 Q C -0.227 175.501 176.000 -0.454 0.000 1.099 97 Q CA -0.251 55.202 55.803 -0.582 0.000 0.806 97 Q CB 2.352 30.396 28.738 -1.157 0.000 1.419 97 Q HN 0.404 nan 8.270 nan 0.000 0.427 98 T N -2.211 112.195 114.554 -0.245 0.000 2.766 98 T HA 0.194 4.544 4.350 -0.001 0.000 0.295 98 T C 1.141 175.905 174.700 0.108 0.000 1.024 98 T CA -0.440 61.590 62.100 -0.117 0.000 1.018 98 T CB 0.266 69.097 68.868 -0.061 0.000 1.002 98 T HN 0.507 nan 8.240 nan 0.000 0.532 99 F N 1.229 121.233 119.950 0.090 0.000 2.063 99 F HA -0.143 4.383 4.527 -0.001 0.000 0.298 99 F C 2.480 178.453 175.800 0.288 0.000 1.109 99 F CA 2.397 60.529 58.000 0.220 0.000 1.212 99 F CB -0.423 38.598 39.000 0.035 0.000 0.973 99 F HN 0.781 nan 8.300 nan 0.000 0.480 100 E N 0.411 120.810 120.200 0.331 0.000 2.110 100 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 100 E C 2.019 178.657 176.600 0.063 0.000 0.988 100 E CA 1.835 58.368 56.400 0.221 0.000 0.804 100 E CB -0.301 29.530 29.700 0.218 0.000 0.745 100 E HN 0.633 nan 8.360 nan 0.000 0.458 101 E N -1.068 119.097 120.200 -0.058 0.000 2.051 101 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 101 E C 1.876 178.216 176.600 -0.433 0.000 0.991 101 E CA 1.129 57.303 56.400 -0.377 0.000 0.799 101 E CB -0.260 29.281 29.700 -0.265 0.000 0.748 101 E HN 0.340 nan 8.360 nan 0.000 0.449 102 Y N -0.406 119.807 120.300 -0.145 0.000 2.181 102 Y HA -0.255 4.295 4.550 -0.001 0.000 0.288 102 Y C 2.219 178.041 175.900 -0.131 0.000 1.146 102 Y CA 1.203 59.210 58.100 -0.154 0.000 1.164 102 Y CB -0.754 37.712 38.460 0.010 0.000 0.982 102 Y HN 0.183 nan 8.280 nan 0.000 0.515 103 Y N 0.809 121.120 120.300 0.018 0.000 2.145 103 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 103 Y C 2.296 178.160 175.900 -0.060 0.000 1.145 103 Y CA 1.859 59.928 58.100 -0.052 0.000 1.148 103 Y CB -0.334 38.087 38.460 -0.065 0.000 0.981 103 Y HN 0.051 nan 8.280 nan 0.000 0.507 104 Q N -0.529 119.195 119.800 -0.128 0.000 2.079 104 Q HA -0.172 4.168 4.340 -0.001 0.000 0.200 104 Q C 2.093 178.104 176.000 0.018 0.000 0.974 104 Q CA 2.201 57.919 55.803 -0.141 0.000 0.840 104 Q CB -0.601 28.119 28.738 -0.031 0.000 0.898 104 Q HN 0.785 nan 8.270 nan 0.000 0.430 105 H N -0.837 118.254 119.070 0.037 0.000 2.497 105 H HA 0.066 4.621 4.556 -0.001 0.000 0.282 105 H C 0.877 176.309 175.328 0.174 0.000 1.003 105 H CA 0.523 56.632 56.048 0.101 0.000 1.307 105 H CB 0.673 30.459 29.762 0.040 0.000 1.437 105 H HN 0.206 nan 8.280 nan 0.000 0.544 106 D N -0.855 119.659 120.400 0.190 0.000 3.081 106 D HA 0.002 4.642 4.640 -0.001 0.000 0.243 106 D C 1.797 178.159 176.300 0.103 0.000 1.388 106 D CA 0.504 54.609 54.000 0.175 0.000 1.245 106 D CB -0.057 40.757 40.800 0.025 0.000 1.319 106 D HN 0.050 nan 8.370 nan 0.000 0.377 107 T N 2.715 117.254 114.554 -0.024 0.000 2.720 107 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 107 T C 1.925 176.452 174.700 -0.287 0.000 1.037 107 T CA 1.747 63.785 62.100 -0.103 0.000 1.144 107 T CB -0.196 68.477 68.868 -0.326 0.000 0.864 107 T HN 0.265 nan 8.240 nan 0.000 0.444 108 K N 0.637 120.674 120.400 -0.605 0.000 2.211 108 K HA -0.144 4.176 4.320 -0.001 0.000 0.203 108 K C 1.937 178.272 176.600 -0.442 0.000 1.050 108 K CA 1.388 57.309 56.287 -0.610 0.000 0.945 108 K CB -0.348 31.605 32.500 -0.912 0.000 0.732 108 K HN 0.415 nan 8.250 nan 0.000 0.451 109 H N 1.064 120.065 119.070 -0.114 0.000 2.372 109 H HA 0.075 4.630 4.556 -0.001 0.000 0.301 109 H C 2.277 177.614 175.328 0.016 0.000 1.065 109 H CA 1.299 57.340 56.048 -0.013 0.000 1.364 109 H CB -0.146 29.636 29.762 0.033 0.000 1.406 109 H HN 0.170 nan 8.280 nan 0.000 0.521 110 I N 0.775 121.427 120.570 0.137 0.000 2.163 110 I HA -0.275 3.895 4.170 -0.001 0.000 0.243 110 I C 2.401 178.540 176.117 0.036 0.000 1.085 110 I CA 1.138 62.572 61.300 0.223 0.000 1.347 110 I CB -0.239 37.955 38.000 0.322 0.000 1.044 110 I HN 0.097 nan 8.210 nan 0.000 0.408 111 L N -0.575 120.438 121.223 -0.350 0.000 2.109 111 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 111 L C 2.718 179.233 176.870 -0.592 0.000 1.086 111 L CA 1.114 55.498 54.840 -0.759 0.000 0.760 111 L CB -0.523 40.482 42.059 -1.757 0.000 0.910 111 L HN 0.219 nan 8.230 nan 0.000 0.437 112 S N 0.242 115.719 115.700 -0.372 0.000 2.368 112 S HA -0.155 4.314 4.470 -0.001 0.000 0.225 112 S C 1.815 176.386 174.600 -0.049 0.000 1.030 112 S CA 1.541 59.761 58.200 0.034 0.000 0.999 112 S CB -0.166 63.129 63.200 0.158 0.000 0.844 112 S HN 0.437 nan 8.310 nan 0.000 0.459 113 N N 1.566 120.233 118.700 -0.055 0.000 2.331 113 N HA 0.105 4.844 4.740 -0.001 0.000 0.180 113 N C 1.780 176.939 175.510 -0.586 0.000 1.019 113 N CA 1.088 54.034 53.050 -0.172 0.000 0.881 113 N CB -0.732 37.781 38.487 0.044 0.000 0.972 113 N HN 0.502 nan 8.380 nan 0.000 0.435 114 A N 1.091 123.639 122.820 -0.453 0.000 1.898 114 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 114 A C 2.183 179.477 177.584 -0.484 0.000 1.181 114 A CA 0.872 52.467 52.037 -0.736 0.000 0.620 114 A CB -0.666 18.215 19.000 -0.198 0.000 0.819 114 A HN 0.220 nan 8.150 nan 0.000 0.442 115 L N 0.217 121.304 121.223 -0.227 0.000 2.012 115 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 115 L C 2.464 179.255 176.870 -0.132 0.000 1.073 115 L CA 2.601 57.386 54.840 -0.092 0.000 0.748 115 L CB -0.722 41.352 42.059 0.024 0.000 0.891 115 L HN 0.505 nan 8.230 nan 0.000 0.431 116 R N -1.756 118.633 120.500 -0.185 0.000 2.070 116 R HA -0.216 4.123 4.340 -0.001 0.000 0.233 116 R C 2.470 178.626 176.300 -0.241 0.000 1.137 116 R CA 1.646 57.641 56.100 -0.175 0.000 0.945 116 R CB -0.664 29.536 30.300 -0.167 0.000 0.845 116 R HN 0.540 nan 8.270 nan 0.000 0.430 117 H N 0.688 119.477 119.070 -0.469 0.000 2.387 117 H HA -0.056 4.499 4.556 -0.001 0.000 0.299 117 H C 2.179 177.290 175.328 -0.362 0.000 1.090 117 H CA 1.734 57.483 56.048 -0.499 0.000 1.332 117 H CB 0.044 29.234 29.762 -0.952 0.000 1.386 117 H HN 0.227 nan 8.280 nan 0.000 0.516 118 L N -0.514 120.539 121.223 -0.283 0.000 2.056 118 L HA -0.184 4.155 4.340 -0.001 0.000 0.207 118 L C 2.750 179.587 176.870 -0.055 0.000 1.078 118 L CA 1.199 55.958 54.840 -0.135 0.000 0.749 118 L CB -0.749 41.243 42.059 -0.112 0.000 0.901 118 L HN 0.389 nan 8.230 nan 0.000 0.433 119 H N 0.741 119.737 119.070 -0.125 0.000 2.289 119 H HA -0.226 4.329 4.556 -0.001 0.000 0.296 119 H C 1.363 176.641 175.328 -0.084 0.000 1.091 119 H CA 2.252 58.251 56.048 -0.082 0.000 1.274 119 H CB 0.175 29.887 29.762 -0.083 0.000 1.364 119 H HN 0.334 nan 8.280 nan 0.000 0.490 120 D N 0.340 120.661 120.400 -0.132 0.000 2.317 120 D HA -0.020 4.619 4.640 -0.001 0.000 0.211 120 D C 0.057 176.280 176.300 -0.128 0.000 0.966 120 D CA 0.536 54.433 54.000 -0.170 0.000 0.876 120 D CB -0.030 40.670 40.800 -0.166 0.000 0.927 120 D HN 0.322 nan 8.370 nan 0.000 0.519 121 N N 1.153 119.805 118.700 -0.080 0.000 2.804 121 N HA 0.103 4.842 4.740 -0.001 0.000 0.251 121 N C -1.971 173.550 175.510 0.017 0.000 1.250 121 N CA -1.065 51.990 53.050 0.008 0.000 0.820 121 N CB 2.279 40.826 38.487 0.100 0.000 1.156 121 N HN -0.046 nan 8.380 nan 0.000 0.512 122 P HA -0.189 nan 4.420 nan 0.000 0.218 122 P C 0.830 178.163 177.300 0.055 0.000 1.150 122 P CA 1.469 64.572 63.100 0.005 0.000 0.841 122 P CB 0.692 32.387 31.700 -0.009 0.000 0.784 123 E N -1.772 118.492 120.200 0.107 0.000 2.385 123 E HA 0.067 4.417 4.350 -0.001 0.000 0.194 123 E C 0.986 177.734 176.600 0.247 0.000 1.013 123 E CA -0.072 56.434 56.400 0.177 0.000 0.866 123 E CB -0.553 29.283 29.700 0.227 0.000 0.832 123 E HN 0.137 nan 8.360 nan 0.000 0.500 124 M N 1.076 120.770 119.600 0.156 0.000 2.248 124 M HA 0.129 4.609 4.480 -0.001 0.000 0.337 124 M C -0.654 175.644 176.300 -0.004 0.000 1.121 124 M CA 0.330 55.625 55.300 -0.008 0.000 1.155 124 M CB 0.479 33.048 32.600 -0.051 0.000 1.514 124 M HN -0.340 nan 8.290 nan 0.000 0.452 125 K N 3.253 123.612 120.400 -0.068 0.000 2.400 125 K HA 0.653 4.973 4.320 -0.001 0.000 0.246 125 K C -1.713 174.919 176.600 0.053 0.000 0.995 125 K CA -0.505 55.792 56.287 0.016 0.000 0.840 125 K CB 2.149 34.686 32.500 0.062 0.000 1.293 125 K HN 0.682 nan 8.250 nan 0.000 0.445 126 F N 1.602 121.461 119.950 -0.152 0.000 2.654 126 F HA 0.409 4.935 4.527 -0.001 0.000 0.314 126 F C -1.408 174.276 175.800 -0.193 0.000 1.116 126 F CA -1.254 56.640 58.000 -0.177 0.000 1.017 126 F CB 0.973 39.946 39.000 -0.046 0.000 1.285 126 F HN 0.441 nan 8.300 nan 0.000 0.448 127 I N 2.161 122.387 120.570 -0.572 0.000 2.525 127 I HA 0.569 4.739 4.170 -0.001 0.000 0.301 127 I C -1.626 174.042 176.117 -0.748 0.000 0.992 127 I CA -0.583 60.338 61.300 -0.631 0.000 1.162 127 I CB 2.350 39.923 38.000 -0.712 0.000 1.332 127 I HN 0.704 nan 8.210 nan 0.000 0.458 128 W N 4.892 125.765 121.300 -0.711 0.000 2.739 128 W HA 0.633 5.292 4.660 -0.001 0.000 0.331 128 W C -0.638 175.769 176.519 -0.185 0.000 1.049 128 W CA -0.549 56.503 57.345 -0.487 0.000 1.234 128 W CB 2.629 31.849 29.460 -0.399 0.000 1.404 128 W HN 0.797 nan 8.180 nan 0.000 0.477 129 A N 3.497 125.909 122.820 -0.679 0.000 1.970 129 A HA 0.125 4.444 4.320 -0.001 0.000 0.204 129 A C 0.085 177.603 177.584 -0.111 0.000 1.325 129 A CA 0.458 52.343 52.037 -0.252 0.000 0.767 129 A CB -0.121 18.789 19.000 -0.150 0.000 0.949 129 A HN 0.536 nan 8.150 nan 0.000 0.481 130 E N 1.304 121.325 120.200 -0.298 0.000 1.932 130 E HA 0.249 4.598 4.350 -0.001 0.000 0.275 130 E C 0.521 177.279 176.600 0.263 0.000 1.159 130 E CA -0.243 56.160 56.400 0.006 0.000 0.905 130 E CB 0.490 30.191 29.700 0.002 0.000 1.059 130 E HN 0.315 nan 8.360 nan 0.000 0.400 131 I N 1.497 122.130 120.570 0.105 0.000 2.493 131 I HA -0.227 3.942 4.170 -0.001 0.000 0.254 131 I C 1.949 177.727 176.117 -0.565 0.000 1.160 131 I CA 0.997 62.282 61.300 -0.025 0.000 1.445 131 I CB -1.437 36.594 38.000 0.053 0.000 1.086 131 I HN 0.409 nan 8.210 nan 0.000 0.433 132 S N 0.789 115.858 115.700 -1.053 0.000 2.365 132 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 132 S C 2.197 176.492 174.600 -0.508 0.000 1.039 132 S CA 1.298 58.457 58.200 -1.736 0.000 1.033 132 S CB -1.197 61.072 63.200 -1.551 0.000 0.887 132 S HN 0.465 nan 8.310 nan 0.000 0.447 133 Y N 0.178 120.499 120.300 0.035 0.000 2.200 133 Y HA 0.007 4.556 4.550 -0.001 0.000 0.290 133 Y C 2.310 178.273 175.900 0.105 0.000 1.137 133 Y CA 1.152 59.371 58.100 0.198 0.000 1.163 133 Y CB -0.392 38.282 38.460 0.356 0.000 0.988 133 Y HN 0.283 nan 8.280 nan 0.000 0.518 134 F N 0.088 120.115 119.950 0.129 0.000 2.134 134 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 134 F C 2.340 177.964 175.800 -0.295 0.000 1.097 134 F CA 1.203 59.151 58.000 -0.087 0.000 1.264 134 F CB -0.506 38.438 39.000 -0.094 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.175 122.623 122.820 -0.620 0.000 1.902 135 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 135 A C 2.159 179.614 177.584 -0.214 0.000 1.181 135 A CA 1.799 53.285 52.037 -0.919 0.000 0.623 135 A CB -0.770 17.561 19.000 -1.115 0.000 0.818 135 A HN 0.379 nan 8.150 nan 0.000 0.443 136 R N -0.970 119.448 120.500 -0.137 0.000 2.091 136 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 136 R C 1.736 177.980 176.300 -0.093 0.000 1.136 136 R CA 2.107 58.144 56.100 -0.105 0.000 0.959 136 R CB -0.903 29.279 30.300 -0.196 0.000 0.856 136 R HN 0.488 nan 8.270 nan 0.000 0.437 137 F N -0.319 119.547 119.950 -0.140 0.000 2.074 137 F HA -0.112 4.414 4.527 -0.001 0.000 0.293 137 F C 1.958 177.679 175.800 -0.132 0.000 1.116 137 F CA 1.638 59.621 58.000 -0.029 0.000 1.212 137 F CB -0.965 37.943 39.000 -0.152 0.000 0.998 137 F HN 0.108 nan 8.300 nan 0.000 0.471 138 Y N 0.613 120.674 120.300 -0.397 0.000 2.151 138 Y HA -0.316 4.233 4.550 -0.001 0.000 0.284 138 Y C 2.719 178.400 175.900 -0.365 0.000 1.166 138 Y CA 2.428 60.280 58.100 -0.412 0.000 1.163 138 Y CB -0.755 37.599 38.460 -0.177 0.000 0.974 138 Y HN 0.174 nan 8.280 nan 0.000 0.511 139 H N -1.025 118.043 119.070 -0.002 0.000 2.546 139 H HA -0.058 4.497 4.556 -0.001 0.000 0.277 139 H C 0.929 176.160 175.328 -0.162 0.000 1.004 139 H CA 1.317 57.326 56.048 -0.065 0.000 1.231 139 H CB -0.040 29.736 29.762 0.024 0.000 1.382 139 H HN 0.452 nan 8.280 nan 0.000 0.580 140 D N -0.007 120.300 120.400 -0.155 0.000 2.339 140 D HA 0.096 4.736 4.640 -0.001 0.000 0.217 140 D C 0.598 176.715 176.300 -0.304 0.000 1.050 140 D CA 0.050 53.945 54.000 -0.174 0.000 0.856 140 D CB 0.458 41.190 40.800 -0.114 0.000 0.922 140 D HN 0.188 nan 8.370 nan 0.000 0.518 141 L N 0.480 121.425 121.223 -0.464 0.000 2.395 141 L HA 0.372 4.712 4.340 -0.001 0.000 0.269 141 L C 1.340 178.021 176.870 -0.314 0.000 1.133 141 L CA -0.653 53.907 54.840 -0.467 0.000 0.812 141 L CB 1.074 42.769 42.059 -0.607 0.000 1.125 141 L HN -0.030 nan 8.230 nan 0.000 0.452 142 G N 0.594 109.257 108.800 -0.228 0.000 2.572 142 G HA2 0.060 4.020 3.960 -0.001 0.000 0.261 142 G HA3 0.060 4.020 3.960 -0.001 0.000 0.261 142 G C 0.606 175.409 174.900 -0.162 0.000 1.197 142 G CA -0.275 44.732 45.100 -0.156 0.000 0.870 142 G HN 0.774 nan 8.290 nan 0.000 0.548 143 E N 0.004 120.139 120.200 -0.108 0.000 2.118 143 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 143 E C 2.188 178.749 176.600 -0.066 0.000 0.992 143 E CA 1.572 57.924 56.400 -0.080 0.000 0.804 143 E CB -0.136 29.542 29.700 -0.037 0.000 0.741 143 E HN 0.595 nan 8.360 nan 0.000 0.458 144 N N 0.111 118.773 118.700 -0.063 0.000 2.069 144 N HA -0.197 4.543 4.740 -0.001 0.000 0.191 144 N C 1.438 176.909 175.510 -0.065 0.000 1.031 144 N CA 1.338 54.356 53.050 -0.053 0.000 0.852 144 N CB 0.012 38.465 38.487 -0.055 0.000 1.018 144 N HN 0.026 nan 8.380 nan 0.000 0.423 145 K N 1.253 121.595 120.400 -0.096 0.000 2.097 145 K HA -0.040 4.279 4.320 -0.001 0.000 0.205 145 K C 2.039 178.599 176.600 -0.067 0.000 1.050 145 K CA 0.698 56.928 56.287 -0.096 0.000 0.938 145 K CB -0.230 32.192 32.500 -0.130 0.000 0.718 145 K HN 0.326 nan 8.250 nan 0.000 0.442 146 K N 0.786 121.105 120.400 -0.136 0.000 2.063 146 K HA -0.070 4.250 4.320 -0.001 0.000 0.208 146 K C 2.254 178.923 176.600 0.115 0.000 1.048 146 K CA 1.035 57.257 56.287 -0.107 0.000 0.928 146 K CB -0.169 32.169 32.500 -0.271 0.000 0.713 146 K HN 0.052 nan 8.250 nan 0.000 0.442 147 L N 0.908 122.167 121.223 0.060 0.000 2.056 147 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 147 L C 2.522 179.450 176.870 0.096 0.000 1.078 147 L CA 1.287 56.179 54.840 0.087 0.000 0.749 147 L CB -0.399 41.689 42.059 0.049 0.000 0.901 147 L HN 0.260 nan 8.230 nan 0.000 0.433 148 Q N -0.847 118.987 119.800 0.057 0.000 2.124 148 Q HA -0.255 4.085 4.340 -0.001 0.000 0.202 148 Q C 2.193 178.272 176.000 0.132 0.000 0.977 148 Q CA 1.556 57.396 55.803 0.062 0.000 0.850 148 Q CB -0.193 28.510 28.738 -0.058 0.000 0.901 148 Q HN 0.363 nan 8.270 nan 0.000 0.429 149 M N 1.271 120.977 119.600 0.178 0.000 2.086 149 M HA -0.153 4.326 4.480 -0.001 0.000 0.261 149 M C 1.581 178.060 176.300 0.298 0.000 1.067 149 M CA 1.804 57.277 55.300 0.288 0.000 1.116 149 M CB 0.031 32.896 32.600 0.442 0.000 1.348 149 M HN -0.108 nan 8.290 nan 0.000 0.407 150 K N -1.006 119.566 120.400 0.286 0.000 2.097 150 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 150 K C 2.266 178.964 176.600 0.163 0.000 1.049 150 K CA 1.593 58.019 56.287 0.232 0.000 0.933 150 K CB -0.460 32.161 32.500 0.202 0.000 0.717 150 K HN 0.395 nan 8.250 nan 0.000 0.442 151 S N 1.331 117.117 115.700 0.143 0.000 2.368 151 S HA -0.096 4.374 4.470 -0.001 0.000 0.224 151 S C 1.913 176.575 174.600 0.102 0.000 1.029 151 S CA 1.209 59.475 58.200 0.111 0.000 0.988 151 S CB -0.279 62.987 63.200 0.109 0.000 0.838 151 S HN 0.394 nan 8.310 nan 0.000 0.462 152 I N -0.837 119.805 120.570 0.119 0.000 2.830 152 I HA 0.052 4.221 4.170 -0.001 0.000 0.263 152 I C 1.828 177.986 176.117 0.069 0.000 1.230 152 I CA 0.660 62.012 61.300 0.087 0.000 1.480 152 I CB -0.326 37.727 38.000 0.088 0.000 1.095 152 I HN 0.106 nan 8.210 nan 0.000 0.455 153 V N 1.439 121.414 119.914 0.101 0.000 2.446 153 V HA -0.158 3.962 4.120 -0.001 0.000 0.244 153 V C 2.682 178.816 176.094 0.067 0.000 1.039 153 V CA 1.857 64.206 62.300 0.082 0.000 1.045 153 V CB -0.562 31.373 31.823 0.188 0.000 0.681 153 V HN 0.396 nan 8.190 nan 0.000 0.459 154 K N 1.675 122.122 120.400 0.078 0.000 2.063 154 K HA -0.223 4.096 4.320 -0.001 0.000 0.208 154 K C 1.733 178.353 176.600 0.035 0.000 1.048 154 K CA 1.918 58.238 56.287 0.055 0.000 0.928 154 K CB -0.236 32.298 32.500 0.057 0.000 0.713 154 K HN 0.666 nan 8.250 nan 0.000 0.442 155 N N -0.649 118.072 118.700 0.035 0.000 2.461 155 N HA 0.006 4.745 4.740 -0.001 0.000 0.188 155 N C 0.851 176.368 175.510 0.012 0.000 1.134 155 N CA 1.071 54.134 53.050 0.022 0.000 0.878 155 N CB 0.391 38.893 38.487 0.024 0.000 0.972 155 N HN 0.353 nan 8.380 nan 0.000 0.456 156 G N -0.386 108.417 108.800 0.005 0.000 2.176 156 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.253 156 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.253 156 G C 0.842 175.731 174.900 -0.020 0.000 0.979 156 G CA 0.477 45.569 45.100 -0.014 0.000 0.641 156 G HN 0.459 nan 8.290 nan 0.000 0.530 157 Q N -0.937 118.860 119.800 -0.005 0.000 2.083 157 Q HA 0.246 4.586 4.340 -0.001 0.000 0.198 157 Q C 1.319 177.313 176.000 -0.010 0.000 0.969 157 Q CA 0.799 56.604 55.803 0.004 0.000 0.838 157 Q CB 0.251 28.999 28.738 0.016 0.000 0.900 157 Q HN 0.532 nan 8.270 nan 0.000 0.436 158 L N 1.601 122.799 121.223 -0.042 0.000 2.287 158 L HA 0.341 4.680 4.340 -0.001 0.000 0.287 158 L C -1.020 175.676 176.870 -0.291 0.000 1.022 158 L CA -0.178 54.592 54.840 -0.117 0.000 0.814 158 L CB 1.376 43.381 42.059 -0.091 0.000 1.217 158 L HN 0.078 nan 8.230 nan 0.000 0.420 159 E N 4.608 124.589 120.200 -0.365 0.000 2.210 159 E HA 0.347 4.697 4.350 -0.001 0.000 0.266 159 E C -1.558 174.745 176.600 -0.496 0.000 0.883 159 E CA -0.712 55.469 56.400 -0.365 0.000 0.761 159 E CB 1.498 31.073 29.700 -0.207 0.000 1.156 159 E HN 0.435 nan 8.360 nan 0.000 0.412 160 F N 3.321 123.214 119.950 -0.094 0.000 2.427 160 F HA 0.217 4.743 4.527 -0.001 0.000 0.352 160 F C 0.301 176.061 175.800 -0.066 0.000 1.100 160 F CA -0.556 57.399 58.000 -0.075 0.000 1.191 160 F CB 1.205 40.175 39.000 -0.051 0.000 1.128 160 F HN 0.189 nan 8.300 nan 0.000 0.533 161 V N 0.194 120.155 119.914 0.078 0.000 2.459 161 V HA 0.626 4.745 4.120 -0.001 0.000 0.295 161 V C 0.234 176.449 176.094 0.200 0.000 1.029 161 V CA -0.525 61.821 62.300 0.077 0.000 0.874 161 V CB 0.895 32.647 31.823 -0.119 0.000 0.985 161 V HN 0.999 nan 8.190 nan 0.000 0.438 162 T N 3.214 117.966 114.554 0.330 0.000 12.940 162 T HA -0.292 4.058 4.350 -0.001 0.000 0.419 162 T C 1.683 176.609 174.700 0.377 0.000 1.444 162 T CA 2.784 65.127 62.100 0.405 0.000 2.373 162 T CB -1.679 67.325 68.868 0.226 0.000 2.821 162 T HN 2.781 nan 8.240 nan 0.000 0.696 163 G N 1.832 110.792 108.800 0.266 0.000 2.137 163 G HA2 0.124 4.084 3.960 -0.001 0.000 0.237 163 G HA3 0.124 4.084 3.960 -0.001 0.000 0.237 163 G C 0.258 175.297 174.900 0.231 0.000 1.002 163 G CA 0.571 45.805 45.100 0.224 0.000 0.702 163 G HN 1.539 nan 8.290 nan 0.000 0.515 164 G N -1.699 107.235 108.800 0.223 0.000 2.537 164 G HA2 0.400 4.359 3.960 -0.001 0.000 0.273 164 G HA3 0.400 4.359 3.960 -0.001 0.000 0.273 164 G C 0.935 176.006 174.900 0.285 0.000 1.189 164 G CA 0.088 45.330 45.100 0.237 0.000 0.881 164 G HN 0.337 nan 8.290 nan 0.000 0.535 165 W N 0.588 121.929 121.300 0.069 0.000 2.350 165 W HA -0.042 4.617 4.660 -0.001 0.000 0.289 165 W C 0.649 177.195 176.519 0.045 0.000 1.215 165 W CA 1.888 59.259 57.345 0.042 0.000 1.236 165 W CB 0.275 29.742 29.460 0.011 0.000 1.130 165 W HN 0.413 nan 8.180 nan 0.000 0.541 166 V N -2.821 117.214 119.914 0.202 0.000 3.076 166 V HA 0.506 4.625 4.120 -0.001 0.000 0.311 166 V C -0.511 175.669 176.094 0.143 0.000 1.346 166 V CA -1.267 61.096 62.300 0.105 0.000 1.056 166 V CB 1.732 33.632 31.823 0.128 0.000 1.093 166 V HN -0.072 nan 8.190 nan 0.000 0.468 167 M N 3.928 123.642 119.600 0.189 0.000 2.060 167 M HA 0.527 5.006 4.480 -0.001 0.000 0.342 167 M C -2.724 173.743 176.300 0.278 0.000 1.031 167 M CA -1.929 53.495 55.300 0.208 0.000 0.981 167 M CB 1.551 34.298 32.600 0.245 0.000 1.376 167 M HN 0.676 nan 8.290 nan 0.000 0.397 168 P HA 0.085 nan 4.420 nan 0.000 0.272 168 P C -0.955 176.365 177.300 0.032 0.000 1.230 168 P CA -0.066 63.091 63.100 0.095 0.000 0.788 168 P CB 0.548 32.284 31.700 0.061 0.000 0.949 169 D N 0.434 120.814 120.400 -0.033 0.000 2.423 169 D HA -0.034 4.605 4.640 -0.001 0.000 0.238 169 D C 0.642 176.957 176.300 0.025 0.000 1.142 169 D CA 0.433 54.391 54.000 -0.070 0.000 0.884 169 D CB 0.417 41.181 40.800 -0.061 0.000 1.199 169 D HN 0.306 nan 8.370 nan 0.000 0.438 170 E N 1.378 121.641 120.200 0.105 0.000 2.526 170 E HA 0.194 4.544 4.350 -0.001 0.000 0.208 170 E C 0.844 177.624 176.600 0.300 0.000 0.997 170 E CA 0.004 56.530 56.400 0.210 0.000 0.961 170 E CB 0.698 30.540 29.700 0.238 0.000 1.030 170 E HN 0.493 nan 8.360 nan 0.000 0.483 171 A N 1.334 124.281 122.820 0.211 0.000 1.901 171 A HA 0.025 4.345 4.320 -0.001 0.000 0.210 171 A C 1.803 179.273 177.584 -0.189 0.000 1.208 171 A CA 0.546 52.477 52.037 -0.176 0.000 0.644 171 A CB 0.065 18.899 19.000 -0.277 0.000 0.863 171 A HN 0.037 nan 8.150 nan 0.000 0.454 172 N N 0.696 119.375 118.700 -0.034 0.000 2.405 172 N HA 0.005 4.745 4.740 -0.001 0.000 0.175 172 N C 0.486 175.982 175.510 -0.025 0.000 1.051 172 N CA 0.765 53.789 53.050 -0.043 0.000 0.899 172 N CB 0.046 38.553 38.487 0.033 0.000 1.000 172 N HN 0.496 nan 8.380 nan 0.000 0.451 173 S N 0.869 116.564 115.700 -0.008 0.000 2.549 173 S HA 0.026 4.496 4.470 -0.001 0.000 0.283 173 S C 0.020 174.627 174.600 0.012 0.000 1.320 173 S CA -0.553 57.651 58.200 0.007 0.000 1.058 173 S CB 1.089 64.296 63.200 0.012 0.000 0.882 173 S HN 0.206 nan 8.310 nan 0.000 0.498 174 H N 3.480 122.523 119.070 -0.045 0.000 2.582 174 H HA 0.056 4.611 4.556 -0.001 0.000 0.345 174 H C 1.248 176.535 175.328 -0.067 0.000 1.104 174 H CA -0.338 55.668 56.048 -0.070 0.000 1.390 174 H CB 0.549 30.222 29.762 -0.148 0.000 1.461 174 H HN 1.025 nan 8.280 nan 0.000 0.551 175 W N 5.667 126.897 121.300 -0.118 0.000 2.350 175 W HA -0.166 4.493 4.660 -0.001 0.000 0.289 175 W C 1.119 177.713 176.519 0.125 0.000 1.215 175 W CA 0.382 57.723 57.345 -0.007 0.000 1.236 175 W CB -0.510 28.893 29.460 -0.095 0.000 1.130 175 W HN 0.529 nan 8.180 nan 0.000 0.541 176 R N 0.823 120.904 120.500 -0.699 0.000 2.096 176 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 176 R C 2.016 178.140 176.300 -0.293 0.000 1.127 176 R CA 1.909 57.511 56.100 -0.829 0.000 0.968 176 R CB -0.434 29.315 30.300 -0.919 0.000 0.861 176 R HN 0.142 nan 8.270 nan 0.000 0.440 177 N N -0.182 118.430 118.700 -0.147 0.000 2.354 177 N HA -0.058 4.681 4.740 -0.001 0.000 0.179 177 N C 1.697 177.202 175.510 -0.008 0.000 1.021 177 N CA 0.684 53.693 53.050 -0.068 0.000 0.887 177 N CB 0.022 38.489 38.487 -0.034 0.000 0.974 177 N HN 0.007 nan 8.380 nan 0.000 0.437 178 V N 1.371 121.304 119.914 0.030 0.000 2.358 178 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 178 V C 2.311 178.445 176.094 0.066 0.000 1.047 178 V CA 1.018 63.357 62.300 0.065 0.000 1.035 178 V CB -0.432 31.453 31.823 0.103 0.000 0.658 178 V HN 0.187 nan 8.190 nan 0.000 0.452 179 L N -0.265 121.005 121.223 0.079 0.000 2.056 179 L HA -0.111 4.229 4.340 -0.001 0.000 0.207 179 L C 2.180 179.058 176.870 0.012 0.000 1.078 179 L CA 1.831 56.714 54.840 0.071 0.000 0.749 179 L CB -0.723 41.408 42.059 0.120 0.000 0.901 179 L HN 0.284 nan 8.230 nan 0.000 0.433 180 L N -0.036 121.172 121.223 -0.025 0.000 2.012 180 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 180 L C 2.576 179.432 176.870 -0.023 0.000 1.073 180 L CA 2.384 57.198 54.840 -0.042 0.000 0.748 180 L CB -0.779 41.236 42.059 -0.073 0.000 0.891 180 L HN 0.683 nan 8.230 nan 0.000 0.431 181 Q N -1.047 118.761 119.800 0.013 0.000 2.172 181 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 181 Q C 2.014 178.093 176.000 0.132 0.000 0.964 181 Q CA 1.970 57.815 55.803 0.070 0.000 0.855 181 Q CB -1.114 27.701 28.738 0.129 0.000 0.918 181 Q HN 0.480 nan 8.270 nan 0.000 0.444 182 L N 0.795 122.080 121.223 0.105 0.000 2.056 182 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 182 L C 1.898 178.846 176.870 0.130 0.000 1.078 182 L CA 2.387 57.303 54.840 0.128 0.000 0.749 182 L CB -0.961 41.152 42.059 0.089 0.000 0.901 182 L HN 0.315 nan 8.230 nan 0.000 0.433 183 T N -0.945 113.654 114.554 0.074 0.000 2.777 183 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 183 T C 1.714 176.464 174.700 0.083 0.000 1.040 183 T CA 1.432 63.568 62.100 0.060 0.000 1.141 183 T CB -0.170 68.701 68.868 0.006 0.000 0.868 183 T HN 0.339 nan 8.240 nan 0.000 0.444 184 E N 1.061 121.284 120.200 0.038 0.000 2.051 184 E HA -0.049 4.300 4.350 -0.001 0.000 0.192 184 E C 2.369 179.086 176.600 0.195 0.000 0.991 184 E CA 1.595 57.973 56.400 -0.037 0.000 0.799 184 E CB -0.898 28.599 29.700 -0.338 0.000 0.748 184 E HN 0.437 nan 8.360 nan 0.000 0.449 185 G N -0.059 108.958 108.800 0.362 0.000 2.402 185 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 185 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 185 G C 1.495 176.620 174.900 0.374 0.000 1.162 185 G CA 0.723 46.133 45.100 0.516 0.000 0.777 185 G HN 0.270 nan 8.290 nan 0.000 0.539 186 Q N -0.193 119.760 119.800 0.255 0.000 2.172 186 Q HA -0.061 4.278 4.340 -0.001 0.000 0.200 186 Q C 2.782 178.879 176.000 0.162 0.000 0.964 186 Q CA 1.442 57.354 55.803 0.181 0.000 0.855 186 Q CB -0.214 28.612 28.738 0.147 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.104 114.767 114.554 0.182 0.000 2.777 187 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 187 T C 1.089 175.897 174.700 0.180 0.000 1.040 187 T CA 0.998 63.183 62.100 0.141 0.000 1.141 187 T CB -0.340 68.606 68.868 0.131 0.000 0.868 187 T HN 0.469 nan 8.240 nan 0.000 0.444 188 W N 1.626 123.030 121.300 0.173 0.000 2.355 188 W HA -0.032 4.628 4.660 -0.001 0.000 0.309 188 W C 1.789 178.433 176.519 0.208 0.000 1.206 188 W CA 0.903 58.433 57.345 0.309 0.000 1.284 188 W CB -0.470 29.237 29.460 0.411 0.000 1.145 188 W HN 0.135 nan 8.180 nan 0.000 0.502 189 L N 0.643 122.080 121.223 0.357 0.000 2.042 189 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 189 L C 2.615 179.417 176.870 -0.113 0.000 1.076 189 L CA 1.928 56.797 54.840 0.048 0.000 0.749 189 L CB -0.956 41.069 42.059 -0.055 0.000 0.893 189 L HN -0.009 nan 8.230 nan 0.000 0.432 190 K N -0.077 120.282 120.400 -0.068 0.000 2.026 190 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 190 K C 2.210 178.683 176.600 -0.211 0.000 1.048 190 K CA 1.684 57.907 56.287 -0.107 0.000 0.929 190 K CB -0.060 32.403 32.500 -0.062 0.000 0.713 190 K HN 0.247 nan 8.250 nan 0.000 0.439 191 Q N -0.741 118.871 119.800 -0.313 0.000 2.050 191 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 191 Q C 1.629 177.162 176.000 -0.778 0.000 0.980 191 Q CA 1.900 57.360 55.803 -0.571 0.000 0.840 191 Q CB 0.004 28.283 28.738 -0.764 0.000 0.898 191 Q HN 0.344 nan 8.270 nan 0.000 0.424 192 F N -1.508 118.064 119.950 -0.630 0.000 2.582 192 F HA 0.114 4.640 4.527 -0.001 0.000 0.290 192 F C 1.823 177.312 175.800 -0.518 0.000 1.115 192 F CA 0.162 57.732 58.000 -0.717 0.000 1.445 192 F CB 0.404 38.543 39.000 -1.435 0.000 1.126 192 F HN 0.094 nan 8.300 nan 0.000 0.574 193 M N -0.725 118.713 119.600 -0.270 0.000 2.308 193 M HA 0.190 4.669 4.480 -0.001 0.000 0.269 193 M C 0.291 176.563 176.300 -0.046 0.000 1.040 193 M CA 0.296 55.542 55.300 -0.091 0.000 1.024 193 M CB -0.680 31.889 32.600 -0.051 0.000 1.465 193 M HN 0.130 nan 8.290 nan 0.000 0.517 194 N N 1.784 120.424 118.700 -0.101 0.000 2.740 194 N HA -0.138 4.601 4.740 -0.001 0.000 0.248 194 N C -1.030 174.460 175.510 -0.034 0.000 1.062 194 N CA 0.747 53.755 53.050 -0.070 0.000 0.704 194 N CB -1.046 37.414 38.487 -0.045 0.000 0.968 194 N HN 0.326 nan 8.380 nan 0.000 0.547 195 V N -3.795 116.099 119.914 -0.034 0.000 2.971 195 V HA 0.863 4.982 4.120 -0.001 0.000 0.309 195 V C 0.003 176.082 176.094 -0.026 0.000 1.130 195 V CA -0.446 61.850 62.300 -0.007 0.000 0.964 195 V CB 2.286 34.150 31.823 0.069 0.000 1.029 195 V HN 0.062 nan 8.190 nan 0.000 0.427 196 T N 4.194 118.723 114.554 -0.041 0.000 2.930 196 T HA 0.565 4.915 4.350 -0.001 0.000 0.313 196 T C -2.716 171.902 174.700 -0.136 0.000 1.019 196 T CA -0.791 61.266 62.100 -0.072 0.000 1.004 196 T CB 1.335 70.151 68.868 -0.086 0.000 0.987 196 T HN 0.761 nan 8.240 nan 0.000 0.456 197 P HA 0.142 nan 4.420 nan 0.000 0.266 197 P C 0.853 177.773 177.300 -0.633 0.000 1.195 197 P CA -0.080 62.905 63.100 -0.190 0.000 0.768 197 P CB 0.534 32.237 31.700 0.005 0.000 0.838 198 T N -1.720 112.517 114.554 -0.529 0.000 3.043 198 T HA 0.527 4.877 4.350 -0.001 0.000 0.272 198 T C 0.351 174.857 174.700 -0.323 0.000 0.990 198 T CA -0.251 61.412 62.100 -0.729 0.000 0.897 198 T CB 0.173 68.825 68.868 -0.360 0.000 1.111 198 T HN 0.411 nan 8.240 nan 0.000 0.529 199 A N 0.910 123.704 122.820 -0.043 0.000 2.331 199 A HA 0.801 5.121 4.320 -0.001 0.000 0.320 199 A C -0.158 177.692 177.584 0.443 0.000 1.138 199 A CA -0.688 51.482 52.037 0.221 0.000 0.790 199 A CB 1.782 20.924 19.000 0.236 0.000 1.206 199 A HN 0.259 nan 8.150 nan 0.000 0.470 200 S N 2.157 118.108 115.700 0.419 0.000 2.549 200 S HA 0.668 5.137 4.470 -0.001 0.000 0.297 200 S C -1.113 173.675 174.600 0.314 0.000 1.115 200 S CA -0.435 57.949 58.200 0.307 0.000 1.059 200 S CB 0.742 63.944 63.200 0.003 0.000 1.046 200 S HN 0.806 nan 8.310 nan 0.000 0.506 201 W N 4.669 125.983 121.300 0.023 0.000 2.499 201 W HA 0.639 5.298 4.660 -0.001 0.000 0.320 201 W C -1.485 174.980 176.519 -0.091 0.000 1.010 201 W CA -0.856 56.456 57.345 -0.054 0.000 1.267 201 W CB 1.126 30.527 29.460 -0.100 0.000 1.316 201 W HN 0.778 nan 8.180 nan 0.000 0.431 202 A N 7.946 130.628 122.820 -0.231 0.000 2.893 202 A HA 0.291 4.611 4.320 -0.001 0.000 0.333 202 A C 0.287 177.609 177.584 -0.436 0.000 1.152 202 A CA -0.489 51.405 52.037 -0.239 0.000 0.782 202 A CB -0.356 18.619 19.000 -0.042 0.000 1.108 202 A HN 0.706 nan 8.150 nan 0.000 0.469 203 I N -2.639 117.489 120.570 -0.735 0.000 3.728 203 I HA 0.273 4.442 4.170 -0.001 0.000 0.307 203 I C 0.763 176.520 176.117 -0.600 0.000 1.276 203 I CA 0.807 61.633 61.300 -0.791 0.000 1.285 203 I CB 0.391 37.667 38.000 -1.206 0.000 1.038 203 I HN 0.326 nan 8.210 nan 0.000 0.445 204 D N 0.342 120.363 120.400 -0.632 0.000 2.489 204 D HA 0.247 4.887 4.640 -0.001 0.000 0.231 204 D C -2.168 173.698 176.300 -0.723 0.000 1.114 204 D CA -0.776 52.864 54.000 -0.601 0.000 0.842 204 D CB 0.105 40.506 40.800 -0.664 0.000 1.133 204 D HN 0.160 nan 8.370 nan 0.000 0.506 205 P HA 0.012 nan 4.420 nan 0.000 0.265 205 P C -0.474 176.383 177.300 -0.739 0.000 1.187 205 P CA 0.139 62.707 63.100 -0.887 0.000 0.766 205 P CB 0.157 31.506 31.700 -0.586 0.000 0.820 206 F N 2.614 122.337 119.950 -0.379 0.000 2.652 206 F HA 0.503 5.029 4.527 -0.001 0.000 0.352 206 F C 1.469 177.227 175.800 -0.071 0.000 1.259 206 F CA -0.538 57.219 58.000 -0.405 0.000 1.249 206 F CB -1.317 37.599 39.000 -0.140 0.000 1.628 206 F HN 0.467 nan 8.300 nan 0.000 0.654 207 G N 1.128 109.690 108.800 -0.396 0.000 2.587 207 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.686 207 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.686 207 G C -1.477 173.055 174.900 -0.613 0.000 1.236 207 G CA -1.187 43.784 45.100 -0.216 0.000 0.820 207 G HN 0.576 nan 8.290 nan 0.000 0.645 208 H N -0.463 118.315 119.070 -0.486 0.000 2.690 208 H HA 0.768 5.324 4.556 -0.001 0.000 0.368 208 H C -0.281 174.917 175.328 -0.217 0.000 1.150 208 H CA 0.021 55.956 56.048 -0.189 0.000 1.174 208 H CB 2.086 31.909 29.762 0.102 0.000 1.684 208 H HN 0.661 nan 8.280 nan 0.000 0.538 209 S N 2.104 117.931 115.700 0.210 0.000 2.501 209 S HA 0.252 4.722 4.470 -0.001 0.000 0.301 209 S C -1.765 172.821 174.600 -0.023 0.000 1.096 209 S CA -1.802 56.523 58.200 0.209 0.000 1.063 209 S CB 1.296 64.665 63.200 0.281 0.000 1.042 209 S HN 0.452 nan 8.310 nan 0.000 0.494 210 P HA 0.018 nan 4.420 nan 0.000 0.230 210 P C 1.073 178.090 177.300 -0.471 0.000 1.158 210 P CA 0.739 63.384 63.100 -0.759 0.000 0.769 210 P CB -0.251 31.180 31.700 -0.448 0.000 0.807 211 T N -0.182 114.244 114.554 -0.214 0.000 2.881 211 T HA -0.088 4.261 4.350 -0.001 0.000 0.270 211 T C 1.822 176.474 174.700 -0.079 0.000 1.068 211 T CA 1.167 63.196 62.100 -0.118 0.000 1.131 211 T CB -0.382 68.462 68.868 -0.040 0.000 0.871 211 T HN -0.005 nan 8.240 nan 0.000 0.479 212 M N 0.976 120.483 119.600 -0.155 0.000 2.064 212 M HA 0.009 4.488 4.480 -0.001 0.000 0.260 212 M C -0.586 175.578 176.300 -0.226 0.000 1.073 212 M CA 1.183 56.393 55.300 -0.150 0.000 1.124 212 M CB -2.489 30.046 32.600 -0.109 0.000 1.326 212 M HN 0.131 nan 8.290 nan 0.000 0.410 213 P HA -0.199 nan 4.420 nan 0.000 0.218 213 P C 1.650 178.833 177.300 -0.194 0.000 1.149 213 P CA 1.397 64.319 63.100 -0.297 0.000 0.817 213 P CB -0.402 31.050 31.700 -0.414 0.000 0.785 214 Y N 1.291 121.409 120.300 -0.303 0.000 2.097 214 Y HA -0.216 4.333 4.550 -0.001 0.000 0.282 214 Y C 2.439 178.260 175.900 -0.131 0.000 1.152 214 Y CA 1.729 59.713 58.100 -0.194 0.000 1.136 214 Y CB -1.031 37.331 38.460 -0.165 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.426 120.153 120.570 0.015 0.000 2.252 215 