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 2b39_1_A DATA FIRST_RESID 30 DATA SEQUENCE TPNILRLESE ETVVLEAHGG QGTIQVSVTV HDFPAKKQVL SNENTQLNSN DATA SEQUENCE NGYLSTVTIK IPASKELKSD KGHKFVTVVA TFGNVQVEKV VLISLQSGYL DATA SEQUENCE FIQTDKTIYT PGSTVLYRVF TVDHKLLPVG QTVFITIETP DGIPVKRDSK DATA SEQUENCE SSQNQFGILT LSWNIPELVN MGVWKIKAYY EDSPQQVFSA EFEVKEYVLP DATA SEQUENCE SFEVQLEPEE KFYYIDDPDG LKVNIIARFL YGEQVDGTAF VIFGVQDGDR DATA SEQUENCE RISLTHSLTR VPINDGNGEA ILKRQVLLNG VQPSRADALV GKSIYVSATV DATA SEQUENCE ILQSGSDMVE AERTGIPIVT SPYQIHFTKT PKFFKPAMPF DLMVYVTNPD DATA SEQUENCE GSPARHIPVV TQGSNVQSLT QDDGVAKLSI NTQNKRDPLT ITVRTKKDNI DATA SEQUENCE PEGRQATRTM QALPYNTQGN SNNYLHLSVP RVELKPGETL NVNFHLRTDP DATA SEQUENCE GEQAKIRYYT YMIMNKGKLL KVGRQYREPG QDLVVLPLTI TSDFIPSFRL DATA SEQUENCE VAYYTLINAK GQREVVADSV WVDVKDScMG TLVVKNGGKE EKHHRPGQQI DATA SEQUENCE TLKIEADQGA RVGLVAVDKG VFVLNKKNKL TQRKIWDVVE KADIGcTPGS DATA SEQUENCE GRNYAGVFTD AGLTLKTSQG LETQQRADPQ cPQXXXXXXX SVQLMEKRMD DATA SEQUENCE KAGQYSSDLR KccEDGMRDN PMKFPcQRRA QFILQGDAcV KAFLDccEYI DATA SEQUENCE TQLRQQHSRD GALXXXXXXX DDDIIPEEDI ISRSQFPESW LWTVIEDLKQ DATA SEQUENCE ADKNGISTKL MNVFLKDSIT TWEILAVSLS DKKGIcVADP YEVTVMQDFF DATA SEQUENCE IDLRLPYSVV RNEQVEIRAI LYNYREAENL KVRVELLYNP AFcSLATAKK DATA SEQUENCE RHQQTITIPA RSSVAVPYVI VPLKIGLHEV EVKAAVYNHF ISDGVKKTLK DATA SEQUENCE VVPEGVRVNK TVAVRTLNPE HLGQGGVQRE EVPAADLSDQ VPDTESETKI DATA SEQUENCE LLQGTPVAQM TEDAIDGERL KHLIQTPSGC GEQNMIGMTP TVIAVHYLDS DATA SEQUENCE TDQWEKFGLE KRQESLELIR KGYTQQLAFR QKSSAYAAFQ YRPPSTWLTA DATA SEQUENCE YVVKVFALAA NLIAIDSKDL cETVKWLILE KQKPDGIFQE DGPVIHQEMI DATA SEQUENCE GGFRDTREKD VSLTAFVLIA LHEAKDIcEA QVNSLGRSIA KAGDFLENHY DATA SEQUENCE RELRRPYTVA IAAYALALLG KLEGDRLTKF LNTAKEKNRW EEPNQKLYNV DATA SEQUENCE EATSYALLAL LARKDYDTTP PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA DATA SEQUENCE QYQKDVPDHK ELNLDVSIQL PSRNSAVRHR ILWESASLLR SEETKENERF DATA SEQUENCE TVKAEGKGQG TLSVVTVYHA KLKGKVScKK FDLRVSIRPA PETVKKPQDA DATA SEQUENCE KGSMILDIcT KYLGDQDATM SILDISMMTG FSPDVEDLKT LSTGVDRYIS DATA SEQUENCE KYEMNRDSNK NTLIIYLDKV SHTVEDcLSF KVHQYFNVGL IQPGAVKVYS DATA SEQUENCE YYNLDETcIR FYHPDKEDGM LSKLcHKDTc RcAEENcFXX XXXXXXTLED DATA SEQUENCE RLDKAcEPGV DYVYKTRLIQ KKLEDDFDEY IMVIENIIKS GSDEVQVKQE DATA SEQUENCE RKFISHIKcR EALKLKEGAH YLVWGVSSDL WGEKPKISYI IGKDTWVELW DATA SEQUENCE PEAEEcQDEE NQKQcEDLAN FTENMVVFGc PN 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 30 T HA 0.000 nan 4.350 nan 0.000 0.228 30 T C 0.000 174.749 174.700 0.082 0.000 1.109 30 T CA 0.000 62.141 62.100 0.068 0.000 1.349 30 T CB 0.000 68.899 68.868 0.052 0.000 0.612 31 P HA 0.176 nan 4.420 nan 0.000 0.271 31 P C 0.510 177.862 177.300 0.086 0.000 1.233 31 P CA -0.218 62.936 63.100 0.090 0.000 0.789 31 P CB 0.767 32.516 31.700 0.080 0.000 0.951 32 N N 1.035 119.790 118.700 0.092 0.000 2.006 32 N HA -0.105 4.636 4.740 0.001 0.000 0.196 32 N C 0.256 175.819 175.510 0.088 0.000 1.057 32 N CA 1.477 54.581 53.050 0.090 0.000 0.853 32 N CB -0.516 38.027 38.487 0.092 0.000 1.051 32 N HN 0.336 nan 8.380 nan 0.000 0.423 33 I N 1.058 121.677 120.570 0.083 0.000 2.404 33 I HA 0.297 4.467 4.170 0.001 0.000 0.293 33 I C -0.155 176.004 176.117 0.069 0.000 0.992 33 I CA -0.432 60.912 61.300 0.072 0.000 1.149 33 I CB 1.989 40.026 38.000 0.062 0.000 1.315 33 I HN 0.054 nan 8.210 nan 0.000 0.446 34 L N 5.256 126.514 121.223 0.058 0.000 2.416 34 L HA 0.635 4.975 4.340 0.001 0.000 0.263 34 L C 0.144 177.040 176.870 0.042 0.000 1.065 34 L CA -0.872 54.002 54.840 0.056 0.000 0.798 34 L CB 1.100 43.190 42.059 0.053 0.000 1.267 34 L HN 0.543 nan 8.230 nan 0.000 0.467 35 R N 0.245 120.774 120.500 0.048 0.000 2.740 35 R HA 0.599 4.939 4.340 0.001 0.000 0.282 35 R C -1.353 174.957 176.300 0.018 0.000 0.969 35 R CA -0.732 55.385 56.100 0.029 0.000 0.918 35 R CB 1.520 31.866 30.300 0.077 0.000 1.175 35 R HN 0.495 nan 8.270 nan 0.000 0.464 36 L N 3.100 124.319 121.223 -0.007 0.000 2.375 36 L HA 0.168 4.508 4.340 0.001 0.000 0.271 36 L C 0.522 177.391 176.870 -0.002 0.000 1.107 36 L CA 0.047 54.885 54.840 -0.004 0.000 0.806 36 L CB 0.955 43.005 42.059 -0.016 0.000 1.146 36 L HN 0.868 nan 8.230 nan 0.000 0.447 37 E N 0.615 120.817 120.200 0.005 0.000 2.883 37 E HA -0.216 4.135 4.350 0.001 0.000 0.271 37 E C -0.337 176.273 176.600 0.016 0.000 1.049 37 E CA 1.068 57.472 56.400 0.006 0.000 0.817 37 E CB -1.035 28.662 29.700 -0.004 0.000 1.407 37 E HN 0.624 nan 8.360 nan 0.000 0.434 38 S N -0.657 115.059 115.700 0.026 0.000 2.513 38 S HA 0.502 4.972 4.470 0.001 0.000 0.299 38 S C -0.183 174.439 174.600 0.037 0.000 1.087 38 S CA -0.841 57.384 58.200 0.042 0.000 1.012 38 S CB 1.915 65.158 63.200 0.071 0.000 1.044 38 S HN 0.092 nan 8.310 nan 0.000 0.485 39 E N 2.603 122.823 120.200 0.034 0.000 2.159 39 E HA 0.154 4.505 4.350 0.001 0.000 0.272 39 E C -0.215 176.404 176.600 0.031 0.000 1.138 39 E CA -0.014 56.403 56.400 0.027 0.000 0.915 39 E CB 0.364 30.077 29.700 0.022 0.000 1.028 39 E HN 0.523 nan 8.360 nan 0.000 0.423 40 E N 1.770 121.989 120.200 0.032 0.000 2.212 40 E HA 0.233 4.583 4.350 0.001 0.000 0.270 40 E C -0.098 176.521 176.600 0.032 0.000 0.956 40 E CA -0.515 55.906 56.400 0.036 0.000 0.825 40 E CB 1.969 31.695 29.700 0.043 0.000 1.167 40 E HN 0.403 nan 8.360 nan 0.000 0.400 41 T N -1.163 113.411 114.554 0.034 0.000 2.829 41 T HA 0.551 4.901 4.350 0.001 0.000 0.280 41 T C -0.569 174.157 174.700 0.042 0.000 