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 1tqu_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 0.000 174.104 174.090 0.023 0.000 1.270 31 c CA 0.000 56.338 56.329 0.015 0.000 1.963 31 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 32 Q N 1.442 121.273 119.800 0.052 0.000 2.432 32 Q HA 0.145 4.484 4.340 -0.001 0.000 0.264 32 Q C -0.159 175.872 176.000 0.052 0.000 1.035 32 Q CA 0.493 56.341 55.803 0.076 0.000 0.908 32 Q CB 0.776 29.601 28.738 0.144 0.000 1.280 32 Q HN 0.689 nan 8.270 nan 0.000 0.455 33 D N 1.099 121.533 120.400 0.057 0.000 2.249 33 D HA 0.115 4.754 4.640 -0.001 0.000 0.246 33 D C 0.283 176.626 176.300 0.072 0.000 1.114 33 D CA -0.349 53.661 54.000 0.017 0.000 0.854 33 D CB 1.469 42.279 40.800 0.016 0.000 1.132 33 D HN 0.356 nan 8.370 nan 0.000 0.461 34 V N 1.990 121.895 119.914 -0.015 0.000 3.542 34 V HA 0.138 4.258 4.120 -0.001 0.000 0.296 34 V C 1.056 177.178 176.094 0.046 0.000 1.364 34 V CA -0.032 62.326 62.300 0.097 0.000 1.118 34 V CB 0.227 31.935 31.823 -0.192 0.000 0.972 34 V HN 0.390 nan 8.190 nan 0.000 0.430 35 V N 0.199 120.057 119.914 -0.094 0.000 2.806 35 V HA 0.072 4.191 4.120 -0.001 0.000 0.239 35 V C 2.306 178.380 176.094 -0.034 0.000 1.113 35 V CA 1.355 63.558 62.300 -0.162 0.000 1.137 35 V CB -0.008 31.671 31.823 -0.241 0.000 0.865 35 V HN 0.499 nan 8.190 nan 0.000 0.482 36 Q N -0.137 119.686 119.800 0.039 0.000 2.392 36 Q HA 0.122 4.462 4.340 -0.001 0.000 0.203 36 Q C -0.521 175.562 176.000 0.139 0.000 0.917 36 Q CA 0.330 56.181 55.803 0.080 0.000 0.939 36 Q CB 0.484 29.241 28.738 0.031 0.000 1.063 36 Q HN 0.511 nan 8.270 nan 0.000 0.516 37 D N 1.056 121.570 120.400 0.190 0.000 2.425 37 D HA 0.201 4.841 4.640 -0.001 0.000 0.240 37 D C -0.725 175.689 176.300 0.189 0.000 1.080 37 D CA -0.353 53.741 54.000 0.156 0.000 0.836 37 D CB 2.384 43.254 40.800 0.117 0.000 1.125 37 D HN -0.186 nan 8.370 nan 0.000 0.525 38 V N 4.430 124.417 119.914 0.122 0.000 2.470 38 V HA 0.154 4.273 4.120 -0.001 0.000 0.276 38 V C -1.885 174.186 176.094 -0.039 0.000 1.040 38 V CA -1.174 61.121 62.300 -0.009 0.000 1.008 38 V CB 0.696 32.517 31.823 -0.004 0.000 0.990 38 V HN 0.317 nan 8.190 nan 0.000 0.477 39 P HA 0.076 nan 4.420 nan 0.000 0.269 39 P C -0.530 176.740 177.300 -0.049 0.000 1.209 39 P CA -0.104 62.965 63.100 -0.053 0.000 0.776 39 P CB 0.361 32.012 31.700 -0.082 0.000 0.876 40 N N 2.688 121.376 118.700 -0.021 0.000 2.439 40 N HA 0.345 5.085 4.740 -0.001 0.000 0.249 40 N C -1.132 174.370 175.510 -0.014 0.000 1.003 40 N CA -0.489 52.552 53.050 -0.016 0.000 0.942 40 N CB 0.171 38.658 38.487 -0.001 0.000 1.115 40 N HN 0.104 nan 8.380 nan 0.000 0.505 41 V N 0.419 120.318 119.914 -0.025 0.000 3.001 41 V HA 0.533 4.652 4.120 -0.001 0.000 0.314 41 V C 0.542 176.624 176.094 -0.019 0.000 1.099 41 V CA -0.770 61.519 62.300 -0.017 0.000 0.989 41 V CB 2.017 33.820 31.823 -0.034 0.000 1.040 41 V HN 0.428 nan 8.190 nan 0.000 0.434 42 D N 0.871 121.268 120.400 -0.005 0.000 2.144 42 D HA 0.014 4.654 4.640 -0.001 0.000 0.200 42 D C 0.507 176.781 176.300 -0.042 0.000 0.978 42 D CA 1.591 55.586 54.000 -0.009 0.000 0.833 42 D CB 0.452 41.264 40.800 0.019 0.000 0.961 42 D HN 0.415 nan 8.370 nan 0.000 0.470 43 V N 1.444 121.311 119.914 -0.079 0.000 2.483 43 V HA 0.213 4.333 4.120 -0.001 0.000 0.297 43 V C -0.351 175.652 176.094 -0.151 0.000 1.027 43 V CA -0.754 61.471 62.300 -0.126 0.000 0.855 43 V CB 2.422 34.126 31.823 -0.198 0.000 0.995 43 V HN -0.085 nan 8.190 nan 0.000 0.424 44 Q N 4.557 124.280 119.800 -0.129 0.000 2.341 44 Q HA 0.432 4.772 4.340 -0.001 0.000 0.268 44 Q C 0.446 176.355 176.000 -0.152 0.000 1.013 44 Q CA -0.697 55.022 55.803 -0.140 0.000 0.798 44 Q CB 1.877 30.551 28.738 -0.106 0.000 1.253 44 Q HN 0.677 nan 8.270 nan 0.000 0.457 45 M N 3.030 122.493 119.600 -0.229 0.000 2.149 45 M HA -0.175 4.305 4.480 -0.001 0.000 0.261 45 M C 1.630 177.839 176.300 -0.153 0.000 1.064 45 M CA 1.077 56.229 55.300 -0.245 0.000 1.102 45 M CB -0.862 31.452 32.600 -0.476 0.000 1.369 45 M HN 0.587 nan 8.290 nan 0.000 0.408 46 L N 0.548 121.670 121.223 -0.169 0.000 2.093 46 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 46 L C 2.471 179.341 176.870 0.001 0.000 1.085 46 L CA 1.763 56.537 54.840 -0.109 0.000 0.755 46 L CB -0.596 41.369 42.059 -0.158 0.000 0.904 46 L HN 0.263 nan 8.230 nan 0.000 0.435 47 E N -0.346 119.839 120.200 -0.026 0.000 2.047 47 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 47 E C 2.187 178.805 176.600 0.030 0.000 0.987 47 E CA 1.435 57.833 56.400 -0.004 0.000 0.799 47 E CB -0.295 29.387 29.700 -0.030 0.000 0.752 47 E HN 0.447 nan 8.360 nan 0.000 0.449 48 L N 0.529 121.770 121.223 0.029 0.000 2.042 48 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 48 L C 2.263 179.206 176.870 0.123 0.000 1.076 48 L CA 1.669 56.534 54.840 0.041 0.000 0.749 48 L CB -0.940 41.131 42.059 0.020 0.000 0.893 48 L HN 0.124 nan 8.230 nan 0.000 0.432 49 Y N -0.073 120.239 120.300 0.020 0.000 2.224 49 Y HA -0.232 4.318 4.550 -0.001 0.000 0.289 49 Y C 2.549 178.555 175.900 0.176 0.000 1.146 49 Y CA 1.686 59.892 58.100 0.177 0.000 1.182 49 Y CB -0.620 37.933 38.460 0.156 0.000 0.983 49 Y HN 0.366 nan 8.280 nan 0.000 0.524 50 D N -0.476 120.042 120.400 0.196 0.000 2.144 50 D HA -0.133 4.507 4.640 -0.001 0.000 0.199 50 D C 2.151 178.496 176.300 0.075 0.000 0.984 50 D CA 1.255 55.320 54.000 0.109 0.000 0.834 50 D CB 0.024 40.862 40.800 0.062 0.000 0.955 50 D HN 0.198 nan 8.370 nan 0.000 0.465 51 R N -1.102 119.428 120.500 0.050 0.000 2.112 51 R HA 0.173 4.513 4.340 -0.001 0.000 0.216 51 R C 0.862 177.152 176.300 -0.018 0.000 1.080 51 R CA -0.023 56.082 56.100 0.009 0.000 0.996 51 R CB 0.082 30.371 30.300 -0.018 0.000 0.902 51 R HN 0.226 nan 8.270 nan 0.000 0.449 52 M N 0.385 119.948 119.600 -0.062 0.000 2.252 52 M HA -0.079 4.401 4.480 -0.001 0.000 0.333 52 M C 1.499 177.767 176.300 -0.053 0.000 1.111 52 M CA 0.350 55.518 55.300 -0.220 0.000 1.140 52 M CB 1.312 33.504 32.600 -0.680 0.000 1.538 52 M HN 0.074 nan 8.290 nan 0.000 0.448 53 S N 1.604 117.244 115.700 -0.098 0.000 2.486 53 S HA 0.059 4.528 4.470 -0.001 0.000 0.220 53 S C 0.674 175.404 174.600 0.216 0.000 1.011 53 S CA -0.096 58.145 58.200 0.068 0.000 0.921 53 S CB -0.116 63.089 63.200 0.009 0.000 0.785 53 S HN 0.773 nan 8.310 nan 0.000 0.517 54 F N 0.716 120.595 119.950 -0.119 0.000 3.084 54 F HA -0.136 4.390 4.527 -0.000 0.000 0.286 54 F C 0.180 176.002 175.800 0.037 0.000 0.855 54 F CA 0.393 58.332 58.000 -0.100 0.000 1.091 54 F CB -1.958 36.951 39.000 -0.151 0.000 1.177 54 F HN 0.115 nan 8.300 nan 0.000 0.542 55 K N 1.158 121.646 120.400 0.147 0.000 2.350 55 K HA 0.162 4.482 4.320 -0.001 0.000 0.279 55 K C 0.236 176.954 176.600 0.198 0.000 1.027 55 K CA -0.126 56.251 56.287 0.150 0.000 0.969 55 K CB 0.570 33.116 32.500 0.077 0.000 0.954 55 K HN 0.074 nan 8.250 nan 0.000 0.474 56 D N 3.498 124.026 120.400 0.213 0.000 2.524 56 D HA 0.225 4.864 4.640 -0.001 0.000 0.222 56 D C -0.543 175.799 176.300 0.070 0.000 1.142 56 D CA -0.343 53.779 54.000 0.203 0.000 0.973 56 D CB -0.417 40.505 40.800 0.202 0.000 1.025 56 D HN 0.322 nan 8.370 nan 0.000 0.519 57 I N 1.414 122.012 120.570 0.048 0.000 2.428 57 I HA 0.137 4.306 4.170 -0.001 0.000 0.296 57 I C 0.538 176.643 176.117 -0.020 0.000 0.985 57 I CA -0.878 60.429 61.300 0.012 0.000 1.260 57 I CB 1.370 39.378 38.000 0.013 0.000 1.389 57 I HN 0.152 nan 8.210 nan 0.000 0.484 58 D N 4.804 125.191 120.400 -0.021 0.000 2.349 58 D HA 0.044 4.684 4.640 -0.001 0.000 0.266 58 D C 0.943 177.229 176.300 -0.024 0.000 1.293 58 D CA 0.178 54.161 54.000 -0.030 0.000 0.926 58 D CB 1.215 42.006 40.800 -0.015 0.000 1.090 58 D HN 0.721 nan 8.370 nan 0.000 0.502 59 G N 2.451 111.220 108.800 -0.052 0.000 3.088 59 G HA2 0.420 4.380 3.960 -0.001 0.000 0.212 59 G HA3 0.420 4.380 3.960 -0.001 0.000 0.212 59 G C 0.901 175.803 174.900 0.004 0.000 1.173 59 G CA 0.371 45.446 45.100 -0.042 0.000 0.779 59 G HN 0.905 nan 8.290 nan 0.000 0.540 60 G N -0.556 108.251 108.800 0.011 0.000 2.475 60 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.223 60 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.223 60 G C 1.231 176.154 174.900 0.039 0.000 1.201 60 G CA 0.741 45.859 45.100 0.031 0.000 0.962 60 G HN 1.134 nan 8.290 nan 0.000 0.586 61 V N -3.508 116.427 119.914 0.035 0.000 2.380 61 V HA 0.017 4.137 4.120 -0.001 0.000 0.251 61 V C 1.472 177.601 176.094 0.058 0.000 1.063 61 V CA 2.508 64.811 62.300 0.005 0.000 1.055 61 V CB -0.584 31.208 31.823 -0.052 0.000 0.657 61 V HN 1.463 nan 8.190 nan 0.000 0.455 62 W N 2.585 123.804 121.300 -0.134 0.000 2.365 62 W HA 0.440 5.099 4.660 -0.001 0.000 0.371 62 W C 1.115 177.604 176.519 -0.049 0.000 1.006 62 W CA -1.776 55.486 57.345 -0.138 0.000 1.528 62 W CB 0.280 29.638 29.460 -0.171 0.000 1.497 62 W HN 0.072 nan 8.180 nan 0.000 0.367 63 K N 2.695 123.191 120.400 0.160 0.000 2.160 63 K HA -0.201 4.119 4.320 -0.001 0.000 0.206 63 K C 0.935 177.461 176.600 -0.123 0.000 1.047 63 K CA 1.574 57.860 56.287 -0.001 0.000 0.930 63 K CB 0.066 32.557 32.500 -0.015 0.000 0.720 63 K HN 0.578 nan 8.250 nan 0.000 0.450 64 Q N -0.870 118.824 119.800 -0.176 0.000 2.188 64 Q HA 0.169 4.509 4.340 -0.001 0.000 0.212 64 Q C 0.848 176.503 176.000 -0.575 0.000 0.846 64 Q CA -0.257 55.412 55.803 -0.223 0.000 0.989 64 Q CB 1.257 29.997 28.738 0.005 0.000 1.114 64 Q HN 0.244 nan 8.270 nan 0.000 0.488 65 G N 0.620 108.658 108.800 -1.271 0.000 3.364 65 G HA2 0.514 4.473 3.960 -0.001 0.000 0.191 65 G HA3 0.514 4.473 3.960 -0.001 0.000 0.191 65 G C -1.357 173.246 174.900 -0.495 0.000 1.352 65 G CA -0.226 43.846 45.100 -1.712 0.000 0.758 65 G HN 0.361 nan 8.290 nan 0.000 0.730 66 W N -1.287 119.723 121.300 -0.483 0.000 2.959 66 W HA 0.603 5.263 4.660 -0.000 0.000 0.358 66 W C -1.506 175.090 176.519 0.128 0.000 1.228 66 W CA -1.157 56.125 57.345 -0.105 0.000 1.183 66 W CB 0.585 29.998 29.460 -0.079 0.000 1.467 66 W HN 0.196 nan 8.180 nan 0.000 0.578 67 N N 2.260 121.108 118.700 0.247 0.000 2.399 67 N HA 0.219 4.959 4.740 -0.001 0.000 0.259 67 N C -0.232 175.403 175.510 0.208 0.000 1.160 67 N CA 0.046 53.191 53.050 0.158 0.000 0.946 67 N CB 0.529 39.109 38.487 0.156 0.000 1.156 67 N HN 0.400 nan 8.380 nan 0.000 0.489 68 I N 2.048 122.639 120.570 0.035 0.000 2.588 68 I HA 0.025 4.195 4.170 -0.001 0.000 0.283 68 I C 0.797 177.069 176.117 0.260 0.000 1.119 68 I CA 0.312 61.708 61.300 0.159 0.000 1.419 68 I CB 0.483 38.530 38.000 0.079 0.000 1.394 68 I HN 0.145 nan 8.210 nan 0.000 0.562 69 K N 5.833 126.424 120.400 0.319 0.000 2.328 69 K HA 0.604 4.924 4.320 -0.001 0.000 0.246 69 K C -1.361 175.398 176.600 0.265 0.000 0.955 69 K CA -0.696 55.706 56.287 0.192 0.000 0.817 69 K CB 2.368 34.946 32.500 0.129 0.000 1.208 69 K HN 0.482 nan 8.250 nan 0.000 0.432 70 Y N -2.036 118.352 120.300 0.147 0.000 2.609 70 Y HA 0.447 4.997 4.550 -0.001 0.000 0.342 70 Y C -1.079 174.890 175.900 0.116 0.000 1.058 70 Y CA -1.540 56.648 58.100 0.146 0.000 1.055 70 Y CB 1.112 39.678 38.460 0.177 0.000 1.292 70 Y HN 0.388 nan 8.280 nan 0.000 0.476 71 D N 3.739 124.306 120.400 0.278 0.000 2.347 71 D HA 0.264 4.903 4.640 -0.001 0.000 0.235 71 D C -1.582 174.888 176.300 0.283 0.000 1.149 71 D CA -2.742 51.358 54.000 0.165 0.000 0.850 71 D CB 1.468 42.331 40.800 0.105 0.000 1.061 71 D HN 0.444 nan 8.370 nan 0.000 0.487 72 P HA -0.155 nan 4.420 nan 0.000 0.218 72 P C 1.333 178.776 177.300 0.239 0.000 1.146 72 P CA 0.829 64.128 63.100 0.331 0.000 0.813 72 P CB 0.315 32.145 31.700 0.217 0.000 0.778 73 L N -0.806 120.505 121.223 0.146 0.000 2.599 73 L HA 0.078 4.418 4.340 -0.001 0.000 0.230 73 L C 2.709 179.612 176.870 0.054 0.000 1.141 73 L CA 0.401 55.301 54.840 0.100 0.000 0.877 73 L CB -0.746 41.351 42.059 0.062 0.000 1.009 73 L HN -0.026 nan 8.230 nan 0.000 0.447 74 K N 0.649 121.059 120.400 0.017 0.000 2.057 74 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 74 K C 0.056 176.492 176.600 -0.274 0.000 1.049 74 K CA 1.184 57.360 56.287 -0.186 0.000 0.931 74 K CB 0.034 32.344 32.500 -0.316 0.000 0.714 74 K HN 0.125 nan 8.250 nan 0.000 0.440 75 Y N 0.841 121.263 120.300 0.203 0.000 2.361 75 Y HA 0.202 4.752 4.550 0.000 0.000 0.332 75 Y C 0.018 176.003 175.900 0.142 0.000 1.101 75 Y CA -0.894 57.324 58.100 0.196 0.000 1.137 75 Y CB 1.367 39.892 38.460 0.109 0.000 1.207 75 Y HN 0.301 nan 8.280 nan 0.000 0.463 76 N N -0.293 118.567 118.700 0.267 0.000 3.277 76 N HA 0.471 5.210 4.740 -0.001 0.000 0.278 76 N C 0.052 175.597 175.510 0.059 0.000 1.544 76 N CA -0.405 52.725 53.050 0.135 0.000 0.869 76 N CB 0.392 38.940 38.487 0.102 0.000 1.584 76 N HN 0.478 nan 8.380 nan 0.000 0.564 77 A N -1.064 121.708 122.820 -0.080 0.000 1.997 77 A HA -0.236 4.083 4.320 -0.001 0.000 0.221 77 A C 1.068 178.492 177.584 -0.268 0.000 1.172 77 A CA 1.613 53.514 52.037 -0.226 0.000 0.645 77 A CB -1.124 17.645 19.000 -0.384 0.000 0.813 77 A HN 0.707 nan 8.150 nan 0.000 0.454 78 H N -2.653 116.478 119.070 0.100 0.000 2.551 78 H HA 0.127 4.683 4.556 -0.001 0.000 0.271 78 H C 0.014 175.453 175.328 0.185 0.000 0.984 78 H CA 0.688 56.801 56.048 0.107 0.000 1.164 78 H CB 0.136 29.948 29.762 0.084 0.000 1.437 78 H HN 0.696 nan 8.280 nan 0.000 0.550 79 H N 0.688 119.845 119.070 0.144 0.000 2.852 79 H HA 0.241 4.797 4.556 -0.000 0.000 0.274 79 H C -0.750 174.726 175.328 0.246 0.000 1.321 79 H CA -0.282 55.868 56.048 0.170 0.000 1.582 79 H CB 0.650 30.500 29.762 0.147 0.000 1.699 79 H HN 0.097 nan 8.280 nan 0.000 0.546 80 K N 2.251 122.640 120.400 -0.018 0.000 2.090 80 K HA 0.240 4.559 4.320 -0.001 0.000 0.249 80 K C -0.380 176.043 176.600 -0.294 0.000 0.995 80 K CA -1.102 55.144 56.287 -0.069 0.000 0.914 80 K CB 1.825 34.260 32.500 -0.108 0.000 1.057 80 K HN 0.161 nan 8.250 nan 0.000 0.462 81 L N 2.284 123.178 121.223 -0.549 0.000 2.278 81 L HA 0.177 4.517 4.340 -0.001 0.000 0.287 81 L C -0.934 175.640 176.870 -0.493 0.000 1.072 81 L CA 0.221 54.582 54.840 -0.798 0.000 0.819 81 L CB 0.145 41.548 42.059 -1.094 0.000 1.176 81 L HN 0.370 nan 8.230 nan 0.000 0.435 82 K N 4.460 124.603 120.400 -0.428 0.000 2.248 82 K HA 0.525 4.845 4.320 -0.001 0.000 0.281 82 K C -1.087 175.155 176.600 -0.597 0.000 1.054 82 K CA -0.536 55.458 56.287 -0.488 0.000 0.903 82 K CB 1.496 33.762 32.500 -0.389 0.000 1.077 82 K HN 0.406 nan 8.250 nan 0.000 0.474 83 V N 4.722 124.167 119.914 -0.782 0.000 2.417 83 V HA 0.383 4.503 4.120 -0.001 0.000 0.291 83 V C -0.806 174.725 176.094 -0.939 0.000 1.024 83 V CA -0.799 60.997 62.300 -0.840 0.000 0.861 83 V CB 0.738 31.881 31.823 -1.134 0.000 0.985 83 V HN 0.565 nan 8.190 nan 0.000 0.436 84 F N 3.439 123.136 119.950 -0.421 0.000 2.375 84 F HA 0.496 5.023 4.527 -0.001 0.000 0.361 84 F C 0.151 175.775 175.800 -0.294 0.000 1.117 84 F CA -0.766 57.045 58.000 -0.315 0.000 1.037 84 F CB 1.809 40.699 39.000 -0.182 0.000 1.192 84 F HN 0.192 nan 8.300 nan 0.000 0.452 85 V N 5.183 125.066 119.914 -0.052 0.000 2.385 85 V HA 0.244 4.364 4.120 -0.001 0.000 0.269 85 V C -0.172 176.033 176.094 0.184 0.000 1.043 85 V CA -0.615 61.723 62.300 0.064 0.000 0.906 85 V CB 1.150 33.081 31.823 0.180 0.000 0.995 85 V HN 0.428 nan 8.190 nan 0.000 0.467 86 V N 8.295 128.268 119.914 0.097 0.000 2.294 86 V HA 0.314 4.434 4.120 -0.001 0.000 0.272 86 V C -2.358 173.790 176.094 0.088 0.000 1.027 86 V CA -1.987 60.344 62.300 0.052 0.000 0.823 86 V CB 1.331 33.099 31.823 -0.092 0.000 1.030 86 V HN 0.717 nan 8.190 nan 0.000 0.457 87 P HA 0.353 nan 4.420 nan 0.000 0.271 87 P C -0.868 176.455 177.300 0.039 0.000 1.216 87 P CA 0.229 63.312 63.100 -0.027 0.000 0.771 87 P CB 0.395 31.886 31.700 -0.348 0.000 0.864 88 H N -1.079 118.036 119.070 0.076 0.000 2.990 88 H HA 0.798 5.353 4.556 -0.001 0.000 0.336 88 H C -1.506 173.953 175.328 0.218 0.000 1.306 88 H CA -1.117 54.867 56.048 -0.108 0.000 1.118 88 H CB 0.935 30.556 29.762 -0.235 0.000 1.856 88 H HN 0.201 nan 8.280 nan 0.000 0.538 89 S N 0.619 116.357 115.700 0.065 0.000 2.720 89 S HA 0.217 4.686 4.470 -0.001 0.000 0.278 89 S C -1.846 172.686 174.600 -0.113 0.000 1.172 89 S CA -0.675 57.601 58.200 0.126 0.000 1.019 89 S CB 0.262 63.719 63.200 0.429 0.000 1.049 89 S HN 0.852 nan 8.310 nan 0.000 0.483 90 H N 4.424 123.395 119.070 -0.164 0.000 2.864 90 H HA 0.416 4.972 4.556 -0.001 0.000 0.281 90 H C -0.132 174.754 175.328 -0.735 0.000 1.093 90 H CA 0.329 56.170 56.048 -0.345 0.000 1.453 90 H CB 0.194 29.789 29.762 -0.279 0.000 1.462 90 H HN 0.556 nan 8.280 nan 0.000 0.480 91 N N 5.507 123.524 118.700 -1.139 0.000 2.564 91 N HA 0.056 4.795 4.740 -0.001 0.000 0.248 91 N C -1.159 173.890 175.510 -0.767 0.000 0.986 91 N CA -0.598 51.637 53.050 -1.359 0.000 0.921 91 N CB 1.033 39.048 38.487 -0.787 0.000 1.136 91 N HN 0.643 nan 8.380 nan 0.000 0.509 92 D N 2.498 122.485 120.400 -0.689 0.000 2.343 92 D HA 0.112 4.751 4.640 -0.001 0.000 0.255 92 D C -2.069 174.295 176.300 0.106 0.000 1.187 92 D CA -0.967 52.898 54.000 -0.225 0.000 0.875 92 D CB 1.459 42.391 40.800 0.220 0.000 1.136 92 D HN 0.174 nan 8.370 nan 0.000 0.469 93 P HA 0.186 nan 4.420 nan 0.000 0.231 93 P C -0.095 177.430 177.300 0.374 0.000 1.756 93 P CA 0.099 63.213 63.100 0.024 0.000 0.990 93 P CB 0.179 31.742 31.700 -0.228 0.000 1.973 94 G N 0.362 109.563 108.800 0.669 0.000 2.911 94 G HA2 0.012 3.972 3.960 -0.001 0.000 0.686 94 G HA3 0.012 3.972 3.960 -0.001 0.000 0.686 94 G C -1.077 174.377 174.900 0.924 0.000 1.136 94 G CA -0.646 44.873 45.100 0.698 0.000 0.764 94 G HN 0.352 nan 8.290 nan 0.000 0.626 95 W N 1.956 123.599 121.300 0.572 0.000 4.511 95 W HA 0.207 4.867 4.660 -0.000 0.000 0.159 95 W C 1.701 178.399 176.519 0.299 0.000 3.471 95 W CA 1.288 58.936 57.345 0.506 0.000 1.173 95 W CB -0.867 28.985 29.460 0.653 0.000 2.090 95 W HN 0.960 nan 8.180 nan 0.000 0.393 96 I N 0.690 121.268 120.570 0.014 0.000 3.783 96 I HA 0.325 4.494 4.170 -0.001 0.000 0.310 96 I C 0.315 176.302 176.117 -0.216 0.000 1.274 96 I CA 0.423 61.543 61.300 -0.300 0.000 1.294 96 I CB 0.072 37.766 38.000 -0.509 0.000 1.051 96 I HN 0.000 nan 8.210 nan 0.000 0.435 97 Q N 1.668 121.167 119.800 -0.502 0.000 2.416 97 Q HA 0.390 4.730 4.340 -0.001 0.000 0.279 97 Q C -0.177 175.560 176.000 -0.439 0.000 1.101 97 Q CA -0.768 54.676 55.803 -0.597 0.000 0.830 97 Q CB 2.257 30.326 28.738 -1.115 0.000 1.402 97 Q HN 0.346 nan 8.270 nan 0.000 0.445 98 T N -2.166 112.242 114.554 -0.244 0.000 2.754 98 T HA 0.126 4.476 4.350 -0.001 0.000 0.286 98 T C 0.798 175.579 174.700 0.135 0.000 0.997 98 T CA -0.457 61.576 62.100 -0.111 0.000 0.982 98 T CB 0.282 69.114 68.868 -0.060 0.000 1.027 98 T HN 0.564 nan 8.240 nan 0.000 0.529 99 F N 1.177 121.187 119.950 0.101 0.000 2.065 99 F HA -0.123 4.404 4.527 -0.001 0.000 0.298 99 F C 2.500 178.480 175.800 0.301 0.000 1.112 99 F CA 2.356 60.495 58.000 0.231 0.000 1.212 99 F CB -0.403 38.628 39.000 0.052 0.000 0.975 99 F HN 0.774 nan 8.300 nan 0.000 0.476 100 E N 0.436 120.863 120.200 0.378 0.000 2.110 100 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 100 E C 2.015 178.666 176.600 0.084 0.000 0.988 100 E CA 1.842 58.398 56.400 0.259 0.000 0.804 100 E CB -0.302 29.542 29.700 0.240 0.000 0.745 100 E HN 0.622 nan 8.360 nan 0.000 0.458 101 E N -1.053 119.119 120.200 -0.047 0.000 2.051 101 E HA -0.199 4.150 4.350 -0.001 0.000 0.192 101 E C 1.907 178.242 176.600 -0.443 0.000 0.991 101 E CA 1.280 57.452 56.400 -0.380 0.000 0.799 101 E CB -0.274 29.260 29.700 -0.276 0.000 0.748 101 E HN 0.340 nan 8.360 nan 0.000 0.449 102 Y N -0.488 119.715 120.300 -0.162 0.000 2.181 102 Y HA -0.266 4.284 4.550 -0.001 0.000 0.288 102 Y C 2.231 178.033 175.900 -0.164 0.000 1.146 102 Y CA 1.369 59.358 58.100 -0.184 0.000 1.164 102 Y CB -0.794 37.642 38.460 -0.040 0.000 0.982 102 Y HN 0.195 nan 8.280 nan 0.000 0.515 103 Y N 0.847 121.153 120.300 0.010 0.000 2.165 103 Y HA -0.295 4.255 4.550 -0.001 0.000 0.286 103 Y C 2.289 178.155 175.900 -0.056 0.000 1.155 103 Y CA 1.912 59.971 58.100 -0.068 0.000 1.164 103 Y CB -0.331 38.093 38.460 -0.061 0.000 0.978 103 Y HN 0.072 nan 8.280 nan 0.000 0.513 104 Q N -0.620 119.109 119.800 -0.117 0.000 2.083 104 Q HA -0.162 4.178 4.340 -0.001 0.000 0.198 104 Q C 2.114 178.134 176.000 0.034 0.000 0.969 104 Q CA 2.149 57.879 55.803 -0.121 0.000 0.838 104 Q CB -0.582 28.149 28.738 -0.012 0.000 0.900 104 Q HN 0.781 nan 8.270 nan 0.000 0.436 105 H N -0.697 118.403 119.070 0.050 0.000 2.482 105 H HA 0.047 4.602 4.556 -0.001 0.000 0.286 105 H C 0.904 176.340 175.328 0.179 0.000 1.017 105 H CA 0.637 56.747 56.048 0.104 0.000 1.322 105 H CB 0.649 30.431 29.762 0.034 0.000 1.426 105 H HN 0.218 nan 8.280 nan 0.000 0.546 106 D N -0.965 119.552 120.400 0.194 0.000 3.081 106 D HA 0.005 4.645 4.640 -0.001 0.000 0.243 106 D C 1.777 178.129 176.300 0.087 0.000 1.388 106 D CA 0.480 54.581 54.000 0.168 0.000 1.245 106 D CB -0.044 40.766 40.800 0.016 0.000 1.319 106 D HN 0.056 nan 8.370 nan 0.000 0.377 107 T N 2.626 117.141 114.554 -0.064 0.000 2.720 107 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 107 T C 1.938 176.448 174.700 -0.318 0.000 1.037 107 T CA 1.637 63.652 62.100 -0.141 0.000 1.144 107 T CB -0.149 68.475 68.868 -0.408 0.000 0.864 107 T HN 0.257 nan 8.240 nan 0.000 0.444 108 K N 0.589 120.603 120.400 -0.644 0.000 2.211 108 K HA -0.126 4.194 4.320 -0.001 0.000 0.203 108 K C 1.927 178.243 176.600 -0.472 0.000 1.050 108 K CA 1.321 57.228 56.287 -0.633 0.000 0.945 108 K CB -0.341 31.613 32.500 -0.910 0.000 0.732 108 K HN 0.402 nan 8.250 nan 0.000 0.451 109 H N 1.126 120.123 119.070 -0.121 0.000 2.363 109 H HA 0.060 4.616 4.556 -0.001 0.000 0.301 109 H C 2.260 177.598 175.328 0.016 0.000 1.074 109 H CA 1.359 57.398 56.048 -0.015 0.000 1.354 109 H CB -0.133 29.646 29.762 0.028 0.000 1.397 109 H HN 0.183 nan 8.280 nan 0.000 0.516 110 I N 0.699 121.346 120.570 0.128 0.000 2.179 110 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 110 I C 2.399 178.539 176.117 0.038 0.000 1.088 110 I CA 1.068 62.501 61.300 0.220 0.000 1.357 110 I CB -0.230 37.966 38.000 0.326 0.000 1.051 110 I HN 0.095 nan 8.210 nan 0.000 0.409 111 L N -0.407 120.603 121.223 -0.355 0.000 2.109 111 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 111 L C 2.668 179.185 176.870 -0.589 0.000 1.086 111 L CA 0.951 55.332 54.840 -0.765 0.000 0.760 111 L CB -0.458 40.528 42.059 -1.787 0.000 0.910 111 L HN 0.155 nan 8.230 nan 0.000 0.437 112 S N 0.091 115.576 115.700 -0.359 0.000 2.368 112 S HA -0.139 4.331 4.470 -0.001 0.000 0.225 112 S C 1.722 176.301 174.600 -0.035 0.000 1.030 112 S CA 1.302 59.538 58.200 0.058 0.000 0.999 112 S CB -0.292 63.002 63.200 0.156 0.000 0.844 112 S HN 0.447 nan 8.310 nan 0.000 0.459 113 N N 1.747 120.418 118.700 -0.049 0.000 2.270 113 N HA 0.072 4.812 4.740 -0.001 0.000 0.181 113 N C 1.761 176.923 175.510 -0.580 0.000 1.016 113 N CA 1.080 54.030 53.050 -0.167 0.000 0.870 113 N CB -0.552 37.968 38.487 0.057 0.000 0.979 113 N HN 0.408 nan 8.380 nan 0.000 0.431 114 A N 1.113 123.672 122.820 -0.435 0.000 1.902 114 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 114 A C 2.186 179.490 177.584 -0.467 0.000 1.181 114 A CA 0.883 52.488 52.037 -0.720 0.000 0.623 114 A CB -0.675 18.206 19.000 -0.197 0.000 0.818 114 A HN 0.218 nan 8.150 nan 0.000 0.443 115 L N 0.248 121.347 121.223 -0.207 0.000 2.012 115 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 115 L C 2.471 179.279 176.870 -0.103 0.000 1.073 115 L CA 2.626 57.427 54.840 -0.066 0.000 0.748 115 L CB -0.753 41.341 42.059 0.059 0.000 0.891 115 L HN 0.518 nan 8.230 nan 0.000 0.431 116 R N -1.795 118.615 120.500 -0.151 0.000 2.066 116 R HA -0.210 4.130 4.340 -0.001 0.000 0.232 116 R C 2.516 178.722 176.300 -0.157 0.000 1.131 116 R CA 1.597 57.628 56.100 -0.115 0.000 0.955 116 R CB -0.676 29.562 30.300 -0.103 0.000 0.851 116 R HN 0.578 nan 8.270 nan 0.000 0.432 117 H N 0.604 119.380 119.070 -0.490 0.000 2.357 117 H HA -0.064 4.491 4.556 -0.001 0.000 0.301 117 H C 2.171 177.273 175.328 -0.376 0.000 1.082 117 H CA 1.893 57.632 56.048 -0.515 0.000 1.342 117 H CB 0.105 29.280 29.762 -0.978 0.000 1.389 117 H HN 0.229 nan 8.280 nan 0.000 0.511 118 L N -0.328 120.707 121.223 -0.313 0.000 2.056 118 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 118 L C 2.806 179.623 176.870 -0.088 0.000 1.078 118 L CA 1.210 55.949 54.840 -0.169 0.000 0.749 118 L CB -0.801 41.182 42.059 -0.126 0.000 0.901 118 L HN 0.412 nan 8.230 nan 0.000 0.433 119 H N 0.731 119.718 119.070 -0.138 0.000 2.319 119 H HA -0.209 4.346 4.556 -0.001 0.000 0.299 119 H C 1.279 176.547 175.328 -0.100 0.000 1.092 119 H CA 2.117 58.112 56.048 -0.087 0.000 1.302 119 H CB 0.189 29.908 29.762 -0.071 0.000 1.373 119 H HN 0.328 nan 8.280 nan 0.000 0.497 120 D N 0.366 120.664 120.400 -0.171 0.000 2.347 120 D HA -0.005 4.635 4.640 -0.001 0.000 0.215 120 D C -0.024 176.142 176.300 -0.225 0.000 0.976 120 D CA 0.495 54.363 54.000 -0.220 0.000 0.884 120 D CB 0.015 40.715 40.800 -0.167 0.000 0.915 120 D HN 0.324 nan 8.370 nan 0.000 0.526 121 N N 0.568 119.141 118.700 -0.211 0.000 2.716 121 N HA 0.140 4.880 4.740 -0.001 0.000 0.253 121 N C -2.198 173.273 175.510 -0.065 0.000 1.170 121 N CA -1.092 51.880 53.050 -0.131 0.000 0.807 121 N CB 2.356 40.753 38.487 -0.150 0.000 1.183 121 N HN -0.144 nan 8.380 nan 0.000 0.524 122 P HA -0.193 nan 4.420 nan 0.000 0.218 122 P C 1.361 178.678 177.300 0.028 0.000 1.146 122 P CA 1.274 64.358 63.100 -0.027 0.000 0.813 122 P CB 0.419 32.100 31.700 -0.032 0.000 0.778 123 E N -1.098 119.146 120.200 0.073 0.000 2.385 123 E HA -0.025 4.324 4.350 -0.001 0.000 0.194 123 E C 0.847 177.572 176.600 0.208 0.000 1.013 123 E CA 0.215 56.706 56.400 0.151 0.000 0.866 123 E CB -0.703 29.121 29.700 0.205 0.000 0.832 123 E HN 0.169 nan 8.360 nan 0.000 0.500 124 M N 2.034 121.702 119.600 0.113 0.000 2.243 124 M HA 0.169 4.649 4.480 -0.001 0.000 0.341 124 M C -0.445 175.844 176.300 -0.019 0.000 1.130 124 M CA 0.120 55.399 55.300 -0.035 0.000 1.162 124 M CB 0.635 33.222 32.600 -0.021 0.000 1.497 124 M HN -0.255 nan 8.290 nan 0.000 0.456 125 K N 3.219 123.574 120.400 -0.076 0.000 2.400 125 K HA 0.657 4.977 4.320 -0.001 0.000 0.246 125 K C -1.710 174.931 176.600 0.069 0.000 0.995 125 K CA -0.520 55.778 56.287 0.017 0.000 0.840 125 K CB 2.256 34.794 32.500 0.063 0.000 1.293 125 K HN 0.671 nan 8.250 nan 0.000 0.445 126 F N 1.523 121.391 119.950 -0.136 0.000 2.672 126 F HA 0.432 4.959 4.527 -0.001 0.000 0.311 126 F C -1.534 174.159 175.800 -0.179 0.000 1.113 126 F CA -1.255 56.652 58.000 -0.156 0.000 0.996 126 F CB 1.011 40.001 39.000 -0.017 0.000 1.286 126 F HN 0.443 nan 8.300 nan 0.000 0.441 127 I N 1.887 122.132 120.570 -0.543 0.000 2.562 127 I HA 0.584 4.753 4.170 -0.001 0.000 0.301 127 I C -1.727 173.951 176.117 -0.731 0.000 1.003 127 I CA -0.617 60.319 61.300 -0.607 0.000 1.127 127 I CB 2.487 40.069 38.000 -0.697 0.000 1.304 127 I HN 0.711 nan 8.210 nan 0.000 0.446 128 W N 4.776 125.660 121.300 -0.694 0.000 2.839 128 W HA 0.635 5.294 4.660 -0.001 0.000 0.334 128 W C -0.665 175.749 176.519 -0.174 0.000 1.064 128 W CA -0.541 56.523 57.345 -0.469 0.000 1.236 128 W CB 2.647 31.888 29.460 -0.365 0.000 1.405 128 W HN 0.800 nan 8.180 nan 0.000 0.478 129 A N 3.562 125.979 122.820 -0.672 0.000 1.944 129 A HA 0.127 4.446 4.320 -0.001 0.000 0.207 129 A C 0.058 177.574 177.584 -0.113 0.000 1.265 129 A CA 0.536 52.424 52.037 -0.249 0.000 0.712 129 A CB -0.109 18.797 19.000 -0.157 0.000 0.915 129 A HN 0.532 nan 8.150 nan 0.000 0.470 130 E N 1.123 121.135 120.200 -0.313 0.000 1.996 130 E HA 0.284 4.633 4.350 -0.001 0.000 0.280 130 E C 0.447 177.194 176.600 0.245 0.000 1.092 130 E CA -0.269 56.121 56.400 -0.016 0.000 0.862 130 E CB 0.651 30.327 29.700 -0.040 0.000 1.066 130 E HN 0.291 nan 8.360 nan 0.000 0.396 131 I N 1.556 122.183 120.570 0.096 0.000 2.676 131 I HA -0.206 3.963 4.170 -0.001 0.000 0.259 131 I C 1.930 177.712 176.117 -0.560 0.000 1.194 131 I CA 0.934 62.224 61.300 -0.017 0.000 1.473 131 I CB -1.426 36.606 38.000 0.052 0.000 1.096 131 I HN 0.416 nan 8.210 nan 0.000 0.443 132 S N 0.775 115.840 115.700 -1.058 0.000 2.365 132 S HA -0.267 4.202 4.470 -0.001 0.000 0.225 132 S C 2.203 176.472 174.600 -0.551 0.000 1.039 132 S CA 1.303 58.414 58.200 -1.814 0.000 1.033 132 S CB -1.191 61.029 63.200 -1.633 0.000 0.887 132 S HN 0.466 nan 8.310 nan 0.000 0.447 133 Y N 0.172 120.483 120.300 0.019 0.000 2.200 133 Y HA 0.005 4.554 4.550 -0.001 0.000 0.290 133 Y C 2.304 178.272 175.900 0.114 0.000 1.137 133 Y CA 1.154 59.371 58.100 0.195 0.000 1.163 133 Y CB -0.377 38.299 38.460 0.360 0.000 0.988 133 Y HN 0.291 nan 8.280 nan 0.000 0.518 134 F N 0.070 120.103 119.950 0.139 0.000 2.134 134 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 134 F C 2.332 177.967 175.800 -0.276 0.000 1.097 134 F CA 1.186 59.144 58.000 -0.069 0.000 1.264 134 F CB -0.472 38.474 39.000 -0.090 0.000 1.001 134 F HN -0.020 nan 8.300 nan 0.000 0.479 135 A N 0.194 122.630 122.820 -0.640 0.000 1.902 135 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 135 A C 2.162 179.572 177.584 -0.289 0.000 1.181 135 A CA 1.782 53.210 52.037 -1.015 0.000 0.623 135 A CB -0.765 17.447 19.000 -1.314 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 R N -1.065 119.314 120.500 -0.201 0.000 2.091 136 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 136 R C 1.780 178.035 176.300 -0.075 0.000 1.136 136 R CA 2.109 58.116 56.100 -0.155 0.000 0.959 136 R CB -0.821 29.327 30.300 -0.252 0.000 0.856 136 R HN 0.478 nan 8.270 nan 0.000 0.437 137 F N -0.269 119.615 119.950 -0.111 0.000 2.084 137 F HA -0.121 4.406 4.527 -0.001 0.000 0.296 137 F C 1.971 177.724 175.800 -0.078 0.000 1.111 137 F CA 1.655 59.656 58.000 0.002 0.000 1.224 137 F CB -0.873 38.057 39.000 -0.116 0.000 0.991 137 F HN 0.113 nan 8.300 nan 0.000 0.471 138 Y N 0.186 120.321 120.300 -0.275 0.000 2.165 138 Y HA -0.321 4.228 4.550 -0.001 0.000 0.286 138 Y C 2.962 178.797 175.900 -0.109 0.000 1.155 138 Y CA 2.425 60.401 58.100 -0.206 0.000 1.164 138 Y CB -0.956 37.588 38.460 0.139 0.000 0.978 138 Y HN 0.290 nan 8.280 nan 0.000 0.513 139 H N -0.601 118.479 119.070 0.017 0.000 2.421 139 H HA -0.139 4.417 4.556 -0.001 0.000 0.298 139 H C 0.903 176.134 175.328 -0.161 0.000 1.087 139 H CA 1.749 57.771 56.048 -0.043 0.000 1.330 139 H CB 0.012 29.785 29.762 0.018 0.000 1.388 139 H HN 0.391 nan 8.280 nan 0.000 0.526 140 D N 0.395 120.688 120.400 -0.178 0.000 2.355 140 D HA 0.077 4.717 4.640 -0.001 0.000 0.218 140 D C 0.548 176.628 176.300 -0.367 0.000 1.004 140 D CA 0.072 53.930 54.000 -0.237 0.000 0.880 140 D CB 0.165 40.892 40.800 -0.123 0.000 0.911 140 D HN 0.288 nan 8.370 nan 0.000 0.528 141 L N 0.588 121.501 121.223 -0.518 0.000 2.397 141 L HA 0.289 4.629 4.340 -0.001 0.000 0.271 141 L C 1.375 178.018 176.870 -0.379 0.000 1.148 141 L CA -0.539 53.991 54.840 -0.516 0.000 0.825 141 L CB 0.905 42.583 42.059 -0.635 0.000 1.117 141 L HN -0.017 nan 8.230 nan 0.000 0.456 142 G N 0.900 109.535 108.800 -0.275 0.000 2.606 142 G HA2 0.038 3.997 3.960 -0.001 0.000 0.252 142 G HA3 0.038 3.997 3.960 -0.001 0.000 0.252 142 G C 0.655 175.435 174.900 -0.200 0.000 1.206 142 G CA -0.293 44.685 45.100 -0.203 0.000 0.861 142 G HN 0.790 nan 8.290 nan 0.000 0.561 143 E N 0.079 120.192 120.200 -0.145 0.000 2.118 143 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 143 E C 2.169 178.721 176.600 -0.081 0.000 0.992 143 E CA 1.649 57.985 56.400 -0.108 0.000 0.804 143 E CB -0.141 29.521 29.700 -0.062 0.000 0.741 143 E HN 0.592 nan 8.360 nan 0.000 0.458 144 N N 0.093 118.746 118.700 -0.078 0.000 2.084 144 N HA -0.191 4.549 4.740 -0.001 0.000 0.190 144 N C 1.414 176.883 175.510 -0.069 0.000 1.030 144 N CA 1.352 54.365 53.050 -0.060 0.000 0.849 144 N CB 0.005 38.454 38.487 -0.063 0.000 1.012 144 N HN 0.033 nan 8.380 nan 0.000 0.423 145 K N 1.276 121.614 120.400 -0.103 0.000 2.097 145 K HA -0.040 4.280 4.320 -0.001 0.000 0.205 145 K C 2.034 178.596 176.600 -0.064 0.000 1.050 145 K CA 0.683 56.911 56.287 -0.099 0.000 0.938 145 K CB -0.216 32.201 32.500 -0.139 0.000 0.718 145 K HN 0.333 nan 8.250 nan 0.000 0.442 146 K N 0.809 121.126 120.400 -0.137 0.000 2.032 146 K HA -0.056 4.264 4.320 -0.001 0.000 0.209 146 K C 2.274 178.960 176.600 0.143 0.000 1.048 146 K CA 1.022 57.244 56.287 -0.109 0.000 0.927 146 K CB -0.186 32.142 32.500 -0.287 0.000 0.712 146 K HN 0.053 nan 8.250 nan 0.000 0.441 147 L N 0.925 122.194 121.223 0.077 0.000 2.046 147 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 147 L C 2.569 179.509 176.870 0.117 0.000 1.077 147 L CA 1.349 56.251 54.840 0.104 0.000 0.747 147 L CB -0.413 41.681 42.059 0.057 0.000 0.896 147 L HN 0.285 nan 8.230 nan 0.000 0.432 148 Q N -0.860 118.987 119.800 0.078 0.000 2.084 148 Q HA -0.261 4.078 4.340 -0.001 0.000 0.202 148 Q C 2.202 178.297 176.000 0.158 0.000 0.978 148 Q CA 1.712 57.568 55.803 0.089 0.000 0.844 148 Q CB -0.146 28.578 28.738 -0.023 0.000 0.898 148 Q HN 0.353 nan 8.270 nan 0.000 0.426 149 M N 1.049 120.774 119.600 0.208 0.000 2.117 149 M HA -0.157 4.323 4.480 -0.001 0.000 0.262 149 M C 1.552 178.053 176.300 0.334 0.000 1.065 149 M CA 1.799 57.294 55.300 0.324 0.000 1.114 149 M CB 0.065 32.962 32.600 0.494 0.000 1.361 149 M HN -0.123 nan 8.290 nan 0.000 0.408 150 K N -0.926 119.670 120.400 0.326 0.000 2.147 150 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 150 K C 2.259 178.970 176.600 0.184 0.000 1.049 150 K CA 1.540 57.986 56.287 0.263 0.000 0.936 150 K CB -0.403 32.235 32.500 0.231 0.000 0.722 150 K HN 0.398 nan 8.250 nan 0.000 0.446 151 S N 1.236 117.034 115.700 0.163 0.000 2.368 151 S HA -0.086 4.384 4.470 -0.001 0.000 0.224 151 S C 1.878 176.543 174.600 0.108 0.000 1.029 151 S CA 1.167 59.440 58.200 0.122 0.000 0.988 151 S CB -0.223 63.049 63.200 0.121 0.000 0.838 151 S HN 0.394 nan 8.310 nan 0.000 0.462 152 I N -0.910 119.735 120.570 0.125 0.000 2.928 152 I HA 0.080 4.250 4.170 -0.001 0.000 0.266 152 I C 1.799 177.960 176.117 0.072 0.000 1.234 152 I CA 0.554 61.907 61.300 0.089 0.000 1.483 152 I CB -0.273 37.779 38.000 0.087 0.000 1.097 152 I HN 0.093 nan 8.210 nan 0.000 0.455 153 V N 1.450 121.430 119.914 0.110 0.000 2.379 153 V HA -0.160 3.960 4.120 -0.001 0.000 0.243 153 V C 2.682 178.820 176.094 0.073 0.000 1.035 153 V CA 1.801 64.152 62.300 0.085 0.000 1.035 153 V CB -0.598 31.347 31.823 0.204 0.000 0.673 153 V HN 0.412 nan 8.190 nan 0.000 0.457 154 K N 0.620 121.073 120.400 0.089 0.000 2.063 154 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 154 K C 1.410 178.034 176.600 0.040 0.000 1.048 154 K CA 1.745 58.070 56.287 0.063 0.000 0.928 154 K CB -0.126 32.413 32.500 0.065 0.000 0.713 154 K HN 0.449 nan 8.250 nan 0.000 0.442 155 N N -0.370 118.354 118.700 0.039 0.000 2.313 155 N HA 0.034 4.773 4.740 -0.001 0.000 0.207 155 N C 0.592 176.110 175.510 0.013 0.000 1.141 155 N CA 0.909 53.974 53.050 0.024 0.000 0.830 155 N CB 1.126 39.628 38.487 0.026 0.000 1.008 155 N HN 0.483 nan 8.380 nan 0.000 0.481 156 G N 1.046 109.850 108.800 0.007 0.000 2.179 156 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 156 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 156 G C 0.932 175.821 174.900 -0.018 0.000 0.977 156 G CA 0.284 45.377 45.100 -0.012 0.000 0.641 156 G HN 0.390 nan 8.290 nan 0.000 0.533 157 Q N -0.970 118.827 119.800 -0.005 0.000 2.096 157 Q HA 0.260 4.600 4.340 -0.001 0.000 0.197 157 Q C 1.307 177.301 176.000 -0.010 0.000 0.964 157 Q CA 0.765 56.570 55.803 0.002 0.000 0.838 157 Q CB 0.271 29.015 28.738 0.010 0.000 0.906 157 Q HN 0.534 nan 8.270 nan 0.000 0.444 158 L N 1.541 122.738 121.223 -0.044 0.000 2.287 158 L HA 0.363 4.703 4.340 -0.001 0.000 0.287 158 L C -1.074 