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 215 I C 2.304 178.348 176.117 -0.123 0.000 1.102 215 I CA 1.245 62.520 61.300 -0.040 0.000 1.385 215 I CB -0.451 37.594 38.000 0.074 0.000 1.064 215 I HN 0.267 nan 8.210 nan 0.000 0.414 216 L N 0.095 121.199 121.223 -0.199 0.000 2.046 216 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 216 L C 2.692 179.550 176.870 -0.020 0.000 1.077 216 L CA 1.227 55.888 54.840 -0.297 0.000 0.747 216 L CB -0.772 40.907 42.059 -0.633 0.000 0.896 216 L HN 0.350 nan 8.230 nan 0.000 0.432 217 Q N 1.202 120.955 119.800 -0.079 0.000 2.226 217 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 217 Q C 1.618 177.580 176.000 -0.063 0.000 0.975 217 Q CA 1.503 57.281 55.803 -0.042 0.000 0.866 217 Q CB 0.114 28.799 28.738 -0.088 0.000 0.915 217 Q HN 0.469 nan 8.270 nan 0.000 0.440 218 K N -0.522 119.799 120.400 -0.132 0.000 2.417 218 K HA 0.126 4.446 4.320 -0.001 0.000 0.196 218 K C 0.568 177.132 176.600 -0.061 0.000 1.023 218 K CA 0.056 56.257 56.287 -0.144 0.000 1.122 218 K CB 0.557 32.895 32.500 -0.271 0.000 0.850 218 K HN -0.084 nan 8.250 nan 0.000 0.521 219 S N -0.222 115.501 115.700 0.038 0.000 2.741 219 S HA 0.202 4.671 4.470 -0.001 0.000 0.247 219 S C 0.743 175.443 174.600 0.166 0.000 1.050 219 S CA 0.102 58.372 58.200 0.115 0.000 1.025 219 S CB 1.301 64.614 63.200 0.189 0.000 0.897 219 S HN 0.525 nan 8.310 nan 0.000 0.508 220 G N 1.229 110.077 108.800 0.081 0.000 2.176 220 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.253 220 G C -0.009 174.861 174.900 -0.050 0.000 0.979 220 G CA -0.364 44.726 45.100 -0.016 0.000 0.641 220 G HN 0.447 nan 8.290 nan 0.000 0.530 221 F N 0.404 120.314 119.950 -0.067 0.000 2.450 221 F HA 0.552 5.079 4.527 -0.001 0.000 0.339 221 F C 1.606 177.349 175.800 -0.096 0.000 1.146 221 F CA 0.103 58.059 58.000 -0.073 0.000 1.267 221 F CB 0.908 39.868 39.000 -0.066 0.000 1.178 221 F HN -0.187 nan 8.300 nan 0.000 0.585 222 K N 0.994 121.410 120.400 0.027 0.000 2.425 222 K HA 0.245 4.564 4.320 -0.001 0.000 0.201 222 K C -0.534 176.008 176.600 -0.097 0.000 1.128 222 K CA 0.121 56.367 56.287 -0.070 0.000 1.000 222 K CB 0.225 32.636 32.500 -0.149 0.000 0.961 222 K HN 0.616 nan 8.250 nan 0.000 0.555 223 N N 0.192 118.824 118.700 -0.115 0.000 2.591 223 N HA 0.467 5.206 4.740 -0.001 0.000 0.263 223 N C -1.126 174.237 175.510 -0.245 0.000 1.308 223 N CA -0.680 52.148 53.050 -0.371 0.000 0.837 223 N CB 2.222 39.969 38.487 -1.233 0.000 1.548 223 N HN -0.098 nan 8.380 nan 0.000 0.493 224 M N -0.278 119.163 119.600 -0.265 0.000 2.578 224 M HA 0.621 5.101 4.480 -0.001 0.000 0.276 224 M C -2.134 174.219 176.300 0.088 0.000 1.245 224 M CA -0.913 54.369 55.300 -0.031 0.000 0.871 224 M CB 2.468 35.044 32.600 -0.039 0.000 1.722 224 M HN 0.513 nan 8.290 nan 0.000 0.473 225 L N 3.683 124.979 121.223 0.122 0.000 2.408 225 L HA 0.875 5.215 4.340 -0.001 0.000 0.268 225 L C -1.542 175.200 176.870 -0.213 0.000 0.986 225 L CA -0.752 54.117 54.840 0.049 0.000 0.820 225 L CB 2.066 44.209 42.059 0.140 0.000 1.303 225 L HN 0.954 nan 8.230 nan 0.000 0.411 226 I N 0.915 121.264 120.570 -0.368 0.000 3.042 226 I HA 0.610 4.779 4.170 -0.001 0.000 0.310 226 I C -0.673 175.133 176.117 -0.518 0.000 1.117 226 I CA -0.572 60.318 61.300 -0.683 0.000 1.003 226 I CB 2.240 39.536 38.000 -1.173 0.000 1.228 226 I HN 0.752 nan 8.210 nan 0.000 0.443 227 Q N 2.167 121.741 119.800 -0.377 0.000 2.563 227 Q HA 0.332 4.672 4.340 -0.001 0.000 0.236 227 Q C 0.034 175.920 176.000 -0.190 0.000 0.792 227 Q CA 0.310 55.958 55.803 -0.257 0.000 0.960 227 Q CB 0.534 29.107 28.738 -0.275 0.000 1.304 227 Q HN 0.649 nan 8.270 nan 0.000 0.566 228 R N 2.197 122.584 120.500 -0.189 0.000 2.612 228 R HA 0.293 4.633 4.340 -0.001 0.000 0.273 228 R C -0.640 175.342 176.300 -0.530 0.000 1.376 228 R CA 0.656 56.379 56.100 -0.628 0.000 1.171 228 R CB -0.034 29.523 30.300 -1.238 0.000 1.151 228 R HN 0.405 nan 8.270 nan 0.000 0.560 229 T N -2.484 112.006 114.554 -0.107 0.000 2.916 229 T HA 0.127 4.476 4.350 -0.001 0.000 0.292 229 T C -0.010 174.933 174.700 0.406 0.000 1.055 229 T CA -0.917 61.261 62.100 0.129 0.000 1.009 229 T CB 1.769 70.561 68.868 -0.126 0.000 1.118 229 T HN 0.428 nan 8.240 nan 0.000 0.497 230 H N 1.924 121.214 119.070 0.368 0.000 3.115 230 H HA -0.052 4.503 4.556 -0.001 0.000 0.324 230 H C 1.051 176.423 175.328 0.073 0.000 1.007 230 H CA 0.543 56.696 56.048 0.175 0.000 1.385 230 H CB 0.336 30.220 29.762 0.205 0.000 1.351 230 H HN 0.925 nan 8.280 nan 0.000 0.592 231 Y N 2.278 122.681 120.300 0.173 0.000 2.256 231 Y HA -0.172 4.377 4.550 -0.001 0.000 0.288 231 Y C 2.219 178.281 175.900 0.272 0.000 1.155 231 Y CA 0.946 59.179 58.100 0.221 0.000 1.203 231 Y CB -0.676 37.858 38.460 0.123 0.000 0.980 231 Y HN 0.293 nan 8.280 nan 0.000 0.530 232 S N 0.346 116.076 115.700 0.049 0.000 2.383 232 S HA -0.121 4.348 4.470 -0.001 0.000 0.227 232 S C 2.093 176.610 174.600 -0.139 0.000 1.026 232 S CA 1.211 59.334 58.200 -0.129 0.000 0.981 232 S CB -0.572 62.281 63.200 -0.579 0.000 0.818 232 S HN 0.372 nan 8.310 nan 0.000 0.472 233 V N 1.902 121.796 119.914 -0.034 0.000 2.358 233 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 233 V C 2.249 178.383 176.094 0.065 0.000 1.047 233 V CA 1.556 63.871 62.300 0.027 0.000 1.035 233 V CB -0.505 31.445 31.823 0.213 0.000 0.658 233 V HN 0.401 nan 8.190 nan 0.000 0.452 234 K N 0.134 120.612 120.400 0.131 0.000 2.032 234 K HA -0.261 4.058 4.320 -0.001 0.000 0.209 234 K C 2.282 179.013 176.600 0.220 0.000 1.048 234 K CA 1.927 58.309 56.287 0.159 0.000 0.927 234 K CB -0.254 32.398 32.500 0.254 0.000 0.712 234 K HN 0.341 nan 8.250 nan 0.000 0.441 235 K N 1.159 121.692 120.400 0.223 0.000 2.032 235 K HA -0.252 4.067 4.320 -0.001 0.000 0.209 235 K C 2.153 178.858 176.600 0.177 0.000 1.048 235 K CA 1.889 58.315 56.287 0.233 0.000 0.927 235 K CB -0.004 32.562 32.500 0.110 0.000 0.712 235 K HN -0.005 nan 8.250 nan 0.000 0.441 236 E N 0.745 120.965 120.200 0.033 0.000 2.051 236 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 236 E C 1.926 178.527 176.600 0.002 0.000 0.991 236 E CA 1.491 57.871 56.400 -0.034 0.000 0.799 236 E CB -0.160 29.469 29.700 -0.117 0.000 0.748 236 E HN 0.358 nan 8.360 nan 0.000 0.449 237 L N -0.262 120.972 121.223 0.017 0.000 2.156 237 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 237 L C 2.498 179.391 176.870 0.038 0.000 1.095 237 L CA 0.819 55.661 54.840 0.004 0.000 0.770 237 L CB -0.545 41.500 42.059 -0.023 0.000 0.914 237 L HN 0.201 nan 8.230 nan 0.000 0.439 238 A N -0.100 122.792 122.820 0.121 0.000 1.902 238 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 238 A C 2.229 179.999 177.584 0.310 0.000 1.181 238 A CA 1.577 53.739 52.037 0.208 0.000 0.623 238 A CB -0.479 18.796 19.000 0.459 0.000 0.818 238 A HN 0.465 nan 8.150 nan 0.000 0.443 239 Q N -1.002 118.949 119.800 0.251 0.000 2.226 239 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 239 Q C 1.417 177.419 176.000 0.002 0.000 0.975 239 Q CA 1.228 57.034 55.803 0.004 0.000 0.866 239 Q CB -0.025 28.563 28.738 -0.250 0.000 0.915 239 Q HN 0.599 nan 8.270 nan 0.000 0.440 240 Q N -0.220 119.589 119.800 0.016 0.000 2.282 240 Q HA 0.135 4.475 4.340 -0.001 0.000 0.206 240 Q C -0.359 175.660 176.000 0.031 0.000 0.878 240 Q CA -0.004 55.803 55.803 0.006 0.000 0.944 240 Q CB 0.687 29.419 28.738 -0.010 0.000 1.100 240 Q HN 0.279 nan 8.270 nan 0.000 0.509 241 R N 0.722 121.245 120.500 0.038 0.000 3.333 241 R HA -0.206 4.134 4.340 -0.001 0.000 0.256 241 R C -0.134 176.199 176.300 0.055 0.000 1.010 241 R CA 0.468 56.580 56.100 0.021 0.000 0.680 241 R CB -1.917 28.420 30.300 0.062 0.000 1.102 241 R HN 0.386 nan 8.270 nan 0.000 0.440 242 Q N 0.054 119.877 119.800 0.038 0.000 2.186 242 Q HA 0.203 4.542 4.340 -0.001 0.000 0.241 242 Q C 1.257 177.340 176.000 0.139 0.000 0.849 242 Q CA -0.236 55.626 55.803 0.099 0.000 1.053 242 Q CB 0.526 29.287 28.738 0.038 0.000 1.146 242 Q HN 0.428 nan 8.270 nan 0.000 0.475 243 L N 0.110 121.345 121.223 0.020 0.000 2.478 243 L HA 0.029 4.368 4.340 -0.001 0.000 0.223 243 L C 0.314 177.181 176.870 -0.006 0.000 1.140 243 L CA 0.981 55.802 54.840 -0.032 0.000 0.842 243 L CB 0.303 42.148 42.059 -0.357 0.000 0.953 243 L HN 0.188 nan 8.230 nan 0.000 0.452 244 E N 0.022 120.269 120.200 0.077 0.000 2.176 244 E HA 0.513 4.863 4.350 -0.001 0.000 0.267 244 E C -1.226 175.296 176.600 -0.130 0.000 0.893 244 E CA -0.541 55.703 56.400 -0.260 0.000 0.761 244 E CB 1.603 31.298 29.700 -0.008 0.000 1.133 244 E HN -0.004 nan 8.360 nan 0.000 0.409 245 F N -0.199 119.496 119.950 -0.425 0.000 2.686 245 F HA 0.487 5.013 4.527 -0.001 0.000 0.311 245 F C -1.559 174.122 175.800 -0.198 0.000 1.128 245 F CA -1.393 56.498 58.000 -0.181 0.000 0.946 245 F CB 0.787 39.715 39.000 -0.120 0.000 1.336 245 F HN 0.161 nan 8.300 nan 0.000 0.457 246 L N 2.573 123.950 121.223 0.257 0.000 2.270 246 L HA 0.177 4.517 4.340 -0.001 0.000 0.286 246 L C -1.086 176.013 176.870 0.382 0.000 1.059 246 L CA -0.249 54.738 54.840 0.246 0.000 0.839 246 L CB 0.459 42.668 42.059 0.250 0.000 1.221 246 L HN 0.574 nan 8.230 nan 0.000 0.431 247 W N 6.740 128.157 121.300 0.196 0.000 2.437 247 W HA 0.302 4.962 4.660 -0.001 0.000 0.312 247 W C 0.326 176.875 176.519 0.051 0.000 1.242 247 W CA -1.187 56.288 57.345 0.216 0.000 1.340 247 W CB 0.376 30.006 29.460 0.284 0.000 1.327 247 W HN 0.509 nan 8.180 nan 0.000 0.476 248 R N 3.748 124.426 120.500 0.297 0.000 2.856 248 R HA 0.538 4.878 4.340 -0.001 0.000 0.258 248 R C -0.138 176.074 176.300 -0.146 0.000 1.066 248 R CA -0.940 55.164 56.100 0.007 0.000 1.045 248 R CB 1.047 31.334 30.300 -0.022 0.000 1.178 248 R HN 0.222 nan 8.270 nan 0.000 0.499 249 Q N 1.422 120.980 119.800 -0.404 0.000 2.392 249 Q HA 0.056 4.395 4.340 -0.001 0.000 0.262 249 Q C 1.484 177.089 176.000 -0.659 0.000 1.003 249 Q CA 0.118 55.474 55.803 -0.746 0.000 0.888 249 Q CB 0.842 28.686 28.738 -1.490 0.000 1.260 249 Q HN 0.844 nan 8.270 nan 0.000 0.435 250 I N -1.774 118.518 120.570 -0.464 0.000 2.423 250 I HA -0.189 3.980 4.170 -0.001 0.000 0.254 250 I C 1.312 177.372 176.117 -0.096 0.000 1.151 250 I CA 1.497 62.684 61.300 -0.189 0.000 1.421 250 I CB -0.386 37.599 38.000 -0.024 0.000 1.079 250 I HN 0.687 nan 8.210 nan 0.000 0.431 251 W N 1.378 122.749 121.300 0.117 0.000 3.278 251 W HA 0.359 5.019 4.660 -0.001 0.000 0.308 251 W C 0.289 176.894 176.519 0.144 0.000 1.253 251 W CA -0.654 56.826 57.345 0.225 0.000 1.759 251 W CB -0.738 28.933 29.460 0.353 0.000 1.093 251 W HN -0.065 nan 8.180 nan 0.000 0.648 252 D N 1.839 121.987 120.400 -0.420 0.000 2.402 252 D HA -0.009 4.630 4.640 -0.001 0.000 0.235 252 D C 0.797 177.077 176.300 -0.032 0.000 1.226 252 D CA 0.316 54.200 54.000 -0.195 0.000 0.918 252 D CB 0.131 40.719 40.800 -0.354 0.000 1.043 252 D HN 0.148 nan 8.370 nan 0.000 0.506 253 N N 2.904 121.647 118.700 0.072 0.000 2.216 253 N HA -0.102 4.637 4.740 -0.001 0.000 0.183 253 N C 1.523 177.057 175.510 0.040 0.000 1.017 253 N CA 0.781 53.864 53.050 0.055 0.000 0.861 253 N CB 0.217 38.755 38.487 0.086 0.000 0.986 253 N HN 0.290 nan 8.380 nan 0.000 0.428 254 K N -0.947 119.483 120.400 0.049 0.000 2.116 254 K HA 0.018 4.338 4.320 -0.001 0.000 0.203 254 K C 0.679 177.297 176.600 0.030 0.000 1.052 254 K CA 1.149 57.461 56.287 0.041 0.000 0.952 254 K CB 0.130 32.659 32.500 0.050 0.000 0.729 254 K HN 0.257 nan 8.250 nan 0.000 0.446 255 G N 0.796 109.607 108.800 0.018 0.000 2.163 255 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.213 255 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.213 255 G C 0.150 175.059 174.900 0.015 0.000 0.991 255 G CA 0.348 45.457 45.100 0.015 0.000 0.653 255 G HN 0.363 nan 8.290 nan 0.000 0.518 256 D N 0.674 121.084 120.400 0.017 0.000 2.350 256 D HA -0.008 4.631 4.640 -0.001 0.000 0.216 256 D C 2.549 178.846 176.300 -0.006 0.000 0.968 256 D CA 1.709 55.717 54.000 0.012 0.000 0.894 256 D CB -0.182 40.631 40.800 0.022 0.000 0.909 256 D HN 0.672 nan 8.370 nan 0.000 0.520 257 T N -2.239 112.303 114.554 -0.020 0.000 3.100 257 T HA 0.313 4.663 4.350 -0.001 0.000 0.253 257 T C 1.023 175.694 174.700 -0.048 0.000 1.118 257 T CA -0.072 61.999 62.100 -0.049 0.000 1.058 257 T CB 0.026 68.853 68.868 -0.069 0.000 0.953 257 T HN 0.067 nan 8.240 nan 0.000 0.515 258 A N 1.526 124.342 122.820 -0.008 0.000 2.565 258 A HA 0.501 4.821 4.320 -0.001 0.000 0.237 258 A C -0.228 177.384 177.584 0.045 0.000 1.053 258 A CA -0.200 51.863 52.037 0.043 0.000 0.755 258 A CB -0.246 18.801 19.000 0.079 0.000 0.980 258 A HN 0.563 nan 8.150 nan 0.000 0.506 259 L N 3.133 124.403 121.223 0.079 0.000 2.438 259 L HA 0.566 4.905 4.340 -0.001 0.000 0.270 259 L C -0.640 176.288 176.870 0.095 0.000 0.972 259 L CA -0.593 54.285 54.840 0.063 0.000 0.831 259 L CB 1.441 43.504 42.059 0.007 0.000 1.273 259 L HN 0.661 nan 8.230 nan 0.000 0.405 260 F N 3.942 123.853 119.950 -0.066 0.000 2.578 260 F HA 0.413 4.939 4.527 -0.001 0.000 0.376 260 F C 0.011 175.685 175.800 -0.209 0.000 1.085 260 F CA 0.787 58.711 58.000 -0.126 0.000 1.260 260 F CB 0.461 39.403 39.000 -0.098 0.000 1.095 260 F HN 0.582 nan 8.300 nan 0.000 0.573 261 T N 5.372 119.324 114.554 -1.003 0.000 2.861 261 T HA 0.218 4.567 4.350 -0.001 0.000 0.287 261 T C -1.649 172.396 174.700 -1.091 0.000 1.003 261 T CA -0.488 61.093 62.100 -0.865 0.000 0.977 261 T CB 0.970 69.335 68.868 -0.839 0.000 0.996 261 T HN 0.632 nan 8.240 nan 0.000 0.448 262 H N 2.673 121.420 119.070 -0.539 0.000 2.511 262 H HA 0.641 5.196 4.556 -0.001 0.000 0.328 262 H C -0.500 174.634 175.328 -0.322 0.000 1.044 262 H CA -0.767 55.091 56.048 -0.316 0.000 1.212 262 H CB 0.799 30.601 29.762 0.066 0.000 1.428 262 H HN 0.485 nan 8.280 nan 0.000 0.483 263 M N 6.661 125.918 119.600 -0.571 0.000 2.180 263 M HA 0.299 4.779 4.480 -0.001 0.000 0.350 263 M C -0.927 175.123 176.300 -0.416 0.000 1.125 263 M CA -0.673 54.373 55.300 -0.424 0.000 1.031 263 M CB 0.789 33.194 32.600 -0.326 0.000 1.623 263 M HN 0.716 nan 8.290 nan 0.000 0.451 264 M N 6.941 126.387 119.600 -0.256 0.000 2.248 264 M HA 0.166 4.645 4.480 -0.001 0.000 0.337 264 M C -1.481 174.674 176.300 -0.241 0.000 1.121 264 M CA -1.010 54.181 55.300 -0.182 0.000 1.155 264 M CB 0.575 33.082 32.600 -0.155 0.000 1.514 264 M HN 0.481 nan 8.290 nan 0.000 0.452 265 P HA 0.054 nan 4.420 nan 0.000 0.239 265 P C -0.311 176.780 177.300 -0.348 0.000 1.188 265 P CA 0.965 63.746 63.100 -0.531 0.000 0.794 265 P CB 0.265 31.372 31.700 -0.987 0.000 0.937 266 F N -2.115 117.825 119.950 -0.017 0.000 2.452 266 F HA 0.279 4.805 4.527 -0.001 0.000 0.353 266 F C 2.237 178.115 175.800 0.130 0.000 1.089 266 F CA -1.329 56.702 58.000 0.051 0.000 1.080 266 F CB 0.118 39.092 39.000 -0.043 0.000 1.399 266 F HN -0.295 nan 8.300 nan 0.000 0.492 267 Y N 0.447 120.895 120.300 0.246 0.000 2.352 267 Y HA 0.002 4.551 4.550 -0.001 0.000 0.292 267 Y C 0.877 176.694 175.900 -0.138 0.000 1.136 267 Y CA 1.217 59.320 58.100 0.005 0.000 1.227 267 Y CB 0.006 38.379 38.460 -0.144 0.000 0.991 267 Y HN 0.350 nan 8.280 nan 0.000 0.545 268 S N -1.855 113.681 115.700 -0.274 0.000 2.638 268 S HA 0.255 4.725 4.470 -0.001 0.000 0.274 268 S C -0.379 174.129 174.600 -0.153 0.000 1.157 268 S CA -0.374 57.568 58.200 -0.430 0.000 0.826 268 S CB 0.285 63.156 63.200 -0.548 0.000 1.139 268 S HN 0.287 nan 8.310 nan 0.000 0.474 269 Y N 0.745 120.994 120.300 -0.085 0.000 2.466 269 Y HA 0.319 4.868 4.550 -0.001 0.000 0.272 269 Y C 0.443 176.423 175.900 0.132 0.000 1.169 269 Y CA -0.583 57.491 58.100 -0.042 0.000 1.285 269 Y CB -0.949 37.393 38.460 -0.198 0.000 1.078 269 Y HN 0.543 nan 8.280 nan 0.000 0.523 270 D N 0.630 121.012 120.400 -0.031 0.000 2.371 270 D HA -0.004 4.636 4.640 -0.001 0.000 0.242 270 D C 1.190 177.610 176.300 0.199 0.000 1.218 270 D CA -0.464 53.614 54.000 0.131 0.000 0.945 270 D CB 0.846 41.682 40.800 0.061 0.000 1.137 270 D HN 0.242 nan 8.370 nan 0.000 0.464 271 I N -0.225 120.443 120.570 0.164 0.000 2.286 271 I HA -0.148 4.022 4.170 -0.001 0.000 0.248 271 I C -0.770 175.381 176.117 0.058 0.000 1.115 271 I CA 0.831 62.214 61.300 0.138 0.000 1.392 271 I CB -1.132 36.939 38.000 0.119 0.000 1.065 271 I HN 0.343 nan 8.210 nan 0.000 0.418 272 P HA -0.152 nan 4.420 nan 0.000 0.219 272 P C 0.604 177.586 177.300 -0.529 0.000 1.146 272 P CA 1.591 64.507 63.100 -0.305 0.000 0.808 272 P CB -0.091 31.433 31.700 -0.294 0.000 0.779 273 H N -2.923 116.135 119.070 -0.021 0.000 2.486 273 H HA 0.219 4.775 4.556 -0.001 0.000 0.284 273 H C 0.870 176.289 175.328 0.151 0.000 1.103 273 H CA 0.576 56.623 56.048 -0.001 0.000 1.089 273 H CB -0.210 29.620 29.762 0.114 0.000 1.603 273 H HN 0.104 nan 8.280 nan 0.000 0.557 274 T N -4.270 110.397 114.554 0.189 0.000 3.016 274 T HA -0.018 4.331 4.350 -0.001 0.000 0.271 274 T C 1.779 176.603 174.700 0.207 0.000 0.968 274 T CA 0.352 62.596 62.100 0.239 0.000 0.891 274 T CB -0.692 68.304 68.868 0.213 0.000 1.149 274 T HN 0.510 nan 8.240 nan 0.000 0.524 275 c N 1.430 120.117 118.600 0.145 0.000 2.533 275 c HA 0.726 5.295 4.570 -0.001 0.000 0.272 275 c C 1.336 175.540 174.090 0.191 0.000 1.371 275 c CA 0.452 56.906 56.329 0.208 0.000 1.758 275 c CB -1.021 41.564 42.510 0.124 0.000 1.972 275 c HN 0.861 nan 8.230 nan 0.000 0.522 276 G N -0.149 108.676 108.800 0.042 0.000 2.321 276 G HA2 0.386 4.345 3.960 -0.001 0.000 0.296 276 G HA3 0.386 4.345 3.960 -0.001 0.000 0.296 276 G C -2.621 171.864 174.900 -0.691 0.000 1.287 276 G CA 0.267 45.338 45.100 -0.049 0.000 0.846 276 G HN -0.102 nan 8.290 nan 0.000 0.508 277 P HA 0.059 nan 4.420 nan 0.000 0.223 277 P C -0.110 176.777 177.300 -0.689 0.000 1.151 277 P CA 1.143 63.579 63.100 -1.107 0.000 0.787 277 P CB 0.350 31.721 31.700 -0.549 0.000 0.788 278 D N 0.775 120.879 120.400 -0.494 0.000 2.454 278 D HA 0.142 4.781 4.640 -0.001 0.000 0.225 278 D C -1.416 174.539 176.300 -0.575 0.000 1.081 278 D CA -2.648 51.101 54.000 -0.419 0.000 0.864 278 D CB 1.199 41.840 40.800 -0.266 0.000 1.040 278 D HN 0.010 nan 8.370 nan 0.000 0.517 279 P HA -0.167 nan 4.420 nan 0.000 0.219 279 P C 1.205 177.664 177.300 -1.402 0.000 1.146 279 P CA 0.760 63.080 63.100 -1.300 0.000 0.808 279 P CB 0.524 31.157 31.700 -1.779 0.000 0.779 280 K N 0.137 119.875 120.400 -1.102 0.000 2.211 280 K HA -0.041 4.278 4.320 -0.001 0.000 0.203 280 K C 1.797 178.223 176.600 -0.291 0.000 1.050 280 K CA 0.868 56.816 56.287 -0.565 0.000 0.945 280 K CB -0.110 32.254 32.500 -0.227 0.000 0.732 280 K HN -0.052 nan 8.250 nan 0.000 0.451 281 V N 0.285 120.028 119.914 -0.285 0.000 2.379 281 V HA -0.217 3.902 4.120 -0.001 0.000 0.243 281 V C 2.349 178.418 176.094 -0.042 0.000 1.035 281 V CA 1.211 63.441 62.300 -0.117 0.000 1.035 281 V CB -0.254 31.512 31.823 -0.094 0.000 0.673 281 V HN 0.450 nan 8.190 nan 0.000 0.457 282 c N -0.600 117.895 118.600 -0.177 0.000 2.411 282 c HA -0.218 4.352 4.570 -0.001 0.000 0.279 282 c C 2.993 177.048 174.090 -0.058 0.000 1.288 282 c CA 0.933 57.210 56.329 -0.086 0.000 1.764 282 c CB -1.490 40.886 42.510 -0.224 0.000 1.974 282 c HN 0.763 nan 8.230 nan 0.000 0.498 283 c N 0.751 119.236 118.600 -0.192 0.000 2.422 283 c HA -0.146 4.423 4.570 -0.001 0.000 0.279 283 c C 2.619 176.615 174.090 -0.156 0.000 1.305 283 c CA 1.225 57.497 56.329 -0.096 0.000 1.757 283 c CB -1.452 41.092 42.510 0.057 0.000 1.962 283 c HN 0.641 nan 8.230 nan 0.000 0.499 284 Q N -1.347 118.318 119.800 -0.226 0.000 2.488 284 Q HA -0.026 4.313 4.340 -0.001 0.000 0.211 284 Q C 0.596 176.006 176.000 -0.984 0.000 0.967 284 Q CA 0.992 56.486 55.803 -0.515 0.000 0.926 284 Q CB -0.032 28.382 28.738 -0.541 0.000 0.992 284 Q HN 0.749 nan 8.270 nan 0.000 0.506 285 F N -0.218 119.453 119.950 -0.465 0.000 2.735 285 F HA 0.166 4.692 4.527 -0.001 0.000 0.304 285 F C 0.182 175.692 175.800 -0.484 0.000 1.119 285 F CA -0.598 57.015 58.000 -0.645 0.000 1.280 285 F CB 0.804 39.660 39.000 -0.241 0.000 0.994 285 F HN -0.145 nan 8.300 nan 0.000 0.520 286 D N 0.125 120.306 120.400 -0.364 0.000 2.485 286 D HA 0.132 4.771 4.640 -0.001 0.000 0.229 286 D C 0.531 176.652 176.300 -0.299 0.000 1.101 286 D CA -0.436 53.474 54.000 -0.150 0.000 0.906 286 D CB 0.114 40.873 40.800 -0.068 0.000 1.019 286 D HN 0.102 nan 8.370 nan 0.000 0.516 287 F N 1.791 121.746 119.950 0.010 0.000 2.722 287 F HA 0.045 4.572 4.527 -0.001 0.000 0.298 287 F C 2.323 178.074 175.800 -0.082 0.000 1.175 287 F CA 0.394 58.372 58.000 -0.037 0.000 1.462 287 F CB 0.057 39.052 39.000 -0.008 0.000 1.111 287 F HN 0.259 nan 8.300 nan 0.000 0.592 288 K N 0.754 121.093 120.400 -0.102 0.000 2.444 288 K HA 0.082 4.401 4.320 -0.001 0.000 0.193 288 K C 0.923 177.483 176.600 -0.066 0.000 1.024 288 K CA 0.127 56.221 56.287 -0.322 0.000 1.077 288 K CB 0.153 32.301 32.500 -0.586 0.000 0.833 288 K HN 0.180 nan 8.250 nan 0.000 0.517 289 R N 0.255 120.743 120.500 -0.020 0.000 2.702 289 R HA 0.213 4.552 4.340 -0.001 0.000 0.314 289 R C 0.764 177.091 176.300 0.045 0.000 1.152 289 R CA -0.166 55.946 56.100 0.020 0.000 1.097 289 R CB 0.227 30.517 30.300 -0.017 0.000 1.343 289 R HN 0.190 nan 8.270 nan 0.000 0.575 290 M N -1.122 118.544 119.600 0.110 0.000 2.465 290 M HA 0.169 4.648 4.480 -0.001 0.000 0.249 290 M C 1.161 177.501 176.300 0.068 0.000 1.130 290 M CA 0.734 56.080 55.300 0.077 0.000 1.067 290 M CB 0.988 33.645 32.600 0.094 0.000 1.394 290 M HN 0.529 nan 8.290 nan 0.000 0.483 291 G N -0.198 108.660 108.800 0.096 0.000 4.025 291 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.195 291 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.195 291 G C 0.965 175.871 174.900 0.011 0.000 1.546 291 G CA 0.228 45.355 45.100 0.045 0.000 1.007 291 G HN 0.369 nan 8.290 nan 0.000 0.388 292 S N 0.449 116.112 115.700 -0.061 0.000 2.440 292 S HA 0.107 4.577 4.470 -0.001 0.000 0.238 292 S C 1.781 176.192 174.600 -0.316 0.000 1.010 292 S CA 1.715 59.779 58.200 -0.228 0.000 0.972 292 S CB -0.474 62.503 63.200 -0.372 0.000 0.774 292 S HN 0.403 nan 8.310 nan 0.000 0.501 293 F N 1.732 121.679 119.950 -0.006 0.000 2.727 293 F HA 0.424 4.951 4.527 -0.001 0.000 0.302 293 F C 1.886 177.683 175.800 -0.004 0.000 1.097 293 F CA 0.025 58.020 58.000 -0.007 0.000 1.330 293 F CB -0.100 38.892 39.000 -0.013 0.000 1.084 293 F HN 0.364 nan 8.300 nan 0.000 0.578 294 G N 1.240 110.115 108.800 0.126 0.000 2.160 294 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.251 294 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.251 294 G C -0.165 174.788 174.900 0.087 0.000 1.008 294 G CA 0.070 45.219 45.100 0.081 0.000 0.724 294 G HN 0.314 nan 8.290 nan 0.000 0.514 295 L N -0.017 121.271 121.223 0.108 0.000 2.323 295 L HA 0.880 5.219 4.340 -0.001 0.000 0.265 295 L C 0.472 177.375 176.870 0.054 0.000 1.012 295 L CA -0.396 54.488 54.840 0.073 0.000 0.820 295 L CB 2.397 44.496 42.059 0.067 0.000 1.334 295 L HN 0.474 nan 8.230 nan 0.000 0.427 296 S N -0.905 114.814 115.700 0.032 0.000 2.656 296 S HA 0.518 4.988 4.470 -0.001 0.000 0.273 296 S C -1.285 173.326 174.600 0.019 0.000 1.168 296 S CA -0.824 57.387 58.200 0.018 0.000 0.817 296 S CB 1.532 64.733 63.200 0.002 0.000 1.146 296 S HN 0.517 nan 8.310 nan 0.000 0.475 297 c N 3.195 121.811 118.600 0.026 0.000 2.265 297 c HA 0.535 5.104 4.570 -0.001 0.000 0.332 297 c C -0.859 173.219 174.090 -0.020 0.000 1.248 297 c CA -1.157 55.223 56.329 0.086 0.000 1.727 297 c CB 0.753 43.349 42.510 0.143 0.000 2.348 297 c HN 0.759 nan 8.230 nan 0.000 0.519 298 P HA -0.091 nan 4.420 nan 0.000 0.226 298 P C 1.089 178.103 177.300 -0.476 0.000 1.153 298 P CA 1.225 64.058 63.100 -0.445 0.000 0.777 298 P CB 0.085 31.362 31.700 -0.706 0.000 0.794 299 W N 0.945 122.222 121.300 -0.039 0.000 3.180 299 W HA 0.139 4.798 4.660 -0.001 0.000 0.254 299 W C 0.728 177.220 176.519 -0.045 0.000 1.318 299 W CA 0.206 57.523 57.345 -0.045 0.000 1.608 299 W CB -0.516 28.908 29.460 -0.061 0.000 1.124 299 W HN 0.169 nan 8.180 nan 0.000 0.694 300 K N -1.187 119.255 120.400 0.069 0.000 3.500 300 K HA -0.188 4.131 4.320 -0.001 0.000 0.313 300 K C -0.300 176.320 176.600 0.033 0.000 1.338 300 K CA 0.593 56.898 56.287 0.030 0.000 0.963 300 K CB -2.088 30.418 32.500 0.010 0.000 1.267 300 K HN -0.087 nan 8.250 nan 0.000 0.448 301 V N 2.014 121.961 119.914 0.054 0.000 2.378 301 V HA 0.326 4.445 4.120 -0.001 0.000 0.288 301 V C -1.771 174.311 176.094 -0.020 0.000 1.016 301 V CA -1.529 60.775 62.300 0.005 0.000 0.840 301 V CB 1.501 33.321 31.823 -0.004 0.000 0.994 301 V HN -0.022 nan 8.190 nan 0.000 0.431 302 P HA 0.439 nan 4.420 nan 0.000 0.278 302 P C -2.839 174.371 177.300 -0.151 0.000 1.258 302 P CA -2.094 60.963 63.100 -0.072 0.000 0.811 302 P CB 0.959 32.632 31.700 -0.046 0.000 1.063 303 P HA 0.325 nan 4.420 nan 0.000 0.274 303 P C -0.509 176.683 177.300 -0.181 0.000 1.237 303 P CA -0.105 62.784 63.100 -0.351 0.000 0.793 303 P CB 0.862 32.267 31.700 -0.490 0.000 0.977 304 R N -0.292 120.113 120.500 -0.157 0.000 2.628 304 R HA 0.385 4.725 4.340 -0.001 0.000 0.288 304 R C -0.324 176.025 176.300 0.083 0.000 0.980 304 R CA -0.514 55.564 56.100 -0.037 0.000 0.891 304 R CB 1.351 31.599 30.300 -0.086 0.000 1.188 304 R HN 0.353 nan 8.270 nan 0.000 0.450 305 T N 4.261 118.859 114.554 0.073 0.000 2.905 305 T HA 0.046 4.396 4.350 -0.001 0.000 0.299 305 T C 0.678 175.363 174.700 -0.026 0.000 1.024 305 T CA 0.195 62.314 62.100 0.031 0.000 1.151 305 T CB 0.120 68.988 68.868 -0.000 0.000 0.987 305 T HN 0.194 nan 8.240 nan 0.000 0.535 306 I N 3.913 124.419 120.570 -0.106 0.000 2.529 306 I HA 0.272 4.441 4.170 -0.001 0.000 0.284 306 I C 0.990 177.052 176.117 -0.091 0.000 1.082 306 I CA 0.074 61.311 61.300 -0.104 0.000 1.406 306 I CB 0.422 38.320 38.000 -0.170 0.000 1.405 306 I HN 0.786 nan 8.210 nan 0.000 0.548 307 S N 3.341 118.999 115.700 -0.070 0.000 2.685 307 S HA 0.432 4.902 4.470 -0.001 0.000 0.282 307 S C 0.223 174.789 174.600 -0.057 0.000 1.159 307 S CA -0.739 57.429 58.200 -0.055 0.000 0.833 307 S CB 1.957 65.133 63.200 -0.040 0.000 1.151 307 S HN 0.475 nan 8.310 nan 0.000 0.485 308 D N 0.597 120.974 120.400 -0.038 0.000 2.218 308 D HA -0.013 4.626 4.640 -0.001 0.000 0.204 308 D C 1.546 177.821 176.300 -0.042 0.000 0.976 308 D CA 1.425 55.405 54.000 -0.033 0.000 0.853 308 D CB -0.210 40.586 40.800 -0.007 0.000 0.939 308 D HN 0.527 nan 8.370 nan 0.000 0.481 309 Q N -0.229 119.550 119.800 -0.035 0.000 2.432 309 Q HA 0.035 4.374 4.340 -0.001 0.000 0.205 309 Q C 1.005 176.979 176.000 -0.042 0.000 0.945 309 Q CA 0.644 56.428 55.803 -0.031 0.000 0.924 309 Q CB 0.061 28.786 28.738 -0.022 0.000 1.016 309 Q HN 0.362 nan 8.270 nan 0.000 0.503 310 N N -1.995 116.671 118.700 -0.057 0.000 2.171 310 N HA -0.015 4.724 4.740 -0.001 0.000 0.212 310 N C 1.047 176.505 175.510 -0.087 0.000 1.184 310 N CA 0.084 53.099 53.050 -0.058 0.000 0.888 310 N CB -0.275 38.185 38.487 -0.045 0.000 1.038 310 N HN 0.028 nan 8.380 nan 0.000 0.517 311 V N 0.629 120.456 119.914 -0.145 0.000 2.392 311 V HA -0.127 3.993 4.120 -0.001 0.000 0.249 311 V C 2.262 178.137 176.094 -0.366 0.000 1.059 311 V CA 2.166 64.323 62.300 -0.238 0.000 1.051 311 V CB -0.889 30.760 31.823 -0.290 0.000 0.658 311 V HN 0.453 nan 8.190 nan 0.000 0.455 312 A N -0.334 122.251 122.820 -0.392 0.000 1.902 312 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 312 A C 2.395 180.026 177.584 0.079 0.000 1.181 312 A CA 2.091 54.040 52.037 -0.147 0.000 0.623 312 A CB -0.924 18.097 19.000 0.035 0.000 0.818 312 A HN 0.792 nan 8.150 nan 0.000 0.443 313 A N -0.688 122.147 122.820 0.025 0.000 1.929 313 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 313 A C 2.221 179.845 177.584 0.067 0.000 1.176 313 A CA 1.146 53.216 52.037 0.056 0.000 0.628 313 A CB -0.363 18.652 19.000 0.024 0.000 0.816 313 A HN 0.395 nan 8.150 nan 0.000 0.444 314 R N 0.056 120.586 120.500 0.051 0.000 2.075 314 R HA -0.028 4.312 4.340 -0.001 0.000 0.232 314 R C 2.378 178.732 176.300 0.091 0.000 1.126 314 R CA 1.487 57.675 56.100 0.147 0.000 0.963 314 R CB -0.958 29.422 30.300 0.135 0.000 0.858 314 R HN 0.511 nan 8.270 nan 0.000 0.435 315 S N 1.247 116.944 115.700 -0.004 0.000 2.368 315 S HA -0.160 4.310 4.470 -0.001 0.000 0.225 315 S C 1.534 176.019 174.600 -0.192 0.000 1.030 315 S CA 1.562 59.665 58.200 -0.161 0.000 0.999 315 S CB -0.305 62.934 63.200 0.065 0.000 0.844 315 S HN 0.317 nan 8.310 nan 0.000 0.459 316 D N 1.171 121.651 120.400 0.133 0.000 2.123 316 D HA -0.064 4.575 4.640 -0.001 0.000 0.196 316 D C 1.853 178.173 176.300 0.032 0.000 0.992 316 D CA 0.907 55.047 54.000 0.234 0.000 0.833 316 D CB -0.187 40.778 40.800 0.274 0.000 0.954 316 D HN 0.250 nan 8.370 nan 0.000 0.455 317 L N -0.337 120.878 121.223 -0.012 0.000 2.017 317 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 317 L C 2.314 179.019 176.870 -0.276 0.000 1.073 317 L CA 0.557 55.365 54.840 -0.054 0.000 0.745 317 L CB -0.330 41.769 42.059 0.067 0.000 0.894 317 L HN 0.218 nan 8.230 nan 0.000 0.432 318 L N -0.677 120.205 121.223 -0.567 0.000 2.005 318 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 318 L C 2.368 178.568 176.870 -1.116 0.000 1.072 318 L CA 1.613 55.785 54.840 -1.113 0.000 0.744 318 L CB -0.470 40.635 42.059 -1.591 0.000 0.895 318 L HN -0.083 nan 8.230 nan 0.000 0.433 319 V N 0.109 119.473 119.914 -0.917 0.000 2.469 319 V HA -0.328 3.791 4.120 -0.001 0.000 0.251 319 V C 2.318 178.251 176.094 -0.268 0.000 1.064 319 V CA 1.993 63.919 62.300 -0.625 0.000 1.066 319 V CB -0.831 30.613 31.823 -0.631 0.000 0.667 319 V HN 0.615 nan 8.190 nan 0.000 0.461 320 D N -0.971 119.329 120.400 -0.168 0.000 2.144 320 D HA -0.187 4.453 4.640 -0.001 0.000 0.200 320 D C 2.228 178.514 176.300 -0.025 0.000 0.978 320 D CA 1.011 55.026 54.000 0.026 0.000 0.833 320 D CB -0.014 40.858 40.800 0.120 0.000 0.961 320 D HN 0.281 nan 8.370 nan 0.000 0.470 321 Q N -0.500 119.213 119.800 -0.144 0.000 2.084 321 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 321 Q C 2.062 178.078 176.000 0.027 0.000 0.978 321 Q CA 0.930 56.671 55.803 -0.104 0.000 0.844 321 Q CB -0.547 28.062 28.738 -0.214 0.000 0.898 321 Q HN 0.543 nan 8.270 nan 0.000 0.426 322 W N 1.446 122.645 121.300 -0.169 0.000 2.355 322 W HA -0.100 4.560 4.660 -0.001 0.000 0.309 322 W C 2.110 178.517 176.519 -0.186 0.000 1.206 322 W CA 0.757 58.001 57.345 -0.170 0.000 1.284 322 W CB -0.681 28.649 29.460 -0.216 0.000 1.145 322 W HN 0.205 nan 8.180 nan 0.000 0.502 323 K N 0.133 120.498 120.400 -0.057 0.000 2.148 323 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 323 K C 1.960 178.414 176.600 -0.244 0.000 1.050 323 K CA 1.307 57.399 56.287 -0.325 0.000 0.942 323 K CB -0.178 31.787 32.500 -0.892 0.000 0.724 323 K HN 0.069 nan 8.250 nan 0.000 0.446 324 K N 0.773 121.126 120.400 -0.079 0.000 2.025 324 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 324 K C 2.083 178.759 176.600 0.125 0.000 1.049 324 K CA 1.100 57.465 56.287 0.130 0.000 0.933 324 K CB 0.010 32.602 32.500 0.154 0.000 0.714 324 K HN 0.005 nan 8.250 nan 0.000 0.438 325 K N 0.912 121.389 120.400 0.127 0.000 2.057 325 K HA -0.128 4.191 4.320 -0.001 0.000 0.207 325 K C 2.058 178.777 176.600 0.198 0.000 1.049 325 K CA 1.242 57.630 56.287 0.169 0.000 0.931 325 K CB -0.104 32.515 32.500 0.198 0.000 0.714 325 K HN 0.133 nan 8.250 nan 0.000 0.440 326 A N 1.351 124.269 122.820 0.164 0.000 2.024 326 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 326 A C 1.731 179.482 177.584 0.279 0.000 1.164 326 A CA 1.483 53.651 52.037 0.218 0.000 0.643 326 A CB -0.363 18.721 19.000 0.140 0.000 0.806 326 A HN 0.329 nan 8.150 nan 0.000 0.451 327 E N -0.052 120.291 120.200 0.238 0.000 2.338 327 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 327 E C 1.626 178.351 176.600 0.208 0.000 1.007 327 E CA 0.649 57.199 56.400 0.249 0.000 0.849 327 E CB -0.237 29.638 29.700 0.291 0.000 0.774 327 E HN 0.737 nan 8.360 nan 0.000 0.506 328 L N -0.627 120.673 121.223 0.128 0.000 2.558 328 L HA 0.050 4.389 4.340 -0.001 0.000 0.225 328 L C 0.291 176.937 176.870 -0.373 0.000 1.128 328 L CA 0.245 55.024 54.840 -0.101 0.000 0.868 328 L CB -0.104 41.779 42.059 -0.292 0.000 1.006 328 L HN -0.007 nan 8.230 nan 0.000 0.454 329 Y N -1.488 118.895 120.300 0.139 0.000 2.630 329 Y HA 0.381 4.930 4.550 -0.001 0.000 0.337 329 Y C 1.202 177.218 175.900 0.194 0.000 1.051 329 Y CA -0.969 57.235 58.100 0.173 0.000 1.121 329 Y CB 1.137 39.711 38.460 0.190 0.000 1.299 329 Y HN -0.282 nan 8.280 nan 0.000 0.498 330 R N -0.550 120.188 120.500 0.396 0.000 2.254 330 R HA 0.077 4.416 4.340 -0.001 0.000 0.195 330 R C 0.360 176.789 176.300 0.216 0.000 0.957 330 R CA 0.820 57.064 56.100 0.240 0.000 1.024 330 R CB 0.180 30.551 30.300 0.119 0.000 0.952 330 R HN 0.764 nan 8.270 nan 0.000 0.484 331 T N -0.904 113.821 114.554 0.285 0.000 2.889 331 T HA 0.111 4.461 4.350 -0.001 0.000 0.278 331 T C 0.611 175.454 174.700 0.238 0.000 0.995 331 T CA -0.937 61.297 62.100 0.223 0.000 0.966 331 T CB 1.167 70.148 68.868 0.189 0.000 1.237 331 T HN 0.077 nan 8.240 nan 0.000 0.591 332 N N -0.059 118.751 118.700 0.182 0.000 2.327 332 N HA 0.145 4.884 4.740 -0.001 0.000 0.231 332 N C -0.746 174.751 175.510 -0.023 0.000 1.130 332 N CA -0.367 52.761 53.050 0.130 0.000 0.845 332 N CB -0.033 38.447 38.487 -0.013 0.000 1.073 332 N HN 0.366 nan 8.380 nan 0.000 0.496 333 V N 1.439 121.370 119.914 0.028 0.000 2.378 333 V HA 0.385 4.504 4.120 -0.001 0.000 0.288 333 V C -0.646 175.530 176.094 0.137 0.000 1.016 333 V CA -0.943 61.370 62.300 0.022 0.000 0.840 333 V CB 