0.999 41 T CA -0.644 61.476 62.100 0.033 0.000 0.983 41 T CB 0.889 69.774 68.868 0.029 0.000 0.968 41 T HN 0.100 nan 8.240 nan 0.000 0.446 42 V N 4.398 124.336 119.914 0.040 0.000 2.555 42 V HA 0.514 4.635 4.120 0.001 0.000 0.302 42 V C -0.060 176.061 176.094 0.045 0.000 1.038 42 V CA -0.914 61.413 62.300 0.045 0.000 0.887 42 V CB 1.937 33.784 31.823 0.040 0.000 0.991 42 V HN 0.892 nan 8.190 nan 0.000 0.434 43 V N 6.003 125.952 119.914 0.058 0.000 2.385 43 V HA 0.416 4.536 4.120 0.001 0.000 0.269 43 V C -0.031 176.088 176.094 0.042 0.000 1.043 43 V CA -0.320 62.017 62.300 0.062 0.000 0.906 43 V CB 0.921 32.810 31.823 0.109 0.000 0.995 43 V HN 0.593 nan 8.190 nan 0.000 0.467 44 L N 4.893 126.124 121.223 0.014 0.000 2.322 44 L HA 0.737 5.077 4.340 0.001 0.000 0.279 44 L C -0.000 176.844 176.870 -0.042 0.000 1.036 44 L CA -0.294 54.520 54.840 -0.042 0.000 0.807 44 L CB 1.699 43.728 42.059 -0.050 0.000 1.226 44 L HN 0.657 nan 8.230 nan 0.000 0.433 45 E N 1.228 121.353 120.200 -0.126 0.000 2.380 45 E HA 0.593 4.944 4.350 0.001 0.000 0.281 45 E C -1.545 174.931 176.600 -0.205 0.000 0.999 45 E CA -0.728 55.656 56.400 -0.027 0.000 0.800 45 E CB 2.518 32.364 29.700 0.242 0.000 1.228 45 E HN 0.611 nan 8.360 nan 0.000 0.436 46 A N 2.565 125.380 122.820 -0.009 0.000 2.815 46 A HA 0.378 4.699 4.320 0.001 0.000 0.318 46 A C -1.308 176.430 177.584 0.257 0.000 1.186 46 A CA -0.686 51.320 52.037 -0.051 0.000 0.754 46 A CB 0.082 19.001 19.000 -0.136 0.000 1.151 46 A HN 0.512 nan 8.150 nan 0.000 0.452 47 H N 1.113 120.266 119.070 0.138 0.000 3.138 47 H HA 0.332 4.888 4.556 0.001 0.000 0.275 47 H C 1.391 176.842 175.328 0.204 0.000 0.997 47 H CA 1.017 57.206 56.048 0.235 0.000 1.460 47 H CB 0.057 29.974 29.762 0.257 0.000 1.524 47 H HN 1.337 nan 8.280 nan 0.000 0.532 48 G N 2.784 111.803 108.800 0.365 0.000 2.326 48 G HA2 -0.156 3.804 3.960 0.001 0.000 0.286 48 G HA3 -0.156 3.804 3.960 0.001 0.000 0.286 48 G C 0.740 175.746 174.900 0.177 0.000 1.096 48 G CA -0.015 45.242 45.100 0.262 0.000 1.003 48 G HN 0.990 nan 8.290 nan 0.000 0.503 49 G N -0.900 108.004 108.800 0.174 0.000 2.599 49 G HA2 0.591 4.551 3.960 0.001 0.000 0.264 49 G HA3 0.591 4.551 3.960 0.001 0.000 0.264 49 G C 0.823 175.482 174.900 -0.401 0.000 1.200 49 G CA 0.489 45.409 45.100 -0.300 0.000 0.896 49 G HN 0.884 nan 8.290 nan 0.000 0.536 50 Q N 0.079 119.598 119.800 -0.468 0.000 1.669 50 Q HA 0.326 4.666 4.340 0.001 0.000 0.410 50 Q C 1.827 177.776 176.000 -0.085 0.000 0.936 50 Q CA 0.988 56.670 55.803 -0.203 0.000 0.895 50 Q CB -0.186 28.483 28.738 -0.114 0.000 0.941 50 Q HN 0.550 nan 8.270 nan 0.000 0.409 51 G N -0.161 108.600 108.800 -0.065 0.000 2.868 51 G HA2 0.192 4.153 3.960 0.001 0.000 0.201 51 G HA3 0.192 4.153 3.960 0.001 0.000 0.201 51 G C -0.094 174.887 174.900 0.137 0.000 1.130 51 G CA 0.563 45.722 45.100 0.098 0.000 0.777 51 G HN 0.585 nan 8.290 nan 0.000 0.680 52 T N -0.527 114.045 114.554 0.029 0.000 2.991 52 T HA 0.675 5.026 4.350 0.001 0.000 0.303 52 T C -1.363 173.332 174.700 -0.009 0.000 1.015 52 T CA -0.466 61.666 62.100 0.054 0.000 1.007 52 T CB 2.026 70.931 68.868 0.062 0.000 1.034 52 T HN 0.067 nan 8.240 nan 0.000 0.446 53 I N 2.313 122.881 120.570 -0.004 0.000 2.439 53 I HA 0.366 4.536 4.170 0.001 0.000 0.283 53 I C 0.166 176.329 176.117 0.076 0.000 1.023 53 I CA -0.599 60.713 61.300 0.020 0.000 1.100 53 I CB 1.959 39.952 38.000 -0.011 0.000 1.238 53 I HN 0.668 nan 8.210 nan 0.000 0.445 54 Q N 4.583 124.430 119.800 0.077 0.000 2.327 54 Q HA 0.583 4.923 4.340 0.001 0.000 0.254 54 Q C -0.856 175.217 176.000 0.122 0.000 0.952 54 Q CA -0.320 55.531 55.803 0.080 0.000 0.884 54 Q CB 1.358 30.128 28.738 0.053 0.000 1.224 54 Q HN 0.574 nan 8.270 nan 0.000 0.422 55 V N 1.371 121.353 119.914 0.114 0.000 3.166 55 V HA 0.777 4.898 4.120 0.001 0.000 0.317 55 V C -0.653 175.499 176.094 0.095 0.000 1.136 55 V CA -0.709 61.680 62.300 0.149 0.000 1.035 55 V CB 2.007 33.907 31.823 0.128 0.000 1.110 55 V HN 0.989 nan 8.190 nan 0.000 0.450 56 S N -0.708 115.051 115.700 0.098 0.000 2.586 56 S HA 0.745 5.215 4.470 0.001 0.000 0.277 56 S C -1.486 173.150 174.600 0.059 0.000 1.131 56 S CA -0.725 57.510 58.200 0.059 0.000 0.848 56 S CB 1.297 64.522 63.200 0.040 0.000 1.091 56 S HN 0.724 nan 8.310 nan 0.000 0.453 57 V N 1.156 121.090 119.914 0.033 0.000 2.962 57 V HA 0.911 5.031 4.120 0.001 0.000 0.313 57 V C -0.640 175.444 176.094 -0.017 0.000 1.099 57 V CA -0.507 61.806 62.300 0.022 0.000 0.971 57 V CB 2.302 34.140 31.823 0.025 0.000 1.028 57 V HN 1.275 nan 8.190 nan 0.000 0.430 58 T N -0.312 114.216 114.554 -0.044 0.000 3.187 58 T HA 0.558 4.908 4.350 0.001 0.000 0.328 58 T C -0.710 173.847 174.700 -0.238 0.000 0.951 58 T CA -0.501 61.511 62.100 -0.148 0.000 1.049 58 T CB 0.896 69.680 68.868 -0.140 0.000 1.015 58 T HN 0.315 nan 8.240 nan 0.000 0.461 59 V N 4.336 124.114 119.914 -0.227 0.000 2.924 59 V HA 0.406 4.526 4.120 0.001 0.000 0.305 59 V C 0.294 176.186 176.094 -0.338 0.000 1.073 59 V CA 0.064 62.264 62.300 -0.167 0.000 1.098 59 V CB 0.580 32.359 31.823 -0.073 0.000 1.000 59 V HN 0.869 nan 8.190 nan 0.000 0.484 60 H N 0.281 119.365 119.070 0.022 0.000 2.984 60 H HA 0.375 4.931 4.556 0.001 0.000 0.277 60 H C -1.158 174.178 175.328 0.014 0.000 1.502 60 H CA -0.814 55.238 56.048 0.006 0.000 1.195 60 H CB 1.240 30.997 29.762 -0.008 0.000 1.866 60 H HN 0.671 nan 8.280 nan 0.000 0.594 61 D N 0.879 121.362 120.400 