175.609 176.870 -0.310 0.000 1.022 158 L CA -0.169 54.599 54.840 -0.120 0.000 0.814 158 L CB 1.458 43.462 42.059 -0.091 0.000 1.217 158 L HN 0.068 nan 8.230 nan 0.000 0.420 159 E N 4.539 124.508 120.200 -0.384 0.000 2.234 159 E HA 0.361 4.711 4.350 -0.001 0.000 0.266 159 E C -1.590 174.693 176.600 -0.528 0.000 0.877 159 E CA -0.697 55.468 56.400 -0.392 0.000 0.758 159 E CB 1.560 31.131 29.700 -0.216 0.000 1.170 159 E HN 0.449 nan 8.360 nan 0.000 0.415 160 F N 3.206 123.107 119.950 -0.082 0.000 2.427 160 F HA 0.245 4.772 4.527 -0.001 0.000 0.352 160 F C 0.292 176.057 175.800 -0.059 0.000 1.100 160 F CA -0.571 57.390 58.000 -0.064 0.000 1.191 160 F CB 1.261 40.239 39.000 -0.037 0.000 1.128 160 F HN 0.191 nan 8.300 nan 0.000 0.533 161 V N -0.051 119.912 119.914 0.082 0.000 2.495 161 V HA 0.623 4.743 4.120 -0.001 0.000 0.298 161 V C 0.215 176.433 176.094 0.207 0.000 1.031 161 V CA -0.523 61.825 62.300 0.081 0.000 0.871 161 V CB 0.923 32.679 31.823 -0.113 0.000 0.988 161 V HN 0.995 nan 8.190 nan 0.000 0.432 162 T N 3.133 117.890 114.554 0.339 0.000 12.940 162 T HA -0.304 4.046 4.350 -0.001 0.000 0.419 162 T C 1.719 176.649 174.700 0.384 0.000 1.444 162 T CA 2.873 65.224 62.100 0.418 0.000 2.373 162 T CB -1.683 67.328 68.868 0.238 0.000 2.821 162 T HN 2.796 nan 8.240 nan 0.000 0.696 163 G N 1.899 110.863 108.800 0.274 0.000 2.147 163 G HA2 0.104 4.064 3.960 -0.001 0.000 0.244 163 G HA3 0.104 4.064 3.960 -0.001 0.000 0.244 163 G C 0.275 175.315 174.900 0.234 0.000 1.005 163 G CA 0.585 45.824 45.100 0.232 0.000 0.713 163 G HN 1.551 nan 8.290 nan 0.000 0.515 164 G N -1.692 107.243 108.800 0.224 0.000 2.537 164 G HA2 0.387 4.347 3.960 -0.001 0.000 0.273 164 G HA3 0.387 4.347 3.960 -0.001 0.000 0.273 164 G C 0.951 176.018 174.900 0.278 0.000 1.189 164 G CA 0.121 45.362 45.100 0.235 0.000 0.881 164 G HN 0.345 nan 8.290 nan 0.000 0.535 165 W N 0.639 121.974 121.300 0.059 0.000 2.325 165 W HA -0.062 4.598 4.660 -0.001 0.000 0.299 165 W C 0.713 177.250 176.519 0.030 0.000 1.215 165 W CA 1.919 59.280 57.345 0.027 0.000 1.244 165 W CB 0.266 29.723 29.460 -0.005 0.000 1.140 165 W HN 0.415 nan 8.180 nan 0.000 0.523 166 V N -2.705 117.319 119.914 0.183 0.000 3.084 166 V HA 0.523 4.642 4.120 -0.001 0.000 0.311 166 V C -0.479 175.694 176.094 0.132 0.000 1.311 166 V CA -1.250 61.099 62.300 0.083 0.000 1.062 166 V CB 1.701 33.591 31.823 0.112 0.000 1.113 166 V HN -0.061 nan 8.190 nan 0.000 0.468 167 M N 3.823 123.534 119.600 0.186 0.000 2.060 167 M HA 0.548 5.028 4.480 -0.001 0.000 0.342 167 M C -2.793 173.675 176.300 0.279 0.000 1.031 167 M CA -1.901 53.525 55.300 0.209 0.000 0.981 167 M CB 1.708 34.456 32.600 0.247 0.000 1.376 167 M HN 0.671 nan 8.290 nan 0.000 0.397 168 P HA 0.111 nan 4.420 nan 0.000 0.274 168 P C -0.964 176.357 177.300 0.035 0.000 1.246 168 P CA -0.091 63.069 63.100 0.100 0.000 0.795 168 P CB 0.562 32.300 31.700 0.063 0.000 1.006 169 D N 0.163 120.544 120.400 -0.032 0.000 2.423 169 D HA -0.032 4.608 4.640 -0.001 0.000 0.238 169 D C 0.623 176.937 176.300 0.022 0.000 1.142 169 D CA 0.464 54.419 54.000 -0.075 0.000 0.884 169 D CB 0.403 41.167 40.800 -0.061 0.000 1.199 169 D HN 0.300 nan 8.370 nan 0.000 0.438 170 E N 1.409 121.668 120.200 0.098 0.000 2.526 170 E HA 0.196 4.546 4.350 -0.001 0.000 0.208 170 E C 0.844 177.612 176.600 0.280 0.000 0.997 170 E CA -0.020 56.502 56.400 0.205 0.000 0.961 170 E CB 0.724 30.572 29.700 0.247 0.000 1.030 170 E HN 0.487 nan 8.360 nan 0.000 0.483 171 A N 1.445 124.372 122.820 0.180 0.000 1.887 171 A HA 0.015 4.335 4.320 -0.001 0.000 0.210 171 A C 1.810 179.271 177.584 -0.205 0.000 1.221 171 A CA 0.588 52.486 52.037 -0.231 0.000 0.635 171 A CB 0.019 18.823 19.000 -0.327 0.000 0.881 171 A HN 0.039 nan 8.150 nan 0.000 0.456 172 N N 0.738 119.410 118.700 -0.045 0.000 2.392 172 N HA 0.006 4.746 4.740 -0.001 0.000 0.177 172 N C 0.424 175.923 175.510 -0.019 0.000 1.066 172 N CA 0.749 53.772 53.050 -0.046 0.000 0.895 172 N CB 0.061 38.571 38.487 0.038 0.000 0.988 172 N HN 0.506 nan 8.380 nan 0.000 0.457 173 S N 0.675 116.374 115.700 -0.003 0.000 2.564 173 S HA 0.052 4.521 4.470 -0.001 0.000 0.278 173 S C -0.007 174.608 174.600 0.024 0.000 1.333 173 S CA -0.593 57.617 58.200 0.017 0.000 1.048 173 S CB 1.245 64.457 63.200 0.020 0.000 0.900 173 S HN 0.198 nan 8.310 nan 0.000 0.505 174 H N 3.305 122.352 119.070 -0.039 0.000 2.582 174 H HA 0.052 4.608 4.556 -0.001 0.000 0.345 174 H C 1.231 176.528 175.328 -0.053 0.000 1.104 174 H CA -0.326 55.687 56.048 -0.060 0.000 1.390 174 H CB 0.543 30.224 29.762 -0.136 0.000 1.461 174 H HN 1.026 nan 8.280 nan 0.000 0.551 175 W N 5.725 126.965 121.300 -0.101 0.000 2.350 175 W HA -0.174 4.486 4.660 -0.000 0.000 0.289 175 W C 1.089 177.676 176.519 0.113 0.000 1.215 175 W CA 0.383 57.724 57.345 -0.007 0.000 1.236 175 W CB -0.497 28.907 29.460 -0.094 0.000 1.130 175 W HN 0.530 nan 8.180 nan 0.000 0.541 176 R N 0.807 120.884 120.500 -0.706 0.000 2.096 176 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 176 R C 2.029 178.144 176.300 -0.310 0.000 1.127 176 R CA 1.914 57.493 56.100 -0.868 0.000 0.968 176 R CB -0.452 29.283 30.300 -0.942 0.000 0.861 176 R HN 0.132 nan 8.270 nan 0.000 0.440 177 N N -0.145 118.463 118.700 -0.154 0.000 2.354 177 N HA -0.064 4.676 4.740 -0.001 0.000 0.179 177 N C 1.700 177.203 175.510 -0.012 0.000 1.021 177 N CA 0.707 53.714 53.050 -0.073 0.000 0.887 177 N CB -0.001 38.466 38.487 -0.034 0.000 0.974 177 N HN 0.006 nan 8.380 nan 0.000 0.437 178 V N 1.333 121.265 119.914 0.031 0.000 2.343 178 V HA -0.164 3.956 4.120 -0.001 0.000 0.247 178 V C 2.299 178.432 176.094 0.065 0.000 1.051 178 V CA 1.024 63.364 62.300 0.066 0.000 1.036 178 V CB -0.431 31.456 31.823 0.106 0.000 0.654 178 V HN 0.196 nan 8.190 nan 0.000 0.451 179 L N -0.268 121.001 121.223 0.076 0.000 2.056 179 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 179 L C 2.175 179.049 176.870 0.006 0.000 1.078 179 L CA 1.813 56.693 54.840 0.067 0.000 0.749 179 L CB -0.727 41.402 42.059 0.116 0.000 0.901 179 L HN 0.275 nan 8.230 nan 0.000 0.433 180 L N 0.039 121.242 121.223 -0.033 0.000 2.012 180 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 180 L C 2.581 179.434 176.870 -0.028 0.000 1.073 180 L CA 2.410 57.220 54.840 -0.050 0.000 0.748 180 L CB -0.803 41.206 42.059 -0.083 0.000 0.891 180 L HN 0.689 nan 8.230 nan 0.000 0.431 181 Q N -1.072 118.733 119.800 0.008 0.000 2.172 181 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 181 Q C 2.011 178.087 176.000 0.126 0.000 0.964 181 Q CA 1.940 57.782 55.803 0.065 0.000 0.855 181 Q CB -1.138 27.675 28.738 0.125 0.000 0.918 181 Q HN 0.475 nan 8.270 nan 0.000 0.444 182 L N 0.826 122.110 121.223 0.101 0.000 2.046 182 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 182 L C 1.897 178.844 176.870 0.128 0.000 1.077 182 L CA 2.420 57.335 54.840 0.124 0.000 0.747 182 L CB -0.978 41.131 42.059 0.084 0.000 0.896 182 L HN 0.324 nan 8.230 nan 0.000 0.432 183 T N -0.997 113.599 114.554 0.070 0.000 2.777 183 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 183 T C 1.713 176.459 174.700 0.078 0.000 1.040 183 T CA 1.404 63.537 62.100 0.056 0.000 1.141 183 T CB -0.170 68.699 68.868 0.002 0.000 0.868 183 T HN 0.346 nan 8.240 nan 0.000 0.444 184 E N 1.069 121.286 120.200 0.028 0.000 2.058 184 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 184 E C 2.345 179.054 176.600 0.181 0.000 0.997 184 E CA 1.638 58.008 56.400 -0.050 0.000 0.801 184 E CB -0.877 28.617 29.700 -0.343 0.000 0.746 184 E HN 0.444 nan 8.360 nan 0.000 0.450 185 G N -0.181 108.827 108.800 0.346 0.000 2.402 185 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.216 185 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.216 185 G C 1.486 176.606 174.900 0.368 0.000 1.162 185 G CA 0.662 46.066 45.100 0.506 0.000 0.777 185 G HN 0.268 nan 8.290 nan 0.000 0.539 186 Q N -0.165 119.787 119.800 0.252 0.000 2.172 186 Q HA -0.057 4.283 4.340 -0.001 0.000 0.200 186 Q C 2.757 178.854 176.000 0.163 0.000 0.964 186 Q CA 1.402 57.316 55.803 0.185 0.000 0.855 186 Q CB -0.191 28.638 28.738 0.152 0.000 0.918 186 Q HN 0.403 nan 8.270 nan 0.000 0.444 187 T N 0.097 114.756 114.554 0.175 0.000 2.777 187 T HA -0.171 4.179 4.350 -0.001 0.000 0.266 187 T C 1.077 175.875 174.700 0.163 0.000 1.040 187 T CA 0.975 63.154 62.100 0.130 0.000 1.141 187 T CB -0.323 68.617 68.868 0.119 0.000 0.868 187 T HN 0.474 nan 8.240 nan 0.000 0.444 188 W N 1.564 122.956 121.300 0.153 0.000 2.355 188 W HA -0.016 4.644 4.660 -0.001 0.000 0.309 188 W C 1.761 178.409 176.519 0.216 0.000 1.206 188 W CA 0.867 58.383 57.345 0.284 0.000 1.284 188 W CB -0.419 29.260 29.460 0.364 0.000 1.145 188 W HN 0.138 nan 8.180 nan 0.000 0.502 189 L N 0.639 122.076 121.223 0.357 0.000 2.046 189 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 189 L C 2.625 179.435 176.870 -0.100 0.000 1.077 189 L CA 1.841 56.720 54.840 0.066 0.000 0.747 189 L CB -0.934 41.102 42.059 -0.039 0.000 0.896 189 L HN -0.020 nan 8.230 nan 0.000 0.432 190 K N -0.034 120.331 120.400 -0.059 0.000 2.026 190 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 190 K C 2.201 178.679 176.600 -0.203 0.000 1.048 190 K CA 1.687 57.915 56.287 -0.098 0.000 0.929 190 K CB -0.061 32.404 32.500 -0.059 0.000 0.713 190 K HN 0.249 nan 8.250 nan 0.000 0.439 191 Q N -0.685 118.931 119.800 -0.306 0.000 2.020 191 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 191 Q C 1.704 177.256 176.000 -0.747 0.000 0.982 191 Q CA 1.911 57.377 55.803 -0.561 0.000 0.838 191 Q CB -0.017 28.252 28.738 -0.782 0.000 0.899 191 Q HN 0.341 nan 8.270 nan 0.000 0.423 192 F N -1.292 118.278 119.950 -0.633 0.000 2.530 192 F HA 0.067 4.593 4.527 -0.001 0.000 0.292 192 F C 1.701 177.211 175.800 -0.482 0.000 1.109 192 F CA 0.187 57.774 58.000 -0.689 0.000 1.450 192 F CB 0.396 38.580 39.000 -1.360 0.000 1.114 192 F HN 0.119 nan 8.300 nan 0.000 0.560 193 M N -0.963 118.500 119.600 -0.229 0.000 2.308 193 M HA 0.216 4.696 4.480 -0.001 0.000 0.269 193 M C 0.361 176.650 176.300 -0.019 0.000 1.040 193 M CA 0.158 55.424 55.300 -0.057 0.000 1.024 193 M CB -1.007 31.584 32.600 -0.015 0.000 1.465 193 M HN 0.092 nan 8.290 nan 0.000 0.517 194 N N 1.964 120.616 118.700 -0.080 0.000 2.735 194 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 194 N C -0.980 174.520 175.510 -0.017 0.000 1.083 194 N CA 0.774 53.792 53.050 -0.054 0.000 0.703 194 N CB -1.010 37.459 38.487 -0.030 0.000 1.005 194 N HN 0.374 nan 8.380 nan 0.000 0.550 195 V N -4.085 115.822 119.914 -0.011 0.000 3.049 195 V HA 0.859 4.979 4.120 -0.001 0.000 0.309 195 V C 0.063 176.154 176.094 -0.005 0.000 1.148 195 V CA -0.506 61.803 62.300 0.016 0.000 0.990 195 V CB 2.292 34.176 31.823 0.101 0.000 1.039 195 V HN 0.043 nan 8.190 nan 0.000 0.430 196 T N 3.909 118.449 114.554 -0.024 0.000 2.930 196 T HA 0.548 4.897 4.350 -0.001 0.000 0.313 196 T C -2.715 171.909 174.700 -0.126 0.000 1.019 196 T CA -0.787 61.278 62.100 -0.058 0.000 1.004 196 T CB 1.306 70.130 68.868 -0.073 0.000 0.987 196 T HN 0.742 nan 8.240 nan 0.000 0.456 197 P HA 0.131 nan 4.420 nan 0.000 0.266 197 P C 0.827 177.756 177.300 -0.618 0.000 1.195 197 P CA -0.022 62.967 63.100 -0.185 0.000 0.768 197 P CB 0.530 32.233 31.700 0.006 0.000 0.838 198 T N -1.501 112.742 114.554 -0.519 0.000 3.043 198 T HA 0.532 4.882 4.350 -0.001 0.000 0.272 198 T C 0.318 174.809 174.700 -0.347 0.000 0.990 198 T CA -0.294 61.355 62.100 -0.752 0.000 0.897 198 T CB 0.165 68.814 68.868 -0.365 0.000 1.111 198 T HN 0.394 nan 8.240 nan 0.000 0.529 199 A N 0.841 123.619 122.820 -0.069 0.000 2.331 199 A HA 0.806 5.125 4.320 -0.001 0.000 0.320 199 A C -0.143 177.708 177.584 0.444 0.000 1.138 199 A CA -0.677 51.485 52.037 0.208 0.000 0.790 199 A CB 1.769 20.916 19.000 0.245 0.000 1.206 199 A HN 0.252 nan 8.150 nan 0.000 0.470 200 S N 1.967 117.929 115.700 0.437 0.000 2.549 200 S HA 0.668 5.138 4.470 -0.001 0.000 0.297 200 S C -1.158 173.642 174.600 0.332 0.000 1.115 200 S CA -0.432 57.967 58.200 0.332 0.000 1.059 200 S CB 0.713 63.938 63.200 0.041 0.000 1.046 200 S HN 0.769 nan 8.310 nan 0.000 0.506 201 W N 4.522 125.841 121.300 0.032 0.000 2.499 201 W HA 0.636 5.296 4.660 -0.001 0.000 0.320 201 W C -1.535 174.932 176.519 -0.088 0.000 1.010 201 W CA -0.837 56.478 57.345 -0.050 0.000 1.267 201 W CB 1.096 30.499 29.460 -0.095 0.000 1.316 201 W HN 0.763 nan 8.180 nan 0.000 0.431 202 A N 7.943 130.624 122.820 -0.232 0.000 2.646 202 A HA 0.328 4.648 4.320 -0.001 0.000 0.312 202 A C 0.159 177.485 177.584 -0.430 0.000 1.245 202 A CA -0.504 51.396 52.037 -0.229 0.000 0.755 202 A CB -0.167 18.825 19.000 -0.014 0.000 1.132 202 A HN 0.706 nan 8.150 nan 0.000 0.458 203 I N -2.331 117.819 120.570 -0.700 0.000 3.783 203 I HA 0.321 4.491 4.170 -0.001 0.000 0.310 203 I C 0.734 176.531 176.117 -0.534 0.000 1.274 203 I CA 0.619 61.468 61.300 -0.751 0.000 1.294 203 I CB 0.493 37.781 38.000 -1.188 0.000 1.051 203 I HN 0.354 nan 8.210 nan 0.000 0.435 204 D N 0.471 120.505 120.400 -0.610 0.000 2.498 204 D HA 0.257 4.896 4.640 -0.001 0.000 0.223 204 D C -2.173 173.686 176.300 -0.736 0.000 1.125 204 D CA -0.901 52.755 54.000 -0.572 0.000 0.835 204 D CB 0.123 40.540 40.800 -0.639 0.000 1.086 204 D HN 0.159 nan 8.370 nan 0.000 0.510 205 P HA 0.023 nan 4.420 nan 0.000 0.267 205 P C -0.529 176.312 177.300 -0.766 0.000 1.200 205 P CA 0.133 62.673 63.100 -0.933 0.000 0.772 205 P CB 0.202 31.537 31.700 -0.609 0.000 0.855 206 F N 2.366 122.091 119.950 -0.376 0.000 2.605 206 F HA 0.534 5.060 4.527 -0.001 0.000 0.352 206 F C 1.408 177.183 175.800 -0.041 0.000 1.236 206 F CA -0.624 57.131 58.000 -0.409 0.000 1.267 206 F CB -1.159 37.773 39.000 -0.113 0.000 1.632 206 F HN 0.472 nan 8.300 nan 0.000 0.639 207 G N 1.315 109.896 108.800 -0.366 0.000 2.619 207 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.686 207 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.686 207 G C -1.553 173.018 174.900 -0.549 0.000 1.256 207 G CA -1.172 43.838 45.100 -0.151 0.000 0.826 207 G HN 0.608 nan 8.290 nan 0.000 0.619 208 H N -0.606 118.171 119.070 -0.488 0.000 2.768 208 H HA 0.759 5.315 4.556 -0.001 0.000 0.371 208 H C -0.364 174.834 175.328 -0.216 0.000 1.151 208 H CA 0.051 55.999 56.048 -0.166 0.000 1.165 208 H CB 2.054 31.881 29.762 0.109 0.000 1.722 208 H HN 0.695 nan 8.280 nan 0.000 0.543 209 S N 2.234 118.070 115.700 0.227 0.000 2.501 209 S HA 0.269 4.739 4.470 -0.001 0.000 0.301 209 S C -1.781 172.808 174.600 -0.019 0.000 1.096 209 S CA -1.792 56.538 58.200 0.215 0.000 1.063 209 S CB 1.353 64.739 63.200 0.310 0.000 1.042 209 S HN 0.447 nan 8.310 nan 0.000 0.494 210 P HA 0.010 nan 4.420 nan 0.000 0.230 210 P C 1.116 178.130 177.300 -0.478 0.000 1.158 210 P CA 0.762 63.389 63.100 -0.788 0.000 0.769 210 P CB -0.264 31.164 31.700 -0.453 0.000 0.807 211 T N -0.086 114.339 114.554 -0.217 0.000 2.803 211 T HA -0.111 4.238 4.350 -0.001 0.000 0.269 211 T C 1.838 176.489 174.700 -0.081 0.000 1.052 211 T CA 1.261 63.287 62.100 -0.123 0.000 1.136 211 T CB -0.390 68.455 68.868 -0.038 0.000 0.864 211 T HN 0.004 nan 8.240 nan 0.000 0.467 212 M N 0.860 120.369 119.600 -0.150 0.000 2.064 212 M HA 0.012 4.492 4.480 -0.001 0.000 0.260 212 M C -0.603 175.566 176.300 -0.220 0.000 1.073 212 M CA 1.163 56.380 55.300 -0.140 0.000 1.124 212 M CB -2.501 30.044 32.600 -0.092 0.000 1.326 212 M HN 0.133 nan 8.290 nan 0.000 0.410 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.662 178.850 177.300 -0.188 0.000 1.149 213 P CA 1.420 64.345 63.100 -0.292 0.000 0.817 213 P CB -0.418 31.033 31.700 -0.415 0.000 0.785 214 Y N 1.184 121.300 120.300 -0.306 0.000 2.097 214 Y HA -0.203 4.347 4.550 -0.001 0.000 0.282 214 Y C 2.415 178.235 175.900 -0.133 0.000 1.152 214 Y CA 1.688 59.671 58.100 -0.196 0.000 1.136 214 Y CB -0.979 37.380 38.460 -0.167 0.000 0.975 214 Y HN -0.238 nan 8.280 nan 0.000 0.498 215 I N -0.402 120.182 120.570 0.024 0.000 2.252 215 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 215 I C 2.293 178.333 176.117 -0.129 0.000 1.102 215 I CA 1.143 62.418 61.300 -0.041 0.000 1.385 215 I CB -0.418 37.628 38.000 0.077 0.000 1.064 215 I HN 0.268 nan 8.210 nan 0.000 0.414 216 L N 0.167 121.266 121.223 -0.206 0.000 2.046 216 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 216 L C 2.683 179.533 176.870 -0.033 0.000 1.077 216 L CA 1.231 55.875 54.840 -0.327 0.000 0.747 216 L CB -0.717 40.965 42.059 -0.628 0.000 0.896 216 L HN 0.361 nan 8.230 nan 0.000 0.432 217 Q N 1.146 120.895 119.800 -0.085 0.000 2.224 217 Q HA -0.177 4.163 4.340 -0.001 0.000 0.203 217 Q C 1.553 177.512 176.000 -0.068 0.000 0.970 217 Q CA 1.424 57.200 55.803 -0.046 0.000 0.865 217 Q CB 0.156 28.841 28.738 -0.088 0.000 0.922 217 Q HN 0.453 nan 8.270 nan 0.000 0.445 218 K N -0.432 119.884 120.400 -0.140 0.000 2.417 218 K HA 0.139 4.459 4.320 -0.001 0.000 0.196 218 K C 0.441 177.002 176.600 -0.065 0.000 1.023 218 K CA 0.016 56.213 56.287 -0.150 0.000 1.122 218 K CB 0.577 32.911 32.500 -0.277 0.000 0.850 218 K HN -0.090 nan 8.250 nan 0.000 0.521 219 S N -0.186 115.534 115.700 0.033 0.000 2.843 219 S HA 0.201 4.670 4.470 -0.001 0.000 0.249 219 S C 0.708 175.413 174.600 0.175 0.000 1.047 219 S CA 0.073 58.340 58.200 0.111 0.000 1.042 219 S CB 1.311 64.617 63.200 0.176 0.000 0.936 219 S HN 0.524 nan 8.310 nan 0.000 0.531 220 G N 1.210 110.061 108.800 0.086 0.000 2.179 220 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.260 220 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.260 220 G C -0.001 174.880 174.900 -0.030 0.000 0.977 220 G CA -0.266 44.831 45.100 -0.003 0.000 0.641 220 G HN 0.453 nan 8.290 nan 0.000 0.533 221 F N 0.250 120.162 119.950 -0.064 0.000 2.450 221 F HA 0.562 5.088 4.527 -0.001 0.000 0.339 221 F C 1.632 177.375 175.800 -0.094 0.000 1.146 221 F CA 0.420 58.378 58.000 -0.070 0.000 1.267 221 F CB 1.071 40.034 39.000 -0.062 0.000 1.178 221 F HN -0.065 nan 8.300 nan 0.000 0.585 222 K N 0.383 120.802 120.400 0.031 0.000 2.464 222 K HA 0.230 4.549 4.320 -0.001 0.000 0.206 222 K C -0.635 175.903 176.600 -0.103 0.000 1.186 222 K CA 0.007 56.253 56.287 -0.069 0.000 0.990 222 K CB 0.468 32.879 32.500 -0.149 0.000 1.003 222 K HN 0.609 nan 8.250 nan 0.000 0.562 223 N N 0.230 118.857 118.700 -0.122 0.000 2.591 223 N HA 0.447 5.186 4.740 -0.001 0.000 0.263 223 N C -1.524 173.840 175.510 -0.243 0.000 1.308 223 N CA -0.808 52.011 53.050 -0.385 0.000 0.837 223 N CB 1.984 39.711 38.487 -1.268 0.000 1.548 223 N HN -0.073 nan 8.380 nan 0.000 0.493 224 M N -0.260 119.188 119.600 -0.253 0.000 2.578 224 M HA 0.626 5.105 4.480 -0.001 0.000 0.276 224 M C -2.132 174.222 176.300 0.089 0.000 1.245 224 M CA -0.932 54.358 55.300 -0.016 0.000 0.871 224 M CB 2.470 35.055 32.600 -0.025 0.000 1.722 224 M HN 0.509 nan 8.290 nan 0.000 0.473 225 L N 3.468 124.759 121.223 0.113 0.000 2.408 225 L HA 0.888 5.228 4.340 -0.001 0.000 0.268 225 L C -1.639 175.091 176.870 -0.234 0.000 0.986 225 L CA -0.733 54.124 54.840 0.029 0.000 0.820 225 L CB 2.129 44.255 42.059 0.112 0.000 1.303 225 L HN 0.948 nan 8.230 nan 0.000 0.411 226 I N 0.953 121.288 120.570 -0.393 0.000 2.934 226 I HA 0.602 4.772 4.170 -0.001 0.000 0.306 226 I C -0.672 175.128 176.117 -0.528 0.000 1.110 226 I CA -0.572 60.301 61.300 -0.711 0.000 1.019 226 I CB 2.235 39.493 38.000 -1.238 0.000 1.227 226 I HN 0.750 nan 8.210 nan 0.000 0.434 227 Q N 2.699 122.270 119.800 -0.380 0.000 2.577 227 Q HA 0.342 4.681 4.340 -0.001 0.000 0.242 227 Q C 0.073 175.955 176.000 -0.196 0.000 0.818 227 Q CA 0.430 56.076 55.803 -0.262 0.000 0.962 227 Q CB 0.558 29.136 28.738 -0.266 0.000 1.272 227 Q HN 0.657 nan 8.270 nan 0.000 0.593 228 R N 2.061 122.442 120.500 -0.197 0.000 2.429 228 R HA 0.318 4.658 4.340 -0.001 0.000 0.302 228 R C -0.669 175.308 176.300 -0.538 0.000 1.268 228 R CA 0.596 56.318 56.100 -0.630 0.000 1.090 228 R CB 0.156 29.705 30.300 -1.251 0.000 1.102 228 R HN 0.402 nan 8.270 nan 0.000 0.522 229 T N -2.372 112.120 114.554 -0.103 0.000 2.916 229 T HA 0.134 4.484 4.350 -0.001 0.000 0.292 229 T C -0.056 174.901 174.700 0.429 0.000 1.055 229 T CA -0.917 61.271 62.100 0.146 0.000 1.009 229 T CB 1.714 70.519 68.868 -0.106 0.000 1.118 229 T HN 0.442 nan 8.240 nan 0.000 0.497 230 H N 1.830 121.128 119.070 0.380 0.000 3.064 230 H HA -0.039 4.517 4.556 -0.001 0.000 0.329 230 H C 1.037 176.397 175.328 0.053 0.000 1.020 230 H CA 0.511 56.661 56.048 0.170 0.000 1.402 230 H CB 0.342 30.230 29.762 0.210 0.000 1.379 230 H HN 0.917 nan 8.280 nan 0.000 0.594 231 Y N 2.247 122.634 120.300 0.145 0.000 2.256 231 Y HA -0.161 4.388 4.550 -0.001 0.000 0.288 231 Y C 2.180 178.241 175.900 0.269 0.000 1.155 231 Y CA 0.910 59.138 58.100 0.213 0.000 1.203 231 Y CB -0.637 37.894 38.460 0.118 0.000 0.980 231 Y HN 0.292 nan 8.280 nan 0.000 0.530 232 S N 0.305 116.008 115.700 0.006 0.000 2.406 232 S HA -0.114 4.356 4.470 -0.001 0.000 0.228 232 S C 2.074 176.579 174.600 -0.158 0.000 1.020 232 S CA 1.152 59.261 58.200 -0.152 0.000 0.965 232 S CB -0.548 62.291 63.200 -0.600 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 1.896 121.788 119.914 -0.037 0.000 2.358 233 V HA -0.149 3.970 4.120 -0.001 0.000 0.246 233 V C 2.265 178.393 176.094 0.057 0.000 1.047 233 V CA 1.546 63.860 62.300 0.024 0.000 1.035 233 V CB -0.478 31.481 31.823 0.226 0.000 0.658 233 V HN 0.398 nan 8.190 nan 0.000 0.452 234 K N 0.112 120.584 120.400 0.120 0.000 2.032 234 K HA -0.247 4.072 4.320 -0.001 0.000 0.209 234 K C 2.283 179.009 176.600 0.211 0.000 1.048 234 K CA 1.861 58.233 56.287 0.142 0.000 0.927 234 K CB -0.249 32.391 32.500 0.234 0.000 0.712 234 K HN 0.332 nan 8.250 nan 0.000 0.441 235 K N 1.187 121.718 120.400 0.218 0.000 2.009 235 K HA -0.261 4.059 4.320 -0.001 0.000 0.210 235 K C 2.166 178.861 176.600 0.159 0.000 1.049 235 K CA 1.956 58.377 56.287 0.224 0.000 0.929 235 K CB -0.028 32.527 32.500 0.092 0.000 0.714 235 K HN -0.011 nan 8.250 nan 0.000 0.440 236 E N 0.811 121.021 120.200 0.015 0.000 2.038 236 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 236 E C 1.958 178.550 176.600 -0.014 0.000 1.000 236 E CA 1.591 57.959 56.400 -0.054 0.000 0.803 236 E CB -0.222 29.397 29.700 -0.136 0.000 0.750 236 E HN 0.373 nan 8.360 nan 0.000 0.448 237 L N -0.219 121.007 121.223 0.005 0.000 2.141 237 L HA -0.060 4.280 4.340 -0.001 0.000 0.209 237 L C 2.489 179.381 176.870 0.036 0.000 1.094 237 L CA 0.843 55.683 54.840 -0.000 0.000 0.763 237 L CB -0.550 41.495 42.059 -0.023 0.000 0.908 237 L HN 0.209 nan 8.230 nan 0.000 0.437 238 A N -0.196 122.697 122.820 0.122 0.000 1.902 238 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 238 A C 2.229 179.998 177.584 0.309 0.000 1.181 238 A CA 1.433 53.598 52.037 0.214 0.000 0.623 238 A CB -0.417 18.872 19.000 0.483 0.000 0.818 238 A HN 0.460 nan 8.150 nan 0.000 0.443 239 Q N -0.917 119.012 119.800 0.215 0.000 2.226 239 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 239 Q C 1.337 177.328 176.000 -0.015 0.000 0.975 239 Q CA 1.179 56.953 55.803 -0.047 0.000 0.866 239 Q CB -0.009 28.536 28.738 -0.321 0.000 0.915 239 Q HN 0.609 nan 8.270 nan 0.000 0.440 240 Q N -0.207 119.597 119.800 0.007 0.000 2.282 240 Q HA 0.140 4.479 4.340 -0.001 0.000 0.206 240 Q C -0.370 175.653 176.000 0.038 0.000 0.878 240 Q CA -0.009 55.797 55.803 0.006 0.000 0.944 240 Q CB 0.681 29.412 28.738 -0.011 0.000 1.100 240 Q HN 0.277 nan 8.270 nan 0.000 0.509 241 R N 0.743 121.272 120.500 0.048 0.000 3.333 241 R HA -0.205 4.135 4.340 -0.001 0.000 0.256 241 R C -0.130 176.215 176.300 0.075 0.000 1.010 241 R CA 0.462 56.587 56.100 0.042 0.000 0.680 241 R CB -1.990 28.363 30.300 0.087 0.000 1.102 241 R HN 0.380 nan 8.270 nan 0.000 0.440 242 Q N 0.092 119.921 119.800 0.049 0.000 2.186 242 Q HA 0.212 4.552 4.340 -0.001 0.000 0.241 242 Q C 1.268 177.353 176.000 0.143 0.000 0.849 242 Q CA -0.237 55.631 55.803 0.108 0.000 1.053 242 Q CB 0.526 29.292 28.738 0.046 0.000 1.146 242 Q HN 0.434 nan 8.270 nan 0.000 0.475 243 L N -0.031 121.204 121.223 0.020 0.000 2.418 243 L HA 0.048 4.388 4.340 -0.001 0.000 0.218 243 L C 0.367 177.213 176.870 -0.040 0.000 1.125 243 L CA 0.942 55.752 54.840 -0.049 0.000 0.835 243 L CB 0.332 42.163 42.059 -0.379 0.000 0.953 243 L HN 0.196 nan 8.230 nan 0.000 0.454 244 E N 0.037 120.263 120.200 0.044 0.000 2.158 244 E HA 0.512 4.862 4.350 -0.001 0.000 0.271 244 E C -1.239 175.261 176.600 -0.167 0.000 0.911 244 E CA -0.533 55.689 56.400 -0.297 0.000 0.767 244 E CB 1.543 31.236 29.700 -0.012 0.000 1.120 244 E HN -0.006 nan 8.360 nan 0.000 0.405 245 F N -0.135 119.558 119.950 -0.428 0.000 2.686 245 F HA 0.474 5.001 4.527 -0.001 0.000 0.311 245 F C -1.555 174.135 175.800 -0.183 0.000 1.128 245 F CA -1.377 56.519 58.000 -0.173 0.000 0.946 245 F CB 0.765 39.691 39.000 -0.123 0.000 1.336 245 F HN 0.152 nan 8.300 nan 0.000 0.457 246 L N 2.515 123.904 121.223 0.276 0.000 2.270 246 L HA 0.179 4.519 4.340 -0.001 0.000 0.286 246 L C -1.091 176.018 176.870 0.400 0.000 1.059 246 L CA -0.250 54.749 54.840 0.266 0.000 0.839 246 L CB 0.482 42.701 42.059 0.266 0.000 1.221 246 L HN 0.572 nan 8.230 nan 0.000 0.431 247 W N 6.780 128.209 121.300 0.214 0.000 2.437 247 W HA 0.308 4.968 4.660 -0.001 0.000 0.312 247 W C 0.299 176.853 176.519 0.057 0.000 1.242 247 W CA -1.179 56.306 57.345 0.233 0.000 1.340 247 W CB 0.370 30.010 29.460 0.300 0.000 1.327 247 W HN 0.513 nan 8.180 nan 0.000 0.476 248 R N 3.736 124.424 120.500 0.314 0.000 2.856 248 R HA 0.545 4.884 4.340 -0.001 0.000 0.258 248 R C -0.182 176.030 176.300 -0.147 0.000 1.066 248 R CA -0.962 55.142 56.100 0.006 0.000 1.045 248 R CB 1.068 31.352 30.300 -0.028 0.000 1.178 248 R HN 0.220 nan 8.270 nan 0.000 0.499 249 Q N 1.458 121.011 119.800 -0.411 0.000 2.373 249 Q HA 0.061 4.401 4.340 -0.001 0.000 0.255 249 Q C 1.489 177.092 176.000 -0.661 0.000 0.980 249 Q CA 0.100 55.457 55.803 -0.744 0.000 0.882 249 Q CB 0.902 28.737 28.738 -1.505 0.000 1.249 249 Q HN 0.841 nan 8.270 nan 0.000 0.438 250 I N -1.674 118.630 120.570 -0.443 0.000 2.399 250 I HA -0.193 3.977 4.170 -0.001 0.000 0.254 250 I C 1.288 177.341 176.117 -0.107 0.000 1.146 250 I CA 1.522 62.710 61.300 -0.186 0.000 1.412 250 I CB -0.378 37.609 38.000 -0.023 0.000 1.076 250 I HN 0.692 nan 8.210 nan 0.000 0.432 251 W N 1.369 122.736 121.300 0.113 0.000 3.278 251 W HA 0.369 5.028 4.660 -0.000 0.000 0.308 251 W C 0.272 176.876 176.519 0.142 0.000 1.253 251 W CA -0.689 56.788 57.345 0.221 0.000 1.759 251 W CB -0.719 28.955 29.460 0.357 0.000 1.093 251 W HN -0.071 nan 8.180 nan 0.000 0.648 252 D N 1.988 122.078 120.400 -0.517 0.000 2.416 252 D HA -0.042 4.597 4.640 -0.001 0.000 0.240 252 D C 1.093 177.361 176.300 -0.053 0.000 1.250 252 D CA 0.327 54.176 54.000 -0.251 0.000 0.967 252 D CB -0.030 40.540 40.800 -0.383 0.000 1.059 252 D HN 0.088 nan 8.370 nan 0.000 0.512 253 N N 3.273 122.008 118.700 0.058 0.000 2.270 253 N HA -0.125 4.615 4.740 -0.001 0.000 0.181 253 N C 1.348 176.878 175.510 0.033 0.000 1.016 253 N CA 0.607 53.684 53.050 0.046 0.000 0.870 253 N CB 0.252 38.788 38.487 0.080 0.000 0.979 253 N HN 0.409 nan 8.380 nan 0.000 0.431 254 K N -0.331 120.094 120.400 0.042 0.000 2.186 254 K HA -0.018 4.301 4.320 -0.001 0.000 0.202 254 K C 0.775 177.391 176.600 0.026 0.000 1.052 254 K CA 1.073 57.382 56.287 0.036 0.000 0.965 254 K CB 0.135 32.662 32.500 0.045 0.000 0.746 254 K HN 0.225 nan 8.250 nan 0.000 0.457 255 G N 1.023 109.830 108.800 0.012 0.000 2.163 255 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.213 255 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.213 255 G C 0.143 175.051 174.900 0.013 0.000 0.991 255 G CA 0.338 45.445 45.100 0.011 0.000 0.653 255 G HN 0.372 nan 8.290 nan 0.000 0.518 256 D N 0.642 121.049 120.400 0.013 0.000 2.348 256 D HA -0.001 4.638 4.640 -0.001 0.000 0.216 256 D C 2.527 178.821 176.300 -0.009 0.000 0.970 256 D CA 1.616 55.622 54.000 0.009 0.000 0.889 256 D CB -0.154 40.657 40.800 0.018 0.000 0.912 256 D HN 0.654 nan 8.370 nan 0.000 0.524 257 T N -1.974 112.565 114.554 -0.024 0.000 3.100 257 T HA 0.294 4.643 4.350 -0.001 0.000 0.253 257 T C 1.040 175.711 174.700 -0.048 0.000 1.118 257 T CA -0.116 61.953 62.100 -0.052 0.000 1.058 257 T CB 0.021 68.848 68.868 -0.069 0.000 0.953 257 T HN 0.062 nan 8.240 nan 0.000 0.515 258 A N 1.500 124.316 122.820 -0.006 0.000 2.567 258 A HA 0.499 4.818 4.320 -0.001 0.000 0.240 258 A C -0.219 177.396 177.584 0.053 0.000 1.053 258 A CA -0.200 51.867 52.037 0.049 0.000 0.755 258 A CB -0.254 18.797 19.000 0.084 0.000 0.978 258 A HN 0.564 nan 8.150 nan 0.000 0.507 259 L N 3.114 124.393 121.223 0.092 0.000 2.438 259 L HA 0.578 4.918 4.340 -0.001 0.000 0.270 259 L C -0.660 176.271 176.870 0.102 0.000 0.972 259 L CA -0.594 54.289 54.840 0.072 0.000 0.831 259 L CB 1.482 43.550 42.059 0.015 0.000 1.273 259 L HN 0.662 nan 8.230 nan 0.000 0.405 260 F N 3.832 123.746 119.950 -0.060 0.000 2.578 260 F HA 0.443 4.970 4.527 -0.001 0.000 0.376 260 F C 0.006 175.682 175.800 -0.207 0.000 1.085 260 F CA 0.748 58.676 58.000 -0.120 0.000 1.260 260 F CB 0.495 39.442 39.000 -0.087 0.000 1.095 260 F HN 0.581 nan 8.300 nan 0.000 0.573 261 T N 5.293 119.198 114.554 -1.083 0.000 2.886 261 T HA 0.214 4.564 4.350 -0.001 0.000 0.292 261 T C -1.688 172.345 174.700 -1.112 0.000 1.012 261 T CA -0.505 61.059 62.100 -0.893 0.000 0.982 261 T CB 0.982 69.304 68.868 -0.910 0.000 1.018 261 T HN 0.630 nan 8.240 nan 0.000 0.451 262 H N 2.677 121.409 119.070 -0.562 0.000 2.551 262 H HA 0.633 5.189 4.556 -0.001 0.000 0.321 262 H C -0.451 174.674 175.328 -0.338 0.000 1.028 262 H CA -0.745 55.102 56.048 -0.336 0.000 1.215 262 H CB 0.763 30.549 29.762 0.041 0.000 1.414 262 H HN 0.485 nan 8.280 nan 0.000 0.480 263 M N 6.646 125.947 119.600 -0.498 0.000 2.157 263 M HA 0.303 4.783 4.480 -0.001 0.000 0.354 263 M C -0.880 175.193 176.300 -0.378 0.000 1.170 263 M CA -0.592 54.467 55.300 -0.400 0.000 1.060 263 M CB 0.753 33.148 32.600 -0.340 0.000 1.615 263 M HN 0.685 nan 8.290 nan 0.000 0.460 264 M N 6.245 125.699 119.600 -0.244 0.000 2.240 264 M HA 0.188 4.667 4.480 -0.001 0.000 0.333 264 M C -1.654 174.481 176.300 -0.275 0.000 1.110 264 M CA -1.367 53.824 55.300 -0.182 0.000 1.173 264 M CB 0.350 32.865 32.600 -0.142 0.000 1.458 264 M HN 0.468 nan 8.290 nan 0.000 0.458 265 P HA 0.087 nan 4.420 nan 0.000 0.226 265 P C -0.412 176.598 177.300 -0.483 0.000 1.161 265 P CA 1.050 63.731 63.100 -0.699 0.000 0.804 265 P CB 0.225 31.079 31.700 -1.410 0.000 0.829 266 F N -2.610 117.325 119.950 -0.025 0.000 2.452 266 F HA 0.303 4.829 4.527 -0.001 0.000 0.353 266 F C 2.091 177.978 175.800 0.145 0.000 1.089 266 F CA -1.188 56.849 58.000 0.061 0.000 1.080 266 F CB -0.098 38.878 39.000 -0.041 0.000 1.399 266 F HN -0.284 nan 8.300 nan 0.000 0.492 267 Y N 0.258 120.715 120.300 0.261 0.000 2.439 267 Y HA 0.085 4.634 4.550 -0.001 0.000 0.292 267 Y C 0.800 176.623 175.900 -0.128 0.000 1.130 267 Y CA 1.011 59.129 58.100 0.029 0.000 1.254 267 Y CB 0.073 38.480 38.460 -0.089 0.000 1.000 267 Y HN 0.358 nan 8.280 nan 0.000 0.554 268 S N -1.626 113.928 115.700 -0.244 0.000 2.638 268 S HA 0.245 4.714 4.470 -0.001 0.000 0.274 268 S C -0.463 174.053 174.600 -0.140 0.000 1.157 268 S CA -0.409 57.539 58.200 -0.420 0.000 0.826 268 S CB 0.250 63.138 63.200 -0.520 0.000 1.139 268 S HN 0.286 nan 8.310 nan 0.000 0.474 269 Y N 0.853 121.111 120.300 -0.071 0.000 2.466 269 Y HA 0.326 4.876 4.550 -0.001 0.000 0.272 269 Y C 0.414 176.400 175.900 0.144 0.000 1.169 269 Y CA -0.652 57.433 58.100 -0.025 0.000 1.285 269 Y CB -0.973 37.377 38.460 -0.184 0.000 1.078 269 Y HN 0.548 nan 8.280 nan 0.000 0.523 270 D N 0.544 120.958 120.400 0.023 0.000 2.377 270 D HA 0.002 4.642 4.640 -0.001 0.000 0.245 270 D C 1.213 177.649 176.300 0.227 0.000 1.196 270 D CA -0.492 53.615 54.000 0.178 0.000 0.962 270 D CB 0.844 41.702 40.800 0.097 0.000 1.127 270 D HN 0.241 nan 8.370 nan 0.000 0.471 271 I N -0.201 120.479 120.570 0.184 0.000 2.208 271 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 271 I C -0.759 175.394 176.117 0.060 0.000 1.097 271 I CA 0.927 62.318 61.300 0.151 0.000 1.363 271 I CB -1.175 36.903 38.000 0.130 0.000 1.051 271 I HN 0.346 nan 8.210 nan 0.000 0.413 272 P HA -0.157 nan 4.420 nan 0.000 0.219 272 P C 0.591 177.548 177.300 -0.572 0.000 1.146 272 P CA 1.604 64.504 63.100 -0.334 0.000 0.808 272 P CB -0.100 31.394 31.700 -0.344 0.000 0.779 273 H N -2.945 116.103 119.070 -0.036 0.000 2.486 273 H HA 0.229 4.784 4.556 -0.001 0.000 0.284 273 H C 0.823 176.219 175.328 0.114 0.000 1.103 273 H CA 0.556 56.585 56.048 -0.033 0.000 1.089 273 H CB -0.271 29.555 29.762 0.106 0.000 1.603 273 H HN 0.104 nan 8.280 nan 0.000 0.557 274 T N -4.221 110.434 114.554 0.169 0.000 3.016 274 T HA -0.012 4.337 4.350 -0.001 0.000 0.271 274 T C 1.707 176.531 174.700 0.207 0.000 0.968 274 T CA 0.336 62.585 62.100 0.248 0.000 0.891 274 T CB -0.710 68.301 68.868 0.238 0.000 1.149 274 T HN 0.515 nan 8.240 nan 0.000 0.524 275 c N 1.346 120.023 118.600 0.128 0.000 2.563 275 c HA 0.736 5.305 4.570 -0.001 0.000 0.268 275 c C 1.306 175.500 174.090 0.172 0.000 1.365 275 c CA 0.352 56.806 56.329 0.207 0.000 1.754 275 c CB -1.082 41.522 42.510 0.158 0.000 1.932 275 c HN 0.880 nan 8.230 nan 0.000 0.536 276 G N -0.051 108.731 108.800 -0.031 0.000 2.327 276 G HA2 0.349 4.309 3.960 -0.001 0.000 0.291 276 G HA3 0.349 4.309 3.960 -0.001 0.000 0.291 276 G C -2.604 171.759 174.900 -0.896 0.000 1.290 276 G CA 0.217 45.219 45.100 -0.164 0.000 0.857 276 G HN -0.109 nan 8.290 nan 0.000 0.520 277 P HA 0.032 nan 4.420 nan 0.000 0.222 277 P C -0.011 176.884 177.300 -0.676 0.000 1.147 277 P CA 1.248 63.705 63.100 -1.072 0.000 0.790 277 P CB 0.298 31.721 31.700 -0.461 0.000 0.780 278 D N 0.581 120.676 120.400 -0.508 0.000 2.473 278 D HA 0.139 4.779 4.640 -0.001 0.000 0.226 278 D C -1.378 174.565 176.300 -0.595 0.000 1.089 278 D CA -2.672 51.072 54.000 -0.426 0.000 0.883 278 D CB 1.088 41.725 40.800 -0.271 0.000 1.029 278 D HN 0.017 nan 8.370 nan 0.000 0.517 279 P HA -0.187 nan 4.420 nan 0.000 0.219 279 P C 1.236 177.696 177.300 -1.399 0.000 1.146 279 P CA 0.820 63.127 63.100 -1.323 0.000 0.808 279 P CB 0.510 31.122 31.700 -1.813 0.000 0.779 280 K N 0.139 119.858 120.400 -1.135 0.000 2.148 280 K HA -0.058 4.262 4.320 -0.001 0.000 0.204 280 K C 1.806 178.224 176.600 -0.303 0.000 1.050 280 K CA 0.994 56.926 56.287 -0.592 0.000 0.942 280 K CB -0.165 32.187 32.500 -0.248 0.000 0.724 280 K HN -0.049 nan 8.250 nan 0.000 0.446 281 V N 0.191 119.928 119.914 -0.295 0.000 2.426 281 V HA -0.211 3.909 4.120 -0.001 0.000 0.242 281 V C 2.349 178.414 176.094 -0.048 0.000 1.036 281 V CA 1.220 63.446 62.300 -0.124 0.000 1.044 281 V CB -0.236 31.529 31.823 -0.096 0.000 0.688 281 V HN 0.461 nan 8.190 nan 0.000 0.462 282 c N -0.601 117.891 118.600 -0.180 0.000 2.411 282 c HA -0.215 4.354 4.570 -0.001 0.000 0.279 282 c C 2.990 177.041 174.090 -0.064 0.000 1.288 282 c CA 0.910 57.191 56.329 -0.079 0.000 1.764 282 c CB -1.491 40.883 42.510 -0.227 0.000 1.974 282 c HN 0.761 nan 8.230 nan 0.000 0.498 283 c N 0.780 119.256 118.600 -0.207 0.000 2.411 283 c HA -0.152 4.418 4.570 -0.001 0.000 0.279 283 c C 2.611 176.591 174.090 -0.184 0.000 1.288 283 c CA 1.240 57.504 56.329 -0.110 0.000 1.764 283 c CB -1.445 41.098 42.510 0.056 0.000 1.974 283 c HN 0.639 nan 8.230 nan 0.000 0.498 284 Q N -1.375 118.259 119.800 -0.278 0.000 2.515 284 Q HA -0.021 4.318 4.340 -0.001 0.000 0.212 284 Q C 0.543 175.877 176.000 -1.110 0.000 0.970 284 Q CA 0.943 56.387 55.803 -0.598 0.000 0.941 284 Q CB -0.025 28.330 28.738 -0.638 0.000 0.998 284 Q HN 0.744 nan 8.270 nan 0.000 0.518 285 F N -0.226 119.433 119.950 -0.484 0.000 2.735 285 F HA 0.171 4.698 4.527 -0.000 0.000 0.304 285 F C 0.164 175.687 175.800 -0.463 0.000 1.119 285 F CA -0.633 56.963 58.000 -0.674 0.000 1.280 285 F CB 0.781 39.624 39.000 -0.261 0.000 0.994 285 F HN -0.147 nan 8.300 nan 0.000 0.520 286 D N 0.100 120.286 120.400 -0.358 0.000 2.485 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.229 286 D C 0.605 176.740 176.300 -0.276 0.000 1.101 286 D CA -0.408 53.511 54.000 -0.135 0.000 0.906 286 D CB 0.106 40.869 40.800 -0.061 0.000 1.019 286 D HN 0.106 nan 8.370 nan 0.000 0.516 287 F N 1.804 121.763 119.950 0.015 0.000 2.641 287 F HA 0.033 4.559 4.527 -0.001 0.000 0.298 287 F C 2.371 178.123 175.800 -0.079 0.000 1.146 287 F CA 0.426 58.407 58.000 -0.032 0.000 1.464 287 F CB 0.066 39.069 39.000 0.006 0.000 1.101 287 F HN 0.278 nan 8.300 nan 0.000 0.585 288 K N 0.906 121.248 120.400 -0.097 0.000 2.432 288 K HA 0.026 4.345 4.320 -0.001 0.000 0.196 288 K C 0.763 177.313 176.600 -0.084 0.000 1.038 288 K CA 0.232 56.311 56.287 -0.346 0.000 0.986 288 K CB 0.117 32.272 32.500 -0.574 0.000 0.782 288 K HN 0.160 nan 8.250 nan 0.000 0.485 289 R N 0.607 121.087 120.500 -0.033 0.000 4.394 289 R HA 0.164 4.503 4.340 -0.001 0.000 0.257 289 R C 0.591 176.924 176.300 0.054 0.000 1.727 289 R CA -0.099 56.012 56.100 0.019 0.000 1.497 289 R CB 0.105 30.395 30.300 -0.015 0.000 1.406 289 R HN 0.193 nan 8.270 nan 0.000 0.745 290 M N -1.170 118.514 119.600 0.141 0.000 2.337 290 M HA 0.186 4.666 4.480 -0.001 0.000 0.256 290 M C 1.062 177.406 176.300 0.073 0.000 1.075 290 M CA 0.379 55.738 55.300 0.099 0.000 1.024 290 M CB 1.266 33.938 32.600 0.120 0.000 1.429 290 M HN 0.632 nan 8.290 nan 0.000 0.497 291 G N -0.012 108.841 108.800 0.088 0.000 3.736 291 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.196 291 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.196 291 G C 0.921 175.821 174.900 -0.001 0.000 1.811 291 G CA 0.260 45.380 45.100 0.033 0.000 1.175 291 G HN 0.360 nan 8.290 nan 0.000 0.429 292 S N 0.512 116.167 115.700 -0.076 0.000 2.440 292 S HA 0.077 4.547 4.470 -0.001 0.000 0.238 292 S C 1.868 176.288 174.600 -0.299 0.000 1.010 292 S CA 1.848 59.913 58.200 -0.225 0.000 0.972 292 S CB -0.474 62.500 63.200 -0.376 0.000 0.774 292 S HN 0.440 nan 8.310 nan 0.000 0.501 293 F N 1.870 121.817 119.950 -0.005 0.000 2.765 293 F HA 0.388 4.915 4.527 -0.001 0.000 0.302 293 F C 1.897 177.694 175.800 -0.005 0.000 1.111 293 F CA 0.096 58.092 58.000 -0.008 0.000 1.359 293 F CB -0.180 38.813 39.000 -0.012 0.000 1.097 293 F HN 0.380 nan 8.300 nan 0.000 0.577 294 G N 1.490 110.364 108.800 0.124 0.000 2.198 294 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.260 294 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.260 294 G C -0.209 174.743 174.900 0.086 0.000 1.025 294 G CA 0.118 45.266 45.100 0.079 0.000 0.769 294 G HN 0.323 nan 8.290 nan 0.000 0.507 295 L N -0.286 121.000 121.223 0.105 0.000 2.333 295 L HA 0.879 5.219 4.340 -0.001 0.000 0.263 295 L C 0.428 177.329 176.870 0.051 0.000 1.014 295 L CA -0.397 54.486 54.840 0.071 0.000 0.820 295 L CB 2.446 44.544 42.059 0.065 0.000 1.352 295 L HN 0.487 nan 8.230 nan 0.000 0.421 296 S N -0.939 114.778 115.700 0.028 0.000 2.688 296 S HA 0.501 4.971 4.470 -0.001 0.000 0.275 296 S C -1.315 173.293 174.600 0.014 0.000 1.175 296 S CA -0.829 57.380 58.200 0.014 0.000 0.818 296 S CB 1.483 64.682 63.200 -0.002 0.000 1.157 296 S HN 0.514 nan 8.310 nan 0.000 0.482 297 c N 3.213 121.826 118.600 0.021 0.000 2.265 297 c HA 0.530 5.100 4.570 -0.001 0.000 0.332 297 c C -0.902 173.161 174.090 -0.045 0.000 1.248 297 c CA -1.137 55.241 56.329 0.082 0.000 1.727 297 c CB 0.700 43.299 42.510 0.148 0.000 2.348 297 c HN 0.749 nan 8.230 nan 0.000 0.519 298 P HA -0.085 nan 4.420 nan 0.000 0.230 298 P C 1.039 178.008 177.300 -0.552 0.000 1.158 298 P CA 1.196 63.993 63.100 -0.505 0.000 0.769 298 P CB 0.090 31.340 31.700 -0.749 0.000 0.807 299 W N 0.924 122.200 121.300 -0.040 0.000 3.180 299 W HA 0.156 4.816 4.660 -0.000 0.000 0.254 299 W C 0.720 177.211 176.519 -0.048 0.000 1.318 299 W CA 0.117 57.434 57.345 -0.047 0.000 1.608 299 W CB -0.427 28.995 29.460 -0.063 0.000 1.124 299 W HN 0.162 nan 8.180 nan 0.000 0.694 300 K N -1.049 119.388 120.400 0.062 0.000 3.446 300 K HA -0.183 4.137 4.320 -0.001 0.000 0.312 300 K C -0.319 176.300 176.600 0.031 0.000 1.329 300 K CA 0.564 56.867 56.287 0.026 0.000 0.935 300 K CB -2.163 30.341 32.500 0.007 0.000 1.281 300 K HN -0.077 nan 8.250 nan 0.000 0.457 301 V N 2.109 122.053 119.914 0.050 0.000 2.407 301 V HA 0.333 4.452 4.120 -0.001 0.000 0.291 301 V C -1.803 174.273 176.094 -0.029 0.000 1.018 301 V CA -1.507 60.793 62.300 -0.001 0.000 0.842 301 V CB 1.552 33.368 31.823 -0.012 0.000 0.996 301 V HN -0.017 nan 8.190 nan 0.000 0.426 302 P HA 0.440 nan 4.420 nan 0.000 0.281 302 P C -2.822 174.378 177.300 -0.167 0.000 1.264 302 P CA -2.141 60.910 63.100 -0.082 0.000 0.824 302 P CB 0.959 32.628 31.700 -0.052 0.000 1.092 303 P HA 0.269 nan 4.420 nan 0.000 0.272 303 P C -0.454 176.728 177.300 -0.197 0.000 1.230 303 P CA 0.047 62.915 63.100 -0.388 0.000 0.788 303 P CB 0.806 32.212 31.700 -0.490 0.000 0.949 304 R N 0.003 120.401 120.500 -0.171 0.000 2.561 304 R HA 0.376 4.716 4.340 -0.001 0.000 0.297 304 R C -0.212 176.145 176.300 0.096 0.000 0.969 304 R CA -0.532 55.546 56.100 -0.037 0.000 0.879 304 R CB 1.344 31.597 30.300 -0.078 0.000 1.178 304 R HN 0.368 nan 8.270 nan 0.000 0.445 305 T N 4.129 118.736 114.554 0.090 0.000 2.933 305 T HA 0.027 4.377 4.350 -0.001 0.000 0.306 305 T C 0.671 175.372 174.700 0.001 0.000 1.045 305 T CA 0.229 62.363 62.100 0.057 0.000 1.143 305 T CB 0.167 69.045 68.868 0.017 0.000 1.003 305 T HN 0.199 nan 8.240 nan 0.000 0.540 306 I N 3.774 124.297 120.570 -0.080 0.000 2.474 306 I HA 0.279 4.449 4.170 -0.001 0.000 0.287 306 I C 0.962 177.035 176.117 -0.073 0.000 1.048 306 I CA 0.047 61.298 61.300 -0.082 0.000 1.383 306 I CB 0.538 38.445 38.000 -0.154 0.000 1.412 306 I HN 0.784 nan 8.210 nan 0.000 0.531 307 S N 3.590 119.257 115.700 -0.055 0.000 2.697 307 S HA 0.429 4.899 4.470 -0.001 0.000 0.289 307 S C 0.305 174.878 174.600 -0.045 0.000 1.149 307 S CA -0.756 57.419 58.200 -0.042 0.000 0.850 307 S CB 2.077 65.259 63.200 -0.030 0.000 1.151 307 S HN 0.490 nan 8.310 nan 0.000 0.491 308 D N 0.654 121.037 120.400 -0.028 0.000 2.182 308 D HA -0.060 4.580 4.640 -0.001 0.000 0.201 308 D C 1.600 177.881 176.300 -0.031 0.000 0.986 308 D CA 1.493 55.480 54.000 -0.021 0.000 0.847 308 D CB -0.233 40.568 40.800 0.001 0.000 0.942 308 D HN 0.551 nan 8.370 nan 0.000 0.467 309 Q N -0.017 119.766 119.800 -0.028 0.000 2.311 309 Q HA -0.016 4.324 4.340 -0.001 0.000 0.203 309 Q C 1.156 177.134 176.000 -0.037 0.000 0.954 309 Q CA 0.849 56.637 55.803 -0.026 0.000 0.885 309 Q CB -0.018 28.710 28.738 -0.017 0.000 0.963 309 Q HN 0.371 nan 8.270 nan 0.000 0.471 310 N N -1.852 116.818 118.700 -0.050 0.000 2.159 310 N HA -0.006 4.733 4.740 -0.001 0.000 0.217 310 N C 1.005 176.466 175.510 -0.081 0.000 1.223 310 N CA 0.077 53.096 53.050 -0.052 0.000 0.896 310 N CB -0.231 38.233 38.487 -0.039 0.000 1.064 310 N HN 0.036 nan 8.380 nan 0.000 0.518 311 V N 0.451 120.283 119.914 -0.136 0.000 2.490 311 V HA -0.078 4.041 4.120 -0.001 0.000 0.250 311 V C 2.202 178.060 176.094 -0.394 0.000 1.061 311 V CA 2.083 64.245 62.300 -0.230 0.000 1.064 311 V CB -0.805 30.866 31.823 -0.253 0.000 0.670 311 V HN 0.449 nan 8.190 nan 0.000 0.461 312 A N -0.301 122.273 122.820 -0.409 0.000 1.898 312 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 312 A C 2.401 180.011 177.584 0.042 0.000 1.181 312 A CA 1.909 53.813 52.037 -0.220 0.000 0.620 312 A CB -0.917 18.084 19.000 0.003 0.000 0.819 312 A HN 0.773 nan 8.150 nan 0.000 0.442 313 A N -0.550 122.275 122.820 0.008 0.000 1.930 313 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 313 A C 2.221 179.841 177.584 0.060 0.000 1.175 313 A CA 1.200 53.265 52.037 0.047 0.000 0.627 313 A CB -0.389 18.623 19.000 0.020 0.000 0.815 313 A HN 0.394 nan 8.150 nan 0.000 0.443 314 R N 0.042 120.570 120.500 0.047 0.000 2.075 314 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 314 R C 2.378 178.724 176.300 0.076 0.000 1.126 314 R CA 1.532 57.724 56.100 0.152 0.000 0.963 314 R CB -0.923 29.468 30.300 0.152 0.000 0.858 314 R HN 0.519 nan 8.270 nan 0.000 0.435 315 S N 1.294 116.979 115.700 -0.025 0.000 2.368 315 S HA -0.111 4.359 4.470 -0.001 0.000 0.224 315 S C 1.335 175.827 174.600 -0.180 0.000 1.029 315 S CA 1.239 59.332 58.200 -0.178 0.000 0.988 315 S CB -0.192 63.056 63.200 0.079 0.000 0.838 315 S HN 0.258 nan 8.310 nan 0.000 0.462 316 D N 1.637 122.123 120.400 0.142 0.000 2.106 316 D HA -0.099 4.541 4.640 -0.001 0.000 0.191 316 D C 1.922 178.236 176.300 0.023 0.000 0.997 316 D CA 0.929 55.069 54.000 0.232 0.000 0.834 316 D CB -0.461 40.466 40.800 0.213 0.000 0.956 316 D HN 0.283 nan 8.370 nan 0.000 0.448 317 L N -0.079 121.130 121.223 -0.023 0.000 1.994 317 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 317 L C 2.465 179.154 176.870 -0.301 0.000 1.071 317 L CA 0.571 55.368 54.840 -0.071 0.000 0.745 317 L CB -0.297 41.797 42.059 0.058 0.000 0.892 317 L HN 0.082 nan 8.230 nan 0.000 0.431 318 L N -0.628 120.227 121.223 -0.613 0.000 1.994 318 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 318 L C 2.382 178.568 176.870 -1.141 0.000 1.071 318 L CA 1.645 55.782 54.840 -1.171 0.000 0.745 318 L CB -0.451 40.599 42.059 -1.683 0.000 0.892 318 L HN -0.068 nan 8.230 nan 0.000 0.431 319 V N 0.037 119.391 119.914 -0.933 0.000 2.469 319 V HA -0.328 3.792 4.120 -0.001 0.000 0.251 319 V C 2.312 178.242 176.094 -0.273 0.000 1.064 319 V CA 1.983 63.899 62.300 -0.641 0.000 1.066 319 V CB -0.850 30.554 31.823 -0.698 0.000 0.667 319 V HN 0.626 nan 8.190 nan 0.000 0.461 320 D N -0.955 119.341 120.400 -0.173 0.000 2.144 320 D HA -0.185 4.454 4.640 -0.001 0.000 0.200 320 D C 2.217 178.508 176.300 -0.016 0.000 0.978 320 D CA 0.997 55.017 54.000 0.034 0.000 0.833 320 D CB -0.015 40.859 40.800 0.124 0.000 0.961 320 D HN 0.283 nan 8.370 nan 0.000 0.470 321 Q N -0.485 119.232 119.800 -0.139 0.000 2.084 321 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 321 Q C 2.055 178.082 176.000 0.044 0.000 0.978 321 Q CA 0.942 56.685 55.803 -0.100 0.000 0.844 321 Q CB -0.570 28.043 28.738 -0.210 0.000 0.898 321 Q HN 0.544 nan 8.270 nan 0.000 0.426 322 W N 1.438 122.635 121.300 -0.172 0.000 2.358 322 W HA -0.089 4.570 4.660 -0.001 0.000 0.303 322 W C 2.057 178.469 176.519 -0.178 0.000 1.208 322 W CA 0.734 57.979 57.345 -0.166 0.000 1.274 322 W CB -0.609 28.722 29.460 -0.214 0.000 1.138 322 W HN 0.206 nan 8.180 nan 0.000 0.515 323 K N 0.098 120.472 120.400 -0.042 0.000 2.217 323 K HA -0.122 4.198 4.320 -0.001 0.000 0.202 323 K C 1.940 178.409 176.600 -0.219 0.000 1.051 323 K CA 1.085 57.192 56.287 -0.299 0.000 0.952 323 K CB -0.143 31.849 32.500 -0.847 0.000 0.736 323 K HN 0.075 nan 8.250 nan 0.000 0.453 324 K N 0.910 121.275 120.400 -0.059 0.000 2.031 324 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 324 K C 2.091 178.766 176.600 0.124 0.000 1.049 324 K CA 1.099 57.465 56.287 0.131 0.000 0.939 324 K CB 0.009 32.596 32.500 0.144 0.000 0.717 324 K HN -0.003 nan 8.250 nan 0.000 0.438 325 K N 0.910 121.389 120.400 0.132 0.000 2.063 325 K HA -0.141 4.179 4.320 -0.001 0.000 0.208 325 K C 2.052 178.780 176.600 0.215 0.000 1.048 325 K CA 1.303 57.703 56.287 0.187 0.000 0.928 325 K CB -0.107 32.536 32.500 0.238 0.000 0.713 325 K HN 0.137 nan 8.250 nan 0.000 0.442 326 A N 1.276 124.205 122.820 0.183 0.000 2.019 326 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 326 A C 1.732 179.489 177.584 0.288 0.000 1.164 326 A CA 1.410 53.590 52.037 0.238 0.000 0.644 326 A CB -0.346 18.742 19.000 0.147 0.000 0.805 326 A HN 0.324 nan 8.150 nan 0.000 0.449 327 E N -0.024 120.320 120.200 0.240 0.000 2.333 327 E HA -0.084 4.266 4.350 -0.001 0.000 0.198 327 E C 1.621 178.346 176.600 0.208 0.000 1.007 327 E CA 0.589 57.140 56.400 0.251 0.000 0.845 327 E CB -0.226 29.647 29.700 0.288 0.000 0.766 327 E HN 0.714 nan 8.360 nan 0.000 0.507 328 L N -0.528 120.766 121.223 0.118 0.000 2.554 328 L HA 0.028 4.367 4.340 -0.001 0.000 0.226 328 L C 0.326 176.988 176.870 -0.348 0.000 1.137 328 L CA 0.328 55.100 54.840 -0.113 0.000 0.863 328 L CB -0.085 41.766 42.059 -0.347 0.000 0.985 328 L HN 0.016 nan 8.230 nan 0.000 0.451 329 Y N -1.625 118.760 120.300 0.141 0.000 2.630 329 Y HA 0.372 4.921 4.550 -0.001 0.000 0.337 329 Y C 1.187 177.211 175.900 0.206 0.000 1.051 329 Y CA -0.957 57.249 58.100 0.177 0.000 1.121 329 Y CB 1.123 39.699 38.460 0.192 0.000 1.299 329 Y HN -0.290 nan 8.280 nan 0.000 0.498 330 R N -0.575 120.182 120.500 0.428 0.000 2.265 330 R HA 0.093 4.432 4.340 -0.001 0.000 0.194 330 R C 0.308 176.750 176.300 0.238 0.000 0.931 330 R CA 0.716 56.979 56.100 0.271 0.000 1.032 330 R CB 0.274 30.678 30.300 0.173 0.000 0.980 330 R HN 0.762 nan 8.270 nan 0.000 0.497 331 T N -0.908 113.825 114.554 0.299 0.000 2.889 331 T HA 0.109 4.459 4.350 -0.001 0.000 0.278 331 T C 0.639 175.487 174.700 0.246 0.000 0.995 331 T CA -0.919 61.318 62.100 0.229 0.000 0.966 331 T CB 1.154 70.131 68.868 0.182 0.000 1.237 331 T HN 0.068 nan 8.240 nan 0.000 0.591 332 N N -0.099 118.710 118.700 0.181 0.000 2.295 332 N HA 0.139 4.879 4.740 -0.001 0.000 0.221 332 N C -0.703 174.774 175.510 -0.055 0.000 1.129 332 N CA -0.359 52.752 53.050 0.101 0.000 0.836 332 N CB -0.093 38.354 38.487 -0.066 0.000 1.040 332 N HN 0.369 nan 8.380 nan 0.000 0.494 333 V N 1.441 121.364 119.914 0.014 0.000 2.409 333 V HA 0.394 4.513 4.120 -0.001 0.000 0.291 333 V C -0.602 175.579 176.094 0.145 0.000 1.020 333 V CA -0.961 61.351 62.300 0.020 0.000 0.848 333 V CB 1.476 33.278 31.823 -0.035 0.000 0.990 333 V HN 0.183 nan 8.190 nan 0.000 0.430 334 L N 5.925 127.171 121.223 0.039 0.000 2.322 334 L HA 0.683 5.023 4.340 -0.001 0.000 0.281 334 L C -0.812 175.939 176.870 -0.197 0.000 1.014 334 L CA -0.464 54.328 54.840 -0.079 0.000 0.815 334 L CB 1.644 43.546 42.059 -0.262 0.000 1.247 334 L HN 0.620 nan 8.230 nan 0.000 0.421 335 L N 6.394 127.286 121.223 -0.551 0.000 2.265 335 L HA 0.545 4.885 4.340 -0.001 0.000 0.288 335 L C -0.995 175.600 176.870 -0.458 0.000 1.058 335 L CA 0.165 54.502 54.840 -0.839 0.000 0.809 335 L CB 0.743 41.822 42.059 -1.634 0.000 1.179 335 L HN 0.445 nan 8.230 nan 0.000 0.429 336 I N 7.434 127.817 120.570 -0.311 0.000 2.595 336 I HA 0.329 4.499 4.170 -0.001 0.000 0.275 336 I C -2.292 173.824 176.117 -0.002 0.000 1.092 336 I CA -2.097 59.114 61.300 -0.149 0.000 1.145 336 I CB 0.957 38.838 38.000 -0.197 0.000 1.276 336 I HN 0.422 nan 8.210 nan 0.000 0.497 337 P HA 0.122 nan 4.420 nan 0.000 0.268 337 P C -0.396 177.101 177.300 0.329 0.000 1.205 337 P CA -0.148 63.121 63.100 0.283 0.000 0.771 337 P CB 0.786 32.694 31.700 0.347 0.000 0.858 338 L N 3.559 124.993 121.223 0.352 0.000 2.454 338 L HA 0.765 5.105 4.340 -0.001 0.000 0.258 338 L C -0.070 176.830 176.870 0.048 0.000 1.025 338 L CA 0.360 55.320 54.840 0.201 0.000 0.901 338 L CB 0.453 42.571 42.059 0.098 0.000 1.210 338 L HN 0.602 nan 8.230 nan 0.000 0.457 339 G N 1.775 110.494 108.800 -0.135 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 -2.169 172.646 174.900 -0.140 0.000 1.313 339 G CA -0.257 44.539 45.100 -0.506 0.000 0.830 339 G HN 0.390 nan 8.290 nan 0.000 0.506 340 D N -1.720 118.671 120.400 -0.015 0.000 2.992 340 D HA 0.316 4.956 4.640 -0.001 0.000 0.349 340 D C -1.478 174.982 176.300 0.266 0.000 1.393 340 D CA -0.421 53.745 54.000 0.275 0.000 0.887 340 D CB 1.443 42.339 40.800 0.160 0.000 1.447 340 D HN 0.213 nan 8.370 nan 0.000 0.524 341 D N 0.321 120.924 120.400 0.339 0.000 2.390 341 D HA 0.241 4.881 4.640 -0.001 0.000 0.249 341 D C 0.133 176.587 176.300 0.257 0.000 1.144 341 D CA 0.389 54.562 54.000 0.288 0.000 0.880 341 D CB -0.218 40.859 40.800 0.462 0.000 1.182 341 D HN 0.347 nan 8.370 nan 0.000 0.451 342 F N 0.234 120.247 119.950 0.104 0.000 3.048 342 F HA -0.315 4.211 4.527 -0.001 0.000 0.269 342 F C 1.186 177.024 175.800 0.063 0.000 0.960 342 F CA 0.571 58.608 58.000 0.060 0.000 0.909 342 F CB -0.825 38.199 39.000 0.040 0.000 0.837 342 F HN 0.206 nan 8.300 nan 0.000 0.768 343 R N -0.463 120.112 120.500 0.125 0.000 2.652 343 R HA 0.450 4.789 4.340 -0.001 0.000 0.272 343 R C 0.792 177.085 176.300 -0.012 0.000 1.162 343 R CA -0.719 55.331 56.100 -0.083 0.000 1.199 343 R CB -0.129 29.989 30.300 -0.303 0.000 1.166 343 R HN 0.245 nan 8.270 nan 0.000 0.597 344 F N -0.616 119.165 119.950 -0.282 0.000 3.074 344 F HA -0.291 4.236 4.527 -0.001 0.000 0.287 344 F C 1.411 177.152 175.800 -0.099 0.000 0.932 344 F CA 1.007 58.627 58.000 -0.633 0.000 0.995 344 F CB -0.834 37.522 39.000 -1.073 0.000 0.966 344 F HN 0.578 nan 8.300 nan 0.000 0.721 345 K N -0.037 120.408 120.400 0.075 0.000 2.078 345 K HA 0.025 4.345 4.320 -0.001 0.000 0.203 345 K C 0.675 177.430 176.600 0.259 0.000 1.043 345 K CA 0.838 57.257 56.287 0.220 0.000 0.960 345 K CB 0.209 32.810 32.500 0.169 0.000 0.761 345 K HN 0.326 nan 8.250 nan 0.000 0.448 346 Q N 1.120 121.038 119.800 0.197 0.000 2.259 346 Q HA 0.152 4.491 4.340 -0.001 0.000 0.246 346 Q C 0.482 176.687 176.000 0.342 0.000 0.920 346 Q CA -0.296 55.655 55.803 0.247 0.000 0.895 346 Q CB 1.196 30.107 28.738 0.287 0.000 1.220 346 Q HN 0.193 nan 8.270 nan 0.000 0.439 347 N N 0.644 119.524 118.700 0.300 0.000 2.149 347 N HA -0.164 4.576 4.740 -0.001 0.000 0.188 347 N C 1.385 177.079 175.510 0.306 0.000 1.019 347 N CA 1.945 55.183 53.050 0.312 0.000 0.857 347 N CB -0.302 38.308 38.487 0.205 0.000 0.997 347 N HN 0.770 nan 8.380 nan 0.000 0.426 348 T N -1.017 113.704 114.554 0.279 0.000 2.915 348 T HA -0.106 4.244 4.350 -0.001 0.000 0.269 348 T C 1.731 176.637 174.700 0.342 0.000 1.071 348 T CA 1.060 63.339 62.100 0.299 0.000 1.132 348 T CB -0.092 68.939 68.868 0.272 0.000 0.878 348 T HN 0.332 nan 8.240 nan 0.000 0.479 349 E N -0.016 120.339 120.200 0.258 0.000 2.047 349 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 349 E C 1.842 178.359 176.600 -0.138 0.000 0.987 349 E CA 0.962 57.270 56.400 -0.153 0.000 0.799 349 E CB -0.297 29.145 29.700 -0.430 0.000 0.752 349 E HN 0.693 nan 8.360 nan 0.000 0.449 350 W N 1.797 123.030 121.300 -0.112 0.000 2.318 350 W HA -0.219 4.441 4.660 -0.001 0.000 0.313 350 W C 2.201 178.565 176.519 -0.259 0.000 1.221 350 W CA 1.415 58.578 57.345 -0.304 0.000 1.266 350 W CB -0.351 28.581 29.460 -0.880 0.000 1.150 350 W HN 0.206 nan 8.180 nan 0.000 0.496 351 D N -0.532 119.972 120.400 0.174 0.000 2.097 351 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 351 D C 2.268 178.668 176.300 0.167 0.000 0.989 351 D CA 1.563 55.720 54.000 0.261 0.000 0.827 351 D CB -1.012 39.947 40.800 0.265 0.000 0.966 351 D HN 0.032 nan 8.370 nan 0.000 0.456 352 V N 1.054 121.050 119.914 0.137 0.000 2.407 352 V HA -0.218 3.902 4.120 -0.001 0.000 0.248 352 V C 2.322 178.455 176.094 0.065 0.000 1.055 352 V CA 1.581 63.940 62.300 0.099 0.000 1.049 352 V CB -0.086 31.843 31.823 0.177 0.000 0.662 352 V HN 0.155 nan 8.190 nan 0.000 0.455 353 Q N -0.399 119.475 119.800 0.124 0.000 2.049 353 Q HA -0.185 4.155 4.340 -0.001 0.000 0.198 353 Q C 2.345 178.556 176.000 0.352 0.000 0.971 353 Q CA 1.877 57.849 55.803 0.283 0.000 0.833 353 Q CB -0.477 28.397 28.738 0.227 0.000 0.896 353 Q HN 0.616 nan 8.270 nan 0.000 0.434 354 R N 0.474 121.136 120.500 0.271 0.000 2.070 354 R HA -0.110 4.230 4.340 -0.001 0.000 0.233 354 R C 2.247 178.737 176.300 0.315 0.000 1.137 354 R CA 1.459 57.774 56.100 0.357 0.000 0.945 354 R CB -0.116 30.383 30.300 0.332 0.000 0.845 354 R HN 0.063 nan 8.270 nan 0.000 0.430 355 V N 2.021 122.034 119.914 0.164 0.000 2.295 355 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 355 V C 2.061 178.099 176.094 -0.093 0.000 1.049 355 V CA 1.953 64.288 62.300 0.058 0.000 1.024 355 V CB -0.653 31.191 31.823 0.035 0.000 0.648 355 V HN 0.445 nan 8.190 nan 0.000 0.447 356 N N -0.740 117.790 118.700 -0.284 0.000 2.120 356 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 356 N C 1.862 177.056 175.510 -0.526 0.000 1.024 356 N CA 1.660 54.329 53.050 -0.635 0.000 0.852 356 N CB -0.333 37.172 38.487 -1.637 0.000 1.003 356 N HN 0.534 nan 8.380 nan 0.000 0.424 357 Y N 1.971 122.070 120.300 -0.336 0.000 2.242 357 Y HA -0.083 4.467 4.550 -0.001 0.000 0.291 357 Y C 2.379 177.758 175.900 -0.868 0.000 1.137 357 Y CA 1.066 58.849 58.100 -0.528 0.000 1.181 357 Y CB -0.056 38.196 38.460 -0.348 0.000 0.989 357 Y HN 0.136 nan 8.280 nan 0.000 0.527 358 E N -0.231 119.824 120.200 -0.243 0.000 2.110 358 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 358 E C 2.201 178.749 176.600 -0.087 0.000 0.988 358 E CA 0.978 57.315 56.400 -0.104 0.000 0.804 358 E CB -0.149 29.631 29.700 0.133 0.000 0.745 358 E HN 0.491 nan 8.360 nan 0.000 0.458 359 R N 0.421 120.850 120.500 -0.118 0.000 2.081 359 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 359 R C 2.490 178.762 176.300 -0.048 0.000 1.131 359 R CA 0.869 56.931 56.100 -0.063 0.000 0.960 359 R CB -0.277 29.966 30.300 -0.095 0.000 0.856 359 R HN 0.159 nan 8.270 nan 0.000 0.436 360 L N -0.369 120.753 121.223 -0.169 0.000 2.017 360 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 360 L C 2.229 179.140 176.870 0.069 0.000 1.073 360 L CA 1.532 56.307 54.840 -0.109 0.000 0.745 360 L CB -0.436 41.467 42.059 -0.260 0.000 0.894 360 L HN 0.170 nan 8.230 nan 0.000 0.432 361 F N -0.094 119.876 119.950 0.033 0.000 2.134 361 F HA -0.243 4.284 4.527 -0.001 0.000 0.299 361 F C 2.713 178.523 175.800 0.017 0.000 1.097 361 F CA 1.033 59.040 58.000 0.010 0.000 1.264 361 F CB -0.256 38.705 39.000 -0.065 0.000 1.001 361 F HN 0.166 nan 8.300 nan 0.000 0.479 362 E N 0.100 120.430 120.200 0.218 0.000 2.085 362 E HA -0.318 4.032 4.350 -0.001 0.000 0.194 362 E C 1.988 178.673 176.600 0.141 0.000 0.994 362 E CA 1.650 58.138 56.400 0.146 0.000 0.801 362 E CB -0.208 29.560 29.700 0.113 0.000 0.743 362 E HN 0.508 nan 8.360 nan 0.000 0.453 363 H N 0.196 119.315 119.070 0.082 0.000 2.299 363 H HA -0.054 4.502 4.556 -0.001 0.000 0.302 363 H C 2.053 177.468 175.328 0.144 0.000 1.078 363 H CA 2.175 58.282 56.048 0.100 0.000 1.323 363 H CB -0.190 29.627 29.762 0.092 0.000 1.381 363 H HN 0.159 nan 8.280 nan 0.000 0.498 364 I N 0.560 121.209 120.570 0.132 0.000 2.163 364 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 364 I C 1.602 177.747 176.117 0.048 0.000 1.085 364 I CA 1.453 62.791 61.300 0.064 0.000 1.347 364 I CB -0.312 37.678 38.000 -0.017 0.000 1.044 364 I HN 0.377 nan 8.210 nan 0.000 0.408 365 N N 0.280 119.000 118.700 0.034 0.000 2.459 365 N HA -0.098 4.642 4.740 -0.001 0.000 0.181 365 N C 1.703 177.195 175.510 -0.029 0.000 1.046 365 N CA 1.367 54.409 53.050 -0.013 0.000 0.904 365 N CB -0.238 38.232 38.487 -0.028 0.000 0.964 365 N HN 0.411 nan 8.380 nan 0.000 0.444 366 S N -1.154 114.521 115.700 -0.041 0.000 2.540 366 S HA 0.169 4.638 4.470 -0.001 0.000 0.218 366 S C 0.482 175.019 174.600 -0.104 0.000 0.977 366 S CA -0.292 57.874 58.200 -0.057 0.000 0.918 366 S CB 0.343 63.522 63.200 -0.035 0.000 0.806 366 S HN -0.071 nan 8.310 nan 0.000 0.496 367 Q N 1.487 121.196 119.800 -0.152 0.000 2.509 367 Q HA 0.553 4.893 4.340 -0.001 0.000 0.230 367 Q C 1.024 176.854 176.000 -0.283 0.000 1.089 367 Q CA 0.051 55.700 55.803 -0.258 0.000 0.901 367 Q CB 1.042 29.526 28.738 -0.423 0.000 1.208 367 Q HN 0.448 nan 8.270 nan 0.000 0.529 368 A N 2.566 125.287 122.820 -0.165 0.000 1.958 368 A HA -0.281 4.038 4.320 -0.001 0.000 0.221 368 A C 1.598 179.096 177.584 -0.143 0.000 1.178 368 A CA 2.299 54.267 52.037 -0.115 0.000 0.642 368 A CB -0.764 18.204 19.000 -0.054 0.000 0.816 368 A HN 0.887 nan 8.150 nan 0.000 0.453 369 H N -3.124 115.871 119.070 -0.125 0.000 2.518 369 H HA -0.019 4.537 4.556 -0.001 0.000 0.292 369 H C 1.413 176.705 175.328 -0.059 0.000 1.068 369 H CA 1.540 57.509 56.048 -0.132 0.000 1.275 369 H CB -0.749 28.877 29.762 -0.227 0.000 1.375 369 H HN 0.534 nan 8.280 nan 0.000 0.563 370 F N 0.760 120.426 119.950 -0.472 0.000 2.512 370 F HA 0.040 4.567 4.527 -0.001 0.000 0.296 370 F C 0.626 176.387 175.800 -0.065 0.000 1.110 370 F CA 0.011 57.897 58.000 -0.189 0.000 1.446 370 F CB 0.045 38.909 39.000 -0.228 0.000 1.092 370 F HN 0.098 nan 8.300 nan 0.000 0.554 371 N N 1.213 119.970 118.700 0.096 0.000 2.705 371 N HA -0.171 4.569 4.740 -0.001 0.000 0.255 371 N C -1.076 174.431 175.510 -0.005 0.000 1.008 371 N CA 0.356 53.441 53.050 0.059 0.000 0.742 371 N CB -1.373 37.193 38.487 0.131 0.000 0.906 371 N HN 0.037 nan 8.380 nan 0.000 0.541 372 V N 0.682 120.580 119.914 -0.028 0.000 2.735 372 V HA 0.379 4.499 4.120 -0.001 0.000 0.310 372 V C 0.117 176.126 176.094 -0.142 0.000 1.061 372 V CA -0.668 61.560 62.300 -0.121 0.000 0.913 372 V CB 2.458 34.242 31.823 -0.065 0.000 1.005 372 V HN 0.207 nan 8.190 nan 0.000 0.428 373 Q N 3.250 122.905 119.800 -0.241 0.000 2.363 373 Q HA 0.757 5.096 4.340 -0.001 0.000 0.265 373 Q C -0.813 174.922 176.000 -0.441 0.000 1.032 373 Q CA -0.136 55.502 55.803 -0.275 0.000 0.746 373 Q CB 1.578 30.157 28.738 -0.264 0.000 1.237 373 Q HN 0.987 nan 8.270 nan 0.000 0.475 374 A N 4.118 126.663 122.820 -0.458 0.000 2.355 374 A HA 0.944 5.263 4.320 -0.001 0.000 0.324 374 A C -1.152 175.746 177.584 -1.144 0.000 1.117 374 A CA -0.476 51.113 52.037 -0.747 0.000 0.785 374 A CB 1.275 20.004 19.000 -0.451 0.000 1.254 374 A HN 0.781 nan 8.150 nan 0.000 0.453 375 Q N 0.868 119.877 119.800 -1.318 0.000 2.687 375 Q HA 0.397 4.736 4.340 -0.001 0.000 0.295 375 Q C -1.608 173.947 176.000 -0.742 0.000 0.920 375 Q CA -0.606 54.457 55.803 -1.233 0.000 0.766 375 Q CB 0.592 29.000 28.738 -0.550 0.000 1.467 375 Q HN 0.487 nan 8.270 nan 0.000 0.415 376 F N 0.204 120.062 119.950 -0.152 0.000 2.459 376 F HA 0.642 5.169 4.527 -0.001 0.000 0.346 376 F C 1.238 177.092 175.800 0.091 0.000 1.128 376 F CA 1.066 59.107 58.000 0.067 0.000 1.268 376 F CB 1.347 40.443 39.000 0.160 0.000 1.161 376 F HN 0.753 nan 8.300 nan 0.000 0.583 377 G N 0.488 109.478 108.800 0.316 0.000 2.687 377 G HA2 0.574 4.534 3.960 -0.001 0.000 0.291 377 G HA3 0.574 4.534 3.960 -0.001 0.000 0.291 377 G C -1.200 173.707 174.900 0.011 0.000 1.420 377 G CA -0.748 44.472 45.100 0.200 0.000 0.796 377 G HN 0.648 nan 8.290 nan 0.000 0.485 378 T N -1.836 112.645 114.554 -0.123 0.000 2.937 378 T HA 0.475 4.825 4.350 -0.001 0.000 0.283 378 T C 1.288 175.843 174.700 -0.242 0.000 1.012 378 T CA -0.471 61.524 62.100 -0.174 0.000 0.997 378 T CB 1.520 70.296 68.868 -0.153 0.000 1.136 378 T HN 0.544 nan 8.240 nan 0.000 0.551 379 L N 0.506 121.586 121.223 -0.239 0.000 2.046 379 L HA 0.019 4.359 4.340 -0.001 0.000 0.208 379 L C 2.759 179.587 176.870 -0.071 0.000 1.077 379 L CA 1.971 56.695 54.840 -0.193 0.000 0.747 379 L CB -1.141 40.841 42.059 -0.128 0.000 0.896 379 L HN 0.887 nan 8.230 nan 0.000 0.432 380 Q N -0.053 119.731 119.800 -0.027 0.000 2.124 380 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 380 Q C 2.078 178.013 176.000 -0.109 0.000 0.977 380 Q CA 1.954 57.778 55.803 0.034 0.000 0.850 380 Q CB -0.181 28.549 28.738 -0.014 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.199 118.842 120.200 -0.265 0.000 2.077 381 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 381 E C 1.685 177.833 176.600 -0.755 0.000 0.989 381 E CA 1.207 57.318 56.400 -0.482 0.000 0.800 381 E CB -0.307 29.010 29.700 -0.638 0.000 0.746 381 E HN 0.479 nan 8.360 nan 0.000 0.452 382 Y N 0.512 120.280 120.300 -0.886 0.000 2.114 382 Y HA -0.257 4.293 4.550 -0.001 0.000 0.284 382 Y C 1.845 177.444 175.900 -0.501 0.000 1.143 382 Y CA 1.687 59.289 58.100 -0.831 0.000 1.135 382 Y CB -0.632 37.367 38.460 -0.769 0.000 0.980 382 Y HN -0.029 nan 8.280 nan 0.000 0.499 383 F N 0.562 120.247 119.950 -0.441 0.000 2.134 383 F HA -0.237 4.289 4.527 -0.001 0.000 0.299 383 F C 2.234 177.813 175.800 -0.369 0.000 1.097 383 F CA 1.274 59.005 58.000 -0.448 0.000 1.264 383 F CB -0.339 38.607 39.000 -0.090 0.000 1.001 383 F HN 0.087 nan 8.300 nan 0.000 0.479 384 D N 0.352 120.703 120.400 -0.081 0.000 2.123 384 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 384 D C 2.279 178.499 176.300 -0.133 0.000 0.992 384 D CA 1.479 55.436 54.000 -0.071 0.000 0.833 384 D CB -0.568 40.177 40.800 -0.092 0.000 0.954 384 D HN 0.250 nan 8.370 nan 0.000 0.455 385 A N 0.386 123.065 122.820 -0.236 0.000 1.930 385 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 385 A C 2.517 179.970 177.584 -0.218 0.000 1.175 385 A CA 0.917 52.859 52.037 -0.158 0.000 0.627 385 A CB -0.643 18.347 19.000 -0.018 0.000 0.815 385 A HN 0.138 nan 8.150 nan 0.000 0.443 386 V N -0.162 119.483 119.914 -0.448 0.000 2.287 386 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 386 V C 2.428 178.317 176.094 -0.341 0.000 1.053 386 V CA 2.142 64.164 62.300 -0.463 0.000 1.027 386 V CB -0.961 30.397 31.823 -0.774 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.296 118.652 119.070 -0.203 0.000 2.462 387 H HA -0.080 4.475 4.556 -0.001 0.000 0.292 387 H C 2.405 177.693 175.328 -0.066 0.000 1.049 387 H CA 1.358 57.321 56.048 -0.142 0.000 1.334 387 H CB -0.040 29.600 29.762 -0.202 0.000 1.404 387 H HN 0.565 nan 8.280 nan 0.000 0.544 388 Q N 0.181 119.989 119.800 0.013 0.000 2.119 388 Q HA -0.032 4.308 4.340 -0.001 0.000 0.201 388 Q C 2.555 178.565 176.000 0.017 0.000 0.972 388 Q CA 1.167 56.978 55.803 0.012 0.000 0.847 388 Q CB 0.037 28.773 28.738 -0.004 0.000 0.903 388 Q HN 0.387 nan 8.270 nan 0.000 0.433 389 A N 1.194 124.017 122.820 0.005 0.000 1.902 389 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 389 A C 1.956 179.558 177.584 0.030 0.000 1.181 389 A CA 1.614 53.667 52.037 0.027 0.000 0.623 389 A CB -0.567 18.453 19.000 0.033 0.000 0.818 389 A HN 0.450 nan 8.150 nan 0.000 0.443 390 E N -0.179 120.048 120.200 0.046 0.000 2.038 390 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 390 E C 2.216 178.841 176.600 0.042 0.000 1.000 390 E CA 1.358 57.789 56.400 0.051 0.000 0.803 390 E CB -0.174 29.654 29.700 0.214 0.000 0.750 390 E HN 0.558 nan 8.360 nan 0.000 0.448 391 R N -0.370 120.163 120.500 0.056 0.000 2.152 391 R HA -0.056 4.283 4.340 -0.001 0.000 0.232 391 R C 1.935 178.250 176.300 0.024 0.000 1.117 391 R CA 0.824 56.946 56.100 0.038 0.000 0.981 391 R CB -0.116 30.204 30.300 0.033 0.000 0.870 391 R HN 0.154 nan 8.270 nan 0.000 0.451 392 A N 0.175 123.009 122.820 0.024 0.000 2.259 392 A HA 0.225 4.544 4.320 -0.001 0.000 0.208 392 A C 1.236 178.829 177.584 0.015 0.000 1.201 392 A CA 0.620 52.670 52.037 0.022 0.000 0.824 392 A CB -0.115 18.904 19.000 0.031 0.000 0.838 392 A HN 0.416 nan 8.150 nan 0.000 0.485 393 G N -0.757 108.047 108.800 0.006 0.000 2.160 393 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.251 393 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.251 393 G C 0.746 175.637 174.900 -0.015 0.000 1.008 393 G CA 0.650 45.746 45.100 -0.008 0.000 0.724 393 G HN 0.601 nan 8.290 nan 0.000 0.514 394 Q N -0.662 119.134 119.800 -0.006 0.000 2.389 394 Q HA 0.511 4.850 4.340 -0.001 0.000 0.204 394 Q C 1.052 177.028 176.000 -0.039 0.000 0.944 394 Q CA 1.411 57.218 55.803 0.007 0.000 0.908 394 Q CB 0.025 28.801 28.738 0.064 0.000 1.002 394 Q HN 1.393 nan 8.270 nan 0.000 0.493 395 A N 0.167 122.911 122.820 -0.126 0.000 2.608 395 A HA 0.518 4.837 4.320 -0.001 0.000 0.292 395 A C -1.745 175.597 177.584 -0.403 0.000 1.066 395 A CA -0.706 51.171 52.037 -0.266 0.000 0.676 395 A CB 1.592 20.377 19.000 -0.359 0.000 1.277 395 A HN 0.189 nan 8.150 nan 0.000 0.413 396 E N 0.491 120.438 120.200 -0.421 0.000 2.272 396 E HA 0.677 5.027 4.350 -0.001 0.000 0.269 396 E C -1.795 174.609 176.600 -0.328 0.000 0.877 396 E CA -0.460 55.761 56.400 -0.299 0.000 0.755 396 E CB 1.281 30.924 29.700 -0.095 0.000 1.192 396 E HN 0.462 nan 8.360 nan 0.000 0.422 397 F N 3.895 123.954 119.950 0.182 0.000 2.422 397 F HA 0.440 4.967 4.527 -0.000 0.000 0.333 397 F C -1.614 174.295 175.800 0.182 0.000 1.095 397 F CA -1.781 56.354 58.000 0.225 0.000 1.038 397 F CB 1.112 40.331 39.000 0.366 0.000 1.156 397 F HN 0.323 nan 8.300 nan 0.000 0.483 398 P HA 0.124 nan 4.420 nan 0.000 0.272 398 P C -0.655 176.793 177.300 0.246 0.000 1.230 398 P CA -0.342 62.895 63.100 0.228 0.000 0.788 398 P CB 0.931 32.736 31.700 0.174 0.000 0.949 399 T N -0.738 113.911 114.554 0.159 0.000 2.902 399 T HA 0.694 5.044 4.350 -0.001 0.000 0.283 399 T C -0.315 174.420 174.700 0.058 0.000 1.009 399 T CA -0.812 61.375 62.100 0.145 0.000 1.051 399 T CB 1.122 70.051 68.868 0.102 0.000 0.999 399 T HN 0.467 nan 8.240 nan 0.000 0.474 400 L N 1.657 122.910 121.223 0.051 0.000 2.466 400 L HA 0.742 5.082 4.340 -0.001 0.000 0.258 400 L C -0.809 176.053 176.870 -0.014 0.000 0.973 400 L CA -0.424 54.335 54.840 -0.135 0.000 0.826 400 L CB 2.204 43.929 42.059 -0.558 0.000 1.372 400 L HN 1.131 nan 8.230 nan 0.000 0.409 401 S N 2.240 117.890 115.700 -0.083 0.000 2.618 401 S HA 1.053 5.523 4.470 -0.001 0.000 0.277 401 S C -0.397 174.145 174.600 -0.097 0.000 1.138 401 S CA -0.039 58.181 58.200 0.033 0.000 0.844 401 S CB 2.005 65.174 63.200 -0.050 0.000 1.127 401 S HN 1.732 nan 8.310 nan 0.000 0.474 402 G N 1.016 109.807 108.800 -0.016 0.000 2.343 402 G HA2 0.333 4.292 3.960 -0.001 0.000 0.562 402 G HA3 0.333 4.292 3.960 -0.001 0.000 0.562 402 G C -1.741 173.062 174.900 -0.161 0.000 1.269 402 G CA -0.006 44.980 45.100 -0.190 0.000 1.011 402 G HN 1.294 nan 8.290 nan 0.000 0.498 403 D N -1.738 118.426 120.400 -0.393 0.000 2.687 403 D HA 0.753 5.393 4.640 -0.001 0.000 0.264 403 D C -0.549 175.208 176.300 -0.905 0.000 1.091 403 D CA -1.081 52.701 54.000 -0.363 0.000 1.123 403 D CB 0.998 41.751 40.800 -0.078 0.000 1.407 403 D HN 0.429 nan 8.370 nan 0.000 0.591 404 F N -0.548 119.253 119.950 -0.249 0.000 2.679 404 F HA 0.414 4.941 4.527 -0.001 0.000 0.354 404 F C -0.844 174.772 175.800 -0.306 0.000 1.423 404 F CA -0.644 57.216 58.000 -0.232 0.000 1.141 404 F CB 0.314 39.216 39.000 -0.163 0.000 1.168 404 F HN 0.001 nan 8.300 nan 0.000 0.530 405 F N -0.621 119.505 119.950 0.294 0.000 2.546 405 F HA 0.530 5.057 4.527 -0.000 0.000 0.320 405 F C 0.462 176.537 175.800 0.458 0.000 1.076 405 F CA -1.139 57.114 58.000 0.422 0.000 0.928 405 F CB 2.055 41.293 39.000 0.397 0.000 1.189 405 F HN -0.265 nan 8.300 nan 0.000 0.465 406 T N 1.834 116.805 114.554 0.694 0.000 2.795 406 T HA 0.157 4.506 4.350 -0.001 0.000 0.282 406 T C -0.945 174.238 174.700 0.804 0.000 0.980 406 T CA -0.304 62.267 62.100 0.785 0.000 1.012 406 T CB 0.334 69.528 68.868 0.544 0.000 0.936 406 T HN 0.370 nan 8.240 nan 0.000 0.457 407 Y N 3.010 123.644 120.300 0.558 0.000 2.597 407 Y HA 0.399 4.949 4.550 -0.001 0.000 0.336 407 Y C -0.160 175.759 175.900 0.033 0.000 1.216 407 Y CA -0.965 57.284 58.100 0.248 0.000 1.463 407 Y CB 0.156 38.663 38.460 0.077 0.000 1.303 407 Y HN 0.676 nan 8.280 nan 0.000 0.576 408 A N 5.311 127.608 122.820 -0.871 0.000 2.381 408 A HA 0.339 4.659 4.320 -0.001 0.000 0.299 408 A C -0.106 176.833 177.584 -1.074 0.000 1.049 408 A CA -0.259 51.145 52.037 -1.056 0.000 0.715 408 A CB 0.657 18.758 19.000 -1.498 0.000 1.222 408 A HN 0.807 nan 8.150 nan 0.000 0.428 409 D N 1.790 121.697 120.400 -0.822 0.000 2.333 409 D HA 0.041 4.681 4.640 -0.001 0.000 0.208 409 D C 0.535 176.880 176.300 0.075 0.000 0.984 409 D CA 0.574 54.377 54.000 -0.328 0.000 0.873 409 D CB 0.176 40.895 40.800 -0.135 0.000 0.935 409 D HN 0.740 nan 8.370 nan 0.000 0.521 410 R N -1.232 119.253 120.500 -0.026 0.000 2.687 410 R HA 0.322 4.661 4.340 -0.001 0.000 0.265 410 R C 0.253 176.482 176.300 -0.118 0.000 1.048 410 R CA -0.048 55.894 56.100 -0.264 0.000 0.884 410 R CB 0.620 30.824 30.300 -0.160 0.000 1.258 410 R HN -0.020 nan 8.270 