1.534 33.349 31.823 -0.012 0.000 0.994 333 V HN 0.173 nan 8.190 nan 0.000 0.431 334 L N 5.982 127.218 121.223 0.022 0.000 2.313 334 L HA 0.658 4.997 4.340 -0.001 0.000 0.283 334 L C -0.751 175.991 176.870 -0.213 0.000 1.013 334 L CA -0.435 54.347 54.840 -0.096 0.000 0.816 334 L CB 1.583 43.480 42.059 -0.270 0.000 1.236 334 L HN 0.630 nan 8.230 nan 0.000 0.419 335 L N 6.580 127.478 121.223 -0.541 0.000 2.265 335 L HA 0.538 4.878 4.340 -0.001 0.000 0.288 335 L C -0.989 175.594 176.870 -0.478 0.000 1.058 335 L CA 0.232 54.580 54.840 -0.821 0.000 0.809 335 L CB 0.621 41.704 42.059 -1.627 0.000 1.179 335 L HN 0.433 nan 8.230 nan 0.000 0.429 336 I N 7.467 127.841 120.570 -0.326 0.000 2.537 336 I HA 0.339 4.508 4.170 -0.001 0.000 0.276 336 I C -2.311 173.790 176.117 -0.026 0.000 1.063 336 I CA -1.976 59.225 61.300 -0.165 0.000 1.144 336 I CB 1.101 38.980 38.000 -0.201 0.000 1.252 336 I HN 0.426 nan 8.210 nan 0.000 0.480 337 P HA 0.175 nan 4.420 nan 0.000 0.269 337 P C -0.471 177.010 177.300 0.302 0.000 1.209 337 P CA -0.236 63.006 63.100 0.237 0.000 0.776 337 P CB 0.876 32.754 31.700 0.295 0.000 0.876 338 L N 3.053 124.487 121.223 0.352 0.000 2.454 338 L HA 0.765 5.104 4.340 -0.001 0.000 0.258 338 L C -0.116 176.805 176.870 0.085 0.000 1.025 338 L CA 0.382 55.348 54.840 0.209 0.000 0.901 338 L CB 0.495 42.613 42.059 0.099 0.000 1.210 338 L HN 0.614 nan 8.230 nan 0.000 0.457 339 G N 1.806 110.549 108.800 -0.095 0.000 2.342 339 G HA2 0.466 4.426 3.960 -0.001 0.000 0.297 339 G HA3 0.466 4.426 3.960 -0.001 0.000 0.297 339 G C -2.201 172.610 174.900 -0.149 0.000 1.313 339 G CA -0.256 44.566 45.100 -0.464 0.000 0.830 339 G HN 0.401 nan 8.290 nan 0.000 0.506 340 D N -1.714 118.666 120.400 -0.034 0.000 2.865 340 D HA 0.305 4.944 4.640 -0.001 0.000 0.343 340 D C -1.467 174.987 176.300 0.256 0.000 1.372 340 D CA -0.441 53.708 54.000 0.248 0.000 0.862 340 D CB 1.451 42.338 40.800 0.145 0.000 1.425 340 D HN 0.218 nan 8.370 nan 0.000 0.501 341 D N 0.428 121.035 120.400 0.344 0.000 2.450 341 D HA 0.190 4.829 4.640 -0.001 0.000 0.247 341 D C 0.183 176.649 176.300 0.276 0.000 1.162 341 D CA 0.546 54.734 54.000 0.314 0.000 0.879 341 D CB -0.342 40.753 40.800 0.491 0.000 1.163 341 D HN 0.339 nan 8.370 nan 0.000 0.472 342 F N 0.300 120.317 119.950 0.113 0.000 3.048 342 F HA -0.315 4.211 4.527 -0.001 0.000 0.269 342 F C 1.178 177.020 175.800 0.069 0.000 0.960 342 F CA 0.589 58.630 58.000 0.068 0.000 0.909 342 F CB -0.830 38.195 39.000 0.041 0.000 0.837 342 F HN 0.217 nan 8.300 nan 0.000 0.768 343 R N -0.448 120.134 120.500 0.137 0.000 2.580 343 R HA 0.474 4.814 4.340 -0.001 0.000 0.267 343 R C 0.759 177.066 176.300 0.012 0.000 1.125 343 R CA -0.782 55.281 56.100 -0.062 0.000 1.188 343 R CB -0.081 30.074 30.300 -0.242 0.000 1.155 343 R HN 0.241 nan 8.270 nan 0.000 0.586 344 F N -0.610 119.166 119.950 -0.290 0.000 3.074 344 F HA -0.290 4.236 4.527 -0.001 0.000 0.287 344 F C 1.413 177.157 175.800 -0.093 0.000 0.932 344 F CA 1.057 58.686 58.000 -0.620 0.000 0.995 344 F CB -0.889 37.459 39.000 -1.087 0.000 0.966 344 F HN 0.588 nan 8.300 nan 0.000 0.721 345 K N 0.176 120.625 120.400 0.081 0.000 2.078 345 K HA 0.052 4.372 4.320 -0.001 0.000 0.203 345 K C 0.713 177.476 176.600 0.272 0.000 1.043 345 K CA 0.821 57.245 56.287 0.228 0.000 0.960 345 K CB 0.212 32.817 32.500 0.175 0.000 0.761 345 K HN 0.447 nan 8.250 nan 0.000 0.448 346 Q N 0.531 120.456 119.800 0.208 0.000 2.259 346 Q HA 0.131 4.471 4.340 -0.001 0.000 0.246 346 Q C 0.245 176.464 176.000 0.365 0.000 0.920 346 Q CA -0.270 55.689 55.803 0.260 0.000 0.895 346 Q CB 1.312 30.219 28.738 0.282 0.000 1.220 346 Q HN 0.265 nan 8.270 nan 0.000 0.439 347 N N 0.082 118.977 118.700 0.326 0.000 2.149 347 N HA -0.206 4.533 4.740 -0.001 0.000 0.188 347 N C 1.513 177.227 175.510 0.339 0.000 1.019 347 N CA 1.834 55.100 53.050 0.360 0.000 0.857 347 N CB -0.003 38.630 38.487 0.243 0.000 0.997 347 N HN 0.688 nan 8.380 nan 0.000 0.426 348 T N -1.312 113.416 114.554 0.291 0.000 2.915 348 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 348 T C 1.641 176.543 174.700 0.338 0.000 1.071 348 T CA 1.016 63.296 62.100 0.299 0.000 1.132 348 T CB -0.182 68.848 68.868 0.271 0.000 0.878 348 T HN 0.321 nan 8.240 nan 0.000 0.479 349 E N -0.107 120.245 120.200 0.253 0.000 2.046 349 E HA -0.108 4.241 4.350 -0.001 0.000 0.190 349 E C 1.832 178.339 176.600 -0.156 0.000 0.982 349 E CA 0.802 57.111 56.400 -0.151 0.000 0.800 349 E CB -0.272 29.166 29.700 -0.437 0.000 0.756 349 E HN 0.685 nan 8.360 nan 0.000 0.449 350 W N 1.821 123.053 121.300 -0.112 0.000 2.318 350 W HA -0.207 4.452 4.660 -0.001 0.000 0.313 350 W C 2.168 178.524 176.519 -0.272 0.000 1.221 350 W CA 1.393 58.587 57.345 -0.252 0.000 1.266 350 W CB -0.357 28.665 29.460 -0.729 0.000 1.150 350 W HN 0.201 nan 8.180 nan 0.000 0.496 351 D N -0.504 119.951 120.400 0.091 0.000 2.104 351 D HA -0.186 4.453 4.640 -0.001 0.000 0.194 351 D C 2.277 178.640 176.300 0.105 0.000 0.994 351 D CA 1.618 55.711 54.000 0.154 0.000 0.830 351 D CB -1.058 39.871 40.800 0.215 0.000 0.959 351 D HN 0.026 nan 8.370 nan 0.000 0.452 352 V N 0.933 120.906 119.914 0.099 0.000 2.407 352 V HA -0.217 3.903 4.120 -0.001 0.000 0.248 352 V C 2.274 178.392 176.094 0.039 0.000 1.055 352 V CA 1.593 63.936 62.300 0.072 0.000 1.049 352 V CB -0.089 31.830 31.823 0.161 0.000 0.662 352 V HN 0.163 nan 8.190 nan 0.000 0.455 353 Q N -0.355 119.498 119.800 0.088 0.000 2.049 353 Q HA -0.184 4.155 4.340 -0.001 0.000 0.198 353 Q C 2.346 178.529 176.000 0.304 0.000 0.971 353 Q CA 1.891 57.843 55.803 0.248 0.000 0.833 353 Q CB -0.488 28.356 28.738 0.176 0.000 0.896 353 Q HN 0.624 nan 8.270 nan 0.000 0.434 354 R N 0.550 121.172 120.500 0.204 0.000 2.073 354 R HA -0.111 4.228 4.340 -0.001 0.000 0.234 354 R C 2.257 178.706 176.300 0.249 0.000 1.134 354 R CA 1.424 57.685 56.100 0.268 0.000 0.952 354 R CB -0.149 30.255 30.300 0.174 0.000 0.850 354 R HN 0.056 nan 8.270 nan 0.000 0.433 355 V N 2.132 122.114 119.914 0.112 0.000 2.295 355 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 355 V C 2.079 178.107 176.094 -0.111 0.000 1.049 355 V CA 2.057 64.374 62.300 0.029 0.000 1.024 355 V CB -0.666 31.163 31.823 0.010 0.000 0.648 355 V HN 0.459 nan 8.190 nan 0.000 0.447 356 N N -0.800 117.717 118.700 -0.305 0.000 2.120 356 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 356 N C 1.857 177.053 175.510 -0.524 0.000 1.024 356 N CA 1.743 54.409 53.050 -0.640 0.000 0.852 356 N CB -0.355 37.145 38.487 -1.645 0.000 1.003 356 N HN 0.543 nan 8.380 nan 0.000 0.424 357 Y N 1.882 121.992 120.300 -0.316 0.000 2.242 357 Y HA -0.085 4.464 4.550 -0.001 0.000 0.291 357 Y C 2.401 177.826 175.900 -0.793 0.000 1.137 357 Y CA 1.030 58.832 58.100 -0.496 0.000 1.181 357 Y CB -0.084 38.199 38.460 -0.296 0.000 0.989 357 Y HN 0.135 nan 8.280 nan 0.000 0.527 358 E N -0.210 119.876 120.200 -0.189 0.000 2.085 358 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 358 E C 2.222 178.776 176.600 -0.077 0.000 0.994 358 E CA 1.103 57.465 56.400 -0.063 0.000 0.801 358 E CB -0.120 29.651 29.700 0.120 0.000 0.743 358 E HN 0.465 nan 8.360 nan 0.000 0.453 359 R N 0.315 120.746 120.500 -0.116 0.000 2.081 359 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 359 R C 2.485 178.753 176.300 -0.053 0.000 1.131 359 R CA 0.934 56.992 56.100 -0.071 0.000 0.960 359 R CB -0.289 29.948 30.300 -0.105 0.000 0.856 359 R HN 0.166 nan 8.270 nan 0.000 0.436 360 L N -0.396 120.728 121.223 -0.165 0.000 2.017 360 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 360 L C 2.263 179.178 176.870 0.074 0.000 1.073 360 L CA 1.526 56.304 54.840 -0.102 0.000 0.745 360 L CB -0.468 41.445 42.059 -0.244 0.000 0.894 360 L HN 0.169 nan 8.230 nan 0.000 0.432 361 F N -0.010 119.958 119.950 0.029 0.000 2.102 361 F HA -0.257 4.270 4.527 -0.001 0.000 0.298 361 F C 2.738 178.544 175.800 0.009 0.000 1.105 361 F CA 1.088 59.090 58.000 0.003 0.000 1.239 361 F CB -0.257 38.700 39.000 -0.071 0.000 0.991 361 F HN 0.173 nan 8.300 nan 0.000 0.474 362 E N 0.019 120.349 120.200 0.217 0.000 2.085 362 E HA -0.323 4.026 4.350 -0.001 0.000 0.194 362 E C 1.973 178.658 176.600 0.143 0.000 0.994 362 E CA 1.685 58.172 56.400 0.146 0.000 0.801 362 E CB -0.206 29.563 29.700 0.115 0.000 0.743 362 E HN 0.493 nan 8.360 nan 0.000 0.453 363 H N 0.128 119.244 119.070 0.077 0.000 2.299 363 H HA -0.035 4.520 4.556 -0.001 0.000 0.302 363 H C 2.050 177.456 175.328 0.130 0.000 1.078 363 H CA 2.086 58.190 56.048 0.093 0.000 1.323 363 H CB -0.157 29.656 29.762 0.084 0.000 1.381 363 H HN 0.151 nan 8.280 nan 0.000 0.498 364 I N 0.487 121.113 120.570 0.092 0.000 2.179 364 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 364 I C 1.645 177.774 176.117 0.019 0.000 1.088 364 I CA 1.384 62.685 61.300 0.000 0.000 1.357 364 I CB -0.303 37.643 38.000 -0.090 0.000 1.051 364 I HN 0.358 nan 8.210 nan 0.000 0.409 365 N N 0.338 119.049 118.700 0.018 0.000 2.453 365 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 365 N C 1.764 177.255 175.510 -0.031 0.000 1.041 365 N CA 1.458 54.495 53.050 -0.021 0.000 0.900 365 N CB -0.270 38.196 38.487 -0.035 0.000 0.961 365 N HN 0.417 nan 8.380 nan 0.000 0.443 366 S N -1.078 114.600 115.700 -0.037 0.000 2.524 366 S HA 0.152 4.621 4.470 -0.001 0.000 0.215 366 S C 0.511 175.061 174.600 -0.083 0.000 0.986 366 S CA -0.272 57.900 58.200 -0.047 0.000 0.911 366 S CB 0.308 63.495 63.200 -0.023 0.000 0.805 366 S HN -0.063 nan 8.310 nan 0.000 0.501 367 Q N 1.625 121.346 119.800 -0.131 0.000 2.571 367 Q HA 0.543 4.882 4.340 -0.001 0.000 0.222 367 Q C 1.151 177.005 176.000 -0.244 0.000 1.167 367 Q CA 0.135 55.812 55.803 -0.209 0.000 0.966 367 Q CB 0.806 29.323 28.738 -0.368 0.000 1.274 367 Q HN 0.465 nan 8.270 nan 0.000 0.552 368 A N 2.447 125.193 122.820 -0.123 0.000 1.940 368 A HA -0.306 4.014 4.320 -0.001 0.000 0.221 368 A C 1.645 179.163 177.584 -0.109 0.000 1.190 368 A CA 2.434 54.420 52.037 -0.086 0.000 0.647 368 A CB -0.843 18.136 19.000 -0.035 0.000 0.821 368 A HN 0.897 nan 8.150 nan 0.000 0.457 369 H N -3.351 115.643 119.070 -0.127 0.000 2.518 369 H HA -0.024 4.531 4.556 -0.001 0.000 0.292 369 H C 1.461 176.720 175.328 -0.116 0.000 1.068 369 H CA 1.569 57.525 56.048 -0.154 0.000 1.275 369 H CB -0.696 28.917 29.762 -0.249 0.000 1.375 369 H HN 0.527 nan 8.280 nan 0.000 0.563 370 F N 0.704 120.383 119.950 -0.453 0.000 2.416 370 F HA 0.039 4.566 4.527 -0.001 0.000 0.296 370 F C 0.660 176.411 175.800 -0.082 0.000 1.099 370 F CA 0.127 57.997 58.000 -0.215 0.000 1.427 370 F CB 0.093 38.938 39.000 -0.259 0.000 1.079 370 F HN 0.114 nan 8.300 nan 0.000 0.536 371 N N 0.988 119.737 118.700 0.082 0.000 2.725 371 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 371 N C -1.109 174.390 175.510 -0.018 0.000 1.031 371 N CA 0.383 53.461 53.050 0.048 0.000 0.720 371 N CB -1.473 37.087 38.487 0.121 0.000 0.930 371 N HN 0.031 nan 8.380 nan 0.000 0.543 372 V N 0.643 120.537 119.914 -0.033 0.000 2.735 372 V HA 0.414 4.533 4.120 -0.001 0.000 0.310 372 V C 0.106 176.114 176.094 -0.144 0.000 1.061 372 V CA -0.650 61.576 62.300 -0.124 0.000 0.913 372 V CB 2.480 34.260 31.823 -0.072 0.000 1.005 372 V HN 0.180 nan 8.190 nan 0.000 0.428 373 Q N 3.114 122.770 119.800 -0.240 0.000 2.347 373 Q HA 0.758 5.097 4.340 -0.001 0.000 0.265 373 Q C -0.847 174.893 176.000 -0.433 0.000 1.024 373 Q CA -0.144 55.495 55.803 -0.274 0.000 0.731 373 Q CB 1.598 30.179 28.738 -0.261 0.000 1.245 373 Q HN 0.998 nan 8.270 nan 0.000 0.472 374 A N 4.179 126.728 122.820 -0.451 0.000 2.355 374 A HA 0.915 5.234 4.320 -0.001 0.000 0.324 374 A C -1.129 175.767 177.584 -1.147 0.000 1.117 374 A CA -0.460 51.132 52.037 -0.741 0.000 0.785 374 A CB 1.213 19.936 19.000 -0.462 0.000 1.254 374 A HN 0.812 nan 8.150 nan 0.000 0.453 375 Q N 0.698 119.720 119.800 -1.297 0.000 2.687 375 Q HA 0.506 4.845 4.340 -0.001 0.000 0.295 375 Q C -1.654 173.918 176.000 -0.714 0.000 0.920 375 Q CA -0.759 54.324 55.803 -1.201 0.000 0.766 375 Q CB 0.804 29.214 28.738 -0.545 0.000 1.467 375 Q HN 0.490 nan 8.270 nan 0.000 0.415 376 F N 0.203 120.067 119.950 -0.143 0.000 2.471 376 F HA 0.629 5.156 4.527 -0.001 0.000 0.353 376 F C 1.113 176.957 175.800 0.073 0.000 1.113 376 F CA 1.015 59.055 58.000 0.066 0.000 1.262 376 F CB 1.426 40.516 39.000 0.151 0.000 1.146 376 F HN 0.743 nan 8.300 nan 0.000 0.578 377 G N 0.645 109.618 108.800 0.287 0.000 2.687 377 G HA2 0.567 4.527 3.960 -0.001 0.000 0.291 377 G HA3 0.567 4.527 3.960 -0.001 0.000 0.291 377 G C -1.210 173.677 174.900 -0.022 0.000 1.420 377 G CA -0.758 44.438 45.100 0.159 0.000 0.796 377 G HN 0.639 nan 8.290 nan 0.000 0.485 378 T N -1.809 112.652 114.554 -0.154 0.000 2.937 378 T HA 0.473 4.822 4.350 -0.001 0.000 0.283 378 T C 1.277 175.816 174.700 -0.268 0.000 1.012 378 T CA -0.478 61.502 62.100 -0.200 0.000 0.997 378 T CB 1.552 70.317 68.868 -0.171 0.000 1.136 378 T HN 0.575 nan 8.240 nan 0.000 0.551 379 L N 0.501 121.569 121.223 -0.259 0.000 2.046 379 L HA 0.031 4.370 4.340 -0.001 0.000 0.208 379 L C 2.730 179.553 176.870 -0.078 0.000 1.077 379 L CA 1.950 56.665 54.840 -0.207 0.000 0.747 379 L CB -1.121 40.850 42.059 -0.146 0.000 0.896 379 L HN 0.885 nan 8.230 nan 0.000 0.432 380 Q N -0.053 119.723 119.800 -0.039 0.000 2.124 380 Q HA -0.214 4.126 4.340 -0.001 0.000 0.202 380 Q C 2.074 178.005 176.000 -0.116 0.000 0.977 380 Q CA 1.897 57.714 55.803 0.023 0.000 0.850 380 Q CB -0.169 28.556 28.738 -0.021 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.171 118.864 120.200 -0.274 0.000 2.085 381 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 381 E C 1.679 177.831 176.600 -0.747 0.000 0.994 381 E CA 1.229 57.337 56.400 -0.488 0.000 0.801 381 E CB -0.307 29.002 29.700 -0.651 0.000 0.743 381 E HN 0.475 nan 8.360 nan 0.000 0.453 382 Y N 0.518 120.283 120.300 -0.892 0.000 2.114 382 Y HA -0.257 4.293 4.550 -0.001 0.000 0.284 382 Y C 1.862 177.475 175.900 -0.479 0.000 1.143 382 Y CA 1.691 59.307 58.100 -0.806 0.000 1.135 382 Y CB -0.640 37.368 38.460 -0.754 0.000 0.980 382 Y HN -0.029 nan 8.280 nan 0.000 0.499 383 F N 0.551 120.232 119.950 -0.449 0.000 2.171 383 F HA -0.241 4.286 4.527 -0.001 0.000 0.300 383 F C 2.234 177.805 175.800 -0.382 0.000 1.090 383 F CA 1.276 58.998 58.000 -0.463 0.000 1.293 383 F CB -0.324 38.605 39.000 -0.119 0.000 1.013 383 F HN 0.092 nan 8.300 nan 0.000 0.486 384 D N 0.318 120.668 120.400 -0.083 0.000 2.123 384 D HA -0.181 4.458 4.640 -0.001 0.000 0.196 384 D C 2.275 178.503 176.300 -0.121 0.000 0.992 384 D CA 1.470 55.430 54.000 -0.067 0.000 0.833 384 D CB -0.539 40.209 40.800 -0.086 0.000 0.954 384 D HN 0.254 nan 8.370 nan 0.000 0.455 385 A N 0.386 123.082 122.820 -0.207 0.000 1.930 385 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 385 A C 2.523 179.992 177.584 -0.192 0.000 1.175 385 A CA 0.916 52.877 52.037 -0.126 0.000 0.627 385 A CB -0.646 18.374 19.000 0.035 0.000 0.815 385 A HN 0.132 nan 8.150 nan 0.000 0.443 386 V N -0.047 119.617 119.914 -0.416 0.000 2.287 386 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 386 V C 2.439 178.345 176.094 -0.313 0.000 1.053 386 V CA 2.177 64.220 62.300 -0.428 0.000 1.027 386 V CB -1.014 30.370 31.823 -0.732 0.000 0.646 386 V HN 0.652 nan 8.190 nan 0.000 0.447 387 H N -0.269 118.685 119.070 -0.194 0.000 2.457 387 H HA -0.092 4.463 4.556 -0.001 0.000 0.294 387 H C 2.417 177.710 175.328 -0.057 0.000 1.064 387 H CA 1.413 57.378 56.048 -0.138 0.000 1.330 387 H CB -0.081 29.561 29.762 -0.200 0.000 1.395 387 H HN 0.563 nan 8.280 nan 0.000 0.541 388 Q N 0.153 119.970 119.800 0.027 0.000 2.079 388 Q HA -0.045 4.294 4.340 -0.001 0.000 0.200 388 Q C 2.552 178.569 176.000 0.029 0.000 0.974 388 Q CA 1.202 57.018 55.803 0.023 0.000 0.840 388 Q CB 0.029 28.770 28.738 0.004 0.000 0.898 388 Q HN 0.399 nan 8.270 nan 0.000 0.430 389 A N 1.171 124.003 122.820 0.020 0.000 1.898 389 A HA -0.259 4.061 4.320 -0.001 0.000 0.216 389 A C 1.948 179.564 177.584 0.053 0.000 1.181 389 A CA 1.608 53.669 52.037 0.041 0.000 0.620 389 A CB -0.565 18.463 19.000 0.046 0.000 0.819 389 A HN 0.459 nan 8.150 nan 0.000 0.442 390 E N -0.351 119.898 120.200 0.081 0.000 2.058 390 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 390 E C 2.195 178.839 176.600 0.072 0.000 0.997 390 E CA 1.382 57.844 56.400 0.104 0.000 0.801 390 E CB -0.143 29.727 29.700 0.283 0.000 0.746 390 E HN 0.527 nan 8.360 nan 0.000 0.450 391 R N -0.414 120.131 120.500 0.074 0.000 2.193 391 R HA -0.020 4.320 4.340 -0.001 0.000 0.229 391 R C 1.822 178.142 176.300 0.033 0.000 1.110 391 R CA 1.023 57.152 56.100 0.049 0.000 0.988 391 R CB -0.069 30.256 30.300 0.041 0.000 0.871 391 R HN 0.189 nan 8.270 nan 0.000 0.458 392 A N -0.542 122.298 122.820 0.034 0.000 2.278 392 A HA 0.255 4.575 4.320 -0.001 0.000 0.212 392 A C 1.187 178.785 177.584 0.023 0.000 1.213 392 A CA 0.561 52.616 52.037 0.029 0.000 0.840 392 A CB -0.196 18.827 19.000 0.038 0.000 0.866 392 A HN 0.405 nan 8.150 nan 0.000 0.489 393 G N -0.906 107.904 108.800 0.016 0.000 2.143 393 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.248 393 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.248 393 G C 0.766 175.661 174.900 -0.008 0.000 0.991 393 G CA 0.645 45.746 45.100 0.002 0.000 0.689 393 G HN 0.536 nan 8.290 nan 0.000 0.522 394 Q N -0.735 119.066 119.800 0.003 0.000 2.245 394 Q HA 0.464 4.803 4.340 -0.001 0.000 0.201 394 Q C 1.221 177.197 176.000 -0.040 0.000 0.955 394 Q CA 1.414 57.224 55.803 0.010 0.000 0.870 394 Q CB 0.047 28.823 28.738 0.063 0.000 0.945 394 Q HN 1.267 nan 8.270 nan 0.000 0.461 395 A N 0.259 123.011 122.820 -0.114 0.000 2.612 395 A HA 0.529 4.849 4.320 -0.001 0.000 0.293 395 A C -1.664 175.690 177.584 -0.382 0.000 1.075 395 A CA -0.815 51.062 52.037 -0.267 0.000 0.680 395 A CB 1.346 20.113 19.000 -0.388 0.000 1.279 395 A HN 0.161 nan 8.150 nan 0.000 0.411 396 E N 0.187 120.133 120.200 -0.422 0.000 2.248 396 E HA 0.622 4.972 4.350 -0.001 0.000 0.267 396 E C -1.674 174.713 176.600 -0.355 0.000 0.877 396 E CA -0.317 55.915 56.400 -0.279 0.000 0.759 396 E CB 2.141 31.787 29.700 -0.090 0.000 1.182 396 E HN 0.431 nan 8.360 nan 0.000 0.418 397 F N 2.597 122.652 119.950 0.176 0.000 2.422 397 F HA 0.411 4.938 4.527 -0.000 0.000 0.333 397 F C -1.697 174.205 175.800 0.169 0.000 1.095 397 F CA -2.076 56.051 58.000 0.212 0.000 1.038 397 F CB 1.024 40.228 39.000 0.341 0.000 1.156 397 F HN 0.281 nan 8.300 nan 0.000 0.483 398 P HA 0.164 nan 4.420 nan 0.000 0.274 398 P C -0.699 176.742 177.300 0.235 0.000 1.237 398 P CA -0.378 62.852 63.100 0.217 0.000 0.793 398 P CB 1.089 32.885 31.700 0.160 0.000 0.977 399 T N -0.721 113.924 114.554 0.151 0.000 2.928 399 T HA 0.698 5.047 4.350 -0.001 0.000 0.284 399 T C -0.296 174.437 174.700 0.055 0.000 1.008 399 T CA -0.817 61.367 62.100 0.139 0.000 1.057 399 T CB 1.145 70.072 68.868 0.098 0.000 1.018 399 T HN 0.483 nan 8.240 nan 0.000 0.493 400 L N 1.524 122.780 121.223 0.055 0.000 2.472 400 L HA 0.708 5.047 4.340 -0.001 0.000 0.260 400 L C -0.832 176.038 176.870 0.001 0.000 0.963 400 L CA -0.438 54.330 54.840 -0.120 0.000 0.829 400 L CB 2.188 43.931 42.059 -0.527 0.000 1.348 400 L HN 1.123 nan 8.230 nan 0.000 0.408 401 S N 2.378 118.034 115.700 -0.073 0.000 2.595 401 S HA 1.060 5.529 4.470 -0.001 0.000 0.281 401 S C -0.360 174.187 174.600 -0.089 0.000 1.117 401 S CA -0.015 58.203 58.200 0.030 0.000 0.873 401 S CB 2.090 65.258 63.200 -0.053 0.000 1.108 401 S HN 1.719 nan 8.310 nan 0.000 0.477 402 G N 1.033 109.831 108.800 -0.003 0.000 2.343 402 G HA2 0.334 4.293 3.960 -0.001 0.000 0.562 402 G HA3 0.334 4.293 3.960 -0.001 0.000 0.562 402 G C -1.800 173.012 174.900 -0.146 0.000 1.269 402 G CA -0.025 44.968 45.100 -0.178 0.000 1.011 402 G HN 1.291 nan 8.290 nan 0.000 0.498 403 D N -1.757 118.413 120.400 -0.383 0.000 2.687 403 D HA 0.742 5.381 4.640 -0.001 0.000 0.264 403 D C -0.642 175.142 176.300 -0.860 0.000 1.091 403 D CA -1.081 52.711 54.000 -0.346 0.000 1.123 403 D CB 1.059 41.829 40.800 -0.049 0.000 1.407 403 D HN 0.422 nan 8.370 nan 0.000 0.591 404 F N -0.400 119.434 119.950 -0.194 0.000 2.679 404 F HA 0.420 4.946 4.527 -0.001 0.000 0.354 404 F C -0.805 174.849 175.800 -0.244 0.000 1.423 404 F CA -0.644 57.239 58.000 -0.196 0.000 1.141 404 F CB 0.263 39.176 39.000 -0.146 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.676 119.454 119.950 0.300 0.000 2.546 405 F HA 0.529 5.056 4.527 -0.001 0.000 0.320 405 F C 0.460 176.531 175.800 0.451 0.000 1.076 405 F CA -1.136 57.117 58.000 0.421 0.000 0.928 405 F CB 2.030 41.268 39.000 0.397 0.000 1.189 405 F HN -0.268 nan 8.300 nan 0.000 0.465 406 T N 1.748 116.699 114.554 0.662 0.000 2.795 406 T HA 0.160 4.509 4.350 -0.001 0.000 0.282 406 T C -0.975 174.192 174.700 0.778 0.000 0.980 406 T CA -0.299 62.252 62.100 0.751 0.000 1.012 406 T CB 0.373 69.544 68.868 0.506 0.000 0.936 406 T HN 0.371 nan 8.240 nan 0.000 0.457 407 Y N 2.923 123.549 120.300 0.542 0.000 2.497 407 Y HA 0.414 4.964 4.550 -0.001 0.000 0.334 407 Y C -0.184 175.737 175.900 0.035 0.000 1.199 407 Y CA -1.055 57.188 58.100 0.239 0.000 1.425 407 Y CB 0.164 38.659 38.460 0.058 0.000 1.291 407 Y HN 0.673 nan 8.280 nan 0.000 0.562 408 A N 5.380 127.703 122.820 -0.829 0.000 2.381 408 A HA 0.328 4.648 4.320 -0.001 0.000 0.299 408 A C -0.097 176.867 177.584 -1.033 0.000 1.049 408 A CA -0.257 51.155 52.037 -1.042 0.000 0.715 408 A CB 0.616 18.703 19.000 -1.523 0.000 1.222 408 A HN 0.811 nan 8.150 nan 0.000 0.428 409 D N 1.917 121.848 120.400 -0.783 0.000 2.333 409 D HA 0.040 4.679 4.640 -0.001 0.000 0.208 409 D C 0.518 176.864 176.300 0.077 0.000 0.984 409 D CA 0.553 54.371 54.000 -0.303 0.000 0.873 409 D CB 0.183 40.918 40.800 -0.108 0.000 0.935 409 D HN 0.750 nan 8.370 nan 0.000 0.521 410 R N -1.387 119.108 120.500 -0.009 0.000 2.753 410 R HA 0.290 4.629 4.340 -0.001 0.000 0.272 410 R C 0.229 176.473 176.300 -0.093 0.000 1.034 410 R CA -0.057 55.898 56.100 -0.243 0.000 0.869 410 R CB 0.389 30.590 30.300 -0.164 0.000 1.264 410 R HN -0.020 nan 8.270 nan 0.000 0.481 411 S N 1.120 116.705 115.700 -0.191 0.000 4.135 411 S HA -0.384 4.085 4.470 -0.001 0.000 0.538 411 S C 0.682 175.397 174.600 0.191 0.000 1.522 411 S CA 1.782 60.008 58.200 0.044 0.000 3.869 411 S CB -1.583 61.618 63.200 0.002 0.000 1.628 411 S HN 1.059 nan 8.310 nan 0.000 0.492 412 D N 1.538 122.030 120.400 0.152 0.000 2.463 412 D HA 0.185 4.824 4.640 -0.001 0.000 0.224 412 D C -0.217 176.221 176.300 0.230 0.000 1.174 412 D CA -0.322 53.839 54.000 0.268 0.000 0.829 412 D CB -1.524 39.405 40.800 0.215 0.000 0.993 412 D HN 0.640 nan 8.370 nan 0.000 0.497 413 N N 0.979 119.717 118.700 0.064 0.000 2.739 413 N HA 0.039 4.779 4.740 -0.001 0.000 0.266 413 N C -0.931 174.617 175.510 0.064 0.000 1.168 413 N CA -0.263 52.819 53.050 0.054 0.000 1.055 413 N CB 0.121 38.621 38.487 0.022 0.000 1.393 413 N HN 0.138 nan 8.380 nan 0.000 0.514 414 Y N 0.253 120.643 120.300 0.149 0.000 2.316 414 Y HA 0.114 4.663 4.550 -0.001 0.000 0.331 414 Y C 0.086 176.183 175.900 0.328 0.000 1.083 414 Y CA -0.683 57.562 58.100 0.241 0.000 1.206 414 Y CB 0.543 39.097 38.460 0.156 0.000 1.195 414 Y HN 0.376 nan 8.280 nan 0.000 0.497 415 W N 2.542 123.953 121.300 0.186 0.000 1.496 415 W HA 0.222 4.881 4.660 -0.001 0.000 0.422 415 W C 0.784 177.320 176.519 0.028 0.000 0.638 415 W CA -0.618 56.871 57.345 0.239 0.000 2.105 415 W CB -0.634 29.080 29.460 0.423 0.000 1.639 415 W HN 0.539 nan 8.180 nan 0.000 0.304 416 S N -2.004 113.699 115.700 0.005 0.000 2.524 416 S HA 0.136 4.606 4.470 -0.001 0.000 0.215 416 S C 1.970 176.274 174.600 -0.494 0.000 0.986 416 S CA 0.296 58.107 58.200 -0.648 0.000 0.911 416 S CB 0.170 63.337 63.200 -0.053 0.000 0.805 416 S HN 0.351 nan 8.310 nan 0.000 0.501 417 G N 2.190 110.914 108.800 -0.128 0.000 2.418 417 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 417 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 417 G C 1.264 176.146 174.900 -0.031 0.000 1.158 417 G CA 0.965 46.010 45.100 -0.091 0.000 0.771 417 G HN 0.789 nan 8.290 nan 0.000 0.545 418 Y N -0.593 119.686 120.300 -0.035 0.000 2.639 418 Y HA 0.105 4.655 4.550 -0.001 0.000 0.297 418 Y C 1.951 177.989 175.900 0.230 0.000 1.151 418 Y CA 0.211 58.370 58.100 0.099 0.000 1.335 418 Y CB -0.571 38.030 38.460 0.235 0.000 0.994 418 Y HN 0.369 nan 8.280 nan 0.000 0.548 419 Y N 0.097 120.199 120.300 -0.330 0.000 2.571 419 Y HA -0.072 4.478 4.550 -0.001 0.000 0.294 419 Y C 1.474 177.331 175.900 -0.072 0.000 1.141 419 Y CA 0.551 58.477 58.100 -0.291 0.000 1.308 419 Y CB 0.221 38.541 38.460 -0.232 0.000 1.002 419 Y HN 0.252 nan 8.280 nan 0.000 0.551 420 T N -2.232 112.398 114.554 0.128 0.000 2.980 420 T HA 0.042 4.391 4.350 -0.001 0.000 0.252 420 T C 0.633 175.426 174.700 0.155 0.000 0.962 420 T CA -0.163 62.011 62.100 0.123 0.000 0.932 420 T CB 0.120 69.032 68.868 0.073 0.000 1.188 420 T HN -0.089 nan 8.240 nan 0.000 0.500 421 S N 2.540 118.329 115.700 0.148 0.000 2.573 421 S HA 0.148 4.617 4.470 -0.001 0.000 0.297 421 S C 0.438 175.177 174.600 0.231 0.000 1.280 421 S CA 0.034 58.332 58.200 0.164 0.000 1.061 421 S CB 0.052 63.333 63.200 0.136 0.000 0.812 421 S HN 0.405 nan 8.310 nan 0.000 0.500 422 R N 1.103 121.755 120.500 0.252 0.000 3.205 422 R HA -0.127 4.212 4.340 -0.001 0.000 0.249 422 R C -1.854 174.698 176.300 0.419 0.000 0.937 422 R CA 0.710 57.032 56.100 0.370 0.000 0.641 422 R CB -1.744 28.800 30.300 0.406 0.000 1.114 422 R HN 0.524 nan 8.270 nan 0.000 0.451 423 P HA -0.241 nan 4.420 nan 0.000 0.222 423 P C 1.097 178.614 177.300 0.361 0.000 1.147 423 P CA 1.081 64.402 63.100 0.369 0.000 0.790 423 P CB -0.013 31.948 31.700 0.435 0.000 0.780 424 Y N 1.483 121.881 120.300 0.162 0.000 2.145 424 Y HA -0.244 4.306 4.550 -0.001 0.000 0.286 424 Y C 2.304 178.188 175.900 -0.026 0.000 1.145 424 Y CA 2.055 60.169 58.100 0.023 0.000 1.148 424 Y CB -0.943 37.398 38.460 -0.198 0.000 0.981 424 Y HN 0.061 nan 8.280 nan 0.000 0.507 425 H N -0.868 118.445 119.070 0.405 0.000 2.470 425 H HA 0.031 4.587 4.556 -0.001 0.000 0.289 425 H C 1.997 177.470 175.328 0.243 0.000 1.033 425 H CA 1.189 57.380 56.048 0.238 0.000 1.331 425 H CB -0.069 29.881 29.762 0.313 0.000 1.414 425 H HN 0.253 nan 8.280 nan 0.000 0.545 426 K N 0.334 120.949 120.400 0.359 0.000 2.097 426 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 426 K C 2.215 178.873 176.600 0.096 0.000 1.050 426 K CA 1.059 57.502 56.287 0.260 0.000 0.938 426 K CB 0.121 32.750 32.500 0.216 0.000 0.718 426 K HN 0.033 nan 8.250 nan 0.000 0.442 427 R N 1.416 121.939 120.500 0.039 0.000 2.073 427 R HA 0.021 4.361 4.340 -0.001 0.000 0.229 427 R C 2.028 178.074 176.300 -0.424 0.000 1.120 427 R CA 1.345 57.398 56.100 -0.079 0.000 0.967 427 R CB -0.440 29.912 30.300 0.087 0.000 0.862 427 R HN 0.134 nan 8.270 nan 0.000 0.436 428 M N 0.399 119.602 119.600 -0.661 0.000 2.149 428 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 428 M C 1.465 177.407 176.300 -0.596 0.000 1.064 428 M CA 2.468 57.112 55.300 -1.093 0.000 1.102 428 M CB -0.356 31.787 32.600 -0.761 0.000 1.369 428 M HN 0.299 nan 8.290 nan 0.000 0.408 429 D N -0.298 119.964 120.400 -0.229 0.000 2.116 429 D HA -0.227 4.412 4.640 -0.001 0.000 0.193 429 D C 1.884 178.107 176.300 -0.127 0.000 0.998 429 D CA 1.532 55.508 54.000 -0.041 0.000 0.836 429 D CB 0.100 41.017 40.800 0.195 0.000 0.951 429 D HN 0.240 nan 8.370 nan 0.000 0.449 430 R N 0.039 120.447 120.500 -0.154 0.000 2.092 430 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 430 R C 2.446 178.645 176.300 -0.169 0.000 1.119 430 R CA 0.450 56.467 56.100 -0.138 0.000 0.970 430 R CB -0.976 29.262 30.300 -0.104 0.000 0.864 430 R HN 0.265 nan 8.270 nan 0.000 0.440 431 V N 1.531 121.250 119.914 -0.326 0.000 2.261 431 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 431 V C 2.373 178.333 176.094 -0.224 0.000 1.047 431 V CA 1.486 63.592 62.300 -0.323 0.000 1.015 431 V CB -0.572 30.766 31.823 -0.807 0.000 0.642 431 V HN 0.131 nan 8.190 nan 0.000 0.446 432 L N -0.309 120.694 121.223 -0.366 0.000 2.083 432 L HA -0.168 4.171 4.340 -0.001 0.000 0.209 432 L C 2.335 179.145 176.870 -0.100 0.000 1.083 432 L CA 2.142 56.827 54.840 -0.258 0.000 0.752 432 L CB -0.732 41.166 42.059 -0.268 0.000 0.899 432 L HN 0.349 nan 8.230 nan 0.000 0.433 433 M N -1.303 118.234 119.600 -0.104 0.000 2.089 433 M HA -0.345 4.134 4.480 -0.001 0.000 0.257 433 M C 2.379 178.641 176.300 -0.064 0.000 1.071 433 M CA 2.487 57.727 55.300 -0.101 0.000 1.096 433 M CB -0.447 32.064 32.600 -0.148 0.000 1.330 433 M HN 0.561 nan 8.290 nan 0.000 0.403 434 H N -0.736 118.297 119.070 -0.062 0.000 2.357 434 H HA -0.150 4.405 4.556 -0.001 0.000 0.301 434 H C 1.458 176.820 175.328 0.056 0.000 1.082 434 H CA 2.322 58.359 56.048 -0.018 0.000 1.342 434 H CB -0.395 29.363 29.762 -0.006 0.000 1.389 434 H HN 0.494 nan 8.280 nan 0.000 0.511 435 Y N -0.470 119.661 120.300 -0.282 0.000 2.224 435 Y HA -0.150 4.400 4.550 -0.001 0.000 0.289 435 Y C 2.750 178.517 175.900 -0.222 0.000 1.146 435 Y CA 1.231 59.173 58.100 -0.263 0.000 1.182 435 Y CB -0.567 37.808 38.460 -0.143 0.000 0.983 435 Y HN 0.115 nan 8.280 nan 0.000 0.524 436 V N 0.201 120.102 119.914 -0.021 0.000 2.295 436 V HA -0.309 3.810 4.120 -0.001 0.000 0.246 436 V C 2.530 178.562 176.094 -0.103 0.000 1.049 436 V CA 2.208 64.468 62.300 -0.066 0.000 1.024 436 V CB -0.573 31.203 31.823 -0.079 0.000 0.648 436 V HN 0.325 nan 8.190 nan 0.000 0.447 437 R N 0.492 120.911 120.500 -0.134 0.000 2.083 437 R HA -0.180 4.159 4.340 -0.001 0.000 0.237 437 R C 2.239 178.477 176.300 -0.104 0.000 1.137 437 R CA 1.942 57.973 56.100 -0.115 0.000 0.951 437 R CB -0.536 29.701 30.300 -0.107 0.000 0.851 437 R HN 0.448 nan 8.270 nan 0.000 0.434 438 A N 0.728 123.428 122.820 -0.200 0.000 1.933 438 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 438 A C 2.397 179.929 177.584 -0.087 0.000 1.175 438 A CA 1.653 53.634 52.037 -0.092 0.000 0.628 438 A CB -0.778 18.095 19.000 -0.213 0.000 0.814 438 A HN 0.592 nan 8.150 nan 0.000 0.444 439 A N -0.216 122.542 122.820 -0.104 0.000 1.873 439 A HA -0.153 4.167 4.320 -0.001 0.000 0.215 439 A C 1.951 179.481 177.584 -0.091 0.000 1.186 439 A CA 1.550 53.536 52.037 -0.084 0.000 0.616 439 A CB -0.510 18.451 19.000 -0.064 0.000 0.823 439 A HN 0.613 nan 8.150 nan 0.000 0.442 440 E N -0.989 119.156 120.200 -0.092 0.000 2.072 440 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 440 E C 2.066 178.596 176.600 -0.115 0.000 0.985 440 E CA 1.333 57.670 56.400 -0.104 0.000 0.801 440 E CB -0.251 29.391 29.700 -0.097 0.000 0.750 440 E HN 0.745 nan 8.360 nan 0.000 0.452 441 M N 0.745 120.298 119.600 -0.078 0.000 2.077 441 M HA -0.149 4.331 4.480 -0.001 0.000 0.261 441 M C 2.176 178.460 176.300 -0.027 0.000 1.070 441 M CA 1.353 56.608 55.300 -0.076 0.000 1.125 441 M CB 0.022 32.673 32.600 0.085 0.000 1.339 441 M HN 0.072 nan 8.290 nan 0.000 0.409 442 L N 0.106 121.362 121.223 0.056 0.000 2.079 442 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 442 L C 2.573 179.583 176.870 0.234 0.000 1.081 442 L CA 1.720 56.650 54.840 0.151 0.000 0.752 442 L CB -0.542 41.457 42.059 -0.100 0.000 0.896 442 L HN 0.520 nan 8.230 nan 0.000 0.433 443 S N -1.151 114.604 115.700 0.092 0.000 2.528 443 S HA 0.098 4.568 4.470 -0.001 0.000 0.219 443 S C 1.949 176.701 174.600 0.254 0.000 0.985 443 S CA 0.342 58.656 58.200 0.190 0.000 0.914 443 S CB 0.089 63.198 63.200 -0.152 0.000 0.776 443 S HN 0.291 nan 8.310 nan 0.000 0.526 444 A N 1.012 123.818 122.820 -0.024 0.000 2.015 444 A HA 0.093 4.412 4.320 -0.001 0.000 0.219 444 A C 1.698 179.176 177.584 -0.177 0.000 1.163 444 A CA 0.764 52.691 52.037 -0.183 0.000 0.646 444 A CB -1.175 17.564 19.000 -0.437 0.000 0.806 444 A HN 0.751 nan 8.150 nan 0.000 0.448 445 W N -0.632 120.683 121.300 0.026 0.000 2.364 445 W HA -0.043 4.616 4.660 -0.001 0.000 0.281 445 W C 1.014 177.354 176.519 -0.298 0.000 1.219 445 W CA 1.097 58.365 57.345 -0.128 0.000 1.220 445 W CB -0.198 29.143 29.460 -0.198 0.000 1.127 445 W HN 0.396 nan 8.180 nan 0.000 0.556 446 H N -2.346 116.798 119.070 0.123 0.000 2.771 446 H HA 0.380 4.935 4.556 -0.001 0.000 0.367 446 H C -0.486 174.762 175.328 -0.133 0.000 1.172 446 H CA -0.924 55.036 56.048 -0.146 0.000 1.186 446 H CB 1.784 31.211 29.762 -0.559 0.000 1.790 446 H HN -0.441 nan 8.280 nan 0.000 0.556 447 S N 0.908 116.573 115.700 -0.058 0.000 2.480 447 S HA 0.315 4.784 4.470 -0.001 0.000 0.286 447 S C -1.421 173.094 174.600 -0.142 0.000 1.180 447 S CA -0.695 57.502 58.200 -0.005 0.000 1.075 447 S CB 0.159 63.354 63.200 -0.008 0.000 0.996 447 S HN 0.387 nan 8.310 nan 0.000 0.487 448 W N 2.387 123.685 121.300 -0.003 0.000 2.606 448 W HA 0.377 5.036 4.660 -0.001 0.000 0.332 448 W C 0.029 176.505 176.519 -0.071 0.000 1.052 448 W CA -0.888 56.430 57.345 -0.045 0.000 1.223 448 W CB 0.552 29.949 29.460 -0.104 0.000 1.383 448 W HN 0.638 nan 8.180 nan 0.000 0.524 449 D N 0.628 121.107 120.400 0.132 0.000 2.443 449 D HA 0.179 4.819 4.640 -0.001 0.000 0.239 449 D C 1.649 177.952 176.300 0.006 0.000 1.136 449 D CA 0.925 54.968 54.000 0.070 0.000 0.879 449 D CB 1.248 42.119 40.800 0.119 0.000 1.195 449 D HN 0.551 nan 8.370 nan 0.000 0.443 450 G N 2.731 111.543 108.800 0.020 0.000 2.485 450 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.221 450 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.221 450 G C 1.343 176.221 174.900 -0.037 0.000 1.115 450 