0.138 0.000 2.383 61 D HA 0.034 4.674 4.640 0.001 0.000 0.248 61 D C 1.288 177.586 176.300 -0.004 0.000 1.170 61 D CA -0.320 53.678 54.000 -0.003 0.000 0.977 61 D CB 0.793 41.470 40.800 -0.205 0.000 1.120 61 D HN 0.456 nan 8.370 nan 0.000 0.481 62 F N -1.340 118.656 119.950 0.077 0.000 2.456 62 F HA 0.124 4.651 4.527 0.001 0.000 0.298 62 F C -1.082 174.735 175.800 0.029 0.000 1.104 62 F CA -0.014 58.036 58.000 0.083 0.000 1.435 62 F CB -1.865 37.230 39.000 0.159 0.000 1.078 62 F HN 0.182 nan 8.300 nan 0.000 0.546 63 P HA 0.286 nan 4.420 nan 0.000 0.203 63 P C -0.223 176.963 177.300 -0.189 0.000 1.089 63 P CA 0.506 63.422 63.100 -0.307 0.000 0.726 63 P CB -0.069 31.314 31.700 -0.528 0.000 0.805 64 A N 0.021 122.711 122.820 -0.217 0.000 2.312 64 A HA 0.510 4.831 4.320 0.001 0.000 0.328 64 A C -0.049 177.404 177.584 -0.219 0.000 1.158 64 A CA -0.693 51.241 52.037 -0.172 0.000 0.821 64 A CB 0.396 19.311 19.000 -0.141 0.000 1.170 64 A HN 0.357 nan 8.150 nan 0.000 0.490 65 K N 1.414 121.657 120.400 -0.261 0.000 2.268 65 K HA 0.477 4.798 4.320 0.001 0.000 0.276 65 K C -0.600 175.739 176.600 -0.436 0.000 1.080 65 K CA -0.392 55.627 56.287 -0.447 0.000 0.910 65 K CB 0.929 32.970 32.500 -0.766 0.000 1.163 65 K HN 0.631 nan 8.250 nan 0.000 0.465 66 K N 1.910 122.156 120.400 -0.258 0.000 2.554 66 K HA 0.050 4.370 4.320 0.001 0.000 0.211 66 K C -0.409 176.179 176.600 -0.020 0.000 1.226 66 K CA -0.097 56.109 56.287 -0.135 0.000 1.025 66 K CB 1.222 33.660 32.500 -0.103 0.000 1.021 66 K HN 0.558 nan 8.250 nan 0.000 0.600 67 Q N 1.900 121.735 119.800 0.058 0.000 2.325 67 Q HA 0.278 4.619 4.340 0.001 0.000 0.270 67 Q C -1.516 174.642 176.000 0.264 0.000 1.020 67 Q CA -0.451 55.422 55.803 0.116 0.000 0.785 67 Q CB 2.579 31.351 28.738 0.056 0.000 1.259 67 Q HN -0.038 nan 8.270 nan 0.000 0.452 68 V N 6.488 126.493 119.914 0.151 0.000 2.461 68 V HA 0.223 4.344 4.120 0.001 0.000 0.275 68 V C 0.057 176.121 176.094 -0.050 0.000 1.047 68 V CA 0.311 62.607 62.300 -0.007 0.000 0.955 68 V CB 0.600 32.427 31.823 0.007 0.000 0.988 68 V HN 0.940 nan 8.190 nan 0.000 0.471 69 L N 5.705 126.855 121.223 -0.122 0.000 2.731 69 L HA 0.429 4.769 4.340 0.001 0.000 0.240 69 L C 0.300 177.133 176.870 -0.061 0.000 1.120 69 L CA 0.561 55.365 54.840 -0.061 0.000 0.913 69 L CB 0.670 42.710 42.059 -0.033 0.000 1.213 69 L HN 0.856 nan 8.230 nan 0.000 0.515 70 S N -1.584 114.060 115.700 -0.094 0.000 2.581 70 S HA 0.189 4.659 4.470 0.001 0.000 0.306 70 S C -0.848 173.711 174.600 -0.068 0.000 1.080 70 S CA -0.808 57.355 58.200 -0.061 0.000 0.925 70 S CB 0.195 63.371 63.200 -0.040 0.000 1.128 70 S HN 0.218 nan 8.310 nan 0.000 0.451 71 N N 1.322 119.997 118.700 -0.041 0.000 2.321 71 N HA 0.165 4.905 4.740 0.001 0.000 0.242 71 N C -0.136 175.368 175.510 -0.011 0.000 1.141 71 N CA -0.447 52.586 53.050 -0.029 0.000 0.864 71 N CB 0.578 39.054 38.487 -0.019 0.000 1.100 71 N HN 0.794 nan 8.380 nan 0.000 0.510 72 E N 2.452 122.647 120.200 -0.008 0.000 2.459 72 E HA -0.047 4.303 4.350 0.001 0.000 0.264 72 E C -0.379 176.228 176.600 0.011 0.000 1.055 72 E CA 0.286 56.688 56.400 0.003 0.000 0.957 72 E CB 0.390 30.093 29.700 0.005 0.000 0.952 72 E HN 0.336 nan 8.360 nan 0.000 0.448 73 N N 1.810 120.520 118.700 0.016 0.000 2.555 73 N HA 0.240 4.981 4.740 0.001 0.000 0.265 73 N C -1.411 174.115 175.510 0.027 0.000 1.135 73 N CA -0.545 52.520 53.050 0.025 0.000 0.925 73 N CB 1.882 40.385 38.487 0.026 0.000 1.662 73 N HN 0.526 nan 8.380 nan 0.000 0.489 74 T N -0.666 113.909 114.554 0.035 0.000 2.572 74 T HA 0.603 4.953 4.350 0.001 0.000 0.274 74 T C -1.751 172.976 174.700 0.045 0.000 0.949 74 T CA -0.213 61.907 62.100 0.034 0.000 1.126 74 T CB 1.139 70.023 68.868 0.027 0.000 1.478 74 T HN 0.699 nan 8.240 nan 0.000 0.492 75 Q N 0.455 120.283 119.800 0.046 0.000 2.522 75 Q HA 0.499 4.839 4.340 0.001 0.000 0.285 75 Q C -1.623 174.419 176.000 0.070 0.000 0.982 75 Q CA -0.947 54.892 55.803 0.061 0.000 0.805 75 Q CB 1.723 30.498 28.738 0.062 0.000 1.457 75 Q HN 0.532 nan 8.270 nan 0.000 0.394 76 L N 2.578 123.856 121.223 0.092 0.000 2.315 76 L HA 0.418 4.759 4.340 0.001 0.000 0.278 76 L C -0.741 176.333 176.870 0.339 0.000 1.088 76 L CA -0.412 54.525 54.840 0.161 0.000 0.899 76 L CB -0.167 41.951 42.059 0.098 0.000 1.277 76 L HN 0.458 nan 8.230 nan 0.000 0.431 77 N N -0.029 118.831 118.700 0.265 0.000 2.402 77 N HA 0.213 4.954 4.740 0.001 0.000 0.294 77 N C 1.062 176.576 175.510 0.008 0.000 1.203 77 N CA -0.116 53.100 53.050 0.278 0.000 0.838 77 N CB 1.697 40.263 38.487 0.132 0.000 1.306 77 N HN 0.396 nan 8.380 nan 0.000 0.510 78 S N 0.708 116.443 115.700 0.058 0.000 2.465 78 S HA -0.351 4.119 4.470 0.001 0.000 0.263 78 S C 1.334 175.798 174.600 -0.227 0.000 1.135 78 S CA 2.118 60.248 58.200 -0.116 0.000 1.118 78 S CB -0.417 62.803 63.200 0.034 0.000 0.994 78 S HN 0.714 nan 8.310 nan 0.000 0.455 79 N N 3.156 121.763 118.700 -0.155 0.000 2.290 79 N HA -0.036 4.704 4.740 0.001 0.000 0.179 79 N C 1.510 176.915 175.510 -0.175 0.000 1.016 79 N CA 1.525 54.490 53.050 -0.143 0.000 0.871 79 N CB -0.745 37.691 38.487 -0.086 0.000 0.987 79 N HN 0.856 nan 8.380 nan 0.000 0.431 80 N N -0.388 118.199 118.700 -0.188 0.000 2.354 80 N HA -0.008 4.732 4.740 0.001 0.000 0.179 80 N C 0.729 176.087 175.510 -0.252 0.000 1.021 80 N CA 1.108 54.054 53.050 -0.172 0.000 0.887 80 N CB -0.043 38.368 38.487 -0.127 0.000 0.974 80 N HN 0.208 nan 8.380 nan 0.000 