nan 0.000 0.469 411 S N 1.195 116.763 115.700 -0.221 0.000 4.136 411 S HA -0.386 4.084 4.470 -0.001 0.000 0.539 411 S C 0.679 175.396 174.600 0.195 0.000 1.754 411 S CA 1.804 60.018 58.200 0.023 0.000 4.093 411 S CB -1.637 61.562 63.200 -0.002 0.000 1.066 411 S HN 1.065 nan 8.310 nan 0.000 0.491 412 D N 1.657 122.154 120.400 0.161 0.000 2.501 412 D HA 0.198 4.838 4.640 -0.001 0.000 0.226 412 D C -0.241 176.213 176.300 0.257 0.000 1.198 412 D CA -0.330 53.846 54.000 0.293 0.000 0.830 412 D CB -1.529 39.406 40.800 0.224 0.000 1.014 412 D HN 0.662 nan 8.370 nan 0.000 0.496 413 N N 0.978 119.727 118.700 0.082 0.000 2.739 413 N HA 0.050 4.790 4.740 -0.001 0.000 0.266 413 N C -0.939 174.629 175.510 0.096 0.000 1.168 413 N CA -0.299 52.794 53.050 0.072 0.000 1.055 413 N CB 0.143 38.650 38.487 0.032 0.000 1.393 413 N HN 0.130 nan 8.380 nan 0.000 0.514 414 Y N 0.254 120.654 120.300 0.168 0.000 2.316 414 Y HA 0.104 4.653 4.550 -0.001 0.000 0.331 414 Y C 0.109 176.211 175.900 0.335 0.000 1.083 414 Y CA -0.651 57.604 58.100 0.258 0.000 1.206 414 Y CB 0.534 39.096 38.460 0.169 0.000 1.195 414 Y HN 0.395 nan 8.280 nan 0.000 0.497 415 W N 2.486 123.908 121.300 0.204 0.000 1.694 415 W HA 0.212 4.872 4.660 -0.000 0.000 0.425 415 W C 0.845 177.377 176.519 0.022 0.000 0.615 415 W CA -0.543 56.956 57.345 0.257 0.000 2.237 415 W CB -0.585 29.154 29.460 0.464 0.000 1.478 415 W HN 0.542 nan 8.180 nan 0.000 0.427 416 S N -2.130 113.570 115.700 -0.001 0.000 2.556 416 S HA 0.135 4.605 4.470 -0.001 0.000 0.216 416 S C 1.948 176.242 174.600 -0.509 0.000 0.970 416 S CA 0.311 58.101 58.200 -0.683 0.000 0.912 416 S CB 0.186 63.356 63.200 -0.051 0.000 0.790 416 S HN 0.337 nan 8.310 nan 0.000 0.504 417 G N 2.010 110.733 108.800 -0.127 0.000 2.408 417 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 417 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 417 G C 1.246 176.128 174.900 -0.030 0.000 1.150 417 G CA 0.860 45.906 45.100 -0.089 0.000 0.776 417 G HN 0.790 nan 8.290 nan 0.000 0.542 418 Y N -0.751 119.520 120.300 -0.047 0.000 2.639 418 Y HA 0.152 4.702 4.550 -0.001 0.000 0.297 418 Y C 1.926 177.959 175.900 0.221 0.000 1.151 418 Y CA 0.040 58.192 58.100 0.086 0.000 1.335 418 Y CB -0.535 38.057 38.460 0.220 0.000 0.994 418 Y HN 0.347 nan 8.280 nan 0.000 0.548 419 Y N 0.171 120.274 120.300 -0.329 0.000 2.571 419 Y HA -0.082 4.468 4.550 -0.001 0.000 0.294 419 Y C 1.476 177.328 175.900 -0.080 0.000 1.141 419 Y CA 0.593 58.509 58.100 -0.307 0.000 1.308 419 Y CB 0.212 38.527 38.460 -0.242 0.000 1.002 419 Y HN 0.255 nan 8.280 nan 0.000 0.551 420 T N -2.255 112.377 114.554 0.130 0.000 2.964 420 T HA 0.042 4.391 4.350 -0.001 0.000 0.250 420 T C 0.647 175.440 174.700 0.155 0.000 0.982 420 T CA -0.160 62.013 62.100 0.122 0.000 0.959 420 T CB 0.105 69.014 68.868 0.069 0.000 1.141 420 T HN -0.087 nan 8.240 nan 0.000 0.494 421 S N 2.490 118.279 115.700 0.149 0.000 2.573 421 S HA 0.142 4.612 4.470 -0.001 0.000 0.297 421 S C 0.426 175.165 174.600 0.232 0.000 1.280 421 S CA 0.037 58.336 58.200 0.165 0.000 1.061 421 S CB 0.046 63.325 63.200 0.133 0.000 0.812 421 S HN 0.409 nan 8.310 nan 0.000 0.500 422 R N 1.095 121.747 120.500 0.255 0.000 3.127 422 R HA -0.129 4.211 4.340 -0.001 0.000 0.247 422 R C -1.904 174.645 176.300 0.415 0.000 0.896 422 R CA 0.720 57.047 56.100 0.378 0.000 0.624 422 R CB -1.621 28.937 30.300 0.429 0.000 1.154 422 R HN 0.519 nan 8.270 nan 0.000 0.474 423 P HA -0.221 nan 4.420 nan 0.000 0.223 423 P C 1.094 178.602 177.300 0.346 0.000 1.151 423 P CA 0.980 64.296 63.100 0.359 0.000 0.787 423 P CB -0.016 31.939 31.700 0.425 0.000 0.788 424 Y N 1.592 121.977 120.300 0.142 0.000 2.128 424 Y HA -0.254 4.295 4.550 -0.001 0.000 0.284 424 Y C 2.240 178.106 175.900 -0.056 0.000 1.154 424 Y CA 2.090 60.188 58.100 -0.003 0.000 1.149 424 Y CB -0.975 37.349 38.460 -0.227 0.000 0.976 424 Y HN 0.067 nan 8.280 nan 0.000 0.505 425 H N -0.917 118.389 119.070 0.393 0.000 2.502 425 H HA 0.041 4.596 4.556 -0.001 0.000 0.283 425 H C 1.984 177.438 175.328 0.210 0.000 1.015 425 H CA 1.160 57.337 56.048 0.215 0.000 1.298 425 H CB -0.043 29.902 29.762 0.305 0.000 1.411 425 H HN 0.257 nan 8.280 nan 0.000 0.556 426 K N 0.320 120.924 120.400 0.340 0.000 2.097 426 K HA -0.113 4.207 4.320 -0.001 0.000 0.205 426 K C 2.188 178.841 176.600 0.088 0.000 1.050 426 K CA 0.976 57.417 56.287 0.258 0.000 0.938 426 K CB 0.148 32.772 32.500 0.208 0.000 0.718 426 K HN 0.033 nan 8.250 nan 0.000 0.442 427 R N 1.451 121.967 120.500 0.027 0.000 2.073 427 R HA 0.030 4.369 4.340 -0.001 0.000 0.229 427 R C 2.031 178.085 176.300 -0.410 0.000 1.120 427 R CA 1.358 57.406 56.100 -0.087 0.000 0.967 427 R CB -0.456 29.882 30.300 0.064 0.000 0.862 427 R HN 0.122 nan 8.270 nan 0.000 0.436 428 M N 0.437 119.655 119.600 -0.638 0.000 2.149 428 M HA -0.207 4.272 4.480 -0.001 0.000 0.261 428 M C 1.419 177.336 176.300 -0.639 0.000 1.064 428 M CA 2.447 57.078 55.300 -1.116 0.000 1.102 428 M CB -0.336 31.791 32.600 -0.789 0.000 1.369 428 M HN 0.305 nan 8.290 nan 0.000 0.408 429 D N -0.265 119.970 120.400 -0.275 0.000 2.116 429 D HA -0.219 4.420 4.640 -0.001 0.000 0.193 429 D C 1.879 178.088 176.300 -0.151 0.000 0.998 429 D CA 1.473 55.426 54.000 -0.078 0.000 0.836 429 D CB 0.112 41.028 40.800 0.192 0.000 0.951 429 D HN 0.238 nan 8.370 nan 0.000 0.449 430 R N 0.058 120.456 120.500 -0.169 0.000 2.115 430 R HA -0.009 4.330 4.340 -0.001 0.000 0.226 430 R C 2.421 178.607 176.300 -0.189 0.000 1.100 430 R CA 0.422 56.431 56.100 -0.152 0.000 0.980 430 R CB -0.953 29.278 30.300 -0.116 0.000 0.875 430 R HN 0.266 nan 8.270 nan 0.000 0.445 431 V N 1.483 121.184 119.914 -0.355 0.000 2.270 431 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 431 V C 2.351 178.265 176.094 -0.301 0.000 1.043 431 V CA 1.452 63.526 62.300 -0.377 0.000 1.014 431 V CB -0.565 30.723 31.823 -0.891 0.000 0.645 431 V HN 0.132 nan 8.190 nan 0.000 0.447 432 L N -0.312 120.649 121.223 -0.436 0.000 2.083 432 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 432 L C 2.302 179.093 176.870 -0.132 0.000 1.083 432 L CA 2.042 56.693 54.840 -0.314 0.000 0.752 432 L CB -0.705 41.165 42.059 -0.316 0.000 0.899 432 L HN 0.345 nan 8.230 nan 0.000 0.433 433 M N -1.285 118.237 119.600 -0.129 0.000 2.073 433 M HA -0.328 4.151 4.480 -0.001 0.000 0.258 433 M C 2.383 178.639 176.300 -0.074 0.000 1.070 433 M CA 2.440 57.669 55.300 -0.118 0.000 1.103 433 M CB -0.431 32.069 32.600 -0.167 0.000 1.321 433 M HN 0.559 nan 8.290 nan 0.000 0.405 434 H N -0.693 118.333 119.070 -0.074 0.000 2.357 434 H HA -0.154 4.401 4.556 -0.001 0.000 0.301 434 H C 1.463 176.832 175.328 0.070 0.000 1.082 434 H CA 2.312 58.350 56.048 -0.017 0.000 1.342 434 H CB -0.377 29.383 29.762 -0.003 0.000 1.389 434 H HN 0.481 nan 8.280 nan 0.000 0.511 435 Y N -0.376 119.744 120.300 -0.300 0.000 2.224 435 Y HA -0.156 4.393 4.550 -0.001 0.000 0.289 435 Y C 2.762 178.521 175.900 -0.236 0.000 1.146 435 Y CA 1.245 59.178 58.100 -0.278 0.000 1.182 435 Y CB -0.622 37.745 38.460 -0.156 0.000 0.983 435 Y HN 0.120 nan 8.280 nan 0.000 0.524 436 V N 0.203 120.099 119.914 -0.029 0.000 2.295 436 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 436 V C 2.518 178.544 176.094 -0.113 0.000 1.049 436 V CA 2.189 64.443 62.300 -0.077 0.000 1.024 436 V CB -0.586 31.183 31.823 -0.091 0.000 0.648 436 V HN 0.322 nan 8.190 nan 0.000 0.447 437 R N 0.491 120.906 120.500 -0.142 0.000 2.081 437 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 437 R C 2.214 178.446 176.300 -0.113 0.000 1.131 437 R CA 1.865 57.891 56.100 -0.123 0.000 0.960 437 R CB -0.476 29.756 30.300 -0.114 0.000 0.856 437 R HN 0.452 nan 8.270 nan 0.000 0.436 438 A N 0.733 123.426 122.820 -0.212 0.000 1.898 438 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 438 A C 2.391 179.910 177.584 -0.109 0.000 1.181 438 A CA 1.458 53.431 52.037 -0.108 0.000 0.620 438 A CB -0.740 18.113 19.000 -0.245 0.000 0.819 438 A HN 0.567 nan 8.150 nan 0.000 0.442 439 A N 0.024 122.768 122.820 -0.126 0.000 1.877 439 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 439 A C 1.939 179.455 177.584 -0.114 0.000 1.186 439 A CA 1.631 53.604 52.037 -0.107 0.000 0.620 439 A CB -0.575 18.374 19.000 -0.085 0.000 0.822 439 A HN 0.615 nan 8.150 nan 0.000 0.443 440 E N -1.029 119.104 120.200 -0.111 0.000 2.110 440 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 440 E C 2.057 178.576 176.600 -0.135 0.000 0.988 440 E CA 1.340 57.667 56.400 -0.123 0.000 0.804 440 E CB -0.257 29.374 29.700 -0.114 0.000 0.745 440 E HN 0.762 nan 8.360 nan 0.000 0.458 441 M N 0.724 120.265 119.600 -0.097 0.000 2.123 441 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 441 M C 2.159 178.429 176.300 -0.051 0.000 1.069 441 M CA 1.297 56.540 55.300 -0.095 0.000 1.133 441 M CB 0.059 32.698 32.600 0.066 0.000 1.356 441 M HN 0.072 nan 8.290 nan 0.000 0.415 442 L N 0.119 121.360 121.223 0.030 0.000 2.079 442 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 442 L C 2.630 179.616 176.870 0.194 0.000 1.081 442 L CA 1.747 56.656 54.840 0.115 0.000 0.752 442 L CB -0.537 41.438 42.059 -0.139 0.000 0.896 442 L HN 0.524 nan 8.230 nan 0.000 0.433 443 S N -0.984 114.750 115.700 0.057 0.000 2.527 443 S HA 0.059 4.528 4.470 -0.001 0.000 0.222 443 S C 1.991 176.738 174.600 0.245 0.000 0.985 443 S CA 0.399 58.697 58.200 0.162 0.000 0.921 443 S CB 0.009 63.087 63.200 -0.204 0.000 0.772 443 S HN 0.303 nan 8.310 nan 0.000 0.529 444 A N 1.033 123.826 122.820 -0.045 0.000 2.015 444 A HA 0.056 4.375 4.320 -0.001 0.000 0.219 444 A C 1.714 179.176 177.584 -0.204 0.000 1.163 444 A CA 0.891 52.807 52.037 -0.201 0.000 0.646 444 A CB -1.224 17.504 19.000 -0.454 0.000 0.806 444 A HN 0.765 nan 8.150 nan 0.000 0.448 445 W N -0.772 120.517 121.300 -0.019 0.000 2.421 445 W HA -0.022 4.637 4.660 -0.001 0.000 0.270 445 W C 0.996 177.288 176.519 -0.378 0.000 1.233 445 W CA 1.064 58.297 57.345 -0.185 0.000 1.226 445 W CB -0.163 29.134 29.460 -0.271 0.000 1.121 445 W HN 0.402 nan 8.180 nan 0.000 0.579 446 H N -2.533 116.608 119.070 0.118 0.000 2.834 446 H HA 0.369 4.925 4.556 -0.001 0.000 0.369 446 H C -0.484 174.755 175.328 -0.147 0.000 1.174 446 H CA -0.947 55.012 56.048 -0.149 0.000 1.165 446 H CB 1.806 31.238 29.762 -0.549 0.000 1.820 446 H HN -0.453 nan 8.280 nan 0.000 0.558 447 S N 0.809 116.471 115.700 -0.063 0.000 2.525 447 S HA 0.255 4.725 4.470 -0.001 0.000 0.278 447 S C -1.312 173.172 174.600 -0.193 0.000 1.234 447 S CA -0.619 57.567 58.200 -0.024 0.000 1.058 447 S CB 0.247 63.436 63.200 -0.019 0.000 0.983 447 S HN 0.321 nan 8.310 nan 0.000 0.495 448 W N 1.777 123.073 121.300 -0.007 0.000 2.666 448 W HA 0.355 5.014 4.660 -0.001 0.000 0.334 448 W C -0.066 176.409 176.519 -0.073 0.000 1.051 448 W CA -0.962 56.354 57.345 -0.049 0.000 1.224 448 W CB 0.540 29.936 29.460 -0.107 0.000 1.405 448 W HN 0.587 nan 8.180 nan 0.000 0.513 449 D N 0.680 121.141 120.400 0.101 0.000 2.443 449 D HA 0.164 4.804 4.640 -0.001 0.000 0.239 449 D C 1.664 177.969 176.300 0.009 0.000 1.136 449 D CA 1.091 55.127 54.000 0.061 0.000 0.879 449 D CB 1.220 42.085 40.800 0.108 0.000 1.195 449 D HN 0.563 nan 8.370 nan 0.000 0.443 450 G N 2.703 111.518 108.800 0.025 0.000 2.462 450 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 450 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 450 G C 1.365 176.251 174.900 -0.022 0.000 1.121 450 G CA 0.452 45.556 45.100 0.006 0.000 0.758 450 G HN 0.564 nan 8.290 nan 0.000 0.559 451 M N 0.595 120.192 119.600 -0.005 0.000 2.374 451 M HA 0.036 4.515 4.480 -0.001 0.000 0.264 451 M C 2.829 179.063 176.300 -0.110 0.000 1.067 451 M CA 1.007 56.331 55.300 0.040 0.000 1.103 451 M CB -0.016 32.715 32.600 0.218 0.000 1.402 451 M HN 0.323 nan 8.290 nan 0.000 0.444 452 A N 0.070 122.553 122.820 -0.561 0.000 2.168 452 A HA -0.058 4.262 4.320 -0.001 0.000 0.215 452 A C 1.063 178.457 177.584 -0.316 0.000 1.152 452 A CA 0.456 51.934 52.037 -0.931 0.000 0.716 452 A CB -0.423 17.935 19.000 -1.070 0.000 0.794 452 A HN 0.564 nan 8.150 nan 0.000 0.465 453 R N -1.513 118.878 120.500 -0.183 0.000 3.405 453 R HA -0.187 4.152 4.340 -0.001 0.000 0.258 453 R C 0.604 176.808 176.300 -0.159 0.000 1.030 453 R CA 0.642 56.676 56.100 -0.110 0.000 0.691 453 R CB -1.921 28.348 30.300 -0.051 0.000 1.093 453 R HN 0.473 nan 8.270 nan 0.000 0.448 454 I N 0.390 120.819 120.570 -0.235 0.000 2.193 454 I HA -0.177 3.993 4.170 -0.001 0.000 0.240 454 I C 2.173 178.171 176.117 -0.199 0.000 1.084 454 I CA 1.573 62.678 61.300 -0.324 0.000 1.365 454 I CB -0.722 36.944 38.000 -0.556 0.000 1.064 454 I HN 0.208 nan 8.210 nan 0.000 0.410 455 E N 0.810 120.932 120.200 -0.130 0.000 2.097 455 E HA -0.256 4.094 4.350 -0.001 0.000 0.196 455 E C 2.126 178.682 176.600 -0.073 0.000 1.000 455 E CA 1.499 57.849 56.400 -0.084 0.000 0.804 455 E CB -0.273 29.403 29.700 -0.040 0.000 0.740 455 E HN 0.466 nan 8.360 nan 0.000 0.454 456 E N 0.229 120.391 120.200 -0.063 0.000 2.051 456 E HA -0.248 4.102 4.350 -0.001 0.000 0.192 456 E C 1.964 178.527 176.600 -0.062 0.000 0.991 456 E CA 1.037 57.409 56.400 -0.047 0.000 0.799 456 E CB 0.103 29.784 29.700 -0.031 0.000 0.748 456 E HN -0.031 nan 8.360 nan 0.000 0.449 457 R N 0.312 120.764 120.500 -0.080 0.000 2.092 457 R HA 0.014 4.354 4.340 -0.001 0.000 0.231 457 R C 2.383 178.630 176.300 -0.089 0.000 1.119 457 R CA 0.793 56.846 56.100 -0.078 0.000 0.970 457 R CB -0.518 29.730 30.300 -0.088 0.000 0.864 457 R HN 0.269 nan 8.270 nan 0.000 0.440 458 L N -0.091 121.068 121.223 -0.107 0.000 2.056 458 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 458 L C 2.368 179.172 176.870 -0.110 0.000 1.078 458 L CA 1.580 56.354 54.840 -0.110 0.000 0.749 458 L CB -0.447 41.540 42.059 -0.121 0.000 0.901 458 L HN 0.299 nan 8.230 nan 0.000 0.433 459 E N 0.141 120.280 120.200 -0.102 0.000 2.077 459 E HA -0.312 4.038 4.350 -0.001 0.000 0.193 459 E C 2.213 178.731 176.600 -0.138 0.000 0.989 459 E CA 1.428 57.757 56.400 -0.118 0.000 0.800 459 E CB -0.027 29.626 29.700 -0.079 0.000 0.746 459 E HN 0.425 nan 8.360 nan 0.000 0.452 460 Q N -0.014 119.726 119.800 -0.099 0.000 2.084 460 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 460 Q C 2.081 178.020 176.000 -0.101 0.000 0.978 460 Q CA 1.598 57.347 55.803 -0.089 0.000 0.844 460 Q CB -0.226 28.477 28.738 -0.058 0.000 0.898 460 Q HN 0.353 nan 8.270 nan 0.000 0.426 461 A N 1.171 123.933 122.820 -0.096 0.000 1.877 461 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 461 A C 2.106 179.617 177.584 -0.122 0.000 1.186 461 A CA 1.441 53.422 52.037 -0.094 0.000 0.620 461 A CB -0.526 18.426 19.000 -0.079 0.000 0.822 461 A HN 0.382 nan 8.150 nan 0.000 0.443 462 R N -0.688 119.721 120.500 -0.152 0.000 2.091 462 R HA -0.125 4.215 4.340 -0.001 0.000 0.238 462 R C 2.445 178.580 176.300 -0.276 0.000 1.136 462 R CA 1.691 57.675 56.100 -0.193 0.000 0.959 462 R CB -0.312 29.863 30.300 -0.208 0.000 0.856 462 R HN 0.506 nan 8.270 nan 0.000 0.437 463 R N 0.301 120.595 120.500 -0.344 0.000 2.092 463 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 463 R C 2.085 178.295 176.300 -0.149 0.000 1.119 463 R CA 0.964 56.780 56.100 -0.473 0.000 0.970 463 R CB -0.024 30.009 30.300 -0.445 0.000 0.864 463 R HN 0.220 nan 8.270 nan 0.000 0.440 464 E N 0.770 120.924 120.200 -0.076 0.000 2.107 464 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 464 E C 1.977 178.598 176.600 0.034 0.000 0.982 464 E CA 0.708 57.113 56.400 0.008 0.000 0.809 464 E CB -0.160 29.535 29.700 -0.009 0.000 0.756 464 E HN 0.160 nan 8.360 nan 0.000 0.459 465 L N 1.100 122.310 121.223 -0.022 0.000 2.072 465 L HA -0.034 4.306 4.340 -0.001 0.000 0.205 465 L C 2.141 179.043 176.870 0.052 0.000 1.079 465 L CA 1.537 56.383 54.840 0.010 0.000 0.752 465 L CB -0.530 41.498 42.059 -0.052 0.000 0.906 465 L HN -0.117 nan 8.230 nan 0.000 0.436 466 S N -0.335 115.359 115.700 -0.011 0.000 2.368 466 S HA -0.164 4.306 4.470 -0.001 0.000 0.225 466 S C 1.829 176.553 174.600 0.206 0.000 1.030 466 S CA 1.559 59.782 58.200 0.039 0.000 0.999 466 S CB -0.556 62.559 63.200 -0.140 0.000 0.844 466 S HN 0.478 nan 8.310 nan 0.000 0.459 467 L N 0.666 122.052 121.223 0.271 0.000 2.046 467 L HA 0.031 4.370 4.340 -0.001 0.000 0.208 467 L C 1.830 178.783 176.870 0.137 0.000 1.077 467 L CA 1.619 56.625 54.840 0.276 0.000 0.747 467 L CB -0.646 41.547 42.059 0.224 0.000 0.896 467 L HN 0.281 nan 8.230 nan 0.000 0.432 468 F N -0.179 119.722 119.950 -0.081 0.000 2.546 468 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 468 F C 2.149 177.854 175.800 -0.159 0.000 1.120 468 F CA 0.867 58.705 58.000 -0.270 0.000 1.456 468 F CB -0.229 38.650 39.000 -0.201 0.000 1.088 468 F HN 0.256 nan 8.300 nan 0.000 0.572 469 Q N -0.434 119.303 119.800 -0.105 0.000 2.436 469 Q HA -0.136 4.203 4.340 -0.001 0.000 0.209 469 Q C 0.553 176.479 176.000 -0.122 0.000 0.965 469 Q CA 0.468 56.197 55.803 -0.123 0.000 0.910 469 Q CB -1.249 27.493 28.738 0.006 0.000 0.980 469 Q HN 0.510 nan 8.270 nan 0.000 0.491 470 H N 1.821 120.761 119.070 -0.217 0.000 3.016 470 H HA -0.109 4.447 4.556 -0.001 0.000 0.345 470 H C 1.223 176.379 175.328 -0.287 0.000 1.066 470 H CA 0.686 56.606 56.048 -0.213 0.000 1.390 470 H CB 0.556 30.210 29.762 -0.181 0.000 1.344 470 H HN 0.233 nan 8.280 nan 0.000 0.605 471 H N 1.982 120.637 119.070 -0.692 0.000 2.562 471 H HA 0.013 4.568 4.556 -0.001 0.000 0.272 471 H C -0.337 174.563 175.328 -0.713 0.000 1.019 471 H CA 0.614 56.214 56.048 -0.746 0.000 1.160 471 H CB 0.254 29.554 29.762 -0.770 0.000 1.334 471 H HN 0.604 nan 8.280 nan 0.000 0.611 472 D N 0.257 120.008 120.400 -1.082 0.000 2.503 472 D HA 0.124 4.763 4.640 -0.001 0.000 0.218 472 D C 1.612 177.891 176.300 -0.035 0.000 1.183 472 D CA 0.264 54.126 54.000 -0.230 0.000 0.827 472 D CB 0.878 41.751 40.800 0.121 0.000 1.034 472 D HN 0.515 nan 8.370 nan 0.000 0.510 473 G N 1.304 109.856 108.800 -0.413 0.000 2.549 473 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.219 473 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.219 473 G C 1.335 175.611 174.900 -1.041 0.000 1.677 473 G CA -0.208 44.375 45.100 -0.861 0.000 0.929 473 G HN 0.201 nan 8.290 nan 0.000 0.549 474 I N 1.974 121.613 120.570 -1.552 0.000 2.530 474 I HA -0.189 3.980 4.170 -0.001 0.000 0.257 474 I C 2.866 178.897 176.117 -0.143 0.000 1.179 474 I CA 2.061 62.817 61.300 -0.907 0.000 1.440 474 I CB -0.085 37.569 38.000 -0.576 0.000 1.087 474 I HN 0.394 nan 8.210 nan 0.000 0.440 475 T N -1.618 112.891 114.554 -0.075 0.000 3.007 475 T HA 0.004 4.353 4.350 -0.001 0.000 0.270 475 T C 1.566 176.419 174.700 0.255 0.000 1.107 475 T CA 0.667 62.921 62.100 0.257 0.000 1.118 475 T CB -0.590 68.404 68.868 0.210 0.000 0.889 475 T HN 0.639 nan 8.240 nan 0.000 0.506 476 G N 1.468 110.371 108.800 0.172 0.000 2.176 476 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.252 476 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.252 476 G C 0.569 175.544 174.900 0.126 0.000 1.024 476 G CA 0.676 45.900 45.100 0.207 0.000 0.755 476 G HN 1.136 nan 8.290 nan 0.000 0.507 477 T N -3.319 111.300 114.554 0.109 0.000 3.176 477 T HA 0.732 5.081 4.350 -0.001 0.000 0.263 477 T C 0.938 175.822 174.700 0.307 0.000 1.021 477 T CA 1.035 63.123 62.100 -0.019 0.000 0.905 477 T CB 0.946 69.638 68.868 -0.293 0.000 1.057 477 T HN 1.545 nan 8.240 nan 0.000 0.558 478 A N 1.315 124.338 122.820 0.339 0.000 2.256 478 A HA 0.680 5.000 4.320 -0.001 0.000 0.318 478 A C 0.201 177.883 177.584 0.164 0.000 1.103 478 A CA -0.925 51.346 52.037 0.390 0.000 0.860 478 A CB 0.777 20.030 19.000 0.422 0.000 1.182 478 A HN 0.422 nan 8.150 nan 0.000 0.501 479 K N -0.222 120.204 120.400 0.043 0.000 2.276 479 K HA 0.176 4.496 4.320 -0.001 0.000 0.259 479 K C 1.115 177.720 176.600 0.009 0.000 1.001 479 K CA 0.331 56.621 56.287 0.006 0.000 0.927 479 K CB 0.394 32.887 32.500 -0.011 0.000 0.969 479 K HN 0.734 nan 8.250 nan 0.000 0.490 480 T N 1.390 115.976 114.554 0.053 0.000 2.653 480 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 480 T C 1.659 176.387 174.700 0.046 0.000 1.035 480 T CA 1.925 64.060 62.100 0.058 0.000 1.154 480 T CB -0.450 68.462 68.868 0.074 0.000 0.862 480 T HN 0.709 nan 8.240 nan 0.000 0.441 481 H N 0.542 119.601 119.070 -0.019 0.000 2.521 481 H HA 0.105 4.660 4.556 -0.001 0.000 0.286 481 H C 1.972 177.267 175.328 -0.056 0.000 1.034 481 H CA 0.796 56.825 56.048 -0.031 0.000 1.278 481 H CB -0.698 29.043 29.762 -0.036 0.000 1.386 481 H HN 0.283 nan 8.280 nan 0.000 0.567 482 V N 0.938 120.498 119.914 -0.590 0.000 2.535 482 V HA -0.148 3.972 4.120 -0.001 0.000 0.246 482 V C 2.977 178.863 176.094 -0.348 0.000 1.045 482 V CA 0.981 62.946 62.300 -0.558 0.000 1.058 482 V CB -0.314 31.247 31.823 -0.436 0.000 0.689 482 V HN 0.229 nan 8.190 nan 0.000 0.461 483 V N 0.051 119.898 119.914 -0.111 0.000 2.332 483 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 483 V C 2.469 178.528 176.094 -0.059 0.000 1.055 483 V CA 2.036 64.335 62.300 -0.001 0.000 1.038 483 V CB -0.502 31.290 31.823 -0.052 0.000 0.651 483 V HN 0.411 nan 8.190 nan 0.000 0.450 484 V N 0.369 120.256 119.914 -0.045 0.000 2.343 484 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 484 V C 2.323 178.423 176.094 0.010 0.000 1.051 484 V CA 2.433 64.741 62.300 0.014 0.000 1.036 484 V CB -0.703 31.141 31.823 0.034 0.000 0.654 484 V HN 0.650 nan 8.190 nan 0.000 0.451 485 D N -0.850 119.508 120.400 -0.070 0.000 2.104 485 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 485 D C 2.008 178.319 176.300 0.018 0.000 0.994 485 D CA 1.756 55.714 54.000 -0.069 0.000 0.830 485 D CB -0.281 40.404 40.800 -0.191 0.000 0.959 485 D HN 0.602 nan 8.370 nan 0.000 0.452 486 Y N 0.345 120.677 120.300 0.054 0.000 2.224 486 Y HA -0.120 4.430 4.550 -0.001 0.000 0.289 486 Y C 2.577 178.444 175.900 -0.055 0.000 1.146 486 Y CA 1.048 59.180 58.100 0.053 0.000 1.182 486 Y CB -0.095 38.470 38.460 0.175 0.000 0.983 486 Y HN 0.099 nan 8.280 nan 0.000 0.524 487 E N 0.515 120.809 120.200 0.157 0.000 2.047 487 E HA -0.248 4.102 4.350 -0.001 0.000 0.191 487 E C 2.003 178.673 176.600 0.117 0.000 0.987 487 E CA 1.295 57.801 56.400 0.177 0.000 0.799 487 E CB -0.035 29.851 29.700 0.310 0.000 0.752 487 E HN 0.558 nan 8.360 nan 0.000 0.449 488 Q N -0.051 119.808 119.800 0.097 0.000 2.084 488 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 488 Q C 2.330 178.362 176.000 0.053 0.000 0.978 488 Q CA 1.278 57.123 55.803 0.070 0.000 0.844 488 Q CB -0.114 28.657 28.738 0.056 0.000 0.898 488 Q HN 0.205 nan 8.270 nan 0.000 0.426 489 R N 0.151 120.688 120.500 0.061 0.000 2.081 489 R HA -0.046 4.293 4.340 -0.001 0.000 0.235 489 R C 2.301 178.607 176.300 0.010 0.000 1.131 489 R CA 1.383 57.511 56.100 0.047 0.000 0.960 489 R CB -0.156 30.200 30.300 0.094 0.000 0.856 489 R HN 0.285 nan 8.270 nan 0.000 0.436 490 M N -0.006 119.585 119.600 -0.015 0.000 2.175 490 M HA -0.172 4.307 4.480 -0.001 0.000 0.264 490 M C 2.301 178.561 176.300 -0.067 0.000 1.063 490 M CA 1.382 56.629 55.300 -0.088 0.000 1.119 490 M CB -0.132 32.347 32.600 -0.202 0.000 1.377 490 M HN 0.046 nan 8.290 nan 0.000 0.415 491 Q N 1.125 120.923 119.800 -0.003 0.000 2.084 491 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 491 Q C 1.511 177.512 176.000 0.002 0.000 0.978 491 Q CA 1.855 57.671 55.803 0.022 0.000 0.844 491 Q CB -0.090 28.689 28.738 0.068 0.000 0.898 491 Q HN 0.513 nan 8.270 nan 0.000 0.426 492 E N -0.566 119.636 120.200 0.003 0.000 2.110 492 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 492 E C 1.842 178.431 176.600 -0.018 0.000 0.988 492 E CA 1.001 57.400 56.400 -0.001 0.000 0.804 492 E CB -0.229 29.473 29.700 0.003 0.000 0.745 492 E HN 0.475 nan 8.360 nan 0.000 0.458 493 A N 1.063 123.861 122.820 -0.037 0.000 1.898 493 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 493 A C 2.179 179.730 177.584 -0.056 0.000 1.181 493 A CA 0.899 52.903 52.037 -0.055 0.000 0.620 493 A CB -0.559 18.394 19.000 -0.078 0.000 0.819 493 A HN 0.122 nan 8.150 nan 0.000 0.442 494 L N -0.594 120.576 121.223 -0.088 0.000 2.012 494 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 494 L C 2.623 179.505 176.870 0.020 0.000 1.073 494 L CA 1.823 56.597 54.840 -0.111 0.000 0.748 494 L CB -0.457 41.480 42.059 -0.204 0.000 0.891 494 L HN 0.365 nan 8.230 nan 0.000 0.431 495 K N -0.155 120.254 120.400 0.016 0.000 2.063 495 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 495 K C 2.200 178.819 176.600 0.031 0.000 1.048 495 K CA 1.401 57.710 56.287 0.035 0.000 0.928 495 K CB -0.253 32.259 32.500 0.020 0.000 0.713 495 K HN 0.309 nan 8.250 nan 0.000 0.442 496 A N 1.050 123.875 122.820 0.009 0.000 1.902 496 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 496 A C 2.448 180.032 177.584 -0.000 0.000 1.181 496 A CA 1.494 53.526 52.037 -0.008 0.000 0.623 496 A CB -0.978 18.005 19.000 -0.030 0.000 0.818 496 A HN 0.408 nan 8.150 nan 0.000 0.443 497 C N -1.044 118.273 119.300 0.029 0.000 2.413 497 C HA -0.145 4.314 4.460 -0.001 0.000 0.276 497 C C 2.876 177.913 174.990 0.078 0.000 1.236 497 C CA 1.341 60.390 59.018 0.053 0.000 1.735 497 C CB -1.302 26.528 27.740 0.150 0.000 2.031 497 C HN 0.791 nan 8.230 nan 0.000 0.474 498 Q N 0.141 120.024 119.800 0.138 0.000 2.061 498 Q HA -0.294 4.045 4.340 -0.001 0.000 0.204 498 Q C 2.163 178.233 176.000 0.118 0.000 0.984 498 Q CA 2.211 58.099 55.803 0.142 0.000 0.846 498 Q CB -0.280 28.550 28.738 0.153 0.000 0.902 498 Q HN 0.602 nan 8.270 nan 0.000 0.421 499 M N -0.189 119.452 119.600 0.068 0.000 2.065 499 M HA -0.145 4.334 4.480 -0.001 0.000 0.259 499 M C 1.875 178.188 176.300 0.022 0.000 1.069 499 M CA 1.614 56.944 55.300 0.049 0.000 1.110 499 M CB -0.543 32.066 32.600 0.015 0.000 1.328 499 M HN 0.139 nan 8.290 nan 0.000 0.405 500 V N 0.291 120.179 119.914 -0.044 0.000 2.295 500 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 500 V C 2.467 178.501 176.094 -0.101 0.000 1.049 500 V CA 2.324 64.533 62.300 -0.151 0.000 1.024 500 V CB -0.705 31.006 31.823 -0.187 0.000 0.648 500 V HN 0.573 nan 8.190 nan 0.000 0.447 501 M N 0.129 119.724 119.600 -0.009 0.000 2.080 501 M HA -0.277 4.202 4.480 -0.001 0.000 0.260 501 M C 2.397 178.707 176.300 0.017 0.000 1.068 501 M CA 2.500 57.822 55.300 0.036 0.000 1.109 501 M CB -0.485 32.237 32.600 0.205 0.000 1.342 501 M HN 0.567 nan 8.290 nan 0.000 0.405 502 Q N -0.193 119.711 119.800 0.174 0.000 2.119 502 Q HA -0.153 4.187 4.340 -0.001 0.000 0.201 502 Q C 1.814 177.969 176.000 0.259 0.000 0.972 502 Q CA 1.241 57.166 55.803 0.204 0.000 0.847 502 Q CB -0.640 28.335 28.738 0.396 0.000 0.903 502 Q HN 0.425 nan 8.270 nan 0.000 0.433 503 Q N 0.498 120.449 119.800 0.252 0.000 2.124 503 Q HA -0.052 4.287 4.340 -0.001 0.000 0.202 503 Q C 2.272 178.504 176.000 0.388 0.000 0.977 503 Q CA 1.639 57.676 55.803 0.391 0.000 0.850 503 Q CB -0.168 28.717 28.738 0.245 0.000 0.901 503 Q HN 0.507 nan 8.270 nan 0.000 0.429 504 S N 0.330 116.124 115.700 0.156 0.000 2.368 504 S HA -0.083 4.387 4.470 -0.001 0.000 0.224 504 S C 2.203 176.822 174.600 0.032 0.000 1.029 504 S CA 0.955 59.294 58.200 0.231 0.000 0.988 504 S CB -0.159 63.093 63.200 0.087 0.000 0.838 504 S HN 0.127 nan 8.310 nan 0.000 0.462 505 V N 0.825 120.620 119.914 -0.199 0.000 2.295 505 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 505 V C 2.012 178.039 176.094 -0.112 0.000 1.049 505 V CA 1.818 63.873 62.300 -0.408 0.000 1.024 505 V CB -0.765 30.407 31.823 -1.086 0.000 0.648 505 V HN 0.545 nan 8.190 nan 0.000 0.447 506 Y N 1.317 121.621 120.300 0.005 0.000 2.165 506 Y HA -0.259 4.290 4.550 -0.001 0.000 0.286 506 Y C 2.729 178.690 175.900 0.101 0.000 1.155 506 Y CA 2.212 60.431 58.100 0.198 0.000 1.164 506 Y CB -0.371 38.156 38.460 0.112 0.000 0.978 506 Y HN 0.101 nan 8.280 nan 0.000 0.513 507 R N -0.223 120.164 120.500 -0.189 0.000 2.090 507 R HA -0.084 4.256 4.340 -0.001 0.000 0.228 507 R C 2.132 178.111 176.300 -0.535 0.000 1.110 507 R CA 1.439 57.074 56.100 -0.774 0.000 0.973 507 R CB -0.320 29.553 30.300 -0.711 0.000 0.869 507 R HN 0.445 nan 8.270 nan 0.000 0.440 508 L N 0.241 121.290 121.223 -0.289 0.000 2.291 508 L HA -0.043 4.296 4.340 -0.001 0.000 0.214 508 L C 1.415 178.159 176.870 -0.209 0.000 1.120 508 L CA 0.729 55.356 54.840 -0.354 0.000 0.799 508 L CB 0.143 41.835 42.059 -0.611 0.000 0.925 508 L HN 0.221 nan 8.230 nan 0.000 0.446 509 L N -1.168 120.035 121.223 -0.033 0.000 3.014 509 L HA 0.217 4.557 4.340 -0.001 0.000 0.263 509 L C -0.211 176.739 176.870 0.133 0.000 1.207 509 L CA -0.088 54.828 54.840 0.127 0.000 1.017 509 L CB 0.474 42.772 42.059 0.399 0.000 1.360 509 L HN 0.001 nan 8.230 nan 0.000 0.560 510 T N 0.089 114.631 114.554 -0.019 0.000 2.807 510 T HA 0.181 4.530 4.350 -0.001 0.000 0.279 510 T C -0.117 174.513 174.700 -0.117 0.000 0.993 510 T CA -0.568 61.511 62.100 -0.036 0.000 0.970 510 T CB 2.330 71.119 68.868 -0.132 0.000 0.950 510 T HN 0.017 nan 8.240 nan 0.000 0.441 511 K N 3.940 124.287 120.400 -0.088 0.000 2.504 511 K HA -0.037 4.282 4.320 -0.001 0.000 0.278 511 K C -1.716 174.852 176.600 -0.053 0.000 1.025 511 K CA -0.987 55.256 56.287 -0.073 0.000 1.093 511 K CB 0.419 32.883 32.500 -0.060 0.000 0.873 511 K HN 0.188 nan 8.250 nan 0.000 0.483 512 P HA -0.221 nan 4.420 nan 0.000 0.216 512 P C 0.804 178.113 177.300 0.016 0.000 1.153 512 P CA 1.592 64.664 63.100 -0.047 0.000 0.858 512 P CB 0.147 31.811 31.700 -0.061 0.000 0.789 513 S N -2.213 113.488 115.700 0.002 0.000 2.607 513 S HA 0.044 4.513 4.470 -0.001 0.000 0.224 513 S C 1.664 176.275 174.600 0.017 0.000 0.969 513 S CA 0.538 58.743 58.200 0.008 0.000 0.927 513 S CB -1.092 62.106 63.200 -0.004 0.000 0.772 513 S HN 0.112 nan 8.310 nan 0.000 0.533 514 I N -0.811 119.778 120.570 0.031 0.000 3.790 514 I HA 0.204 4.374 4.170 -0.001 0.000 0.305 514 I C 0.515 176.679 176.117 0.079 0.000 1.253 514 I CA -0.408 60.918 61.300 0.044 0.000 1.355 514 I CB -0.062 37.962 38.000 0.040 0.000 1.137 514 I HN 0.254 nan 8.210 nan 0.000 0.435 515 Y N 3.005 123.253 120.300 -0.087 0.000 2.852 515 Y HA -0.069 4.481 4.550 -0.001 0.000 0.343 515 Y C 0.433 176.305 175.900 -0.046 0.000 1.280 515 Y CA 0.065 58.071 58.100 -0.158 0.000 1.604 515 Y CB 0.301 38.601 38.460 -0.266 0.000 1.216 515 Y HN -0.120 nan 8.280 nan 0.000 0.541 516 S N 9.078 124.588 115.700 -0.316 0.000 2.279 516 S HA 0.366 4.835 4.470 -0.001 0.000 0.176 516 S C -2.830 171.577 174.600 -0.323 0.000 1.554 516 S CA -1.255 56.759 58.200 -0.310 0.000 1.242 516 S CB 0.011 63.154 63.200 -0.095 0.000 1.163 516 S HN 0.654 nan 8.310 nan 0.000 0.449 517 P HA 0.325 nan 4.420 nan 0.000 0.279 517 P C -1.192 175.866 177.300 -0.403 0.000 1.239 517 P CA -0.232 62.641 63.100 -0.377 0.000 0.789 517 P CB 0.956 32.391 31.700 -0.442 0.000 0.933 518 D N 2.601 122.968 120.400 -0.056 0.000 2.460 518 D HA 0.145 4.785 4.640 -0.001 0.000 0.232 518 D C 0.442 176.790 176.300 0.079 0.000 1.079 518 D CA -0.737 53.204 54.000 -0.098 0.000 0.864 518 D CB 0.088 40.872 40.800 -0.027 0.000 1.048 518 D HN 0.032 nan 8.370 nan 0.000 0.523 519 F N 1.679 121.761 119.950 0.219 0.000 2.529 519 F HA -0.100 4.426 4.527 -0.001 0.000 0.297 519 F C 2.386 178.277 175.800 0.150 0.000 1.114 519 F CA 0.798 58.927 58.000 0.215 0.000 1.467 519 F CB -0.558 38.546 39.000 0.175 0.000 1.096 519 F HN 0.371 nan 8.300 nan 0.000 0.586 520 S N -2.159 113.695 115.700 0.257 0.000 2.523 520 S HA 0.134 4.604 4.470 -0.001 0.000 0.217 520 S C 0.347 174.987 174.600 0.066 0.000 0.996 520 S CA -0.459 57.828 58.200 0.144 0.000 0.921 520 S CB -0.637 62.627 63.200 0.107 0.000 0.829 520 S HN 0.072 nan 8.310 nan 0.000 0.495 521 F N 3.045 122.942 119.950 -0.089 0.000 2.389 521 F HA 0.556 5.082 4.527 -0.001 0.000 0.337 521 F C 0.190 175.766 175.800 -0.374 0.000 1.112 521 F CA -0.486 57.325 58.000 -0.315 0.000 1.192 521 F CB 1.312 39.969 39.000 -0.571 0.000 1.185 521 F HN -0.033 nan 8.300 nan 0.000 0.552 522 S N 5.871 120.755 115.700 -1.360 0.000 2.464 522 S HA 0.164 4.634 4.470 -0.001 0.000 0.313 522 S C 0.393 174.417 174.600 -0.960 0.000 1.078 522 S CA -0.329 57.375 58.200 -0.826 0.000 1.096 522 S CB -0.180 62.671 63.200 -0.582 0.000 1.032 522 S HN 0.661 nan 8.310 nan 0.000 0.498 523 Y N 1.774 121.873 120.300 -0.334 0.000 2.314 523 Y HA 0.167 4.717 4.550 -0.001 0.000 0.293 523 Y C 0.321 175.678 175.900 -0.904 0.000 1.129 523 Y CA 0.720 58.496 58.100 -0.540 0.000 1.201 523 Y CB 0.201 38.397 38.460 -0.440 0.000 0.999 523 Y HN 0.490 nan 8.280 nan 0.000 0.541 524 F N -1.751 118.152 119.950 -0.078 0.000 2.599 524 F HA 0.448 4.975 4.527 -0.001 0.000 0.311 524 F C -0.186 175.647 175.800 0.054 0.000 1.076 524 F CA -1.349 56.668 58.000 0.028 0.000 0.937 524 F CB 1.672 40.820 39.000 0.247 0.000 1.282 524 F HN -0.511 nan 8.300 nan 0.000 0.460 525 T N 3.140 117.853 114.554 0.265 0.000 2.794 525 T HA 0.525 4.875 4.350 -0.001 0.000 0.280 525 T C -0.245 174.577 174.700 0.203 0.000 0.987 525 T CA -0.560 61.637 62.100 0.162 0.000 0.993 525 T CB 1.046 69.963 68.868 0.083 0.000 0.939 525 T HN 0.336 nan 8.240 nan 0.000 0.449 526 L N 2.620 123.900 121.223 0.095 0.000 2.417 526 L HA 0.382 4.721 4.340 -0.001 0.000 0.268 526 L C 0.129 176.984 176.870 -0.026 0.000 1.158 526 L CA -0.204 54.581 54.840 -0.092 0.000 0.819 526 L CB 0.756 42.731 42.059 -0.140 0.000 1.112 526 L HN 0.669 nan 8.230 nan 0.000 0.458 527 D N 1.472 121.826 120.400 -0.077 0.000 2.492 527 D HA 0.215 4.855 4.640 -0.001 0.000 0.248 527 D C -1.319 174.895 176.300 -0.143 0.000 1.101 527 D CA -0.409 53.549 54.000 -0.070 0.000 0.840 527 D CB 1.187 41.971 40.800 -0.027 0.000 1.209 527 D HN 0.264 nan 8.370 nan 0.000 0.524 528 D N 2.420 122.765 120.400 -0.092 0.000 2.481 528 D HA 0.198 4.837 4.640 -0.001 0.000 0.246 528 D C 0.115 176.356 176.300 -0.098 0.000 1.109 528 D CA -0.455 53.517 54.000 -0.047 0.000 0.845 528 D CB 1.909 42.793 40.800 0.140 0.000 1.160 528 D HN 0.269 nan 8.370 nan 0.000 0.534 529 S N 2.728 118.342 115.700 -0.143 0.000 2.489 529 S HA 0.012 4.481 4.470 -0.001 0.000 0.228 529 S C 1.392 175.950 174.600 -0.069 0.000 0.995 529 S CA 0.557 58.667 58.200 -0.150 0.000 0.934 529 S CB 0.371 63.472 63.200 -0.166 0.000 0.771 529 S HN 0.496 nan 8.310 nan 0.000 0.522 530 R N -0.548 119.947 120.500 -0.009 0.000 2.508 530 R HA 0.225 4.564 4.340 -0.001 0.000 0.300 530 R C -0.603 175.770 176.300 0.122 0.000 0.970 530 R CA -0.110 56.010 56.100 0.033 0.000 1.102 530 R CB 0.717 31.036 30.300 0.031 0.000 1.246 530 R HN 0.343 nan 8.270 nan 0.000 0.539 531 W N 1.300 122.552 121.300 -0.080 0.000 3.211 531 W HA 0.288 4.948 4.660 -0.001 0.000 0.335 531 W C -2.919 173.552 176.519 -0.079 0.000 1.113 531 W CA -2.066 55.217 57.345 -0.103 0.000 1.235 531 W CB 1.806 31.187 29.460 -0.132 0.000 1.365 531 W HN -0.179 nan 8.180 nan 0.000 0.476 532 P HA 0.085 nan 4.420 nan 0.000 0.226 532 P C 0.379 177.286 177.300 -0.655 0.000 1.153 532 P CA 1.697 63.924 63.100 -1.455 0.000 0.777 532 P CB 0.274 31.393 31.700 -0.968 0.000 0.794 533 G N -0.696 107.903 108.800 -0.335 0.000 2.697 533 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G C -0.325 174.510 174.900 -0.109 0.000 1.179 533 G CA -0.452 44.551 45.100 -0.162 0.000 0.765 533 G HN 0.155 nan 8.290 nan 0.000 0.649 534 S N 0.493 116.173 115.700 -0.032 0.000 2.544 534 S HA 0.514 4.984 4.470 -0.001 0.000 0.290 534 S C 1.903 176.503 174.600 0.001 0.000 1.276 534 S CA 2.022 60.238 58.200 0.026 0.000 1.075 534 S CB 0.264 63.521 63.200 0.095 0.000 0.849 534 S HN 2.750 nan 8.310 nan 0.000 0.494 535 G N 2.787 111.586 108.800 -0.002 0.000 2.199 535 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.254 535 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.254 535 G C 0.608 175.480 174.900 -0.047 0.000 0.982 535 G CA 0.311 45.399 