G CA 0.557 45.655 45.100 -0.004 0.000 0.751 450 G HN 0.582 nan 8.290 nan 0.000 0.567 451 M N 0.697 120.288 119.600 -0.015 0.000 2.446 451 M HA 0.053 4.533 4.480 -0.001 0.000 0.263 451 M C 2.783 178.999 176.300 -0.141 0.000 1.066 451 M CA 0.988 56.307 55.300 0.032 0.000 1.087 451 M CB 0.007 32.744 32.600 0.229 0.000 1.406 451 M HN 0.303 nan 8.290 nan 0.000 0.459 452 A N 0.146 122.616 122.820 -0.583 0.000 2.167 452 A HA -0.025 4.295 4.320 -0.001 0.000 0.214 452 A C 1.106 178.485 177.584 -0.343 0.000 1.151 452 A CA 0.361 51.841 52.037 -0.929 0.000 0.735 452 A CB -0.376 17.969 19.000 -1.092 0.000 0.802 452 A HN 0.560 nan 8.150 nan 0.000 0.467 453 R N -1.535 118.843 120.500 -0.204 0.000 3.516 453 R HA -0.184 4.156 4.340 -0.001 0.000 0.271 453 R C 0.610 176.806 176.300 -0.172 0.000 1.098 453 R CA 0.692 56.716 56.100 -0.127 0.000 0.732 453 R CB -2.030 28.231 30.300 -0.066 0.000 1.152 453 R HN 0.471 nan 8.270 nan 0.000 0.455 454 I N 0.419 120.839 120.570 -0.251 0.000 2.193 454 I HA -0.171 3.998 4.170 -0.001 0.000 0.240 454 I C 2.156 178.152 176.117 -0.202 0.000 1.084 454 I CA 1.585 62.688 61.300 -0.328 0.000 1.365 454 I CB -0.688 36.975 38.000 -0.561 0.000 1.064 454 I HN 0.198 nan 8.210 nan 0.000 0.410 455 E N 0.788 120.906 120.200 -0.137 0.000 2.085 455 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 455 E C 2.101 178.656 176.600 -0.076 0.000 0.994 455 E CA 1.319 57.666 56.400 -0.088 0.000 0.801 455 E CB -0.250 29.422 29.700 -0.047 0.000 0.743 455 E HN 0.462 nan 8.360 nan 0.000 0.453 456 E N 0.328 120.486 120.200 -0.070 0.000 2.038 456 E HA -0.259 4.090 4.350 -0.001 0.000 0.195 456 E C 1.968 178.530 176.600 -0.063 0.000 1.000 456 E CA 1.112 57.480 56.400 -0.053 0.000 0.803 456 E CB 0.092 29.767 29.700 -0.042 0.000 0.750 456 E HN -0.029 nan 8.360 nan 0.000 0.448 457 R N 0.309 120.760 120.500 -0.081 0.000 2.092 457 R HA -0.011 4.328 4.340 -0.001 0.000 0.231 457 R C 2.394 178.645 176.300 -0.083 0.000 1.119 457 R CA 0.887 56.941 56.100 -0.076 0.000 0.970 457 R CB -0.526 29.723 30.300 -0.085 0.000 0.864 457 R HN 0.278 nan 8.270 nan 0.000 0.440 458 L N -0.098 121.064 121.223 -0.101 0.000 2.056 458 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 458 L C 2.380 179.191 176.870 -0.099 0.000 1.078 458 L CA 1.542 56.322 54.840 -0.101 0.000 0.749 458 L CB -0.451 41.541 42.059 -0.112 0.000 0.901 458 L HN 0.303 nan 8.230 nan 0.000 0.433 459 E N 0.191 120.337 120.200 -0.091 0.000 2.051 459 E HA -0.315 4.034 4.350 -0.001 0.000 0.192 459 E C 2.219 178.747 176.600 -0.119 0.000 0.991 459 E CA 1.492 57.830 56.400 -0.102 0.000 0.799 459 E CB -0.037 29.624 29.700 -0.065 0.000 0.748 459 E HN 0.431 nan 8.360 nan 0.000 0.449 460 Q N 0.023 119.772 119.800 -0.085 0.000 2.050 460 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 460 Q C 2.089 178.037 176.000 -0.087 0.000 0.980 460 Q CA 1.646 57.404 55.803 -0.074 0.000 0.840 460 Q CB -0.245 28.465 28.738 -0.048 0.000 0.898 460 Q HN 0.348 nan 8.270 nan 0.000 0.424 461 A N 1.164 123.934 122.820 -0.085 0.000 1.877 461 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 461 A C 2.112 179.631 177.584 -0.108 0.000 1.186 461 A CA 1.492 53.480 52.037 -0.083 0.000 0.620 461 A CB -0.531 18.427 19.000 -0.071 0.000 0.822 461 A HN 0.393 nan 8.150 nan 0.000 0.443 462 R N -0.758 119.659 120.500 -0.137 0.000 2.091 462 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 462 R C 2.460 178.607 176.300 -0.254 0.000 1.136 462 R CA 1.666 57.660 56.100 -0.177 0.000 0.959 462 R CB -0.312 29.872 30.300 -0.193 0.000 0.856 462 R HN 0.498 nan 8.270 nan 0.000 0.437 463 R N 0.359 120.666 120.500 -0.322 0.000 2.092 463 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 463 R C 2.113 178.339 176.300 -0.123 0.000 1.119 463 R CA 1.054 56.892 56.100 -0.436 0.000 0.970 463 R CB -0.024 30.043 30.300 -0.389 0.000 0.864 463 R HN 0.238 nan 8.270 nan 0.000 0.440 464 E N 0.690 120.853 120.200 -0.061 0.000 2.107 464 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 464 E C 1.990 178.614 176.600 0.040 0.000 0.982 464 E CA 0.705 57.114 56.400 0.015 0.000 0.809 464 E CB -0.180 29.517 29.700 -0.004 0.000 0.756 464 E HN 0.160 nan 8.360 nan 0.000 0.459 465 L N 1.250 122.466 121.223 -0.012 0.000 2.056 465 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 465 L C 2.178 179.084 176.870 0.060 0.000 1.078 465 L CA 1.563 56.415 54.840 0.021 0.000 0.749 465 L CB -0.575 41.462 42.059 -0.037 0.000 0.901 465 L HN -0.109 nan 8.230 nan 0.000 0.433 466 S N -0.318 115.381 115.700 -0.001 0.000 2.370 466 S HA -0.191 4.278 4.470 -0.001 0.000 0.226 466 S C 1.851 176.573 174.600 0.204 0.000 1.033 466 S CA 1.634 59.862 58.200 0.047 0.000 1.011 466 S CB -0.621 62.505 63.200 -0.122 0.000 0.852 466 S HN 0.486 nan 8.310 nan 0.000 0.457 467 L N 0.701 122.088 121.223 0.272 0.000 2.042 467 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 467 L C 1.856 178.817 176.870 0.152 0.000 1.076 467 L CA 1.662 56.663 54.840 0.267 0.000 0.749 467 L CB -0.623 41.565 42.059 0.215 0.000 0.893 467 L HN 0.292 nan 8.230 nan 0.000 0.432 468 F N -0.247 119.660 119.950 -0.071 0.000 2.546 468 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 468 F C 2.115 177.822 175.800 -0.155 0.000 1.120 468 F CA 0.801 58.647 58.000 -0.257 0.000 1.456 468 F CB -0.244 38.642 39.000 -0.190 0.000 1.088 468 F HN 0.263 nan 8.300 nan 0.000 0.572 469 Q N -0.462 119.276 119.800 -0.102 0.000 2.488 469 Q HA -0.121 4.218 4.340 -0.001 0.000 0.211 469 Q C 0.500 176.427 176.000 -0.121 0.000 0.967 469 Q CA 0.377 56.104 55.803 -0.127 0.000 0.926 469 Q CB -1.221 27.519 28.738 0.002 0.000 0.992 469 Q HN 0.493 nan 8.270 nan 0.000 0.506 470 H N 1.920 120.861 119.070 -0.215 0.000 3.016 470 H HA -0.105 4.450 4.556 -0.001 0.000 0.345 470 H C 1.215 176.368 175.328 -0.291 0.000 1.066 470 H CA 0.641 56.559 56.048 -0.216 0.000 1.390 470 H CB 0.572 30.226 29.762 -0.179 0.000 1.344 470 H HN 0.223 nan 8.280 nan 0.000 0.605 471 H N 1.974 120.623 119.070 -0.702 0.000 2.562 471 H HA 0.019 4.575 4.556 -0.001 0.000 0.272 471 H C -0.319 174.571 175.328 -0.731 0.000 1.019 471 H CA 0.568 56.169 56.048 -0.744 0.000 1.160 471 H CB 0.269 29.567 29.762 -0.773 0.000 1.334 471 H HN 0.591 nan 8.280 nan 0.000 0.611 472 D N 0.200 119.930 120.400 -1.117 0.000 2.503 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.218 472 D C 1.650 177.929 176.300 -0.035 0.000 1.183 472 D CA 0.283 54.129 54.000 -0.257 0.000 0.827 472 D CB 0.877 41.733 40.800 0.094 0.000 1.034 472 D HN 0.516 nan 8.370 nan 0.000 0.510 473 G N 1.220 109.791 108.800 -0.381 0.000 2.549 473 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.219 473 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.219 473 G C 1.342 175.695 174.900 -0.912 0.000 1.677 473 G CA -0.192 44.480 45.100 -0.713 0.000 0.929 473 G HN 0.205 nan 8.290 nan 0.000 0.549 474 I N 2.080 121.765 120.570 -1.475 0.000 2.530 474 I HA -0.179 3.990 4.170 -0.001 0.000 0.257 474 I C 2.830 178.843 176.117 -0.174 0.000 1.179 474 I CA 2.012 62.722 61.300 -0.984 0.000 1.440 474 I CB -0.075 37.518 38.000 -0.678 0.000 1.087 474 I HN 0.383 nan 8.210 nan 0.000 0.440 475 T N -1.725 112.782 114.554 -0.079 0.000 3.007 475 T HA 0.026 4.375 4.350 -0.001 0.000 0.270 475 T C 1.542 176.396 174.700 0.256 0.000 1.107 475 T CA 0.625 62.877 62.100 0.253 0.000 1.118 475 T CB -0.506 68.513 68.868 0.252 0.000 0.889 475 T HN 0.618 nan 8.240 nan 0.000 0.506 476 G N 1.544 110.450 108.800 0.176 0.000 2.221 476 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.265 476 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.265 476 G C 0.574 175.554 174.900 0.133 0.000 1.041 476 G CA 0.663 45.887 45.100 0.208 0.000 0.807 476 G HN 1.105 nan 8.290 nan 0.000 0.502 477 T N -3.350 111.276 114.554 0.121 0.000 3.176 477 T HA 0.727 5.076 4.350 -0.001 0.000 0.263 477 T C 0.938 175.826 174.700 0.314 0.000 1.021 477 T CA 1.033 63.132 62.100 -0.003 0.000 0.905 477 T CB 0.943 69.661 68.868 -0.250 0.000 1.057 477 T HN 1.548 nan 8.240 nan 0.000 0.558 478 A N 1.296 124.326 122.820 0.350 0.000 2.256 478 A HA 0.672 4.992 4.320 -0.001 0.000 0.318 478 A C 0.223 177.910 177.584 0.171 0.000 1.103 478 A CA -0.941 51.337 52.037 0.402 0.000 0.860 478 A CB 0.835 20.107 19.000 0.454 0.000 1.182 478 A HN 0.389 nan 8.150 nan 0.000 0.501 479 K N -0.173 120.259 120.400 0.054 0.000 2.276 479 K HA 0.144 4.463 4.320 -0.001 0.000 0.259 479 K C 1.112 177.722 176.600 0.017 0.000 1.001 479 K CA 0.361 56.659 56.287 0.018 0.000 0.927 479 K CB 0.342 32.846 32.500 0.006 0.000 0.969 479 K HN 0.743 nan 8.250 nan 0.000 0.490 480 T N 1.366 115.956 114.554 0.060 0.000 2.653 480 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 480 T C 1.690 176.418 174.700 0.047 0.000 1.035 480 T CA 1.913 64.049 62.100 0.061 0.000 1.154 480 T CB -0.448 68.465 68.868 0.075 0.000 0.862 480 T HN 0.699 nan 8.240 nan 0.000 0.441 481 H N 0.641 119.700 119.070 -0.018 0.000 2.491 481 H HA 0.084 4.639 4.556 -0.001 0.000 0.290 481 H C 2.025 177.318 175.328 -0.057 0.000 1.050 481 H CA 0.912 56.941 56.048 -0.032 0.000 1.309 481 H CB -0.795 28.944 29.762 -0.037 0.000 1.392 481 H HN 0.282 nan 8.280 nan 0.000 0.554 482 V N 1.076 120.625 119.914 -0.609 0.000 2.407 482 V HA -0.157 3.963 4.120 -0.001 0.000 0.245 482 V C 3.017 178.904 176.094 -0.345 0.000 1.041 482 V CA 1.058 63.026 62.300 -0.554 0.000 1.040 482 V CB -0.392 31.171 31.823 -0.433 0.000 0.671 482 V HN 0.235 nan 8.190 nan 0.000 0.455 483 V N -0.027 119.822 119.914 -0.108 0.000 2.332 483 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 483 V C 2.453 178.510 176.094 -0.062 0.000 1.055 483 V CA 1.909 64.206 62.300 -0.006 0.000 1.038 483 V CB -0.440 31.345 31.823 -0.063 0.000 0.651 483 V HN 0.413 nan 8.190 nan 0.000 0.450 484 V N 0.364 120.251 119.914 -0.046 0.000 2.343 484 V HA -0.296 3.824 4.120 -0.001 0.000 0.247 484 V C 2.323 178.418 176.094 0.003 0.000 1.051 484 V CA 2.412 64.719 62.300 0.012 0.000 1.036 484 V CB -0.681 31.161 31.823 0.031 0.000 0.654 484 V HN 0.641 nan 8.190 nan 0.000 0.451 485 D N -0.849 119.504 120.400 -0.078 0.000 2.104 485 D HA -0.217 4.423 4.640 -0.001 0.000 0.194 485 D C 2.006 178.297 176.300 -0.015 0.000 0.994 485 D CA 1.754 55.704 54.000 -0.082 0.000 0.830 485 D CB -0.280 40.405 40.800 -0.191 0.000 0.959 485 D HN 0.596 nan 8.370 nan 0.000 0.452 486 Y N 0.420 120.741 120.300 0.034 0.000 2.224 486 Y HA -0.139 4.411 4.550 -0.001 0.000 0.289 486 Y C 2.592 178.438 175.900 -0.089 0.000 1.146 486 Y CA 1.146 59.254 58.100 0.013 0.000 1.182 486 Y CB -0.118 38.395 38.460 0.089 0.000 0.983 486 Y HN 0.098 nan 8.280 nan 0.000 0.524 487 E N 0.479 120.758 120.200 0.132 0.000 2.077 487 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 487 E C 1.980 178.641 176.600 0.102 0.000 0.989 487 E CA 1.321 57.817 56.400 0.160 0.000 0.800 487 E CB -0.034 29.852 29.700 0.309 0.000 0.746 487 E HN 0.579 nan 8.360 nan 0.000 0.452 488 Q N -0.041 119.809 119.800 0.084 0.000 2.084 488 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 488 Q C 2.333 178.358 176.000 0.043 0.000 0.978 488 Q CA 1.277 57.116 55.803 0.059 0.000 0.844 488 Q CB -0.117 28.649 28.738 0.047 0.000 0.898 488 Q HN 0.194 nan 8.270 nan 0.000 0.426 489 R N 0.235 120.763 120.500 0.048 0.000 2.073 489 R HA -0.068 4.272 4.340 -0.001 0.000 0.234 489 R C 2.317 178.620 176.300 0.004 0.000 1.134 489 R CA 1.508 57.630 56.100 0.038 0.000 0.952 489 R CB -0.207 30.141 30.300 0.080 0.000 0.850 489 R HN 0.290 nan 8.270 nan 0.000 0.433 490 M N 0.083 119.670 119.600 -0.021 0.000 2.159 490 M HA -0.193 4.286 4.480 -0.001 0.000 0.263 490 M C 2.337 178.596 176.300 -0.069 0.000 1.063 490 M CA 1.439 56.687 55.300 -0.086 0.000 1.110 490 M CB -0.166 32.322 32.600 -0.187 0.000 1.374 490 M HN 0.064 nan 8.290 nan 0.000 0.411 491 Q N 1.095 120.888 119.800 -0.011 0.000 2.084 491 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 491 Q C 1.535 177.530 176.000 -0.009 0.000 0.978 491 Q CA 1.866 57.675 55.803 0.010 0.000 0.844 491 Q CB -0.102 28.668 28.738 0.053 0.000 0.898 491 Q HN 0.528 nan 8.270 nan 0.000 0.426 492 E N -0.509 119.688 120.200 -0.005 0.000 2.110 492 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 492 E C 1.877 178.463 176.600 -0.023 0.000 0.988 492 E CA 0.842 57.238 56.400 -0.007 0.000 0.804 492 E CB -0.229 29.471 29.700 -0.001 0.000 0.745 492 E HN 0.467 nan 8.360 nan 0.000 0.458 493 A N 1.422 124.218 122.820 -0.040 0.000 1.902 493 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 493 A C 2.217 179.764 177.584 -0.062 0.000 1.181 493 A CA 1.010 53.014 52.037 -0.055 0.000 0.623 493 A CB -0.640 18.316 19.000 -0.073 0.000 0.818 493 A HN 0.122 nan 8.150 nan 0.000 0.443 494 L N -0.591 120.571 121.223 -0.101 0.000 2.012 494 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 494 L C 2.609 179.471 176.870 -0.014 0.000 1.073 494 L CA 1.870 56.626 54.840 -0.140 0.000 0.748 494 L CB -0.467 41.445 42.059 -0.245 0.000 0.891 494 L HN 0.369 nan 8.230 nan 0.000 0.431 495 K N -0.088 120.309 120.400 -0.006 0.000 2.097 495 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 495 K C 2.214 178.827 176.600 0.021 0.000 1.049 495 K CA 1.356 57.655 56.287 0.020 0.000 0.933 495 K CB -0.268 32.237 32.500 0.008 0.000 0.717 495 K HN 0.307 nan 8.250 nan 0.000 0.442 496 A N 1.158 123.979 122.820 0.002 0.000 1.898 496 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 496 A C 2.450 180.035 177.584 0.002 0.000 1.181 496 A CA 1.418 53.450 52.037 -0.010 0.000 0.620 496 A CB -0.967 18.015 19.000 -0.029 0.000 0.819 496 A HN 0.397 nan 8.150 nan 0.000 0.442 497 C N -0.970 118.349 119.300 0.031 0.000 2.413 497 C HA -0.148 4.312 4.460 -0.001 0.000 0.276 497 C C 2.876 177.921 174.990 0.091 0.000 1.236 497 C CA 1.336 60.392 59.018 0.063 0.000 1.735 497 C CB -1.312 26.523 27.740 0.158 0.000 2.031 497 C HN 0.793 nan 8.230 nan 0.000 0.474 498 Q N 0.219 120.106 119.800 0.144 0.000 2.061 498 Q HA -0.295 4.044 4.340 -0.001 0.000 0.204 498 Q C 2.168 178.240 176.000 0.120 0.000 0.984 498 Q CA 2.228 58.119 55.803 0.148 0.000 0.846 498 Q CB -0.296 28.530 28.738 0.148 0.000 0.902 498 Q HN 0.597 nan 8.270 nan 0.000 0.421 499 M N -0.106 119.535 119.600 0.069 0.000 2.080 499 M HA -0.150 4.329 4.480 -0.001 0.000 0.260 499 M C 1.875 178.194 176.300 0.031 0.000 1.068 499 M CA 1.641 56.971 55.300 0.051 0.000 1.109 499 M CB -0.545 32.064 32.600 0.015 0.000 1.342 499 M HN 0.145 nan 8.290 nan 0.000 0.405 500 V N 0.253 120.149 119.914 -0.030 0.000 2.295 500 V HA -0.311 3.808 4.120 -0.001 0.000 0.246 500 V C 2.443 178.495 176.094 -0.070 0.000 1.049 500 V CA 2.274 64.499 62.300 -0.125 0.000 1.024 500 V CB -0.701 31.023 31.823 -0.165 0.000 0.648 500 V HN 0.572 nan 8.190 nan 0.000 0.447 501 M N 0.189 119.802 119.600 0.023 0.000 2.065 501 M HA -0.272 4.207 4.480 -0.001 0.000 0.259 501 M C 2.407 178.750 176.300 0.072 0.000 1.069 501 M CA 2.491 57.838 55.300 0.079 0.000 1.110 501 M CB -0.537 32.204 32.600 0.236 0.000 1.328 501 M HN 0.545 nan 8.290 nan 0.000 0.405 502 Q N -0.063 119.867 119.800 0.216 0.000 2.124 502 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 502 Q C 1.826 177.993 176.000 0.279 0.000 0.977 502 Q CA 1.328 57.270 55.803 0.233 0.000 0.850 502 Q CB -0.673 28.315 28.738 0.415 0.000 0.901 502 Q HN 0.432 nan 8.270 nan 0.000 0.429 503 Q N 0.478 120.438 119.800 0.267 0.000 2.124 503 Q HA -0.053 4.286 4.340 -0.001 0.000 0.202 503 Q C 2.297 178.532 176.000 0.392 0.000 0.977 503 Q CA 1.659 57.698 55.803 0.393 0.000 0.850 503 Q CB -0.188 28.696 28.738 0.243 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.429 504 S N 0.361 116.170 115.700 0.182 0.000 2.368 504 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 504 S C 2.219 176.853 174.600 0.057 0.000 1.029 504 S CA 1.038 59.390 58.200 0.254 0.000 0.988 504 S CB -0.223 63.056 63.200 0.130 0.000 0.838 504 S HN 0.129 nan 8.310 nan 0.000 0.462 505 V N 0.859 120.675 119.914 -0.164 0.000 2.287 505 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 505 V C 2.013 178.062 176.094 -0.074 0.000 1.053 505 V CA 1.916 63.992 62.300 -0.373 0.000 1.027 505 V CB -0.789 30.398 31.823 -1.059 0.000 0.646 505 V HN 0.530 nan 8.190 nan 0.000 0.447 506 Y N 1.200 121.523 120.300 0.038 0.000 2.165 506 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 506 Y C 2.758 178.721 175.900 0.105 0.000 1.155 506 Y CA 2.268 60.499 58.100 0.218 0.000 1.164 506 Y CB -0.349 38.172 38.460 0.102 0.000 0.978 506 Y HN 0.093 nan 8.280 nan 0.000 0.513 507 R N -0.248 120.140 120.500 -0.188 0.000 2.090 507 R HA -0.089 4.251 4.340 -0.001 0.000 0.228 507 R C 2.166 178.141 176.300 -0.542 0.000 1.110 507 R CA 1.404 57.014 56.100 -0.817 0.000 0.973 507 R CB -0.337 29.444 30.300 -0.865 0.000 0.869 507 R HN 0.438 nan 8.270 nan 0.000 0.440 508 L N 0.285 121.336 121.223 -0.286 0.000 2.217 508 L HA -0.073 4.267 4.340 -0.001 0.000 0.211 508 L C 1.406 178.143 176.870 -0.221 0.000 1.107 508 L CA 0.832 55.469 54.840 -0.339 0.000 0.783 508 L CB 0.103 41.824 42.059 -0.565 0.000 0.919 508 L HN 0.229 nan 8.230 nan 0.000 0.442 509 L N -1.189 120.003 121.223 -0.053 0.000 3.066 509 L HA 0.223 4.562 4.340 -0.001 0.000 0.265 509 L C -0.239 176.663 176.870 0.053 0.000 1.232 509 L CA -0.107 54.780 54.840 0.079 0.000 1.031 509 L CB 0.398 42.666 42.059 0.348 0.000 1.379 509 L HN -0.002 nan 8.230 nan 0.000 0.563 510 T N 0.100 114.611 114.554 -0.072 0.000 2.824 510 T HA 0.181 4.531 4.350 -0.001 0.000 0.282 510 T C -0.149 174.465 174.700 -0.143 0.000 0.993 510 T CA -0.571 61.471 62.100 -0.097 0.000 0.967 510 T CB 2.411 71.160 68.868 -0.199 0.000 0.960 510 T HN 0.030 nan 8.240 nan 0.000 0.441 511 K N 4.033 124.365 120.400 -0.113 0.000 2.491 511 K HA -0.011 4.308 4.320 -0.001 0.000 0.279 511 K C -1.723 174.843 176.600 -0.056 0.000 1.026 511 K CA -1.039 55.197 56.287 -0.086 0.000 1.070 511 K CB 0.431 32.887 32.500 -0.073 0.000 0.887 511 K HN 0.167 nan 8.250 nan 0.000 0.481 512 P HA -0.241 nan 4.420 nan 0.000 0.216 512 P C 0.840 178.154 177.300 0.022 0.000 1.157 512 P CA 1.726 64.804 63.100 -0.036 0.000 0.880 512 P CB 0.111 31.783 31.700 -0.048 0.000 0.791 513 S N -2.282 113.421 115.700 0.005 0.000 2.603 513 S HA 0.026 4.496 4.470 -0.001 0.000 0.229 513 S C 1.664 176.274 174.600 0.017 0.000 0.972 513 S CA 0.597 58.803 58.200 0.010 0.000 0.935 513 S CB -1.134 62.065 63.200 -0.003 0.000 0.769 513 S HN 0.111 nan 8.310 nan 0.000 0.536 514 I N -0.920 119.667 120.570 0.029 0.000 3.790 514 I HA 0.220 4.390 4.170 -0.001 0.000 0.305 514 I C 0.486 176.648 176.117 0.075 0.000 1.253 514 I CA -0.440 60.884 61.300 0.039 0.000 1.355 514 I CB 0.008 38.026 38.000 0.029 0.000 1.137 514 I HN 0.254 nan 8.210 nan 0.000 0.435 515 Y N 2.840 123.092 120.300 -0.081 0.000 2.804 515 Y HA -0.050 4.500 4.550 -0.001 0.000 0.338 515 Y C 0.424 176.306 175.900 -0.030 0.000 1.252 515 Y CA 0.090 58.113 58.100 -0.128 0.000 1.576 515 Y CB 0.372 38.693 38.460 -0.231 0.000 1.223 515 Y HN -0.119 nan 8.280 nan 0.000 0.536 516 S N 8.987 124.490 115.700 -0.328 0.000 2.279 516 S HA 0.358 4.827 4.470 -0.001 0.000 0.176 516 S C -2.818 171.585 174.600 -0.327 0.000 1.554 516 S CA -1.241 56.769 58.200 -0.316 0.000 1.242 516 S CB -0.023 63.113 63.200 -0.107 0.000 1.163 516 S HN 0.666 nan 8.310 nan 0.000 0.449 517 P HA 0.315 nan 4.420 nan 0.000 0.275 517 P C -1.188 175.874 177.300 -0.398 0.000 1.227 517 P CA -0.164 62.703 63.100 -0.389 0.000 0.781 517 P CB 0.896 32.309 31.700 -0.478 0.000 0.906 518 D N 2.575 122.929 120.400 -0.076 0.000 2.460 518 D HA 0.147 4.787 4.640 -0.001 0.000 0.232 518 D C 0.406 176.747 176.300 0.068 0.000 1.079 518 D CA -0.744 53.188 54.000 -0.113 0.000 0.864 518 D CB 0.148 40.910 40.800 -0.062 0.000 1.048 518 D HN 0.023 nan 8.370 nan 0.000 0.523 519 F N 1.700 121.769 119.950 0.199 0.000 2.449 519 F HA -0.092 4.434 4.527 -0.001 0.000 0.299 519 F C 2.425 178.306 175.800 0.135 0.000 1.092 519 F CA 0.830 58.946 58.000 0.195 0.000 1.446 519 F CB -0.555 38.539 39.000 0.157 0.000 1.084 519 F HN 0.384 nan 8.300 nan 0.000 0.567 520 S N -2.014 113.832 115.700 0.243 0.000 2.524 520 S HA 0.119 4.589 4.470 -0.001 0.000 0.215 520 S C 0.370 175.015 174.600 0.075 0.000 0.986 520 S CA -0.440 57.844 58.200 0.140 0.000 0.911 520 S CB -0.633 62.629 63.200 0.104 0.000 0.805 520 S HN 0.068 nan 8.310 nan 0.000 0.501 521 F N 3.056 122.946 119.950 -0.100 0.000 2.389 521 F HA 0.569 5.095 4.527 -0.001 0.000 0.337 521 F C 0.082 175.659 175.800 -0.372 0.000 1.112 521 F CA -0.610 57.200 58.000 -0.316 0.000 1.192 521 F CB 1.399 40.059 39.000 -0.567 0.000 1.185 521 F HN -0.039 nan 8.300 nan 0.000 0.552 522 S N 5.987 120.869 115.700 -1.363 0.000 2.464 522 S HA 0.166 4.635 4.470 -0.001 0.000 0.313 522 S C 0.380 174.355 174.600 -1.041 0.000 1.078 522 S CA -0.337 57.351 58.200 -0.853 0.000 1.096 522 S CB -0.136 62.709 63.200 -0.592 0.000 1.032 522 S HN 0.663 nan 8.310 nan 0.000 0.498 523 Y N 1.696 121.764 120.300 -0.387 0.000 2.314 523 Y HA 0.152 4.702 4.550 -0.001 0.000 0.293 523 Y C 0.338 175.711 175.900 -0.878 0.000 1.129 523 Y CA 0.789 58.551 58.100 -0.563 0.000 1.201 523 Y CB 0.188 38.389 38.460 -0.431 0.000 0.999 523 Y HN 0.493 nan 8.280 nan 0.000 0.541 524 F N -1.907 117.987 119.950 -0.094 0.000 2.613 524 F HA 0.473 4.999 4.527 -0.001 0.000 0.314 524 F C -0.178 175.646 175.800 0.040 0.000 1.075 524 F CA -1.313 56.696 58.000 0.013 0.000 0.945 524 F CB 1.699 40.846 39.000 0.246 0.000 1.310 524 F HN -0.530 nan 8.300 nan 0.000 0.467 525 T N 2.828 117.547 114.554 0.274 0.000 2.807 525 T HA 0.533 4.883 4.350 -0.001 0.000 0.279 525 T C -0.364 174.448 174.700 0.188 0.000 0.993 525 T CA -0.558 61.638 62.100 0.160 0.000 0.970 525 T CB 1.047 69.960 68.868 0.075 0.000 0.950 525 T HN 0.327 nan 8.240 nan 0.000 0.441 526 L N 2.753 124.022 121.223 0.076 0.000 2.397 526 L HA 0.379 4.718 4.340 -0.001 0.000 0.271 526 L C 0.152 177.011 176.870 -0.018 0.000 1.148 526 L CA -0.202 54.580 54.840 -0.098 0.000 0.825 526 L CB 0.689 42.669 42.059 -0.132 0.000 1.117 526 L HN 0.648 nan 8.230 nan 0.000 0.456 527 D N 1.638 122.006 120.400 -0.054 0.000 2.492 527 D HA 0.217 4.857 4.640 -0.001 0.000 0.248 527 D C -1.284 174.942 176.300 -0.123 0.000 1.101 527 D CA -0.389 53.580 54.000 -0.052 0.000 0.840 527 D CB 1.176 41.975 40.800 -0.002 0.000 1.209 527 D HN 0.276 nan 8.370 nan 0.000 0.524 528 D N 2.507 122.859 120.400 -0.081 0.000 2.505 528 D HA 0.187 4.827 4.640 -0.001 0.000 0.250 528 D C -0.023 176.225 176.300 -0.087 0.000 1.164 528 D CA -0.440 53.538 54.000 -0.037 0.000 0.870 528 D CB 1.826 42.709 40.800 0.138 0.000 1.160 528 D HN 0.249 nan 8.370 nan 0.000 0.549 529 S N 2.537 118.156 115.700 -0.134 0.000 2.527 529 S HA 0.045 4.514 4.470 -0.001 0.000 0.222 529 S C 1.383 175.947 174.600 -0.061 0.000 0.985 529 S CA 0.396 58.511 58.200 -0.142 0.000 0.921 529 S CB 0.379 63.483 63.200 -0.160 0.000 0.772 529 S HN 0.477 nan 8.310 nan 0.000 0.529 530 R N -0.452 120.044 120.500 -0.007 0.000 2.508 530 R HA 0.222 4.561 4.340 -0.001 0.000 0.300 530 R C -0.593 175.782 176.300 0.124 0.000 0.970 530 R CA -0.090 56.031 56.100 0.036 0.000 1.102 530 R CB 0.740 31.061 30.300 0.034 0.000 1.246 530 R HN 0.328 nan 8.270 nan 0.000 0.539 531 W N 1.172 122.428 121.300 -0.073 0.000 3.405 531 W HA 0.282 4.941 4.660 -0.001 0.000 0.329 531 W C -2.930 173.544 176.519 -0.075 0.000 1.142 531 W CA -1.984 55.304 57.345 -0.096 0.000 1.235 531 W CB 1.781 31.169 29.460 -0.120 0.000 1.341 531 W HN -0.188 nan 8.180 nan 0.000 0.481 532 P HA 0.081 nan 4.420 nan 0.000 0.226 532 P C 0.326 177.234 177.300 -0.654 0.000 1.153 532 P CA 1.804 64.049 63.100 -1.425 0.000 0.777 532 P CB 0.281 31.405 31.700 -0.959 0.000 0.794 533 G N -1.086 107.521 108.800 -0.322 0.000 2.617 533 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.686 533 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.686 533 G C -0.444 174.395 174.900 -0.101 0.000 1.214 533 G CA -0.519 44.487 45.100 -0.157 0.000 0.796 533 G HN 0.075 nan 8.290 nan 0.000 0.654 534 S N 0.284 115.968 115.700 -0.027 0.000 2.525 534 S HA 0.519 4.989 4.470 -0.001 0.000 0.285 534 S C 1.811 176.411 174.600 0.001 0.000 1.283 534 S CA 2.028 60.245 58.200 0.028 0.000 1.072 534 S CB 0.188 63.446 63.200 0.097 0.000 0.867 534 S HN 2.693 nan 8.310 nan 0.000 0.492 535 G N 2.868 111.664 108.800 -0.006 0.000 2.195 535 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.246 535 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.246 535 G C 0.582 175.450 174.900 -0.054 0.000 0.984 535 G CA 0.275 45.358 45.100 -0.027 0.000 0.633 535 G HN 0.856 nan 8.290 nan 0.000 0.525 536 V N -0.224 119.641 119.914 -0.081 0.000 2.806 536 V HA 0.457 4.576 4.120 -0.001 0.000 0.239 536 V C 0.736 176.762 176.094 -0.113 0.000 1.113 536 V CA 1.808 64.042 62.300 -0.110 0.000 1.137 536 V CB 1.037 32.754 31.823 -0.177 0.000 0.865 536 V HN 0.542 nan 8.190 nan 0.000 0.482 537 E N -0.020 120.108 120.200 -0.120 0.000 2.321 537 E HA 0.157 4.506 4.350 -0.001 0.000 0.281 537 E C -1.724 174.841 176.600 -0.059 0.000 0.910 537 E CA -0.506 55.835 56.400 -0.097 0.000 0.770 537 E CB 1.750 31.365 29.700 -0.143 0.000 1.225 537 E HN 0.141 nan 8.360 nan 0.000 0.417 538 D N 3.062 123.450 120.400 -0.020 0.000 2.483 538 D HA 0.084 4.724 4.640 -0.001 0.000 0.220 538 D C 0.325 176.631 176.300 0.011 0.000 1.173 538 D CA 0.258 54.270 54.000 0.019 0.000 0.964 538 D CB 0.632 41.450 40.800 0.031 0.000 1.046 538 D HN 0.436 nan 8.370 nan 0.000 0.517 539 S N 2.345 118.042 115.700 -0.005 0.000 2.549 539 S HA 0.166 4.635 4.470 -0.001 0.000 0.225 539 S C 0.907 175.505 174.600 -0.003 0.000 1.039 539 S CA -0.448 57.745 58.200 -0.012 0.000 0.942 539 S CB 0.596 63.772 63.200 -0.040 0.000 0.881 539 S HN 0.224 nan 8.310 nan 0.000 0.503 540 R N 2.915 123.408 120.500 -0.013 0.000 2.537 540 R HA 0.320 4.659 4.340 -0.001 0.000 0.280 540 R C 0.323 176.645 176.300 0.037 0.000 1.058 540 R CA 0.457 56.524 56.100 -0.055 0.000 1.057 540 R CB 0.493 30.625 30.300 -0.280 0.000 0.973 540 R HN 0.500 nan 8.270 nan 0.000 0.438 541 T N -0.508 114.072 114.554 0.043 0.000 2.909 541 T HA 0.177 4.527 4.350 -0.001 0.000 0.289 541 T C 0.242 175.034 174.700 0.153 0.000 1.005 541 T CA -0.663 61.491 62.100 0.090 0.000 1.084 541 T CB 1.418 70.329 68.868 0.072 0.000 0.975 541 T HN 0.361 nan 8.240 nan 0.000 0.509 542 T N 3.753 118.411 114.554 0.174 0.000 2.806 542 T HA 0.408 4.758 4.350 -0.001 0.000 0.290 542 T C 0.394 175.198 174.700 0.174 0.000 0.966 542 T CA -0.510 61.721 62.100 0.218 0.000 1.060 542 T CB 0.230 69.198 68.868 0.166 0.000 0.927 542 T HN 0.583 nan 8.240 nan 0.000 0.485 543 I N 4.241 124.932 120.570 0.202 0.000 2.421 543 I HA 0.209 4.379 4.170 -0.001 0.000 0.291 543 I C 0.186 176.390 176.117 0.145 0.000 1.089 543 I CA -0.074 61.324 61.300 0.163 0.000 1.354 543 I CB 0.242 38.341 38.000 0.164 0.000 1.413 543 I HN 0.443 nan 8.210 nan 0.000 0.513 544 I N 8.065 128.705 120.570 0.118 0.000 2.297 544 I HA 0.324 4.493 4.170 -0.001 0.000 0.291 544 I C -0.134 176.045 176.117 0.103 0.000 1.033 544 I CA -0.204 61.158 61.300 0.104 0.000 1.253 544 I CB 0.465 38.514 38.000 0.082 0.000 1.396 544 I HN 0.399 nan 8.210 nan 0.000 0.476 545 L N 5.613 126.901 121.223 0.109 0.000 2.323 545 L HA 0.968 5.307 4.340 -0.001 0.000 0.265 545 L C 0.119 177.048 176.870 0.098 0.000 1.012 545 L CA -0.750 54.153 54.840 0.106 0.000 0.820 545 L CB 2.227 44.354 42.059 0.114 0.000 1.334 545 L HN 0.699 nan 8.230 nan 0.000 0.427 546 G N -0.132 108.722 108.800 0.090 0.000 2.443 546 G HA2 0.101 4.060 3.960 -0.001 0.000 0.303 546 G HA3 0.101 4.060 3.960 -0.001 0.000 0.303 546 G C -0.194 174.749 174.900 0.071 0.000 1.613 546 G CA -0.419 44.730 45.100 0.083 0.000 0.879 546 G HN 0.725 nan 8.290 nan 0.000 0.632 547 E N 0.312 120.551 120.200 0.066 0.000 2.171 547 E HA -0.171 4.178 4.350 -0.001 0.000 0.197 547 E C 0.882 177.510 176.600 0.047 0.000 0.997 547 E CA 1.625 58.057 56.400 0.053 0.000 0.810 547 E CB 0.129 29.856 29.700 0.045 0.000 0.738 547 E HN 0.449 nan 8.360 nan 0.000 0.467 548 D N -0.266 120.162 120.400 0.047 0.000 2.328 548 D HA 0.082 4.721 4.640 -0.001 0.000 0.221 548 D C 1.338 177.664 176.300 0.043 0.000 1.072 548 D CA 0.250 54.275 54.000 0.041 0.000 0.850 548 D CB 0.781 41.602 40.800 0.036 0.000 0.922 548 D HN 0.360 nan 8.370 nan 0.000 0.516 549 I N -0.850 119.751 120.570 0.051 0.000 4.676 549 I HA 0.108 4.277 4.170 -0.001 0.000 0.306 549 I C -1.328 174.827 176.117 0.063 0.000 1.178 549 I CA 0.076 61.408 61.300 0.053 0.000 1.335 549 I CB 1.261 39.292 38.000 0.053 0.000 1.541 549 I HN -0.191 nan 8.210 nan 0.000 0.469 550 L N 2.243 123.509 121.223 0.072 0.000 2.710 550 L HA 0.488 4.827 4.340 -0.001 0.000 0.262 550 L C -2.543 174.380 176.870 0.088 0.000 0.940 550 L CA -0.877 54.014 54.840 0.084 0.000 0.944 550 L CB 1.843 43.959 42.059 0.095 0.000 1.348 550 L HN -0.175 nan 8.230 nan 0.000 0.425 551 P HA 0.094 nan 4.420 nan 0.000 0.230 551 P C -0.214 177.140 177.300 0.090 0.000 1.168 551 P CA 0.673 63.822 63.100 0.082 0.000 0.793 551 P CB 0.532 32.273 31.700 0.068 0.000 0.851 552 S N -1.818 113.946 115.700 0.107 0.000 2.625 552 S HA 0.725 5.195 4.470 -0.001 0.000 0.271 552 S C -1.260 173.438 174.600 0.162 0.000 1.161 552 S CA -0.709 57.557 58.200 0.111 0.000 0.820 552 S CB 2.480 65.732 63.200 0.086 0.000 1.137 552 S HN -0.088 nan 8.310 nan 0.000 0.470 553 K N 0.340 120.838 120.400 0.164 0.000 2.525 553 K HA 0.575 4.894 4.320 -0.001 0.000 0.254 553 K C -2.050 174.710 176.600 0.267 0.000 0.934 553 K CA -0.236 56.199 56.287 0.246 0.000 0.802 553 K CB 1.027 33.637 32.500 0.183 0.000 1.295 553 K HN 0.837 nan 8.250 nan 0.000 0.433 554 H N 0.783 120.008 119.070 0.258 0.000 2.548 554 H HA 0.484 5.039 4.556 -0.001 0.000 0.331 554 H C -0.317 175.241 175.328 0.383 0.000 1.093 554 H CA -0.005 56.241 56.048 0.330 0.000 1.367 554 H CB 1.123 31.177 29.762 0.487 0.000 1.455 554 H HN 0.406 nan 8.280 nan 0.000 0.519 555 V N 1.005 121.184 119.914 0.441 0.000 2.914 555 V HA 0.771 4.891 4.120 -0.001 0.000 0.314 555 V C -0.723 175.718 176.094 0.578 0.000 1.084 555 V CA -0.876 61.673 62.300 0.414 0.000 0.963 555 V CB 2.028 33.841 31.823 -0.016 0.000 1.025 555 V HN 0.467 nan 8.190 nan 0.000 0.432 556 V N 3.887 124.168 119.914 0.612 0.000 2.709 556 V HA 0.637 4.757 4.120 -0.001 0.000 0.308 556 V C -0.522 175.928 176.094 0.594 0.000 1.062 556 V CA -0.374 62.249 62.300 0.538 0.000 0.901 556 V CB 1.929 33.929 31.823 0.295 0.000 1.003 556 V HN 0.940 nan 8.190 nan 0.000 0.425 557 M N 4.145 124.061 119.600 0.527 0.000 2.364 557 M HA 0.496 4.976 4.480 -0.001 0.000 0.334 557 M C -0.539 176.017 176.300 0.426 0.000 1.107 557 M CA -0.267 55.310 55.300 0.461 0.000 0.988 557 M CB 1.234 34.051 32.600 0.362 0.000 1.673 557 M HN 0.771 nan 8.290 nan 0.000 0.441 558 H N 2.016 121.287 119.070 0.335 0.000 2.492 558 H HA 0.512 5.068 4.556 -0.001 0.000 0.345 558 H C -1.398 174.041 175.328 0.184 0.000 1.136 558 H CA -0.603 55.604 56.048 0.266 0.000 1.202 558 H CB 1.248 31.226 29.762 0.359 0.000 1.524 558 H HN 0.669 nan 8.280 nan 0.000 0.506 559 N N 3.109 121.547 118.700 -0.436 0.000 2.569 559 N HA 0.042 4.781 4.740 -0.001 0.000 0.254 559 N C 0.249 175.433 175.510 -0.544 0.000 1.004 559 N CA -0.333 52.488 53.050 -0.382 0.000 0.904 559 N CB 1.621 39.999 38.487 -0.180 0.000 1.165 559 N HN 0.626 nan 8.380 nan 0.000 0.513 560 T N 2.893 117.160 114.554 -0.479 0.000 3.072 560 T HA 0.150 4.500 4.350 -0.001 0.000 0.266 560 T C 0.675 175.350 174.700 -0.041 0.000 1.127 560 T CA 0.473 62.481 62.100 -0.154 0.000 1.107 560 T CB -0.260 68.660 68.868 0.087 0.000 0.910 560 T HN 0.423 nan 8.240 nan 0.000 0.513 561 L N 2.879 124.022 121.223 -0.134 0.000 2.397 561 L HA 0.292 4.631 4.340 -0.001 0.000 0.271 561 L C -1.558 175.191 176.870 -0.201 0.000 1.148 561 L CA -1.809 52.919 54.840 -0.187 0.000 0.825 561 L CB 0.634 42.441 42.059 -0.421 0.000 1.117 561 L HN -0.032 nan 8.230 nan 0.000 0.456 562 P HA 0.039 nan 4.420 nan 0.000 0.243 562 P C -0.901 176.446 177.300 0.079 0.000 1.668 562 P CA 0.362 63.474 63.100 0.022 0.000 0.898 562 P CB -0.334 31.429 31.700 0.106 0.000 1.637 563 H N -3.328 115.764 119.070 0.036 0.000 3.012 563 H HA 0.230 4.785 4.556 -0.001 0.000 0.367 563 H C -1.060 174.299 175.328 0.052 0.000 1.211 563 H CA -1.062 55.028 56.048 0.071 0.000 1.139 563 H CB -0.055 29.780 29.762 0.122 0.000 1.838 563 H HN -0.128 nan 8.280 nan 0.000 0.550 564 W N 1.819 123.236 121.300 0.195 0.000 2.231 564 W HA 0.218 4.878 4.660 -0.001 0.000 0.341 564 W C 0.898 177.521 176.519 0.174 0.000 1.298 564 W CA 0.523 57.944 57.345 0.127 0.000 1.266 564 W CB 0.483 30.008 29.460 0.107 0.000 1.172 564 W HN 0.554 nan 8.180 nan 0.000 0.568 565 R N 2.247 122.958 120.500 0.352 0.000 2.604 565 R HA 0.314 4.654 4.340 -0.001 0.000 0.281 565 R C -1.190 175.244 176.300 0.223 0.000 1.020 565 R CA -0.653 55.602 56.100 0.258 0.000 0.899 565 R CB 1.470 31.840 30.300 0.116 0.000 1.205 565 R HN 0.506 nan 8.270 nan 0.000 0.450 566 E N 2.388 122.696 120.200 0.180 0.000 2.212 566 E HA 0.287 4.637 4.350 -0.001 0.000 0.268 566 E C -1.363 175.286 176.600 0.081 0.000 0.902 566 E CA -0.852 55.631 56.400 0.139 0.000 0.779 566 E CB 2.531 32.307 29.700 0.128 0.000 1.172 566 E HN 0.427 nan 8.360 nan 0.000 0.409 567 Q N 2.832 122.656 119.800 0.041 0.000 2.438 567 Q HA 0.256 4.595 4.340 -0.001 0.000 0.272 567 Q C -1.633 174.328 176.000 -0.065 0.000 0.994 567 Q CA -0.575 55.223 55.803 -0.008 0.000 0.887 567 Q CB 1.439 30.163 28.738 -0.024 0.000 1.432 567 Q HN 0.548 nan 8.270 nan 0.000 0.392 568 