0.437 81 G N 0.807 109.324 108.800 -0.472 0.000 2.207 81 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 81 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 81 G C -0.549 174.100 174.900 -0.417 0.000 1.053 81 G CA -0.288 44.481 45.100 -0.552 0.000 0.764 81 G HN 0.322 nan 8.290 nan 0.000 0.495 82 Y N -3.048 117.217 120.300 -0.057 0.000 2.988 82 Y HA -0.055 4.496 4.550 0.001 0.000 0.193 82 Y C 0.622 176.485 175.900 -0.062 0.000 1.388 82 Y CA 1.023 59.095 58.100 -0.047 0.000 0.904 82 Y CB -1.890 36.556 38.460 -0.023 0.000 1.297 82 Y HN 1.609 nan 8.280 nan 0.000 0.432 83 L N -0.882 120.349 121.223 0.013 0.000 2.516 83 L HA 0.972 5.312 4.340 0.001 0.000 0.267 83 L C -0.518 176.341 176.870 -0.020 0.000 0.957 83 L CA -0.793 54.035 54.840 -0.020 0.000 0.860 83 L CB 2.298 44.305 42.059 -0.087 0.000 1.265 83 L HN 0.130 nan 8.230 nan 0.000 0.403 84 S N 1.710 117.407 115.700 -0.005 0.000 2.656 84 S HA 0.951 5.422 4.470 0.001 0.000 0.273 84 S C -1.211 173.392 174.600 0.006 0.000 1.168 84 S CA 0.192 58.392 58.200 0.000 0.000 0.817 84 S CB 1.865 65.072 63.200 0.012 0.000 1.146 84 S HN 1.230 nan 8.310 nan 0.000 0.475 85 T N -0.110 114.450 114.554 0.010 0.000 2.991 85 T HA 0.593 4.943 4.350 0.001 0.000 0.303 85 T C -1.193 173.519 174.700 0.020 0.000 1.015 85 T CA -0.592 61.518 62.100 0.017 0.000 1.007 85 T CB 1.132 70.011 68.868 0.018 0.000 1.034 85 T HN 0.433 nan 8.240 nan 0.000 0.446 86 V N 4.427 124.355 119.914 0.024 0.000 2.353 86 V HA 0.413 4.533 4.120 0.001 0.000 0.264 86 V C 1.004 177.112 176.094 0.024 0.000 1.049 86 V CA -0.449 61.865 62.300 0.024 0.000 0.896 86 V CB 0.637 32.477 31.823 0.027 0.000 1.025 86 V HN 1.152 nan 8.190 nan 0.000 0.475 87 T N 4.572 119.138 114.554 0.020 0.000 2.832 87 T HA 0.743 5.094 4.350 0.001 0.000 0.296 87 T C -0.500 174.211 174.700 0.017 0.000 0.968 87 T CA -0.380 61.732 62.100 0.020 0.000 1.107 87 T CB 1.012 69.890 68.868 0.017 0.000 0.916 87 T HN 0.360 nan 8.240 nan 0.000 0.517 88 I N 1.753 122.335 120.570 0.019 0.000 2.656 88 I HA 0.414 4.584 4.170 0.001 0.000 0.292 88 I C -0.408 175.719 176.117 0.016 0.000 1.144 88 I CA -1.033 60.275 61.300 0.015 0.000 1.038 88 I CB 2.756 40.763 38.000 0.012 0.000 1.244 88 I HN 0.636 nan 8.210 nan 0.000 0.420 89 K N 7.014 127.422 120.400 0.012 0.000 2.265 89 K HA 0.628 4.948 4.320 0.001 0.000 0.267 89 K C -1.279 175.327 176.600 0.009 0.000 0.994 89 K CA -0.491 55.804 56.287 0.013 0.000 0.860 89 K CB 1.094 33.601 32.500 0.012 0.000 1.099 89 K HN 0.525 nan 8.250 nan 0.000 0.448 90 I N 8.007 128.585 120.570 0.012 0.000 2.337 90 I HA 0.231 4.401 4.170 0.001 0.000 0.285 90 I C -1.630 174.493 176.117 0.010 0.000 1.041 90 I CA -2.388 58.919 61.300 0.011 0.000 1.199 90 I CB 1.153 39.164 38.000 0.018 0.000 1.370 90 I HN 0.567 nan 8.210 nan 0.000 0.470 91 P HA -0.235 nan 4.420 nan 0.000 0.220 91 P C 0.113 177.417 177.300 0.007 0.000 1.136 91 P CA 0.563 63.667 63.100 0.007 0.000 0.910 91 P CB 0.266 31.970 31.700 0.007 0.000 0.574 92 A N -0.436 122.389 122.820 0.008 0.000 2.801 92 A HA 0.368 4.688 4.320 0.001 0.000 0.344 92 A C 0.224 177.816 177.584 0.013 0.000 1.322 92 A CA -0.299 51.743 52.037 0.007 0.000 0.913 92 A CB -0.825 18.179 19.000 0.007 0.000 1.140 92 A HN 0.342 nan 8.150 nan 0.000 0.487 93 S N 1.378 117.087 115.700 0.015 0.000 3.184 93 S HA -0.068 4.402 4.470 0.001 0.000 0.376 93 S C 0.602 175.217 174.600 0.025 0.000 1.163 93 S CA 0.308 58.523 58.200 0.025 0.000 1.314 93 S CB -0.279 62.935 63.200 0.024 0.000 0.962 93 S HN 0.634 nan 8.310 nan 0.000 0.543 94 K N 2.278 122.696 120.400 0.029 0.000 2.525 94 K HA 0.003 4.324 4.320 0.001 0.000 0.192 94 K C 0.561 177.184 176.600 0.038 0.000 1.029 94 K CA 0.805 57.108 56.287 0.027 0.000 1.029 94 K CB -0.001 32.513 32.500 0.023 0.000 0.814 94 K HN 0.687 nan 8.250 nan 0.000 0.503 95 E N 1.112 121.343 120.200 0.052 0.000 2.499 95 E HA 0.069 4.420 4.350 0.001 0.000 0.207 95 E C -0.798 175.842 176.600 0.067 0.000 1.034 95 E CA -0.366 56.082 56.400 0.081 0.000 1.098 95 E CB 0.202 29.979 29.700 0.128 0.000 1.148 95 E HN 0.062 nan 8.360 nan 0.000 0.447 96 L N 2.662 123.907 121.223 0.036 0.000 2.771 96 L HA -0.113 4.227 4.340 0.001 0.000 0.278 96 L C 0.221 177.095 176.870 0.006 0.000 1.175 96 L CA 0.224 55.072 54.840 0.014 0.000 0.973 96 L CB -0.047 42.015 42.059 0.005 0.000 1.286 96 L HN 0.106 nan 8.230 nan 0.000 0.481 97 K N 3.475 123.867 120.400 -0.014 0.000 2.511 97 K HA 0.070 4.390 4.320 0.001 0.000 0.277 97 K C 0.405 176.988 176.600 -0.028 0.000 1.025 97 K CA 0.730 56.994 56.287 -0.038 0.000 1.112 97 K CB 0.070 32.526 32.500 -0.073 0.000 0.859 97 K HN 0.643 nan 8.250 nan 0.000 0.485 98 S N 2.222 117.910 115.700 -0.020 0.000 2.634 98 S HA 0.010 4.480 4.470 0.001 0.000 0.261 98 S C 0.607 175.190 174.600 -0.028 0.000 1.271 98 S CA -0.286 57.905 58.200 -0.015 0.000 0.985 98 S CB 0.624 63.822 63.200 -0.003 0.000 0.968 98 S HN 0.710 nan 8.310 nan 0.000 0.568 99 D N 1.519 121.903 120.400 -0.027 0.000 2.137 99 D HA -0.151 4.489 4.640 0.001 0.000 0.189 99 D C 1.596 177.869 176.300 -0.045 0.000 0.998 99 D CA 1.697 55.675 54.000 -0.037 0.000 0.839 99 D CB -0.195 40.586 40.800 -0.032 0.000 0.962 99 D HN 0.763 nan 8.370 nan 0.000 0.446 100 K N 0.578 120.956 120.400 -0.037 0.000 2.458 100 K HA 0.236 4.556 4.320 0.001 0.000 0.194 100 K C 0.725 177.300 176.600 -0.041 0.000 1.024 100 K CA -0.050 56.211 56.287 -0.045 0.000 1.108 100 K CB 0.513 32.994 32.500 -0.033 0.000 