45.100 -0.021 0.000 0.632 535 G HN 0.954 nan 8.290 nan 0.000 0.529 536 V N -0.555 119.313 119.914 -0.077 0.000 2.690 536 V HA 0.374 4.493 4.120 -0.001 0.000 0.240 536 V C 0.767 176.797 176.094 -0.108 0.000 1.078 536 V CA 1.624 63.861 62.300 -0.104 0.000 1.102 536 V CB 0.460 32.183 31.823 -0.168 0.000 0.800 536 V HN 0.352 nan 8.190 nan 0.000 0.479 537 E N -0.099 120.029 120.200 -0.118 0.000 2.335 537 E HA 0.282 4.631 4.350 -0.001 0.000 0.280 537 E C -1.571 174.995 176.600 -0.056 0.000 0.918 537 E CA -0.399 55.944 56.400 -0.095 0.000 0.765 537 E CB 1.960 31.576 29.700 -0.138 0.000 1.218 537 E HN 0.132 nan 8.360 nan 0.000 0.425 538 D N 1.692 122.081 120.400 -0.019 0.000 2.453 538 D HA 0.101 4.741 4.640 -0.001 0.000 0.223 538 D C 0.499 176.804 176.300 0.009 0.000 1.183 538 D CA 0.246 54.257 54.000 0.018 0.000 0.933 538 D CB 0.537 41.354 40.800 0.028 0.000 1.038 538 D HN 0.374 nan 8.370 nan 0.000 0.513 539 S N 2.259 117.957 115.700 -0.004 0.000 2.604 539 S HA 0.149 4.618 4.470 -0.001 0.000 0.235 539 S C 0.833 175.432 174.600 -0.002 0.000 1.043 539 S CA -0.487 57.705 58.200 -0.013 0.000 0.997 539 S CB 0.745 63.917 63.200 -0.048 0.000 0.956 539 S HN 0.226 nan 8.310 nan 0.000 0.535 540 R N 2.960 123.458 120.500 -0.005 0.000 2.438 540 R HA 0.387 4.726 4.340 -0.001 0.000 0.287 540 R C 0.190 176.523 176.300 0.054 0.000 1.077 540 R CA 0.285 56.361 56.100 -0.040 0.000 1.034 540 R CB 0.707 30.855 30.300 -0.253 0.000 0.993 540 R HN 0.493 nan 8.270 nan 0.000 0.459 541 T N -0.652 113.936 114.554 0.057 0.000 2.910 541 T HA 0.169 4.519 4.350 -0.001 0.000 0.293 541 T C 0.290 175.091 174.700 0.169 0.000 1.015 541 T CA -0.641 61.520 62.100 0.101 0.000 1.094 541 T CB 1.401 70.317 68.868 0.081 0.000 0.968 541 T HN 0.337 nan 8.240 nan 0.000 0.521 542 T N 3.543 118.207 114.554 0.184 0.000 2.806 542 T HA 0.390 4.740 4.350 -0.001 0.000 0.290 542 T C 0.446 175.254 174.700 0.180 0.000 0.966 542 T CA -0.527 61.708 62.100 0.226 0.000 1.060 542 T CB 0.178 69.144 68.868 0.163 0.000 0.927 542 T HN 0.572 nan 8.240 nan 0.000 0.485 543 I N 4.432 125.128 120.570 0.210 0.000 2.421 543 I HA 0.177 4.347 4.170 -0.001 0.000 0.291 543 I C 0.253 176.461 176.117 0.151 0.000 1.089 543 I CA -0.014 61.389 61.300 0.171 0.000 1.354 543 I CB 0.173 38.278 38.000 0.175 0.000 1.413 543 I HN 0.455 nan 8.210 nan 0.000 0.513 544 I N 8.125 128.769 120.570 0.123 0.000 2.301 544 I HA 0.279 4.449 4.170 -0.001 0.000 0.292 544 I C -0.091 176.091 176.117 0.108 0.000 1.046 544 I CA -0.153 61.212 61.300 0.109 0.000 1.282 544 I CB 0.371 38.422 38.000 0.085 0.000 1.409 544 I HN 0.394 nan 8.210 nan 0.000 0.484 545 L N 5.830 127.123 121.223 0.115 0.000 2.333 545 L HA 0.949 5.288 4.340 -0.001 0.000 0.269 545 L C 0.179 177.111 176.870 0.103 0.000 1.010 545 L CA -0.689 54.218 54.840 0.111 0.000 0.818 545 L CB 2.154 44.286 42.059 0.122 0.000 1.306 545 L HN 0.680 nan 8.230 nan 0.000 0.430 546 G N -0.082 108.774 108.800 0.093 0.000 2.473 546 G HA2 0.112 4.072 3.960 -0.001 0.000 0.298 546 G HA3 0.112 4.072 3.960 -0.001 0.000 0.298 546 G C -0.212 174.732 174.900 0.073 0.000 1.575 546 G CA -0.455 44.696 45.100 0.085 0.000 0.846 546 G HN 0.681 nan 8.290 nan 0.000 0.585 547 E N 0.041 120.281 120.200 0.066 0.000 2.160 547 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 547 E C 0.813 177.441 176.600 0.047 0.000 0.991 547 E CA 1.367 57.799 56.400 0.053 0.000 0.810 547 E CB 0.163 29.889 29.700 0.044 0.000 0.742 547 E HN 0.477 nan 8.360 nan 0.000 0.466 548 D N -0.273 120.156 120.400 0.047 0.000 2.328 548 D HA 0.065 4.704 4.640 -0.001 0.000 0.221 548 D C 1.375 177.701 176.300 0.044 0.000 1.072 548 D CA 0.255 54.279 54.000 0.041 0.000 0.850 548 D CB 0.772 41.594 40.800 0.037 0.000 0.922 548 D HN 0.333 nan 8.370 nan 0.000 0.516 549 I N -0.818 119.783 120.570 0.052 0.000 4.547 549 I HA 0.103 4.272 4.170 -0.001 0.000 0.303 549 I C -1.316 174.840 176.117 0.063 0.000 1.188 549 I CA 0.055 61.388 61.300 0.054 0.000 1.320 549 I CB 1.287 39.320 38.000 0.055 0.000 1.495 549 I HN -0.185 nan 8.210 nan 0.000 0.462 550 L N 2.145 123.412 121.223 0.073 0.000 2.795 550 L HA 0.461 4.800 4.340 -0.001 0.000 0.260 550 L C -2.568 174.357 176.870 0.091 0.000 0.935 550 L CA -0.821 54.071 54.840 0.086 0.000 0.985 550 L CB 1.637 43.754 42.059 0.097 0.000 1.433 550 L HN -0.188 nan 8.230 nan 0.000 0.447 551 P HA 0.083 nan 4.420 nan 0.000 0.227 551 P C -0.164 177.195 177.300 0.098 0.000 1.161 551 P CA 0.806 63.957 63.100 0.086 0.000 0.788 551 P CB 0.466 32.209 31.700 0.071 0.000 0.822 552 S N -1.960 113.811 115.700 0.118 0.000 2.615 552 S HA 0.717 5.186 4.470 -0.001 0.000 0.269 552 S C -1.337 173.375 174.600 0.186 0.000 1.161 552 S CA -0.725 57.554 58.200 0.131 0.000 0.817 552 S CB 2.409 65.679 63.200 0.117 0.000 1.131 552 S HN -0.094 nan 8.310 nan 0.000 0.467 553 K N 0.472 120.991 120.400 0.199 0.000 2.535 553 K HA 0.579 4.899 4.320 -0.001 0.000 0.251 553 K C -2.081 174.707 176.600 0.315 0.000 0.942 553 K CA -0.216 56.237 56.287 0.277 0.000 0.798 553 K CB 0.990 33.607 32.500 0.195 0.000 1.267 553 K HN 0.837 nan 8.250 nan 0.000 0.434 554 H N 0.870 120.101 119.070 0.268 0.000 2.525 554 H HA 0.505 5.061 4.556 -0.001 0.000 0.339 554 H C -0.327 175.248 175.328 0.412 0.000 1.109 554 H CA -0.137 56.114 56.048 0.339 0.000 1.352 554 H CB 1.178 31.234 29.762 0.490 0.000 1.461 554 H HN 0.407 nan 8.280 nan 0.000 0.533 555 V N 0.951 121.138 119.914 0.456 0.000 2.914 555 V HA 0.771 4.891 4.120 -0.001 0.000 0.314 555 V C -0.732 175.714 176.094 0.588 0.000 1.084 555 V CA -0.866 61.699 62.300 0.441 0.000 0.963 555 V CB 2.037 33.869 31.823 0.016 0.000 1.025 555 V HN 0.462 nan 8.190 nan 0.000 0.432 556 V N 3.913 124.201 119.914 0.623 0.000 2.709 556 V HA 0.640 4.760 4.120 -0.001 0.000 0.308 556 V C -0.475 175.985 176.094 0.609 0.000 1.062 556 V CA -0.387 62.241 62.300 0.546 0.000 0.901 556 V CB 1.923 33.922 31.823 0.293 0.000 1.003 556 V HN 0.944 nan 8.190 nan 0.000 0.425 557 M N 4.176 124.098 119.600 0.537 0.000 2.404 557 M HA 0.495 4.975 4.480 -0.001 0.000 0.338 557 M C -0.518 176.043 176.300 0.434 0.000 1.150 557 M CA -0.261 55.318 55.300 0.465 0.000 1.016 557 M CB 1.204 34.025 32.600 0.367 0.000 1.672 557 M HN 0.767 nan 8.290 nan 0.000 0.448 558 H N 1.982 121.253 119.070 0.335 0.000 2.524 558 H HA 0.508 5.064 4.556 -0.001 0.000 0.353 558 H C -1.418 174.020 175.328 0.183 0.000 1.136 558 H CA -0.606 55.603 56.048 0.268 0.000 1.193 558 H CB 1.274 31.252 29.762 0.361 0.000 1.558 558 H HN 0.666 nan 8.280 nan 0.000 0.515 559 N N 3.145 121.585 118.700 -0.433 0.000 2.569 559 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 559 N C 0.287 175.463 175.510 -0.557 0.000 1.004 559 N CA -0.322 52.502 53.050 -0.376 0.000 0.904 559 N CB 1.554 39.932 38.487 -0.182 0.000 1.165 559 N HN 0.639 nan 8.380 nan 0.000 0.513 560 T N 2.842 117.095 114.554 -0.501 0.000 3.035 560 T HA 0.134 4.484 4.350 -0.001 0.000 0.268 560 T C 0.693 175.361 174.700 -0.053 0.000 1.109 560 T CA 0.504 62.494 62.100 -0.183 0.000 1.119 560 T CB -0.261 68.657 68.868 0.082 0.000 0.900 560 T HN 0.425 nan 8.240 nan 0.000 0.503 561 L N 2.908 124.046 121.223 -0.141 0.000 2.397 561 L HA 0.283 4.622 4.340 -0.001 0.000 0.271 561 L C -1.576 175.170 176.870 -0.207 0.000 1.148 561 L CA -1.777 52.947 54.840 -0.193 0.000 0.825 561 L CB 0.645 42.439 42.059 -0.441 0.000 1.117 561 L HN -0.016 nan 8.230 nan 0.000 0.456 562 P HA 0.041 nan 4.420 nan 0.000 0.235 562 P C -0.913 176.430 177.300 0.071 0.000 1.725 562 P CA 0.351 63.460 63.100 0.015 0.000 0.894 562 P CB -0.350 31.412 31.700 0.104 0.000 1.704 563 H N -3.310 115.784 119.070 0.041 0.000 3.012 563 H HA 0.226 4.782 4.556 -0.001 0.000 0.367 563 H C -1.049 174.311 175.328 0.052 0.000 1.211 563 H CA -1.073 55.020 56.048 0.075 0.000 1.139 563 H CB -0.053 29.789 29.762 0.134 0.000 1.838 563 H HN -0.122 nan 8.280 nan 0.000 0.550 564 W N 1.863 123.282 121.300 0.199 0.000 2.314 564 W HA 0.181 4.840 4.660 -0.001 0.000 0.339 564 W C 0.912 177.539 176.519 0.180 0.000 1.293 564 W CA 0.547 57.969 57.345 0.127 0.000 1.288 564 W CB 0.450 29.970 29.460 0.100 0.000 1.186 564 W HN 0.551 nan 8.180 nan 0.000 0.566 565 R N 2.506 123.212 120.500 0.343 0.000 2.604 565 R HA 0.305 4.645 4.340 -0.001 0.000 0.281 565 R C -1.141 175.293 176.300 0.224 0.000 1.020 565 R CA -0.657 55.599 56.100 0.260 0.000 0.899 565 R CB 1.411 31.782 30.300 0.118 0.000 1.205 565 R HN 0.496 nan 8.270 nan 0.000 0.450 566 E N 2.482 122.794 120.200 0.186 0.000 2.195 566 E HA 0.270 4.619 4.350 -0.001 0.000 0.271 566 E C -1.284 175.367 176.600 0.085 0.000 0.923 566 E CA -0.822 55.664 56.400 0.144 0.000 0.790 566 E CB 2.414 32.192 29.700 0.130 0.000 1.155 566 E HN 0.419 nan 8.360 nan 0.000 0.402 567 Q N 2.871 122.697 119.800 0.043 0.000 2.386 567 Q HA 0.262 4.602 4.340 -0.001 0.000 0.274 567 Q C -1.586 174.372 176.000 -0.069 0.000 1.011 567 Q CA -0.593 55.205 55.803 -0.008 0.000 0.867 567 Q CB 1.465 30.189 28.738 -0.024 0.000 1.409 567 Q HN 0.548 nan 8.270 nan 0.000 0.395 568 L N 2.965 124.141 121.223 -0.078 0.000 2.426 568 L HA 0.457 4.797 4.340 -0.001 0.000 0.271 568 L C 0.187 176.919 176.870 -0.230 0.000 1.169 568 L CA -0.485 54.269 54.840 -0.143 0.000 0.836 568 L CB 0.811 42.824 42.059 -0.078 0.000 1.112 568 L HN 0.489 nan 8.230 nan 0.000 0.465 569 V N -0.885 118.785 119.914 -0.405 0.000 2.962 569 V HA 0.764 4.884 4.120 -0.001 0.000 0.313 569 V C -1.126 174.688 176.094 -0.466 0.000 1.099 569 V CA -0.884 61.131 62.300 -0.474 0.000 0.971 569 V CB 2.097 33.584 31.823 -0.560 0.000 1.028 569 V HN 0.816 nan 8.190 nan 0.000 0.430 570 D N 1.259 121.387 120.400 -0.453 0.000 2.490 570 D HA 0.788 5.428 4.640 -0.001 0.000 0.232 570 D C -1.150 174.862 176.300 -0.480 0.000 1.053 570 D CA -0.569 53.283 54.000 -0.245 0.000 0.914 570 D CB 2.088 42.840 40.800 -0.080 0.000 1.431 570 D HN 0.461 nan 8.370 nan 0.000 0.483 571 F N -0.683 119.317 119.950 0.083 0.000 2.613 571 F HA 0.381 4.908 4.527 -0.001 0.000 0.310 571 F C -0.879 175.065 175.800 0.241 0.000 1.085 571 F CA -1.074 56.983 58.000 0.095 0.000 0.945 571 F CB 1.583 40.688 39.000 0.174 0.000 1.298 571 F HN 0.165 nan 8.300 nan 0.000 0.455 572 Y N 2.041 122.501 120.300 0.268 0.000 2.304 572 Y HA 0.596 5.146 4.550 -0.001 0.000 0.328 572 Y C 0.200 176.226 175.900 0.210 0.000 1.123 572 Y CA -1.497 56.711 58.100 0.179 0.000 1.218 572 Y CB 0.971 39.487 38.460 0.093 0.000 1.207 572 Y HN 0.350 nan 8.280 nan 0.000 0.495 573 V N -0.691 119.435 119.914 0.353 0.000 3.007 573 V HA 0.554 4.674 4.120 -0.001 0.000 0.311 573 V C 0.312 176.559 176.094 0.254 0.000 1.120 573 V CA -0.777 61.690 62.300 0.278 0.000 0.980 573 V CB 1.686 33.669 31.823 0.267 0.000 1.033 573 V HN 0.682 nan 8.190 nan 0.000 0.429 574 S N 0.197 116.023 115.700 0.211 0.000 2.631 574 S HA 0.285 4.755 4.470 -0.001 0.000 0.217 574 S C 0.616 175.375 174.600 0.264 0.000 0.958 574 S CA 0.466 58.782 58.200 0.193 0.000 0.920 574 S CB -0.333 62.947 63.200 0.133 0.000 0.776 574 S HN 1.591 nan 8.310 nan 0.000 0.517 575 S N 1.185 117.043 115.700 0.265 0.000 2.537 575 S HA 0.541 5.011 4.470 -0.001 0.000 0.270 575 S C -2.686 171.840 174.600 -0.125 0.000 1.142 575 S CA -1.211 57.033 58.200 0.073 0.000 0.870 575 S CB 1.968 65.220 63.200 0.086 0.000 1.112 575 S HN 0.020 nan 8.310 nan 0.000 0.466 576 P HA 0.186 nan 4.420 nan 0.000 0.245 576 P C -0.112 177.025 177.300 -0.272 0.000 1.206 576 P CA 0.272 62.997 63.100 -0.626 0.000 0.781 576 P CB -0.180 30.831 31.700 -1.148 0.000 0.994 577 F N 0.933 120.892 119.950 0.015 0.000 2.425 577 F HA 0.287 4.813 4.527 -0.001 0.000 0.354 577 F C 0.338 176.184 175.800 0.077 0.000 1.162 577 F CA -0.813 57.229 58.000 0.070 0.000 1.250 577 F CB 0.522 39.526 39.000 0.008 0.000 1.579 577 F HN -0.338 nan 8.300 nan 0.000 0.589 578 V N 1.335 121.389 119.914 0.233 0.000 2.760 578 V HA 0.535 4.655 4.120 -0.001 0.000 0.309 578 V C -0.440 175.725 176.094 0.119 0.000 1.077 578 V CA -0.812 61.582 62.300 0.157 0.000 0.910 578 V CB 2.374 34.282 31.823 0.141 0.000 1.008 578 V HN 0.553 nan 8.190 nan 0.000 0.424 579 S N 2.821 118.571 115.700 0.084 0.000 2.600 579 S HA 0.908 5.377 4.470 -0.001 0.000 0.300 579 S C -0.928 173.662 174.600 -0.016 0.000 1.087 579 S CA -0.851 57.380 58.200 0.052 0.000 0.965 579 S CB 2.146 65.394 63.200 0.081 0.000 1.089 579 S HN 0.453 nan 8.310 nan 0.000 0.496 580 V N 1.666 121.533 119.914 -0.079 0.000 2.628 580 V HA 0.837 4.957 4.120 -0.001 0.000 0.306 580 V C -0.025 175.981 176.094 -0.148 0.000 1.045 580 V CA -0.465 61.710 62.300 -0.209 0.000 0.905 580 V CB 1.687 33.200 31.823 -0.517 0.000 0.997 580 V HN 1.223 nan 8.190 nan 0.000 0.436 581 T N -0.616 113.868 114.554 -0.117 0.000 2.896 581 T HA 0.643 4.993 4.350 -0.001 0.000 0.297 581 T C -0.867 173.806 174.700 -0.046 0.000 1.108 581 T CA -0.912 61.141 62.100 -0.078 0.000 1.004 581 T CB 2.097 70.912 68.868 -0.088 0.000 1.159 581 T HN 0.711 nan 8.240 nan 0.000 0.499 582 D N 0.610 120.959 120.400 -0.085 0.000 2.478 582 D HA 0.202 4.842 4.640 -0.001 0.000 0.274 582 D C 1.173 177.331 176.300 -0.238 0.000 1.234 582 D CA -1.179 52.660 54.000 -0.268 0.000 1.069 582 D CB 0.251 40.888 40.800 -0.272 0.000 1.113 582 D HN 0.345 nan 8.370 nan 0.000 0.571 583 L N -0.815 120.250 121.223 -0.262 0.000 2.478 583 L HA 0.088 4.427 4.340 -0.001 0.000 0.223 583 L C 1.718 178.506 176.870 -0.135 0.000 1.140 583 L CA 0.985 55.711 54.840 -0.190 0.000 0.842 583 L CB -0.948 41.005 42.059 -0.178 0.000 0.953 583 L HN 0.629 nan 8.230 nan 0.000 0.452 584 A N -0.715 122.031 122.820 -0.122 0.000 2.278 584 A HA -0.027 4.292 4.320 -0.001 0.000 0.212 584 A C 1.079 178.614 177.584 -0.082 0.000 1.213 584 A CA 0.540 52.524 52.037 -0.089 0.000 0.840 584 A CB -0.435 18.518 19.000 -0.078 0.000 0.866 584 A HN 0.600 nan 8.150 nan 0.000 0.489 585 N N -0.480 118.163 118.700 -0.096 0.000 2.850 585 N HA -0.138 4.602 4.740 -0.001 0.000 0.249 585 N C -1.012 174.451 175.510 -0.080 0.000 1.060 585 N CA 0.873 53.873 53.050 -0.082 0.000 0.825 585 N CB -1.888 36.561 38.487 -0.063 0.000 1.132 585 N HN 0.556 nan 8.380 nan 0.000 0.564 586 N N 1.262 119.911 118.700 -0.085 0.000 2.520 586 N HA 0.252 4.992 4.740 -0.001 0.000 0.273 586 N C -2.503 172.936 175.510 -0.118 0.000 1.155 586 N CA -0.761 52.234 53.050 -0.092 0.000 0.967 586 N CB 0.535 38.978 38.487 -0.074 0.000 1.092 586 N HN 0.255 nan 8.380 nan 0.000 0.457 587 P HA 0.071 nan 4.420 nan 0.000 0.271 587 P C -0.494 176.666 177.300 -0.233 0.000 1.216 587 P CA -0.100 62.819 63.100 -0.303 0.000 0.776 587 P CB 0.817 32.058 31.700 -0.765 0.000 0.881 588 V N 2.952 122.780 119.914 -0.142 0.000 2.487 588 V HA 0.199 4.318 4.120 -0.001 0.000 0.298 588 V C 0.626 176.716 176.094 -0.008 0.000 1.028 588 V CA -0.799 61.473 62.300 -0.047 0.000 0.860 588 V CB 1.391 33.196 31.823 -0.030 0.000 0.991 588 V HN 0.561 nan 8.190 nan 0.000 0.427 589 E N 2.728 122.963 120.200 0.058 0.000 2.452 589 E HA 0.428 4.778 4.350 -0.001 0.000 0.261 589 E C -0.202 176.469 176.600 0.119 0.000 0.987 589 E CA 0.151 56.621 56.400 0.116 0.000 0.926 589 E CB 0.976 30.747 29.700 0.117 0.000 0.934 589 E HN 0.862 nan 8.360 nan 0.000 0.452 590 A N 4.183 127.062 122.820 0.099 0.000 2.527 590 A HA 0.429 4.748 4.320 -0.001 0.000 0.293 590 A C -1.248 176.356 177.584 0.033 0.000 1.117 590 A CA -0.682 51.425 52.037 0.116 0.000 0.723 590 A CB 1.985 21.050 19.000 0.108 0.000 1.313 590 A HN 0.638 nan 8.150 nan 0.000 0.411 591 Q N 0.718 120.544 119.800 0.043 0.000 2.375 591 Q HA 0.673 5.013 4.340 -0.001 0.000 0.271 591 Q C -2.022 173.968 176.000 -0.017 0.000 1.074 591 Q CA -0.566 55.216 55.803 -0.035 0.000 0.808 591 Q CB 2.239 30.995 28.738 0.029 0.000 1.327 591 Q HN 0.586 nan 8.270 nan 0.000 0.441 592 V N 2.422 122.254 119.914 -0.136 0.000 2.513 592 V HA 0.609 4.729 4.120 -0.001 0.000 0.299 592 V C -0.615 175.651 176.094 0.287 0.000 1.035 592 V CA -0.316 62.020 62.300 0.059 0.000 0.889 592 V CB 1.953 33.773 31.823 -0.005 0.000 0.988 592 V HN 0.873 nan 8.190 nan 0.000 0.440 593 S N 4.772 120.692 115.700 0.367 0.000 2.632 593 S HA 0.697 5.167 4.470 -0.001 0.000 0.289 593 S C -2.801 171.909 174.600 0.183 0.000 1.115 593 S CA -1.172 57.245 58.200 0.361 0.000 0.889 593 S CB 2.468 65.809 63.200 0.234 0.000 1.116 593 S HN 0.522 nan 8.310 nan 0.000 0.486 594 P HA 0.324 nan 4.420 nan 0.000 0.274 594 P C -1.220 175.767 177.300 -0.521 0.000 1.256 594 P CA -0.534 62.200 63.100 -0.610 0.000 0.795 594 P CB 0.426 31.364 31.700 -1.270 0.000 1.038 595 V N 1.396 120.918 119.914 -0.654 0.000 2.333 595 V HA 0.236 4.356 4.120 -0.001 0.000 0.274 595 V C -0.710 175.064 176.094 -0.533 0.000 1.028 595 V CA -0.219 61.784 62.300 -0.495 0.000 0.851 595 V CB -0.022 31.411 31.823 -0.650 0.000 1.000 595 V HN 0.521 nan 8.190 nan 0.000 0.456 596 W N 3.355 124.564 121.300 -0.152 0.000 2.478 596 W HA 0.634 5.293 4.660 -0.001 0.000 0.318 596 W C 0.311 176.745 176.519 -0.141 0.000 1.062 596 W CA -0.379 56.858 57.345 -0.180 0.000 1.210 596 W CB 1.907 31.265 29.460 -0.171 0.000 1.325 596 W HN 0.551 nan 8.180 nan 0.000 0.496 597 S N 1.406 117.125 115.700 0.031 0.000 2.513 597 S HA 0.545 5.015 4.470 -0.001 0.000 0.299 597 S C -1.377 173.019 174.600 -0.340 0.000 1.087 597 S CA -0.961 57.202 58.200 -0.061 0.000 1.012 597 S CB 1.145 64.306 63.200 -0.064 0.000 1.044 597 S HN 0.391 nan 8.310 nan 0.000 0.485 598 W N 1.947 123.027 121.300 -0.368 0.000 2.365 598 W HA 0.481 5.141 4.660 -0.001 0.000 0.316 598 W C 0.416 176.512 176.519 -0.706 0.000 1.164 598 W CA -0.123 56.986 57.345 -0.393 0.000 1.204 598 W CB 0.697 30.026 29.460 -0.218 0.000 1.213 598 W HN 0.603 nan 8.180 nan 0.000 0.539 599 H N 2.098 121.160 119.070 -0.013 0.000 2.589 599 H HA 0.103 4.659 4.556 -0.001 0.000 0.351 599 H C -0.706 174.647 175.328 0.042 0.000 1.074 599 H CA -0.843 55.181 56.048 -0.039 0.000 1.203 599 H CB 1.622 31.273 29.762 -0.186 0.000 1.558 599 H HN 0.313 nan 8.280 nan 0.000 0.522 600 H N 2.920 122.048 119.070 0.098 0.000 2.934 600 H HA 0.011 4.567 4.556 -0.001 0.000 0.273 600 H C -0.498 174.903 175.328 0.121 0.000 1.121 600 H CA -0.217 55.893 56.048 0.104 0.000 1.451 600 H CB 0.024 29.827 29.762 0.068 0.000 1.469 600 H HN 0.518 nan 8.280 nan 0.000 0.476 601 D N 3.521 124.189 120.400 0.448 0.000 2.352 601 D HA -0.043 4.597 4.640 -0.001 0.000 0.245 601 D C 0.952 177.393 176.300 0.234 0.000 1.224 601 D CA 0.007 54.203 54.000 0.326 0.000 0.879 601 D CB 0.826 41.921 40.800 0.492 0.000 1.057 601 D HN 0.607 nan 8.370 nan 0.000 0.491 602 T N 4.063 118.667 114.554 0.082 0.000 3.098 602 T HA -0.037 4.313 4.350 -0.001 0.000 0.266 602 T C 1.648 176.366 174.700 0.031 0.000 1.145 602 T CA 0.366 62.461 62.100 -0.008 0.000 1.092 602 T CB 0.057 68.882 68.868 -0.071 0.000 0.908 602 T HN 0.349 nan 8.240 nan 0.000 0.526 603 L N 0.994 122.253 121.223 0.061 0.000 2.189 603 L HA 0.125 4.465 4.340 -0.001 0.000 0.199 603 L C 2.911 179.813 176.870 0.053 0.000 1.074 603 L CA 1.971 56.838 54.840 0.046 0.000 0.783 603 L CB -1.492 40.590 42.059 0.039 0.000 0.955 603 L HN 0.418 nan 8.230 nan 0.000 0.460 604 T N -3.770 110.828 114.554 0.073 0.000 3.088 604 T HA -0.017 4.333 4.350 -0.001 0.000 0.259 604 T C 0.768 175.518 174.700 0.083 0.000 1.122 604 T CA -0.122 62.008 62.100 0.050 0.000 1.095 604 T CB 0.085 68.955 68.868 0.003 0.000 0.930 604 T HN 0.102 nan 8.240 nan 0.000 0.508 605 K N 2.041 122.524 120.400 0.138 0.000 3.096 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.266 605 K C 0.126 176.838 176.600 0.186 0.000 1.043 605 K CA 1.251 57.650 56.287 0.187 0.000 0.758 605 K CB -2.851 29.722 32.500 0.122 0.000 1.260 605 K HN 0.880 nan 8.250 nan 0.000 0.481 606 T N -2.902 111.783 114.554 0.217 0.000 2.901 606 T HA 0.807 5.157 4.350 -0.001 0.000 0.293 606 T C 0.220 175.071 174.700 0.252 0.000 1.084 606 T CA -1.054 61.150 62.100 0.173 0.000 1.008 606 T CB 2.224 71.168 68.868 0.127 0.000 1.170 606 T HN 0.128 nan 8.240 nan 0.000 0.509 607 I N 2.868 123.544 120.570 0.176 0.000 2.354 607 I HA 0.476 4.645 4.170 -0.001 0.000 0.286 607 I C -0.310 176.063 176.117 0.427 0.000 1.007 607 I CA -0.638 60.780 61.300 0.197 0.000 1.167 607 I CB 0.556 38.562 38.000 0.011 0.000 1.320 607 I HN 0.904 nan 8.210 nan 0.000 0.458 608 H N 5.994 125.197 119.070 0.221 0.000 2.980 608 H HA 0.683 5.239 4.556 -0.001 0.000 0.367 608 H C -3.132 171.992 175.328 -0.340 0.000 1.206 608 H CA -2.428 53.609 56.048 -0.019 0.000 1.126 608 H CB 1.971 31.729 29.762 -0.006 0.000 1.838 608 H HN 0.149 nan 8.280 nan 0.000 0.552 609 P HA 0.211 nan 4.420 nan 0.000 0.290 609 P C -1.154 176.054 177.300 -0.152 0.000 1.275 609 P CA -0.674 61.889 63.100 -0.896 0.000 0.841 609 P CB 2.021 32.807 31.700 -1.523 0.000 1.042 610 Q N 0.718 120.546 119.800 0.047 0.000 2.353 610 Q HA 0.594 4.934 4.340 -0.001 0.000 0.268 610 Q C 0.100 176.155 176.000 0.091 0.000 1.045 610 Q CA -0.865 55.035 55.803 0.162 0.000 0.811 610 Q CB 2.507 31.310 28.738 0.109 0.000 1.305 610 Q HN 0.532 nan 8.270 nan 0.000 0.447 611 G N 0.803 109.514 108.800 -0.149 0.000 2.377 611 G HA2 0.301 4.261 3.960 -0.001 0.000 0.299 611 G HA3 0.301 4.261 3.960 -0.001 0.000 0.299 611 G C -0.320 174.287 174.900 -0.487 0.000 1.150 611 G CA -0.352 44.288 45.100 -0.766 0.000 0.847 611 G HN 0.423 nan 8.290 nan 0.000 0.501 612 S N -0.160 115.211 115.700 -0.549 0.000 2.564 612 S HA 0.273 4.743 4.470 -0.001 0.000 0.278 612 S C 1.587 175.916 174.600 -0.451 0.000 1.333 612 S CA 0.328 58.259 58.200 -0.449 0.000 1.048 612 S CB 0.746 63.625 63.200 -0.535 0.000 0.900 612 S HN 0.905 nan 8.310 nan 0.000 0.505 613 T N -0.035 114.340 114.554 -0.298 0.000 3.054 613 T HA 0.118 4.467 4.350 -0.001 0.000 0.255 613 T C 1.253 175.847 174.700 -0.177 0.000 1.035 613 T CA 0.490 62.478 62.100 -0.187 0.000 0.941 613 T CB -0.230 68.590 68.868 -0.080 0.000 1.026 613 T HN 0.699 nan 8.240 nan 0.000 0.533 614 T N -0.826 113.551 114.554 -0.296 0.000 2.985 614 T HA 0.321 4.671 4.350 -0.001 0.000 0.254 614 T C 0.340 174.839 174.700 -0.335 0.000 1.021 614 T CA -0.477 61.498 62.100 -0.208 0.000 0.957 614 T CB -0.047 68.745 68.868 -0.126 0.000 1.047 614 T HN 0.666 nan 8.240 nan 0.000 0.511 615 K N -0.221 119.754 120.400 -0.708 0.000 2.508 615 K HA 0.636 4.956 4.320 -0.001 0.000 0.260 615 K C -2.054 173.880 176.600 -1.110 0.000 0.949 615 K CA -1.042 54.862 56.287 -0.639 0.000 0.834 615 K CB 1.646 33.921 32.500 -0.375 0.000 1.365 615 K HN 0.126 nan 8.250 nan 0.000 0.437 616 Y N -0.236 119.996 120.300 -0.113 0.000 2.638 616 Y HA 0.486 5.035 4.550 -0.001 0.000 0.339 616 Y C -0.420 175.509 175.900 0.049 0.000 1.084 616 Y CA -1.191 56.871 58.100 -0.063 0.000 1.068 616 Y CB 2.194 40.685 38.460 0.051 0.000 1.294 616 Y HN 0.359 nan 8.280 nan 0.000 0.480 617 R N 1.626 122.276 120.500 0.250 0.000 2.295 617 R HA 0.554 4.894 4.340 -0.001 0.000 0.324 617 R C -1.263 175.214 176.300 0.296 0.000 0.968 617 R CA -0.598 55.687 56.100 0.308 0.000 0.837 617 R CB 1.524 31.978 30.300 0.257 0.000 1.133 617 R HN 0.651 nan 8.270 nan 0.000 0.450 618 I N 4.544 125.309 120.570 0.325 0.000 2.412 618 I HA 0.430 4.599 4.170 -0.001 0.000 0.296 618 I C -1.015 175.289 176.117 0.313 0.000 0.987 618 I CA -0.734 60.745 61.300 0.298 0.000 1.180 618 I CB 0.973 39.160 38.000 0.312 0.000 1.340 618 I HN 0.549 nan 8.210 nan 0.000 0.455 619 I N 8.054 128.776 120.570 0.253 0.000 2.545 619 I HA 0.525 4.695 4.170 -0.001 0.000 0.292 619 I C -1.020 175.249 176.117 0.254 0.000 1.040 619 I CA -0.527 60.872 61.300 0.165 0.000 1.068 619 I CB 1.784 39.839 38.000 0.092 0.000 1.251 619 I HN 0.529 nan 8.210 nan 0.000 0.424 620 F N 2.524 122.497 119.950 0.038 0.000 2.713 620 F HA 0.553 5.080 4.527 -0.001 0.000 0.311 620 F C -1.101 174.676 175.800 -0.039 0.000 1.141 620 F CA -1.276 56.722 58.000 -0.003 0.000 0.939 620 F CB 1.315 40.298 39.000 -0.028 0.000 1.325 620 F HN 0.211 nan 8.300 nan 0.000 0.453 621 K N 2.059 122.557 120.400 0.163 0.000 2.285 621 K HA 0.721 5.041 4.320 -0.001 0.000 0.286 621 K C -0.575 176.075 176.600 0.083 0.000 1.072 621 K CA -0.289 56.029 56.287 0.052 0.000 0.913 621 K CB 0.762 33.322 32.500 0.100 0.000 1.067 621 K HN 0.919 nan 8.250 nan 0.000 0.479 622 A N 4.543 127.321 122.820 -0.071 0.000 2.304 622 A HA 0.450 4.769 4.320 -0.001 0.000 0.301 622 A C -0.660 177.059 177.584 0.224 0.000 1.132 622 A CA -0.689 51.366 52.037 0.030 0.000 0.819 622 A CB 0.741 19.724 19.000 -0.028 0.000 1.094 622 A HN 0.873 nan 8.150 nan 0.000 0.492 623 R N 1.617 122.368 120.500 0.419 0.000 2.476 623 R HA 0.609 4.948 4.340 -0.001 0.000 0.305 623 R C -1.973 174.587 176.300 0.434 0.000 0.965 623 R CA -0.244 56.086 56.100 0.383 0.000 0.867 623 R CB 1.447 31.955 30.300 0.348 0.000 1.176 623 R HN 0.513 nan 8.270 nan 0.000 0.447 624 V N 5.710 125.832 119.914 0.347 0.000 2.709 624 V HA 0.483 4.602 4.120 -0.001 0.000 0.308 624 V C -2.308 173.675 176.094 -0.185 0.000 1.062 624 V CA -2.346 60.046 62.300 0.153 0.000 0.901 624 V CB 1.943 33.831 31.823 0.107 0.000 1.003 624 V HN 0.782 nan 8.190 nan 0.000 0.425 625 P HA 0.227 nan 4.420 nan 0.000 0.271 625 P C -2.757 174.054 177.300 -0.815 0.000 1.233 625 P CA -1.381 60.817 63.100 -1.503 0.000 0.789 625 P CB -0.291 30.675 31.700 -1.223 0.000 0.951 626 P HA 0.072 nan 4.420 nan 0.000 0.265 626 P C 0.185 177.436 177.300 -0.082 0.000 1.193 626 P CA 0.571 63.477 63.100 -0.323 0.000 0.765 626 P CB -0.207 31.379 31.700 -0.190 0.000 0.823 627 M N 0.198 119.800 119.600 0.003 0.000 2.210 627 M HA -0.221 4.258 4.480 -0.001 0.000 0.198 627 M C 0.585 177.081 176.300 0.326 0.000 0.319 627 M CA 0.970 56.415 55.300 0.240 0.000 0.399 627 M CB -2.022 30.808 32.600 0.383 0.000 1.227 627 M HN 0.600 nan 8.290 nan 0.000 0.931 628 G N -0.235 108.608 108.800 0.072 0.000 3.086 628 G HA2 0.932 4.891 3.960 -0.001 0.000 0.282 628 G HA3 0.932 4.891 3.960 -0.001 0.000 0.282 628 G C -1.332 173.684 174.900 0.194 0.000 1.343 628 G CA -0.969 44.136 45.100 0.007 0.000 0.895 628 G HN 0.189 nan 8.290 nan 0.000 0.557 629 L N -0.550 120.767 121.223 0.157 0.000 2.371 629 L HA 0.812 5.151 4.340 -0.001 0.000 0.262 629 L C -0.284 176.674 176.870 0.147 0.000 1.006 629 L CA -1.047 53.923 54.840 0.217 0.000 0.818 629 L CB 2.489 44.694 42.059 0.242 0.000 1.354 629 L HN 0.776 nan 8.230 nan 0.000 0.415 630 A N 0.657 123.607 122.820 0.216 0.000 2.427 630 A HA 0.783 5.102 4.320 -0.001 0.000 0.298 630 A C -0.813 176.906 177.584 0.225 0.000 1.036 630 A CA -0.447 51.692 52.037 0.171 0.000 0.701 630 A CB 1.710 20.859 19.000 0.248 0.000 1.250 630 A HN 0.553 nan 8.150 nan 0.000 0.412 631 T N 2.201 116.780 114.554 0.042 0.000 2.829 631 T HA 0.646 4.996 4.350 -0.001 0.000 0.282 631 T C -0.978 173.601 174.700 -0.203 0.000 0.990 631 T CA 0.269 62.435 62.100 0.110 0.000 1.028 631 T CB 0.321 69.260 68.868 0.118 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.329 120.708 120.300 0.132 0.000 2.633 632 Y HA 0.684 5.234 4.550 -0.001 0.000 0.339 632 Y C -0.332 175.483 175.900 -0.142 0.000 1.045 632 Y CA -1.178 56.910 58.100 -0.021 0.000 1.098 632 Y CB 1.696 40.146 38.460 -0.017 0.000 1.296 632 Y HN 0.311 nan 8.280 nan 0.000 0.494 633 V N 2.883 122.749 119.914 -0.080 0.000 2.638 633 V HA 0.425 4.545 4.120 -0.001 0.000 0.306 633 V C -0.859 175.178 176.094 -0.096 0.000 1.052 633 V CA -0.968 61.228 62.300 -0.174 0.000 0.885 633 V CB 1.834 33.476 31.823 -0.302 0.000 0.999 633 V HN 0.490 nan 8.190 nan 0.000 0.424 634 L N 3.836 125.034 121.223 -0.042 0.000 2.296 634 L HA 0.679 5.018 4.340 -0.001 0.000 0.286 634 L C -0.109 176.780 176.870 0.033 0.000 1.023 634 L CA -0.100 54.731 54.840 -0.016 0.000 0.812 634 L CB 1.827 43.891 42.059 0.008 0.000 1.223 634 L HN 0.626 nan 8.230 nan 0.000 0.421 635 T N 3.740 118.317 114.554 0.039 0.000 2.861 635 T HA 0.474 4.823 4.350 -0.001 0.000 0.287 635 T C -0.240 174.511 174.700 0.085 0.000 1.003 635 T CA -0.384 61.752 62.100 0.060 0.000 0.977 635 T CB 2.474 71.366 68.868 0.041 0.000 0.996 635 T HN 0.392 nan 8.240 nan 0.000 0.448 636 I N 2.860 123.488 120.570 0.097 0.000 2.612 636 I HA 0.597 4.766 4.170 -0.001 0.000 0.295 636 I C 0.117 176.297 176.117 0.105 0.000 1.011 636 I CA 0.035 61.408 61.300 0.122 0.000 1.326 636 I CB 0.860 38.936 38.000 0.126 0.000 1.427 636 I HN 0.825 nan 8.210 nan 0.000 0.537 637 S N 2.374 118.148 115.700 0.124 0.000 2.661 637 S HA 0.367 4.836 4.470 -0.001 0.000 0.285 637 S C -0.171 174.439 174.600 0.017 0.000 1.138 637 S CA -0.482 57.751 58.200 0.056 0.000 0.855 637 S CB 1.574 64.793 63.200 0.032 0.000 1.136 637 S HN 0.697 nan 8.310 nan 0.000 0.484 638 D N 0.566 120.922 120.400 -0.073 0.000 2.317 638 D HA 0.141 4.780 4.640 -0.001 0.000 0.211 638 D C 1.023 177.034 176.300 -0.481 0.000 0.966 638 D CA 0.882 54.792 54.000 -0.150 0.000 0.876 638 D CB -0.126 40.609 40.800 -0.108 0.000 0.927 638 D HN 0.660 nan 8.370 nan 0.000 0.519 639 S N -1.583 113.777 115.700 -0.567 0.000 2.794 639 S HA 0.380 4.849 4.470 -0.001 0.000 0.299 639 S C -0.773 173.435 174.600 -0.654 0.000 1.179 639 S CA -1.294 56.310 58.200 -0.993 0.000 0.838 639 S CB 1.169 64.055 63.200 -0.522 0.000 1.206 639 S HN -0.084 nan 8.310 nan 0.000 0.523 640 K N 2.278 122.419 120.400 -0.432 0.000 2.466 640 K HA 0.181 4.501 4.320 -0.001 0.000 0.278 640 K C -2.290 174.355 176.600 0.076 0.000 1.048 640 K CA -0.581 55.755 56.287 0.081 0.000 1.088 640 K CB -0.475 32.102 32.500 0.129 0.000 0.884 640 K HN 0.420 nan 8.250 nan 0.000 0.478 641 P HA 0.032 nan 4.420 nan 0.000 0.277 641 P C 0.384 177.707 177.300 0.038 0.000 1.240 641 P CA -0.322 62.831 63.100 0.087 0.000 0.798 641 P CB 0.871 32.644 31.700 0.121 0.000 0.979 642 E N 0.795 120.973 120.200 -0.036 0.000 2.118 642 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 642 E C 0.565 176.946 176.600 -0.365 0.000 0.992 642 E CA 1.147 57.425 56.400 -0.203 0.000 0.804 642 E CB -0.022 29.506 29.700 -0.288 0.000 0.741 642 E HN 0.465 nan 8.360 nan 0.000 0.458 643 H N -0.779 118.304 119.070 0.021 0.000 2.505 643 H HA 0.216 4.772 4.556 -0.001 0.000 0.286 643 H C -0.420 174.903 175.328 -0.007 0.000 1.072 643 H CA 0.177 56.231 56.048 0.010 0.000 1.141 643 H CB 0.766 30.532 29.762 0.006 0.000 1.550 643 H HN -0.055 nan 8.280 nan 0.000 0.547 644 T N 1.472 116.041 114.554 0.025 0.000 2.792 644 T HA 0.323 4.673 4.350 -0.001 0.000 0.280 644 T C 0.328 174.902 174.700 -0.210 0.000 0.990 644 T CA -0.673 61.379 62.100 -0.080 0.000 0.960 644 T CB 2.126 70.948 68.868 -0.077 0.000 0.939 644 T HN 0.275 nan 8.240 nan 0.000 0.439 645 S N 2.383 117.908 115.700 -0.291 0.000 2.704 645 S HA 0.787 5.257 4.470 -0.001 0.000 0.305 645 S C -1.426 172.793 174.600 -0.635 0.000 1.107 645 S CA -0.802 57.236 58.200 -0.270 0.000 0.993 645 S CB 0.910 64.070 63.200 -0.066 0.000 1.110 645 S HN 0.570 nan 8.310 nan 0.000 0.534 646 Y N -0.006 120.292 120.300 -0.002 0.000 2.376 646 Y HA 0.659 5.209 4.550 -0.001 0.000 0.340 646 Y C 0.575 176.521 175.900 0.076 0.000 0.965 646 Y CA -0.756 57.324 58.100 -0.034 0.000 1.078 646 Y CB 1.745 40.046 38.460 -0.265 0.000 1.193 646 Y HN 1.041 nan 8.280 nan 0.000 0.452 647 A N 1.983 124.983 122.820 0.300 0.000 2.407 647 A HA 0.520 4.840 4.320 -0.001 0.000 0.248 647 A C 0.233 178.021 177.584 0.340 0.000 1.082 647 A CA -0.315 51.894 52.037 0.286 0.000 0.785 647 A CB -0.033 19.134 19.000 0.278 0.000 1.020 647 A HN 0.761 nan 8.150 nan 0.000 0.489 648 S N 1.915 117.749 115.700 0.224 0.000 2.646 648 S HA 0.572 5.041 4.470 -0.001 0.000 0.276 648 S C -0.360 174.342 174.600 0.170 0.000 1.222 648 S CA -0.912 57.407 58.200 0.198 0.000 1.014 648 S CB 0.850 64.120 63.200 0.117 0.000 0.991 648 S HN 0.697 nan 8.310 nan 0.000 0.533 649 N N 0.328 119.106 118.700 0.129 0.000 2.260 649 N HA 0.517 5.257 4.740 -0.001 0.000 0.293 649 N C -1.989 173.465 175.510 -0.092 0.000 1.058 649 N CA -0.536 52.542 53.050 0.046 0.000 0.824 649 N CB 2.079 40.670 38.487 0.173 0.000 1.551 649 N HN 0.593 nan 8.380 nan 0.000 0.475 650 L N 2.485 123.603 121.223 -0.175 0.000 2.404 650 L HA 0.463 4.802 4.340 -0.001 0.000 0.272 650 L C -1.549 175.146 176.870 -0.292 0.000 0.980 650 L CA -0.567 54.135 54.840 -0.229 0.000 0.836 650 L CB 1.485 43.468 42.059 -0.127 0.000 1.238 650 L HN 0.419 nan 8.230 nan 0.000 0.408 651 L N 6.682 127.665 121.223 -0.400 0.000 2.257 651 L HA 0.468 4.807 4.340 -0.001 0.000 0.290 651 L C -1.244 175.570 176.870 -0.093 0.000 1.044 651 L CA -0.307 54.358 54.840 -0.291 0.000 0.810 651 L CB 1.060 42.919 42.059 -0.332 0.000 1.193 651 L HN 0.686 nan 8.230 nan 0.000 0.425 652 L N 7.078 128.276 121.223 -0.043 0.000 2.280 652 L HA 0.582 4.921 4.340 -0.001 0.000 0.287 652 L C -0.319 176.580 176.870 0.049 0.000 1.023 652 L CA -0.544 54.306 54.840 0.016 0.000 0.819 652 L CB 1.164 43.226 42.059 0.005 0.000 1.212 652 L HN 0.685 nan 8.230 nan 0.000 0.420 653 R N 1.993 122.535 120.500 0.071 0.000 2.765 653 R HA 0.442 4.781 4.340 -0.001 0.000 0.277 653 R C -1.718 174.617 176.300 0.059 0.000 1.028 653 R CA -1.120 55.018 56.100 0.064 0.000 0.860 653 R CB 1.006 31.346 30.300 0.066 0.000 1.270 653 R HN 0.121 nan 8.270 nan 0.000 0.484 654 K N 1.247 121.670 120.400 0.039 0.000 2.154 654 K HA 0.189 4.508 4.320 -0.001 0.000 0.264 654 K C -0.213 176.392 176.600 0.009 0.000 1.008 654 K CA -0.633 55.669 56.287 0.025 0.000 0.937 654 K CB 0.547 33.059 32.500 0.019 0.000 1.002 654 K HN 0.817 nan 8.250 nan 0.000 0.469 655 N N 0.820 119.515 118.700 -0.008 0.000 2.746 655 N HA -0.109 4.631 4.740 -0.001 0.000 0.250 655 N C -2.590 172.886 175.510 -0.057 0.000 1.055 655 N CA 0.148 53.177 53.050 -0.035 0.000 0.699 655 N CB -0.746 37.722 38.487 -0.032 0.000 0.919 655 N HN 0.442 nan 8.380 nan 0.000 0.548 656 P HA 0.364 nan 4.420 nan 0.000 0.278 656 P C -0.381 176.765 177.300 -0.256 0.000 1.258 656 P CA -0.191 62.837 63.100 -0.120 0.000 0.811 656 P CB 1.151 32.797 31.700 -0.090 0.000 1.063 657 T N -3.111 111.285 114.554 -0.262 0.000 2.916 657 T HA 0.475 4.824 4.350 -0.001 0.000 0.292 657 T C 0.229 174.730 174.700 -0.331 0.000 1.064 657 T CA -0.752 61.189 62.100 -0.265 0.000 1.011 657 T CB 0.607 69.397 68.868 -0.129 0.000 1.152 657 T HN 0.487 nan 8.240 nan 0.000 0.510 658 S N 0.894 116.447 115.700 -0.244 0.000 2.566 658 S HA 0.351 4.821 4.470 -0.001 0.000 0.280 658 S C -0.178 174.519 174.600 0.162 0.000 1.343 658 S CA -0.693 57.471 58.200 -0.061 0.000 1.036 658 S CB -0.396 62.791 63.200 -0.021 0.000 0.866 658 S HN 0.697 nan 8.310 nan 0.000 0.526 659 L N 2.887 124.312 121.223 0.337 0.000 2.490 659 L HA 0.393 4.733 4.340 -0.001 0.000 0.256 659 L C -2.304 174.684 176.870 0.196 0.000 1.089 659 L CA -1.597 53.417 54.840 0.290 0.000 0.916 659 L CB 1.890 44.210 42.059 0.435 0.000 1.188 659 L HN 0.618 nan 8.230 nan 0.000 0.476 660 P HA 0.229 nan 4.420 nan 0.000 0.278 660 P C -0.329 176.969 177.300 -0.003 0.000 1.238 660 P CA -0.273 62.866 63.100 0.065 0.000 0.794 660 P CB 1.907 33.635 31.700 0.047 0.000 0.955 661 L N 1.585 122.814 121.223 0.011 0.000 3.193 661 L HA 0.292 4.632 4.340 -0.001 0.000 0.305 661 L C 1.445 178.383 176.870 0.114 0.000 1.299 661 L CA -0.297 54.522 54.840 -0.036 0.000 0.904 661 L CB 0.118 42.117 42.059 -0.099 0.000 1.331 661 L HN 0.717 nan 8.230 nan 0.000 0.588 662 G N 1.155 110.002 108.800 0.078 0.000 2.651 662 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.315 662 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.315 662 G C 0.584 175.556 174.900 0.120 0.000 1.258 662 G CA 0.857 46.027 45.100 0.117 0.000 1.002 662 G HN 0.534 nan 8.290 nan 0.000 0.551 663 Q N -0.430 119.436 119.800 0.109 0.000 2.444 663 Q HA 0.224 4.564 4.340 -0.001 0.000 0.206 663 Q C 0.746 176.597 176.000 -0.248 0.000 0.948 663 Q CA 0.103 55.859 55.803 -0.078 0.000 0.946 663 Q CB 0.265 28.890 28.738 -0.187 0.000 1.027 663 Q HN 0.507 nan 8.270 nan 0.000 0.513 664 Y N 3.995 124.128 120.300 -0.279 0.000 2.805 664 Y HA -0.069 4.481 4.550 -0.001 0.000 0.331 664 Y C -1.281 174.464 175.900 -0.259 