L N 2.934 124.112 121.223 -0.075 0.000 2.397 568 L HA 0.472 4.811 4.340 -0.001 0.000 0.271 568 L C 0.154 176.889 176.870 -0.226 0.000 1.148 568 L CA -0.498 54.261 54.840 -0.136 0.000 0.825 568 L CB 0.915 42.931 42.059 -0.072 0.000 1.117 568 L HN 0.506 nan 8.230 nan 0.000 0.456 569 V N -0.796 118.878 119.914 -0.400 0.000 2.823 569 V HA 0.686 4.806 4.120 -0.001 0.000 0.312 569 V C -0.992 174.821 176.094 -0.469 0.000 1.072 569 V CA -0.848 61.169 62.300 -0.472 0.000 0.937 569 V CB 2.131 33.621 31.823 -0.555 0.000 1.013 569 V HN 0.803 nan 8.190 nan 0.000 0.430 570 D N 1.676 121.799 120.400 -0.462 0.000 2.527 570 D HA 0.664 5.303 4.640 -0.001 0.000 0.233 570 D C -1.378 174.610 176.300 -0.520 0.000 1.063 570 D CA -0.434 53.409 54.000 -0.261 0.000 0.880 570 D CB 2.527 43.277 40.800 -0.083 0.000 1.457 570 D HN 0.450 nan 8.370 nan 0.000 0.475 571 F N -0.372 119.630 119.950 0.087 0.000 2.613 571 F HA 0.332 4.858 4.527 -0.001 0.000 0.310 571 F C -0.667 175.281 175.800 0.247 0.000 1.085 571 F CA -1.054 57.004 58.000 0.097 0.000 0.945 571 F CB 1.542 40.643 39.000 0.168 0.000 1.298 571 F HN 0.148 nan 8.300 nan 0.000 0.455 572 Y N 2.129 122.590 120.300 0.268 0.000 2.316 572 Y HA 0.570 5.120 4.550 -0.001 0.000 0.331 572 Y C 0.181 176.203 175.900 0.204 0.000 1.083 572 Y CA -1.512 56.694 58.100 0.176 0.000 1.206 572 Y CB 0.950 39.467 38.460 0.095 0.000 1.195 572 Y HN 0.346 nan 8.280 nan 0.000 0.497 573 V N -0.334 119.787 119.914 0.345 0.000 2.914 573 V HA 0.557 4.676 4.120 -0.001 0.000 0.314 573 V C 0.372 176.609 176.094 0.238 0.000 1.084 573 V CA -0.835 61.626 62.300 0.268 0.000 0.963 573 V CB 1.707 33.682 31.823 0.254 0.000 1.025 573 V HN 0.677 nan 8.190 nan 0.000 0.432 574 S N 0.281 116.099 115.700 0.196 0.000 2.650 574 S HA 0.272 4.741 4.470 -0.001 0.000 0.219 574 S C 0.620 175.365 174.600 0.241 0.000 0.960 574 S CA 0.443 58.750 58.200 0.179 0.000 0.925 574 S CB -0.385 62.889 63.200 0.123 0.000 0.775 574 S HN 1.547 nan 8.310 nan 0.000 0.525 575 S N 1.179 117.025 115.700 0.243 0.000 2.537 575 S HA 0.539 5.008 4.470 -0.001 0.000 0.270 575 S C -2.704 171.821 174.600 -0.125 0.000 1.142 575 S CA -1.182 57.054 58.200 0.059 0.000 0.870 575 S CB 1.957 65.199 63.200 0.071 0.000 1.112 575 S HN 0.015 nan 8.310 nan 0.000 0.466 576 P HA 0.199 nan 4.420 nan 0.000 0.245 576 P C -0.078 177.060 177.300 -0.271 0.000 1.206 576 P CA 0.252 62.987 63.100 -0.609 0.000 0.781 576 P CB -0.196 30.835 31.700 -1.114 0.000 0.994 577 F N 0.943 120.909 119.950 0.027 0.000 2.467 577 F HA 0.275 4.802 4.527 -0.001 0.000 0.349 577 F C 0.339 176.187 175.800 0.079 0.000 1.182 577 F CA -0.825 57.221 58.000 0.077 0.000 1.279 577 F CB 0.391 39.401 39.000 0.016 0.000 1.626 577 F HN -0.339 nan 8.300 nan 0.000 0.596 578 V N 1.129 121.178 119.914 0.225 0.000 2.709 578 V HA 0.536 4.655 4.120 -0.001 0.000 0.308 578 V C -0.364 175.798 176.094 0.113 0.000 1.062 578 V CA -0.827 61.563 62.300 0.151 0.000 0.901 578 V CB 2.290 34.194 31.823 0.134 0.000 1.003 578 V HN 0.523 nan 8.190 nan 0.000 0.425 579 S N 2.940 118.688 115.700 0.080 0.000 2.566 579 S HA 0.893 5.362 4.470 -0.001 0.000 0.298 579 S C -0.902 173.685 174.600 -0.022 0.000 1.083 579 S CA -0.814 57.415 58.200 0.048 0.000 0.978 579 S CB 2.070 65.317 63.200 0.078 0.000 1.073 579 S HN 0.447 nan 8.310 nan 0.000 0.491 580 V N 1.896 121.758 119.914 -0.087 0.000 2.581 580 V HA 0.833 4.952 4.120 -0.001 0.000 0.303 580 V C 0.143 176.144 176.094 -0.154 0.000 1.041 580 V CA -0.444 61.725 62.300 -0.218 0.000 0.907 580 V CB 1.544 33.042 31.823 -0.542 0.000 0.994 580 V HN 1.216 nan 8.190 nan 0.000 0.442 581 T N -0.535 113.949 114.554 -0.117 0.000 2.896 581 T HA 0.649 4.998 4.350 -0.001 0.000 0.297 581 T C -0.932 173.751 174.700 -0.029 0.000 1.108 581 T CA -0.929 61.126 62.100 -0.074 0.000 1.004 581 T CB 2.091 70.907 68.868 -0.087 0.000 1.159 581 T HN 0.705 nan 8.240 nan 0.000 0.499 582 D N 0.622 120.979 120.400 -0.072 0.000 2.506 582 D HA 0.281 4.920 4.640 -0.001 0.000 0.272 582 D C 1.011 177.180 176.300 -0.219 0.000 1.214 582 D CA -1.169 52.676 54.000 -0.258 0.000 1.067 582 D CB 0.257 40.894 40.800 -0.272 0.000 1.117 582 D HN 0.313 nan 8.370 nan 0.000 0.578 583 L N -0.625 120.452 121.223 -0.244 0.000 2.551 583 L HA 0.211 4.550 4.340 -0.001 0.000 0.228 583 L C 1.834 178.628 176.870 -0.127 0.000 1.153 583 L CA 0.910 55.647 54.840 -0.172 0.000 0.851 583 L CB -0.951 41.014 42.059 -0.156 0.000 0.959 583 L HN 0.638 nan 8.230 nan 0.000 0.451 584 A N -1.236 121.514 122.820 -0.117 0.000 2.307 584 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 584 A C 1.176 178.713 177.584 -0.079 0.000 1.228 584 A CA 0.469 52.454 52.037 -0.087 0.000 0.857 584 A CB -0.501 18.454 19.000 -0.076 0.000 0.897 584 A HN 0.502 nan 8.150 nan 0.000 0.495 585 N N -0.236 118.410 118.700 -0.090 0.000 2.829 585 N HA -0.136 4.604 4.740 -0.001 0.000 0.250 585 N C -1.072 174.391 175.510 -0.077 0.000 1.090 585 N CA 0.837 53.840 53.050 -0.079 0.000 0.781 585 N CB -1.903 36.548 38.487 -0.061 0.000 1.124 585 N HN 0.546 nan 8.380 nan 0.000 0.559 586 N N 1.316 119.967 118.700 -0.081 0.000 2.488 586 N HA 0.262 5.001 4.740 -0.001 0.000 0.274 586 N C -2.490 172.951 175.510 -0.116 0.000 1.111 586 N CA -0.806 52.191 53.050 -0.087 0.000 0.974 586 N CB 0.661 39.108 38.487 -0.067 0.000 1.089 586 N HN 0.270 nan 8.380 nan 0.000 0.465 587 P HA 0.056 nan 4.420 nan 0.000 0.268 587 P C -0.525 176.637 177.300 -0.229 0.000 1.205 587 P CA -0.096 62.816 63.100 -0.313 0.000 0.771 587 P CB 0.885 32.112 31.700 -0.788 0.000 0.858 588 V N 2.977 122.802 119.914 -0.148 0.000 2.487 588 V HA 0.203 4.322 4.120 -0.001 0.000 0.298 588 V C 0.620 176.704 176.094 -0.015 0.000 1.028 588 V CA -0.811 61.458 62.300 -0.051 0.000 0.860 588 V CB 1.367 33.167 31.823 -0.039 0.000 0.991 588 V HN 0.581 nan 8.190 nan 0.000 0.427 589 E N 2.919 123.151 120.200 0.053 0.000 2.415 589 E HA 0.429 4.779 4.350 -0.001 0.000 0.263 589 E C -0.207 176.460 176.600 0.112 0.000 0.995 589 E CA 0.105 56.568 56.400 0.106 0.000 0.915 589 E CB 0.843 30.610 29.700 0.110 0.000 0.951 589 E HN 0.867 nan 8.360 nan 0.000 0.449 590 A N 4.356 127.232 122.820 0.094 0.000 2.527 590 A HA 0.442 4.761 4.320 -0.001 0.000 0.293 590 A C -1.244 176.357 177.584 0.028 0.000 1.117 590 A CA -0.693 51.408 52.037 0.106 0.000 0.723 590 A CB 1.979 21.036 19.000 0.094 0.000 1.313 590 A HN 0.658 nan 8.150 nan 0.000 0.411 591 Q N 0.684 120.508 119.800 0.040 0.000 2.347 591 Q HA 0.663 5.002 4.340 -0.001 0.000 0.271 591 Q C -2.053 173.940 176.000 -0.012 0.000 1.064 591 Q CA -0.555 55.228 55.803 -0.032 0.000 0.800 591 Q CB 2.263 31.021 28.738 0.034 0.000 1.304 591 Q HN 0.584 nan 8.270 nan 0.000 0.438 592 V N 2.417 122.259 119.914 -0.119 0.000 2.555 592 V HA 0.621 4.740 4.120 -0.001 0.000 0.302 592 V C -0.638 175.632 176.094 0.293 0.000 1.038 592 V CA -0.333 62.007 62.300 0.066 0.000 0.887 592 V CB 1.952 33.773 31.823 -0.003 0.000 0.991 592 V HN 0.872 nan 8.190 nan 0.000 0.434 593 S N 4.762 120.673 115.700 0.352 0.000 2.667 593 S HA 0.707 5.176 4.470 -0.001 0.000 0.292 593 S C -2.832 171.841 174.600 0.120 0.000 1.126 593 S CA -1.218 57.179 58.200 0.328 0.000 0.881 593 S CB 2.446 65.779 63.200 0.222 0.000 1.132 593 S HN 0.527 nan 8.310 nan 0.000 0.492 594 P HA 0.326 nan 4.420 nan 0.000 0.276 594 P C -1.206 175.759 177.300 -0.559 0.000 1.261 594 P CA -0.553 62.147 63.100 -0.668 0.000 0.800 594 P CB 0.416 31.286 31.700 -1.384 0.000 1.066 595 V N 1.526 121.042 119.914 -0.663 0.000 2.348 595 V HA 0.218 4.338 4.120 -0.001 0.000 0.270 595 V C -0.665 175.130 176.094 -0.499 0.000 1.037 595 V CA -0.185 61.816 62.300 -0.498 0.000 0.872 595 V CB -0.230 31.203 31.823 -0.650 0.000 1.002 595 V HN 0.519 nan 8.190 nan 0.000 0.464 596 W N 3.429 124.633 121.300 -0.160 0.000 2.478 596 W HA 0.635 5.295 4.660 -0.001 0.000 0.318 596 W C 0.334 176.769 176.519 -0.140 0.000 1.062 596 W CA -0.436 56.799 57.345 -0.184 0.000 1.210 596 W CB 1.906 31.255 29.460 -0.185 0.000 1.325 596 W HN 0.562 nan 8.180 nan 0.000 0.496 597 S N 1.363 117.099 115.700 0.059 0.000 2.513 597 S HA 0.575 5.044 4.470 -0.001 0.000 0.299 597 S C -1.347 173.078 174.600 -0.292 0.000 1.087 597 S CA -0.956 57.229 58.200 -0.026 0.000 1.012 597 S CB 1.100 64.307 63.200 0.011 0.000 1.044 597 S HN 0.408 nan 8.310 nan 0.000 0.485 598 W N 1.868 122.948 121.300 -0.365 0.000 2.376 598 W HA 0.517 5.177 4.660 -0.001 0.000 0.322 598 W C 0.492 176.569 176.519 -0.738 0.000 1.160 598 W CA -0.118 56.989 57.345 -0.395 0.000 1.218 598 W CB 0.772 30.101 29.460 -0.219 0.000 1.205 598 W HN 0.618 nan 8.180 nan 0.000 0.559 599 H N 1.802 120.890 119.070 0.030 0.000 2.679 599 H HA 0.105 4.661 4.556 -0.001 0.000 0.360 599 H C -0.840 174.523 175.328 0.058 0.000 1.105 599 H CA -0.824 55.221 56.048 -0.006 0.000 1.196 599 H CB 1.852 31.531 29.762 -0.137 0.000 1.636 599 H HN 0.335 nan 8.280 nan 0.000 0.531 600 H N 2.831 121.976 119.070 0.126 0.000 2.911 600 H HA 0.008 4.563 4.556 -0.001 0.000 0.273 600 H C -0.518 174.888 175.328 0.130 0.000 1.157 600 H CA -0.224 55.894 56.048 0.117 0.000 1.402 600 H CB 0.036 29.843 29.762 0.075 0.000 1.463 600 H HN 0.537 nan 8.280 nan 0.000 0.475 601 D N 4.112 124.749 120.400 0.394 0.000 2.383 601 D HA -0.048 4.592 4.640 -0.001 0.000 0.245 601 D C 1.086 177.575 176.300 0.316 0.000 1.263 601 D CA 0.042 54.240 54.000 0.331 0.000 0.936 601 D CB 0.544 41.589 40.800 0.407 0.000 1.053 601 D HN 0.680 nan 8.370 nan 0.000 0.507 602 T N 1.303 115.984 114.554 0.213 0.000 3.025 602 T HA -0.125 4.225 4.350 -0.001 0.000 0.270 602 T C 1.786 176.545 174.700 0.098 0.000 1.126 602 T CA 0.261 62.432 62.100 0.117 0.000 1.105 602 T CB 0.214 69.088 68.868 0.010 0.000 0.884 602 T HN 0.267 nan 8.240 nan 0.000 0.522 603 L N 1.980 123.263 121.223 0.100 0.000 2.130 603 L HA 0.112 4.451 4.340 -0.001 0.000 0.200 603 L C 2.951 179.859 176.870 0.064 0.000 1.075 603 L CA 2.098 56.978 54.840 0.067 0.000 0.768 603 L CB -1.728 40.362 42.059 0.052 0.000 0.933 603 L HN 0.536 nan 8.230 nan 0.000 0.451 604 T N -3.933 110.666 114.554 0.075 0.000 3.100 604 T HA 0.006 4.355 4.350 -0.001 0.000 0.253 604 T C 0.759 175.496 174.700 0.062 0.000 1.118 604 T CA -0.202 61.923 62.100 0.042 0.000 1.058 604 T CB 0.063 68.926 68.868 -0.008 0.000 0.953 604 T HN 0.084 nan 8.240 nan 0.000 0.515 605 K N 2.131 122.600 120.400 0.115 0.000 3.096 605 K HA -0.129 4.191 4.320 -0.001 0.000 0.266 605 K C 0.140 176.782 176.600 0.070 0.000 1.043 605 K CA 1.278 57.645 56.287 0.134 0.000 0.758 605 K CB -2.759 29.799 32.500 0.097 0.000 1.260 605 K HN 0.888 nan 8.250 nan 0.000 0.481 606 T N -2.922 111.678 114.554 0.076 0.000 2.901 606 T HA 0.815 5.165 4.350 -0.001 0.000 0.293 606 T C 0.194 174.955 174.700 0.101 0.000 1.084 606 T CA -1.050 61.083 62.100 0.056 0.000 1.008 606 T CB 2.282 71.182 68.868 0.055 0.000 1.170 606 T HN 0.130 nan 8.240 nan 0.000 0.509 607 I N 2.720 123.356 120.570 0.111 0.000 2.382 607 I HA 0.503 4.672 4.170 -0.001 0.000 0.285 607 I C -0.356 176.005 176.117 0.407 0.000 1.007 607 I CA -0.697 60.702 61.300 0.165 0.000 1.142 607 I CB 0.811 38.828 38.000 0.027 0.000 1.289 607 I HN 0.941 nan 8.210 nan 0.000 0.453 608 H N 5.877 125.071 119.070 0.207 0.000 2.985 608 H HA 0.681 5.237 4.556 -0.001 0.000 0.360 608 H C -3.137 171.992 175.328 -0.332 0.000 1.221 608 H CA -2.369 53.674 56.048 -0.007 0.000 1.121 608 H CB 1.913 31.663 29.762 -0.020 0.000 1.854 608 H HN 0.145 nan 8.280 nan 0.000 0.551 609 P HA 0.204 nan 4.420 nan 0.000 0.292 609 P C -1.176 176.018 177.300 -0.177 0.000 1.283 609 P CA -0.642 61.922 63.100 -0.894 0.000 0.835 609 P CB 1.978 32.804 31.700 -1.457 0.000 1.017 610 Q N 0.879 120.700 119.800 0.034 0.000 2.353 610 Q HA 0.606 4.945 4.340 -0.001 0.000 0.268 610 Q C 0.147 176.213 176.000 0.110 0.000 1.045 610 Q CA -0.876 55.005 55.803 0.131 0.000 0.811 610 Q CB 2.452 31.212 28.738 0.036 0.000 1.305 610 Q HN 0.528 nan 8.270 nan 0.000 0.447 611 G N 0.807 109.557 108.800 -0.084 0.000 2.348 611 G HA2 0.302 4.261 3.960 -0.001 0.000 0.312 611 G HA3 0.302 4.261 3.960 -0.001 0.000 0.312 611 G C -0.309 174.326 174.900 -0.440 0.000 1.126 611 G CA -0.367 44.355 45.100 -0.630 0.000 0.865 611 G HN 0.431 nan 8.290 nan 0.000 0.474 612 S N 0.003 115.391 115.700 -0.520 0.000 2.562 612 S HA 0.262 4.732 4.470 -0.001 0.000 0.281 612 S C 1.607 175.937 174.600 -0.451 0.000 1.333 612 S CA 0.387 58.322 58.200 -0.441 0.000 1.052 612 S CB 0.806 63.688 63.200 -0.531 0.000 0.884 612 S HN 0.939 nan 8.310 nan 0.000 0.506 613 T N -0.072 114.300 114.554 -0.302 0.000 3.054 613 T HA 0.116 4.465 4.350 -0.001 0.000 0.255 613 T C 1.253 175.850 174.700 -0.172 0.000 1.035 613 T CA 0.536 62.523 62.100 -0.188 0.000 0.941 613 T CB -0.259 68.558 68.868 -0.085 0.000 1.026 613 T HN 0.704 nan 8.240 nan 0.000 0.533 614 T N -0.779 113.605 114.554 -0.284 0.000 2.985 614 T HA 0.326 4.675 4.350 -0.001 0.000 0.254 614 T C 0.349 174.870 174.700 -0.299 0.000 1.021 614 T CA -0.460 61.524 62.100 -0.192 0.000 0.957 614 T CB -0.037 68.760 68.868 -0.117 0.000 1.047 614 T HN 0.674 nan 8.240 nan 0.000 0.511 615 K N -0.194 119.811 120.400 -0.659 0.000 2.508 615 K HA 0.635 4.954 4.320 -0.001 0.000 0.260 615 K C -2.067 173.886 176.600 -1.078 0.000 0.949 615 K CA -1.041 54.883 56.287 -0.605 0.000 0.834 615 K CB 1.659 33.951 32.500 -0.348 0.000 1.365 615 K HN 0.117 nan 8.250 nan 0.000 0.437 616 Y N -0.150 120.079 120.300 -0.119 0.000 2.609 616 Y HA 0.483 5.032 4.550 -0.001 0.000 0.342 616 Y C -0.388 175.530 175.900 0.030 0.000 1.058 616 Y CA -1.195 56.856 58.100 -0.080 0.000 1.055 616 Y CB 2.169 40.648 38.460 0.031 0.000 1.292 616 Y HN 0.354 nan 8.280 nan 0.000 0.476 617 R N 1.636 122.270 120.500 0.224 0.000 2.294 617 R HA 0.561 4.901 4.340 -0.001 0.000 0.319 617 R C -1.244 175.227 176.300 0.284 0.000 0.984 617 R CA -0.603 55.673 56.100 0.292 0.000 0.861 617 R CB 1.572 32.020 30.300 0.247 0.000 1.104 617 R HN 0.644 nan 8.270 nan 0.000 0.451 618 I N 4.391 125.152 120.570 0.317 0.000 2.377 618 I HA 0.423 4.593 4.170 -0.001 0.000 0.293 618 I C -1.006 175.296 176.117 0.309 0.000 0.987 618 I CA -0.740 60.736 61.300 0.293 0.000 1.185 618 I CB 0.979 39.165 38.000 0.310 0.000 1.341 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.080 128.799 120.570 0.249 0.000 2.545 619 I HA 0.532 4.702 4.170 -0.001 0.000 0.292 619 I C -1.010 175.265 176.117 0.263 0.000 1.040 619 I CA -0.557 60.845 61.300 0.170 0.000 1.068 619 I CB 1.755 39.812 38.000 0.095 0.000 1.251 619 I HN 0.527 nan 8.210 nan 0.000 0.424 620 F N 2.546 122.521 119.950 0.041 0.000 2.713 620 F HA 0.551 5.077 4.527 -0.001 0.000 0.311 620 F C -1.086 174.695 175.800 -0.032 0.000 1.141 620 F CA -1.284 56.717 58.000 0.001 0.000 0.939 620 F CB 1.317 40.304 39.000 -0.022 0.000 1.325 620 F HN 0.236 nan 8.300 nan 0.000 0.453 621 K N 2.153 122.658 120.400 0.175 0.000 2.316 621 K HA 0.721 5.041 4.320 -0.001 0.000 0.289 621 K C -0.606 176.056 176.600 0.103 0.000 1.070 621 K CA -0.271 56.057 56.287 0.068 0.000 0.928 621 K CB 0.759 33.323 32.500 0.107 0.000 1.039 621 K HN 0.929 nan 8.250 nan 0.000 0.480 622 A N 4.664 127.455 122.820 -0.050 0.000 2.310 622 A HA 0.438 4.758 4.320 -0.001 0.000 0.299 622 A C -0.671 177.048 177.584 0.224 0.000 1.147 622 A CA -0.700 51.361 52.037 0.041 0.000 0.818 622 A CB 0.714 19.694 19.000 -0.034 0.000 1.096 622 A HN 0.880 nan 8.150 nan 0.000 0.495 623 R N 1.838 122.585 120.500 0.412 0.000 2.476 623 R HA 0.604 4.943 4.340 -0.001 0.000 0.305 623 R C -1.961 174.601 176.300 0.436 0.000 0.965 623 R CA -0.255 56.073 56.100 0.380 0.000 0.867 623 R CB 1.440 31.945 30.300 0.341 0.000 1.176 623 R HN 0.514 nan 8.270 nan 0.000 0.447 624 V N 5.629 125.756 119.914 0.355 0.000 2.656 624 V HA 0.474 4.593 4.120 -0.001 0.000 0.307 624 V C -2.294 173.704 176.094 -0.161 0.000 1.051 624 V CA -2.378 60.023 62.300 0.168 0.000 0.893 624 V CB 1.888 33.776 31.823 0.108 0.000 0.999 624 V HN 0.775 nan 8.190 nan 0.000 0.426 625 P HA 0.205 nan 4.420 nan 0.000 0.271 625 P C -2.736 174.073 177.300 -0.817 0.000 1.233 625 P CA -1.215 60.988 63.100 -1.495 0.000 0.789 625 P CB -0.249 30.775 31.700 -1.126 0.000 0.951 626 P HA 0.093 nan 4.420 nan 0.000 0.267 626 P C 0.127 177.374 177.300 -0.089 0.000 1.205 626 P CA 0.554 63.460 63.100 -0.323 0.000 0.765 626 P CB -0.197 31.385 31.700 -0.197 0.000 0.828 627 M N 0.298 119.898 119.600 -0.000 0.000 2.210 627 M HA -0.221 4.259 4.480 -0.001 0.000 0.198 627 M C 0.603 177.081 176.300 0.297 0.000 0.319 627 M CA 0.938 56.376 55.300 0.231 0.000 0.399 627 M CB -2.029 30.802 32.600 0.384 0.000 1.227 627 M HN 0.579 nan 8.290 nan 0.000 0.931 628 G N -0.210 108.620 108.800 0.050 0.000 3.176 628 G HA2 0.942 4.901 3.960 -0.001 0.000 0.272 628 G HA3 0.942 4.901 3.960 -0.001 0.000 0.272 628 G C -1.263 173.751 174.900 0.192 0.000 1.349 628 G CA -0.965 44.136 45.100 0.001 0.000 0.953 628 G HN 0.193 nan 8.290 nan 0.000 0.559 629 L N -0.575 120.741 121.223 0.154 0.000 2.393 629 L HA 0.797 5.137 4.340 -0.001 0.000 0.260 629 L C -0.334 176.623 176.870 0.145 0.000 1.002 629 L CA -1.051 53.916 54.840 0.211 0.000 0.818 629 L CB 2.495 44.691 42.059 0.228 0.000 1.369 629 L HN 0.760 nan 8.230 nan 0.000 0.412 630 A N 0.707 123.655 122.820 0.213 0.000 2.427 630 A HA 0.783 5.102 4.320 -0.001 0.000 0.298 630 A C -0.794 176.931 177.584 0.235 0.000 1.036 630 A CA -0.445 51.699 52.037 0.178 0.000 0.701 630 A CB 1.694 20.849 19.000 0.258 0.000 1.250 630 A HN 0.555 nan 8.150 nan 0.000 0.412 631 T N 2.218 116.806 114.554 0.058 0.000 2.829 631 T HA 0.645 4.994 4.350 -0.001 0.000 0.282 631 T C -0.981 173.613 174.700 -0.177 0.000 0.990 631 T CA 0.267 62.447 62.100 0.133 0.000 1.028 631 T CB 0.322 69.279 68.868 0.148 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.314 120.714 120.300 0.166 0.000 2.634 632 Y HA 0.671 5.221 4.550 -0.001 0.000 0.340 632 Y C -0.336 175.505 175.900 -0.098 0.000 1.058 632 Y CA -1.180 56.930 58.100 0.017 0.000 1.081 632 Y CB 1.711 40.188 38.460 0.029 0.000 1.295 632 Y HN 0.309 nan 8.280 nan 0.000 0.487 633 V N 3.061 122.947 119.914 -0.048 0.000 2.588 633 V HA 0.438 4.557 4.120 -0.001 0.000 0.304 633 V C -0.822 175.215 176.094 -0.095 0.000 1.042 633 V CA -0.945 61.259 62.300 -0.160 0.000 0.877 633 V CB 1.756 33.411 31.823 -0.280 0.000 0.996 633 V HN 0.490 nan 8.190 nan 0.000 0.425 634 L N 3.957 125.150 121.223 -0.050 0.000 2.296 634 L HA 0.694 5.034 4.340 -0.001 0.000 0.286 634 L C -0.125 176.758 176.870 0.021 0.000 1.023 634 L CA -0.158 54.669 54.840 -0.023 0.000 0.812 634 L CB 1.853 43.914 42.059 0.002 0.000 1.223 634 L HN 0.603 nan 8.230 nan 0.000 0.421 635 T N 3.692 118.263 114.554 0.029 0.000 2.848 635 T HA 0.468 4.818 4.350 -0.001 0.000 0.285 635 T C -0.245 174.501 174.700 0.078 0.000 0.995 635 T CA -0.382 61.748 62.100 0.050 0.000 0.970 635 T CB 2.406 71.293 68.868 0.031 0.000 0.976 635 T HN 0.401 nan 8.240 nan 0.000 0.441 636 I N 2.950 123.576 120.570 0.092 0.000 2.612 636 I HA 0.604 4.774 4.170 -0.001 0.000 0.295 636 I C 0.145 176.325 176.117 0.106 0.000 1.011 636 I CA 0.027 61.399 61.300 0.120 0.000 1.326 636 I CB 0.868 38.943 38.000 0.124 0.000 1.427 636 I HN 0.831 nan 8.210 nan 0.000 0.537 637 S N 3.364 119.143 115.700 0.132 0.000 2.661 637 S HA 0.366 4.835 4.470 -0.001 0.000 0.285 637 S C 0.097 174.716 174.600 0.032 0.000 1.138 637 S CA -0.782 57.459 58.200 0.068 0.000 0.855 637 S CB 1.579 64.806 63.200 0.045 0.000 1.136 637 S HN 0.646 nan 8.310 nan 0.000 0.484 638 D N 1.199 121.562 120.400 -0.061 0.000 2.144 638 D HA 0.077 4.716 4.640 -0.001 0.000 0.199 638 D C 1.100 177.123 176.300 -0.461 0.000 0.984 638 D CA 1.850 55.762 54.000 -0.147 0.000 0.834 638 D CB 0.008 40.734 40.800 -0.125 0.000 0.955 638 D HN 0.705 nan 8.370 nan 0.000 0.465 639 S N -1.762 113.602 115.700 -0.560 0.000 2.840 639 S HA 0.378 4.847 4.470 -0.001 0.000 0.307 639 S C -0.668 173.553 174.600 -0.631 0.000 1.180 639 S CA -1.056 56.521 58.200 -1.037 0.000 0.846 639 S CB 1.592 64.453 63.200 -0.565 0.000 1.233 639 S HN -0.165 nan 8.310 nan 0.000 0.548 640 K N 2.724 122.877 120.400 -0.412 0.000 2.440 640 K HA 0.139 4.459 4.320 -0.001 0.000 0.275 640 K C -2.129 174.519 176.600 0.079 0.000 1.082 640 K CA -0.474 55.864 56.287 0.084 0.000 1.135 640 K CB -0.391 32.169 32.500 0.101 0.000 0.864 640 K HN 0.414 nan 8.250 nan 0.000 0.479 641 P HA 0.006 nan 4.420 nan 0.000 0.276 641 P C 0.286 177.613 177.300 0.045 0.000 1.244 641 P CA -0.252 62.902 63.100 0.089 0.000 0.801 641 P CB 1.031 32.805 31.700 0.123 0.000 1.006 642 E N 1.016 121.198 120.200 -0.030 0.000 2.118 642 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 642 E C 0.658 177.057 176.600 -0.334 0.000 0.992 642 E CA 1.189 57.469 56.400 -0.199 0.000 0.804 642 E CB -0.083 29.429 29.700 -0.314 0.000 0.741 642 E HN 0.478 nan 8.360 nan 0.000 0.458 643 H N -0.697 118.386 119.070 0.021 0.000 2.505 643 H HA 0.217 4.773 4.556 -0.001 0.000 0.289 643 H C -0.416 174.907 175.328 -0.008 0.000 1.052 643 H CA 0.174 56.228 56.048 0.010 0.000 1.156 643 H CB 0.688 30.453 29.762 0.006 0.000 1.507 643 H HN -0.045 nan 8.280 nan 0.000 0.548 644 T N 1.570 116.144 114.554 0.034 0.000 2.812 644 T HA 0.304 4.654 4.350 -0.001 0.000 0.282 644 T C 0.335 174.913 174.700 -0.203 0.000 0.990 644 T CA -0.693 61.359 62.100 -0.080 0.000 0.960 644 T CB 2.098 70.913 68.868 -0.089 0.000 0.948 644 T HN 0.279 nan 8.240 nan 0.000 0.438 645 S N 2.412 117.949 115.700 -0.271 0.000 2.718 645 S HA 0.789 5.258 4.470 -0.001 0.000 0.300 645 S C -1.363 172.881 174.600 -0.593 0.000 1.117 645 S CA -0.803 57.254 58.200 -0.239 0.000 1.002 645 S CB 0.849 64.018 63.200 -0.051 0.000 1.092 645 S HN 0.568 nan 8.310 nan 0.000 0.542 646 Y N -0.138 120.161 120.300 -0.000 0.000 2.425 646 Y HA 0.663 5.212 4.550 -0.001 0.000 0.344 646 Y C 0.546 176.488 175.900 0.071 0.000 0.969 646 Y CA -0.811 57.271 58.100 -0.030 0.000 1.052 646 Y CB 1.716 40.020 38.460 -0.260 0.000 1.215 646 Y HN 1.033 nan 8.280 nan 0.000 0.451 647 A N 1.870 124.870 122.820 0.300 0.000 2.351 647 A HA 0.553 4.873 4.320 -0.001 0.000 0.257 647 A C 0.177 177.963 177.584 0.336 0.000 1.087 647 A CA -0.344 51.863 52.037 0.282 0.000 0.798 647 A CB -0.007 19.160 19.000 0.278 0.000 1.033 647 A HN 0.759 nan 8.150 nan 0.000 0.488 648 S N 1.862 117.696 115.700 0.225 0.000 2.646 648 S HA 0.596 5.066 4.470 -0.001 0.000 0.276 648 S C -0.401 174.302 174.600 0.171 0.000 1.222 648 S CA -0.924 57.395 58.200 0.198 0.000 1.014 648 S CB 0.896 64.168 63.200 0.120 0.000 0.991 648 S HN 0.696 nan 8.310 nan 0.000 0.533 649 N N 0.343 119.124 118.700 0.135 0.000 2.235 649 N HA 0.537 5.277 4.740 -0.001 0.000 0.293 649 N C -1.983 173.477 175.510 -0.083 0.000 1.083 649 N CA -0.540 52.545 53.050 0.057 0.000 0.801 649 N CB 2.101 40.711 38.487 0.205 0.000 1.559 649 N HN 0.603 nan 8.380 nan 0.000 0.472 650 L N 2.255 123.376 121.223 -0.169 0.000 2.441 650 L HA 0.467 4.806 4.340 -0.001 0.000 0.270 650 L C -1.623 175.078 176.870 -0.282 0.000 0.973 650 L CA -0.520 54.185 54.840 -0.226 0.000 0.842 650 L CB 1.539 43.526 42.059 -0.122 0.000 1.239 650 L HN 0.428 nan 8.230 nan 0.000 0.406 651 L N 6.623 127.614 121.223 -0.386 0.000 2.265 651 L HA 0.476 4.815 4.340 -0.001 0.000 0.289 651 L C -1.240 175.580 176.870 -0.085 0.000 1.033 651 L CA -0.381 54.295 54.840 -0.274 0.000 0.814 651 L CB 1.165 43.038 42.059 -0.309 0.000 1.203 651 L HN 0.692 nan 8.230 nan 0.000 0.423 652 L N 6.926 128.127 121.223 -0.036 0.000 2.265 652 L HA 0.572 4.912 4.340 -0.001 0.000 0.289 652 L C -0.324 176.576 176.870 0.051 0.000 1.033 652 L CA -0.530 54.322 54.840 0.021 0.000 0.814 652 L CB 1.154 43.219 42.059 0.010 0.000 1.203 652 L HN 0.672 nan 8.230 nan 0.000 0.423 653 R N 2.051 122.595 120.500 0.073 0.000 2.825 653 R HA 0.403 4.742 4.340 -0.001 0.000 0.274 653 R C -1.790 174.544 176.300 0.057 0.000 1.026 653 R CA -1.029 55.109 56.100 0.063 0.000 0.867 653 R CB 0.937 31.276 30.300 0.065 0.000 1.268 653 R HN 0.129 nan 8.270 nan 0.000 0.491 654 K N 1.502 121.923 120.400 0.035 0.000 2.154 654 K HA 0.193 4.512 4.320 -0.001 0.000 0.264 654 K C -0.273 176.327 176.600 0.000 0.000 1.008 654 K CA -0.557 55.742 56.287 0.020 0.000 0.937 654 K CB 0.603 33.111 32.500 0.014 0.000 1.002 654 K HN 0.830 nan 8.250 nan 0.000 0.469 655 N N 0.985 119.676 118.700 -0.016 0.000 2.726 655 N HA -0.109 4.630 4.740 -0.001 0.000 0.253 655 N C -2.627 172.841 175.510 -0.070 0.000 1.059 655 N CA 0.115 53.138 53.050 -0.045 0.000 0.701 655 N CB -0.682 37.779 38.487 -0.043 0.000 0.899 655 N HN 0.416 nan 8.380 nan 0.000 0.548 656 P HA 0.354 nan 4.420 nan 0.000 0.279 656 P C -0.430 176.706 177.300 -0.273 0.000 1.252 656 P CA -0.217 62.799 63.100 -0.141 0.000 0.811 656 P CB 1.226 32.855 31.700 -0.119 0.000 1.035 657 T N -2.749 111.642 114.554 -0.273 0.000 2.916 657 T HA 0.474 4.823 4.350 -0.001 0.000 0.292 657 T C 0.241 174.757 174.700 -0.305 0.000 1.055 657 T CA -0.743 61.205 62.100 -0.254 0.000 1.009 657 T CB 0.633 69.425 68.868 -0.126 0.000 1.118 657 T HN 0.469 nan 8.240 nan 0.000 0.497 658 S N 1.196 116.759 115.700 -0.229 0.000 2.559 658 S HA 0.309 4.778 4.470 -0.001 0.000 0.282 658 S C -0.116 174.571 174.600 0.146 0.000 1.336 658 S CA -0.680 57.479 58.200 -0.068 0.000 1.037 658 S CB -0.373 62.813 63.200 -0.024 0.000 0.853 658 S HN 0.705 nan 8.310 nan 0.000 0.523 659 L N 2.865 124.282 121.223 0.323 0.000 2.481 659 L HA 0.380 4.719 4.340 -0.001 0.000 0.255 659 L C -2.250 174.736 176.870 0.193 0.000 1.192 659 L CA -1.609 53.405 54.840 0.291 0.000 0.924 659 L CB 1.714 44.036 42.059 0.438 0.000 1.179 659 L HN 0.616 nan 8.230 nan 0.000 0.491 660 P HA 0.193 nan 4.420 nan 0.000 0.274 660 P C -0.261 177.038 177.300 -0.001 0.000 1.231 660 P CA -0.219 62.919 63.100 0.064 0.000 0.790 660 P CB 1.801 33.528 31.700 0.045 0.000 0.951 661 L N 1.333 122.565 121.223 0.014 0.000 3.291 661 L HA 0.291 4.630 4.340 -0.001 0.000 0.307 661 L C 1.457 178.397 176.870 0.117 0.000 1.303 661 L CA -0.247 54.579 54.840 -0.024 0.000 0.949 661 L CB 0.114 42.124 42.059 -0.083 0.000 1.375 661 L HN 0.718 nan 8.230 nan 0.000 0.596 662 G N 1.103 109.951 108.800 0.078 0.000 2.660 662 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.321 662 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.321 662 G C 0.624 175.592 174.900 0.113 0.000 1.246 662 G CA 0.885 46.053 45.100 0.113 0.000 1.000 662 G HN 0.507 nan 8.290 nan 0.000 0.550 663 Q N -0.492 119.370 119.800 0.103 0.000 2.451 663 Q HA 0.204 4.543 4.340 -0.001 0.000 0.206 663 Q C 0.795 176.642 176.000 -0.254 0.000 0.947 663 Q CA 0.120 55.869 55.803 -0.090 0.000 0.937 663 Q CB 0.305 28.909 28.738 -0.222 0.000 1.025 663 Q HN 0.509 nan 8.270 nan 0.000 0.511 664 Y N 4.203 124.317 120.300 -0.310 0.000 2.881 664 Y HA -0.078 4.472 4.550 -0.001 0.000 0.335 664 Y C -1.303 174.447 175.900 -0.249 0.000 1.263 664 Y CA -1.254 56.642 58.100 -0.341 0.000 1.572 664 Y CB 0.784 39.209 38.460 -0.058 0.000 1.237 664 Y HN 0.061 nan 8.280 nan 0.000 0.568 665 P HA -0.065 nan 4.420 nan 0.000 0.245 665 P C -0.675 176.466 177.300 -0.264 0.000 1.212 665 P CA 0.705 63.541 63.100 -0.439 0.000 0.774 665 P CB 0.310 31.637 31.700 -0.621 0.000 0.999 666 E N 0.768 120.856 120.200 -0.185 0.000 2.199 666 E HA 0.220 4.569 4.350 -0.001 0.000 0.265 666 E C -0.834 175.903 176.600 0.227 0.000 0.882 666 E CA -0.811 55.619 56.400 0.050 0.000 0.759 666 E CB 0.828 30.585 29.700 0.095 0.000 1.148 666 E HN -0.169 nan 8.360 nan 0.000 0.412 667 D N 3.015 123.504 120.400 0.148 0.000 2.389 667 D HA 0.087 4.727 4.640 -0.001 0.000 0.247 667 D C -0.046 176.339 176.300 0.141 0.000 1.128 667 D CA -0.103 53.990 54.000 0.154 0.000 0.884 667 D CB 1.359 42.233 40.800 0.124 0.000 1.194 667 D HN 0.238 nan 8.370 nan 0.000 0.441 668 V N 3.582 123.572 119.914 0.127 0.000 2.740 668 V HA -0.013 4.106 4.120 -0.001 0.000 0.303 668 V C 0.796 176.781 176.094 -0.182 0.000 1.054 668 V CA 0.096 62.383 62.300 -0.021 0.000 1.106 668 V CB 0.657 32.455 31.823 -0.042 0.000 0.957 668 V HN 0.315 nan 8.190 nan 0.000 0.486 669 K N 3.277 123.493 120.400 -0.306 0.000 2.123 669 K HA 0.675 4.994 4.320 -0.001 0.000 0.248 669 K C -0.889 175.337 176.600 -0.624 0.000 0.969 669 K CA -0.395 55.745 56.287 -0.245 0.000 0.882 669 K CB 1.590 34.044 32.500 -0.075 0.000 1.080 669 K HN 0.408 nan 8.250 nan 0.000 0.441 670 F N -1.065 118.898 119.950 0.023 0.000 2.611 670 F HA 0.730 5.256 4.527 -0.001 0.000 0.324 670 F C 0.640 176.445 175.800 0.008 0.000 1.061 670 F CA -0.577 57.428 58.000 0.008 0.000 0.954 670 F CB 2.636 41.640 39.000 0.006 0.000 1.301 670 F HN 0.589 nan 8.300 nan 0.000 0.482 671 G N 0.160 109.066 108.800 0.176 0.000 2.523 671 G HA2 0.375 4.335 3.960 -0.001 0.000 0.291 671 G HA3 0.375 4.335 3.960 -0.001 0.000 0.291 671 G C -2.281 172.670 174.900 0.084 0.000 1.450 671 G CA -0.868 44.295 45.100 0.104 0.000 0.790 671 G HN 0.360 nan 8.290 nan 0.000 0.496 672 D N 0.779 121.216 120.400 0.062 0.000 2.339 672 D HA 0.430 5.070 4.640 -0.001 0.000 0.245 672 D C -1.985 174.342 176.300 0.045 0.000 1.115 672 D CA -0.729 53.301 54.000 0.050 0.000 0.917 672 D CB 1.198 42.022 40.800 0.040 0.000 1.192 672 D HN 0.002 nan 8.370 nan 0.000 0.428 673 P HA 0.058 nan 4.420 nan 0.000 0.264 673 P C -0.444 176.881 177.300 0.043 0.000 1.183 673 P CA 0.449 63.575 63.100 0.044 0.000 0.763 673 P CB 0.410 32.137 31.700 0.045 0.000 0.807 674 R N 0.386 120.914 120.500 0.046 0.000 2.690 674 R HA 0.409 4.749 4.340 -0.001 0.000 0.269 674 R C -1.165 175.173 176.300 0.063 0.000 1.037 674 R CA -1.015 55.114 56.100 0.047 0.000 0.877 674 R CB 1.066 31.390 30.300 0.040 0.000 1.255 674 R HN 0.226 nan 8.270 nan 0.000 0.467 675 E N 1.248 121.487 120.200 0.064 0.000 2.398 675 E HA 0.277 4.627 4.350 -0.001 0.000 0.263 675 E C -0.083 176.576 176.600 0.098 0.000 1.046 675 E CA -0.083 56.370 56.400 0.089 0.000 0.908 675 E CB 0.909 30.646 29.700 0.062 0.000 0.963 675 E HN 0.446 nan 8.360 nan 0.000 0.431 676 I N -1.931 118.733 120.570 0.156 0.000 3.095 676 I HA 0.575 4.745 4.170 -0.001 0.000 0.310 676 I C -0.918 175.348 176.117 0.248 0.000 1.196 676 I CA -0.626 60.769 61.300 0.158 0.000 0.985 676 I CB 2.444 40.510 38.000 0.109 0.000 1.250 676 I HN 0.305 nan 8.210 nan 0.000 0.446 677 S N 3.968 119.788 115.700 0.201 0.000 2.541 677 S HA 0.887 5.356 4.470 -0.001 0.000 0.280 677 S C -1.394 173.330 174.600 0.207 0.000 1.112 677 S CA -0.550 57.782 58.200 0.221 0.000 0.925 677 S CB 1.119 64.399 63.200 0.132 0.000 1.067 677 S HN 0.741 nan 8.310 nan 0.000 0.479 678 L N 3.018 124.388 121.223 0.246 0.000 2.424 678 L HA 0.709 5.049 4.340 -0.001 0.000 0.258 678 L C -0.481 176.483 176.870 0.157 0.000 0.995 678 L CA -0.785 54.168 54.840 0.189 0.000 0.821 678 L CB 2.505 44.689 42.059 0.209 0.000 1.383 678 L HN 0.734 nan 8.230 nan 0.000 0.410 679 R N 1.486 122.055 120.500 0.115 0.000 2.510 679 R HA 0.652 4.991 4.340 -0.001 0.000 0.287 679 R C -2.089 174.257 176.300 0.077 0.000 1.084 679 R CA -0.451 55.703 56.100 0.091 0.000 0.934 679 R CB 2.208 32.553 30.300 0.074 0.000 1.201 679 R HN 0.406 nan 8.270 nan 0.000 0.431 680 V N 4.728 124.686 119.914 0.073 0.000 2.435 680 V HA 0.567 4.686 4.120 -0.001 0.000 0.290 680 V C 1.127 177.252 176.094 0.053 0.000 1.030 680 V CA 0.691 63.030 62.300 0.065 0.000 0.881 680 V CB 1.179 33.043 31.823 0.068 0.000 0.983 680 V HN 1.107 nan 8.190 nan 0.000 0.445 681 G N 5.109 113.938 108.800 0.049 0.000 2.611 681 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.301 681 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.301 681 G C 0.589 175.510 174.900 0.035 0.000 1.233 681 G CA 0.740 45.864 45.100 0.041 0.000 0.993 681 G HN 0.673 nan 8.290 nan 0.000 0.553 682 N N 2.284 121.001 118.700 0.028 0.000 2.205 682 N HA 0.223 4.962 4.740 -0.001 0.000 0.201 682 N C 1.436 176.956 175.510 0.016 0.000 1.128 682 N CA 0.961 54.023 53.050 0.020 0.000 0.867 682 N CB 0.287 38.783 38.487 0.015 0.000 0.996 682 N HN 0.838 nan 8.380 nan 0.000 0.503 683 G N 2.414 111.228 108.800 0.022 0.000 2.518 683 G HA2 0.036 3.995 3.960 -0.001 0.000 0.284 683 G HA3 0.036 3.995 3.960 -0.001 0.000 0.284 683 G C -2.160 172.747 174.900 0.012 0.000 1.362 683 G CA -0.398 44.713 45.100 0.019 0.000 1.065 683 G HN 0.045 nan 8.290 nan 0.000 0.561 684 P HA 0.217 nan 4.420 nan 0.000 0.274 684 P C -0.563 176.744 177.300 0.012 0.000 1.256 684 P CA -0.030 63.065 63.100 -0.009 0.000 0.795 684 P CB 0.908 32.598 31.700 -0.018 0.000 1.038 685 T N 1.580 116.131 114.554 -0.005 0.000 2.779 685 T HA 0.502 4.851 4.350 -0.001 0.000 0.280 685 T C -0.110 174.608 174.700 0.030 0.000 0.987 685 T CA -0.410 61.714 62.100 0.041 0.000 0.966 685 T CB 0.213 69.116 68.868 0.058 0.000 0.933 685 T HN 0.170 nan 8.240 nan 0.000 0.442 686 L N 2.503 123.760 121.223 0.057 0.000 2.329 686 L HA 0.830 5.170 4.340 -0.001 0.000 0.279 686 L C 0.107 176.927 176.870 -0.083 0.000 1.014 686 L CA -1.229 53.571 54.840 -0.067 0.000 0.814 686 L CB 1.618 43.611 42.059 -0.109 0.000 1.257 686 L HN 0.640 nan 8.230 nan 0.000 0.424 687 A N 2.826 125.506 122.820 -0.232 0.000 2.337 687 A HA 0.878 5.197 4.320 -0.001 0.000 0.329 687 A C -1.214 176.138 177.584 -0.388 0.000 1.146 687 A CA -0.302 51.659 52.037 -0.126 0.000 0.800 687 A CB 0.840 19.823 19.000 -0.028 0.000 1.220 687 A HN 0.496 nan 8.150 nan 0.000 0.472 688 F N 0.711 120.709 119.950 0.080 0.000 2.561 688 F HA 0.565 5.091 4.527 -0.001 0.000 0.321 688 F C 1.054 176.900 175.800 0.076 0.000 1.065 688 F CA -0.364 57.697 58.000 0.102 0.000 0.934 688 F CB 2.125 41.189 39.000 0.107 0.000 1.215 688 F HN 0.662 nan 8.300 nan 0.000 0.471 689 S N -0.191 115.667 115.700 0.265 0.000 2.624 689 S HA 0.135 4.605 4.470 -0.001 0.000 0.263 689 S C 0.896 175.599 174.600 0.170 0.000 1.287 689 S CA -0.192 58.105 58.200 0.161 0.000 0.990 689 S CB 0.728 64.009 63.200 0.135 0.000 0.950 689 S HN 0.834 nan 8.310 nan 0.000 0.561 690 E N -0.303 119.963 120.200 0.111 0.000 2.472 690 E HA -0.167 4.182 4.350 -0.001 0.000 0.200 690 E C 1.141 177.799 176.600 0.098 0.000 1.046 690 E CA 0.822 57.278 56.400 0.093 0.000 0.871 690 E CB -0.405 29.334 29.700 0.064 0.000 0.806 690 E HN 0.745 nan 8.360 nan 0.000 0.533 691 Q N -0.003 119.871 119.800 0.124 0.000 2.280 691 Q HA 0.200 4.540 4.340 -0.001 0.000 0.201 691 Q C 0.784 176.872 176.000 0.146 0.000 0.890 691 Q CA 0.437 56.312 55.803 0.119 0.000 0.947 691 Q CB 1.028 29.841 28.738 0.126 0.000 1.081 691 Q HN 0.487 nan 8.270 nan 0.000 0.502 692 G N 0.490 109.397 108.800 0.179 0.000 2.147 692 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 692 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 692 G C -0.283 174.845 174.900 0.381 0.000 1.005 692 G CA -0.071 45.142 45.100 0.189 0.000 0.713 692 G HN 0.262 nan 8.290 nan 0.000 0.515 693 L N -0.348 121.146 121.223 0.452 0.000 2.334 693 L HA 0.695 5.034 4.340 -0.001 0.000 0.276 693 L C 0.794 177.988 176.870 0.540 0.000 1.014 693 L CA -1.426 53.737 54.840 0.538 0.000 0.815 693 L CB 1.559 43.847 42.059 0.382 0.000 1.268 693 L HN 0.129 nan 8.230 nan 0.000 0.428 694 L N 2.589 124.112 121.223 0.500 0.000 2.543 694 L HA -0.040 4.299 4.340 -0.001 0.000 0.285 694 L C 0.765 177.703 176.870 0.113 0.000 1.236 694 L CA 1.185 56.051 54.840 0.043 0.000 0.871 694 L CB 0.116 42.225 42.059 0.084 0.000 1.121 694 L HN 0.626 nan 8.230 nan 0.000 0.501 695 K N 1.123 121.479 120.400 -0.073 0.000 2.462 695 K HA 0.249 4.568 4.320 -0.001 0.000 0.201 695 K C -0.418 176.121 176.600 -0.100 0.000 1.268 695 K CA 0.608 56.869 56.287 -0.042 0.000 0.933 695 K CB 0.650 33.108 32.500 -0.070 0.000 1.162 695 K HN 0.822 nan 8.250 nan 0.000 0.527 696 S N -0.268 115.348 115.700 -0.141 0.000 2.567 696 S HA 0.523 4.992 4.470 -0.001 0.000 0.270 696 S C -1.242 173.293 174.600 -0.108 0.000 1.152 696 S CA -1.009 57.131 58.200 -0.100 0.000 0.835 696 S CB 1.384 64.576 63.200 -0.013 0.000 1.115 696 S HN 0.048 nan 8.310 nan 0.000 0.459 697 I N 1.458 121.972 120.570 -0.094 0.000 2.498 697 I HA 0.473 4.643 4.170 -0.001 0.000 0.290 697 I C -0.546 175.492 176.117 -0.131 0.000 1.032 697 I CA -0.396 60.843 61.300 -0.102 0.000 1.073 697 I CB 2.138 40.075 38.000 -0.105 0.000 1.251 697 I HN 0.739 nan 8.210 nan 0.000 0.426 698 Q N 6.011 125.705 119.800 -0.178 0.000 2.357 698 Q HA 0.420 4.759 4.340 -0.001 0.000 0.266 698 Q C -0.002 175.897 176.000 -0.168 0.000 1.021 698 Q CA -0.537 55.088 55.803 -0.297 0.000 0.784 698 Q CB 1.720 30.079 28.738 -0.631 0.000 1.243 698 Q HN 0.775 nan 8.270 nan 0.000 0.465 699 L N 1.976 123.120 121.223 -0.131 0.000 2.056 699 L HA -0.020 4.320 4.340 -0.001 0.000 0.207 699 L C 1.161 177.989 176.870 -0.070 0.000 1.078 699 L CA 1.283 56.072 54.840 -0.084 0.000 0.749 699 L CB -0.325 41.691 42.059 -0.072 0.000 0.901 699 L HN 0.674 nan 8.230 nan 0.000 0.433 700 T N -5.831 108.675 114.554 -0.080 0.000 2.865 700 T HA 0.227 4.577 4.350 -0.001 0.000 0.294 700 T C 0.481 175.144 174.700 -0.061 0.000 1.119 700 T CA -0.849 61.218 62.100 -0.055 0.000 1.007 700 T CB 1.753 70.597 68.868 -0.041 0.000 1.225 700 T HN 0.006 nan 8.240 nan 0.000 0.515 701 Q N 0.653 120.434 119.800 -0.032 0.000 2.152 701 Q HA -0.183 4.156 4.340 -0.001 0.000 0.206 701 Q C 1.456 177.445 176.000 -0.018 0.000 0.985 701 Q CA 2.295 58.088 55.803 -0.016 0.000 0.863 701 Q CB -0.283 28.456 28.738 0.002 0.000 0.904 701 Q HN 0.771 nan 8.270 nan 0.000 0.422 702 D N 1.145 121.532 120.400 -0.022 0.000 2.110 702 D HA -0.065 4.575 4.640 -0.001 0.000 0.202 702 D C 1.227 177.508 176.300 -0.031 0.000 0.975 702 D CA 0.759 54.749 54.000 -0.016 0.000 0.839 702 D CB -0.429 40.364 40.800 -0.013 0.000 0.996 702 D HN 0.149 nan 8.370 nan 0.000 0.464 703 S N 2.486 118.153 115.700 -0.054 0.000 2.540 703 S HA 0.033 4.502 4.470 -0.001 0.000 0.272 703 S C -2.149 172.390 174.600 -0.101 0.000 1.357 703 S CA -0.819 57.340 58.200 -0.070 0.000 1.011 703 S CB 0.137 63.286 63.200 -0.084 0.000 0.852 703 S HN 0.018 nan 8.310 nan 0.000 0.535 704 P HA 0.191 nan 4.420 nan 0.000 0.276 704 P C -0.723 176.484 177.300 -0.154 0.000 1.252 704 P CA -0.432 62.638 63.100 -0.050 0.000 0.802 704 P CB 0.308 32.010 31.700 0.003 0.000 1.035 705 H N 0.191 119.248 119.070 -0.022 0.000 2.911 705 H HA 0.173 4.729 4.556 -0.001 0.000 0.273 705 H C -0.129 175.169 175.328 -0.050 0.000 1.157 705 H CA -0.338 55.687 56.048 -0.038 0.000 1.402 705 H CB 0.074 29.815 29.762 -0.035 0.000 1.463 705 H HN 0.088 nan 8.280 nan 0.000 0.475 706 V N 7.024 126.917 119.914 -0.037 0.000 2.470 706 V HA 0.048 4.167 4.120 -0.001 0.000 0.276 706 V C -1.875 174.161 176.094 -0.097 0.000 1.040 706 V CA -1.534 60.732 62.300 -0.056 0.000 1.008 706 V CB 0.687 32.465 31.823 -0.074 0.000 0.990 706 V HN 0.558 nan 8.190 nan 0.000 0.477 707 P HA 0.119 nan 4.420 nan 0.000 0.261 707 P C -0.769 176.382 177.300 -0.248 0.000 1.203 707 P CA 0.369 63.317 63.100 -0.253 0.000 0.767 707 P CB 0.328 31.698 31.700 -0.549 0.000 0.785 708 V N 4.491 124.294 119.914 -0.185 0.000 2.509 708 V HA 0.221 4.340 4.120 -0.001 0.000 0.289 708 V C -0.514 175.487 176.094 -0.156 0.000 1.026 708 V CA -0.446 61.730 62.300 -0.207 0.000 0.872 708 V CB 1.214 32.897 31.823 -0.232 0.000 1.017 708 V HN 0.589 nan 8.190 nan 0.000 0.436 709 H N 4.743 123.658 119.070 -0.257 0.000 2.481 709 H HA 0.549 5.104 4.556 -0.001 0.000 0.333 709 H C -1.346 173.866 175.328 -0.192 0.000 1.066 709 H CA -0.638 55.304 56.048 -0.178 0.000 1.209 709 H CB 1.248 30.946 29.762 -0.107 0.000 1.445 709 H HN 0.515 nan 8.280 nan 0.000 0.488 710 F N 3.937 123.607 119.950 -0.467 0.000 2.384 710 F HA 0.299 4.826 4.527 -0.001 0.000 0.338 710 F C 0.277 175.558 175.800 -0.866 0.000 1.103 710 F CA -0.123 57.552 58.000 -0.541 0.000 1.157 710 F CB 1.177 39.986 39.000 -0.318 0.000 1.167 710 F HN 0.389 nan 8.300 nan 0.000 0.529 711 K N 3.278 123.397 120.400 -0.468 0.000 2.546 711 K HA 0.458 4.777 4.320 -0.001 0.000 0.264 711 K C -2.048 174.275 176.600 -0.461 0.000 0.937 711 K CA -0.615 55.438 56.287 -0.389 0.000 0.833 711 K CB 1.538 33.866 32.500 -0.288 0.000 1.378 711 K HN 0.447 nan 8.250 nan 0.000 0.432 712 F N 3.561 123.432 119.950 -0.130 0.000 2.458 712 F HA 0.518 5.045 4.527 -0.001 0.000 0.336 712 F C -0.432 175.324 175.800 -0.073 0.000 1.114 712 F CA -0.599 57.339 58.000 -0.104 0.000 0.987 712 F CB 1.328 40.253 39.000 -0.125 0.000 1.130 712 F HN 0.252 nan 8.300 nan 0.000 0.458 713 L N 2.454 123.720 121.223 0.072 0.000 2.250 713 L HA 0.651 4.990 4.340 -0.001 0.000 0.252 713 L C -1.208 175.658 176.870 -0.007 0.000 1.054 713 L CA -1.015 53.820 54.840 -0.009 0.000 0.856 713 L CB 2.249 44.240 42.059 -0.114 0.000 1.443 713 L HN 0.499 nan 8.230 nan 0.000 0.427 714 K N -0.600 119.753 120.400 -0.078 0.000 2.468 714 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 714 K C -1.837 174.689 176.600 -0.123 0.000 0.932 714 K CA -0.784 55.485 56.287 -0.030 0.000 0.794 714 K CB 1.781 34.299 32.500 0.029 0.000 1.241 714 K HN 0.282 nan 8.250 nan 0.000 0.428 715 Y N 0.485 120.850 120.300 0.107 0.000 2.420 715 Y HA 0.538 5.088 4.550 -0.001 0.000 0.334 715 Y C 0.930 176.891 175.900 0.102 0.000 1.094 715 Y CA -0.201 57.975 58.100 0.126 0.000 1.126 715 Y CB 2.353 40.959 38.460 0.244 0.000 1.217 715 Y HN 0.919 nan 8.280 nan 0.000 0.462 716 G N 0.590 109.537 108.800 0.245 0.000 2.938 716 G HA2 0.619 4.578 3.960 -0.001 0.000 0.258 716 G HA3 0.619 4.578 3.960 -0.001 0.000 0.258 716 G C -1.493 173.484 174.900 0.129 0.000 1.356 716 G CA -0.697 44.490 45.100 0.145 0.000 1.052 716 G HN 0.430 nan 8.290 nan 0.000 0.550 717 V N -0.061 119.896 119.914 0.072 0.000 2.769 717 V HA 0.454 4.573 4.120 -0.001 0.000 0.312 717 V C 0.017 176.114 176.094 0.006 0.000 1.061 717 V CA -0.839 61.487 62.300 0.043 0.000 0.931 717 V CB 1.896 33.743 31.823 0.041 0.000 1.010 717 V HN 0.676 nan 8.190 nan 0.000 0.433 718 R N 1.485 121.979 120.500 -0.009 0.000 2.491 718 R HA 0.170 4.510 4.340 -0.001 0.000 0.283 718 R C 1.256 177.510 176.300 -0.075 0.000 1.072 718 R CA 0.454 56.536 56.100 -0.031 0.000 1.048 718 R CB 0.597 30.889 30.300 -0.012 0.000 0.983 718 R HN 0.917 nan 8.270 nan 0.000 0.450 719 S N 1.537 117.133 115.700 -0.173 0.000 2.470 719 S HA 0.006 4.475 4.470 -0.001 0.000 0.225 719 S C 0.452 174.808 174.600 -0.407 0.000 1.006 719 S CA 0.237 58.249 58.200 -0.313 0.000 0.934 719 S CB 0.103 63.037 63.200 -0.443 0.000 0.778 719 S HN 0.548 nan 8.310 nan 0.000 0.517 720 H N 0.758 119.831 119.070 0.005 0.000 2.572 720 H HA 0.634 5.189 4.556 -0.001 0.000 0.359 720 H C 0.956 176.283 175.328 -0.001 0.000 1.134 720 H CA -0.009 56.040 56.048 0.002 0.000 1.187 720 H CB 1.199 30.962 29.762 0.001 0.000 1.597 720 H HN 0.447 nan 8.280 nan 0.000 0.524 721 G N 2.296 111.167 108.800 0.119 0.000 2.615 721 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 721 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 721 G C -0.929 173.989 174.900 0.031 0.000 1.339 721 G CA -0.651 44.486 45.100 0.061 0.000 0.884 721 G HN 0.593 nan 8.290 nan 0.000 0.559 722 D N 1.355 121.765 120.400 0.017 0.000 2.424 722 D HA 0.396 5.036 4.640 -0.001 0.000 0.244 722 D C 1.059 177.360 176.300 0.001 0.000 1.134 722 D CA 0.472 54.474 54.000 0.004 0.000 0.881 722 D CB 0.489 41.287 40.800 -0.003 0.000 1.191 722 D HN 0.502 nan 8.370 nan 0.000 0.445 723 R N 1.155 121.655 120.500 0.000 0.000 2.474 723 R HA 0.336 4.676 4.340 -0.001 0.000 0.295 723 R C 0.094 176.400 176.300 0.010 0.000 0.980 723 R CA -0.680 55.423 56.100 0.005 0.000 0.934 723 R CB 1.321 31.626 30.300 0.010 0.000 1.101 723 R HN 0.323 nan 8.270 nan 0.000 0.469 724 S N 0.376 116.092 115.700 0.027 0.000 2.568 724 S HA 0.322 4.792 4.470 -0.001 0.000 0.282 724 S C 0.416 175.044 174.600 0.045 0.000 1.338 724 S CA -0.075 58.156 58.200 0.051 0.000 1.045 724 S CB 1.271 64.535 63.200 0.106 0.000 0.873 724 S HN 0.778 nan 8.310 nan 0.000 0.516 725 G N -0.036 108.789 108.800 0.043 0.000 2.911 725 G HA2 0.592 4.551 3.960 -0.001 0.000 0.299 725 G HA3 0.592 4.551 3.960 -0.001 0.000 0.299 725 G C 0.582 175.501 174.900 0.031 0.000 1.283 725 G CA -0.119 45.009 45.100 0.047 0.000 0.805 725 G HN 0.705 nan 8.290 nan 0.000 0.548 726 A N -1.259 121.561 122.820 -0.001 0.000 1.978 726 A HA 0.050 4.369 4.320 -0.001 0.000 0.220 726 A C 1.927 179.408 177.584 -0.172 0.000 1.170 726 A CA 2.073 54.044 52.037 -0.110 0.000 0.636 726 A CB -0.651 18.209 19.000 -0.233 0.000 0.810 726 A HN 0.598 nan 8.150 nan 0.000 0.448 727 Y N -0.693 119.538 120.300 -0.115 0.000 2.266 727 Y HA 0.331 4.880 4.550 -0.001 0.000 0.294 727 Y C 0.888 176.667 175.900 -0.201 0.000 1.127 727 Y CA -0.016 57.935 58.100 -0.247 0.000 1.140 727 Y CB -0.234 37.714 38.460 -0.854 0.000 1.071 727 Y HN 0.026 nan 8.280 nan 0.000 0.525 728 L N 0.645 121.828 121.223 -0.066 0.000 2.326 728 L HA 0.198 4.537 4.340 -0.001 0.000 0.278 728 L C -0.845 176.084 176.870 0.099 0.000 1.092 728 L CA -0.269 54.544 54.840 -0.044 0.000 0.810 728 L CB 0.968 42.952 42.059 -0.124 0.000 1.153 728 L HN 0.122 nan 8.230 nan 0.000 0.439 729 F N 4.956 124.855 119.950 -0.084 0.000 2.347 729 F HA 0.470 4.997 4.527 -0.001 0.000 0.366 729 F C -0.612 175.117 175.800 -0.118 0.000 1.107 729 F CA -0.804 57.107 58.000 -0.148 0.000 1.058 729 F CB 0.668 39.513 39.000 -0.259 0.000 1.236 729 F HN 0.332 nan 8.300 nan 0.000 0.456 730 L N 8.976 130.129 121.223 -0.118 0.000 2.556 730 L HA 0.332 4.672 4.340 -0.001 0.000 0.243 730 L C -2.276 174.433 176.870 -0.269 0.000 1.331 730 L CA -1.911 52.796 54.840 -0.222 0.000 0.927 730 L CB 0.829 42.846 42.059 -0.069 0.000 1.219 730 L HN 0.420 nan 8.230 nan 0.000 0.490 731 P HA 0.007 nan 4.420 nan 0.000 0.269 731 P C -0.500 176.729 177.300 -0.117 0.000 1.215 731 P CA -0.214 62.702 63.100 -0.308 0.000 0.780 731 P CB 0.596 31.965 31.700 -0.551 0.000 0.898 732 N N 1.352 120.053 118.700 0.003 0.000 3.250 732 N HA 0.262 5.002 4.740 -0.001 0.000 0.307 732 N C 0.697 176.228 175.510 0.036 0.000 1.355 732 N CA -0.103 52.954 53.050 0.012 0.000 1.192 732 N CB -0.804 37.695 38.487 0.020 0.000 1.478 732 N HN 0.748 nan 8.380 nan 0.000 0.543 733 G N 0.867 109.682 108.800 0.025 0.000 2.710 733 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.668 733 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.668 733 G C -3.016 171.963 174.900 0.132 0.000 1.320 733 G CA -1.131 43.998 45.100 0.048 0.000 0.860 733 G HN 0.373 nan 8.290 nan 0.000 0.538 734 P HA 0.436 nan 4.420 nan 0.000 0.267 734 P C 0.527 177.800 177.300 -0.046 0.000 1.201 734 P CA 0.762 63.931 63.100 0.114 0.000 0.775 734 P CB 0.438 32.169 31.700 0.051 0.000 0.854 735 A N 2.360 124.966 122.820 -0.356 0.000 2.425 735 A HA 0.356 4.676 4.320 -0.001 0.000 0.242 735 A C 0.160 177.594 177.584 -0.250 0.000 1.077 735 A CA 0.344 52.002 52.037 -0.633 0.000 0.781 735 A CB -0.188 18.192 19.000 -1.033 0.000 1.020 735 A HN 0.474 nan 8.150 nan 0.000 0.494 736 S N 2.696 118.289 115.700 -0.179 0.000 2.475 736 S HA 0.563 5.033 4.470 -0.001 0.000 0.298 736 S C -2.671 171.892 174.600 -0.062 0.000 1.119 736 S CA -1.003 57.148 58.200 -0.082 0.000 1.085 736 S CB 1.289 64.464 63.200 -0.043 0.000 1.028 736 S HN 0.571 nan 8.310 nan 0.000 0.489 737 P HA 0.078 nan 4.420 nan 0.000 0.266 737 P C -0.701 176.607 177.300 0.014 0.000 1.195 737 P CA -0.292 62.807 63.100 -0.003 0.000 0.768 737 P CB 0.332 32.042 31.700 0.016 0.000 0.838 738 V N 3.853 123.789 119.914 0.037 0.000 2.637 738 V HA 0.017 4.136 4.120 -0.001 0.000 0.296 738 V C 0.889 177.002 176.094 0.032 0.000 1.046 738 V CA 0.071 62.393 62.300 0.036 0.000 1.066 738 V CB 0.121 31.974 31.823 0.050 0.000 0.968 738 V HN 0.475 nan 8.190 nan 0.000 0.483 739 E N 4.777 124.989 120.200 0.022 0.000 2.217 739 E HA 0.167 4.516 4.350 -0.001 0.000 0.279 739 E C 0.579 177.189 176.600 0.016 0.000 1.068 739 E CA 0.002 56.414 56.400 0.021 0.000 0.882 739 E CB 1.203 30.914 29.700 0.018 0.000 1.039 739 E HN 0.527 nan 8.360 nan 0.000 0.418 740 L N 1.894 123.131 121.223 0.023 0.000 2.446 740 L HA 0.100 4.440 4.340 -0.001 0.000 0.219 740 L C 1.385 178.262 176.870 0.013 0.000 1.116 740 L CA 0.463 55.312 54.840 0.015 0.000 0.844 740 L CB -0.499 41.580 42.059 0.033 0.000 0.970 740 L HN 0.742 nan 8.230 nan 0.000 0.457 741 G N 0.932 109.743 108.800 0.018 0.000 2.564 741 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.273 741 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.273 741 G C -0.053 174.861 174.900 0.024 0.000 1.242 741 G CA -0.182 44.929 45.100 0.018 0.000 0.951 741 G HN 0.389 nan 8.290 nan 0.000 0.564 742 Q N 1.594 121.408 119.800 0.024 0.000 2.644 742 Q HA 0.350 4.689 4.340 -0.001 0.000 0.245 742 Q C -2.089 173.932 176.000 0.036 0.000 1.064 742 Q CA -1.454 54.368 55.803 0.031 0.000 0.860 742 Q CB 1.783 30.539 28.738 0.029 0.000 1.145 742 Q HN 0.602 nan 8.270 nan 0.000 0.515 743 P HA 0.030 nan 4.420 nan 0.000 0.269 743 P C -0.203 177.143 177.300 0.076 0.000 1.215 743 P CA -0.183 62.943 63.100 0.044 0.000 0.780 743 P CB 1.100 32.810 31.700 0.017 0.000 0.898 744 V N 2.746 122.737 119.914 0.129 0.000 2.530 744 V HA 0.116 4.236 4.120 -0.001 0.000 0.282 744 V C 0.578 176.804 176.094 0.220 0.000 1.048 744 V CA -0.182 62.223 62.300 0.176 0.000 0.997 744 V CB 1.281 33.252 31.823 0.245 0.000 0.987 744 V HN 0.284 nan 8.190 nan 0.000 0.477 745 V N 6.315 126.310 119.914 0.136 0.000 2.487 745 V HA 0.440 4.559 4.120 -0.001 0.000 0.298 745 V C -0.460 175.647 176.094 0.022 0.000 1.028 745 V CA -0.614 61.745 62.300 0.099 0.000 0.860 745 V CB 1.683 33.525 31.823 0.032 0.000 0.991 745 V HN 0.665 nan 8.190 nan 0.000 0.427 746 L N 6.887 128.125 121.223 0.024 0.000 2.287 746 L HA 0.710 5.049 4.340 -0.001 0.000 0.287 746 L C -0.555 176.197 176.870 -0.196 0.000 1.022 746 L CA 0.058 54.783 54.840 -0.192 0.000 0.814 746 L CB 1.671 43.510 42.059 -0.366 0.000 1.217 746 L HN 0.441 nan 8.230 nan 0.000 0.420 747 V N 4.256 124.042 119.914 -0.212 0.000 2.384 747 V HA 0.540 4.660 4.120 -0.001 0.000 0.287 747 V C 0.025 176.046 176.094 -0.122 0.000 1.020 747 V CA -0.401 61.799 62.300 -0.167 0.000 0.850 747 V CB 1.535 33.279 31.823 -0.132 0.000 0.987 747 V HN 0.845 nan 8.190 nan 0.000 0.436 748 T N 5.299 119.811 114.554 -0.070 0.000 2.792 748 T HA 0.461 4.810 4.350 -0.001 0.000 0.280 748 T C -0.421 174.306 174.700 0.045 0.000 0.990 748 T CA -0.591 61.525 62.100 0.026 0.000 0.960 748 T CB 1.244 70.169 68.868 0.095 0.000 0.939 748 T HN 0.657 nan 8.240 nan 0.000 0.439 749 K N 2.246 122.691 120.400 0.074 0.000 2.450 749 K HA 0.684 5.004 4.320 -0.001 0.000 0.257 749 K C -0.329 176.331 176.600 0.100 0.000 0.953 749 K CA -0.564 55.768 56.287 0.075 0.000 0.844 749 K CB 0.983 33.520 32.500 0.062 0.000 1.103 749 K HN 0.787 nan 8.250 nan 0.000 0.429 750 G N 2.111 110.966 108.800 0.092 0.000 2.680 750 G HA2 0.179 4.138 3.960 -0.001 0.000 0.290 750 G HA3 0.179 4.138 3.960 -0.001 0.000 0.290 750 G C -0.330 174.615 174.900 0.076 0.000 1.355 750 G CA -0.632 44.524 45.100 0.094 0.000 0.903 750 G HN 0.641 nan 8.290 nan 0.000 0.474 751 K N -0.357 120.083 120.400 0.067 0.000 2.155 751 K HA 0.141 4.461 4.320 -0.001 0.000 0.203 751 K C 1.648 178.284 176.600 0.060 0.000 1.052 751 K CA 0.910 57.233 56.287 0.059 0.000 0.948 751 K CB -0.129 32.402 32.500 0.051 0.000 0.728 751 K HN 0.436 nan 8.250 nan 0.000 0.448 752 L N -0.640 120.621 121.223 0.062 0.000 2.425 752 L HA 0.221 4.560 4.340 -0.001 0.000 0.215 752 L C 0.576 177.482 176.870 0.060 0.000 1.065 752 L CA 0.052 54.928 54.840 0.061 0.000 0.842 752 L CB 0.413 42.512 42.059 0.066 0.000 1.033 752 L HN 0.129 nan 8.230 nan 0.000 0.474 753 E N -0.237 120.003 120.200 0.068 0.000 2.304 753 E HA 0.417 4.766 4.350 -0.001 0.000 0.277 753 E C -1.461 175.185 176.600 0.077 0.000 0.898 753 E CA -0.208 56.234 56.400 0.069 0.000 0.764 753 E CB 2.138 31.878 29.700 0.066 0.000 1.216 753 E HN -0.110 nan 8.360 nan 0.000 0.419 754 S N 1.174 116.917 115.700 0.072 0.000 2.671 754 S HA 0.818 5.287 4.470 -0.001 0.000 0.299 754 S C -1.260 173.368 174.600 0.047 0.000 1.116 754 S CA -0.617 57.622 58.200 0.064 0.000 0.912 754 S CB 1.790 65.029 63.200 0.065 0.000 1.130 754 S HN 0.652 nan 8.310 nan 0.000 0.501 755 S N -0.417 115.286 115.700 0.005 0.000 2.595 755 S HA 0.689 5.159 4.470 -0.001 0.000 0.270 755 S C -1.929 172.580 174.600 -0.152 0.000 1.145 755 S CA -0.743 57.433 58.200 -0.040 0.000 0.825 755 S CB 0.882 64.081 63.200 -0.002 0.000 1.107 755 S HN 0.496 nan 8.310 nan 0.000 0.461 756 V N 1.791 121.555 119.914 -0.251 0.000 2.483 756 V HA 0.749 4.868 4.120 -0.001 0.000 0.297 756 V C -0.567 175.387 176.094 -0.233 0.000 1.027 756 V CA -0.406 61.671 62.300 -0.372 0.000 0.855 756 V CB 1.644 32.922 31.823 -0.907 0.000 0.995 756 V HN 0.987 nan 8.190 nan 0.000 0.424 757 S N 3.243 118.865 115.700 -0.130 0.000 2.500 757 S HA 0.793 5.263 4.470 -0.001 0.000 0.301 757 S C -0.820 173.718 174.600 -0.102 0.000 1.092 757 S CA -0.639 57.496 58.200 -0.107 0.000 1.030 757 S CB 2.156 65.406 63.200 0.083 0.000 1.031 757 S HN 0.678 nan 8.310 nan 0.000 0.483 758 V N 2.057 121.783 119.914 -0.314 0.000 2.760 758 V HA 0.824 4.944 4.120 -0.001 0.000 0.309 758 V C -0.065 175.653 176.094 -0.627 0.000 1.077 758 V CA -0.427 61.698 62.300 -0.293 0.000 0.910 758 V CB 1.814 33.600 31.823 -0.062 0.000 1.008 758 V HN 0.995 nan 8.190 nan 0.000 0.424 759 G N 6.941 115.399 108.800 -0.570 0.000 2.546 759 G HA2 0.545 4.504 3.960 -0.001 0.000 0.320 759 G HA3 0.545 4.504 3.960 -0.001 0.000 0.320 759 G C -0.604 174.155 174.900 -0.235 0.000 0.984 759 G CA -0.339 44.469 45.100 -0.487 0.000 1.183 759 G HN 0.709 nan 8.290 nan 0.000 0.443 760 L N 2.775 123.825 121.223 -0.289 0.000 2.387 760 L HA 0.428 4.768 4.340 -0.001 0.000 0.266 760 L C -2.081 174.664 176.870 -0.209 0.000 1.059 760 L CA -2.385 52.316 54.840 -0.231 0.000 0.801 760 L CB 1.960 43.821 42.059 -0.330 0.000 1.223 760 L HN 0.206 nan 8.230 nan 0.000 0.456 761 P HA 0.098 nan 4.420 nan 0.000 0.267 761 P C 0.052 177.274 177.300 -0.129 0.000 1.209 761 P CA 0.365 63.402 63.100 -0.105 0.000 0.763 761 P CB 1.022 32.689 31.700 -0.055 0.000 0.816 762 S N -0.358 115.286 115.700 -0.093 0.000 2.769 762 S HA -0.118 4.351 4.470 -0.001 0.000 0.264 762 S C 0.201 174.707 174.600 -0.156 0.000 1.288 762 S CA 1.342 59.490 58.200 -0.086 0.000 1.378 762 S CB -1.503 61.666 63.200 -0.053 0.000 1.702 762 S HN 0.402 nan 8.310 nan 0.000 0.656 763 V N 1.069 120.827 119.914 -0.260 0.000 2.711 763 V HA 0.466 4.586 4.120 -0.001 0.000 0.304 763 V C -0.329 175.529 176.094 -0.394 0.000 1.097 763 V CA -0.809 61.286 62.300 -0.343 0.000 0.906 763 V CB 2.152 33.618 31.823 -0.595 0.000 1.015 763 V HN 0.077 nan 8.190 nan 0.000 0.427 764 V N 3.928 123.616 119.914 -0.376 0.000 2.348 764 V HA 0.337 4.457 4.120 -0.001 0.000 0.270 764 V C -0.206 175.661 176.094 -0.379 0.000 1.037 764 V CA -0.404 61.561 62.300 -0.557 0.000 0.872 764 V CB 0.888 32.266 31.823 -0.742 0.000 1.002 764 V HN 0.931 nan 8.190 nan 0.000 0.464 765 H N 4.509 123.310 119.070 -0.448 0.000 2.517 765 H HA 0.573 5.128 4.556 -0.001 0.000 0.317 765 H C -0.334 174.870 175.328 -0.207 0.000 1.080 765 H CA -0.058 55.830 56.048 -0.266 0.000 1.301 765 H CB 1.068 30.701 29.762 -0.214 0.000 1.425 765 H HN 0.690 nan 8.280 nan 0.000 0.471 766 Q N 3.821 123.309 119.800 -0.520 0.000 2.323 766 Q HA 0.397 4.737 4.340 -0.001 0.000 0.271 766 Q C -1.347 174.446 176.000 -0.344 0.000 1.048 766 Q CA -0.910 54.673 55.803 -0.366 0.000 0.792 766 Q CB 1.596 30.231 28.738 -0.172 0.000 1.280 766 Q HN 0.743 nan 8.270 nan 0.000 0.441 767 T N 4.905 119.342 114.554 -0.195 0.000 2.791 767 T HA 0.513 4.862 4.350 -0.001 0.000 0.288 767 T C -0.394 174.335 174.700 0.048 0.000 0.999 767 T CA -0.337 61.770 62.100 0.011 0.000 0.952 767 T CB 0.223 69.268 68.868 0.295 0.000 0.938 767 T HN 0.462 nan 8.240 nan 0.000 0.444 768 I N 3.827 124.438 120.570 0.069 0.000 2.377 768 I HA 0.488 4.657 4.170 -0.001 0.000 0.293 768 I C -0.133 176.040 176.117 0.093 0.000 0.987 768 I CA -0.764 60.576 61.300 0.067 0.000 1.185 768 I CB 1.593 39.624 38.000 0.050 0.000 1.341 768 I HN 0.386 nan 8.210 nan 0.000 0.455 769 M N 5.988 125.643 119.600 0.092 0.000 2.311 769 M HA 0.494 4.973 4.480 -0.001 0.000 0.325 769 M C 0.269 176.613 176.300 0.073 0.000 1.061 769 M CA -0.334 55.023 55.300 0.094 0.000 0.957 769 M CB 2.207 34.878 32.600 0.119 0.000 1.646 769 M HN 0.486 nan 8.290 nan 0.000 0.434 770 R N 1.084 121.621 120.500 0.062 0.000 2.549 770 R HA 0.348 4.688 4.340 -0.001 0.000 0.344 770 R C 0.783 177.112 176.300 0.048 0.000 0.979 770 R CA 0.302 56.432 56.100 0.051 0.000 1.140 770 R CB 1.216 31.540 30.300 0.039 0.000 1.377 770 R HN 1.151 nan 8.270 nan 0.000 0.541 771 G N -0.250 108.581 108.800 0.050 0.000 2.284 771 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.201 771 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.201 771 G C 0.292 175.212 174.900 0.035 0.000 0.998 771 G CA -0.368 44.757 45.100 0.043 0.000 0.651 771 G HN 0.509 nan 8.290 nan 0.000 0.489 772 G N -0.006 108.816 108.800 0.036 0.000 3.252 772 G HA2 0.791 4.750 3.960 -0.001 0.000 0.181 772 G HA3 0.791 4.750 3.960 -0.001 0.000 0.181 772 G C 0.410 175.329 174.900 0.033 0.000 1.187 772 G CA 0.456 45.573 45.100 0.027 0.000 0.886 772 G HN 1.510 nan 8.290 nan 0.000 0.615 773 A N 1.445 124.282 122.820 0.028 0.000 2.540 773 A HA 0.520 4.839 4.320 -0.001 0.000 0.239 773 A C -1.732 175.889 177.584 0.061 0.000 1.061 773 A CA -0.461 51.598 52.037 0.036 0.000 0.758 773 A CB -0.418 18.600 19.000 0.031 0.000 0.991 773 A HN 0.400 nan 8.150 nan 0.000 0.502 774 P HA 0.132 nan 4.420 nan 0.000 0.272 774 P C -0.503 176.872 177.300 0.125 0.000 1.230 774 P CA -0.184 62.983 63.100 0.112 0.000 0.788 774 P CB 0.730 32.520 31.700 0.149 0.000 0.949 775 E N 1.595 121.866 120.200 0.117 0.000 2.191 775 E HA 0.392 4.742 4.350 -0.001 0.000 0.278 775 E C -0.802 175.881 176.600 0.138 0.000 0.972 775 E CA -0.721 55.752 56.400 0.123 0.000 0.804 775 E CB 0.625 30.373 29.700 0.081 0.000 1.110 775 E HN 0.230 nan 8.360 nan 0.000 0.394 776 I N 3.982 124.671 120.570 0.198 0.000 2.474 776 I HA 0.434 4.603 4.170 -0.001 0.000 0.294 776 I C -0.060 176.191 176.117 0.223 0.000 1.005 776 I CA -0.660 60.738 61.300 0.163 0.000 1.113 776 I CB 1.422 39.535 38.000 0.187 0.000 1.289 776 I HN 0.586 nan 8.210 nan 0.000 0.436 777 R N 4.379 124.936 120.500 0.094 0.000 2.575 777 R HA 0.498 4.838 4.340 -0.001 0.000 0.293 777 R C -1.029 175.325 176.300 0.090 0.000 0.983 777 R CA -0.881 55.288 56.100 0.116 0.000 0.887 777 R CB 2.197 32.519 30.300 0.036 0.000 1.184 777 R HN 0.459 nan 8.270 nan 0.000 0.445 778 N N 2.506 121.317 118.700 0.186 0.000 2.442 778 N HA 0.194 4.934 4.740 -0.001 0.000 0.274 778 N C -1.314 174.205 175.510 0.015 0.000 1.002 778 N CA -0.693 52.438 53.050 0.135 0.000 0.910 778 N CB 1.872 40.547 38.487 0.312 0.000 1.244 778 N HN 0.327 nan 8.380 nan 0.000 0.492 779 L N 3.884 125.057 121.223 -0.085 0.000 2.282 779 L HA 0.372 4.711 4.340 -0.001 0.000 0.287 779 L C -0.994 175.803 176.870 -0.122 0.000 1.075 779 L CA -0.492 54.280 54.840 -0.113 0.000 0.839 779 L CB 0.365 42.343 42.059 -0.135 0.000 1.219 779 L HN 0.206 nan 8.230 nan 0.000 0.434 780 V N 4.638 124.483 119.914 -0.114 0.000 2.364 780 V HA 0.359 4.478 4.120 -0.001 0.000 0.272 780 V C -0.346 175.713 176.094 -0.059 0.000 1.036 780 V CA -0.443 61.807 62.300 -0.082 0.000 0.880 780 V CB 1.162 32.956 31.823 -0.048 0.000 0.991 780 V HN 0.690 nan 8.190 nan 0.000 0.460 781 D N 4.120 124.492 120.400 -0.046 0.000 2.375 781 D HA 0.251 4.890 4.640 -0.001 0.000 0.259 781 D C 0.538 176.837 176.300 -0.002 0.000 1.235 781 D CA -0.418 53.570 54.000 -0.020 0.000 0.924 781 D CB 1.286 42.075 40.800 -0.019 0.000 1.143 781 D HN 0.464 nan 8.370 nan 0.000 0.529 782 I N 2.323 122.903 120.570 0.017 0.000 3.241 782 I HA 0.031 4.201 4.170 -0.001 0.000 0.280 782 I C 1.464 177.599 176.117 0.030 0.000 1.320 782 I CA 1.025 62.344 61.300 0.031 0.000 1.413 782 I CB -0.266 37.766 38.000 0.053 0.000 1.060 782 I HN 0.608 nan 8.210 nan 0.000 0.500 783 G N 0.997 109.810 108.800 0.023 0.000 2.672 783 G HA2 -0.482 3.477 3.960 -0.001 0.000 0.324 783 G HA3 -0.482 3.477 3.960 -0.001 0.000 0.324 783 G C 0.667 175.580 174.900 0.021 0.000 1.286 783 G CA 0.692 45.804 45.100 0.020 0.000 1.004 783 G HN 0.701 nan 8.290 nan 0.000 0.548 784 S N -0.619 115.093 115.700 0.020 0.000 2.574 784 S HA 0.511 4.980 4.470 -0.001 0.000 0.242 784 S C 0.556 175.171 174.600 0.027 0.000 0.982 784 S CA -0.007 58.205 58.200 0.020 0.000 0.977 784 S CB 0.579 63.786 63.200 0.012 0.000 0.814 784 S HN 0.644 nan 8.310 nan 0.000 0.464 785 L N 3.697 124.939 121.223 0.033 0.000 2.505 785 L HA 0.334 4.673 4.340 -0.001 0.000 0.275 785 L C -0.284 176.611 176.870 0.041 0.000 1.264 785 L CA 0.164 55.026 54.840 0.037 0.000 1.148 785 L CB -1.388 40.696 42.059 0.041 0.000 1.377 785 L HN 0.227 nan 8.230 nan 0.000 0.442 786 D N 2.708 123.130 120.400 0.036 0.000 2.423 786 D HA 0.030 4.669 4.640 -0.001 0.000 0.238 786 D C 0.818 177.144 176.300 0.045 0.000 1.142 786 D CA 0.283 54.306 54.000 0.038 0.000 0.884 786 D CB 0.291 41.109 40.800 0.030 0.000 1.199 786 D HN 0.293 nan 8.370 nan 0.000 0.438 787 N N 0.483 119.213 118.700 0.050 0.000 2.725 787 N HA -0.175 4.564 4.740 -0.001 0.000 0.251 787 N C -0.946 174.610 175.510 0.078 0.000 1.031 787 N CA 0.876 53.962 53.050 0.059 0.000 0.720 787 N CB -1.133 37.380 38.487 0.044 0.000 0.930 787 N HN 0.300 nan 8.380 nan 0.000 0.543 788 T N 0.340 114.945 114.554 0.085 0.000 2.893 788 T HA 0.459 4.808 4.350 -0.001 0.000 0.293 788 T C -0.192 174.582 174.700 0.122 0.000 1.027 788 T CA -0.717 61.445 62.100 0.103 0.000 0.988 788 T CB 2.391 71.307 68.868 0.080 0.000 1.043 788 T HN 0.015 nan 8.240 nan 0.000 0.461 789 E N 2.272 122.574 120.200 0.170 0.000 2.218 789 E HA 0.422 4.771 4.350 -0.001 0.000 0.263 789 E C -0.761 175.963 176.600 0.207 0.000 0.879 789 E CA -0.591 55.911 56.400 0.170 0.000 0.762 789 E CB 2.266 32.055 29.700 0.149 0.000 1.166 789 E HN 0.495 nan 8.360 nan 0.000 0.415 790 I N 2.911 123.586 120.570 0.175 0.000 2.342 790 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 790 I C -0.183 176.072 176.117 0.231 0.000 1.010 790 I CA -0.731 60.683 61.300 0.190 0.000 1.308 790 I CB 1.315 39.416 38.000 0.168 0.000 1.400 790 I HN 0.194 nan 8.210 nan 0.000 0.488 791 V N 8.134 128.182 119.914 0.224 0.000 2.715 791 V HA 0.525 4.645 4.120 -0.001 0.000 0.310 791 V C -0.550 175.581 176.094 0.061 0.000 1.054 791 V CA -0.727 61.692 62.300 0.198 0.000 0.928 791 V CB 2.082 34.075 31.823 0.284 0.000 1.007 791 V HN 0.760 nan 8.190 nan 0.000 0.437 792 M N 7.058 126.621 119.600 -0.062 0.000 2.205 792 M HA 0.601 5.080 4.480 -0.001 0.000 0.344 792 M C -0.696 175.450 176.300 -0.258 0.000 1.085 792 M CA -0.494 54.537 55.300 -0.449 0.000 1.001 792 M CB 0.840 33.149 32.600 -0.486 0.000 1.626 792 M HN 0.775 nan 8.290 nan 0.000 0.442 793 R N 4.594 124.919 120.500 -0.292 0.000 2.740 793 R HA 0.718 5.057 4.340 -0.001 0.000 0.282 793 R C -2.054 174.142 176.300 -0.174 0.000 0.969 793 R CA -0.638 55.362 56.100 -0.166 0.000 0.918 793 R CB 1.650 31.871 30.300 -0.131 0.000 1.175 793 R HN 0.820 nan 8.270 nan 0.000 0.464 794 L N 3.095 124.207 121.223 -0.185 0.000 2.322 794 L HA 0.439 4.779 4.340 -0.001 0.000 0.281 794 L C -0.575 176.180 176.870 -0.191 0.000 1.014 794 L CA -0.450 54.216 54.840 -0.291 0.000 0.815 794 L CB 2.005 43.850 42.059 -0.355 0.000 1.247 794 L HN 0.616 nan 8.230 nan 0.000 0.421 795 E N 2.109 122.207 120.200 -0.171 0.000 2.176 795 E HA 0.517 4.866 4.350 -0.001 0.000 0.267 795 E C -0.652 175.884 176.600 -0.106 0.000 0.893 795 E CA -0.491 55.859 56.400 -0.084 0.000 0.761 795 E CB 2.147 31.843 29.700 -0.008 0.000 1.133 795 E HN 0.623 nan 8.360 nan 0.000 0.409 796 T N -1.271 113.232 114.554 -0.084 0.000 2.804 796 T HA 0.327 4.677 4.350 -0.001 0.000 0.290 796 T C 0.195 174.897 174.700 0.003 0.000 1.099 796 T CA -0.687 61.336 62.100 -0.127 0.000 1.011 796 T CB 1.045 69.855 68.868 -0.096 0.000 1.291 796 T HN 0.577 nan 8.240 nan 0.000 0.523 797 H N -0.798 118.261 119.070 -0.018 0.000 2.549 797 H HA 0.417 4.972 4.556 -0.001 0.000 0.279 797 H C 0.231 175.558 175.328 -0.002 0.000 1.018 797 H CA -0.579 55.464 56.048 -0.008 0.000 1.175 797 H CB 0.107 29.864 29.762 -0.008 0.000 1.485 797 H HN 0.329 nan 8.280 nan 0.000 0.543 798 I N 1.971 122.599 120.570 0.096 0.000 2.752 798 I HA -0.147 4.022 4.170 -0.001 0.000 0.289 798 I C 0.504 176.663 176.117 0.070 0.000 1.197 798 I CA 0.432 61.772 61.300 0.067 0.000 1.432 798 I CB 0.361 38.390 38.000 0.048 0.000 1.359 798 I HN 0.193 nan 8.210 nan 0.000 0.571 799 D N 4.749 125.186 120.400 0.063 0.000 2.713 799 D HA 0.046 4.686 4.640 -0.001 0.000 0.229 799 D C 1.207 177.546 176.300 0.066 0.000 1.136 799 D CA -0.064 53.969 54.000 0.055 0.000 1.010 799 D CB 0.349 41.175 40.800 0.043 0.000 1.084 799 D HN 0.545 nan 8.370 nan 0.000 0.495 800 S N 0.241 115.986 115.700 0.076 0.000 2.496 800 S HA 0.242 4.712 4.470 -0.001 0.000 0.224 800 S C 1.634 176.286 174.600 0.087 0.000 0.996 800 S CA 0.257 58.516 58.200 0.098 0.000 0.927 800 S CB -0.161 63.110 63.200 0.119 0.000 0.774 800 S HN 0.520 nan 8.310 nan 0.000 0.524 801 G N 3.283 112.122 108.800 0.066 0.000 2.574 801 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.301 801 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.301 801 G C 0.199 175.140 174.900 0.069 0.000 1.166 801 G CA 0.641 45.776 45.100 0.058 0.000 0.971 801 G HN 0.763 nan 8.290 nan 0.000 0.542 802 D N 0.225 120.670 120.400 0.075 0.000 2.402 802 D HA 0.337 4.976 4.640 -0.001 0.000 0.216 802 D C 0.706 177.093 176.300 0.144 0.000 1.128 802 D CA -0.221 53.840 54.000 0.103 0.000 0.833 802 D CB 0.236 41.082 40.800 0.077 0.000 0.971 802 D HN 0.438 nan 8.370 nan 0.000 0.503 803 I N 1.515 122.155 120.570 0.116 0.000 2.437 803 I HA 0.490 4.660 4.170 -0.001 0.000 0.298 803 I C -0.075 176.143 176.117 0.169 0.000 0.984 803 I CA -1.092 60.234 61.300 0.042 0.000 1.214 803 I CB 0.583 38.572 38.000 -0.019 0.000 1.365 803 I HN 0.016 nan 8.210 nan 0.000 0.469 804 F N 4.279 124.062 119.950 -0.278 0.000 2.711 804 F HA 0.672 5.199 4.527 -0.001 0.000 0.313 804 F C -2.084 173.383 175.800 -0.555 0.000 1.141 804 F CA -1.175 56.684 58.000 -0.234 0.000 0.941 804 F CB 1.530 40.460 39.000 -0.116 0.000 1.349 804 F HN 0.169 nan 8.300 nan 0.000 0.464 805 Y N 0.296 120.353 120.300 -0.405 0.000 2.425 805 Y HA 0.682 5.231 4.550 -0.001 0.000 0.344 805 Y C 0.006 175.731 175.900 -0.293 0.000 0.969 805 Y CA -0.760 56.974 58.100 -0.610 0.000 1.052 805 Y CB 2.422 40.112 38.460 -1.284 0.000 1.215 805 Y HN 0.861 nan 8.280 nan 0.000 0.451 806 T N -1.329 113.158 114.554 -0.112 0.000 2.906 806 T HA 0.500 4.850 4.350 -0.001 0.000 0.295 806 T C -1.066 173.477 174.700 -0.262 0.000 1.075 806 T CA -1.070 60.991 62.100 -0.066 0.000 1.005 806 T CB 2.054 70.847 68.868 -0.125 0.000 1.136 806 T HN 0.574 nan 8.240 nan 0.000 0.498 807 D N 1.098 121.188 120.400 -0.517 0.000 2.332 807 D HA 0.386 5.025 4.640 -0.001 0.000 0.252 807 D C -0.625 175.409 176.300 -0.443 0.000 1.050 807 D CA -0.838 52.646 54.000 -0.860 0.000 0.970 807 D CB 1.282 41.303 40.800 -1.298 0.000 1.141 807 D HN 0.556 nan 8.370 nan 0.000 0.485 808 L N 0.932 121.937 121.223 -0.363 0.000 2.316 808 L HA 0.228 4.567 