0.846 100 K HN 0.053 nan 8.250 nan 0.000 0.518 101 G N 1.687 110.472 108.800 -0.025 0.000 2.519 101 G HA2 0.467 4.427 3.960 0.001 0.000 0.307 101 G HA3 0.467 4.427 3.960 0.001 0.000 0.307 101 G C -1.622 173.304 174.900 0.043 0.000 1.266 101 G CA -0.627 44.490 45.100 0.028 0.000 0.970 101 G HN 0.422 nan 8.290 nan 0.000 0.481 102 H N -0.500 118.435 119.070 -0.225 0.000 2.609 102 H HA 0.595 5.151 4.556 0.001 0.000 0.344 102 H C -1.003 174.021 175.328 -0.507 0.000 1.040 102 H CA -0.970 54.879 56.048 -0.332 0.000 1.216 102 H CB 1.475 31.042 29.762 -0.325 0.000 1.529 102 H HN 0.336 nan 8.280 nan 0.000 0.519 103 K N 2.647 122.715 120.400 -0.553 0.000 2.221 103 K HA 0.499 4.819 4.320 0.001 0.000 0.243 103 K C -0.771 175.436 176.600 -0.655 0.000 0.968 103 K CA -0.676 55.190 56.287 -0.700 0.000 0.846 103 K CB 1.733 33.974 32.500 -0.431 0.000 1.141 103 K HN 0.259 nan 8.250 nan 0.000 0.434 104 F N -0.176 119.634 119.950 -0.233 0.000 2.572 104 F HA 0.571 5.099 4.527 0.001 0.000 0.342 104 F C 0.039 175.925 175.800 0.144 0.000 1.064 104 F CA -1.057 56.929 58.000 -0.023 0.000 1.008 104 F CB 1.373 40.356 39.000 -0.028 0.000 1.303 104 F HN 0.076 nan 8.300 nan 0.000 0.492 105 V N 0.166 120.269 119.914 0.314 0.000 2.914 105 V HA 0.761 4.881 4.120 0.001 0.000 0.314 105 V C -1.110 175.096 176.094 0.186 0.000 1.084 105 V CA -0.397 62.036 62.300 0.221 0.000 0.963 105 V CB 2.353 34.260 31.823 0.140 0.000 1.025 105 V HN 0.844 nan 8.190 nan 0.000 0.432 106 T N 2.372 117.019 114.554 0.155 0.000 2.906 106 T HA 0.611 4.961 4.350 0.001 0.000 0.302 106 T C -0.760 174.008 174.700 0.115 0.000 1.002 106 T CA -0.534 61.640 62.100 0.124 0.000 0.988 106 T CB 0.851 69.787 68.868 0.114 0.000 0.972 106 T HN 1.045 nan 8.240 nan 0.000 0.447 107 V N 1.533 121.494 119.914 0.079 0.000 2.432 107 V HA 0.620 4.740 4.120 0.001 0.000 0.275 107 V C 0.314 176.446 176.094 0.063 0.000 1.043 107 V CA -0.868 61.465 62.300 0.055 0.000 0.925 107 V CB 1.099 32.948 31.823 0.043 0.000 0.985 107 V HN 0.729 nan 8.190 nan 0.000 0.466 108 V N 4.509 124.460 119.914 0.062 0.000 2.169 108 V HA 0.493 4.613 4.120 0.001 0.000 0.271 108 V C 1.101 177.227 176.094 0.053 0.000 1.372 108 V CA 0.044 62.385 62.300 0.069 0.000 1.348 108 V CB 0.090 31.979 31.823 0.109 0.000 1.379 108 V HN 1.082 nan 8.190 nan 0.000 0.491 109 A N 2.271 125.132 122.820 0.067 0.000 2.444 109 A HA 0.518 4.838 4.320 0.001 0.000 0.273 109 A C 0.753 178.413 177.584 0.127 0.000 1.136 109 A CA 0.312 52.411 52.037 0.104 0.000 0.799 109 A CB -0.028 19.047 19.000 0.125 0.000 1.081 109 A HN 0.746 nan 8.150 nan 0.000 0.509 110 T N 1.904 116.517 114.554 0.098 0.000 2.864 110 T HA 0.672 5.022 4.350 0.001 0.000 0.299 110 T C -0.655 174.091 174.700 0.076 0.000 1.011 110 T CA -0.613 61.483 62.100 -0.005 0.000 0.975 110 T CB -0.080 68.765 68.868 -0.038 0.000 0.962 110 T HN 1.133 nan 8.240 nan 0.000 0.448 111 F N 0.589 120.535 119.950 -0.006 0.000 2.613 111 F HA 0.776 5.304 4.527 0.001 0.000 0.314 111 F C 0.744 176.534 175.800 -0.017 0.000 1.075 111 F CA -0.710 57.286 58.000 -0.008 0.000 0.945 111 F CB 0.797 39.794 39.000 -0.004 0.000 1.310 111 F HN 0.822 nan 8.300 nan 0.000 0.467 112 G N 2.496 111.341 108.800 0.076 0.000 2.450 112 G HA2 -0.409 3.552 3.960 0.001 0.000 0.302 112 G HA3 -0.409 3.552 3.960 0.001 0.000 0.302 112 G C 0.324 175.077 174.900 -0.245 0.000 0.957 112 G CA 0.916 46.001 45.100 -0.025 0.000 1.005 112 G HN 1.313 nan 8.290 nan 0.000 0.514 113 N N -2.814 115.750 118.700 -0.227 0.000 2.708 113 N HA -0.179 4.562 4.740 0.001 0.000 0.251 113 N C 0.057 175.408 175.510 -0.265 0.000 1.017 113 N CA 1.505 54.435 53.050 -0.200 0.000 0.742 113 N CB -0.639 37.781 38.487 -0.112 0.000 0.943 113 N HN 1.275 nan 8.380 nan 0.000 0.539 114 V N -0.792 118.841 119.914 -0.468 0.000 2.569 114 V HA 0.422 4.542 4.120 0.001 0.000 0.301 114 V C -0.013 175.791 176.094 -0.483 0.000 1.044 114 V CA -1.043 60.988 62.300 -0.449 0.000 0.874 114 V CB 1.892 33.418 31.823 -0.495 0.000 1.002 114 V HN 0.219 nan 8.190 nan 0.000 0.424 115 Q N 3.155 122.809 119.800 -0.245 0.000 2.293 115 Q HA 0.851 5.191 4.340 0.001 0.000 0.261 115 Q C -1.178 174.777 176.000 -0.075 0.000 0.960 115 Q CA -0.815 54.891 55.803 -0.161 0.000 0.882 115 Q CB 2.359 31.047 28.738 -0.084 0.000 1.275 115 Q HN 0.518 nan 8.270 nan 0.000 0.445 116 V N 1.972 121.889 119.914 0.005 0.000 2.713 116 V HA 0.422 4.542 4.120 0.001 0.000 0.307 116 V C -0.135 175.983 176.094 0.039 0.000 1.052 116 V CA -0.651 61.676 62.300 0.045 0.000 0.967 116 V CB 1.492 33.386 31.823 0.119 0.000 1.019 116 V HN 0.861 nan 8.190 nan 0.000 0.459 117 E N 1.881 122.095 120.200 0.023 0.000 2.293 117 E HA 0.684 5.034 4.350 0.001 0.000 0.270 117 E C -1.344 175.266 176.600 0.017 0.000 0.879 117 E CA -1.061 55.354 56.400 0.025 0.000 0.756 117 E CB 2.779 32.490 29.700 0.017 0.000 1.208 117 E HN 0.385 nan 8.360 nan 0.000 0.428 118 K N 0.768 121.185 120.400 0.027 0.000 2.464 118 K HA 0.430 4.750 4.320 0.001 0.000 0.253 118 K C -1.602 175.020 176.600 0.036 0.000 0.933 118 K CA -0.690 55.608 56.287 0.019 0.000 0.801 118 K CB 2.191 34.703 32.500 0.020 0.000 1.271 118 K HN 0.238 nan 8.250 nan 0.000 0.430 119 V N 4.623 124.551 119.914 0.023 0.000 2.284 119 V HA 0.302 4.423 4.120 0.001 0.000 0.274 119 V C 0.381 176.523 176.094 0.079 0.000 1.023 119 V CA -0.714 61.615 62.300 0.049 0.000 0.808 119 V CB 0.634 32.449 31.823 -0.014 0.000 1.035 119 V HN 0.595 nan 8.190 nan 0.000 0.445 120 