0.000 1.241 664 Y CA -1.323 56.578 58.100 -0.333 0.000 1.546 664 Y CB 0.799 39.235 38.460 -0.040 0.000 1.248 664 Y HN 0.059 nan 8.280 nan 0.000 0.559 665 P HA -0.073 nan 4.420 nan 0.000 0.233 665 P C -0.416 176.733 177.300 -0.252 0.000 1.167 665 P CA 0.914 63.734 63.100 -0.466 0.000 0.770 665 P CB 0.507 31.790 31.700 -0.695 0.000 0.837 666 E N 0.668 120.766 120.200 -0.171 0.000 2.158 666 E HA 0.255 4.605 4.350 -0.001 0.000 0.271 666 E C -0.599 176.146 176.600 0.242 0.000 0.911 666 E CA -0.649 55.798 56.400 0.079 0.000 0.767 666 E CB 0.523 30.312 29.700 0.147 0.000 1.120 666 E HN -0.085 nan 8.360 nan 0.000 0.405 667 D N 1.840 122.333 120.400 0.155 0.000 2.389 667 D HA 0.080 4.720 4.640 -0.001 0.000 0.247 667 D C -0.100 176.283 176.300 0.139 0.000 1.128 667 D CA -0.157 53.937 54.000 0.157 0.000 0.884 667 D CB 1.087 41.963 40.800 0.126 0.000 1.194 667 D HN 0.128 nan 8.370 nan 0.000 0.441 668 V N 3.615 123.602 119.914 0.122 0.000 2.673 668 V HA -0.028 4.091 4.120 -0.001 0.000 0.303 668 V C 1.005 176.982 176.094 -0.194 0.000 1.046 668 V CA 0.215 62.494 62.300 -0.035 0.000 1.126 668 V CB 0.509 32.299 31.823 -0.056 0.000 0.934 668 V HN 0.279 nan 8.190 nan 0.000 0.487 669 K N 3.195 123.410 120.400 -0.307 0.000 2.123 669 K HA 0.636 4.956 4.320 -0.001 0.000 0.248 669 K C -1.097 175.141 176.600 -0.603 0.000 0.969 669 K CA -0.358 55.786 56.287 -0.237 0.000 0.882 669 K CB 1.821 34.272 32.500 -0.082 0.000 1.080 669 K HN 0.430 nan 8.250 nan 0.000 0.441 670 F N -0.970 118.991 119.950 0.018 0.000 2.593 670 F HA 0.646 5.172 4.527 -0.001 0.000 0.320 670 F C 0.589 176.392 175.800 0.005 0.000 1.060 670 F CA -0.552 57.450 58.000 0.004 0.000 0.940 670 F CB 2.586 41.589 39.000 0.004 0.000 1.268 670 F HN 0.623 nan 8.300 nan 0.000 0.475 671 G N 0.319 109.219 108.800 0.166 0.000 2.523 671 G HA2 0.385 4.345 3.960 -0.001 0.000 0.291 671 G HA3 0.385 4.345 3.960 -0.001 0.000 0.291 671 G C -2.224 172.724 174.900 0.081 0.000 1.450 671 G CA -0.866 44.294 45.100 0.100 0.000 0.790 671 G HN 0.362 nan 8.290 nan 0.000 0.496 672 D N 0.762 121.198 120.400 0.060 0.000 2.362 672 D HA 0.417 5.056 4.640 -0.001 0.000 0.242 672 D C -1.995 174.331 176.300 0.043 0.000 1.132 672 D CA -0.702 53.327 54.000 0.049 0.000 0.907 672 D CB 1.027 41.850 40.800 0.039 0.000 1.195 672 D HN 0.011 nan 8.370 nan 0.000 0.429 673 P HA 0.067 nan 4.420 nan 0.000 0.264 673 P C -0.465 176.859 177.300 0.040 0.000 1.183 673 P CA 0.429 63.554 63.100 0.042 0.000 0.763 673 P CB 0.391 32.117 31.700 0.044 0.000 0.807 674 R N 0.430 120.955 120.500 0.042 0.000 2.712 674 R HA 0.418 4.758 4.340 -0.001 0.000 0.272 674 R C -1.139 175.195 176.300 0.056 0.000 1.032 674 R CA -1.030 55.095 56.100 0.042 0.000 0.874 674 R CB 1.076 31.397 30.300 0.035 0.000 1.256 674 R HN 0.221 nan 8.270 nan 0.000 0.468 675 E N 1.465 121.700 120.200 0.057 0.000 2.398 675 E HA 0.263 4.612 4.350 -0.001 0.000 0.263 675 E C -0.029 176.624 176.600 0.087 0.000 1.046 675 E CA -0.029 56.419 56.400 0.079 0.000 0.908 675 E CB 0.872 30.603 29.700 0.051 0.000 0.963 675 E HN 0.449 nan 8.360 nan 0.000 0.431 676 I N -2.193 118.463 120.570 0.144 0.000 3.095 676 I HA 0.557 4.726 4.170 -0.001 0.000 0.310 676 I C -0.717 175.540 176.117 0.234 0.000 1.196 676 I CA -0.756 60.629 61.300 0.143 0.000 0.985 676 I CB 2.488 40.545 38.000 0.096 0.000 1.250 676 I HN 0.133 nan 8.210 nan 0.000 0.446 677 S N 3.371 119.183 115.700 0.186 0.000 2.548 677 S HA 0.857 5.327 4.470 -0.001 0.000 0.286 677 S C -0.866 173.852 174.600 0.196 0.000 1.098 677 S CA -0.640 57.687 58.200 0.210 0.000 0.930 677 S CB 1.753 65.027 63.200 0.123 0.000 1.070 677 S HN 0.553 nan 8.310 nan 0.000 0.480 678 L N 1.850 123.216 121.223 0.238 0.000 2.424 678 L HA 0.684 5.023 4.340 -0.001 0.000 0.258 678 L C -0.571 176.394 176.870 0.159 0.000 0.995 678 L CA -0.690 54.260 54.840 0.183 0.000 0.821 678 L CB 2.378 44.555 42.059 0.196 0.000 1.383 678 L HN 0.536 nan 8.230 nan 0.000 0.410 679 R N 1.601 122.171 120.500 0.116 0.000 2.510 679 R HA 0.660 4.999 4.340 -0.001 0.000 0.287 679 R C -2.070 174.278 176.300 0.079 0.000 1.084 679 R CA -0.442 55.714 56.100 0.093 0.000 0.934 679 R CB 2.160 32.506 30.300 0.077 0.000 1.201 679 R HN 0.414 nan 8.270 nan 0.000 0.431 680 V N 4.569 124.529 119.914 0.076 0.000 2.483 680 V HA 0.577 4.697 4.120 -0.001 0.000 0.295 680 V C 1.156 177.283 176.094 0.055 0.000 1.035 680 V CA 0.664 63.004 62.300 0.066 0.000 0.896 680 V CB 1.216 33.080 31.823 0.069 0.000 0.986 680 V HN 1.105 nan 8.190 nan 0.000 0.447 681 G N 4.815 113.645 108.800 0.050 0.000 2.634 681 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.309 681 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.309 681 G C 0.590 175.512 174.900 0.037 0.000 1.265 681 G CA 0.729 45.855 45.100 0.042 0.000 0.998 681 G HN 0.680 nan 8.290 nan 0.000 0.551 682 N N 2.242 120.961 118.700 0.031 0.000 2.236 682 N HA 0.202 4.941 4.740 -0.001 0.000 0.196 682 N C 1.513 177.035 175.510 0.020 0.000 1.114 682 N CA 1.015 54.078 53.050 0.023 0.000 0.859 682 N CB 0.107 38.604 38.487 0.018 0.000 0.982 682 N HN 0.857 nan 8.380 nan 0.000 0.493 683 G N 2.439 111.255 108.800 0.027 0.000 2.504 683 G HA2 0.011 3.970 3.960 -0.001 0.000 0.291 683 G HA3 0.011 3.970 3.960 -0.001 0.000 0.291 683 G C -2.148 172.764 174.900 0.020 0.000 1.345 683 G CA -0.410 44.704 45.100 0.025 0.000 1.090 683 G HN 0.059 nan 8.290 nan 0.000 0.591 684 P HA 0.206 nan 4.420 nan 0.000 0.274 684 P C -0.512 176.805 177.300 0.029 0.000 1.256 684 P CA -0.013 63.090 63.100 0.006 0.000 0.795 684 P CB 0.854 32.553 31.700 -0.001 0.000 1.038 685 T N 1.670 116.237 114.554 0.021 0.000 2.779 685 T HA 0.507 4.856 4.350 -0.001 0.000 0.280 685 T C -0.116 174.617 174.700 0.055 0.000 0.987 685 T CA -0.399 61.739 62.100 0.063 0.000 0.966 685 T CB 0.220 69.137 68.868 0.081 0.000 0.933 685 T HN 0.175 nan 8.240 nan 0.000 0.442 686 L N 2.524 123.791 121.223 0.072 0.000 2.346 686 L HA 0.817 5.157 4.340 -0.001 0.000 0.276 686 L C 0.041 176.874 176.870 -0.062 0.000 1.006 686 L CA -1.217 53.591 54.840 -0.053 0.000 0.817 686 L CB 1.686 43.687 42.059 -0.096 0.000 1.272 686 L HN 0.649 nan 8.230 nan 0.000 0.421 687 A N 2.907 125.604 122.820 -0.205 0.000 2.337 687 A HA 0.883 5.203 4.320 -0.001 0.000 0.329 687 A C -1.241 176.149 177.584 -0.324 0.000 1.146 687 A CA -0.296 51.683 52.037 -0.098 0.000 0.800 687 A CB 0.866 19.840 19.000 -0.042 0.000 1.220 687 A HN 0.492 nan 8.150 nan 0.000 0.472 688 F N 0.675 120.666 119.950 0.068 0.000 2.577 688 F HA 0.568 5.095 4.527 -0.001 0.000 0.318 688 F C 1.040 176.880 175.800 0.066 0.000 1.065 688 F CA -0.374 57.683 58.000 0.095 0.000 0.929 688 F CB 2.124 41.185 39.000 0.102 0.000 1.237 688 F HN 0.662 nan 8.300 nan 0.000 0.468 689 S N -0.160 115.694 115.700 0.257 0.000 2.624 689 S HA 0.130 4.599 4.470 -0.001 0.000 0.263 689 S C 0.958 175.657 174.600 0.164 0.000 1.287 689 S CA -0.111 58.180 58.200 0.152 0.000 0.990 689 S CB 0.760 64.038 63.200 0.130 0.000 0.950 689 S HN 0.845 nan 8.310 nan 0.000 0.561 690 E N -0.178 120.085 120.200 0.105 0.000 2.463 690 E HA -0.184 4.165 4.350 -0.001 0.000 0.201 690 E C 1.200 177.857 176.600 0.095 0.000 1.045 690 E CA 0.942 57.395 56.400 0.088 0.000 0.872 690 E CB -0.373 29.363 29.700 0.061 0.000 0.797 690 E HN 0.749 nan 8.360 nan 0.000 0.538 691 Q N -0.117 119.756 119.800 0.123 0.000 2.246 691 Q HA 0.211 4.550 4.340 -0.001 0.000 0.202 691 Q C 0.778 176.866 176.000 0.146 0.000 0.883 691 Q CA 0.464 56.339 55.803 0.119 0.000 0.952 691 Q CB 1.022 29.835 28.738 0.126 0.000 1.078 691 Q HN 0.491 nan 8.270 nan 0.000 0.493 692 G N 0.314 109.221 108.800 0.178 0.000 2.136 692 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.242 692 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.242 692 G C -0.263 174.867 174.900 0.384 0.000 0.989 692 G CA -0.093 45.118 45.100 0.184 0.000 0.682 692 G HN 0.268 nan 8.290 nan 0.000 0.522 693 L N -0.224 121.269 121.223 0.450 0.000 2.325 693 L HA 0.695 5.035 4.340 -0.001 0.000 0.278 693 L C 0.774 177.967 176.870 0.538 0.000 1.023 693 L CA -1.413 53.749 54.840 0.536 0.000 0.811 693 L CB 1.564 43.850 42.059 0.379 0.000 1.249 693 L HN 0.123 nan 8.230 nan 0.000 0.431 694 L N 3.056 124.570 121.223 0.485 0.000 2.559 694 L HA -0.037 4.303 4.340 -0.001 0.000 0.282 694 L C 0.990 177.929 176.870 0.115 0.000 1.232 694 L CA 0.925 55.773 54.840 0.013 0.000 0.885 694 L CB 0.151 42.263 42.059 0.088 0.000 1.131 694 L HN 0.804 nan 8.230 nan 0.000 0.498 695 K N 1.435 121.791 120.400 -0.073 0.000 2.511 695 K HA 0.323 4.642 4.320 -0.001 0.000 0.209 695 K C -0.086 176.449 176.600 -0.109 0.000 1.301 695 K CA 0.301 56.561 56.287 -0.045 0.000 0.967 695 K CB 0.446 32.885 32.500 -0.102 0.000 1.109 695 K HN 0.594 nan 8.250 nan 0.000 0.561 696 S N 0.345 115.959 115.700 -0.143 0.000 2.567 696 S HA 0.580 5.050 4.470 -0.001 0.000 0.270 696 S C -1.238 173.304 174.600 -0.097 0.000 1.152 696 S CA -0.989 57.152 58.200 -0.097 0.000 0.835 696 S CB 1.306 64.499 63.200 -0.012 0.000 1.115 696 S HN 0.180 nan 8.310 nan 0.000 0.459 697 I N 1.551 122.076 120.570 -0.074 0.000 2.498 697 I HA 0.480 4.649 4.170 -0.001 0.000 0.290 697 I C -0.595 175.475 176.117 -0.079 0.000 1.032 697 I CA -0.397 60.860 61.300 -0.072 0.000 1.073 697 I CB 2.158 40.106 38.000 -0.087 0.000 1.251 697 I HN 0.773 nan 8.210 nan 0.000 0.426 698 Q N 6.045 125.788 119.800 -0.095 0.000 2.341 698 Q HA 0.436 4.775 4.340 -0.001 0.000 0.268 698 Q C -0.181 175.747 176.000 -0.121 0.000 1.013 698 Q CA -0.574 55.107 55.803 -0.203 0.000 0.798 698 Q CB 1.826 30.308 28.738 -0.428 0.000 1.253 698 Q HN 0.773 nan 8.270 nan 0.000 0.457 699 L N 1.995 123.153 121.223 -0.108 0.000 2.056 699 L HA 0.006 4.345 4.340 -0.001 0.000 0.207 699 L C 1.136 177.972 176.870 -0.058 0.000 1.078 699 L CA 1.299 56.097 54.840 -0.070 0.000 0.749 699 L CB -0.265 41.755 42.059 -0.064 0.000 0.901 699 L HN 0.706 nan 8.230 nan 0.000 0.433 700 T N -6.003 108.508 114.554 -0.071 0.000 2.887 700 T HA 0.171 4.521 4.350 -0.001 0.000 0.292 700 T C 0.354 175.018 174.700 -0.060 0.000 1.087 700 T CA -0.735 61.335 62.100 -0.050 0.000 1.009 700 T CB 2.127 70.970 68.868 -0.042 0.000 1.203 700 T HN -0.059 nan 8.240 nan 0.000 0.518 701 Q N -0.380 119.400 119.800 -0.034 0.000 2.297 701 Q HA -0.134 4.206 4.340 -0.001 0.000 0.208 701 Q C 0.647 176.626 176.000 -0.035 0.000 0.981 701 Q CA 1.562 57.350 55.803 -0.025 0.000 0.876 701 Q CB 0.044 28.781 28.738 -0.001 0.000 0.921 701 Q HN 0.610 nan 8.270 nan 0.000 0.446 702 D N -0.727 119.648 120.400 -0.042 0.000 2.469 702 D HA 0.042 4.682 4.640 -0.001 0.000 0.213 702 D C 0.147 176.409 176.300 -0.064 0.000 1.135 702 D CA 0.155 54.132 54.000 -0.039 0.000 0.834 702 D CB 0.538 41.328 40.800 -0.016 0.000 1.009 702 D HN 0.137 nan 8.370 nan 0.000 0.507 703 S N 1.571 117.215 115.700 -0.093 0.000 2.596 703 S HA 0.290 4.760 4.470 -0.001 0.000 0.260 703 S C -2.334 172.172 174.600 -0.156 0.000 1.336 703 S CA -0.930 57.210 58.200 -0.101 0.000 0.993 703 S CB 0.879 64.021 63.200 -0.097 0.000 0.923 703 S HN -0.113 nan 8.310 nan 0.000 0.567 704 P HA 0.129 nan 4.420 nan 0.000 0.272 704 P C -0.662 176.513 177.300 -0.208 0.000 1.230 704 P CA -0.185 62.849 63.100 -0.110 0.000 0.788 704 P CB 0.176 31.855 31.700 -0.036 0.000 0.949 705 H N 0.645 119.698 119.070 -0.027 0.000 3.067 705 H HA 0.151 4.706 4.556 -0.001 0.000 0.265 705 H C -0.080 175.214 175.328 -0.057 0.000 1.234 705 H CA -0.235 55.788 56.048 -0.042 0.000 1.452 705 H CB -0.192 29.548 29.762 -0.037 0.000 1.527 705 H HN 0.078 nan 8.280 nan 0.000 0.486 706 V N 7.004 126.897 119.914 -0.035 0.000 2.479 706 V HA 0.036 4.156 4.120 -0.001 0.000 0.281 706 V C -1.857 174.181 176.094 -0.093 0.000 1.031 706 V CA -1.405 60.860 62.300 -0.057 0.000 1.038 706 V CB 0.601 32.380 31.823 -0.075 0.000 0.981 706 V HN 0.530 nan 8.190 nan 0.000 0.478 707 P HA 0.155 nan 4.420 nan 0.000 0.265 707 P C -0.792 176.356 177.300 -0.252 0.000 1.222 707 P CA 0.340 63.289 63.100 -0.252 0.000 0.767 707 P CB 0.396 31.778 31.700 -0.530 0.000 0.801 708 V N 4.430 124.229 119.914 -0.191 0.000 2.559 708 V HA 0.247 4.367 4.120 -0.001 0.000 0.289 708 V C -0.620 175.379 176.094 -0.158 0.000 1.036 708 V CA -0.446 61.728 62.300 -0.209 0.000 0.887 708 V CB 1.346 33.033 31.823 -0.227 0.000 1.022 708 V HN 0.601 nan 8.190 nan 0.000 0.442 709 H N 4.578 123.483 119.070 -0.275 0.000 2.529 709 H HA 0.590 5.146 4.556 -0.001 0.000 0.348 709 H C -1.531 173.663 175.328 -0.224 0.000 1.079 709 H CA -0.681 55.249 56.048 -0.196 0.000 1.198 709 H CB 1.571 31.264 29.762 -0.115 0.000 1.521 709 H HN 0.500 nan 8.280 nan 0.000 0.514 710 F N 3.520 123.195 119.950 -0.458 0.000 2.385 710 F HA 0.323 4.850 4.527 -0.001 0.000 0.336 710 F C 0.278 175.550 175.800 -0.881 0.000 1.100 710 F CA -0.160 57.513 58.000 -0.546 0.000 1.116 710 F CB 1.265 40.060 39.000 -0.341 0.000 1.166 710 F HN 0.357 nan 8.300 nan 0.000 0.511 711 K N 3.260 123.373 120.400 -0.478 0.000 2.523 711 K HA 0.459 4.778 4.320 -0.001 0.000 0.257 711 K C -1.986 174.340 176.600 -0.456 0.000 0.932 711 K CA -0.607 55.443 56.287 -0.395 0.000 0.812 711 K CB 1.474 33.810 32.500 -0.272 0.000 1.326 711 K HN 0.449 nan 8.250 nan 0.000 0.433 712 F N 3.979 123.848 119.950 -0.135 0.000 2.458 712 F HA 0.493 5.020 4.527 -0.001 0.000 0.336 712 F C -0.391 175.364 175.800 -0.076 0.000 1.114 712 F CA -0.590 57.347 58.000 -0.106 0.000 0.987 712 F CB 1.202 40.124 39.000 -0.131 0.000 1.130 712 F HN 0.242 nan 8.300 nan 0.000 0.458 713 L N 2.772 124.040 121.223 0.075 0.000 2.277 713 L HA 0.646 4.986 4.340 -0.001 0.000 0.254 713 L C -1.173 175.690 176.870 -0.012 0.000 1.044 713 L CA -1.008 53.825 54.840 -0.012 0.000 0.842 713 L CB 2.240 44.224 42.059 -0.124 0.000 1.422 713 L HN 0.483 nan 8.230 nan 0.000 0.422 714 K N -0.527 119.820 120.400 -0.088 0.000 2.422 714 K HA 0.647 4.967 4.320 -0.001 0.000 0.251 714 K C -1.821 174.695 176.600 -0.142 0.000 0.933 714 K CA -0.791 55.472 56.287 -0.040 0.000 0.798 714 K CB 1.770 34.288 32.500 0.030 0.000 1.238 714 K HN 0.278 nan 8.250 nan 0.000 0.428 715 Y N 0.482 120.847 120.300 0.108 0.000 2.420 715 Y HA 0.525 5.075 4.550 -0.001 0.000 0.334 715 Y C 0.950 176.909 175.900 0.098 0.000 1.094 715 Y CA -0.202 57.973 58.100 0.125 0.000 1.126 715 Y CB 2.320 40.930 38.460 0.249 0.000 1.217 715 Y HN 0.919 nan 8.280 nan 0.000 0.462 716 G N 0.629 109.571 108.800 0.237 0.000 2.971 716 G HA2 0.623 4.583 3.960 -0.001 0.000 0.235 716 G HA3 0.623 4.583 3.960 -0.001 0.000 0.235 716 G C -1.458 173.513 174.900 0.118 0.000 1.351 716 G CA -0.685 44.498 45.100 0.138 0.000 1.039 716 G HN 0.430 nan 8.290 nan 0.000 0.563 717 V N -0.111 119.837 119.914 0.057 0.000 2.769 717 V HA 0.459 4.578 4.120 -0.001 0.000 0.312 717 V C -0.014 176.060 176.094 -0.034 0.000 1.061 717 V CA -0.844 61.468 62.300 0.019 0.000 0.931 717 V CB 1.949 33.788 31.823 0.026 0.000 1.010 717 V HN 0.684 nan 8.190 nan 0.000 0.433 718 R N 1.361 121.815 120.500 -0.076 0.000 2.590 718 R HA 0.175 4.514 4.340 -0.001 0.000 0.274 718 R C 1.245 177.431 176.300 -0.190 0.000 1.061 718 R CA 0.469 56.471 56.100 -0.163 0.000 1.081 718 R CB 0.561 30.752 30.300 -0.180 0.000 0.984 718 R HN 0.915 nan 8.270 nan 0.000 0.448 719 S N 1.479 116.995 115.700 -0.307 0.000 2.501 719 S HA -0.023 4.447 4.470 -0.001 0.000 0.220 719 S C 0.480 174.979 174.600 -0.168 0.000 0.997 719 S CA 0.057 58.143 58.200 -0.190 0.000 0.919 719 S CB -0.156 62.987 63.200 -0.093 0.000 0.778 719 S HN 0.730 nan 8.310 nan 0.000 0.523 720 H N -0.881 118.192 119.070 0.004 0.000 2.865 720 H HA 0.682 5.238 4.556 -0.001 0.000 0.372 720 H C 0.626 175.954 175.328 -0.001 0.000 1.173 720 H CA -0.584 55.465 56.048 0.002 0.000 1.147 720 H CB 1.074 30.837 29.762 0.001 0.000 1.805 720 H HN 0.425 nan 8.280 nan 0.000 0.553 721 G N 1.298 110.157 108.800 0.099 0.000 2.587 721 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.212 721 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.212 721 G C -1.240 173.663 174.900 0.006 0.000 1.327 721 G CA -0.414 44.716 45.100 0.050 0.000 0.898 721 G HN 0.722 nan 8.290 nan 0.000 0.551 722 D N 0.798 121.195 120.400 -0.004 0.000 2.389 722 D HA 0.530 5.170 4.640 -0.001 0.000 0.247 722 D C 0.913 177.197 176.300 -0.026 0.000 1.128 722 D CA 0.212 54.203 54.000 -0.014 0.000 0.884 722 D CB 0.958 41.749 40.800 -0.015 0.000 1.194 722 D HN 0.451 nan 8.370 nan 0.000 0.441 723 R N 0.554 121.042 120.500 -0.020 0.000 2.428 723 R HA 0.315 4.655 4.340 -0.001 0.000 0.294 723 R C -0.092 176.204 176.300 -0.006 0.000 1.000 723 R CA -0.398 55.694 56.100 -0.014 0.000 0.960 723 R CB 0.921 31.220 30.300 -0.003 0.000 1.076 723 R HN 0.231 nan 8.270 nan 0.000 0.475 724 S N 0.476 116.182 115.700 0.010 0.000 2.568 724 S HA 0.510 4.980 4.470 -0.001 0.000 0.282 724 S C 0.349 174.972 174.600 0.038 0.000 1.338 724 S CA 0.295 58.518 58.200 0.039 0.000 1.045 724 S CB 1.078 64.334 63.200 0.093 0.000 0.873 724 S HN 0.738 nan 8.310 nan 0.000 0.516 725 G N -0.049 108.775 108.800 0.040 0.000 2.911 725 G HA2 0.593 4.553 3.960 -0.001 0.000 0.299 725 G HA3 0.593 4.553 3.960 -0.001 0.000 0.299 725 G C 0.590 175.512 174.900 0.036 0.000 1.283 725 G CA -0.118 45.011 45.100 0.048 0.000 0.805 725 G HN 0.706 nan 8.290 nan 0.000 0.548 726 A N -1.288 121.536 122.820 0.007 0.000 1.978 726 A HA 0.062 4.381 4.320 -0.001 0.000 0.220 726 A C 1.923 179.395 177.584 -0.186 0.000 1.170 726 A CA 1.995 53.968 52.037 -0.107 0.000 0.636 726 A CB -0.631 18.234 19.000 -0.225 0.000 0.810 726 A HN 0.590 nan 8.150 nan 0.000 0.448 727 Y N -0.626 119.606 120.300 -0.114 0.000 2.266 727 Y HA 0.322 4.871 4.550 -0.001 0.000 0.294 727 Y C 0.912 176.703 175.900 -0.180 0.000 1.127 727 Y CA -0.014 57.947 58.100 -0.232 0.000 1.140 727 Y CB -0.292 37.658 38.460 -0.851 0.000 1.071 727 Y HN 0.016 nan 8.280 nan 0.000 0.525 728 L N 0.949 122.138 121.223 -0.057 0.000 2.326 728 L HA 0.158 4.498 4.340 -0.001 0.000 0.278 728 L C -0.784 176.147 176.870 0.102 0.000 1.092 728 L CA -0.177 54.640 54.840 -0.040 0.000 0.810 728 L CB 0.713 42.699 42.059 -0.121 0.000 1.153 728 L HN 0.142 nan 8.230 nan 0.000 0.439 729 F N 5.225 125.124 119.950 -0.086 0.000 2.361 729 F HA 0.474 5.001 4.527 -0.001 0.000 0.364 729 F C -0.587 175.139 175.800 -0.124 0.000 1.117 729 F CA -0.795 57.112 58.000 -0.155 0.000 1.071 729 F CB 0.681 39.518 39.000 -0.271 0.000 1.188 729 F HN 0.327 nan 8.300 nan 0.000 0.464 730 L N 9.041 130.168 121.223 -0.160 0.000 2.556 730 L HA 0.332 4.672 4.340 -0.001 0.000 0.243 730 L C -2.292 174.394 176.870 -0.308 0.000 1.331 730 L CA -1.934 52.755 54.840 -0.253 0.000 0.927 730 L CB 0.857 42.859 42.059 -0.095 0.000 1.219 730 L HN 0.437 nan 8.230 nan 0.000 0.490 731 P HA 0.009 nan 4.420 nan 0.000 0.269 731 P C -0.515 176.696 177.300 -0.149 0.000 1.215 731 P CA -0.214 62.675 63.100 -0.351 0.000 0.780 731 P CB 0.563 31.905 31.700 -0.597 0.000 0.898 732 N N 1.290 119.973 118.700 -0.028 0.000 3.331 732 N HA 0.297 5.037 4.740 -0.001 0.000 0.303 732 N C 0.659 176.175 175.510 0.010 0.000 1.326 732 N CA -0.181 52.852 53.050 -0.030 0.000 1.207 732 N CB -0.788 37.682 38.487 -0.029 0.000 1.477 732 N HN 0.753 nan 8.380 nan 0.000 0.541 733 G N 0.754 109.558 108.800 0.006 0.000 2.655 733 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.680 733 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.680 733 G C -3.040 171.932 174.900 0.119 0.000 1.302 733 G CA -1.136 43.986 45.100 0.037 0.000 0.872 733 G HN 0.367 nan 8.290 nan 0.000 0.540 734 P HA 0.445 nan 4.420 nan 0.000 0.269 734 P C 0.527 177.791 177.300 -0.060 0.000 1.217 734 P CA 0.719 63.881 63.100 0.103 0.000 0.783 734 P CB 0.415 32.139 31.700 0.041 0.000 0.898 735 A N 1.996 124.592 122.820 -0.374 0.000 2.425 735 A HA 0.399 4.719 4.320 -0.001 0.000 0.242 735 A C 0.125 177.551 177.584 -0.263 0.000 1.077 735 A CA 0.297 51.935 52.037 -0.665 0.000 0.781 735 A CB -0.178 18.144 19.000 -1.130 0.000 1.020 735 A HN 0.474 nan 8.150 nan 0.000 0.494 736 S N 2.214 117.801 115.700 -0.189 0.000 2.501 736 S HA 0.585 5.055 4.470 -0.001 0.000 0.301 736 S C -2.724 171.836 174.600 -0.067 0.000 1.096 736 S CA -1.040 57.107 58.200 -0.088 0.000 1.063 736 S CB 1.355 64.527 63.200 -0.048 0.000 1.042 736 S HN 0.562 nan 8.310 nan 0.000 0.494 737 P HA 0.099 nan 4.420 nan 0.000 0.266 737 P C -0.739 176.568 177.300 0.011 0.000 1.195 737 P CA -0.303 62.794 63.100 -0.005 0.000 0.768 737 P CB 0.324 32.032 31.700 0.014 0.000 0.838 738 V N 4.033 123.966 119.914 0.033 0.000 2.572 738 V HA 0.001 4.121 4.120 -0.001 0.000 0.291 738 V C 0.937 177.048 176.094 0.028 0.000 1.039 738 V CA 0.149 62.468 62.300 0.032 0.000 1.055 738 V CB 0.016 31.866 31.823 0.045 0.000 0.969 738 V HN 0.477 nan 8.190 nan 0.000 0.482 739 E N 4.768 124.979 120.200 0.019 0.000 2.217 739 E HA 0.147 4.497 4.350 -0.001 0.000 0.279 739 E C 0.625 177.233 176.600 0.013 0.000 1.068 739 E CA 0.076 56.487 56.400 0.019 0.000 0.882 739 E CB 1.121 30.831 29.700 0.018 0.000 1.039 739 E HN 0.532 nan 8.360 nan 0.000 0.418 740 L N 1.975 123.210 121.223 0.020 0.000 2.446 740 L HA 0.090 4.430 4.340 -0.001 0.000 0.219 740 L C 1.399 178.276 176.870 0.011 0.000 1.116 740 L CA 0.533 55.379 54.840 0.011 0.000 0.844 740 L CB -0.451 41.626 42.059 0.029 0.000 0.970 740 L HN 0.750 nan 8.230 nan 0.000 0.457 741 G N 0.876 109.687 108.800 0.019 0.000 2.552 741 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.265 741 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.265 741 G C -0.101 174.816 174.900 0.027 0.000 1.234 741 G CA -0.220 44.893 45.100 0.021 0.000 0.944 741 G HN 0.385 nan 8.290 nan 0.000 0.568 742 Q N 1.583 121.400 119.800 0.029 0.000 2.644 742 Q HA 0.367 4.706 4.340 -0.001 0.000 0.245 742 Q C -2.183 173.842 176.000 0.042 0.000 1.064 742 Q CA -1.483 54.342 55.803 0.036 0.000 0.860 742 Q CB 1.879 30.637 28.738 0.034 0.000 1.145 742 Q HN 0.604 nan 8.270 nan 0.000 0.515 743 P HA 0.048 nan 4.420 nan 0.000 0.272 743 P C -0.214 177.137 177.300 0.084 0.000 1.223 743 P CA -0.234 62.896 63.100 0.049 0.000 0.784 743 P CB 1.112 32.822 31.700 0.018 0.000 0.923 744 V N 2.637 122.637 119.914 0.143 0.000 2.530 744 V HA 0.121 4.241 4.120 -0.001 0.000 0.282 744 V C 0.554 176.788 176.094 0.233 0.000 1.048 744 V CA -0.208 62.203 62.300 0.185 0.000 0.997 744 V CB 1.306 33.277 31.823 0.247 0.000 0.987 744 V HN 0.276 nan 8.190 nan 0.000 0.477 745 V N 6.391 126.387 119.914 0.136 0.000 2.448 745 V HA 0.473 4.592 4.120 -0.001 0.000 0.295 745 V C -0.446 175.660 176.094 0.020 0.000 1.025 745 V CA -0.631 61.726 62.300 0.095 0.000 0.859 745 V CB 1.702 33.541 31.823 0.026 0.000 0.988 745 V HN 0.673 nan 8.190 nan 0.000 0.431 746 L N 6.712 127.947 121.223 0.020 0.000 2.313 746 L HA 0.755 5.095 4.340 -0.001 0.000 0.283 746 L C -0.655 176.095 176.870 -0.200 0.000 1.013 746 L CA 0.008 54.731 54.840 -0.195 0.000 0.816 746 L CB 1.796 43.645 42.059 -0.351 0.000 1.236 746 L HN 0.435 nan 8.230 nan 0.000 0.419 747 V N 4.034 123.816 119.914 -0.220 0.000 2.384 747 V HA 0.569 4.689 4.120 -0.001 0.000 0.287 747 V C -0.048 175.968 176.094 -0.129 0.000 1.020 747 V CA -0.394 61.801 62.300 -0.175 0.000 0.850 747 V CB 1.593 33.330 31.823 -0.144 0.000 0.987 747 V HN 0.851 nan 8.190 nan 0.000 0.436 748 T N 5.263 119.772 114.554 -0.074 0.000 2.792 748 T HA 0.472 4.821 4.350 -0.001 0.000 0.280 748 T C -0.469 174.256 174.700 0.042 0.000 0.990 748 T CA -0.600 61.513 62.100 0.022 0.000 0.960 748 T CB 1.247 70.169 68.868 0.091 0.000 0.939 748 T HN 0.692 nan 8.240 nan 0.000 0.439 749 K N 2.260 122.703 120.400 0.071 0.000 2.413 749 K HA 0.713 5.032 4.320 -0.001 0.000 0.257 749 K C -0.439 176.219 176.600 0.098 0.000 0.946 749 K CA -0.592 55.738 56.287 0.072 0.000 0.823 749 K CB 1.162 33.696 32.500 0.057 0.000 1.109 749 K HN 0.780 nan 8.250 nan 0.000 0.427 750 G N 2.184 111.038 108.800 0.091 0.000 2.680 750 G HA2 0.217 4.177 3.960 -0.001 0.000 0.290 750 G HA3 0.217 4.177 3.960 -0.001 0.000 0.290 750 G C -0.169 174.774 174.900 0.073 0.000 1.355 750 G CA -0.616 44.538 45.100 0.091 0.000 0.903 750 G HN 0.478 nan 8.290 nan 0.000 0.474 751 K N -0.183 120.255 120.400 0.064 0.000 2.097 751 K HA 0.070 4.390 4.320 -0.001 0.000 0.205 751 K C 2.144 178.779 176.600 0.058 0.000 1.050 751 K CA 0.917 57.238 56.287 0.057 0.000 0.938 751 K CB -0.201 32.328 32.500 0.049 0.000 0.718 751 K HN 0.435 nan 8.250 nan 0.000 0.442 752 L N -0.446 120.812 121.223 0.060 0.000 2.357 752 L HA 0.164 4.504 4.340 -0.001 0.000 0.211 752 L C 0.792 177.698 176.870 0.059 0.000 1.075 752 L CA 0.163 55.039 54.840 0.060 0.000 0.830 752 L CB 0.269 42.366 42.059 0.063 0.000 0.996 752 L HN 0.131 nan 8.230 nan 0.000 0.467 753 E N -0.220 120.020 120.200 0.066 0.000 2.291 753 E HA 0.402 4.752 4.350 -0.001 0.000 0.276 753 E C -1.446 175.199 176.600 0.076 0.000 0.896 753 E CA -0.209 56.232 56.400 0.067 0.000 0.774 753 E CB 2.100 31.839 29.700 0.065 0.000 1.227 753 E HN -0.111 nan 8.360 nan 0.000 0.413 754 S N 1.300 117.042 115.700 0.070 0.000 2.634 754 S HA 0.808 5.278 4.470 -0.001 0.000 0.296 754 S C -1.238 173.389 174.600 0.044 0.000 1.104 754 S CA -0.631 57.606 58.200 0.062 0.000 0.920 754 S CB 1.800 65.037 63.200 0.062 0.000 1.111 754 S HN 0.629 nan 8.310 nan 0.000 0.493 755 S N -0.147 115.554 115.700 0.002 0.000 2.587 755 S HA 0.714 5.183 4.470 -0.001 0.000 0.269 755 S C -1.984 172.523 174.600 -0.156 0.000 1.154 755 S CA -0.676 57.499 58.200 -0.041 0.000 0.824 755 S CB 0.977 64.176 63.200 -0.001 0.000 1.118 755 S HN 0.486 nan 8.310 nan 0.000 0.462 756 V N 2.066 121.824 119.914 -0.260 0.000 2.483 756 V HA 0.738 4.857 4.120 -0.001 0.000 0.297 756 V C -0.514 175.432 176.094 -0.246 0.000 1.027 756 V CA -0.428 61.637 62.300 -0.392 0.000 0.855 756 V CB 1.658 32.909 31.823 -0.954 0.000 0.995 756 V HN 0.975 nan 8.190 nan 0.000 0.424 757 S N 3.191 118.803 115.700 -0.147 0.000 2.513 757 S HA 0.808 5.278 4.470 -0.001 0.000 0.299 757 S C -0.829 173.685 174.600 -0.142 0.000 1.087 757 S CA -0.650 57.468 58.200 -0.137 0.000 1.012 757 S CB 2.162 65.385 63.200 0.039 0.000 1.044 757 S HN 0.698 nan 8.310 nan 0.000 0.485 758 V N 1.895 121.597 119.914 -0.354 0.000 2.808 758 V HA 0.816 4.935 4.120 -0.001 0.000 0.308 758 V C -0.140 175.569 176.094 -0.642 0.000 1.099 758 V CA -0.415 61.697 62.300 -0.314 0.000 0.920 758 V CB 1.806 33.586 31.823 -0.071 0.000 1.014 758 V HN 0.995 nan 8.190 nan 0.000 0.425 759 G N 6.950 115.393 108.800 -0.595 0.000 2.546 759 G HA2 0.550 4.509 3.960 -0.001 0.000 0.320 759 G HA3 0.550 4.509 3.960 -0.001 0.000 0.320 759 G C -0.586 174.165 174.900 -0.248 0.000 0.984 759 G CA -0.350 44.444 45.100 -0.510 0.000 1.183 759 G HN 0.721 nan 8.290 nan 0.000 0.443 760 L N 2.741 123.781 121.223 -0.305 0.000 2.400 760 L HA 0.435 4.775 4.340 -0.001 0.000 0.264 760 L C -2.094 174.632 176.870 -0.240 0.000 1.061 760 L CA -2.395 52.297 54.840 -0.248 0.000 0.799 760 L CB 1.947 43.798 42.059 -0.347 0.000 1.240 760 L HN 0.206 nan 8.230 nan 0.000 0.461 761 P HA 0.125 nan 4.420 nan 0.000 0.271 761 P C 0.018 177.223 177.300 -0.160 0.000 1.226 761 P CA 0.291 63.304 63.100 -0.146 0.000 0.765 761 P CB 1.139 32.792 31.700 -0.079 0.000 0.835 762 S N -0.291 115.330 115.700 -0.131 0.000 2.769 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.264 762 S C 0.210 174.703 174.600 -0.179 0.000 1.288 762 S CA 1.318 59.452 58.200 -0.110 0.000 1.378 762 S CB -1.478 61.681 63.200 -0.069 0.000 1.702 762 S HN 0.402 nan 8.310 nan 0.000 0.656 763 V N 1.226 120.969 119.914 -0.286 0.000 2.711 763 V HA 0.471 4.591 4.120 -0.001 0.000 0.304 763 V C -0.310 175.541 176.094 -0.405 0.000 1.097 763 V CA -0.781 61.301 62.300 -0.363 0.000 0.906 763 V CB 2.150 33.593 31.823 -0.634 0.000 1.015 763 V HN 0.085 nan 8.190 nan 0.000 0.427 764 V N 4.037 123.723 119.914 -0.380 0.000 2.348 764 V HA 0.334 4.453 4.120 -0.001 0.000 0.270 764 V C -0.217 175.646 176.094 -0.385 0.000 1.037 764 V CA -0.419 61.546 62.300 -0.558 0.000 0.872 764 V CB 0.880 32.262 31.823 -0.736 0.000 1.002 764 V HN 0.932 nan 8.190 nan 0.000 0.464 765 H N 4.515 123.307 119.070 -0.463 0.000 2.517 765 H HA 0.576 5.132 4.556 -0.001 0.000 0.317 765 H C -0.341 174.850 175.328 -0.227 0.000 1.080 765 H CA -0.078 55.801 56.048 -0.281 0.000 1.301 765 H CB 1.078 30.705 29.762 -0.226 0.000 1.425 765 H HN 0.690 nan 8.280 nan 0.000 0.471 766 Q N 3.837 123.334 119.800 -0.506 0.000 2.356 766 Q HA 0.410 4.750 4.340 -0.001 0.000 0.270 766 Q C -1.314 174.470 176.000 -0.360 0.000 1.058 766 Q CA -0.931 54.649 55.803 -0.373 0.000 0.802 766 Q CB 1.653 30.282 28.738 -0.182 0.000 1.303 766 Q HN 0.739 nan 8.270 nan 0.000 0.444 767 T N 4.790 119.221 114.554 -0.205 0.000 2.791 767 T HA 0.518 4.868 4.350 -0.001 0.000 0.288 767 T C -0.435 174.292 174.700 0.046 0.000 0.999 767 T CA -0.346 61.753 62.100 -0.002 0.000 0.952 767 T CB 0.249 69.294 68.868 0.296 0.000 0.938 767 T HN 0.457 nan 8.240 nan 0.000 0.444 768 I N 3.822 124.432 120.570 0.066 0.000 2.404 768 I HA 0.506 4.676 4.170 -0.001 0.000 0.293 768 I C -0.237 175.936 176.117 0.093 0.000 0.992 768 I CA -0.817 60.522 61.300 0.066 0.000 1.149 768 I CB 1.704 39.732 38.000 0.047 0.000 1.315 768 I HN 0.386 nan 8.210 nan 0.000 0.446 769 M N 5.878 125.533 119.600 0.092 0.000 2.321 769 M HA 0.499 4.979 4.480 -0.001 0.000 0.315 769 M C 0.216 176.559 176.300 0.073 0.000 1.052 769 M CA -0.330 55.026 55.300 0.094 0.000 0.936 769 M CB 2.287 34.958 32.600 0.118 0.000 1.639 769 M HN 0.465 nan 8.290 nan 0.000 0.433 770 R N 1.153 121.691 120.500 0.063 0.000 2.566 770 R HA 0.363 4.703 4.340 -0.001 0.000 0.388 770 R C 0.741 177.070 176.300 0.049 0.000 0.989 770 R CA 0.290 56.421 56.100 0.051 0.000 1.164 770 R CB 1.222 31.545 30.300 0.039 0.000 1.459 770 R HN 1.155 nan 8.270 nan 0.000 0.553 771 G N -0.171 108.660 108.800 0.052 0.000 2.284 771 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.201 771 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.201 771 G C 0.331 175.254 174.900 0.039 0.000 0.998 771 G CA -0.346 44.781 45.100 0.045 0.000 0.651 771 G HN 0.512 nan 8.290 nan 0.000 0.489 772 G N 0.105 108.929 108.800 0.040 0.000 3.264 772 G HA2 0.784 4.744 3.960 -0.001 0.000 0.168 772 G HA3 0.784 4.744 3.960 -0.001 0.000 0.168 772 G C 0.450 175.373 174.900 0.038 0.000 1.145 772 G CA 0.491 45.611 45.100 0.032 0.000 0.855 772 G HN 1.505 nan 8.290 nan 0.000 0.629 773 A N 1.440 124.280 122.820 0.034 0.000 2.511 773 A HA 0.540 4.860 4.320 -0.001 0.000 0.242 773 A C -1.807 175.817 177.584 0.067 0.000 1.069 773 A CA -0.544 51.518 52.037 0.043 0.000 0.763 773 A CB -0.352 18.671 19.000 0.038 0.000 1.001 773 A HN 0.385 nan 8.150 nan 0.000 0.498 774 P HA 0.136 nan 4.420 nan 0.000 0.272 774 P C -0.500 176.875 177.300 0.125 0.000 1.230 774 P CA -0.176 62.993 63.100 0.115 0.000 0.788 774 P CB 0.683 32.474 31.700 0.153 0.000 0.949 775 E N 1.462 121.732 120.200 0.115 0.000 2.191 775 E HA 0.400 4.749 4.350 -0.001 0.000 0.278 775 E C -0.857 175.821 176.600 0.130 0.000 0.972 775 E CA -0.712 55.760 56.400 0.120 0.000 0.804 775 E CB 0.609 30.355 29.700 0.078 0.000 1.110 775 E HN 0.212 nan 8.360 nan 0.000 0.394 776 I N 4.090 124.772 120.570 0.187 0.000 2.433 776 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 776 I C -0.072 176.171 176.117 0.211 0.000 1.001 776 I CA -0.646 60.737 61.300 0.138 0.000 1.119 776 I CB 1.384 39.469 38.000 0.142 0.000 1.289 776 I HN 0.587 nan 8.210 nan 0.000 0.438 777 R N 4.586 125.132 120.500 0.077 0.000 2.561 777 R HA 0.508 4.848 4.340 -0.001 0.000 0.297 777 R C -0.977 175.370 176.300 0.078 0.000 0.969 777 R CA -0.884 55.279 56.100 0.105 0.000 0.879 777 R CB 2.169 32.485 30.300 0.027 0.000 1.178 777 R HN 0.460 nan 8.270 nan 0.000 0.445 778 N N 2.564 121.371 118.700 0.179 0.000 2.407 778 N HA 0.199 4.938 4.740 -0.001 0.000 0.277 778 N C -1.270 174.243 175.510 0.005 0.000 0.995 778 N CA -0.703 52.422 53.050 0.125 0.000 0.903 778 N CB 1.968 40.633 38.487 0.297 0.000 1.218 778 N HN 0.333 nan 8.380 nan 0.000 0.487 779 L N 3.714 124.881 121.223 -0.094 0.000 2.282 779 L HA 0.388 4.727 4.340 -0.001 0.000 0.287 779 L C -1.036 175.756 176.870 -0.131 0.000 1.075 779 L CA -0.489 54.280 54.840 -0.119 0.000 0.839 779 L CB 0.463 42.442 42.059 -0.134 0.000 1.219 779 L HN 0.201 nan 8.230 nan 0.000 0.434 780 V N 4.645 124.481 119.914 -0.129 0.000 2.364 780 V HA 0.380 4.500 4.120 -0.001 0.000 0.272 780 V C -0.415 175.639 176.094 -0.068 0.000 1.036 780 V CA -0.439 61.803 62.300 -0.098 0.000 0.880 780 V CB 1.224 33.006 31.823 -0.068 0.000 0.991 780 V HN 0.705 nan 8.190 nan 0.000 0.460 781 D N 4.103 124.472 120.400 -0.052 0.000 2.375 781 D HA 0.255 4.894 4.640 -0.001 0.000 0.259 781 D C 0.488 176.787 176.300 -0.002 0.000 1.235 781 D CA -0.398 53.590 54.000 -0.021 0.000 0.924 781 D CB 1.308 42.098 40.800 -0.016 0.000 1.143 781 D HN 0.469 nan 8.370 nan 0.000 0.529 782 I N 2.312 122.893 120.570 0.017 0.000 3.334 782 I HA 0.055 4.225 4.170 -0.001 0.000 0.282 782 I C 1.473 177.611 176.117 0.036 0.000 1.313 782 I CA 0.944 62.263 61.300 0.032 0.000 1.396 782 I CB -0.253 37.779 38.000 0.054 0.000 1.054 782 I HN 0.599 nan 8.210 nan 0.000 0.495 783 G N 1.127 109.946 108.800 0.032 0.000 2.698 783 G HA2 -0.493 3.467 3.960 -0.001 0.000 0.337 783 G HA3 -0.493 3.467 3.960 -0.001 0.000 0.337 783 G C 0.678 175.598 174.900 0.033 0.000 1.286 783 G CA 0.722 45.842 45.100 0.035 0.000 1.000 783 G HN 0.705 nan 8.290 nan 0.000 0.547 784 S N -0.093 115.628 115.700 0.034 0.000 2.561 784 S HA 0.552 5.022 4.470 -0.001 0.000 0.245 784 S C 0.680 175.301 174.600 0.036 0.000 1.001 784 S CA -0.042 58.177 58.200 0.031 0.000 1.002 784 S CB -0.041 63.173 63.200 0.023 0.000 0.805 784 S HN 0.650 nan 8.310 nan 0.000 0.458 785 L N 2.932 124.180 121.223 0.041 0.000 2.536 785 L HA 0.295 4.635 4.340 -0.001 0.000 0.282 785 L C -0.278 176.620 176.870 0.047 0.000 1.174 785 L CA -0.348 54.518 54.840 0.043 0.000 0.989 785 L CB -0.464 41.623 42.059 0.046 0.000 1.311 785 L HN 0.185 nan 8.230 nan 0.000 0.455 786 D N 2.915 123.340 120.400 0.042 0.000 2.382 786 D HA 0.010 4.650 4.640 -0.001 0.000 0.240 786 D C 0.684 177.014 176.300 0.050 0.000 1.146 786 D CA 0.150 54.176 54.000 0.044 0.000 0.897 786 D CB 0.362 41.184 40.800 0.036 0.000 1.197 786 D HN 0.323 nan 8.370 nan 0.000 0.432 787 N N 0.397 119.130 118.700 0.054 0.000 2.714 787 N HA -0.178 4.562 4.740 -0.001 0.000 0.252 787 N C -0.937 174.621 175.510 0.080 0.000 1.014 787 N CA 0.864 53.952 53.050 0.062 0.000 0.735 787 N CB -1.121 37.395 38.487 0.048 0.000 0.924 787 N HN 0.281 nan 8.380 nan 0.000 0.540 788 T N 0.454 115.061 114.554 0.088 0.000 2.886 788 T HA 0.426 4.776 4.350 -0.001 0.000 0.292 788 T C -0.211 174.565 174.700 0.126 0.000 1.012 788 T CA -0.703 61.461 62.100 0.107 0.000 0.982 788 T CB 2.303 71.221 68.868 0.083 0.000 1.018 788 T HN 0.022 nan 8.240 nan 0.000 0.451 789 E N 2.439 122.746 120.200 0.177 0.000 2.191 789 E HA 0.420 4.770 4.350 -0.001 0.000 0.263 789 E C -0.741 175.987 176.600 0.214 0.000 0.881 789 E CA -0.605 55.901 56.400 0.176 0.000 0.757 789 E CB 2.242 32.033 29.700 0.152 0.000 1.147 789 E HN 0.495 nan 8.360 nan 0.000 0.414 790 I N 2.888 123.565 120.570 0.179 0.000 2.342 790 I HA 0.208 4.377 4.170 -0.001 0.000 0.291 790 I C -0.169 176.092 176.117 0.240 0.000 1.010 790 I CA -0.675 60.742 61.300 0.194 0.000 1.308 790 I CB 1.256 39.358 38.000 0.169 0.000 1.400 790 I HN 0.194 nan 8.210 nan 0.000 0.488 791 V N 8.174 128.231 119.914 0.238 0.000 2.628 791 V HA 0.524 4.644 4.120 -0.001 0.000 0.306 791 V C -0.522 175.620 176.094 0.080 0.000 1.045 791 V CA -0.745 61.683 62.300 0.214 0.000 0.905 791 V CB 2.024 34.030 31.823 0.305 0.000 0.997 791 V HN 0.762 nan 8.190 nan 0.000 0.436 792 M N 7.254 126.829 119.600 -0.043 0.000 2.149 792 M HA 0.589 5.068 4.480 -0.001 0.000 0.342 792 M C -0.655 175.494 176.300 -0.251 0.000 1.068 792 M CA -0.473 54.561 55.300 -0.444 0.000 0.991 