4.340 -0.001 0.000 0.280 808 L C -0.125 176.628 176.870 -0.195 0.000 1.006 808 L CA -0.800 53.920 54.840 -0.200 0.000 0.836 808 L CB 0.465 42.470 42.059 -0.091 0.000 1.221 808 L HN 0.444 nan 8.230 nan 0.000 0.418 809 N N 2.079 120.670 118.700 -0.182 0.000 2.708 809 N HA -0.228 4.512 4.740 -0.001 0.000 0.249 809 N C 0.977 176.279 175.510 -0.347 0.000 1.097 809 N CA 0.876 53.814 53.050 -0.187 0.000 0.710 809 N CB -1.089 37.368 38.487 -0.050 0.000 1.032 809 N HN 1.080 nan 8.380 nan 0.000 0.551 810 G N -1.479 107.115 108.800 -0.343 0.000 2.187 810 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.261 810 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.261 810 G C 0.629 175.509 174.900 -0.033 0.000 1.000 810 G CA 0.749 45.676 45.100 -0.289 0.000 0.718 810 G HN 0.520 nan 8.290 nan 0.000 0.519 811 L N -0.706 120.442 121.223 -0.125 0.000 2.467 811 L HA 0.496 4.836 4.340 -0.001 0.000 0.213 811 L C 0.968 177.723 176.870 -0.193 0.000 1.053 811 L CA 1.866 56.553 54.840 -0.256 0.000 0.847 811 L CB 0.153 41.912 42.059 -0.499 0.000 1.075 811 L HN 0.692 nan 8.230 nan 0.000 0.479 812 Q N -1.735 117.953 119.800 -0.187 0.000 2.482 812 Q HA 0.358 4.698 4.340 -0.001 0.000 0.286 812 Q C -1.696 174.182 176.000 -0.202 0.000 1.007 812 Q CA -0.764 54.993 55.803 -0.076 0.000 0.801 812 Q CB 1.174 29.934 28.738 0.036 0.000 1.455 812 Q HN -0.029 nan 8.270 nan 0.000 0.398 813 F N 1.186 121.097 119.950 -0.065 0.000 2.436 813 F HA 0.600 5.126 4.527 -0.001 0.000 0.340 813 F C -0.201 175.564 175.800 -0.058 0.000 1.113 813 F CA -0.825 57.147 58.000 -0.047 0.000 1.022 813 F CB 1.710 40.726 39.000 0.027 0.000 1.128 813 F HN 0.524 nan 8.300 nan 0.000 0.466 814 I N 3.773 124.347 120.570 0.008 0.000 2.530 814 I HA 0.340 4.510 4.170 -0.001 0.000 0.297 814 I C -0.523 175.445 176.117 -0.248 0.000 1.011 814 I CA -0.876 60.375 61.300 -0.081 0.000 1.107 814 I CB 1.321 39.224 38.000 -0.160 0.000 1.285 814 I HN 0.503 nan 8.210 nan 0.000 0.436 815 K N 6.716 126.916 120.400 -0.334 0.000 2.368 815 K HA 0.284 4.603 4.320 -0.001 0.000 0.282 815 K C -0.856 175.278 176.600 -0.777 0.000 1.035 815 K CA -0.394 55.406 56.287 -0.812 0.000 0.973 815 K CB 0.530 32.684 32.500 -0.576 0.000 0.957 815 K HN 0.506 nan 8.250 nan 0.000 0.474 816 R N 3.163 123.028 120.500 -1.059 0.000 2.664 816 R HA 0.360 4.700 4.340 -0.001 0.000 0.286 816 R C -0.548 175.260 176.300 -0.820 0.000 0.967 816 R CA -0.801 54.616 56.100 -1.138 0.000 0.933 816 R CB 1.570 30.640 30.300 -2.051 0.000 1.146 816 R HN 0.671 nan 8.270 nan 0.000 0.468 817 R N 1.514 121.750 120.500 -0.440 0.000 2.451 817 R HA 0.279 4.618 4.340 -0.001 0.000 0.307 817 R C -0.524 175.828 176.300 0.087 0.000 0.965 817 R CA -0.647 55.371 56.100 -0.135 0.000 0.865 817 R CB 1.447 31.702 30.300 -0.074 0.000 1.174 817 R HN 0.535 nan 8.270 nan 0.000 0.455 818 R N 4.944 125.608 120.500 0.273 0.000 2.484 818 R HA 0.087 4.426 4.340 -0.001 0.000 0.293 818 R C -0.924 175.464 176.300 0.146 0.000 1.023 818 R CA 0.321 56.606 56.100 0.309 0.000 1.037 818 R CB 0.371 30.823 30.300 0.253 0.000 0.951 818 R HN 0.542 nan 8.270 nan 0.000 0.418 819 L N 5.174 126.459 121.223 0.104 0.000 2.316 819 L HA 0.212 4.552 4.340 -0.001 0.000 0.280 819 L C 0.260 177.121 176.870 -0.016 0.000 1.006 819 L CA -0.693 54.161 54.840 0.023 0.000 0.836 819 L CB 1.935 43.973 42.059 -0.035 0.000 1.221 819 L HN 0.655 nan 8.230 nan 0.000 0.418 820 D N 1.676 122.074 120.400 -0.004 0.000 2.348 820 D HA -0.124 4.516 4.640 -0.001 0.000 0.216 820 D C 1.680 177.959 176.300 -0.034 0.000 0.970 820 D CA 0.839 54.831 54.000 -0.013 0.000 0.889 820 D CB 0.336 41.139 40.800 0.004 0.000 0.912 820 D HN 0.563 nan 8.370 nan 0.000 0.524 821 K N 0.252 120.622 120.400 -0.049 0.000 2.486 821 K HA 0.023 4.342 4.320 -0.001 0.000 0.194 821 K C 0.666 177.203 176.600 -0.104 0.000 1.033 821 K CA 0.331 56.587 56.287 -0.052 0.000 1.004 821 K CB 0.312 32.792 32.500 -0.032 0.000 0.798 821 K HN 0.102 nan 8.250 nan 0.000 0.495 822 L N 2.299 123.425 121.223 -0.163 0.000 2.330 822 L HA 0.466 4.805 4.340 -0.001 0.000 0.271 822 L C -2.230 174.534 176.870 -0.177 0.000 1.013 822 L CA -2.916 51.790 54.840 -0.223 0.000 0.816 822 L CB 1.499 43.327 42.059 -0.384 0.000 1.287 822 L HN -0.041 nan 8.230 nan 0.000 0.435 823 P HA 0.026 nan 4.420 nan 0.000 0.272 823 P C 0.868 178.033 177.300 -0.226 0.000 1.240 823 P CA -0.385 62.614 63.100 -0.170 0.000 0.791 823 P CB 1.336 32.963 31.700 -0.121 0.000 0.978 824 L N 1.024 122.144 121.223 -0.172 0.000 2.021 824 L HA -0.288 4.051 4.340 -0.001 0.000 0.215 824 L C 2.571 179.331 176.870 -0.184 0.000 1.074 824 L CA 1.974 56.730 54.840 -0.141 0.000 0.760 824 L CB -0.648 41.326 42.059 -0.143 0.000 0.889 824 L HN 0.443 nan 8.230 nan 0.000 0.433 825 Q N -0.386 119.196 119.800 -0.363 0.000 2.291 825 Q HA -0.183 4.157 4.340 -0.001 0.000 0.206 825 Q C 1.881 177.776 176.000 -0.175 0.000 0.976 825 Q CA 1.556 57.186 55.803 -0.288 0.000 0.875 825 Q CB -0.556 27.968 28.738 -0.357 0.000 0.927 825 Q HN 0.619 nan 8.270 nan 0.000 0.450 826 A N 1.445 123.947 122.820 -0.529 0.000 2.067 826 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 826 A C 1.636 179.044 177.584 -0.294 0.000 1.156 826 A CA 0.664 52.253 52.037 -0.746 0.000 0.683 826 A CB -0.160 17.976 19.000 -1.441 0.000 0.808 826 A HN 0.343 nan 8.150 nan 0.000 0.455 827 N N -1.120 117.512 118.700 -0.112 0.000 2.336 827 N HA 0.053 4.792 4.740 -0.001 0.000 0.189 827 N C -0.866 174.732 175.510 0.148 0.000 1.113 827 N CA 0.198 53.297 53.050 0.081 0.000 0.858 827 N CB 0.092 38.676 38.487 0.162 0.000 0.970 827 N HN 0.446 nan 8.380 nan 0.000 0.471 828 Y N 0.277 120.521 120.300 -0.093 0.000 2.304 828 Y HA 0.219 4.768 4.550 -0.001 0.000 0.328 828 Y C -0.187 175.644 175.900 -0.115 0.000 1.123 828 Y CA -0.200 57.932 58.100 0.053 0.000 1.218 828 Y CB 0.403 38.966 38.460 0.173 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.082 123.531 120.300 0.248 0.000 2.605 829 Y HA 0.447 4.996 4.550 -0.001 0.000 0.343 829 Y C -2.318 173.309 175.900 -0.454 0.000 1.036 829 Y CA -2.873 55.236 58.100 0.014 0.000 1.065 829 Y CB 1.586 40.035 38.460 -0.017 0.000 1.288 829 Y HN 0.450 nan 8.280 nan 0.000 0.481 830 P HA 0.109 nan 4.420 nan 0.000 0.271 830 P C -0.702 176.358 177.300 -0.400 0.000 1.216 830 P CA 0.267 62.766 63.100 -1.002 0.000 0.771 830 P CB 0.476 31.508 31.700 -1.114 0.000 0.864 831 I N 5.702 126.122 120.570 -0.251 0.000 2.692 831 I HA 0.159 4.329 4.170 -0.001 0.000 0.285 831 I C -1.560 174.490 176.117 -0.111 0.000 1.191 831 I CA -2.498 58.730 61.300 -0.120 0.000 1.128 831 I CB 0.703 38.688 38.000 -0.026 0.000 1.585 831 I HN 0.224 nan 8.210 nan 0.000 0.558 832 P HA -0.091 nan 4.420 nan 0.000 0.218 832 P C 0.992 178.264 177.300 -0.047 0.000 1.149 832 P CA 1.338 64.367 63.100 -0.118 0.000 0.817 832 P CB 0.585 32.185 31.700 -0.168 0.000 0.785 833 S N -3.607 112.072 115.700 -0.036 0.000 2.551 833 S HA 0.443 4.912 4.470 -0.001 0.000 0.276 833 S C 0.524 175.216 174.600 0.153 0.000 1.051 833 S CA 0.263 58.498 58.200 0.059 0.000 1.377 833 S CB 0.310 63.566 63.200 0.093 0.000 1.208 833 S HN 0.346 nan 8.310 nan 0.000 0.656 834 G N 1.596 110.493 108.800 0.161 0.000 2.547 834 G HA2 0.582 4.541 3.960 -0.001 0.000 0.291 834 G HA3 0.582 4.541 3.960 -0.001 0.000 0.291 834 G C -1.445 173.710 174.900 0.425 0.000 1.471 834 G CA -0.440 44.883 45.100 0.370 0.000 0.798 834 G HN 0.904 nan 8.290 nan 0.000 0.504 835 M N -0.467 119.405 119.600 0.453 0.000 2.534 835 M HA 0.881 5.360 4.480 -0.001 0.000 0.280 835 M C -1.840 174.703 176.300 0.404 0.000 1.217 835 M CA -1.010 54.515 55.300 0.374 0.000 0.893 835 M CB 2.522 35.251 32.600 0.215 0.000 1.730 835 M HN 1.232 nan 8.290 nan 0.000 0.483 836 F N 0.982 121.071 119.950 0.231 0.000 2.713 836 F HA 0.901 5.427 4.527 -0.001 0.000 0.311 836 F C -1.881 174.045 175.800 0.209 0.000 1.141 836 F CA -1.170 56.906 58.000 0.127 0.000 0.939 836 F CB 1.075 40.061 39.000 -0.022 0.000 1.325 836 F HN 0.794 nan 8.300 nan 0.000 0.453 837 I N -0.242 120.571 120.570 0.406 0.000 2.934 837 I HA 0.909 5.078 4.170 -0.001 0.000 0.306 837 I C -1.417 174.886 176.117 0.309 0.000 1.110 837 I CA -0.928 60.567 61.300 0.326 0.000 1.019 837 I CB 2.443 40.551 38.000 0.181 0.000 1.227 837 I HN 0.966 nan 8.210 nan 0.000 0.434 838 E N 1.754 122.114 120.200 0.266 0.000 2.416 838 E HA 0.524 4.874 4.350 -0.001 0.000 0.280 838 E C -2.121 174.560 176.600 0.135 0.000 1.055 838 E CA -0.848 55.654 56.400 0.169 0.000 0.825 838 E CB 2.106 31.898 29.700 0.152 0.000 1.312 838 E HN 0.737 nan 8.360 nan 0.000 0.452 839 D N 0.426 120.875 120.400 0.083 0.000 2.784 839 D HA 0.484 5.123 4.640 -0.001 0.000 0.256 839 D C 0.844 177.173 176.300 0.048 0.000 1.129 839 D CA -0.206 53.836 54.000 0.070 0.000 1.102 839 D CB 0.022 40.856 40.800 0.056 0.000 1.330 839 D HN 0.458 nan 8.370 nan 0.000 0.626 840 A N -0.762 122.080 122.820 0.037 0.000 2.019 840 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 840 A C 1.435 179.024 177.584 0.008 0.000 1.164 840 A CA 1.468 53.519 52.037 0.023 0.000 0.644 840 A CB -0.700 18.312 19.000 0.020 0.000 0.805 840 A HN 0.506 nan 8.150 nan 0.000 0.449 841 N N -1.703 117.001 118.700 0.006 0.000 2.460 841 N HA 0.064 4.803 4.740 -0.001 0.000 0.193 841 N C -0.335 175.165 175.510 -0.017 0.000 1.080 841 N CA 0.796 53.842 53.050 -0.007 0.000 0.869 841 N CB 0.521 39.006 38.487 -0.004 0.000 1.201 841 N HN 0.310 nan 8.380 nan 0.000 0.457 842 T N 0.656 115.205 114.554 -0.008 0.000 2.876 842 T HA 0.491 4.840 4.350 -0.001 0.000 0.289 842 T C -0.446 174.245 174.700 -0.015 0.000 1.014 842 T CA -0.659 61.429 62.100 -0.019 0.000 0.986 842 T CB 2.838 71.699 68.868 -0.012 0.000 1.021 842 T HN -0.022 nan 8.240 nan 0.000 0.458 843 R N 1.762 122.235 120.500 -0.045 0.000 2.686 843 R HA 0.720 5.059 4.340 -0.001 0.000 0.283 843 R C -1.988 174.282 176.300 -0.050 0.000 0.978 843 R CA -0.906 55.166 56.100 -0.046 0.000 0.897 843 R CB 1.252 31.459 30.300 -0.155 0.000 1.192 843 R HN 0.464 nan 8.270 nan 0.000 0.457 844 L N 2.747 123.971 121.223 0.002 0.000 2.349 844 L HA 0.512 4.852 4.340 -0.001 0.000 0.278 844 L C -1.372 175.527 176.870 0.049 0.000 0.996 844 L CA 0.096 54.930 54.840 -0.010 0.000 0.825 844 L CB 2.276 44.320 42.059 -0.025 0.000 1.243 844 L HN 0.657 nan 8.230 nan 0.000 0.412 845 T N 5.761 120.323 114.554 0.013 0.000 2.792 845 T HA 0.555 4.904 4.350 -0.001 0.000 0.280 845 T C -1.060 173.698 174.700 0.096 0.000 0.990 845 T CA -0.275 61.871 62.100 0.077 0.000 0.960 845 T CB 1.379 70.216 68.868 -0.053 0.000 0.939 845 T HN 0.455 nan 8.240 nan 0.000 0.439 846 L N 5.215 126.533 121.223 0.159 0.000 2.298 846 L HA 0.553 4.892 4.340 -0.001 0.000 0.284 846 L C -1.338 175.678 176.870 0.243 0.000 1.013 846 L CA -0.702 54.243 54.840 0.176 0.000 0.824 846 L CB 0.520 42.662 42.059 0.138 0.000 1.221 846 L HN 0.411 nan 8.230 nan 0.000 0.418 847 L N 3.974 125.345 121.223 0.248 0.000 2.322 847 L HA 0.653 4.992 4.340 -0.001 0.000 0.279 847 L C 0.498 177.523 176.870 0.258 0.000 1.036 847 L CA -0.281 54.703 54.840 0.241 0.000 0.807 847 L CB 1.492 43.658 42.059 0.178 0.000 1.226 847 L HN 0.767 nan 8.230 nan 0.000 0.433 848 T N -2.270 112.387 114.554 0.171 0.000 2.912 848 T HA 0.624 4.974 4.350 -0.001 0.000 0.288 848 T C 0.681 175.341 174.700 -0.066 0.000 1.030 848 T CA -0.283 61.824 62.100 0.011 0.000 1.020 848 T CB 1.962 70.843 68.868 0.023 0.000 1.056 848 T HN 0.677 nan 8.240 nan 0.000 0.480 849 G N 1.150 109.834 108.800 -0.193 0.000 3.284 849 G HA2 0.416 4.375 3.960 -0.001 0.000 0.236 849 G HA3 0.416 4.375 3.960 -0.001 0.000 0.236 849 G C 0.165 175.006 174.900 -0.099 0.000 1.158 849 G CA -0.316 44.712 45.100 -0.119 0.000 0.774 849 G HN 0.958 nan 8.290 nan 0.000 0.545 850 Q N -0.158 119.576 119.800 -0.110 0.000 2.479 850 Q HA 0.320 4.659 4.340 -0.001 0.000 0.276 850 Q C -3.547 172.421 176.000 -0.054 0.000 0.989 850 Q CA -2.254 53.511 55.803 -0.063 0.000 0.864 850 Q CB 1.885 30.604 28.738 -0.032 0.000 1.444 850 Q HN -0.002 nan 8.270 nan 0.000 0.388 851 P HA 0.490 nan 4.420 nan 0.000 0.280 851 P C -0.691 176.600 177.300 -0.014 0.000 1.244 851 P CA -0.195 62.891 63.100 -0.023 0.000 0.784 851 P CB 1.087 32.778 31.700 -0.015 0.000 0.913 852 L N 1.492 122.701 121.223 -0.023 0.000 2.491 852 L HA 0.652 4.992 4.340 -0.001 0.000 0.254 852 L C 0.632 177.520 176.870 0.029 0.000 1.048 852 L CA -1.106 53.742 54.840 0.014 0.000 0.855 852 L CB 2.209 44.259 42.059 -0.015 0.000 1.466 852 L HN 0.362 nan 8.230 nan 0.000 0.409 853 G N -0.942 107.929 108.800 0.118 0.000 2.425 853 G HA2 0.714 4.674 3.960 -0.001 0.000 0.302 853 G HA3 0.714 4.674 3.960 -0.001 0.000 0.302 853 G C -0.512 174.398 174.900 0.017 0.000 1.159 853 G CA 0.092 45.307 45.100 0.192 0.000 0.865 853 G HN 0.884 nan 8.290 nan 0.000 0.515 854 G N -1.503 107.116 108.800 -0.303 0.000 2.548 854 G HA2 0.696 4.656 3.960 -0.001 0.000 0.301 854 G HA3 0.696 4.656 3.960 -0.001 0.000 0.301 854 G C -1.095 173.329 174.900 -0.793 0.000 1.349 854 G CA 0.531 45.242 45.100 -0.648 0.000 0.792 854 G HN 1.388 nan 8.290 nan 0.000 0.481 855 S N -2.084 113.254 115.700 -0.604 0.000 2.669 855 S HA 0.691 5.160 4.470 -0.001 0.000 0.266 855 S C -1.680 172.505 174.600 -0.693 0.000 1.149 855 S CA 0.452 58.310 58.200 -0.569 0.000 0.842 855 S CB 1.105 64.037 63.200 -0.447 0.000 1.160 855 S HN 1.635 nan 8.310 nan 0.000 0.487 856 S N 1.514 116.556 115.700 -1.095 0.000 2.652 856 S HA 0.472 4.942 4.470 -0.001 0.000 0.252 856 S C 0.081 174.423 174.600 -0.429 0.000 1.219 856 S CA -0.612 57.156 58.200 -0.720 0.000 1.151 856 S CB -0.058 62.634 63.200 -0.845 0.000 1.080 856 S HN 0.560 nan 8.310 nan 0.000 0.481 857 L N 2.950 124.064 121.223 -0.181 0.000 2.591 857 L HA 0.498 4.837 4.340 -0.001 0.000 0.228 857 L C 0.861 177.719 176.870 -0.020 0.000 1.133 857 L CA 0.255 55.067 54.840 -0.048 0.000 0.880 857 L CB -0.050 42.041 42.059 0.054 0.000 1.033 857 L HN 0.674 nan 8.230 nan 0.000 0.450 858 A N -1.146 121.651 122.820 -0.038 0.000 2.604 858 A HA 0.466 4.785 4.320 -0.001 0.000 0.295 858 A C -0.424 177.155 177.584 -0.008 0.000 1.067 858 A CA -0.448 51.584 52.037 -0.007 0.000 0.683 858 A CB 1.237 20.240 19.000 0.005 0.000 1.281 858 A HN -0.129 nan 8.150 nan 0.000 0.407 859 S N -0.040 115.669 115.700 0.015 0.000 2.558 859 S HA 0.400 4.869 4.470 -0.001 0.000 0.291 859 S C 1.547 176.163 174.600 0.026 0.000 1.306 859 S CA 1.868 60.084 58.200 0.028 0.000 1.056 859 S CB 0.032 63.254 63.200 0.036 0.000 0.836 859 S HN 2.668 nan 8.310 nan 0.000 0.504 860 G N 3.297 112.116 108.800 0.031 0.000 2.179 860 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.260 860 G C -0.161 174.732 174.900 -0.011 0.000 0.977 860 G CA 0.543 45.659 45.100 0.027 0.000 0.641 860 G HN 0.736 nan 8.290 nan 0.000 0.533 861 E N -0.493 119.688 120.200 -0.032 0.000 2.212 861 E HA 0.789 5.138 4.350 -0.001 0.000 0.270 861 E C -0.248 176.290 176.600 -0.105 0.000 0.956 861 E CA -0.768 55.591 56.400 -0.069 0.000 0.825 861 E CB 1.872 31.533 29.700 -0.065 0.000 1.167 861 E HN 0.243 nan 8.360 nan 0.000 0.400 862 L N 1.609 122.764 121.223 -0.113 0.000 2.422 862 L HA 0.463 4.803 4.340 -0.001 0.000 0.264 862 L C -0.735 176.066 176.870 -0.116 0.000 0.984 862 L CA -0.648 54.119 54.840 -0.123 0.000 0.819 862 L CB 2.111 44.128 42.059 -0.071 0.000 1.330 862 L HN 0.685 nan 8.230 nan 0.000 0.410 863 E N 3.246 123.371 120.200 -0.126 0.000 2.366 863 E HA 0.723 5.072 4.350 -0.001 0.000 0.278 863 E C -1.617 174.934 176.600 -0.082 0.000 0.923 863 E CA -0.848 55.507 56.400 -0.076 0.000 0.761 863 E CB 3.416 33.117 29.700 0.001 0.000 1.231 863 E HN 0.546 nan 8.360 nan 0.000 0.443 864 I N 2.269 122.828 120.570 -0.018 0.000 2.610 864 I HA 0.310 4.479 4.170 -0.001 0.000 0.289 864 I C -1.456 174.724 176.117 0.105 0.000 1.163 864 I CA -1.087 60.223 61.300 0.016 0.000 1.044 864 I CB 1.938 39.952 38.000 0.022 0.000 1.251 864 I HN 0.803 nan 8.210 nan 0.000 0.424 865 M N 6.339 126.042 119.600 0.171 0.000 2.239 865 M HA 0.195 4.675 4.480 -0.001 0.000 0.348 865 M C 0.635 177.038 176.300 0.173 0.000 1.239 865 M CA 0.665 56.077 55.300 0.187 0.000 1.114 865 M CB 0.863 33.549 32.600 0.144 0.000 1.641 865 M HN 0.588 nan 8.290 nan 0.000 0.453 866 Q N 1.494 121.433 119.800 0.231 0.000 2.200 866 Q HA 0.234 4.574 4.340 -0.001 0.000 0.197 866 Q C -0.232 175.991 176.000 0.371 0.000 0.953 866 Q CA 0.900 56.910 55.803 0.344 0.000 0.851 866 Q CB 0.320 29.291 28.738 0.389 0.000 0.938 866 Q HN 0.757 nan 8.270 nan 0.000 0.488 867 D N -0.933 119.611 120.400 0.241 0.000 2.653 867 D HA 0.271 4.911 4.640 -0.001 0.000 0.258 867 D C -1.409 174.970 176.300 0.132 0.000 1.252 867 D CA -0.472 53.644 54.000 0.194 0.000 0.777 867 D CB 1.498 42.400 40.800 0.171 0.000 1.339 867 D HN 0.039 nan 8.370 nan 0.000 0.422 868 R N 0.901 121.466 120.500 0.109 0.000 2.604 868 R HA 0.704 5.043 4.340 -0.001 0.000 0.281 868 R C -0.954 175.396 176.300 0.083 0.000 1.020 868 R CA -1.061 55.087 56.100 0.080 0.000 0.899 868 R CB 2.247 32.567 30.300 0.034 0.000 1.205 868 R HN 0.311 nan 8.270 nan 0.000 0.450 869 R N 3.659 124.205 120.500 0.077 0.000 2.451 869 R HA 0.449 4.788 4.340 -0.001 0.000 0.307 869 R C -1.472 174.866 176.300 0.063 0.000 0.965 869 R CA -0.552 55.589 56.100 0.069 0.000 0.865 869 R CB 1.230 31.568 30.300 0.063 0.000 1.174 869 R HN 0.704 nan 8.270 nan 0.000 0.455 870 L N 3.883 125.142 121.223 0.059 0.000 2.356 870 L HA 0.541 4.880 4.340 -0.001 0.000 0.277 870 L C 0.820 177.717 176.870 0.045 0.000 0.996 870 L CA -0.572 54.301 54.840 0.054 0.000 0.822 870 L CB 2.130 44.222 42.059 0.056 0.000 1.256 870 L HN 0.788 nan 8.230 nan 0.000 0.413 871 A N 1.592 124.435 122.820 0.039 0.000 2.016 871 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 871 A C 1.077 178.679 177.584 0.030 0.000 1.162 871 A CA 0.963 53.019 52.037 0.031 0.000 0.662 871 A CB -0.139 18.876 19.000 0.025 0.000 0.812 871 A HN 0.703 nan 8.150 nan 0.000 0.450 872 S N -0.560 115.159 115.700 0.031 0.000 2.638 872 S HA 0.499 4.968 4.470 -0.001 0.000 0.298 872 S C -0.742 173.881 174.600 0.037 0.000 1.111 872 S CA -0.584 57.634 58.200 0.029 0.000 1.027 872 S CB 1.444 64.657 63.200 0.022 0.000 1.064 872 S HN 0.265 nan 8.310 nan 0.000 0.525 873 D N -0.291 120.132 120.400 0.038 0.000 2.304 873 D HA 0.273 4.912 4.640 -0.001 0.000 0.247 873 D C -0.126 176.200 176.300 0.043 0.000 1.089 873 D CA -0.379 53.653 54.000 0.053 0.000 0.910 873 D CB 0.793 41.624 40.800 0.052 0.000 1.199 873 D HN 0.596 nan 8.370 nan 0.000 0.426 874 D N 2.101 122.534 120.400 0.055 0.000 2.615 874 D HA 0.057 4.697 4.640 -0.001 0.000 0.236 874 D C -0.401 175.874 176.300 -0.041 0.000 1.233 874 D CA -0.313 53.689 54.000 0.003 0.000 0.829 874 D CB -0.517 40.274 40.800 -0.015 0.000 1.024 874 D HN 0.668 nan 8.370 nan 0.000 0.490 875 E N -0.098 120.101 120.200 -0.001 0.000 2.539 875 E HA -0.244 4.106 4.350 -0.001 0.000 0.253 875 E C 0.214 176.787 176.600 -0.044 0.000 1.145 875 E CA 0.200 56.596 56.400 -0.007 0.000 0.738 875 E CB -0.825 28.867 29.700 -0.013 0.000 1.308 875 E HN 0.240 nan 8.360 nan 0.000 0.409 876 R N -0.572 119.874 120.500 -0.090 0.000 2.546 876 R HA 0.207 4.546 4.340 -0.001 0.000 0.320 876 R C 1.379 177.752 176.300 0.121 0.000 1.021 876 R CA 0.608 56.569 56.100 -0.230 0.000 1.088 876 R CB 0.905 30.576 30.300 -1.048 0.000 1.278 876 R HN 0.442 nan 8.270 nan 0.000 0.557 877 G N 0.724 109.678 108.800 0.256 0.000 2.213 877 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.226 877 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.226 877 G C 0.788 175.843 174.900 0.259 0.000 0.992 877 G CA 0.253 45.596 45.100 0.405 0.000 0.632 877 G HN 0.305 nan 8.290 nan 0.000 0.511 878 L N 1.469 122.941 121.223 0.414 0.000 2.083 878 L HA 0.406 4.745 4.340 -0.001 0.000 0.209 878 L C 2.268 179.143 176.870 0.009 0.000 1.083 878 L CA 2.943 57.905 54.840 0.204 0.000 0.752 878 L CB -0.672 41.624 42.059 0.396 0.000 0.899 878 L HN 1.763 nan 8.230 nan 0.000 0.433 879 G N -0.707 108.128 108.800 0.059 0.000 2.147 879 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 879 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 879 G C 0.099 175.013 174.900 0.023 0.000 1.005 879 G CA 0.636 45.748 45.100 0.019 0.000 0.713 879 G HN 0.802 nan 8.290 nan 0.000 0.515 880 Q N -2.181 117.648 119.800 0.048 0.000 2.756 880 Q HA 0.663 5.003 4.340 -0.001 0.000 0.295 880 Q C 0.288 176.321 176.000 0.055 0.000 0.903 880 Q CA -0.589 55.239 55.803 0.042 0.000 0.768 880 Q CB 0.375 29.133 28.738 0.034 0.000 1.472 880 Q HN 1.007 nan 8.270 nan 0.000 0.416 881 G N -0.079 108.749 108.800 0.047 0.000 2.543 881 G HA2 0.555 4.515 3.960 -0.001 0.000 0.267 881 G HA3 0.555 4.515 3.960 -0.001 0.000 0.267 881 G C -1.008 173.923 174.900 0.052 0.000 1.406 881 G CA -0.717 44.413 45.100 0.049 0.000 1.048 881 G HN 0.410 nan 8.290 nan 0.000 0.548 882 V N 0.918 120.864 119.914 0.054 0.000 2.284 882 V HA 0.343 4.463 4.120 -0.001 0.000 0.274 882 V C 0.026 176.156 176.094 0.061 0.000 1.023 882 V CA -0.162 62.176 62.300 0.063 0.000 0.808 882 V CB 0.811 32.676 31.823 0.069 0.000 1.035 882 V HN 0.536 nan 8.190 nan 0.000 0.445 883 L N 3.357 124.614 121.223 0.056 0.000 3.267 883 L HA 0.337 4.677 4.340 -0.001 0.000 0.289 883 L C 0.482 177.381 176.870 0.047 0.000 1.260 883 L CA -0.020 54.849 54.840 0.048 0.000 1.034 883 L CB 0.643 42.724 42.059 0.037 0.000 1.413 883 L HN 0.651 nan 8.230 nan 0.000 0.594 884 D N -2.194 118.242 120.400 0.061 0.000 2.525 884 D HA 0.069 4.708 4.640 -0.001 0.000 0.229 884 D C 0.162 176.503 176.300 0.067 0.000 1.202 884 D CA -0.448 53.588 54.000 0.059 0.000 0.828 884 D CB -0.349 40.493 40.800 0.070 0.000 1.008 884 D HN 0.084 nan 8.370 nan 0.000 0.493 885 N N 1.628 120.367 118.700 0.065 0.000 2.374 885 N HA 0.144 4.883 4.740 -0.001 0.000 0.241 885 N C 0.177 175.698 175.510 0.017 0.000 1.262 885 N CA 0.285 53.375 53.050 0.066 0.000 0.880 885 N CB 0.637 39.162 38.487 0.063 0.000 1.105 885 N HN 0.309 nan 8.380 nan 0.000 0.438 886 K N -0.834 119.562 120.400 -0.007 0.000 2.536 886 K HA 0.545 4.865 4.320 -0.001 0.000 0.269 886 K C -3.260 173.308 176.600 -0.053 0.000 0.965 886 K CA -2.002 54.236 56.287 -0.082 0.000 0.860 886 K CB 1.195 33.558 32.500 -0.229 0.000 1.423 886 K HN 0.128 nan 8.250 nan 0.000 0.438 887 P HA -0.036 nan 4.420 nan 0.000 0.264 887 P C -1.033 176.280 177.300 0.022 0.000 1.183 887 P CA -0.419 62.659 63.100 -0.038 0.000 0.763 887 P CB 0.702 32.369 31.700 -0.055 0.000 0.807 888 V N 4.926 124.825 119.914 -0.025 0.000 2.888 888 V HA 0.489 4.608 4.120 -0.001 0.000 0.309 888 V C -1.460 174.510 176.094 -0.206 0.000 1.114 888 V CA -1.088 61.182 62.300 -0.049 0.000 0.940 888 V CB 2.167 33.952 31.823 -0.064 0.000 1.021 888 V HN 0.286 nan 8.190 nan 0.000 0.426 889 L N 6.877 128.005 121.223 -0.159 0.000 2.272 889 L HA 0.606 4.945 4.340 -0.001 0.000 0.284 889 L C -0.409 176.444 176.870 -0.027 0.000 1.045 889 L CA 0.128 54.907 54.840 -0.102 0.000 0.842 889 L CB 0.329 42.349 42.059 -0.066 0.000 1.224 889 L HN 0.712 nan 8.230 nan 0.000 0.430 890 H N 5.700 124.791 119.070 0.034 0.000 2.525 890 H HA 0.489 5.044 4.556 -0.001 0.000 0.339 890 H C -0.067 175.164 175.328 -0.161 0.000 1.109 890 H CA -0.185 55.829 56.048 -0.057 0.000 1.352 890 H CB 1.262 31.068 29.762 0.073 0.000 1.461 890 H HN 0.698 nan 8.280 nan 0.000 0.533 891 I N 0.167 120.563 120.570 -0.290 0.000 2.785 891 I HA 0.618 4.788 4.170 -0.001 0.000 0.302 891 I C -1.424 174.336 176.117 -0.595 0.000 1.069 891 I CA -0.955 60.197 61.300 -0.247 0.000 1.045 891 I CB 2.205 40.158 38.000 -0.078 0.000 1.236 891 I HN 0.247 nan 8.210 nan 0.000 0.429 892 Y N 2.243 122.596 120.300 0.087 0.000 2.670 892 Y HA 0.703 5.252 4.550 -0.001 0.000 0.334 892 Y C -0.686 175.270 175.900 0.093 0.000 1.185 892 Y CA -1.113 57.044 58.100 0.096 0.000 1.053 892 Y CB 1.417 39.954 38.460 0.129 0.000 1.298 892 Y HN 0.418 nan 8.280 nan 0.000 0.459 893 R N 1.342 122.010 120.500 0.280 0.000 2.621 893 R HA 0.592 4.931 4.340 -0.001 0.000 0.292 893 R C -1.956 174.459 176.300 0.191 0.000 0.969 893 R CA -1.073 55.140 56.100 0.188 0.000 0.887 893 R CB 2.510 32.880 30.300 0.116 0.000 1.180 893 R HN 0.665 nan 8.270 nan 0.000 0.450 894 L N 2.764 124.080 121.223 0.156 0.000 2.316 894 L HA 0.441 4.780 4.340 -0.001 0.000 0.280 894 L C -1.161 175.737 176.870 0.046 0.000 1.006 894 L CA -0.556 54.349 54.840 0.109 0.000 0.836 894 L CB 1.787 43.920 42.059 0.123 0.000 1.221 894 L HN 0.313 nan 8.230 nan 0.000 0.418 895 V N 6.209 126.134 119.914 0.018 0.000 2.313 895 V HA 0.390 4.509 4.120 -0.001 0.000 0.278 895 V C -0.291 175.774 176.094 -0.049 0.000 1.017 895 V CA -0.585 61.705 62.300 -0.017 0.000 0.823 895 V CB 1.309 33.114 31.823 -0.030 0.000 1.010 895 V HN 0.633 nan 8.190 nan 0.000 0.443 896 L N 5.540 126.730 121.223 -0.055 0.000 2.275 896 L HA 0.682 5.021 4.340 -0.001 0.000 0.288 896 L C -0.125 176.701 176.870 -0.072 0.000 1.046 896 L CA 0.659 55.458 54.840 -0.069 0.000 0.805 896 L CB 1.017 43.030 42.059 -0.076 0.000 1.193 896 L HN 0.741 nan 8.230 nan 0.000 0.426 897 E N 3.550 123.700 120.200 -0.082 0.000 2.408 897 E HA 0.459 4.808 4.350 -0.001 0.000 0.275 897 E C -1.268 175.284 176.600 -0.080 0.000 0.935 897 E CA -1.206 55.142 56.400 -0.086 0.000 0.775 897 E CB 1.536 31.169 29.700 -0.112 0.000 1.277 897 E HN 0.249 nan 8.360 nan 0.000 0.455 898 K N 1.398 121.755 120.400 -0.072 0.000 2.234 898 K HA 0.221 4.541 4.320 -0.001 0.000 0.282 898 K C 0.319 176.875 176.600 -0.073 0.000 1.039 898 K CA -0.211 56.039 56.287 -0.061 0.000 0.928 898 K CB 1.370 33.840 32.500 -0.051 0.000 1.039 898 K HN 0.477 nan 8.250 nan 0.000 0.470 899 V N -0.405 119.467 119.914 -0.070 0.000 3.346 899 V HA 0.030 4.150 4.120 -0.001 0.000 0.309 899 V C 1.180 177.239 176.094 -0.058 0.000 1.457 899 V CA -0.272 61.979 62.300 -0.082 0.000 1.069 899 V CB -0.287 31.471 31.823 -0.109 0.000 0.944 899 V HN 0.620 nan 8.190 nan 0.000 0.449 900 N N 1.400 120.074 118.700 -0.042 0.000 2.364 900 N HA -0.177 4.563 4.740 -0.001 0.000 0.183 900 N C 0.999 176.489 175.510 -0.033 0.000 1.022 900 N CA 1.581 54.613 53.050 -0.030 0.000 0.883 900 N CB -0.476 37.998 38.487 -0.022 0.000 0.965 900 N HN 0.540 nan 8.380 nan 0.000 0.438 901 N N 0.030 118.705 118.700 -0.041 0.000 2.280 901 N HA 0.076 4.816 4.740 -0.001 0.000 0.192 901 N C -0.299 175.181 175.510 -0.050 0.000 1.109 901 N CA -0.120 52.905 53.050 -0.041 0.000 0.855 901 N CB 0.128 38.590 38.487 -0.042 0.000 0.974 901 N HN 0.207 nan 8.380 nan 0.000 0.482 902 c N 1.395 119.959 118.600 -0.060 0.000 2.593 902 c HA 0.245 4.815 4.570 -0.001 0.000 0.409 902 c C 1.070 175.123 174.090 -0.061 0.000 1.304 902 c CA -0.944 55.342 56.329 -0.072 0.000 2.007 902 c CB 0.606 43.059 42.510 -0.095 0.000 2.614 902 c HN 0.010 nan 8.230 nan 0.000 0.585 903 V N 5.814 125.689 119.914 -0.066 0.000 2.370 903 V HA 0.195 4.314 4.120 -0.001 0.000 0.257 903 V C 0.664 176.724 176.094 -0.058 0.000 1.064 903 V CA 0.412 62.678 62.300 -0.057 0.000 0.975 903 V CB -0.659 31.125 31.823 -0.065 0.000 1.067 903 V HN 0.804 nan 8.190 nan 0.000 0.485 904 R N 4.683 125.162 120.500 -0.035 0.000 2.782 904 R HA 0.564 4.904 4.340 -0.001 0.000 0.258 904 R C -2.446 173.854 176.300 -0.001 0.000 1.055 904 R CA -1.825 54.264 56.100 -0.019 0.000 1.065 904 R CB 0.975 31.268 30.300 -0.012 0.000 1.172 904 R HN 0.397 nan 8.270 nan 0.000 0.510 905 P HA 0.008 nan 4.420 nan 0.000 0.272 905 P C -0.474 176.876 177.300 0.083 0.000 1.230 905 P CA -0.355 62.744 63.100 -0.002 0.000 0.788 905 P CB 0.716 32.337 31.700 -0.131 0.000 0.949 906 S N 0.691 116.468 115.700 0.128 0.000 2.606 906 S HA 0.083 4.553 4.470 -0.001 0.000 0.257 906 S C 1.306 175.992 174.600 0.143 0.000 1.327 906 S CA -0.201 58.070 58.200 0.119 0.000 0.984 906 S CB 0.314 63.582 63.200 0.114 0.000 0.941 906 S HN 0.418 nan 8.310 nan 0.000 0.576 907 K N -0.116 120.347 120.400 0.106 0.000 2.211 907 K HA 0.024 4.343 4.320 -0.001 0.000 0.204 907 K C 1.524 178.181 176.600 0.094 0.000 1.047 907 K CA 1.297 57.642 56.287 0.097 0.000 0.935 907 K CB -0.489 32.051 32.500 0.068 0.000 0.728 907 K HN 0.699 nan 8.250 nan 0.000 0.452 908 L N -0.105 121.175 121.223 0.094 0.000 2.567 908 L HA 0.041 4.381 4.340 -0.001 0.000 0.225 908 L C 0.988 177.903 176.870 0.076 0.000 1.119 908 L CA -0.315 54.564 54.840 0.064 0.000 0.871 908 L CB -0.209 41.873 42.059 0.038 0.000 1.036 908 L HN 0.200 nan 8.230 nan 0.000 0.459 909 H N 2.546 121.654 119.070 0.064 0.000 2.803 909 H HA 0.074 4.629 4.556 -0.001 0.000 0.330 909 H C -1.712 173.656 175.328 0.067 0.000 1.057 909 H CA -1.282 54.818 56.048 0.085 0.000 1.458 909 H CB 1.744 31.585 29.762 0.132 0.000 1.470 909 H HN -0.075 nan 8.280 nan 0.000 0.560 910 P HA 0.154 nan 4.420 nan 0.000 0.249 910 P C -0.455 176.948 177.300 0.171 0.000 1.229 910 P CA 0.157 63.290 63.100 0.055 0.000 0.788 910 P CB 0.552 32.214 31.700 -0.064 0.000 1.072 911 A N -0.370 122.730 122.820 0.466 0.000 2.313 911 A HA 0.787 5.106 4.320 -0.001 0.000 0.323 911 A C 0.181 177.834 177.584 0.115 0.000 1.133 911 A CA -0.374 51.809 52.037 0.244 0.000 0.847 911 A CB 1.062 20.199 19.000 0.228 0.000 1.308 911 A HN 0.150 nan 8.150 nan 0.000 0.475 912 G N -1.469 107.247 108.800 -0.141 0.000 2.642 912 G HA2 0.625 4.584 3.960 -0.001 0.000 0.293 912 G HA3 0.625 4.584 3.960 -0.001 0.000 0.293 912 G C -1.840 172.670 174.900 -0.649 0.000 1.341 912 G CA -0.382 44.564 45.100 -0.256 0.000 0.916 912 G HN 0.541 nan 8.290 nan 0.000 0.474 913 Y N -0.521 119.746 120.300 -0.056 0.000 2.492 913 Y HA 0.494 5.044 4.550 -0.001 0.000 0.346 913 Y C 0.435 176.102 175.900 -0.388 0.000 0.997 913 Y CA -0.933 57.068 58.100 -0.165 0.000 1.025 913 Y CB 2.146 40.500 38.460 -0.177 0.000 1.263 913 Y HN 0.334 nan 8.280 nan 0.000 0.454 914 L N 2.164 123.230 121.223 -0.262 0.000 2.472 914 L HA 0.359 4.698 4.340 -0.001 0.000 0.260 914 L C 0.666 177.390 176.870 -0.244 0.000 1.209 914 L CA -0.455 54.152 54.840 -0.388 0.000 0.817 914 L CB 0.768 42.680 42.059 -0.246 0.000 1.106 914 L HN 0.772 nan 8.230 nan 0.000 0.479 915 T N -2.728 111.673 114.554 -0.255 0.000 2.881 915 T HA 0.086 4.436 4.350 -0.001 0.000 0.278 915 T C 1.085 175.732 174.700 -0.088 0.000 0.982 915 T CA -0.200 61.795 62.100 -0.174 0.000 0.989 915 T CB 1.568 70.328 68.868 -0.179 0.000 1.058 915 T HN 0.603 nan 8.240 nan 0.000 0.529 916 S N 0.465 116.125 115.700 -0.067 0.000 2.359 916 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 916 S C 2.335 176.947 174.600 0.020 0.000 1.035 916 S CA 1.497 59.691 58.200 -0.011 0.000 1.018 916 S CB -1.235 61.941 63.200 -0.040 0.000 0.876 916 S HN 0.913 nan 8.310 nan 0.000 0.448 917 A N 1.248 124.054 122.820 -0.022 0.000 1.902 917 A HA 0.240 4.559 4.320 -0.001 0.000 0.217 917 A C 2.485 180.064 177.584 -0.008 0.000 1.181 917 A CA 1.856 53.883 52.037 -0.017 0.000 0.623 917 A CB -1.365 17.614 19.000 -0.035 0.000 0.818 917 A HN 0.815 nan 8.150 nan 0.000 0.443 918 A N -1.282 121.519 122.820 -0.031 0.000 1.898 918 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 918 A C 2.126 179.738 177.584 0.046 0.000 1.181 918 A CA 1.650 53.672 52.037 -0.026 0.000 0.620 918 A CB -0.948 17.978 19.000 -0.124 0.000 0.819 918 A HN 0.779 nan 8.150 nan 0.000 0.442 919 H N -0.359 118.698 119.070 -0.022 0.000 2.321 919 H HA -0.119 4.437 4.556 -0.001 0.000 0.300 919 H C 2.071 177.437 175.328 0.064 0.000 1.087 919 H CA 2.038 58.110 56.048 0.040 0.000 1.319 919 H CB 0.024 29.803 29.762 0.029 0.000 1.379 919 H HN 0.341 nan 8.280 nan 0.000 0.501 920 K N 0.587 120.959 120.400 -0.047 0.000 2.103 920 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 920 K C 2.332 178.899 176.600 -0.055 0.000 1.048 920 K CA 1.266 57.506 56.287 -0.079 0.000 0.930 920 K CB -0.396 32.106 32.500 0.002 0.000 0.716 920 K HN 0.371 nan 8.250 nan 0.000 0.444 921 A N -0.296 122.515 122.820 -0.015 0.000 1.933 921 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 921 A C 2.241 179.831 177.584 0.011 0.000 1.175 921 A CA 2.166 54.208 52.037 0.010 0.000 0.628 921 A CB -0.937 18.082 19.000 0.032 0.000 0.814 921 A HN 0.337 nan 8.150 nan 0.000 0.444 922 S N -0.658 115.050 115.700 0.013 0.000 2.368 922 S HA -0.224 4.246 4.470 -0.001 0.000 0.225 922 S C 2.136 176.728 174.600 -0.012 0.000 1.030 922 S CA 1.658 59.883 58.200 0.042 0.000 0.999 922 S CB -0.406 62.863 63.200 0.114 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.651 120.397 119.800 -0.090 0.000 2.170 923 Q HA -0.091 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.465 178.424 176.000 -0.068 0.000 0.976 923 Q CA 1.663 57.415 55.803 -0.085 0.000 0.858 923 Q CB -0.316 28.350 28.738 -0.121 0.000 0.907 923 Q HN 0.807 nan 8.270 nan 0.000 0.433 924 S N 0.164 115.834 115.700 -0.050 0.000 2.447 924 S HA -0.060 4.410 4.470 -0.001 0.000 0.233 924 S C 1.841 176.400 174.600 -0.069 0.000 1.006 924 S CA 0.614 58.783 58.200 -0.052 0.000 0.957 924 S CB -0.190 62.997 63.200 -0.022 0.000 0.773 924 S HN 0.274 nan 8.310 nan 0.000 0.507 925 L N 0.029 121.221 121.223 -0.052 0.000 2.168 925 L HA 0.234 4.574 4.340 -0.001 0.000 0.203 925 L C 2.491 179.305 176.870 -0.094 0.000 1.078 925 L CA 0.685 55.490 54.840 -0.058 0.000 0.780 925 L CB -0.367 41.676 42.059 -0.025 0.000 0.939 925 L HN 0.278 nan 8.230 nan 0.000 0.451 926 L N -1.108 120.063 121.223 -0.087 0.000 2.162 926 L HA 0.014 4.353 4.340 -0.001 0.000 0.205 926 L C 0.198 176.946 176.870 -0.204 0.000 1.086 926 L CA 0.839 55.613 54.840 -0.109 0.000 0.778 926 L CB 0.070 42.091 42.059 -0.064 0.000 0.928 926 L HN 0.210 nan 8.230 nan 0.000 0.446 927 D N 0.429 120.690 120.400 -0.232 0.000 2.613 927 D HA 