V N 3.913 123.899 119.914 0.121 0.000 5.806 120 V HA 0.607 4.728 4.120 0.001 0.000 0.274 120 V C 0.024 176.251 176.094 0.222 0.000 1.486 120 V CA -0.538 61.845 62.300 0.139 0.000 0.635 120 V CB 0.585 32.467 31.823 0.099 0.000 1.369 120 V HN 0.497 nan 8.190 nan 0.000 0.377 121 L N -0.913 120.400 121.223 0.150 0.000 2.341 121 L HA 0.698 5.038 4.340 0.001 0.000 0.254 121 L C -1.285 175.606 176.870 0.035 0.000 1.040 121 L CA -0.294 54.609 54.840 0.105 0.000 0.837 121 L CB 2.320 44.430 42.059 0.086 0.000 1.425 121 L HN 0.468 nan 8.230 nan 0.000 0.414 122 I N 0.207 120.751 120.570 -0.043 0.000 2.802 122 I HA 0.537 4.707 4.170 0.001 0.000 0.298 122 I C -1.151 174.919 176.117 -0.078 0.000 1.176 122 I CA -0.508 60.765 61.300 -0.044 0.000 1.025 122 I CB 2.302 40.277 38.000 -0.042 0.000 1.243 122 I HN 0.503 nan 8.210 nan 0.000 0.424 123 S N 5.405 121.069 115.700 -0.059 0.000 2.387 123 S HA 0.396 4.866 4.470 0.001 0.000 0.211 123 S C -0.675 173.869 174.600 -0.093 0.000 1.055 123 S CA -0.933 57.220 58.200 -0.078 0.000 1.133 123 S CB 0.306 63.468 63.200 -0.063 0.000 1.235 123 S HN 0.688 nan 8.310 nan 0.000 0.425 124 L N 0.851 122.019 121.223 -0.091 0.000 2.482 124 L HA 0.333 4.674 4.340 0.001 0.000 0.273 124 L C 0.522 177.305 176.870 -0.146 0.000 1.228 124 L CA -0.545 54.239 54.840 -0.094 0.000 0.827 124 L CB -0.345 41.670 42.059 -0.072 0.000 1.099 124 L HN 0.789 nan 8.230 nan 0.000 0.494 125 Q N 0.911 120.625 119.800 -0.144 0.000 2.312 125 Q HA -0.197 4.143 4.340 0.001 0.000 0.360 125 Q C 0.085 175.914 176.000 -0.286 0.000 1.206 125 Q CA 0.956 56.644 55.803 -0.192 0.000 1.189 125 Q CB -1.380 27.267 28.738 -0.153 0.000 1.365 125 Q HN 0.634 nan 8.270 nan 0.000 0.299 126 S N 1.206 116.625 115.700 -0.468 0.000 2.503 126 S HA 0.381 4.851 4.470 0.001 0.000 0.317 126 S C 0.848 175.143 174.600 -0.508 0.000 1.162 126 S CA -0.084 57.803 58.200 -0.522 0.000 1.124 126 S CB -0.045 62.704 63.200 -0.751 0.000 1.207 126 S HN 0.606 nan 8.310 nan 0.000 0.538 127 G N 3.334 111.944 108.800 -0.317 0.000 2.631 127 G HA2 0.376 4.336 3.960 0.001 0.000 0.271 127 G HA3 0.376 4.336 3.960 0.001 0.000 0.271 127 G C -1.013 173.795 174.900 -0.154 0.000 1.302 127 G CA -0.286 44.661 45.100 -0.254 0.000 1.002 127 G HN 0.734 nan 8.290 nan 0.000 0.519 128 Y N -1.609 118.779 120.300 0.146 0.000 2.519 128 Y HA 0.477 5.028 4.550 0.001 0.000 0.336 128 Y C -0.477 175.200 175.900 -0.372 0.000 1.089 128 Y CA -0.955 57.035 58.100 -0.184 0.000 1.025 128 Y CB 2.479 40.929 38.460 -0.016 0.000 1.318 128 Y HN 0.278 nan 8.280 nan 0.000 0.452 129 L N 4.401 124.973 121.223 -1.085 0.000 2.528 129 L HA 0.423 4.763 4.340 0.001 0.000 0.267 129 L C -1.709 174.647 176.870 -0.858 0.000 0.961 129 L CA -0.419 53.946 54.840 -0.791 0.000 0.866 129 L CB 1.774 43.406 42.059 -0.712 0.000 1.248 129 L HN 0.494 nan 8.230 nan 0.000 0.404 130 F N 3.980 123.868 119.950 -0.103 0.000 2.402 130 F HA 0.526 5.054 4.527 0.001 0.000 0.355 130 F C 0.250 176.107 175.800 0.094 0.000 1.123 130 F CA -0.450 57.574 58.000 0.041 0.000 1.021 130 F CB 1.454 40.524 39.000 0.117 0.000 1.160 130 F HN 0.181 nan 8.300 nan 0.000 0.451 131 I N 3.484 124.177 120.570 0.204 0.000 2.321 131 I HA 0.272 4.442 4.170 0.001 0.000 0.291 131 I C -0.276 175.950 176.117 0.181 0.000 0.998 131 I CA -0.514 60.868 61.300 0.137 0.000 1.227 131 I CB 1.356 39.449 38.000 0.154 0.000 1.368 131 I HN 0.571 nan 8.210 nan 0.000 0.466 132 Q N 5.821 125.692 119.800 0.120 0.000 2.293 132 Q HA 0.460 4.800 4.340 0.001 0.000 0.261 132 Q C -0.711 175.422 176.000 0.221 0.000 0.960 132 Q CA -0.666 55.246 55.803 0.182 0.000 0.882 132 Q CB 1.889 30.737 28.738 0.183 0.000 1.275 132 Q HN 0.764 nan 8.270 nan 0.000 0.445 133 T N -0.202 114.476 114.554 0.207 0.000 2.895 133 T HA 0.133 4.484 4.350 0.001 0.000 0.283 133 T C 0.741 175.544 174.700 0.171 0.000 1.014 133 T CA -0.732 61.479 62.100 0.184 0.000 1.037 133 T CB 1.490 70.450 68.868 0.154 0.000 1.006 133 T HN 0.698 nan 8.240 nan 0.000 0.468 134 D N 1.496 121.992 120.400 0.161 0.000 2.092 134 D HA -0.104 4.536 4.640 0.001 0.000 0.193 134 D C 0.706 176.987 176.300 -0.031 0.000 0.994 134 D CA 1.468 55.522 54.000 0.090 0.000 0.828 134 D CB 0.286 41.117 40.800 0.052 0.000 0.963 134 D HN 0.788 nan 8.370 nan 0.000 0.450 135 K N -2.444 117.860 120.400 -0.159 0.000 2.092 135 K HA 0.355 4.675 4.320 0.001 0.000 0.252 135 K C 0.589 177.068 176.600 -0.201 0.000 0.988 135 K CA -0.310 55.802 56.287 -0.291 0.000 0.837 135 K CB 0.685 32.862 32.500 -0.537 0.000 1.493 135 K HN -0.057 nan 8.250 nan 0.000 0.449 136 T N -2.302 112.148 114.554 -0.173 0.000 3.087 136 T HA 0.398 4.748 4.350 0.001 0.000 0.283 136 T C 0.077 174.851 174.700 0.124 0.000 0.956 136 T CA -0.314 61.827 62.100 0.068 0.000 0.894 136 T CB -0.031 68.898 68.868 0.100 0.000 1.160 136 T HN 0.391 nan 8.240 nan 0.000 0.532 137 I N 1.802 122.336 120.570 -0.060 0.000 2.529 137 I HA 0.452 4.623 4.170 0.001 0.000 0.284 137 I C -1.559 174.561 176.117 0.004 0.000 1.088 137 I CA -1.023 60.326 61.300 0.081 0.000 1.062 137 I CB 1.780 39.825 38.000 0.074 0.000 1.218 137 I HN 0.127 nan 8.210 nan 0.000 0.442 138 Y N 3.019 123.422 120.300 0.172 0.000 2.509 138 Y HA 0.529 5.079 4.550 0.001 0.000 0.341 138 Y C 0.632 176.587 175.900 0.091 0.000 1.038 138 Y CA -0.761 57.406 58.100 0.112 0.000 1.089 138 Y CB 2.285 40.784 38.460 0.064 0.000 1.241 138 Y HN 0.424 nan 8.280 nan 0.000 0.468 139 T N -0.583 114.120 114.554 0.249 0.000 