792 M CB 0.736 33.062 32.600 -0.455 0.000 1.596 792 M HN 0.772 nan 8.290 nan 0.000 0.439 793 R N 4.599 124.929 120.500 -0.284 0.000 2.711 793 R HA 0.731 5.070 4.340 -0.001 0.000 0.284 793 R C -1.976 174.206 176.300 -0.196 0.000 0.968 793 R CA -0.633 55.365 56.100 -0.171 0.000 0.924 793 R CB 1.563 31.785 30.300 -0.129 0.000 1.162 793 R HN 0.826 nan 8.270 nan 0.000 0.465 794 L N 3.066 124.163 121.223 -0.209 0.000 2.313 794 L HA 0.432 4.771 4.340 -0.001 0.000 0.283 794 L C -0.566 176.184 176.870 -0.200 0.000 1.013 794 L CA -0.452 54.196 54.840 -0.319 0.000 0.816 794 L CB 2.007 43.837 42.059 -0.382 0.000 1.236 794 L HN 0.616 nan 8.230 nan 0.000 0.419 795 E N 2.212 122.308 120.200 -0.172 0.000 2.145 795 E HA 0.500 4.850 4.350 -0.001 0.000 0.270 795 E C -0.637 175.904 176.600 -0.100 0.000 0.906 795 E CA -0.462 55.893 56.400 -0.075 0.000 0.761 795 E CB 2.132 31.834 29.700 0.004 0.000 1.116 795 E HN 0.626 nan 8.360 nan 0.000 0.408 796 T N -1.063 113.451 114.554 -0.066 0.000 2.804 796 T HA 0.344 4.694 4.350 -0.001 0.000 0.290 796 T C 0.098 174.832 174.700 0.057 0.000 1.099 796 T CA -0.722 61.306 62.100 -0.119 0.000 1.011 796 T CB 1.058 69.873 68.868 -0.088 0.000 1.291 796 T HN 0.582 nan 8.240 nan 0.000 0.523 797 H N -0.634 118.424 119.070 -0.019 0.000 2.528 797 H HA 0.421 4.977 4.556 -0.001 0.000 0.282 797 H C 0.115 175.441 175.328 -0.003 0.000 1.097 797 H CA -0.635 55.407 56.048 -0.010 0.000 1.121 797 H CB 0.112 29.869 29.762 -0.009 0.000 1.590 797 H HN 0.325 nan 8.280 nan 0.000 0.553 798 I N 1.827 122.456 120.570 0.099 0.000 2.683 798 I HA -0.131 4.039 4.170 -0.001 0.000 0.286 798 I C 0.562 176.722 176.117 0.071 0.000 1.175 798 I CA 0.369 61.709 61.300 0.067 0.000 1.429 798 I CB 0.440 38.470 38.000 0.050 0.000 1.371 798 I HN 0.216 nan 8.210 nan 0.000 0.569 799 D N 4.672 125.109 120.400 0.062 0.000 2.619 799 D HA 0.048 4.687 4.640 -0.001 0.000 0.224 799 D C 1.150 177.490 176.300 0.066 0.000 1.133 799 D CA -0.103 53.930 54.000 0.055 0.000 1.017 799 D CB 0.365 41.190 40.800 0.043 0.000 1.077 799 D HN 0.541 nan 8.370 nan 0.000 0.503 800 S N 0.438 116.184 115.700 0.076 0.000 2.501 800 S HA 0.268 4.738 4.470 -0.001 0.000 0.220 800 S C 1.588 176.242 174.600 0.089 0.000 0.997 800 S CA 0.233 58.493 58.200 0.101 0.000 0.919 800 S CB -0.125 63.148 63.200 0.121 0.000 0.778 800 S HN 0.537 nan 8.310 nan 0.000 0.523 801 G N 3.268 112.108 108.800 0.067 0.000 2.565 801 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.295 801 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.295 801 G C 0.117 175.058 174.900 0.069 0.000 1.165 801 G CA 0.575 45.709 45.100 0.058 0.000 0.977 801 G HN 0.754 nan 8.290 nan 0.000 0.546 802 D N 0.205 120.650 120.400 0.075 0.000 2.462 802 D HA 0.350 4.989 4.640 -0.001 0.000 0.221 802 D C 0.649 177.035 176.300 0.144 0.000 1.173 802 D CA -0.234 53.828 54.000 0.104 0.000 0.831 802 D CB 0.247 41.093 40.800 0.077 0.000 1.001 802 D HN 0.435 nan 8.370 nan 0.000 0.499 803 I N 1.497 122.137 120.570 0.117 0.000 2.392 803 I HA 0.500 4.670 4.170 -0.001 0.000 0.295 803 I C -0.082 176.130 176.117 0.158 0.000 0.985 803 I CA -1.124 60.196 61.300 0.032 0.000 1.221 803 I CB 0.575 38.561 38.000 -0.024 0.000 1.366 803 I HN 0.012 nan 8.210 nan 0.000 0.467 804 F N 4.269 124.043 119.950 -0.292 0.000 2.711 804 F HA 0.687 5.214 4.527 -0.001 0.000 0.313 804 F C -2.061 173.411 175.800 -0.546 0.000 1.141 804 F CA -1.167 56.692 58.000 -0.235 0.000 0.941 804 F CB 1.547 40.477 39.000 -0.118 0.000 1.349 804 F HN 0.168 nan 8.300 nan 0.000 0.464 805 Y N 0.158 120.206 120.300 -0.421 0.000 2.462 805 Y HA 0.690 5.240 4.550 -0.001 0.000 0.346 805 Y C -0.021 175.701 175.900 -0.297 0.000 0.976 805 Y CA -0.772 56.953 58.100 -0.624 0.000 1.044 805 Y CB 2.453 40.162 38.460 -1.253 0.000 1.230 805 Y HN 0.866 nan 8.280 nan 0.000 0.455 806 T N -1.508 112.974 114.554 -0.121 0.000 2.906 806 T HA 0.513 4.862 4.350 -0.001 0.000 0.295 806 T C -1.067 173.453 174.700 -0.300 0.000 1.075 806 T CA -1.073 60.981 62.100 -0.075 0.000 1.005 806 T CB 2.054 70.849 68.868 -0.122 0.000 1.136 806 T HN 0.562 nan 8.240 nan 0.000 0.498 807 D N 0.921 120.988 120.400 -0.555 0.000 2.340 807 D HA 0.395 5.035 4.640 -0.001 0.000 0.251 807 D C -0.595 175.431 176.300 -0.457 0.000 1.080 807 D CA -0.858 52.605 54.000 -0.895 0.000 0.971 807 D CB 1.198 41.227 40.800 -1.285 0.000 1.137 807 D HN 0.551 nan 8.370 nan 0.000 0.475 808 L N 0.745 121.743 121.223 -0.374 0.000 2.316 808 L HA 0.217 4.557 4.340 -0.001 0.000 0.280 808 L C -0.175 176.574 176.870 -0.202 0.000 1.006 808 L CA -0.792 53.925 54.840 -0.206 0.000 0.836 808 L CB 0.458 42.460 42.059 -0.094 0.000 1.221 808 L HN 0.435 nan 8.230 nan 0.000 0.418 809 N N 2.124 120.712 118.700 -0.187 0.000 2.708 809 N HA -0.227 4.512 4.740 -0.001 0.000 0.249 809 N C 0.965 176.259 175.510 -0.360 0.000 1.097 809 N CA 0.888 53.824 53.050 -0.191 0.000 0.710 809 N CB -1.089 37.370 38.487 -0.047 0.000 1.032 809 N HN 1.073 nan 8.380 nan 0.000 0.551 810 G N -1.452 107.129 108.800 -0.365 0.000 2.203 810 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.263 810 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.263 810 G C 0.627 175.492 174.900 -0.058 0.000 1.012 810 G CA 0.724 45.630 45.100 -0.323 0.000 0.749 810 G HN 0.516 nan 8.290 nan 0.000 0.512 811 L N -0.767 120.372 121.223 -0.140 0.000 2.500 811 L HA 0.490 4.829 4.340 -0.001 0.000 0.219 811 L C 0.978 177.729 176.870 -0.197 0.000 1.057 811 L CA 1.860 56.542 54.840 -0.263 0.000 0.854 811 L CB 0.158 41.919 42.059 -0.498 0.000 1.078 811 L HN 0.705 nan 8.230 nan 0.000 0.480 812 Q N -1.982 117.704 119.800 -0.191 0.000 2.575 812 Q HA 0.347 4.687 4.340 -0.001 0.000 0.290 812 Q C -1.667 174.202 176.000 -0.219 0.000 0.963 812 Q CA -0.772 54.981 55.803 -0.083 0.000 0.783 812 Q CB 1.045 29.786 28.738 0.004 0.000 1.467 812 Q HN -0.052 nan 8.270 nan 0.000 0.402 813 F N 1.021 120.918 119.950 -0.088 0.000 2.458 813 F HA 0.647 5.173 4.527 -0.001 0.000 0.336 813 F C -0.247 175.513 175.800 -0.067 0.000 1.114 813 F CA -0.851 57.114 58.000 -0.059 0.000 0.987 813 F CB 1.851 40.859 39.000 0.014 0.000 1.130 813 F HN 0.546 nan 8.300 nan 0.000 0.458 814 I N 3.382 123.955 120.570 0.004 0.000 2.530 814 I HA 0.372 4.541 4.170 -0.001 0.000 0.297 814 I C -0.686 175.291 176.117 -0.233 0.000 1.011 814 I CA -0.878 60.376 61.300 -0.077 0.000 1.107 814 I CB 1.463 39.362 38.000 -0.169 0.000 1.285 814 I HN 0.518 nan 8.210 nan 0.000 0.436 815 K N 6.482 126.695 120.400 -0.312 0.000 2.368 815 K HA 0.303 4.622 4.320 -0.001 0.000 0.282 815 K C -0.865 175.264 176.600 -0.786 0.000 1.035 815 K CA -0.410 55.394 56.287 -0.806 0.000 0.973 815 K CB 0.546 32.706 32.500 -0.566 0.000 0.957 815 K HN 0.505 nan 8.250 nan 0.000 0.474 816 R N 3.137 122.988 120.500 -1.081 0.000 2.664 816 R HA 0.365 4.705 4.340 -0.001 0.000 0.286 816 R C -0.537 175.262 176.300 -0.836 0.000 0.967 816 R CA -0.782 54.623 56.100 -1.158 0.000 0.933 816 R CB 1.556 30.597 30.300 -2.099 0.000 1.146 816 R HN 0.693 nan 8.270 nan 0.000 0.468 817 R N 1.468 121.701 120.500 -0.445 0.000 2.502 817 R HA 0.300 4.640 4.340 -0.001 0.000 0.300 817 R C -0.608 175.742 176.300 0.083 0.000 0.984 817 R CA -0.667 55.346 56.100 -0.146 0.000 0.882 817 R CB 1.577 31.828 30.300 -0.083 0.000 1.180 817 R HN 0.538 nan 8.270 nan 0.000 0.444 818 R N 4.952 125.608 120.500 0.259 0.000 2.449 818 R HA 0.117 4.456 4.340 -0.001 0.000 0.296 818 R C -0.897 175.489 176.300 0.143 0.000 1.047 818 R CA 0.200 56.481 56.100 0.303 0.000 1.018 818 R CB 0.376 30.824 30.300 0.247 0.000 0.962 818 R HN 0.544 nan 8.270 nan 0.000 0.428 819 L N 5.340 126.624 121.223 0.101 0.000 2.318 819 L HA 0.206 4.545 4.340 -0.001 0.000 0.277 819 L C 0.286 177.142 176.870 -0.025 0.000 1.008 819 L CA -0.658 54.192 54.840 0.017 0.000 0.846 819 L CB 1.852 43.886 42.059 -0.042 0.000 1.220 819 L HN 0.655 nan 8.230 nan 0.000 0.423 820 D N 1.756 122.151 120.400 -0.008 0.000 2.350 820 D HA -0.136 4.503 4.640 -0.001 0.000 0.216 820 D C 1.723 178.000 176.300 -0.039 0.000 0.968 820 D CA 0.868 54.858 54.000 -0.017 0.000 0.894 820 D CB 0.327 41.128 40.800 0.001 0.000 0.909 820 D HN 0.563 nan 8.370 nan 0.000 0.520 821 K N 0.316 120.683 120.400 -0.055 0.000 2.486 821 K HA 0.006 4.325 4.320 -0.001 0.000 0.194 821 K C 0.666 177.197 176.600 -0.116 0.000 1.033 821 K CA 0.324 56.575 56.287 -0.059 0.000 1.004 821 K CB 0.257 32.734 32.500 -0.038 0.000 0.798 821 K HN 0.113 nan 8.250 nan 0.000 0.495 822 L N 2.371 123.486 121.223 -0.179 0.000 2.330 822 L HA 0.453 4.793 4.340 -0.001 0.000 0.271 822 L C -2.210 174.544 176.870 -0.193 0.000 1.013 822 L CA -2.942 51.751 54.840 -0.245 0.000 0.816 822 L CB 1.381 43.190 42.059 -0.417 0.000 1.287 822 L HN -0.048 nan 8.230 nan 0.000 0.435 823 P HA 0.004 nan 4.420 nan 0.000 0.272 823 P C 0.871 178.032 177.300 -0.232 0.000 1.230 823 P CA -0.325 62.667 63.100 -0.180 0.000 0.788 823 P CB 1.275 32.895 31.700 -0.134 0.000 0.949 824 L N 1.120 122.240 121.223 -0.171 0.000 2.021 824 L HA -0.286 4.054 4.340 -0.001 0.000 0.215 824 L C 2.547 179.322 176.870 -0.158 0.000 1.074 824 L CA 1.947 56.709 54.840 -0.129 0.000 0.760 824 L CB -0.625 41.354 42.059 -0.134 0.000 0.889 824 L HN 0.443 nan 8.230 nan 0.000 0.433 825 Q N -0.419 119.177 119.800 -0.340 0.000 2.291 825 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 825 Q C 1.876 177.792 176.000 -0.141 0.000 0.976 825 Q CA 1.508 57.161 55.803 -0.250 0.000 0.875 825 Q CB -0.514 28.016 28.738 -0.346 0.000 0.927 825 Q HN 0.614 nan 8.270 nan 0.000 0.450 826 A N 1.445 123.958 122.820 -0.511 0.000 2.067 826 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 826 A C 1.653 179.059 177.584 -0.297 0.000 1.156 826 A CA 0.675 52.257 52.037 -0.758 0.000 0.683 826 A CB -0.150 17.927 19.000 -1.538 0.000 0.808 826 A HN 0.327 nan 8.150 nan 0.000 0.455 827 N N -1.116 117.511 118.700 -0.122 0.000 2.398 827 N HA 0.049 4.788 4.740 -0.001 0.000 0.188 827 N C -0.839 174.727 175.510 0.094 0.000 1.122 827 N CA 0.213 53.294 53.050 0.053 0.000 0.866 827 N CB 0.045 38.620 38.487 0.146 0.000 0.970 827 N HN 0.450 nan 8.380 nan 0.000 0.462 828 Y N 0.295 120.528 120.300 -0.112 0.000 2.304 828 Y HA 0.198 4.748 4.550 -0.001 0.000 0.328 828 Y C -0.147 175.654 175.900 -0.165 0.000 1.123 828 Y CA -0.169 57.945 58.100 0.023 0.000 1.218 828 Y CB 0.357 38.917 38.460 0.168 0.000 1.207 828 Y HN -0.065 nan 8.280 nan 0.000 0.495 829 Y N 3.360 123.800 120.300 0.233 0.000 2.605 829 Y HA 0.454 5.004 4.550 -0.001 0.000 0.343 829 Y C -2.278 173.323 175.900 -0.498 0.000 1.036 829 Y CA -2.881 55.210 58.100 -0.014 0.000 1.065 829 Y CB 1.549 39.992 38.460 -0.028 0.000 1.288 829 Y HN 0.452 nan 8.280 nan 0.000 0.481 830 P HA 0.114 nan 4.420 nan 0.000 0.271 830 P C -0.732 176.321 177.300 -0.411 0.000 1.216 830 P CA 0.260 62.746 63.100 -1.025 0.000 0.771 830 P CB 0.496 31.535 31.700 -1.101 0.000 0.864 831 I N 5.670 126.081 120.570 -0.264 0.000 2.778 831 I HA 0.164 4.334 4.170 -0.001 0.000 0.285 831 I C -1.605 174.441 176.117 -0.117 0.000 1.236 831 I CA -2.556 58.668 61.300 -0.127 0.000 1.089 831 I CB 0.768 38.749 38.000 -0.030 0.000 1.601 831 I HN 0.215 nan 8.210 nan 0.000 0.573 832 P HA -0.074 nan 4.420 nan 0.000 0.219 832 P C 0.978 178.248 177.300 -0.050 0.000 1.150 832 P CA 1.278 64.306 63.100 -0.119 0.000 0.814 832 P CB 0.611 32.211 31.700 -0.167 0.000 0.787 833 S N -3.471 112.203 115.700 -0.042 0.000 2.615 833 S HA 0.458 4.927 4.470 -0.001 0.000 0.277 833 S C 0.571 175.259 174.600 0.148 0.000 1.068 833 S CA 0.278 58.512 58.200 0.055 0.000 1.315 833 S CB 0.378 63.633 63.200 0.092 0.000 1.193 833 S HN 0.339 nan 8.310 nan 0.000 0.656 834 G N 1.588 110.480 108.800 0.154 0.000 2.489 834 G HA2 0.572 4.532 3.960 -0.001 0.000 0.291 834 G HA3 0.572 4.532 3.960 -0.001 0.000 0.291 834 G C -1.456 173.693 174.900 0.416 0.000 1.487 834 G CA -0.469 44.845 45.100 0.356 0.000 0.795 834 G HN 0.856 nan 8.290 nan 0.000 0.513 835 M N -0.491 119.372 119.600 0.437 0.000 2.520 835 M HA 0.892 5.371 4.480 -0.001 0.000 0.280 835 M C -1.769 174.773 176.300 0.404 0.000 1.232 835 M CA -1.014 54.506 55.300 0.368 0.000 0.892 835 M CB 2.549 35.276 32.600 0.212 0.000 1.728 835 M HN 1.203 nan 8.290 nan 0.000 0.475 836 F N 0.890 120.986 119.950 0.243 0.000 2.713 836 F HA 0.902 5.429 4.527 -0.001 0.000 0.311 836 F C -1.869 174.067 175.800 0.226 0.000 1.141 836 F CA -1.198 56.885 58.000 0.139 0.000 0.939 836 F CB 1.091 40.087 39.000 -0.006 0.000 1.325 836 F HN 0.787 nan 8.300 nan 0.000 0.453 837 I N -0.215 120.597 120.570 0.404 0.000 2.785 837 I HA 0.892 5.061 4.170 -0.001 0.000 0.302 837 I C -1.411 174.900 176.117 0.323 0.000 1.069 837 I CA -0.894 60.603 61.300 0.329 0.000 1.045 837 I CB 2.412 40.522 38.000 0.183 0.000 1.236 837 I HN 0.955 nan 8.210 nan 0.000 0.429 838 E N 1.996 122.366 120.200 0.283 0.000 2.423 838 E HA 0.524 4.874 4.350 -0.001 0.000 0.280 838 E C -2.043 174.641 176.600 0.140 0.000 1.030 838 E CA -0.824 55.684 56.400 0.179 0.000 0.812 838 E CB 2.195 31.994 29.700 0.165 0.000 1.313 838 E HN 0.728 nan 8.360 nan 0.000 0.456 839 D N 0.762 121.213 120.400 0.086 0.000 2.720 839 D HA 0.461 5.101 4.640 -0.001 0.000 0.232 839 D C 0.921 177.252 176.300 0.052 0.000 1.173 839 D CA -0.136 53.908 54.000 0.073 0.000 1.082 839 D CB -0.259 40.575 40.800 0.057 0.000 1.235 839 D HN 0.444 nan 8.370 nan 0.000 0.636 840 A N -0.859 121.984 122.820 0.038 0.000 2.015 840 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 840 A C 1.498 179.087 177.584 0.008 0.000 1.163 840 A CA 1.314 53.366 52.037 0.024 0.000 0.646 840 A CB -0.671 18.341 19.000 0.020 0.000 0.806 840 A HN 0.481 nan 8.150 nan 0.000 0.448 841 N N -1.519 117.184 118.700 0.006 0.000 2.397 841 N HA 0.066 4.806 4.740 -0.001 0.000 0.190 841 N C -0.403 175.095 175.510 -0.019 0.000 1.099 841 N CA 0.755 53.800 53.050 -0.008 0.000 0.876 841 N CB 0.608 39.092 38.487 -0.005 0.000 1.143 841 N HN 0.303 nan 8.380 nan 0.000 0.468 842 T N 0.580 115.128 114.554 -0.009 0.000 2.876 842 T HA 0.468 4.818 4.350 -0.001 0.000 0.289 842 T C -0.496 174.197 174.700 -0.013 0.000 1.014 842 T CA -0.656 61.432 62.100 -0.020 0.000 0.986 842 T CB 2.869 71.729 68.868 -0.014 0.000 1.021 842 T HN -0.034 nan 8.240 nan 0.000 0.458 843 R N 1.744 122.218 120.500 -0.042 0.000 2.750 843 R HA 0.752 5.092 4.340 -0.001 0.000 0.281 843 R C -1.962 174.313 176.300 -0.042 0.000 0.972 843 R CA -0.919 55.157 56.100 -0.040 0.000 0.912 843 R CB 1.268 31.475 30.300 -0.154 0.000 1.187 843 R HN 0.465 nan 8.270 nan 0.000 0.464 844 L N 2.488 123.719 121.223 0.012 0.000 2.376 844 L HA 0.500 4.840 4.340 -0.001 0.000 0.275 844 L C -1.410 175.498 176.870 0.063 0.000 0.987 844 L CA 0.085 54.924 54.840 -0.001 0.000 0.828 844 L CB 2.334 44.382 42.059 -0.019 0.000 1.249 844 L HN 0.649 nan 8.230 nan 0.000 0.409 845 T N 5.647 120.217 114.554 0.027 0.000 2.807 845 T HA 0.570 4.920 4.350 -0.001 0.000 0.279 845 T C -1.107 173.656 174.700 0.106 0.000 0.993 845 T CA -0.278 61.878 62.100 0.093 0.000 0.970 845 T CB 1.427 70.278 68.868 -0.029 0.000 0.950 845 T HN 0.454 nan 8.240 nan 0.000 0.441 846 L N 5.165 126.488 121.223 0.167 0.000 2.298 846 L HA 0.551 4.890 4.340 -0.001 0.000 0.284 846 L C -1.325 175.694 176.870 0.248 0.000 1.013 846 L CA -0.703 54.245 54.840 0.181 0.000 0.824 846 L CB 0.512 42.655 42.059 0.141 0.000 1.221 846 L HN 0.408 nan 8.230 nan 0.000 0.418 847 L N 3.827 125.201 121.223 0.252 0.000 2.334 847 L HA 0.674 5.013 4.340 -0.001 0.000 0.275 847 L C 0.491 177.516 176.870 0.258 0.000 1.036 847 L CA -0.268 54.716 54.840 0.241 0.000 0.807 847 L CB 1.530 43.696 42.059 0.179 0.000 1.231 847 L HN 0.776 nan 8.230 nan 0.000 0.438 848 T N -2.527 112.124 114.554 0.161 0.000 2.908 848 T HA 0.611 4.961 4.350 -0.001 0.000 0.290 848 T C 0.627 175.283 174.700 -0.074 0.000 1.034 848 T CA -0.310 61.789 62.100 -0.001 0.000 1.010 848 T CB 1.928 70.802 68.868 0.010 0.000 1.068 848 T HN 0.676 nan 8.240 nan 0.000 0.481 849 G N 1.258 109.935 108.800 -0.205 0.000 3.284 849 G HA2 0.423 4.383 3.960 -0.001 0.000 0.236 849 G HA3 0.423 4.383 3.960 -0.001 0.000 0.236 849 G C 0.182 175.015 174.900 -0.111 0.000 1.158 849 G CA -0.297 44.727 45.100 -0.127 0.000 0.774 849 G HN 0.966 nan 8.290 nan 0.000 0.545 850 Q N -0.243 119.482 119.800 -0.124 0.000 2.527 850 Q HA 0.325 4.664 4.340 -0.001 0.000 0.280 850 Q C -3.559 172.402 176.000 -0.065 0.000 0.977 850 Q CA -2.217 53.540 55.803 -0.077 0.000 0.837 850 Q CB 1.884 30.589 28.738 -0.056 0.000 1.454 850 Q HN -0.004 nan 8.270 nan 0.000 0.387 851 P HA 0.519 nan 4.420 nan 0.000 0.285 851 P C -0.682 176.605 177.300 -0.022 0.000 1.259 851 P CA -0.249 62.834 63.100 -0.029 0.000 0.794 851 P CB 1.183 32.872 31.700 -0.019 0.000 0.940 852 L N 1.367 122.571 121.223 -0.031 0.000 2.491 852 L HA 0.676 5.016 4.340 -0.001 0.000 0.254 852 L C 0.651 177.532 176.870 0.019 0.000 1.048 852 L CA -1.096 53.747 54.840 0.006 0.000 0.855 852 L CB 2.174 44.222 42.059 -0.018 0.000 1.466 852 L HN 0.363 nan 8.230 nan 0.000 0.409 853 G N -1.025 107.841 108.800 0.110 0.000 2.412 853 G HA2 0.721 4.680 3.960 -0.001 0.000 0.318 853 G HA3 0.721 4.680 3.960 -0.001 0.000 0.318 853 G C -0.553 174.361 174.900 0.023 0.000 1.146 853 G CA 0.050 45.260 45.100 0.183 0.000 0.882 853 G HN 0.881 nan 8.290 nan 0.000 0.501 854 G N -1.513 107.118 108.800 -0.282 0.000 2.554 854 G HA2 0.707 4.667 3.960 -0.001 0.000 0.306 854 G HA3 0.707 4.667 3.960 -0.001 0.000 0.306 854 G C -1.085 173.341 174.900 -0.789 0.000 1.320 854 G CA 0.532 45.260 45.100 -0.620 0.000 0.800 854 G HN 1.435 nan 8.290 nan 0.000 0.481 855 S N -2.111 113.225 115.700 -0.606 0.000 2.669 855 S HA 0.662 5.132 4.470 -0.001 0.000 0.266 855 S C -1.691 172.474 174.600 -0.725 0.000 1.149 855 S CA 0.478 58.323 58.200 -0.592 0.000 0.842 855 S CB 1.059 63.960 63.200 -0.498 0.000 1.160 855 S HN 1.671 nan 8.310 nan 0.000 0.487 856 S N 1.622 116.617 115.700 -1.175 0.000 2.664 856 S HA 0.469 4.939 4.470 -0.001 0.000 0.262 856 S C 0.209 174.543 174.600 -0.443 0.000 1.229 856 S CA -0.642 57.105 58.200 -0.756 0.000 1.151 856 S CB -0.107 62.578 63.200 -0.859 0.000 1.054 856 S HN 0.566 nan 8.310 nan 0.000 0.483 857 L N 2.929 124.038 121.223 -0.190 0.000 2.599 857 L HA 0.464 4.804 4.340 -0.001 0.000 0.230 857 L C 0.881 177.737 176.870 -0.023 0.000 1.141 857 L CA 0.275 55.085 54.840 -0.050 0.000 0.877 857 L CB -0.129 41.962 42.059 0.054 0.000 1.009 857 L HN 0.689 nan 8.230 nan 0.000 0.447 858 A N -1.133 121.661 122.820 -0.044 0.000 2.604 858 A HA 0.442 4.762 4.320 -0.001 0.000 0.295 858 A C -0.389 177.188 177.584 -0.011 0.000 1.067 858 A CA -0.454 51.577 52.037 -0.010 0.000 0.683 858 A CB 1.206 20.208 19.000 0.003 0.000 1.281 858 A HN -0.123 nan 8.150 nan 0.000 0.407 859 S N 0.102 115.810 115.700 0.013 0.000 2.558 859 S HA 0.392 4.862 4.470 -0.001 0.000 0.293 859 S C 1.555 176.172 174.600 0.028 0.000 1.292 859 S CA 1.884 60.100 58.200 0.028 0.000 1.063 859 S CB -0.011 63.209 63.200 0.033 0.000 0.831 859 S HN 2.682 nan 8.310 nan 0.000 0.499 860 G N 3.263 112.085 108.800 0.036 0.000 2.184 860 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.264 860 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.264 860 G C -0.145 174.755 174.900 0.000 0.000 0.975 860 G CA 0.622 45.745 45.100 0.037 0.000 0.642 860 G HN 0.746 nan 8.290 nan 0.000 0.536 861 E N -0.693 119.490 120.200 -0.027 0.000 2.222 861 E HA 0.805 5.155 4.350 -0.001 0.000 0.267 861 E C -0.220 176.316 176.600 -0.106 0.000 0.963 861 E CA -0.814 55.546 56.400 -0.067 0.000 0.837 861 E CB 1.848 31.508 29.700 -0.066 0.000 1.183 861 E HN 0.225 nan 8.360 nan 0.000 0.403 862 L N 1.447 122.599 121.223 -0.118 0.000 2.445 862 L HA 0.453 4.793 4.340 -0.001 0.000 0.262 862 L C -0.781 176.013 176.870 -0.126 0.000 0.974 862 L CA -0.632 54.129 54.840 -0.131 0.000 0.822 862 L CB 2.138 44.151 42.059 -0.077 0.000 1.339 862 L HN 0.683 nan 8.230 nan 0.000 0.409 863 E N 3.037 123.155 120.200 -0.136 0.000 2.390 863 E HA 0.731 5.080 4.350 -0.001 0.000 0.277 863 E C -1.567 174.980 176.600 -0.088 0.000 0.939 863 E CA -0.858 55.493 56.400 -0.081 0.000 0.769 863 E CB 3.446 33.146 29.700 0.000 0.000 1.251 863 E HN 0.530 nan 8.360 nan 0.000 0.450 864 I N 2.008 122.568 120.570 -0.017 0.000 2.610 864 I HA 0.301 4.471 4.170 -0.001 0.000 0.289 864 I C -1.467 174.716 176.117 0.110 0.000 1.163 864 I CA -1.103 60.209 61.300 0.020 0.000 1.044 864 I CB 1.987 40.008 38.000 0.034 0.000 1.251 864 I HN 0.784 nan 8.210 nan 0.000 0.424 865 M N 6.358 126.059 119.600 0.169 0.000 2.228 865 M HA 0.207 4.687 4.480 -0.001 0.000 0.351 865 M C 0.614 177.019 176.300 0.176 0.000 1.233 865 M CA 0.629 56.039 55.300 0.184 0.000 1.129 865 M CB 0.895 33.570 32.600 0.126 0.000 1.604 865 M HN 0.581 nan 8.290 nan 0.000 0.457 866 Q N 1.531 121.473 119.800 0.238 0.000 2.200 866 Q HA 0.228 4.567 4.340 -0.001 0.000 0.197 866 Q C -0.217 176.010 176.000 0.378 0.000 0.953 866 Q CA 0.938 56.955 55.803 0.356 0.000 0.851 866 Q CB 0.305 29.279 28.738 0.393 0.000 0.938 866 Q HN 0.760 nan 8.270 nan 0.000 0.488 867 D N -0.973 119.572 120.400 0.241 0.000 2.653 867 D HA 0.282 4.922 4.640 -0.001 0.000 0.258 867 D C -1.395 174.985 176.300 0.133 0.000 1.252 867 D CA -0.473 53.644 54.000 0.195 0.000 0.777 867 D CB 1.512 42.413 40.800 0.169 0.000 1.339 867 D HN 0.043 nan 8.370 nan 0.000 0.422 868 R N 0.800 121.366 120.500 0.110 0.000 2.651 868 R HA 0.712 5.051 4.340 -0.001 0.000 0.278 868 R C -0.948 175.403 176.300 0.085 0.000 1.010 868 R CA -1.077 55.072 56.100 0.083 0.000 0.896 868 R CB 2.285 32.607 30.300 0.037 0.000 1.211 868 R HN 0.321 nan 8.270 nan 0.000 0.456 869 R N 3.573 124.121 120.500 0.080 0.000 2.483 869 R HA 0.439 4.779 4.340 -0.001 0.000 0.303 869 R C -1.523 174.817 176.300 0.066 0.000 0.987 869 R CA -0.557 55.586 56.100 0.071 0.000 0.881 869 R CB 1.277 31.616 30.300 0.066 0.000 1.177 869 R HN 0.710 nan 8.270 nan 0.000 0.451 870 L N 3.949 125.208 121.223 0.061 0.000 2.356 870 L HA 0.548 4.888 4.340 -0.001 0.000 0.277 870 L C 0.809 177.707 176.870 0.046 0.000 0.996 870 L CA -0.575 54.298 54.840 0.055 0.000 0.822 870 L CB 2.134 44.226 42.059 0.056 0.000 1.256 870 L HN 0.807 nan 8.230 nan 0.000 0.413 871 A N 1.610 124.454 122.820 0.040 0.000 2.123 871 A HA 0.166 4.486 4.320 -0.001 0.000 0.214 871 A C 0.930 178.532 177.584 0.030 0.000 1.152 871 A CA 0.559 52.615 52.037 0.033 0.000 0.728 871 A CB 0.013 19.030 19.000 0.028 0.000 0.814 871 A HN 0.619 nan 8.150 nan 0.000 0.464 872 S N -0.171 115.547 115.700 0.031 0.000 2.638 872 S HA 0.419 4.889 4.470 -0.001 0.000 0.298 872 S C -0.631 173.990 174.600 0.034 0.000 1.111 872 S CA -0.670 57.547 58.200 0.027 0.000 1.027 872 S CB 1.492 64.704 63.200 0.020 0.000 1.064 872 S HN 0.491 nan 8.310 nan 0.000 0.525 873 D N 0.285 120.705 120.400 0.033 0.000 2.341 873 D HA 0.223 4.863 4.640 -0.001 0.000 0.245 873 D C -0.241 176.080 176.300 0.034 0.000 1.106 873 D CA -0.385 53.643 54.000 0.046 0.000 0.905 873 D CB 0.658 41.482 40.800 0.041 0.000 1.202 873 D HN 0.494 nan 8.370 nan 0.000 0.426 874 D N 1.761 122.187 120.400 0.044 0.000 2.643 874 D HA 0.075 4.715 4.640 -0.001 0.000 0.244 874 D C -0.400 175.860 176.300 -0.067 0.000 1.257 874 D CA -0.316 53.677 54.000 -0.011 0.000 0.831 874 D CB -0.453 40.333 40.800 -0.024 0.000 1.043 874 D HN 0.695 nan 8.370 nan 0.000 0.488 875 E N -0.200 119.984 120.200 -0.027 0.000 2.791 875 E HA -0.228 4.121 4.350 -0.001 0.000 0.271 875 E C 0.213 176.762 176.600 -0.085 0.000 1.044 875 E CA 0.254 56.633 56.400 -0.036 0.000 0.814 875 E CB -0.898 28.782 29.700 -0.033 0.000 1.400 875 E HN 0.220 nan 8.360 nan 0.000 0.423 876 R N -0.393 120.009 120.500 -0.164 0.000 2.586 876 R HA 0.221 4.561 4.340 -0.001 0.000 0.336 876 R C 1.357 177.686 176.300 0.049 0.000 1.060 876 R CA 0.594 56.497 56.100 -0.329 0.000 1.079 876 R CB 0.789 30.326 30.300 -1.272 0.000 1.317 876 R HN 0.426 nan 8.270 nan 0.000 0.568 877 G N 0.882 109.799 108.800 0.195 0.000 2.195 877 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.246 877 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.246 877 G C 0.786 175.797 174.900 0.185 0.000 0.984 877 G CA 0.339 45.648 45.100 0.348 0.000 0.633 877 G HN 0.355 nan 8.290 nan 0.000 0.525 878 L N 1.294 122.716 121.223 0.332 0.000 2.141 878 L HA 0.439 4.779 4.340 -0.001 0.000 0.209 878 L C 2.200 179.054 176.870 -0.027 0.000 1.094 878 L CA 2.645 57.564 54.840 0.131 0.000 0.763 878 L CB -0.517 41.785 42.059 0.405 0.000 0.908 878 L HN 1.720 nan 8.230 nan 0.000 0.437 879 G N -0.443 108.375 108.800 0.031 0.000 2.176 879 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.252 879 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.252 879 G C 0.067 174.973 174.900 0.010 0.000 1.024 879 G CA 0.639 45.740 45.100 0.002 0.000 0.755 879 G HN 0.814 nan 8.290 nan 0.000 0.507 880 Q N -2.244 117.578 119.800 0.036 0.000 2.702 880 Q HA 0.663 5.002 4.340 -0.001 0.000 0.289 880 Q C 0.319 176.349 176.000 0.050 0.000 0.923 880 Q CA -0.581 55.242 55.803 0.035 0.000 0.787 880 Q CB 0.365 29.120 28.738 0.028 0.000 1.476 880 Q HN 0.991 nan 8.270 nan 0.000 0.402 881 G N -0.004 108.823 108.800 0.044 0.000 2.574 881 G HA2 0.553 4.513 3.960 -0.001 0.000 0.248 881 G HA3 0.553 4.513 3.960 -0.001 0.000 0.248 881 G C -1.015 173.916 174.900 0.051 0.000 1.422 881 G CA -0.663 44.465 45.100 0.048 0.000 1.051 881 G HN 0.410 nan 8.290 nan 0.000 0.560 882 V N 0.894 120.840 119.914 0.054 0.000 2.305 882 V HA 0.349 4.468 4.120 -0.001 0.000 0.275 882 V C 0.013 176.144 176.094 0.062 0.000 1.020 882 V CA -0.163 62.175 62.300 0.064 0.000 0.811 882 V CB 0.932 32.796 31.823 0.070 0.000 1.031 882 V HN 0.533 nan 8.190 nan 0.000 0.439 883 L N 3.469 124.726 121.223 0.058 0.000 3.267 883 L HA 0.331 4.671 4.340 -0.001 0.000 0.289 883 L C 0.508 177.407 176.870 0.050 0.000 1.260 883 L CA 0.011 54.881 54.840 0.050 0.000 1.034 883 L CB 0.689 42.772 42.059 0.040 0.000 1.413 883 L HN 0.666 nan 8.230 nan 0.000 0.594 884 D N -2.195 118.243 120.400 0.063 0.000 2.559 884 D HA 0.068 4.708 4.640 -0.001 0.000 0.234 884 D C 0.152 176.494 176.300 0.070 0.000 1.226 884 D CA -0.452 53.585 54.000 0.061 0.000 0.830 884 D CB -0.352 40.492 40.800 0.073 0.000 1.028 884 D HN 0.073 nan 8.370 nan 0.000 0.492 885 N N 1.640 120.381 118.700 0.068 0.000 2.374 885 N HA 0.150 4.890 4.740 -0.001 0.000 0.241 885 N C 0.209 175.731 175.510 0.020 0.000 1.262 885 N CA 0.278 53.369 53.050 0.068 0.000 0.880 885 N CB 0.677 39.204 38.487 0.066 0.000 1.105 885 N HN 0.311 nan 8.380 nan 0.000 0.438 886 K N -0.832 119.566 120.400 -0.004 0.000 2.536 886 K HA 0.548 4.868 4.320 -0.001 0.000 0.269 886 K C -3.262 173.311 176.600 -0.045 0.000 0.965 886 K CA -2.016 54.225 56.287 -0.076 0.000 0.860 886 K CB 1.100 33.468 32.500 -0.220 0.000 1.423 886 K HN 0.121 nan 8.250 nan 0.000 0.438 887 P HA -0.033 nan 4.420 nan 0.000 0.262 887 P C -1.017 176.302 177.300 0.032 0.000 1.182 887 P CA -0.366 62.715 63.100 -0.031 0.000 0.761 887 P CB 0.700 32.371 31.700 -0.047 0.000 0.795 888 V N 5.128 125.026 119.914 -0.026 0.000 2.841 888 V HA 0.487 4.606 4.120 -0.001 0.000 0.310 888 V C -1.417 174.552 176.094 -0.207 0.000 1.090 888 V CA -1.097 61.172 62.300 -0.051 0.000 0.930 888 V CB 2.203 33.983 31.823 -0.072 0.000 1.014 888 V HN 0.262 nan 8.190 nan 0.000 0.425 889 L N 6.803 127.932 121.223 -0.157 0.000 2.287 889 L HA 0.596 4.936 4.340 -0.001 0.000 0.280 889 L C -0.396 176.459 176.870 -0.026 0.000 1.055 889 L CA 0.111 54.890 54.840 -0.101 0.000 0.863 889 L CB 0.180 42.198 42.059 -0.068 0.000 1.245 889 L HN 0.709 nan 8.230 nan 0.000 0.432 890 H N 5.468 124.552 119.070 0.023 0.000 2.582 890 H HA 0.481 5.037 4.556 -0.001 0.000 0.345 890 H C -0.032 175.198 175.328 -0.164 0.000 1.104 890 H CA -0.175 55.831 56.048 -0.070 0.000 1.390 890 H CB 1.211 31.007 29.762 0.057 0.000 1.461 890 H HN 0.685 nan 8.280 nan 0.000 0.551 891 I N 0.171 120.570 120.570 -0.285 0.000 2.785 891 I HA 0.625 4.795 4.170 -0.001 0.000 0.302 891 I C -1.388 174.379 176.117 -0.583 0.000 1.069 891 I CA -0.952 60.206 61.300 -0.235 0.000 1.045 891 I CB 2.206 40.159 38.000 -0.078 0.000 1.236 891 I HN 0.249 nan 8.210 nan 0.000 0.429 892 Y N 2.044 122.393 120.300 0.081 0.000 2.670 892 Y HA 0.689 5.239 4.550 -0.001 0.000 0.334 892 Y C -0.705 175.248 175.900 0.089 0.000 1.185 892 Y CA -1.108 57.047 58.100 0.092 0.000 1.053 892 Y CB 1.474 40.010 38.460 0.126 0.000 1.298 892 Y HN 0.414 nan 8.280 nan 0.000 0.459 893 R N 1.374 122.046 120.500 0.287 0.000 2.621 893 R HA 0.593 4.932 4.340 -0.001 0.000 0.292 893 R C -1.953 174.465 176.300 0.196 0.000 0.969 893 R CA -1.079 55.137 56.100 0.193 0.000 0.887 893 R CB 2.544 32.916 30.300 0.120 0.000 1.180 893 R HN 0.653 nan 8.270 nan 0.000 0.450 894 L N 2.710 124.030 121.223 0.162 0.000 2.319 894 L HA 0.450 4.790 4.340 -0.001 0.000 0.281 894 L C -1.184 175.718 176.870 0.054 0.000 1.005 894 L CA -0.556 54.354 54.840 0.117 0.000 0.828 894 L CB 1.799 43.946 42.059 0.146 0.000 1.227 894 L HN 0.314 nan 8.230 nan 0.000 0.415 895 V N 6.257 126.185 119.914 0.024 0.000 2.350 895 V HA 0.403 4.523 4.120 -0.001 0.000 0.285 895 V C -0.384 175.685 176.094 -0.041 0.000 1.014 895 V CA -0.578 61.717 62.300 -0.010 0.000 0.831 895 V CB 1.404 33.212 31.823 -0.024 0.000 1.000 895 V HN 0.637 nan 8.190 nan 0.000 0.433 896 L N 5.494 126.688 121.223 -0.048 0.000 2.275 896 L HA 0.695 5.034 4.340 -0.001 0.000 0.288 896 L C -0.153 176.677 176.870 -0.067 0.000 1.046 896 L CA 0.641 55.443 54.840 -0.063 0.000 0.805 896 L CB 1.086 43.104 42.059 -0.069 0.000 1.193 896 L HN 0.738 nan 8.230 nan 0.000 0.426 897 E N 3.526 123.679 120.200 -0.078 0.000 2.383 897 E HA 0.455 4.804 4.350 -0.001 0.000 0.275 897 E C -1.240 175.313 176.600 -0.078 0.000 0.918 897 E CA -1.210 55.141 56.400 -0.083 0.000 0.764 897 E CB 1.515 31.148 29.700 -0.110 0.000 1.252 897 E HN 0.258 nan 8.360 nan 0.000 0.449 898 K N 1.237 121.595 120.400 -0.070 0.000 2.249 898 K HA 0.207 4.526 4.320 -0.001 0.000 0.280 898 K C 0.395 176.951 176.600 -0.075 0.000 1.033 898 K CA -0.209 56.041 56.287 -0.062 0.000 0.946 898 K CB 1.228 33.697 32.500 -0.052 0.000 1.005 898 K HN 0.475 nan 8.250 nan 0.000 0.469 899 V N -0.667 119.204 119.914 -0.071 0.000 3.253 899 V HA 0.027 4.147 4.120 -0.001 0.000 0.320 899 V C 1.148 177.206 176.094 -0.061 0.000 1.442 899 V CA -0.319 61.930 62.300 -0.085 0.000 1.097 899 V CB -0.321 31.434 31.823 -0.112 0.000 1.008 899 V HN 0.627 nan 8.190 nan 0.000 0.463 900 N N 1.420 120.093 118.700 -0.045 0.000 2.364 900 N HA -0.179 4.561 4.740 -0.001 0.000 0.183 900 N C 1.010 176.498 175.510 -0.036 0.000 1.022 900 N CA 1.618 54.649 53.050 -0.032 0.000 0.883 900 N CB -0.460 38.012 38.487 -0.025 0.000 0.965 900 N HN 0.540 nan 8.380 nan 0.000 0.438 901 N N 0.064 118.737 118.700 -0.045 0.000 2.280 901 N HA 0.077 4.816 4.740 -0.001 0.000 0.192 901 N C -0.308 175.170 175.510 -0.054 0.000 1.109 901 N CA -0.113 52.910 53.050 -0.045 0.000 0.855 901 N CB 0.135 38.595 38.487 -0.045 0.000 0.974 901 N HN 0.211 nan 8.380 nan 0.000 0.482 902 c N 1.400 119.961 118.600 -0.064 0.000 2.593 902 c HA 0.243 4.813 4.570 -0.001 0.000 0.409 902 c C 1.091 175.141 174.090 -0.066 0.000 1.304 902 c CA -0.955 55.328 56.329 -0.077 0.000 2.007 902 c CB 0.618 43.068 42.510 -0.100 0.000 2.614 902 c HN 0.013 nan 8.230 nan 0.000 0.585 903 V N 5.849 125.720 119.914 -0.072 0.000 2.381 903 V HA 0.173 4.292 4.120 -0.001 0.000 0.257 903 V C 0.691 176.746 176.094 -0.065 0.000 1.057 903 V CA 0.469 62.732 62.300 -0.062 0.000 1.013 903 V CB -0.704 31.077 31.823 -0.070 0.000 1.069 903 V HN 0.794 nan 8.190 nan 0.000 0.484 904 R N 4.833 125.308 120.500 -0.042 0.000 2.674 904 R HA 0.546 4.885 4.340 -0.001 0.000 0.266 904 R C -2.403 173.893 176.300 -0.006 0.000 1.016 904 R CA -1.807 54.278 56.100 -0.025 0.000 1.062 904 R CB 1.030 31.321 30.300 -0.015 0.000 1.142 904 R HN 0.401 nan 8.270 nan 0.000 0.517 905 P HA -0.014 nan 4.420 nan 0.000 0.272 905 P C -0.415 176.933 177.300 0.080 0.000 1.240 905 P CA -0.320 62.776 63.100 -0.006 0.000 0.791 905 P CB 0.598 32.220 31.700 -0.131 0.000 0.978 906 S N 0.617 116.392 115.700 0.125 0.000 2.596 906 S HA 0.094 4.564 4.470 -0.001 0.000 0.260 906 S C 1.087 175.773 174.600 0.143 0.000 1.336 906 S CA -0.170 58.101 58.200 0.118 0.000 0.993 906 S CB 0.285 63.553 63.200 0.113 0.000 0.923 906 S HN 0.301 nan 8.310 nan 0.000 0.567 907 K N 0.244 120.708 120.400 0.107 0.000 2.211 907 K HA 0.021 4.341 4.320 -0.001 0.000 0.204 907 K C 1.483 178.142 176.600 0.098 0.000 1.047 907 K CA 1.312 57.659 56.287 0.100 0.000 0.935 907 K CB -0.554 31.987 32.500 0.069 0.000 0.728 907 K HN 0.545 nan 8.250 nan 0.000 0.452 908 L N 0.003 121.285 121.223 0.099 0.000 2.567 908 L HA 0.042 4.382 4.340 -0.001 0.000 0.225 908 L C 0.995 177.916 176.870 0.084 0.000 1.119 908 L CA -0.229 54.652 54.840 0.068 0.000 0.871 908 L CB -0.278 41.807 42.059 0.043 0.000 1.036 908 L HN 0.251 nan 8.230 nan 0.000 0.459 909 H N 2.949 122.060 119.070 0.068 0.000 2.803 909 H HA 0.082 4.638 4.556 -0.001 0.000 0.330 909 H C -1.688 173.685 175.328 0.075 0.000 1.057 909 H CA -1.441 54.661 56.048 0.090 0.000 1.458 909 H CB 1.767 31.610 29.762 0.135 0.000 1.470 909 H HN -0.070 nan 8.280 nan 0.000 0.560 910 P HA 0.136 nan 4.420 nan 0.000 0.249 910 P C -0.325 177.087 177.300 0.186 0.000 1.229 910 P CA 0.192 63.330 63.100 0.063 0.000 0.788 910 P CB 0.487 32.146 31.700 -0.068 0.000 1.072 911 A N -0.427 122.690 122.820 0.495 0.000 2.288 911 A HA 0.782 5.102 4.320 -0.001 0.000 0.328 911 A C 0.211 177.885 177.584 0.150 0.000 1.123 911 A CA -0.311 51.883 52.037 0.260 0.000 0.861 911 A CB 1.038 20.177 19.000 0.232 0.000 1.272 911 A HN 0.167 nan 8.150 nan 0.000 0.490 912 G N -1.675 107.057 108.800 -0.114 0.000 2.680 912 G HA2 0.628 4.587 3.960 -0.001 0.000 0.290 912 G HA3 0.628 4.587 3.960 -0.001 0.000 0.290 912 G C -1.869 172.634 174.900 -0.661 0.000 1.355 912 G CA -0.394 44.556 45.100 -0.250 0.000 0.903 912 G HN 0.545 nan 8.290 nan 0.000 0.474 913 Y N -0.729 119.526 120.300 -0.076 0.000 2.504 913 Y HA 0.483 5.032 4.550 -0.001 0.000 0.344 913 Y C 0.407 176.053 175.900 -0.422 0.000 1.023 913 Y CA -0.899 57.087 58.100 -0.190 0.000 1.020 913 Y CB 2.131 40.474 38.460 -0.194 0.000 1.282 913 Y HN 0.352 nan 8.280 nan 0.000 0.454 914 L N 2.066 123.110 121.223 -0.298 0.000 2.472 914 L HA 0.362 4.701 4.340 -0.001 0.000 0.260 914 L C 0.674 177.391 176.870 -0.255 0.000 1.209 914 L CA -0.433 54.164 54.840 -0.405 0.000 0.817 914 L CB 0.722 42.623 42.059 -0.263 0.000 1.106 914 L HN 0.771 nan 8.230 nan 0.000 0.479 915 T N -2.561 111.838 114.554 -0.259 0.000 2.881 915 T HA 0.183 4.532 4.350 -0.001 0.000 0.278 915 T C 1.081 175.726 174.700 -0.092 0.000 0.982 915 T CA -0.678 61.317 62.100 -0.176 0.000 0.989 915 T CB 1.442 70.203 68.868 -0.178 0.000 1.058 915 T HN 0.525 nan 8.240 nan 0.000 0.529 916 S N 0.680 116.338 115.700 -0.068 0.000 2.359 916 S HA -0.098 4.372 4.470 -0.001 0.000 0.224 916 S C 2.487 177.103 174.600 0.026 0.000 1.035 916 S CA 1.188 59.383 58.200 -0.008 0.000 1.018 916 S CB -1.021 62.160 63.200 -0.031 0.000 0.876 916 S HN 0.884 nan 8.310 nan 0.000 0.448 917 A N 1.478 124.287 122.820 -0.017 0.000 1.902 917 A HA 0.109 4.429 4.320 -0.001 0.000 0.217 917 A C 2.348 179.932 177.584 0.000 0.000 1.181 917 A CA 1.726 53.758 52.037 -0.009 0.000 0.623 917 A CB -1.035 17.947 19.000 -0.029 0.000 0.818 917 A HN 0.524 nan 8.150 nan 0.000 0.443 918 A N -1.380 121.424 122.820 -0.027 0.000 1.930 918 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 918 A C 2.121 179.737 177.584 0.053 0.000 1.175 918 A CA 1.615 53.639 52.037 -0.022 0.000 0.627 918 A CB -0.907 18.018 19.000 -0.124 0.000 0.815 918 A HN 0.782 nan 8.150 nan 0.000 0.443 919 H N 0.034 119.089 119.070 -0.026 0.000 2.326 919 H HA -0.051 4.505 4.556 -0.001 0.000 0.301 919 H C 1.855 