0.230 4.870 4.640 -0.001 0.000 0.312 927 D C -2.334 173.739 176.300 -0.378 0.000 1.202 927 D CA -0.974 52.796 54.000 -0.385 0.000 0.825 927 D CB 1.317 42.087 40.800 -0.050 0.000 1.113 927 D HN 0.074 nan 8.370 nan 0.000 0.502 928 P HA 0.131 nan 4.420 nan 0.000 0.275 928 P C 0.550 177.726 177.300 -0.207 0.000 1.266 928 P CA -0.503 62.442 63.100 -0.259 0.000 0.793 928 P CB 1.606 33.170 31.700 -0.226 0.000 1.074 929 L N 0.712 121.868 121.223 -0.112 0.000 2.483 929 L HA 0.100 4.439 4.340 -0.001 0.000 0.276 929 L C 0.924 177.783 176.870 -0.018 0.000 1.213 929 L CA 0.426 55.242 54.840 -0.040 0.000 0.843 929 L CB -0.248 41.802 42.059 -0.014 0.000 1.107 929 L HN 0.294 nan 8.230 nan 0.000 0.487 930 D N 2.742 123.196 120.400 0.090 0.000 2.193 930 D HA 0.345 4.985 4.640 -0.001 0.000 0.249 930 D C -0.414 175.874 176.300 -0.019 0.000 1.034 930 D CA -0.369 53.622 54.000 -0.016 0.000 0.902 930 D CB 1.794 42.623 40.800 0.049 0.000 1.182 930 D HN 0.357 nan 8.370 nan 0.000 0.436 931 K N 1.284 121.548 120.400 -0.227 0.000 2.292 931 K HA 0.474 4.794 4.320 -0.001 0.000 0.257 931 K C -1.037 175.486 176.600 -0.128 0.000 0.940 931 K CA -0.660 55.631 56.287 0.007 0.000 0.811 931 K CB 1.564 34.042 32.500 -0.037 0.000 1.120 931 K HN 0.223 nan 8.250 nan 0.000 0.428 932 F N 2.726 122.862 119.950 0.310 0.000 2.507 932 F HA 0.476 5.003 4.527 -0.001 0.000 0.325 932 F C 0.015 176.111 175.800 0.493 0.000 1.116 932 F CA -0.898 57.289 58.000 0.312 0.000 0.930 932 F CB 1.163 40.187 39.000 0.039 0.000 1.146 932 F HN 0.199 nan 8.300 nan 0.000 0.447 933 I N 3.608 124.550 120.570 0.619 0.000 2.321 933 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 933 I C -0.431 175.925 176.117 0.399 0.000 0.998 933 I CA -0.815 60.764 61.300 0.466 0.000 1.227 933 I CB 1.035 39.210 38.000 0.291 0.000 1.368 933 I HN 0.437 nan 8.210 nan 0.000 0.466 934 F N 5.827 125.888 119.950 0.185 0.000 2.578 934 F HA 0.175 4.702 4.527 -0.001 0.000 0.381 934 F C 1.214 176.906 175.800 -0.181 0.000 1.069 934 F CA 0.028 57.834 58.000 -0.324 0.000 1.231 934 F CB 1.109 39.965 39.000 -0.240 0.000 1.086 934 F HN 0.609 nan 8.300 nan 0.000 0.564 935 A N 4.584 126.780 122.820 -1.040 0.000 1.975 935 A HA 0.038 4.358 4.320 -0.001 0.000 0.215 935 A C 0.985 178.283 177.584 -0.477 0.000 1.170 935 A CA 0.579 52.252 52.037 -0.607 0.000 0.656 935 A CB -0.433 18.224 19.000 -0.571 0.000 0.821 935 A HN 0.789 nan 8.150 nan 0.000 0.449 936 E N -0.572 119.192 120.200 -0.726 0.000 2.330 936 E HA 0.172 4.521 4.350 -0.001 0.000 0.256 936 E C 0.192 176.906 176.600 0.190 0.000 1.146 936 E CA -0.717 55.596 56.400 -0.146 0.000 0.945 936 E CB 0.255 29.945 29.700 -0.017 0.000 1.182 936 E HN 0.199 nan 8.360 nan 0.000 0.480 937 N N 0.582 119.406 118.700 0.207 0.000 2.216 937 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 937 N C -0.172 175.504 175.510 0.277 0.000 1.017 937 N CA 0.987 54.169 53.050 0.219 0.000 0.861 937 N CB 0.195 38.765 38.487 0.137 0.000 0.986 937 N HN 0.450 nan 8.380 nan 0.000 0.428 938 E N -0.735 119.648 120.200 0.305 0.000 2.256 938 E HA 0.117 4.467 4.350 -0.001 0.000 0.268 938 E C -1.507 175.162 176.600 0.115 0.000 0.877 938 E CA -0.711 55.794 56.400 0.174 0.000 0.757 938 E CB 1.256 31.026 29.700 0.116 0.000 1.183 938 E HN -0.006 nan 8.360 nan 0.000 0.418 939 W N 7.987 128.953 121.300 -0.558 0.000 2.309 939 W HA 0.404 5.063 4.660 -0.001 0.000 0.332 939 W C -1.330 174.967 176.519 -0.370 0.000 0.962 939 W CA -1.465 55.373 57.345 -0.844 0.000 1.497 939 W CB -0.109 28.372 29.460 -1.631 0.000 1.308 939 W HN 0.461 nan 8.180 nan 0.000 0.384 940 I N 5.818 126.476 120.570 0.148 0.000 2.496 940 I HA 0.263 4.433 4.170 -0.001 0.000 0.285 940 I C 1.459 177.562 176.117 -0.025 0.000 1.080 940 I CA 1.001 62.315 61.300 0.024 0.000 1.404 940 I CB 0.609 38.653 38.000 0.073 0.000 1.403 940 I HN 0.758 nan 8.210 nan 0.000 0.539 941 G N 4.293 112.992 108.800 -0.169 0.000 2.157 941 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.248 941 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.248 941 G C 0.441 175.091 174.900 -0.417 0.000 0.979 941 G CA -0.093 44.890 45.100 -0.194 0.000 0.650 941 G HN 0.989 nan 8.290 nan 0.000 0.529 942 A N -0.200 122.105 122.820 -0.857 0.000 2.540 942 A HA 0.532 4.852 4.320 -0.001 0.000 0.239 942 A C 0.579 177.731 177.584 -0.719 0.000 1.061 942 A CA 0.946 52.117 52.037 -1.444 0.000 0.758 942 A CB 0.190 17.985 19.000 -2.008 0.000 0.991 942 A HN 0.645 nan 8.150 nan 0.000 0.502 943 Q N 0.834 120.284 119.800 -0.583 0.000 2.351 943 Q HA 0.531 4.871 4.340 -0.001 0.000 0.273 943 Q C 1.089 176.963 176.000 -0.211 0.000 1.077 943 Q CA -0.211 55.421 55.803 -0.286 0.000 0.843 943 Q CB 1.914 30.548 28.738 -0.173 0.000 1.367 943 Q HN 0.793 nan 8.270 nan 0.000 0.449 944 G N 0.108 108.826 108.800 -0.137 0.000 2.777 944 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.211 944 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.211 944 G C 0.160 175.028 174.900 -0.053 0.000 1.149 944 G CA 0.520 45.557 45.100 -0.104 0.000 0.785 944 G HN 0.443 nan 8.290 nan 0.000 0.536 945 Q N -1.349 118.435 119.800 -0.026 0.000 2.527 945 Q HA 0.513 4.852 4.340 -0.001 0.000 0.280 945 Q C -2.396 173.619 176.000 0.026 0.000 0.977 945 Q CA -0.929 54.874 55.803 0.000 0.000 0.837 945 Q CB 2.050 30.776 28.738 -0.021 0.000 1.454 945 Q HN 0.036 nan 8.270 nan 0.000 0.387 946 F N 1.274 121.123 119.950 -0.168 0.000 2.569 946 F HA 0.644 5.171 4.527 -0.001 0.000 0.312 946 F C 0.458 176.000 175.800 -0.430 0.000 1.109 946 F CA 0.427 58.264 58.000 -0.272 0.000 0.919 946 F CB 2.068 40.917 39.000 -0.250 0.000 1.211 946 F HN 0.685 nan 8.300 nan 0.000 0.446 947 G N 3.034 110.805 108.800 -1.714 0.000 2.141 947 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.242 947 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.242 947 G C 1.040 175.227 174.900 -1.188 0.000 0.982 947 G CA 0.287 44.076 45.100 -2.185 0.000 0.662 947 G HN 1.611 nan 8.290 nan 0.000 0.527 948 G N 1.112 109.525 108.800 -0.644 0.000 2.479 948 G HA2 0.011 3.970 3.960 -0.001 0.000 0.220 948 G HA3 0.011 3.970 3.960 -0.001 0.000 0.220 948 G C 1.213 176.029 174.900 -0.139 0.000 1.115 948 G CA 1.760 46.716 45.100 -0.241 0.000 0.757 948 G HN 0.837 nan 8.290 nan 0.000 0.560 949 D N -0.851 119.385 120.400 -0.273 0.000 2.340 949 D HA 0.030 4.669 4.640 -0.001 0.000 0.217 949 D C 0.359 176.642 176.300 -0.029 0.000 1.081 949 D CA -0.468 53.470 54.000 -0.103 0.000 0.842 949 D CB -0.850 39.902 40.800 -0.081 0.000 0.934 949 D HN 0.459 nan 8.370 nan 0.000 0.511 950 H N 0.959 119.909 119.070 -0.199 0.000 2.732 950 H HA 0.258 4.813 4.556 -0.001 0.000 0.351 950 H C -2.011 173.275 175.328 -0.070 0.000 1.090 950 H CA -1.815 54.141 56.048 -0.154 0.000 1.431 950 H CB 0.709 30.328 29.762 -0.239 0.000 1.447 950 H HN -0.009 nan 8.280 nan 0.000 0.582 951 P HA -0.040 nan 4.420 nan 0.000 0.271 951 P C -0.629 176.735 177.300 0.106 0.000 1.216 951 P CA -0.060 63.098 63.100 0.097 0.000 0.776 951 P CB 0.801 32.538 31.700 0.062 0.000 0.881 952 S N 2.296 118.094 115.700 0.162 0.000 2.466 952 S HA 0.568 5.037 4.470 -0.001 0.000 0.313 952 S C 0.087 174.799 174.600 0.187 0.000 1.078 952 S CA -0.610 57.718 58.200 0.213 0.000 1.115 952 S CB -0.753 62.689 63.200 0.403 0.000 1.006 952 S HN 0.504 nan 8.310 nan 0.000 0.487 953 A N 4.786 127.706 122.820 0.167 0.000 2.366 953 A HA 0.420 4.740 4.320 -0.001 0.000 0.249 953 A C 0.747 178.402 177.584 0.117 0.000 1.084 953 A CA -0.477 51.638 52.037 0.130 0.000 0.794 953 A CB 0.228 19.302 19.000 0.122 0.000 1.034 953 A HN 0.875 nan 8.150 nan 0.000 0.491 954 R N 0.237 120.776 120.500 0.065 0.000 2.698 954 R HA -0.049 4.290 4.340 -0.001 0.000 0.266 954 R C 1.412 177.720 176.300 0.013 0.000 1.026 954 R CA 0.897 57.009 56.100 0.020 0.000 1.102 954 R CB 0.329 30.625 30.300 -0.006 0.000 0.978 954 R HN 0.972 nan 8.270 nan 0.000 0.436 955 E N 1.931 122.098 120.200 -0.055 0.000 2.209 955 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 955 E C 0.376 176.995 176.600 0.031 0.000 0.993 955 E CA 1.792 58.139 56.400 -0.089 0.000 0.819 955 E CB -0.080 29.543 29.700 -0.127 0.000 0.745 955 E HN 0.711 nan 8.360 nan 0.000 0.477 956 D N 0.575 120.956 120.400 -0.031 0.000 2.349 956 D HA 0.006 4.646 4.640 -0.001 0.000 0.224 956 D C 0.348 176.636 176.300 -0.020 0.000 1.029 956 D CA -0.100 53.839 54.000 -0.101 0.000 0.879 956 D CB -0.051 40.635 40.800 -0.190 0.000 0.906 956 D HN 0.186 nan 8.370 nan 0.000 0.528 957 L N 0.645 121.907 121.223 0.065 0.000 2.309 957 L HA 0.532 4.871 4.340 -0.001 0.000 0.282 957 L C -1.086 175.911 176.870 0.211 0.000 1.036 957 L CA -0.413 54.487 54.840 0.100 0.000 0.806 957 L CB 1.695 43.801 42.059 0.079 0.000 1.220 957 L HN -0.207 nan 8.230 nan 0.000 0.429 958 D N 2.293 122.839 120.400 0.243 0.000 2.645 958 D HA 0.367 5.006 4.640 -0.001 0.000 0.228 958 D C -1.415 175.053 176.300 0.279 0.000 1.148 958 D CA -0.272 53.900 54.000 0.286 0.000 0.860 958 D CB 2.441 43.459 40.800 0.363 0.000 1.548 958 D HN 0.226 nan 8.370 nan 0.000 0.460 959 V N 3.427 123.486 119.914 0.241 0.000 2.258 959 V HA 0.132 4.251 4.120 -0.001 0.000 0.258 959 V C 1.288 177.528 176.094 0.243 0.000 1.121 959 V CA -0.042 62.411 62.300 0.256 0.000 0.942 959 V CB 0.426 32.388 31.823 0.232 0.000 1.170 959 V HN 0.612 nan 8.190 nan 0.000 0.487 960 S N 3.089 118.964 115.700 0.292 0.000 2.383 960 S HA -0.050 4.419 4.470 -0.001 0.000 0.229 960 S C 0.690 175.358 174.600 0.113 0.000 1.030 960 S CA 1.020 59.348 58.200 0.214 0.000 1.002 960 S CB 0.107 63.502 63.200 0.325 0.000 0.829 960 S HN 0.499 nan 8.310 nan 0.000 0.467 961 V N 1.298 121.314 119.914 0.170 0.000 2.760 961 V HA 0.538 4.657 4.120 -0.001 0.000 0.309 961 V C -0.772 175.387 176.094 0.109 0.000 1.077 961 V CA -0.558 61.813 62.300 0.118 0.000 0.910 961 V CB 1.913 33.831 31.823 0.158 0.000 1.008 961 V HN 0.373 nan 8.190 nan 0.000 0.424 962 M N 5.493 125.075 119.600 -0.030 0.000 2.151 962 M HA 0.655 5.135 4.480 -0.001 0.000 0.290 962 M C -1.087 175.037 176.300 -0.294 0.000 0.965 962 M CA -0.477 54.670 55.300 -0.256 0.000 0.930 962 M CB 1.365 33.827 32.600 -0.231 0.000 1.560 962 M HN 0.755 nan 8.290 nan 0.000 0.438 963 R N 4.108 124.365 120.500 -0.404 0.000 2.515 963 R HA 0.429 4.768 4.340 -0.001 0.000 0.291 963 R C -1.371 174.698 176.300 -0.385 0.000 1.046 963 R CA -0.682 55.234 56.100 -0.307 0.000 0.914 963 R CB 1.818 32.026 30.300 -0.153 0.000 1.191 963 R HN 0.893 nan 8.270 nan 0.000 0.435 964 R N 4.532 124.860 120.500 -0.287 0.000 2.442 964 R HA 0.127 4.467 4.340 -0.001 0.000 0.291 964 R C 0.185 176.372 176.300 -0.188 0.000 1.069 964 R CA 0.089 56.050 56.100 -0.232 0.000 1.022 964 R CB 0.600 30.823 30.300 -0.129 0.000 0.976 964 R HN 0.706 nan 8.270 nan 0.000 0.443 965 L N 3.088 124.194 121.223 -0.195 0.000 2.616 965 L HA 0.151 4.491 4.340 -0.001 0.000 0.229 965 L C 0.361 177.181 176.870 -0.083 0.000 1.110 965 L CA -0.010 54.738 54.840 -0.153 0.000 0.884 965 L CB 0.364 42.297 42.059 -0.209 0.000 1.115 965 L HN 0.719 nan 8.230 nan 0.000 0.481 966 T N -2.863 111.653 114.554 -0.063 0.000 2.912 966 T HA 0.449 4.799 4.350 -0.001 0.000 0.288 966 T C -0.209 174.484 174.700 -0.011 0.000 1.030 966 T CA -0.928 61.153 62.100 -0.032 0.000 1.020 966 T CB 2.436 71.292 68.868 -0.021 0.000 1.056 966 T HN -0.093 nan 8.240 nan 0.000 0.480 967 K N 0.888 121.288 120.400 -0.001 0.000 2.102 967 K HA 0.326 4.646 4.320 -0.001 0.000 0.244 967 K C 1.649 178.264 176.600 0.024 0.000 1.021 967 K CA -0.263 56.034 56.287 0.016 0.000 0.913 967 K CB 0.729 33.237 32.500 0.012 0.000 1.062 967 K HN 0.815 nan 8.250 nan 0.000 0.485 968 S N -0.617 115.105 115.700 0.038 0.000 2.442 968 S HA -0.147 4.322 4.470 -0.001 0.000 0.236 968 S C 1.789 176.404 174.600 0.025 0.000 1.007 968 S CA 1.496 59.717 58.200 0.035 0.000 0.965 968 S CB -0.333 62.894 63.200 0.045 0.000 0.773 968 S HN 0.639 nan 8.310 nan 0.000 0.504 969 S N 1.451 117.164 115.700 0.021 0.000 2.561 969 S HA 0.424 4.894 4.470 -0.001 0.000 0.225 969 S C 0.796 175.403 174.600 0.012 0.000 0.977 969 S CA 0.039 58.249 58.200 0.017 0.000 0.926 969 S CB -0.612 62.597 63.200 0.016 0.000 0.769 969 S HN 0.771 nan 8.310 nan 0.000 0.533 970 A N 1.886 124.712 122.820 0.010 0.000 2.451 970 A HA 0.372 4.691 4.320 -0.001 0.000 0.266 970 A C 1.239 178.829 177.584 0.011 0.000 1.119 970 A CA -0.370 51.671 52.037 0.006 0.000 0.786 970 A CB 0.171 19.172 19.000 0.001 0.000 1.061 970 A HN 0.496 nan 8.150 nan 0.000 0.503 971 K N 1.922 122.328 120.400 0.009 0.000 2.063 971 K HA -0.099 4.220 4.320 -0.001 0.000 0.208 971 K C 0.164 176.774 176.600 0.017 0.000 1.048 971 K CA 1.733 58.027 56.287 0.012 0.000 0.928 971 K CB -0.048 32.456 32.500 0.008 0.000 0.713 971 K HN 0.646 nan 8.250 nan 0.000 0.442 972 T N 2.336 116.898 114.554 0.013 0.000 2.753 972 T HA 0.180 4.530 4.350 -0.001 0.000 0.297 972 T C -0.840 173.874 174.700 0.024 0.000 0.981 972 T CA -0.678 61.432 62.100 0.018 0.000 0.956 972 T CB 1.457 70.326 68.868 0.003 0.000 0.936 972 T HN 0.085 nan 8.240 nan 0.000 0.463 973 Q N 2.781 122.613 119.800 0.053 0.000 2.293 973 Q HA 0.409 4.748 4.340 -0.001 0.000 0.251 973 Q C 0.056 176.109 176.000 0.087 0.000 0.930 973 Q CA 0.043 55.881 55.803 0.059 0.000 0.893 973 Q CB 1.298 30.076 28.738 0.067 0.000 1.215 973 Q HN 0.552 nan 8.270 nan 0.000 0.425 974 R N 0.401 120.920 120.500 0.032 0.000 2.628 974 R HA 0.669 5.009 4.340 -0.001 0.000 0.288 974 R C -1.076 175.180 176.300 -0.073 0.000 0.980 974 R CA -0.685 55.418 56.100 0.006 0.000 0.891 974 R CB 1.841 32.113 30.300 -0.047 0.000 1.188 974 R HN 0.245 nan 8.270 nan 0.000 0.450 975 V N 1.562 121.430 119.914 -0.077 0.000 2.531 975 V HA 0.576 4.695 4.120 -0.001 0.000 0.301 975 V C 0.176 176.008 176.094 -0.436 0.000 1.034 975 V CA -0.852 61.278 62.300 -0.282 0.000 0.865 975 V CB 2.005 33.673 31.823 -0.258 0.000 0.995 975 V HN 0.950 nan 8.190 nan 0.000 0.424 976 G N 3.047 111.389 108.800 -0.763 0.000 2.371 976 G HA2 0.661 4.620 3.960 -0.001 0.000 0.326 976 G HA3 0.661 4.620 3.960 -0.001 0.000 0.326 976 G C -1.640 172.827 174.900 -0.721 0.000 1.127 976 G CA -0.287 44.218 45.100 -0.992 0.000 0.885 976 G HN 0.501 nan 8.290 nan 0.000 0.477 977 Y N 0.203 120.572 120.300 0.115 0.000 2.442 977 Y HA 0.474 5.023 4.550 -0.001 0.000 0.344 977 Y C -0.167 175.996 175.900 0.438 0.000 0.976 977 Y CA -0.889 57.374 58.100 0.271 0.000 1.040 977 Y CB 2.761 41.350 38.460 0.215 0.000 1.228 977 Y HN 0.345 nan 8.280 nan 0.000 0.451 978 V N 5.111 125.320 119.914 0.491 0.000 2.384 978 V HA 0.373 4.493 4.120 -0.001 0.000 0.287 978 V C -0.705 175.621 176.094 0.386 0.000 1.020 978 V CA -0.718 61.803 62.300 0.368 0.000 0.850 978 V CB 1.413 33.404 31.823 0.279 0.000 0.987 978 V HN 0.528 nan 8.190 nan 0.000 0.436 979 L N 4.904 126.340 121.223 0.355 0.000 2.313 979 L HA 0.569 4.909 4.340 -0.001 0.000 0.283 979 L C -0.668 176.399 176.870 0.328 0.000 1.013 979 L CA -0.302 54.741 54.840 0.339 0.000 0.816 979 L CB 1.428 43.685 42.059 0.330 0.000 1.236 979 L HN 0.798 nan 8.230 nan 0.000 0.419 980 H N 3.918 123.139 119.070 0.252 0.000 2.589 980 H HA 0.476 5.032 4.556 -0.001 0.000 0.351 980 H C -0.939 174.474 175.328 0.142 0.000 1.074 980 H CA -0.572 55.589 56.048 0.189 0.000 1.203 980 H CB 1.555 31.486 29.762 0.282 0.000 1.558 980 H HN 0.510 nan 8.280 nan 0.000 0.522 981 R N 4.380 124.478 120.500 -0.670 0.000 2.360 981 R HA 0.292 4.632 4.340 -0.001 0.000 0.318 981 R C -0.456 175.406 176.300 -0.731 0.000 0.950 981 R CA -0.460 55.348 56.100 -0.487 0.000 0.837 981 R CB 1.357 31.518 30.300 -0.231 0.000 1.165 981 R HN 0.795 nan 8.270 nan 0.000 0.458 982 T N 1.513 115.793 114.554 -0.458 0.000 2.833 982 T HA 0.207 4.556 4.350 -0.001 0.000 0.292 982 T C -0.516 174.010 174.700 -0.291 0.000 1.031 982 T CA -0.446 61.493 62.100 -0.269 0.000 0.937 982 T CB 0.658 69.471 68.868 -0.092 0.000 1.256 982 T HN 0.655 nan 8.240 nan 0.000 0.551 983 N N 0.541 119.097 118.700 -0.241 0.000 2.399 983 N HA 0.470 5.210 4.740 -0.001 0.000 0.284 983 N C -1.534 173.818 175.510 -0.263 0.000 1.025 983 N CA -0.489 52.356 53.050 -0.342 0.000 0.885 983 N CB 0.695 38.810 38.487 -0.620 0.000 1.339 983 N HN 0.482 nan 8.380 nan 0.000 0.487 984 L N 2.810 123.872 121.223 -0.268 0.000 2.325 984 L HA 0.543 4.882 4.340 -0.001 0.000 0.278 984 L C 0.483 177.230 176.870 -0.205 0.000 1.023 984 L CA -0.953 53.763 54.840 -0.206 0.000 0.811 984 L CB 1.630 43.572 42.059 -0.195 0.000 1.249 984 L HN 0.384 nan 8.230 nan 0.000 0.431 985 M N 2.092 121.592 119.600 -0.167 0.000 2.249 985 M HA 0.090 4.569 4.480 -0.001 0.000 0.340 985 M C -0.228 175.987 176.300 -0.142 0.000 1.166 985 M CA 0.301 55.506 55.300 -0.159 0.000 1.115 985 M CB 0.295 32.809 32.600 -0.143 0.000 1.606 985 M HN 0.543 nan 8.290 nan 0.000 0.448 986 Q N 1.516 121.236 119.800 -0.133 0.000 2.314 986 Q HA 0.204 4.543 4.340 -0.001 0.000 0.257 986 Q C -0.340 175.603 176.000 -0.095 0.000 0.975 986 Q CA -0.331 55.406 55.803 -0.110 0.000 0.933 986 Q CB 0.899 29.575 28.738 -0.103 0.000 1.195 986 Q HN 0.775 nan 8.270 nan 0.000 0.426 987 c N 1.542 120.089 118.600 -0.088 0.000 3.240 987 c HA 0.436 5.005 4.570 -0.001 0.000 0.271 987 c C 1.258 175.309 174.090 -0.066 0.000 1.534 987 c CA -0.053 56.229 56.329 -0.079 0.000 1.796 987 c CB -0.446 42.011 42.510 -0.087 0.000 2.892 987 c HN 1.149 nan 8.230 nan 0.000 0.566 988 G N 1.061 109.823 108.800 -0.063 0.000 2.179 988 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.220 988 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.220 988 G C 0.064 174.932 174.900 -0.054 0.000 0.990 988 G CA 0.257 45.325 45.100 -0.054 0.000 0.646 988 G HN 0.419 nan 8.290 nan 0.000 0.517 989 T N 3.339 117.856 114.554 -0.062 0.000 2.737 989 T HA 0.502 4.852 4.350 -0.001 0.000 0.296 989 T C -1.680 172.980 174.700 -0.067 0.000 0.922 989 T CA -0.460 61.602 62.100 -0.063 0.000 1.079 989 T CB 1.437 70.264 68.868 -0.068 0.000 0.892 989 T HN 0.188 nan 8.240 nan 0.000 0.514 990 P HA 0.095 nan 4.420 nan 0.000 0.265 990 P C 0.956 178.204 177.300 -0.087 0.000 1.187 990 P CA -0.212 62.849 63.100 -0.065 0.000 0.766 990 P CB 0.775 32.442 31.700 -0.055 0.000 0.820 991 E N 3.292 123.442 120.200 -0.084 0.000 2.005 991 E HA -0.220 4.129 4.350 -0.001 0.000 0.198 991 E C -0.057 176.455 176.600 -0.146 0.000 1.010 991 E CA 1.637 57.978 56.400 -0.099 0.000 0.825 991 E CB -0.097 29.558 29.700 -0.074 0.000 0.769 991 E HN 0.661 nan 8.360 nan 0.000 0.456 992 E N -2.251 117.867 120.200 -0.137 0.000 9.117 992 E HA -0.289 4.060 4.350 -0.001 0.000 0.474 992 E C 0.112 176.621 176.600 -0.152 0.000 1.367 992 E CA 1.292 57.564 56.400 -0.212 0.000 2.381 992 E CB -1.510 27.856 29.700 -0.557 0.000 1.023 992 E HN 0.644 nan 8.360 nan 0.000 0.272 993 H N -0.049 119.015 119.070 -0.010 0.000 1.452 993 H HA -0.328 4.228 4.556 -0.001 0.000 0.090 993 H C 0.674 176.006 175.328 0.008 0.000 0.946 993 H CA 2.771 58.819 56.048 -0.001 0.000 1.901 993 H CB -1.690 28.074 29.762 0.004 0.000 2.257 993 H HN 2.118 nan 8.280 nan 0.000 0.961 994 T N -1.123 113.551 114.554 0.200 0.000 0.543 994 T HA -0.201 4.148 4.350 -0.001 0.000 0.774 994 T C -0.578 174.176 174.700 0.091 0.000 0.992 994 T CA 0.786 62.960 62.100 0.123 0.000 4.076 994 T CB -0.556 68.353 68.868 0.068 0.000 2.302 994 T HN 0.693 nan 8.240 nan 0.000 0.398 995 Q N 1.662 121.516 119.800 0.091 0.000 2.205 995 Q HA 0.663 5.002 4.340 -0.001 0.000 0.249 995 Q C 0.070 176.096 176.000 0.043 0.000 0.948 995 Q CA -1.240 54.600 55.803 0.061 0.000 0.895 995 Q CB 1.100 29.878 28.738 0.065 0.000 1.249 995 Q HN 0.761 nan 8.270 nan 0.000 0.458 996 K N 1.069 121.480 120.400 0.019 0.000 2.401 996 K HA 0.143 4.463 4.320 -0.001 0.000 0.278 996 K C -1.170 175.429 176.600 -0.001 0.000 1.018 996 K CA -0.212 56.076 56.287 0.002 0.000 0.981 996 K CB 0.283 32.772 32.500 -0.018 0.000 0.933 996 K HN 0.426 nan 8.250 nan 0.000 0.477 997 L N 4.293 125.513 121.223 -0.005 0.000 2.265 997 L HA 0.336 4.675 4.340 -0.001 0.000 0.289 997 L C -1.198 175.631 176.870 -0.067 0.000 1.033 997 L CA -0.042 54.787 54.840 -0.017 0.000 0.814 997 L CB 1.159 43.222 42.059 0.006 0.000 1.203 997 L HN 0.629 nan 8.230 nan 0.000 0.423 998 D N 3.512 123.863 120.400 -0.082 0.000 2.464 998 D HA 0.154 4.794 4.640 -0.001 0.000 0.243 998 D C 1.073 177.268 176.300 -0.175 0.000 1.104 998 D CA -0.258 53.669 54.000 -0.122 0.000 0.883 998 D CB 1.153 41.921 40.800 -0.053 0.000 1.050 998 D HN 0.380 nan 8.370 nan 0.000 0.524 999 V N 1.264 120.978 119.914 -0.333 0.000 2.720 999 V HA -0.188 3.931 4.120 -0.001 0.000 0.256 999 V C 2.119 177.873 176.094 -0.567 0.000 1.082 999 V CA 1.105 63.023 62.300 -0.636 0.000 1.101 999 V CB -1.081 30.109 31.823 -1.056 0.000 0.693 999 V HN 0.601 nan 8.190 nan 0.000 0.479 1000 c N 0.542 118.957 118.600 -0.308 0.000 2.432 1000 c HA 0.006 4.575 4.570 -0.001 0.000 0.282 1000 c C 2.157 176.137 174.090 -0.184 0.000 1.388 1000 c CA 1.287 57.507 56.329 -0.182 0.000 1.777 1000 c CB -1.690 40.710 42.510 -0.183 0.000 1.882 1000 c HN 0.775 nan 8.230 nan 0.000 0.520 1001 H N -0.886 118.146 119.070 -0.063 0.000 2.520 1001 H HA 0.260 4.816 4.556 -0.001 0.000 0.284 1001 H C 1.709 177.061 175.328 0.039 0.000 1.037 1001 H CA 0.017 56.073 56.048 0.012 0.000 1.168 1001 H CB 0.034 29.788 29.762 -0.014 0.000 1.497 1001 H HN 0.355 nan 8.280 nan 0.000 0.547 1002 L N -0.202 121.066 121.223 0.074 0.000 2.141 1002 L HA -0.010 4.329 4.340 -0.001 0.000 0.209 1002 L C 0.224 177.226 176.870 0.221 0.000 1.094 1002 L CA 0.884 55.798 54.840 0.123 0.000 0.763 1002 L CB 0.106 42.201 42.059 0.061 0.000 0.908 1002 L HN 0.210 nan 8.230 nan 0.000 0.437 1003 L N 0.232 121.545 121.223 0.151 0.000 2.331 1003 L HA 0.377 4.717 4.340 -0.001 0.000 0.275 1003 L C -2.051 174.864 176.870 0.075 0.000 1.022 1003 L CA -1.993 52.865 54.840 0.030 0.000 0.812 1003 L CB 1.466 43.302 42.059 -0.372 0.000 1.257 1003 L HN -0.178 nan 8.230 nan 0.000 0.435 1004 P HA 0.081 nan 4.420 nan 0.000 0.274 1004 P C -0.817 176.599 177.300 0.192 0.000 1.256 1004 P CA -0.194 62.976 63.100 0.117 0.000 0.795 1004 P CB 0.530 32.276 31.700 0.077 0.000 1.038 1005 N N -2.759 116.031 118.700 0.150 0.000 2.758 1005 N HA -0.130 4.610 4.740 -0.001 0.000 0.248 1005 N C -0.061 175.521 175.510 0.120 0.000 1.076 1005 N CA 0.427 53.554 53.050 0.128 0.000 0.696 1005 N CB -2.150 36.407 38.487 0.117 0.000 0.979 1005 N HN 0.334 nan 8.380 nan 0.000 0.550 1006 V N 0.019 119.949 119.914 0.027 0.000 2.637 1006 V HA 0.443 4.563 4.120 -0.001 0.000 0.296 1006 V C 1.276 177.258 176.094 -0.187 0.000 1.046 1006 V CA 0.961 63.102 62.300 -0.265 0.000 1.066 1006 V CB 1.357 32.929 31.823 -0.418 0.000 0.968 1006 V HN 0.440 nan 8.190 nan 0.000 0.483 1007 A N 6.896 129.588 122.820 -0.213 0.000 2.312 1007 A HA 0.504 4.823 4.320 -0.001 0.000 0.215 1007 A C 0.867 178.406 177.584 -0.075 0.000 1.256 1007 A CA -0.079 51.899 52.037 -0.099 0.000 0.966 1007 A CB 0.275 19.238 19.000 -0.061 0.000 1.053 1007 A HN 0.763 nan 8.150 nan 0.000 0.510 1008 R N -1.556 118.865 120.500 -0.132 0.000 2.634 1008 R HA 0.494 4.833 4.340 -0.001 0.000 0.263 1008 R C -2.331 173.905 176.300 -0.107 0.000 1.060 1008 R CA -0.311 55.757 56.100 -0.054 0.000 0.898 1008 R CB 1.590 31.908 30.300 0.030 0.000 1.253 1008 R HN 0.304 nan 8.270 nan 0.000 0.461 1009 c N 2.694 121.245 118.600 -0.083 0.000 2.481 1009 c HA 0.612 5.181 4.570 -0.001 0.000 0.324 1009 c C -1.292 172.803 174.090 0.009 0.000 1.170 1009 c CA -0.203 56.093 56.329 -0.056 0.000 1.361 1009 c CB 1.227 43.673 42.510 -0.107 0.000 1.977 1009 c HN 0.920 nan 8.230 nan 0.000 0.459 1010 E N 3.091 123.357 120.200 0.112 0.000 2.293 1010 E HA 0.444 4.793 4.350 -0.001 0.000 0.270 1010 E C -1.003 175.747 176.600 0.250 0.000 0.879 1010 E CA -0.634 55.861 56.400 0.159 0.000 0.756 1010 E CB 1.942 31.726 29.700 0.141 0.000 1.208 1010 E HN 0.669 nan 8.360 nan 0.000 0.428 1011 R N 1.586 122.217 120.500 0.219 0.000 2.357 1011 R HA 0.377 4.716 4.340 -0.001 0.000 0.296 1011 R C -0.559 175.769 176.300 0.046 0.000 1.052 1011 R CA 0.114 56.274 56.100 0.100 0.000 0.988 1011 R CB 0.721 31.056 30.300 0.058 0.000 1.025 1011 R HN 0.726 nan 8.270 nan 0.000 0.469 1012 T N -0.375 114.182 114.554 0.004 0.000 2.838 1012 T HA 0.346 4.695 4.350 -0.001 0.000 0.292 1012 T C 0.024 174.710 174.700 -0.023 0.000 1.113 1012 T CA -0.764 61.362 62.100 0.043 0.000 1.008 1012 T CB 1.310 70.274 68.868 0.160 0.000 1.259 1012 T HN 0.621 nan 8.240 nan 0.000 0.520 1013 T N 0.273 114.816 114.554 -0.018 0.000 2.795 1013 T HA 0.242 4.591 4.350 -0.001 0.000 0.314 1013 T C 1.680 176.300 174.700 -0.133 0.000 1.069 1013 T CA -0.743 61.322 62.100 -0.058 0.000 1.071 1013 T CB -0.057 68.793 68.868 -0.030 0.000 0.988 1013 T HN 0.572 nan 8.240 nan 0.000 0.543 1014 L N 0.980 122.104 121.223 -0.165 0.000 2.353 1014 L HA -0.056 4.283 4.340 -0.001 0.000 0.220 1014 L C 2.820 179.381 176.870 -0.516 0.000 1.133 1014 L CA 1.504 56.178 54.840 -0.277 0.000 0.798 1014 L CB -1.141 40.840 42.059 -0.128 0.000 0.922 1014 L HN 0.984 nan 8.230 nan 0.000 0.445 1015 T N -4.954 109.400 114.554 -0.334 0.000 3.107 1015 T HA 0.057 4.407 4.350 -0.001 0.000 0.249 1015 T C 0.857 175.431 174.700 -0.209 0.000 1.096 1015 T CA -0.206 61.725 62.100 -0.280 0.000 1.012 1015 T CB -0.278 68.565 68.868 -0.042 0.000 0.977 1015 T HN 0.326 nan 8.240 nan 0.000 0.527 1016 F N -0.687 119.275 119.950 0.021 0.000 2.871 1016 F HA -0.237 4.290 4.527 -0.001 0.000 0.326 1016 F C 1.162 176.965 175.800 0.004 0.000 0.675 1016 F CA 0.195 58.200 58.000 0.010 0.000 1.188 1016 F CB -2.132 36.870 39.000 0.003 0.000 1.567 1016 F HN 0.203 nan 8.300 nan 0.000 0.325 1017 L N -0.489 120.811 121.223 0.128 0.000 2.418 1017 L HA 0.025 4.364 4.340 -0.001 0.000 0.218 1017 L C 1.075 177.972 176.870 0.044 0.000 1.125 1017 L CA 1.156 56.041 54.840 0.075 0.000 0.835 1017 L CB -0.007 42.078 42.059 0.043 0.000 0.953 1017 L HN 0.340 nan 8.230 nan 0.000 0.454 1018 Q N 0.477 120.302 119.800 0.042 0.000 2.323 1018 Q HA 0.266 4.605 4.340 -0.001 0.000 0.271 1018 Q C -1.128 174.894 176.000 0.038 0.000 1.048 1018 Q CA -0.724 55.093 55.803 0.023 0.000 0.792 1018 Q CB 1.791 30.527 28.738 -0.003 0.000 1.280 1018 Q HN 0.093 nan 8.270 nan 0.000 0.441 1019 N N 4.394 123.117 118.700 0.038 0.000 2.497 1019 N HA 0.178 4.917 4.740 -0.001 0.000 0.271 1019 N C 0.218 175.751 175.510 0.038 0.000 1.142 1019 N CA 0.254 53.335 53.050 0.052 0.000 0.965 1019 N CB 1.077 39.597 38.487 0.055 0.000 1.077 1019 N HN 0.656 nan 8.380 nan 0.000 0.462 1020 L N 0.430 121.678 121.223 0.041 0.000 2.642 1020 L HA 0.322 4.662 4.340 -0.001 0.000 0.233 1020 L C 0.536 177.435 176.870 0.048 0.000 1.077 1020 L CA 0.286 55.143 54.840 0.028 0.000 0.879 1020 L CB 0.394 42.457 42.059 0.007 0.000 1.151 1020 L HN 0.520 nan 8.230 nan 0.000 0.495 1021 E N -0.370 119.875 120.200 0.077 0.000 2.347 1021 E HA 0.142 4.491 4.350 -0.001 0.000 0.285 1021 E C -1.406 175.277 176.600 0.139 0.000 0.925 1021 E CA -0.619 55.840 56.400 0.099 0.000 0.779 1021 E CB 1.535 31.286 29.700 0.085 0.000 1.233 1021 E HN 0.071 nan 8.360 nan 0.000 0.414 1022 H N 4.710 123.807 119.070 0.045 0.000 2.668 1022 H HA 0.369 4.924 4.556 -0.001 0.000 0.303 1022 H C -0.984 174.370 175.328 0.044 0.000 1.074 1022 H CA -0.002 56.069 56.048 0.039 0.000 1.406 1022 H CB 0.405 30.180 29.762 0.022 0.000 1.442 1022 H HN 0.340 nan 8.280 nan 0.000 0.482 1023 L N 5.043 126.063 121.223 -0.338 0.000 2.275 1023 L HA 0.210 4.549 4.340 -0.001 0.000 0.288 1023 L C 0.158 176.844 176.870 -0.307 0.000 1.046 1023 L CA -0.889 53.814 54.840 -0.229 0.000 0.805 1023 L CB 0.943 42.943 42.059 -0.098 0.000 1.193 1023 L HN 0.657 nan 8.230 nan 0.000 0.426 1024 D N 2.689 122.991 120.400 -0.163 0.000 2.488 1024 D HA 0.105 4.744 4.640 -0.001 0.000 0.238 1024 D C 1.209 177.464 176.300 -0.075 0.000 1.138 1024 D CA 1.290 55.229 54.000 -0.102 0.000 0.873 1024 D CB 1.207 41.984 40.800 -0.039 0.000 1.183 1024 D HN 0.844 nan 8.370 nan 0.000 0.458 1025 G N 3.030 111.802 108.800 -0.047 0.000 2.180 1025 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.263 1025 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.263 1025 G C 0.763 175.680 174.900 0.028 0.000 0.989 1025 G CA 0.552 45.648 45.100 -0.007 0.000 0.692 1025 G HN 0.670 nan 8.290 nan 0.000 0.526 1026 M N -2.823 116.750 119.600 -0.045 0.000 2.302 1026 M HA -0.190 4.289 4.480 -0.001 0.000 0.200 1026 M C 0.002 176.312 176.300 0.018 0.000 0.366 1026 M CA 0.848 56.111 55.300 -0.060 0.000 0.440 1026 M CB -2.006 30.548 32.600 -0.078 0.000 1.475 1026 M HN 0.202 nan 8.290 nan 0.000 0.905 1027 V N 0.761 120.666 119.914 -0.015 0.000 2.384 1027 V HA 0.719 4.838 4.120 -0.001 0.000 0.287 1027 V C 0.611 176.612 176.094 -0.155 0.000 1.020 1027 V CA -0.394 61.890 62.300 -0.028 0.000 0.850 1027 V CB 1.836 33.637 31.823 -0.038 0.000 0.987 1027 V HN 0.426 nan 8.190 nan 0.000 0.436 1028 A N 8.435 131.085 122.820 -0.283 0.000 2.343 1028 A HA 0.688 5.007 4.320 -0.001 0.000 0.305 1028 A C -2.075 175.227 177.584 -0.470 0.000 1.308 1028 A CA -1.312 50.330 52.037 -0.659 0.000 0.949 1028 A CB -0.057 18.296 19.000 -1.078 0.000 1.148 1028 A HN 0.614 nan 8.150 nan 0.000 0.545 1029 P HA 0.182 nan 4.420 nan 0.000 0.274 1029 P C -0.314 176.959 177.300 -0.046 0.000 1.237 1029 P CA -0.173 62.864 63.100 -0.105 0.000 0.793 1029 P CB 0.785 32.478 31.700 -0.011 0.000 0.977 1030 E N -0.299 119.899 120.200 -0.004 0.000 2.345 1030 E HA 0.284 4.633 4.350 -0.001 0.000 0.259 1030 E C 0.162 176.812 176.600 0.084 0.000 1.117 1030 E CA -0.958 55.470 56.400 0.046 0.000 0.913 1030 E CB 0.680 30.390 29.700 0.017 0.000 1.057 1030 E HN 0.316 nan 8.360 nan 0.000 0.432 1031 V N -1.429 118.541 119.914 0.093 0.000 3.134 1031 V HA 0.334 4.453 4.120 -0.001 0.000 0.313 1031 V C 0.144 176.241 176.094 0.003 0.000 1.069 1031 V CA -1.024 61.315 62.300 0.066 0.000 1.048 1031 V CB 1.162 33.028 31.823 0.072 0.000 1.119 1031 V HN 0.744 nan 8.190 nan 0.000 0.461 1032 c N 2.205 120.802 118.600 -0.006 0.000 2.500 1032 c HA 0.471 5.041 4.570 -0.001 0.000 0.367 1032 c C -2.121 171.911 174.090 -0.097 0.000 1.283 1032 c CA -0.424 55.882 56.329 -0.038 0.000 2.456 1032 c CB 0.126 42.631 42.510 -0.008 0.000 2.457 1032 c HN 0.817 nan 8.230 nan 0.000 0.632 1033 P HA 0.053 nan 4.420 nan 0.000 0.265 1033 P C 0.264 177.400 177.300 -0.273 0.000 1.193 1033 P CA 0.904 63.862 63.100 -0.236 0.000 0.765 1033 P CB 0.185 31.727 31.700 -0.264 0.000 0.823 1034 M N -1.426 117.962 119.600 -0.352 0.000 2.939 1034 M HA -0.211 4.269 4.480 -0.001 0.000 0.194 1034 M C 0.251 176.531 176.300 -0.033 0.000 0.617 1034 M CA 1.190 56.260 55.300 -0.384 0.000 0.734 1034 M CB -2.437 29.606 32.600 -0.927 0.000 2.637 1034 M HN 0.498 nan 8.290 nan 0.000 0.316 1035 E N 0.470 120.654 120.200 -0.027 0.000 2.227 1035 E HA 0.600 4.949 4.350 -0.001 0.000 0.268 1035 E C -0.656 176.010 176.600 0.111 0.000 0.990 1035 E CA -0.210 56.259 56.400 0.116 0.000 0.856 1035 E CB 1.574 31.307 29.700 0.055 0.000 1.159 1035 E HN 0.187 nan 8.360 nan 0.000 0.401 1036 T N 1.464 116.097 114.554 0.131 0.000 2.921 1036 T HA 0.686 5.036 4.350 -0.001 0.000 0.297 1036 T C -1.265 173.439 174.700 0.006 0.000 1.013 1036 T CA -0.547 61.630 62.100 0.129 0.000 0.990 1036 T CB 1.484 70.439 68.868 0.145 0.000 1.023 1036 T HN 0.620 nan 8.240 nan 0.000 0.447 1037 A N 1.961 124.789 122.820 0.012 0.000 2.469 1037 A HA 1.009 5.328 4.320 -0.001 0.000 0.299 1037 A C -1.031 176.447 177.584 -0.177 0.000 1.098 1037 A CA -0.942 51.003 52.037 -0.152 0.000 0.737 1037 A CB 1.531 20.383 19.000 -0.248 0.000 1.312 1037 A HN 1.113 nan 8.150 nan 0.000 0.414 1038 A N 0.163 122.790 122.820 -0.321 0.000 2.365 1038 A HA 0.823 5.142 4.320 -0.001 0.000 0.318 1038 A C -1.489 175.925 177.584 -0.283 0.000 1.091 1038 A CA -0.351 51.624 52.037 -0.102 0.000 0.763 1038 A CB 0.727 19.703 19.000 -0.039 0.000 1.248 1038 A HN 0.845 nan 8.150 nan 0.000 0.442 1039 Y N 0.131 120.642 120.300 0.353 0.000 2.524 1039 Y HA 0.575 5.125 4.550 -0.001 0.000 0.347 1039 Y C -0.291 175.771 175.900 0.271 0.000 1.005 1039 Y CA -0.903 57.351 58.100 0.257 0.000 1.025 1039 Y CB 2.634 41.203 38.460 0.181 0.000 1.275 1039 Y HN 0.426 nan 8.280 nan 0.000 0.460 1040 V N 2.313 122.419 119.914 0.320 0.000 2.531 1040 V HA 0.485 4.605 4.120 -0.001 0.000 0.301 1040 V C -0.721 175.451 176.094 0.130 0.000 1.034 1040 V CA -0.869 61.515 62.300 0.141 0.000 0.865 1040 V CB 1.805 33.650 31.823 0.036 0.000 0.995 1040 V HN 0.812 nan 8.190 nan 0.000 0.424 1041 S N 3.336 119.119 115.700 0.138 0.000 2.475 1041 S HA 0.743 5.212 4.470 -0.001 0.000 0.298 1041 S C -0.307 174.231 174.600 -0.103 0.000 1.119 1041 S CA -0.598 57.611 58.200 0.014 0.000 1.085 1041 S CB 1.689 64.966 63.200 0.128 0.000 1.028 1041 S HN 0.557 nan 8.310 nan 0.000 0.489 1042 S N 2.572 118.090 115.700 -0.304 0.000 2.472 1042 S HA 0.540 5.009 4.470 -0.001 0.000 0.303 1042 S C -0.860 173.422 174.600 -0.529 0.000 1.099 1042 S CA -0.771 57.286 58.200 -0.238 0.000 1.077 1042 S CB 0.500 63.635 63.200 -0.109 0.000 1.031 1042 S HN 0.787 nan 8.310 nan 0.000 0.487 1043 H N 0.625 119.684 119.070 -0.018 0.000 2.717 1043 H HA 0.412 4.967 4.556 -0.001 0.000 0.366 1043 H C -0.186 175.138 175.328 -0.008 0.000 1.132 1043 H CA -0.621 55.418 56.048 -0.016 0.000 1.180 1043 H CB 1.721 31.475 29.762 -0.013 0.000 1.678 1043 H HN 0.538 nan 8.280 nan 0.000 0.537 1044 S N 0.000 115.748 115.700 0.080 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.230 58.200 0.050 0.000 1.107 1044 S CB 0.000 63.220 63.200 0.034 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517