2.797 139 T HA 0.280 4.631 4.350 0.001 0.000 0.279 139 T C -2.307 172.433 174.700 0.067 0.000 0.991 139 T CA -2.289 59.900 62.100 0.148 0.000 0.979 139 T CB 1.692 70.654 68.868 0.157 0.000 0.943 139 T HN 0.296 nan 8.240 nan 0.000 0.444 140 P HA -0.313 nan 4.420 nan 0.000 0.232 140 P C 1.805 179.036 177.300 -0.115 0.000 1.135 140 P CA 2.165 65.225 63.100 -0.068 0.000 0.969 140 P CB -0.282 31.394 31.700 -0.041 0.000 0.777 141 G N -1.421 107.343 108.800 -0.061 0.000 2.422 141 G HA2 -0.137 3.823 3.960 0.001 0.000 0.218 141 G HA3 -0.137 3.823 3.960 0.001 0.000 0.218 141 G C 0.465 175.303 174.900 -0.104 0.000 1.140 141 G CA 0.714 45.764 45.100 -0.082 0.000 0.775 141 G HN 0.503 nan 8.290 nan 0.000 0.545 142 S N -0.567 115.096 115.700 -0.062 0.000 2.584 142 S HA 0.389 4.860 4.470 0.001 0.000 0.270 142 S C 0.158 174.644 174.600 -0.190 0.000 1.346 142 S CA 0.057 58.226 58.200 -0.052 0.000 1.018 142 S CB 1.424 64.683 63.200 0.099 0.000 0.899 142 S HN 0.219 nan 8.310 nan 0.000 0.542 143 T N 1.432 115.888 114.554 -0.164 0.000 2.767 143 T HA 0.404 4.755 4.350 0.001 0.000 0.288 143 T C -0.353 174.188 174.700 -0.266 0.000 0.963 143 T CA -0.729 61.217 62.100 -0.257 0.000 1.019 143 T CB 0.246 68.998 68.868 -0.194 0.000 0.923 143 T HN 0.542 nan 8.240 nan 0.000 0.468 144 V N 6.954 126.619 119.914 -0.414 0.000 2.614 144 V HA 0.341 4.461 4.120 0.001 0.000 0.291 144 V C 0.257 176.222 176.094 -0.214 0.000 1.049 144 V CA -0.334 61.666 62.300 -0.499 0.000 1.038 144 V CB 0.898 32.266 31.823 -0.758 0.000 0.980 144 V HN 0.771 nan 8.190 nan 0.000 0.481 145 L N 7.282 128.368 121.223 -0.228 0.000 2.298 145 L HA 0.588 4.928 4.340 0.001 0.000 0.284 145 L C -0.757 176.096 176.870 -0.029 0.000 1.013 145 L CA -0.549 53.975 54.840 -0.526 0.000 0.824 145 L CB 0.956 42.224 42.059 -1.320 0.000 1.221 145 L HN 0.772 nan 8.230 nan 0.000 0.418 146 Y N 1.608 121.922 120.300 0.022 0.000 2.581 146 Y HA 0.813 5.364 4.550 0.001 0.000 0.345 146 Y C -0.852 175.212 175.900 0.273 0.000 1.036 146 Y CA -1.342 56.882 58.100 0.205 0.000 1.042 146 Y CB 1.767 40.247 38.460 0.033 0.000 1.289 146 Y HN 0.361 nan 8.280 nan 0.000 0.471 147 R N 1.367 121.902 120.500 0.058 0.000 2.795 147 R HA 0.739 5.080 4.340 0.001 0.000 0.275 147 R C -1.971 174.048 176.300 -0.469 0.000 0.981 147 R CA -1.388 54.503 56.100 -0.348 0.000 0.917 147 R CB 2.843 32.766 30.300 -0.630 0.000 1.202 147 R HN 0.642 nan 8.270 nan 0.000 0.469 148 V N 3.433 123.020 119.914 -0.545 0.000 2.445 148 V HA 0.306 4.427 4.120 0.001 0.000 0.283 148 V C -1.144 174.733 176.094 -0.362 0.000 1.014 148 V CA -0.723 61.342 62.300 -0.392 0.000 0.852 148 V CB 1.114 32.824 31.823 -0.188 0.000 1.021 148 V HN 0.522 nan 8.190 nan 0.000 0.435 149 F N 3.134 123.089 119.950 0.009 0.000 2.466 149 F HA 0.342 4.870 4.527 0.001 0.000 0.363 149 F C 1.422 177.253 175.800 0.052 0.000 1.109 149 F CA -0.561 57.454 58.000 0.026 0.000 1.161 149 F CB 0.402 39.432 39.000 0.050 0.000 1.117 149 F HN 0.478 nan 8.300 nan 0.000 0.539 150 T N 0.897 115.572 114.554 0.201 0.000 2.870 150 T HA 0.562 4.913 4.350 0.001 0.000 0.300 150 T C -0.292 174.586 174.700 0.296 0.000 0.989 150 T CA -0.624 61.605 62.100 0.216 0.000 1.139 150 T CB 1.238 70.216 68.868 0.184 0.000 0.920 150 T HN 0.459 nan 8.240 nan 0.000 0.537 151 V N 2.939 123.082 119.914 0.380 0.000 3.077 151 V HA 0.348 4.468 4.120 0.001 0.000 0.299 151 V C -0.800 175.458 176.094 0.274 0.000 1.276 151 V CA -0.980 61.502 62.300 0.305 0.000 0.993 151 V CB 2.358 34.378 31.823 0.328 0.000 1.076 151 V HN 1.203 nan 8.190 nan 0.000 0.434 152 D N 2.444 122.956 120.400 0.188 0.000 2.425 152 D HA 0.111 4.752 4.640 0.001 0.000 0.274 152 D C 1.200 177.653 176.300 0.255 0.000 1.242 152 D CA 0.351 54.423 54.000 0.121 0.000 1.060 152 D CB 0.373 41.219 40.800 0.076 0.000 1.112 152 D HN 0.711 nan 8.370 nan 0.000 0.561 153 H N -0.603 118.496 119.070 0.049 0.000 2.387 153 H HA -0.038 4.519 4.556 0.001 0.000 0.299 153 H C 0.638 176.107 175.328 0.234 0.000 1.099 153 H CA 0.894 56.989 56.048 0.078 0.000 1.315 153 H CB 0.361 30.124 29.762 0.002 0.000 1.380 153 H HN 0.244 nan 8.280 nan 0.000 0.513 154 K N 1.228 121.762 120.400 0.224 0.000 2.708 154 K HA 0.099 4.420 4.320 0.001 0.000 0.219 154 K C 0.112 176.813 176.600 0.167 0.000 1.068 154 K CA -0.022 56.349 56.287 0.140 0.000 1.212 154 K CB 0.215 32.766 32.500 0.084 0.000 0.978 154 K HN 0.328 nan 8.250 nan 0.000 0.475 155 L N 0.235 121.605 121.223 0.246 0.000 3.737 155 L HA -0.260 4.081 4.340 0.001 0.000 0.418 155 L C -0.581 176.356 176.870 0.113 0.000 1.216 155 L CA 0.531 55.477 54.840 0.177 0.000 0.915 155 L CB -1.906 40.204 42.059 0.084 0.000 1.834 155 L HN 0.351 nan 8.230 nan 0.000 0.943 156 L N 1.629 122.931 121.223 0.131 0.000 2.307 156 L HA 0.491 4.832 4.340 0.001 0.000 0.284 156 L C -1.651 175.280 176.870 0.102 0.000 1.023 156 L CA -1.892 53.002 54.840 0.090 0.000 0.810 156 L CB 1.468 43.573 42.059 0.075 0.000 1.231 156 L HN -0.183 nan 8.230 nan 0.000 0.423 157 P HA 0.003 nan 4.420 nan 0.000 0.258 157 P C -0.741 176.622 177.300 0.105 0.000 1.214 157 P CA 0.176 63.337 63.100 0.102 0.000 0.872 157 P CB 0.421 32.167 31.700 0.077 0.000 0.890 158 V N 3.971 123.962 119.914 0.128 0.000 2.448 158 V HA 0.454 4.574 4.120 0.001 0.000 0.295 158 V C 1.264 177.444 176.094 0.144 0.000 1.025 158 V CA -0.537 61.828 62.300 0.109 0.000 0.859 158 V CB 1.944 33.806 31.823 0.065 0.000 0.988 158 V HN 0.554 nan 8.190 nan 0.000 0.431 159 G N 