177.222 175.328 0.065 0.000 1.081 919 H CA 1.838 57.908 56.048 0.038 0.000 1.334 919 H CB -0.071 29.709 29.762 0.030 0.000 1.385 919 H HN 0.434 nan 8.280 nan 0.000 0.504 920 K N 0.253 120.657 120.400 0.007 0.000 2.103 920 K HA -0.093 4.226 4.320 -0.001 0.000 0.207 920 K C 2.400 178.980 176.600 -0.034 0.000 1.048 920 K CA 0.927 57.187 56.287 -0.044 0.000 0.930 920 K CB -0.066 32.452 32.500 0.030 0.000 0.716 920 K HN 0.281 nan 8.250 nan 0.000 0.444 921 A N 0.826 123.646 122.820 0.001 0.000 1.902 921 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 921 A C 2.212 179.806 177.584 0.016 0.000 1.181 921 A CA 2.075 54.123 52.037 0.019 0.000 0.623 921 A CB -0.704 18.320 19.000 0.039 0.000 0.818 921 A HN 0.284 nan 8.150 nan 0.000 0.443 922 S N -0.669 115.043 115.700 0.020 0.000 2.368 922 S HA -0.238 4.232 4.470 -0.001 0.000 0.225 922 S C 2.144 176.735 174.600 -0.015 0.000 1.030 922 S CA 1.734 59.960 58.200 0.043 0.000 0.999 922 S CB -0.415 62.852 63.200 0.112 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.579 120.323 119.800 -0.093 0.000 2.170 923 Q HA -0.090 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.462 178.420 176.000 -0.070 0.000 0.976 923 Q CA 1.672 57.421 55.803 -0.090 0.000 0.858 923 Q CB -0.306 28.359 28.738 -0.122 0.000 0.907 923 Q HN 0.811 nan 8.270 nan 0.000 0.433 924 S N 0.074 115.745 115.700 -0.049 0.000 2.453 924 S HA -0.046 4.423 4.470 -0.001 0.000 0.231 924 S C 1.831 176.389 174.600 -0.070 0.000 1.005 924 S CA 0.553 58.722 58.200 -0.051 0.000 0.949 924 S CB -0.169 63.018 63.200 -0.020 0.000 0.774 924 S HN 0.262 nan 8.310 nan 0.000 0.510 925 L N 0.087 121.278 121.223 -0.054 0.000 2.145 925 L HA 0.229 4.569 4.340 -0.001 0.000 0.201 925 L C 2.515 179.325 176.870 -0.100 0.000 1.075 925 L CA 0.707 55.510 54.840 -0.061 0.000 0.773 925 L CB -0.385 41.657 42.059 -0.028 0.000 0.936 925 L HN 0.274 nan 8.230 nan 0.000 0.451 926 L N -1.022 120.147 121.223 -0.091 0.000 2.162 926 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 926 L C 0.206 176.953 176.870 -0.206 0.000 1.086 926 L CA 0.896 55.667 54.840 -0.115 0.000 0.778 926 L CB 0.044 42.061 42.059 -0.070 0.000 0.928 926 L HN 0.234 nan 8.230 nan 0.000 0.446 927 D N 0.180 120.440 120.400 -0.232 0.000 2.613 927 D HA 0.225 4.865 4.640 -0.001 0.000 0.312 927 D C -2.319 173.758 176.300 -0.371 0.000 1.202 927 D CA -0.969 52.807 54.000 -0.373 0.000 0.825 927 D CB 1.256 42.026 40.800 -0.050 0.000 1.113 927 D HN 0.078 nan 8.370 nan 0.000 0.502 928 P HA 0.108 nan 4.420 nan 0.000 0.274 928 P C 0.563 177.739 177.300 -0.207 0.000 1.260 928 P CA -0.487 62.458 63.100 -0.258 0.000 0.793 928 P CB 1.567 33.130 31.700 -0.228 0.000 1.048 929 L N 0.631 121.786 121.223 -0.113 0.000 2.483 929 L HA 0.100 4.440 4.340 -0.001 0.000 0.276 929 L C 0.928 177.785 176.870 -0.023 0.000 1.213 929 L CA 0.417 55.232 54.840 -0.043 0.000 0.843 929 L CB -0.251 41.795 42.059 -0.021 0.000 1.107 929 L HN 0.294 nan 8.230 nan 0.000 0.487 930 D N 2.845 123.296 120.400 0.084 0.000 2.193 930 D HA 0.359 4.998 4.640 -0.001 0.000 0.249 930 D C -0.416 175.840 176.300 -0.075 0.000 1.034 930 D CA -0.366 53.612 54.000 -0.037 0.000 0.902 930 D CB 1.804 42.634 40.800 0.051 0.000 1.182 930 D HN 0.360 nan 8.370 nan 0.000 0.436 931 K N 1.232 121.453 120.400 -0.300 0.000 2.345 931 K HA 0.493 4.813 4.320 -0.001 0.000 0.255 931 K C -1.054 175.415 176.600 -0.219 0.000 0.934 931 K CA -0.667 55.585 56.287 -0.059 0.000 0.801 931 K CB 1.656 34.098 32.500 -0.097 0.000 1.137 931 K HN 0.225 nan 8.250 nan 0.000 0.424 932 F N 2.455 122.593 119.950 0.313 0.000 2.540 932 F HA 0.492 5.019 4.527 -0.001 0.000 0.317 932 F C -0.020 176.084 175.800 0.507 0.000 1.104 932 F CA -0.890 57.300 58.000 0.316 0.000 0.913 932 F CB 1.256 40.285 39.000 0.048 0.000 1.170 932 F HN 0.194 nan 8.300 nan 0.000 0.450 933 I N 3.389 124.346 120.570 0.645 0.000 2.354 933 I HA 0.224 4.393 4.170 -0.001 0.000 0.292 933 I C -0.520 175.859 176.117 0.435 0.000 0.989 933 I CA -0.854 60.743 61.300 0.495 0.000 1.188 933 I CB 1.234 39.423 38.000 0.315 0.000 1.342 933 I HN 0.439 nan 8.210 nan 0.000 0.457 934 F N 5.790 125.867 119.950 0.212 0.000 2.578 934 F HA 0.201 4.727 4.527 -0.001 0.000 0.381 934 F C 1.179 176.880 175.800 -0.165 0.000 1.069 934 F CA -0.057 57.760 58.000 -0.305 0.000 1.231 934 F CB 1.153 40.040 39.000 -0.187 0.000 1.086 934 F HN 0.590 nan 8.300 nan 0.000 0.564 935 A N 4.464 126.663 122.820 -1.034 0.000 2.072 935 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 935 A C 0.767 178.061 177.584 -0.483 0.000 1.156 935 A CA 0.442 52.124 52.037 -0.592 0.000 0.701 935 A CB -0.408 18.276 19.000 -0.528 0.000 0.816 935 A HN 0.799 nan 8.150 nan 0.000 0.458 936 E N -0.881 118.885 120.200 -0.723 0.000 2.284 936 E HA 0.233 4.583 4.350 -0.001 0.000 0.255 936 E C 0.092 176.788 176.600 0.160 0.000 1.052 936 E CA -0.905 55.393 56.400 -0.171 0.000 0.904 936 E CB 0.377 30.038 29.700 -0.065 0.000 1.217 936 E HN 0.109 nan 8.360 nan 0.000 0.438 937 N N 0.598 119.410 118.700 0.187 0.000 2.188 937 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 937 N C -0.248 175.425 175.510 0.272 0.000 1.018 937 N CA 1.105 54.281 53.050 0.210 0.000 0.858 937 N CB 0.166 38.731 38.487 0.130 0.000 0.989 937 N HN 0.438 nan 8.380 nan 0.000 0.426 938 E N -0.791 119.597 120.200 0.312 0.000 2.256 938 E HA 0.113 4.463 4.350 -0.001 0.000 0.268 938 E C -1.523 175.153 176.600 0.127 0.000 0.877 938 E CA -0.705 55.795 56.400 0.167 0.000 0.757 938 E CB 1.219 30.976 29.700 0.095 0.000 1.183 938 E HN 0.022 nan 8.360 nan 0.000 0.418 939 W N 7.805 128.740 121.300 -0.610 0.000 2.295 939 W HA 0.405 5.065 4.660 -0.001 0.000 0.333 939 W C -1.377 174.916 176.519 -0.376 0.000 0.990 939 W CA -1.431 55.367 57.345 -0.912 0.000 1.453 939 W CB -0.215 28.206 29.460 -1.731 0.000 1.263 939 W HN 0.453 nan 8.180 nan 0.000 0.380 940 I N 5.771 126.426 120.570 0.141 0.000 2.496 940 I HA 0.275 4.444 4.170 -0.001 0.000 0.285 940 I C 1.522 177.638 176.117 -0.002 0.000 1.080 940 I CA 1.276 62.594 61.300 0.030 0.000 1.404 940 I CB 0.602 38.651 38.000 0.083 0.000 1.403 940 I HN 0.773 nan 8.210 nan 0.000 0.539 941 G N 4.223 112.933 108.800 -0.150 0.000 2.143 941 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.249 941 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.249 941 G C 0.422 175.098 174.900 -0.373 0.000 0.981 941 G CA -0.112 44.886 45.100 -0.170 0.000 0.665 941 G HN 1.024 nan 8.290 nan 0.000 0.528 942 A N -0.474 121.851 122.820 -0.825 0.000 2.531 942 A HA 0.559 4.878 4.320 -0.001 0.000 0.236 942 A C 0.568 177.727 177.584 -0.707 0.000 1.062 942 A CA 0.887 52.053 52.037 -1.452 0.000 0.760 942 A CB 0.247 18.009 19.000 -2.064 0.000 0.995 942 A HN 0.645 nan 8.150 nan 0.000 0.501 943 Q N 0.550 120.020 119.800 -0.550 0.000 2.399 943 Q HA 0.524 4.864 4.340 -0.001 0.000 0.276 943 Q C 1.094 176.977 176.000 -0.194 0.000 1.098 943 Q CA -0.225 55.420 55.803 -0.263 0.000 0.827 943 Q CB 1.965 30.617 28.738 -0.143 0.000 1.386 943 Q HN 0.803 nan 8.270 nan 0.000 0.443 944 G N 0.052 108.773 108.800 -0.131 0.000 2.623 944 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.214 944 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.214 944 G C 0.180 175.049 174.900 -0.053 0.000 1.138 944 G CA 0.589 45.625 45.100 -0.106 0.000 0.794 944 G HN 0.435 nan 8.290 nan 0.000 0.535 945 Q N -1.533 118.255 119.800 -0.021 0.000 2.594 945 Q HA 0.483 4.823 4.340 -0.001 0.000 0.278 945 Q C -2.410 173.604 176.000 0.024 0.000 0.961 945 Q CA -0.906 54.898 55.803 0.001 0.000 0.844 945 Q CB 1.883 30.604 28.738 -0.028 0.000 1.475 945 Q HN 0.047 nan 8.270 nan 0.000 0.389 946 F N 1.151 121.000 119.950 -0.167 0.000 2.569 946 F HA 0.646 5.173 4.527 -0.001 0.000 0.312 946 F C 0.456 175.993 175.800 -0.437 0.000 1.109 946 F CA 0.449 58.285 58.000 -0.272 0.000 0.919 946 F CB 2.055 40.907 39.000 -0.246 0.000 1.211 946 F HN 0.676 nan 8.300 nan 0.000 0.446 947 G N 3.061 110.802 108.800 -1.766 0.000 2.141 947 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.231 947 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.231 947 G C 1.029 175.216 174.900 -1.188 0.000 0.984 947 G CA 0.268 44.051 45.100 -2.195 0.000 0.660 947 G HN 1.603 nan 8.290 nan 0.000 0.525 948 G N 1.075 109.490 108.800 -0.642 0.000 2.479 948 G HA2 0.024 3.984 3.960 -0.001 0.000 0.220 948 G HA3 0.024 3.984 3.960 -0.001 0.000 0.220 948 G C 1.206 176.027 174.900 -0.131 0.000 1.115 948 G CA 1.766 46.730 45.100 -0.227 0.000 0.757 948 G HN 0.825 nan 8.290 nan 0.000 0.560 949 D N -0.884 119.355 120.400 -0.270 0.000 2.349 949 D HA 0.031 4.670 4.640 -0.001 0.000 0.214 949 D C 0.423 176.703 176.300 -0.034 0.000 1.063 949 D CA -0.470 53.468 54.000 -0.102 0.000 0.847 949 D CB -0.850 39.904 40.800 -0.077 0.000 0.933 949 D HN 0.465 nan 8.370 nan 0.000 0.513 950 H N 0.961 119.908 119.070 -0.205 0.000 2.732 950 H HA 0.232 4.787 4.556 -0.001 0.000 0.351 950 H C -1.996 173.293 175.328 -0.066 0.000 1.090 950 H CA -1.755 54.202 56.048 -0.152 0.000 1.431 950 H CB 0.600 30.221 29.762 -0.235 0.000 1.447 950 H HN -0.005 nan 8.280 nan 0.000 0.582 951 P HA -0.040 nan 4.420 nan 0.000 0.268 951 P C -0.660 176.709 177.300 0.116 0.000 1.205 951 P CA 0.007 63.170 63.100 0.105 0.000 0.771 951 P CB 0.801 32.542 31.700 0.070 0.000 0.858 952 S N 2.240 118.043 115.700 0.173 0.000 2.434 952 S HA 0.595 5.065 4.470 -0.001 0.000 0.318 952 S C -0.004 174.716 174.600 0.199 0.000 1.062 952 S CA -0.575 57.762 58.200 0.228 0.000 1.116 952 S CB -0.625 62.832 63.200 0.427 0.000 0.977 952 S HN 0.489 nan 8.310 nan 0.000 0.480 953 A N 4.405 127.334 122.820 0.182 0.000 2.313 953 A HA 0.532 4.852 4.320 -0.001 0.000 0.261 953 A C 0.543 178.205 177.584 0.130 0.000 1.090 953 A CA -0.588 51.534 52.037 0.141 0.000 0.807 953 A CB 0.216 19.293 19.000 0.129 0.000 1.055 953 A HN 0.912 nan 8.150 nan 0.000 0.492 954 R N -0.052 120.493 120.500 0.076 0.000 2.697 954 R HA -0.033 4.307 4.340 -0.001 0.000 0.265 954 R C 1.431 177.746 176.300 0.025 0.000 1.009 954 R CA 0.934 57.053 56.100 0.031 0.000 1.099 954 R CB 0.328 30.629 30.300 0.002 0.000 0.965 954 R HN 0.917 nan 8.270 nan 0.000 0.428 955 E N 1.819 121.992 120.200 -0.045 0.000 2.265 955 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 955 E C 0.217 176.844 176.600 0.044 0.000 0.996 955 E CA 1.560 57.911 56.400 -0.082 0.000 0.832 955 E CB -0.038 29.586 29.700 -0.126 0.000 0.756 955 E HN 0.755 nan 8.360 nan 0.000 0.491 956 D N 0.557 120.943 120.400 -0.023 0.000 2.340 956 D HA 0.007 4.646 4.640 -0.001 0.000 0.220 956 D C 0.379 176.681 176.300 0.003 0.000 1.039 956 D CA -0.145 53.796 54.000 -0.098 0.000 0.866 956 D CB -0.043 40.640 40.800 -0.195 0.000 0.913 956 D HN 0.166 nan 8.370 nan 0.000 0.523 957 L N 0.832 122.105 121.223 0.084 0.000 2.307 957 L HA 0.503 4.842 4.340 -0.001 0.000 0.282 957 L C -1.004 176.004 176.870 0.231 0.000 1.051 957 L CA -0.346 54.567 54.840 0.121 0.000 0.804 957 L CB 1.550 43.667 42.059 0.096 0.000 1.197 957 L HN -0.201 nan 8.230 nan 0.000 0.431 958 D N 2.331 122.887 120.400 0.260 0.000 2.671 958 D HA 0.347 4.986 4.640 -0.001 0.000 0.232 958 D C -1.337 175.134 176.300 0.284 0.000 1.114 958 D CA -0.279 53.898 54.000 0.295 0.000 0.858 958 D CB 2.386 43.408 40.800 0.370 0.000 1.544 958 D HN 0.218 nan 8.370 nan 0.000 0.471 959 V N 3.529 123.587 119.914 0.241 0.000 2.258 959 V HA 0.118 4.238 4.120 -0.001 0.000 0.258 959 V C 1.324 177.560 176.094 0.237 0.000 1.121 959 V CA 0.006 62.459 62.300 0.255 0.000 0.942 959 V CB 0.401 32.362 31.823 0.231 0.000 1.170 959 V HN 0.600 nan 8.190 nan 0.000 0.487 960 S N 3.124 118.995 115.700 0.285 0.000 2.383 960 S HA -0.038 4.432 4.470 -0.001 0.000 0.229 960 S C 0.668 175.326 174.600 0.098 0.000 1.030 960 S CA 0.972 59.292 58.200 0.199 0.000 1.002 960 S CB 0.130 63.503 63.200 0.289 0.000 0.829 960 S HN 0.503 nan 8.310 nan 0.000 0.467 961 V N 1.264 121.272 119.914 0.157 0.000 2.808 961 V HA 0.521 4.640 4.120 -0.001 0.000 0.308 961 V C -0.825 175.326 176.094 0.096 0.000 1.099 961 V CA -0.548 61.815 62.300 0.104 0.000 0.920 961 V CB 1.930 33.841 31.823 0.147 0.000 1.014 961 V HN 0.365 nan 8.190 nan 0.000 0.425 962 M N 5.629 125.199 119.600 -0.050 0.000 2.151 962 M HA 0.667 5.147 4.480 -0.001 0.000 0.290 962 M C -1.100 175.004 176.300 -0.325 0.000 0.965 962 M CA -0.468 54.655 55.300 -0.296 0.000 0.930 962 M CB 1.375 33.814 32.600 -0.269 0.000 1.560 962 M HN 0.762 nan 8.290 nan 0.000 0.438 963 R N 4.065 124.306 120.500 -0.432 0.000 2.515 963 R HA 0.445 4.785 4.340 -0.001 0.000 0.291 963 R C -1.432 174.629 176.300 -0.398 0.000 1.046 963 R CA -0.702 55.205 56.100 -0.322 0.000 0.914 963 R CB 1.891 32.092 30.300 -0.165 0.000 1.191 963 R HN 0.895 nan 8.270 nan 0.000 0.435 964 R N 4.640 124.963 120.500 -0.295 0.000 2.401 964 R HA 0.142 4.481 4.340 -0.001 0.000 0.299 964 R C 0.217 176.402 176.300 -0.192 0.000 1.064 964 R CA 0.036 55.992 56.100 -0.239 0.000 1.000 964 R CB 0.603 30.822 30.300 -0.135 0.000 0.973 964 R HN 0.711 nan 8.270 nan 0.000 0.438 965 L N 3.131 124.233 121.223 -0.202 0.000 2.585 965 L HA 0.137 4.477 4.340 -0.001 0.000 0.226 965 L C 0.390 177.209 176.870 -0.086 0.000 1.113 965 L CA 0.043 54.789 54.840 -0.156 0.000 0.876 965 L CB 0.270 42.205 42.059 -0.208 0.000 1.072 965 L HN 0.711 nan 8.230 nan 0.000 0.468 966 T N -2.819 111.696 114.554 -0.065 0.000 2.885 966 T HA 0.443 4.792 4.350 -0.001 0.000 0.285 966 T C -0.187 174.506 174.700 -0.012 0.000 1.019 966 T CA -0.944 61.136 62.100 -0.033 0.000 1.010 966 T CB 2.378 71.233 68.868 -0.022 0.000 1.022 966 T HN -0.083 nan 8.240 nan 0.000 0.466 967 K N 0.915 121.314 120.400 -0.001 0.000 2.117 967 K HA 0.312 4.632 4.320 -0.001 0.000 0.240 967 K C 1.649 178.263 176.600 0.023 0.000 1.031 967 K CA -0.237 56.060 56.287 0.017 0.000 0.909 967 K CB 0.586 33.096 32.500 0.015 0.000 1.097 967 K HN 0.809 nan 8.250 nan 0.000 0.492 968 S N -0.631 115.091 115.700 0.037 0.000 2.447 968 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 968 S C 1.756 176.370 174.600 0.023 0.000 1.006 968 S CA 1.414 59.633 58.200 0.032 0.000 0.957 968 S CB -0.329 62.895 63.200 0.040 0.000 0.773 968 S HN 0.631 nan 8.310 nan 0.000 0.507 969 S N 1.279 116.992 115.700 0.021 0.000 2.607 969 S HA 0.466 4.936 4.470 -0.001 0.000 0.224 969 S C 0.721 175.329 174.600 0.012 0.000 0.969 969 S CA -0.028 58.183 58.200 0.017 0.000 0.927 969 S CB -0.550 62.660 63.200 0.018 0.000 0.772 969 S HN 0.750 nan 8.310 nan 0.000 0.533 970 A N 1.811 124.637 122.820 0.010 0.000 2.404 970 A HA 0.400 4.720 4.320 -0.001 0.000 0.273 970 A C 1.223 178.813 177.584 0.011 0.000 1.144 970 A CA -0.472 51.569 52.037 0.006 0.000 0.806 970 A CB 0.246 19.246 19.000 0.001 0.000 1.080 970 A HN 0.471 nan 8.150 nan 0.000 0.509 971 K N 1.872 122.277 120.400 0.009 0.000 2.063 971 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 971 K C 0.149 176.760 176.600 0.017 0.000 1.048 971 K CA 1.759 58.054 56.287 0.013 0.000 0.928 971 K CB -0.050 32.455 32.500 0.009 0.000 0.713 971 K HN 0.646 nan 8.250 nan 0.000 0.442 972 T N 2.324 116.886 114.554 0.013 0.000 2.753 972 T HA 0.176 4.525 4.350 -0.001 0.000 0.297 972 T C -0.873 173.842 174.700 0.024 0.000 0.981 972 T CA -0.658 61.452 62.100 0.017 0.000 0.956 972 T CB 1.425 70.295 68.868 0.003 0.000 0.936 972 T HN 0.084 nan 8.240 nan 0.000 0.463 973 Q N 2.847 122.679 119.800 0.054 0.000 2.327 973 Q HA 0.382 4.722 4.340 -0.001 0.000 0.254 973 Q C 0.070 176.124 176.000 0.090 0.000 0.952 973 Q CA 0.115 55.955 55.803 0.062 0.000 0.884 973 Q CB 1.231 30.013 28.738 0.073 0.000 1.224 973 Q HN 0.552 nan 8.270 nan 0.000 0.422 974 R N 0.476 120.995 120.500 0.032 0.000 2.621 974 R HA 0.665 5.005 4.340 -0.001 0.000 0.292 974 R C -1.041 175.214 176.300 -0.074 0.000 0.969 974 R CA -0.689 55.414 56.100 0.005 0.000 0.887 974 R CB 1.807 32.078 30.300 -0.050 0.000 1.180 974 R HN 0.241 nan 8.270 nan 0.000 0.450 975 V N 1.571 121.438 119.914 -0.078 0.000 2.531 975 V HA 0.581 4.701 4.120 -0.001 0.000 0.301 975 V C 0.204 176.035 176.094 -0.438 0.000 1.034 975 V CA -0.847 61.279 62.300 -0.290 0.000 0.865 975 V CB 2.015 33.673 31.823 -0.274 0.000 0.995 975 V HN 0.950 nan 8.190 nan 0.000 0.424 976 G N 3.019 111.352 108.800 -0.779 0.000 2.367 976 G HA2 0.656 4.616 3.960 -0.001 0.000 0.314 976 G HA3 0.656 4.616 3.960 -0.001 0.000 0.314 976 G C -1.643 172.802 174.900 -0.759 0.000 1.130 976 G CA -0.273 44.190 45.100 -1.062 0.000 0.864 976 G HN 0.503 nan 8.290 nan 0.000 0.486 977 Y N 0.195 120.549 120.300 0.088 0.000 2.442 977 Y HA 0.464 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.162 176.003 175.900 0.441 0.000 0.976 977 Y CA -0.876 57.379 58.100 0.259 0.000 1.040 977 Y CB 2.744 41.332 38.460 0.212 0.000 1.228 977 Y HN 0.352 nan 8.280 nan 0.000 0.451 978 V N 5.040 125.251 119.914 0.495 0.000 2.384 978 V HA 0.388 4.508 4.120 -0.001 0.000 0.287 978 V C -0.449 175.878 176.094 0.388 0.000 1.020 978 V CA -0.745 61.776 62.300 0.368 0.000 0.850 978 V CB 1.521 33.514 31.823 0.283 0.000 0.987 978 V HN 0.623 nan 8.190 nan 0.000 0.436 979 L N 4.691 126.127 121.223 0.355 0.000 2.313 979 L HA 0.598 4.938 4.340 -0.001 0.000 0.283 979 L C -0.882 176.192 176.870 0.340 0.000 1.013 979 L CA -0.576 54.471 54.840 0.345 0.000 0.816 979 L CB 1.625 43.891 42.059 0.344 0.000 1.236 979 L HN 0.769 nan 8.230 nan 0.000 0.419 980 H N 4.199 123.426 119.070 0.262 0.000 2.600 980 H HA 0.482 5.038 4.556 -0.001 0.000 0.357 980 H C -1.157 174.262 175.328 0.152 0.000 1.106 980 H CA -0.617 55.554 56.048 0.204 0.000 1.193 980 H CB 1.572 31.526 29.762 0.322 0.000 1.594 980 H HN 0.466 nan 8.280 nan 0.000 0.526 981 R N 4.107 124.217 120.500 -0.650 0.000 2.437 981 R HA 0.324 4.664 4.340 -0.001 0.000 0.310 981 R C -0.458 175.419 176.300 -0.704 0.000 0.955 981 R CA -0.512 55.320 56.100 -0.447 0.000 0.851 981 R CB 1.548 31.712 30.300 -0.227 0.000 1.161 981 R HN 0.786 nan 8.270 nan 0.000 0.446 982 T N 1.351 115.665 114.554 -0.400 0.000 2.833 982 T HA 0.217 4.566 4.350 -0.001 0.000 0.292 982 T C -0.551 173.984 174.700 -0.275 0.000 1.031 982 T CA -0.443 61.516 62.100 -0.235 0.000 0.937 982 T CB 0.611 69.432 68.868 -0.078 0.000 1.256 982 T HN 0.668 nan 8.240 nan 0.000 0.551 983 N N 0.457 119.023 118.700 -0.223 0.000 2.410 983 N HA 0.470 5.210 4.740 -0.001 0.000 0.287 983 N C -1.539 173.821 175.510 -0.250 0.000 1.044 983 N CA -0.497 52.358 53.050 -0.325 0.000 0.881 983 N CB 0.735 38.866 38.487 -0.593 0.000 1.405 983 N HN 0.489 nan 8.380 nan 0.000 0.490 984 L N 2.693 123.757 121.223 -0.265 0.000 2.325 984 L HA 0.545 4.885 4.340 -0.001 0.000 0.278 984 L C 0.491 177.237 176.870 -0.206 0.000 1.023 984 L CA -0.949 53.767 54.840 -0.207 0.000 0.811 984 L CB 1.642 43.580 42.059 -0.201 0.000 1.249 984 L HN 0.401 nan 8.230 nan 0.000 0.431 985 M N 2.173 121.672 119.600 -0.169 0.000 2.245 985 M HA 0.093 4.572 4.480 -0.001 0.000 0.344 985 M C -0.137 176.076 176.300 -0.146 0.000 1.170 985 M CA 0.221 55.423 55.300 -0.163 0.000 1.135 985 M CB 0.425 32.935 32.600 -0.149 0.000 1.574 985 M HN 0.491 nan 8.290 nan 0.000 0.452 986 Q N 2.102 121.820 119.800 -0.136 0.000 2.349 986 Q HA 0.209 4.549 4.340 -0.001 0.000 0.254 986 Q C -0.363 175.578 176.000 -0.098 0.000 0.980 986 Q CA -0.151 55.584 55.803 -0.113 0.000 0.924 986 Q CB 0.990 29.663 28.738 -0.107 0.000 1.209 986 Q HN 0.810 nan 8.270 nan 0.000 0.445 987 c N 1.122 119.667 118.600 -0.092 0.000 3.115 987 c HA 0.366 4.935 4.570 -0.001 0.000 0.277 987 c C 1.331 175.380 174.090 -0.069 0.000 1.460 987 c CA 0.073 56.353 56.329 -0.082 0.000 1.789 987 c CB -0.449 42.007 42.510 -0.090 0.000 2.674 987 c HN 1.112 nan 8.230 nan 0.000 0.582 988 G N 1.154 109.914 108.800 -0.067 0.000 2.176 988 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.232 988 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.232 988 G C 0.059 174.924 174.900 -0.058 0.000 0.986 988 G CA 0.311 45.376 45.100 -0.058 0.000 0.643 988 G HN 0.437 nan 8.290 nan 0.000 0.522 989 T N 3.175 117.690 114.554 -0.065 0.000 2.761 989 T HA 0.494 4.844 4.350 -0.001 0.000 0.296 989 T C -1.686 172.971 174.700 -0.072 0.000 0.934 989 T CA -0.460 61.601 62.100 -0.064 0.000 1.091 989 T CB 1.456 70.284 68.868 -0.067 0.000 0.896 989 T HN 0.175 nan 8.240 nan 0.000 0.515 990 P HA 0.105 nan 4.420 nan 0.000 0.266 990 P C 0.980 178.218 177.300 -0.103 0.000 1.195 990 P CA -0.231 62.821 63.100 -0.080 0.000 0.768 990 P CB 0.739 32.393 31.700 -0.076 0.000 0.838 991 E N 2.879 123.016 120.200 -0.104 0.000 2.019 991 E HA -0.260 4.090 4.350 -0.001 0.000 0.208 991 E C -0.194 176.301 176.600 -0.174 0.000 1.030 991 E CA 1.384 57.714 56.400 -0.118 0.000 0.856 991 E CB 0.065 29.707 29.700 -0.098 0.000 0.781 991 E HN 0.493 nan 8.360 nan 0.000 0.471 992 E N -1.985 118.079 120.200 -0.227 0.000 8.065 992 E HA -0.158 4.191 4.350 -0.001 0.000 0.516 992 E C 0.423 176.816 176.600 -0.345 0.000 1.187 992 E CA 0.665 56.787 56.400 -0.463 0.000 2.395 992 E CB -1.001 28.321 29.700 -0.629 0.000 0.949 992 E HN 0.649 nan 8.360 nan 0.000 0.262 993 H N 0.531 119.595 119.070 -0.011 0.000 1.457 993 H HA -0.318 4.238 4.556 -0.001 0.000 0.090 993 H C 0.896 176.229 175.328 0.009 0.000 0.945 993 H CA 3.047 59.094 56.048 -0.001 0.000 1.900 993 H CB -1.252 28.511 29.762 0.003 0.000 2.257 993 H HN 1.156 nan 8.280 nan 0.000 0.961 994 T N -1.659 113.018 114.554 0.204 0.000 0.541 994 T HA -0.238 4.112 4.350 -0.001 0.000 0.774 994 T C -0.543 174.214 174.700 0.095 0.000 0.992 994 T CA 0.838 63.017 62.100 0.133 0.000 4.077 994 T CB -0.413 68.508 68.868 0.087 0.000 2.303 994 T HN 0.701 nan 8.240 nan 0.000 0.398 995 Q N 1.176 121.033 119.800 0.095 0.000 2.297 995 Q HA 0.605 4.944 4.340 -0.001 0.000 0.268 995 Q C 0.019 176.048 176.000 0.049 0.000 1.045 995 Q CA -1.221 54.622 55.803 0.066 0.000 0.861 995 Q CB 1.702 30.483 28.738 0.073 0.000 1.344 995 Q HN 0.812 nan 8.270 nan 0.000 0.452 996 K N 1.340 121.755 120.400 0.025 0.000 2.401 996 K HA 0.149 4.468 4.320 -0.001 0.000 0.278 996 K C -1.074 175.530 176.600 0.007 0.000 1.018 996 K CA -0.305 55.987 56.287 0.009 0.000 0.981 996 K CB 0.373 32.866 32.500 -0.011 0.000 0.933 996 K HN 0.421 nan 8.250 nan 0.000 0.477 997 L N 4.695 125.920 121.223 0.003 0.000 2.265 997 L HA 0.285 4.625 4.340 -0.001 0.000 0.289 997 L C -1.197 175.637 176.870 -0.060 0.000 1.033 997 L CA -0.036 54.797 54.840 -0.010 0.000 0.814 997 L CB 1.183 43.250 42.059 0.014 0.000 1.203 997 L HN 0.641 nan 8.230 nan 0.000 0.423 998 D N 3.572 123.926 120.400 -0.075 0.000 2.472 998 D HA 0.144 4.784 4.640 -0.001 0.000 0.234 998 D C 1.090 177.282 176.300 -0.179 0.000 1.088 998 D CA -0.281 53.648 54.000 -0.119 0.000 0.882 998 D CB 1.179 41.955 40.800 -0.040 0.000 1.037 998 D HN 0.381 nan 8.370 nan 0.000 0.520 999 V N 1.322 121.034 119.914 -0.337 0.000 2.720 999 V HA -0.174 3.946 4.120 -0.001 0.000 0.256 999 V C 2.090 177.821 176.094 -0.604 0.000 1.082 999 V CA 1.039 62.957 62.300 -0.637 0.000 1.101 999 V CB -1.069 30.144 31.823 -1.016 0.000 0.693 999 V HN 0.595 nan 8.190 nan 0.000 0.479 1000 c N 0.511 118.903 118.600 -0.347 0.000 2.456 1000 c HA 0.049 4.618 4.570 -0.001 0.000 0.279 1000 c C 2.070 176.004 174.090 -0.261 0.000 1.427 1000 c CA 1.147 57.335 56.329 -0.235 0.000 1.778 1000 c CB -1.711 40.658 42.510 -0.235 0.000 1.842 1000 c HN 0.774 nan 8.230 nan 0.000 0.531 1001 H N -0.981 118.045 119.070 -0.073 0.000 2.505 1001 H HA 0.271 4.826 4.556 -0.001 0.000 0.286 1001 H C 1.657 177.006 175.328 0.035 0.000 1.072 1001 H CA -0.006 56.046 56.048 0.008 0.000 1.141 1001 H CB 0.067 29.819 29.762 -0.016 0.000 1.550 1001 H HN 0.340 nan 8.280 nan 0.000 0.547 1002 L N -0.166 121.093 121.223 0.060 0.000 2.217 1002 L HA 0.026 4.365 4.340 -0.001 0.000 0.211 1002 L C 0.123 177.129 176.870 0.226 0.000 1.107 1002 L CA 0.814 55.727 54.840 0.122 0.000 0.783 1002 L CB 0.180 42.274 42.059 0.059 0.000 0.919 1002 L HN 0.204 nan 8.230 nan 0.000 0.442 1003 L N 0.018 121.333 121.223 0.153 0.000 2.331 1003 L HA 0.406 4.746 4.340 -0.001 0.000 0.275 1003 L C -2.103 174.818 176.870 0.085 0.000 1.022 1003 L CA -1.972 52.897 54.840 0.049 0.000 0.812 1003 L CB 1.605 43.468 42.059 -0.327 0.000 1.257 1003 L HN -0.207 nan 8.230 nan 0.000 0.435 1004 P HA 0.096 nan 4.420 nan 0.000 0.274 1004 P C -0.878 176.551 177.300 0.215 0.000 1.256 1004 P CA -0.220 62.957 63.100 0.128 0.000 0.795 1004 P CB 0.524 32.275 31.700 0.085 0.000 1.038 1005 N N -2.651 116.149 118.700 0.167 0.000 2.758 1005 N HA -0.130 4.610 4.740 -0.001 0.000 0.248 1005 N C -0.144 175.445 175.510 0.133 0.000 1.076 1005 N CA 0.410 53.545 53.050 0.141 0.000 0.696 1005 N CB -2.123 36.440 38.487 0.128 0.000 0.979 1005 N HN 0.320 nan 8.380 nan 0.000 0.550 1006 V N 0.106 120.046 119.914 0.043 0.000 2.521 1006 V HA 0.422 4.542 4.120 -0.001 0.000 0.286 1006 V C 1.370 177.359 176.094 -0.174 0.000 1.034 1006 V CA 0.890 63.043 62.300 -0.244 0.000 1.045 1006 V CB 1.192 32.780 31.823 -0.391 0.000 0.974 1006 V HN 0.460 nan 8.190 nan 0.000 0.480 1007 A N 7.134 129.829 122.820 -0.210 0.000 2.108 1007 A HA 0.444 4.764 4.320 -0.001 0.000 0.206 1007 A C 1.082 178.618 177.584 -0.079 0.000 1.212 1007 A CA 0.127 52.105 52.037 -0.097 0.000 0.843 1007 A CB 0.227 19.186 19.000 -0.068 0.000 0.902 1007 A HN 0.753 nan 8.150 nan 0.000 0.477 1008 R N -1.593 118.821 120.500 -0.142 0.000 2.629 1008 R HA 0.486 4.826 4.340 -0.001 0.000 0.266 1008 R C -2.302 173.915 176.300 -0.138 0.000 1.051 1008 R CA -0.385 55.668 56.100 -0.077 0.000 0.895 1008 R CB 1.584 31.897 30.300 0.022 0.000 1.246 1008 R HN 0.290 nan 8.270 nan 0.000 0.459 1009 c N 3.051 121.566 118.600 -0.143 0.000 2.431 1009 c HA 0.623 5.193 4.570 -0.001 0.000 0.321 1009 c C -1.247 172.812 174.090 -0.051 0.000 1.202 1009 c CA -0.308 55.959 56.329 -0.104 0.000 1.398 1009 c CB 1.279 43.703 42.510 -0.144 0.000 2.047 1009 c HN 0.756 nan 8.230 nan 0.000 0.465 1010 E N 3.675 123.919 120.200 0.073 0.000 2.234 1010 E HA 0.344 4.694 4.350 -0.001 0.000 0.266 1010 E C -0.821 175.920 176.600 0.236 0.000 0.877 1010 E CA -0.503 55.975 56.400 0.130 0.000 0.758 1010 E CB 2.222 31.997 29.700 0.126 0.000 1.170 1010 E HN 0.741 nan 8.360 nan 0.000 0.415 1011 R N 1.257 121.891 120.500 0.223 0.000 2.390 1011 R HA 0.332 4.671 4.340 -0.001 0.000 0.291 1011 R C -0.075 176.261 176.300 0.059 0.000 1.070 1011 R CA 0.174 56.358 56.100 0.139 0.000 1.014 1011 R CB 0.568 30.933 30.300 0.109 0.000 1.007 1011 R HN 0.667 nan 8.270 nan 0.000 0.466 1012 T N -0.355 114.206 114.554 0.012 0.000 2.864 1012 T HA 0.352 4.701 4.350 -0.001 0.000 0.289 1012 T C 0.032 174.718 174.700 -0.025 0.000 1.082 1012 T CA -0.766 61.361 62.100 0.045 0.000 1.009 1012 T CB 1.325 70.294 68.868 0.167 0.000 1.234 1012 T HN 0.615 nan 8.240 nan 0.000 0.526 1013 T N 0.247 114.789 114.554 -0.019 0.000 2.795 1013 T HA 0.234 4.584 4.350 -0.001 0.000 0.314 1013 T C 1.683 176.296 174.700 -0.145 0.000 1.069 1013 T CA -0.725 61.338 62.100 -0.061 0.000 1.071 1013 T CB -0.072 68.778 68.868 -0.030 0.000 0.988 1013 T HN 0.573 nan 8.240 nan 0.000 0.543 1014 L N 0.977 122.094 121.223 -0.176 0.000 2.353 1014 L HA -0.053 4.286 4.340 -0.001 0.000 0.220 1014 L C 2.791 179.334 176.870 -0.546 0.000 1.133 1014 L CA 1.481 56.143 54.840 -0.295 0.000 0.798 1014 L CB -1.167 40.812 42.059 -0.134 0.000 0.922 1014 L HN 0.973 nan 8.230 nan 0.000 0.445 1015 T N -4.856 109.488 114.554 -0.350 0.000 3.129 1015 T HA 0.068 4.417 4.350 -0.001 0.000 0.251 1015 T C 0.825 175.383 174.700 -0.236 0.000 1.117 1015 T CA -0.247 61.676 62.100 -0.294 0.000 1.034 1015 T CB -0.320 68.517 68.868 -0.052 0.000 0.968 1015 T HN 0.315 nan 8.240 nan 0.000 0.526 1016 F N -0.620 119.342 119.950 0.020 0.000 2.871 1016 F HA -0.236 4.291 4.527 -0.001 0.000 0.326 1016 F C 1.148 176.950 175.800 0.004 0.000 0.675 1016 F CA 0.170 58.175 58.000 0.008 0.000 1.188 1016 F CB -2.185 36.816 39.000 0.001 0.000 1.567 1016 F HN 0.211 nan 8.300 nan 0.000 0.325 1017 L N -0.560 120.737 121.223 0.124 0.000 2.418 1017 L HA 0.034 4.373 4.340 -0.001 0.000 0.218 1017 L C 1.065 177.964 176.870 0.047 0.000 1.125 1017 L CA 1.113 55.999 54.840 0.076 0.000 0.835 1017 L CB 0.011 42.096 42.059 0.044 0.000 0.953 1017 L HN 0.353 nan 8.230 nan 0.000 0.454 1018 Q N 0.430 120.257 119.800 0.046 0.000 2.305 1018 Q HA 0.264 4.603 4.340 -0.001 0.000 0.271 1018 Q C -1.155 174.870 176.000 0.042 0.000 1.046 1018 Q CA -0.724 55.095 55.803 0.027 0.000 0.798 1018 Q CB 1.846 30.585 28.738 0.002 0.000 1.286 1018 Q HN 0.075 nan 8.270 nan 0.000 0.435 1019 N N 4.248 122.975 118.700 0.044 0.000 2.470 1019 N HA 0.176 4.916 4.740 -0.001 0.000 0.268 1019 N C 0.240 175.776 175.510 0.043 0.000 1.136 1019 N CA 0.275 53.359 53.050 0.057 0.000 0.961 1019 N CB 1.007 39.531 38.487 0.062 0.000 1.067 1019 N HN 0.648 nan 8.380 nan 0.000 0.468 1020 L N 0.493 121.743 121.223 0.046 0.000 2.642 1020 L HA 0.323 4.662 4.340 -0.001 0.000 0.233 1020 L C 0.528 177.429 176.870 0.052 0.000 1.077 1020 L CA 0.288 55.148 54.840 0.033 0.000 0.879 1020 L CB 0.389 42.455 42.059 0.012 0.000 1.151 1020 L HN 0.516 nan 8.230 nan 0.000 0.495 1021 E N -0.440 119.807 120.200 0.079 0.000 2.347 1021 E HA 0.142 4.492 4.350 -0.001 0.000 0.285 1021 E C -1.391 175.288 176.600 0.131 0.000 0.925 1021 E CA -0.619 55.840 56.400 0.098 0.000 0.779 1021 E CB 1.535 31.286 29.700 0.085 0.000 1.233 1021 E HN 0.059 nan 8.360 nan 0.000 0.414 1022 H N 4.569 123.667 119.070 0.045 0.000 2.668 1022 H HA 0.358 4.914 4.556 -0.001 0.000 0.303 1022 H C -0.885 174.469 175.328 0.044 0.000 1.074 1022 H CA 0.047 56.119 56.048 0.039 0.000 1.406 1022 H CB 0.405 30.181 29.762 0.023 0.000 1.442 1022 H HN 0.328 nan 8.280 nan 0.000 0.482 1023 L N 4.978 125.992 121.223 -0.349 0.000 2.275 1023 L HA 0.213 4.553 4.340 -0.001 0.000 0.288 1023 L C 0.124 176.843 176.870 -0.251 0.000 1.046 1023 L CA -0.946 53.772 54.840 -0.203 0.000 0.805 1023 L CB 0.975 42.973 42.059 -0.102 0.000 1.193 1023 L HN 0.650 nan 8.230 nan 0.000 0.426 1024 D N 2.723 123.056 120.400 -0.111 0.000 2.488 1024 D HA 0.116 4.755 4.640 -0.001 0.000 0.238 1024 D C 1.211 177.479 176.300 -0.053 0.000 1.138 1024 D CA 1.309 55.273 54.000 -0.060 0.000 0.873 1024 D CB 1.186 41.978 40.800 -0.013 0.000 1.183 1024 D HN 0.849 nan 8.370 nan 0.000 0.458 1025 G N 2.792 111.575 108.800 -0.029 0.000 2.166 1025 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.260 1025 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.260 1025 G C 0.754 175.679 174.900 0.041 0.000 0.986 1025 G CA 0.580 45.682 45.100 0.003 0.000 0.683 1025 G HN 0.590 nan 8.290 nan 0.000 0.527 1026 M N -2.599 116.980 119.600 -0.034 0.000 2.576 1026 M HA -0.163 4.317 4.480 -0.001 0.000 0.200 1026 M C 0.307 176.623 176.300 0.027 0.000 0.487 1026 M CA 1.030 56.297 55.300 -0.055 0.000 0.553 1026 M CB -1.740 30.822 32.600 -0.063 0.000 2.042 1026 M HN 0.380 nan 8.290 nan 0.000 0.758 1027 V N 0.502 120.412 119.914 -0.006 0.000 2.398 1027 V HA 0.799 4.918 4.120 -0.001 0.000 0.286 1027 V C 0.616 176.616 176.094 -0.157 0.000 1.026 1027 V CA -0.489 61.799 62.300 -0.020 0.000 0.868 1027 V CB 1.826 33.630 31.823 -0.031 0.000 0.982 1027 V HN 0.384 nan 8.190 nan 0.000 0.443 1028 A N 7.846 130.494 122.820 -0.285 0.000 2.260 1028 A HA 0.762 5.081 4.320 -0.001 0.000 0.312 1028 A C -2.477 174.815 177.584 -0.485 0.000 1.321 1028 A CA -1.539 50.095 52.037 -0.672 0.000 0.928 1028 A CB 0.153 18.456 19.000 -1.161 0.000 1.158 1028 A HN 0.629 nan 8.150 nan 0.000 0.542 1029 P HA 0.164 nan 4.420 nan 0.000 0.269 1029 P C -0.059 177.222 177.300 -0.031 0.000 1.215 1029 P CA -0.095 62.950 63.100 -0.091 0.000 0.780 1029 P CB 0.591 32.298 31.700 0.012 0.000 0.898 1030 E N -0.245 119.959 120.200 0.007 0.000 2.342 1030 E HA 0.294 4.644 4.350 -0.001 0.000 0.257 1030 E C 0.067 176.722 176.600 0.092 0.000 1.150 1030 E CA -0.903 55.530 56.400 0.054 0.000 0.926 1030 E CB 0.568 30.282 29.700 0.023 0.000 1.074 1030 E HN 0.294 nan 8.360 nan 0.000 0.449 1031 V N -1.756 118.215 119.914 0.094 0.000 3.211 1031 V HA 0.410 4.529 4.120 -0.001 0.000 0.319 1031 V C 0.066 176.164 176.094 0.006 0.000 1.096 1031 V CA -1.004 61.337 62.300 0.069 0.000 1.029 1031 V CB 1.277 33.145 31.823 0.076 0.000 1.137 1031 V HN 0.741 nan 8.190 nan 0.000 0.453 1032 c N 1.534 120.131 118.600 -0.005 0.000 2.500 1032 c HA 0.498 5.068 4.570 -0.001 0.000 0.367 1032 c C -2.176 171.857 174.090 -0.096 0.000 1.283 1032 c CA -0.459 55.848 56.329 -0.037 0.000 2.456 1032 c CB 0.195 42.700 42.510 -0.007 0.000 2.457 1032 c HN 0.810 nan 8.230 nan 0.000 0.632 1033 P HA 0.051 nan 4.420 nan 0.000 0.264 1033 P C 0.263 177.401 177.300 -0.269 0.000 1.193 1033 P CA 1.021 63.982 63.100 -0.231 0.000 0.763 1033 P CB 0.176 31.723 31.700 -0.256 0.000 0.810 1034 M N -1.329 118.061 119.600 -0.351 0.000 2.939 1034 M HA -0.201 4.278 4.480 -0.001 0.000 0.194 1034 M C 0.177 176.445 176.300 -0.053 0.000 0.617 1034 M CA 1.127 56.194 55.300 -0.388 0.000 0.734 1034 M CB -2.259 29.799 32.600 -0.904 0.000 2.637 1034 M HN 0.402 nan 8.290 nan 0.000 0.316 1035 E N 0.433 120.607 120.200 -0.043 0.000 2.250 1035 E HA 0.757 5.106 4.350 -0.001 0.000 0.265 1035 E C -0.438 176.223 176.600 0.102 0.000 1.033 1035 E CA 0.095 56.561 56.400 0.110 0.000 0.888 1035 E CB 1.218 30.948 29.700 0.050 0.000 1.151 1035 E HN 0.169 nan 8.360 nan 0.000 0.412 1036 T N 0.945 115.575 114.554 0.127 0.000 2.971 1036 T HA 0.800 5.149 4.350 -0.001 0.000 0.304 1036 T C -1.241 173.465 174.700 0.010 0.000 1.038 1036 T CA -0.545 61.637 62.100 0.136 0.000 1.007 1036 T CB 1.418 70.380 68.868 0.157 0.000 1.055 1036 T HN 0.515 nan 8.240 nan 0.000 0.451 1037 A N 1.940 124.765 122.820 0.007 0.000 2.469 1037 A HA 1.010 5.329 4.320 -0.001 0.000 0.299 1037 A C -0.993 176.464 177.584 -0.212 0.000 1.098 1037 A CA -0.935 50.998 52.037 -0.172 0.000 0.737 1037 A CB 1.535 20.375 19.000 -0.267 0.000 1.312 1037 A HN 1.126 nan 8.150 nan 0.000 0.414 1038 A N 0.260 122.870 122.820 -0.349 0.000 2.365 1038 A HA 0.809 5.128 4.320 -0.001 0.000 0.318 1038 A C -1.467 175.938 177.584 -0.298 0.000 1.091 1038 A CA -0.347 51.615 52.037 -0.125 0.000 0.763 1038 A CB 0.681 19.639 19.000 -0.069 0.000 1.248 1038 A HN 0.819 nan 8.150 nan 0.000 0.442 1039 Y N 0.232 120.749 120.300 0.362 0.000 2.512 1039 Y HA 0.589 5.138 4.550 -0.001 0.000 0.348 1039 Y C -0.235 175.829 175.900 0.272 0.000 0.990 1039 Y CA -0.951 57.306 58.100 0.261 0.000 1.033 1039 Y CB 2.607 41.172 38.460 0.175 0.000 1.259 1039 Y HN 0.407 nan 8.280 nan 0.000 0.461 1040 V N 2.300 122.406 119.914 0.321 0.000 2.483 1040 V HA 0.443 4.562 4.120 -0.001 0.000 0.297 1040 V C -0.747 175.417 176.094 0.116 0.000 1.027 1040 V CA -0.884 61.496 62.300 0.133 0.000 0.855 1040 V CB 1.745 33.590 31.823 0.037 0.000 0.995 1040 V HN 0.820 nan 8.190 nan 0.000 0.424 1041 S N 3.372 119.149 115.700 0.128 0.000 2.489 1041 S HA 0.723 5.192 4.470 -0.001 0.000 0.291 1041 S C -0.250 174.275 174.600 -0.125 0.000 1.151 1041 S CA -0.599 57.597 58.200 -0.005 0.000 1.082 1041 S CB 1.643 64.904 63.200 0.101 0.000 1.019 1041 S HN 0.547 nan 8.310 nan 0.000 0.492 1042 S N 2.593 118.107 115.700 -0.311 0.000 2.475 1042 S HA 0.517 4.986 4.470 -0.001 0.000 0.298 1042 S C -0.812 173.453 174.600 -0.559 0.000 1.119 1042 S CA -0.758 57.295 58.200 -0.244 0.000 1.085 1042 S CB 0.437 63.567 63.200 -0.116 0.000 1.028 1042 S HN 0.779 nan 8.310 nan 0.000 0.489 1043 H N 0.867 119.926 119.070 -0.019 0.000 2.600 1043 H HA 0.414 4.970 4.556 -0.001 0.000 0.357 1043 H C -0.167 175.157 175.328 -0.006 0.000 1.106 1043 H CA -0.601 55.439 56.048 -0.014 0.000 1.193 1043 H CB 1.765 31.520 29.762 -0.012 0.000 1.594 1043 H HN 0.636 nan 8.280 nan 0.000 0.526 1044 S N 0.000 115.743 115.700 0.072 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.229 58.200 0.048 0.000 1.107 1044 S CB 0.000 63.217 63.200 0.028 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517