4.215 113.094 108.800 0.132 0.000 3.343 159 G HA2 0.329 4.290 3.960 0.001 0.000 0.264 159 G HA3 0.329 4.290 3.960 0.001 0.000 0.264 159 G C 0.027 174.993 174.900 0.110 0.000 0.884 159 G CA -0.261 44.917 45.100 0.130 0.000 1.916 159 G HN 0.681 nan 8.290 nan 0.000 0.618 160 Q N 0.643 120.539 119.800 0.159 0.000 2.266 160 Q HA 0.373 4.713 4.340 0.001 0.000 0.261 160 Q C 0.215 176.293 176.000 0.129 0.000 0.985 160 Q CA -0.733 55.161 55.803 0.152 0.000 0.873 160 Q CB 1.631 30.468 28.738 0.166 0.000 1.306 160 Q HN 0.416 nan 8.270 nan 0.000 0.447 161 T N -1.147 113.424 114.554 0.029 0.000 2.908 161 T HA 0.274 4.624 4.350 0.001 0.000 0.301 161 T C 0.108 174.632 174.700 -0.293 0.000 1.019 161 T CA -0.517 61.516 62.100 -0.112 0.000 1.152 161 T CB 0.137 68.926 68.868 -0.132 0.000 0.966 161 T HN 0.288 nan 8.240 nan 0.000 0.540 162 V N 2.863 122.541 119.914 -0.392 0.000 2.823 162 V HA 0.593 4.713 4.120 0.001 0.000 0.312 162 V C -0.911 174.894 176.094 -0.481 0.000 1.072 162 V CA -1.141 60.830 62.300 -0.549 0.000 0.937 162 V CB 1.871 33.418 31.823 -0.460 0.000 1.013 162 V HN 0.828 nan 8.190 nan 0.000 0.430 163 F N 3.744 123.430 119.950 -0.439 0.000 2.382 163 F HA 0.676 5.203 4.527 0.001 0.000 0.361 163 F C -0.251 175.284 175.800 -0.443 0.000 1.109 163 F CA -1.429 56.287 58.000 -0.473 0.000 1.031 163 F CB 0.959 39.566 39.000 -0.655 0.000 1.234 163 F HN 0.176 nan 8.300 nan 0.000 0.445 164 I N 2.290 122.835 120.570 -0.042 0.000 2.359 164 I HA 0.600 4.770 4.170 0.001 0.000 0.294 164 I C 0.307 176.431 176.117 0.012 0.000 0.987 164 I CA -0.450 60.845 61.300 -0.008 0.000 1.225 164 I CB 1.679 39.721 38.000 0.069 0.000 1.366 164 I HN 0.578 nan 8.210 nan 0.000 0.466 165 T N 3.937 118.493 114.554 0.003 0.000 2.916 165 T HA 0.729 5.080 4.350 0.001 0.000 0.298 165 T C -0.582 174.079 174.700 -0.064 0.000 1.031 165 T CA -0.657 61.425 62.100 -0.030 0.000 0.993 165 T CB 1.044 69.896 68.868 -0.028 0.000 1.045 165 T HN 0.353 nan 8.240 nan 0.000 0.454 166 I N 2.727 123.206 120.570 -0.151 0.000 2.331 166 I HA 0.382 4.552 4.170 0.001 0.000 0.292 166 I C 0.546 176.590 176.117 -0.123 0.000 0.998 166 I CA -0.634 60.547 61.300 -0.197 0.000 1.267 166 I CB 1.192 38.878 38.000 -0.524 0.000 1.386 166 I HN 0.673 nan 8.210 nan 0.000 0.476 167 E N 3.669 123.810 120.200 -0.099 0.000 2.232 167 E HA 0.405 4.756 4.350 0.001 0.000 0.264 167 E C -0.345 175.974 176.600 -0.467 0.000 0.973 167 E CA -0.766 55.512 56.400 -0.205 0.000 0.849 167 E CB 2.001 31.592 29.700 -0.181 0.000 1.198 167 E HN 0.625 nan 8.360 nan 0.000 0.407 168 T N -2.036 112.050 114.554 -0.781 0.000 2.902 168 T HA 0.255 4.606 4.350 0.001 0.000 0.280 168 T C -2.018 172.068 174.700 -1.024 0.000 0.992 168 T CA -2.026 59.116 62.100 -1.597 0.000 1.015 168 T CB 1.202 69.363 68.868 -1.178 0.000 1.044 168 T HN 0.188 nan 8.240 nan 0.000 0.520 169 P HA 0.158 nan 4.420 nan 0.000 0.301 169 P C -0.409 176.666 177.300 -0.375 0.000 1.560 169 P CA 0.394 63.154 63.100 -0.567 0.000 0.784 169 P CB -0.261 31.172 31.700 -0.446 0.000 1.715 170 D N -1.347 118.832 120.400 -0.369 0.000 2.583 170 D HA 0.182 4.822 4.640 0.001 0.000 0.282 170 D C 1.125 177.295 176.300 -0.216 0.000 1.485 170 D CA 0.417 54.267 54.000 -0.250 0.000 0.834 170 D CB 1.247 41.903 40.800 -0.240 0.000 1.258 170 D HN 0.221 nan 8.370 nan 0.000 0.470 171 G N 1.937 110.590 108.800 -0.245 0.000 2.568 171 G HA2 -0.196 3.765 3.960 0.001 0.000 0.222 171 G HA3 -0.196 3.765 3.960 0.001 0.000 0.222 171 G C -0.116 174.661 174.900 -0.204 0.000 1.321 171 G CA -0.446 44.544 45.100 -0.184 0.000 0.893 171 G HN 0.442 nan 8.290 nan 0.000 0.569 172 I N -0.059 120.431 120.570 -0.133 0.000 7.320 172 I HA -0.146 4.025 4.170 0.001 0.000 0.126 172 I C -1.663 174.387 176.117 -0.111 0.000 1.838 172 I CA 0.224 61.461 61.300 -0.106 0.000 2.037 172 I CB -0.913 37.002 38.000 -0.142 0.000 3.632 172 I HN 0.741 nan 8.210 nan 0.000 0.169 173 P HA 0.045 nan 4.420 nan 0.000 0.272 173 P C 0.228 177.521 177.300 -0.011 0.000 1.248 173 P CA 0.026 63.096 63.100 -0.049 0.000 0.799 173 P CB 1.794 33.478 31.700 -0.026 0.000 0.997 174 V N -1.074 118.832 119.914 -0.013 0.000 3.523 174 V HA 0.211 4.331 4.120 0.001 0.000 0.273 174 V C 0.025 176.142 176.094 0.038 0.000 1.675 174 V CA 0.346 62.688 62.300 0.070 0.000 1.079 174 V CB -0.047 31.851 31.823 0.124 0.000 0.901 174 V HN 0.686 nan 8.190 nan 0.000 0.406 175 K N 1.169 121.532 120.400 -0.062 0.000 2.575 175 K HA 0.540 4.860 4.320 0.001 0.000 0.255 175 K C -1.246 175.317 176.600 -0.063 0.000 0.953 175 K CA -0.540 55.706 56.287 -0.068 0.000 0.840 175 K CB 1.581 33.955 32.500 -0.209 0.000 1.303 175 K HN 0.153 nan 8.250 nan 0.000 0.438 176 R N 2.947 123.423 120.500 -0.040 0.000 2.409 176 R HA 0.357 4.697 4.340 0.001 0.000 0.313 176 R C -1.205 175.074 176.300 -0.035 0.000 0.953 176 R CA -0.873 55.196 56.100 -0.052 0.000 0.849 176 R CB 1.463 31.711 30.300 -0.087 0.000 1.171 176 R HN 0.519 nan 8.270 nan 0.000 0.458 177 D N 0.941 121.336 120.400 -0.010 0.000 2.350 177 D HA 0.162 4.802 4.640 0.001 0.000 0.245 177 D C -0.617 175.708 176.300 0.043 0.000 1.036 177 D CA -0.241 53.765 54.000 0.010 0.000 0.848 177 D CB 2.385 43.200 40.800 0.025 0.000 1.307 177 D HN 0.296 nan 8.370 nan 0.000 0.469 178 S N 2.086 117.825 115.700 0.066 0.000 2.259 178 S HA 0.244 4.714 4.470 0.001 0.000 0.181 178 S C -0.811 173.859 174.600 0.117 0.000 1.589 178 S CA -0.758 57.572 58.200 0.218 0.000 1.234 178 S CB -0.072 63.238 63.200 0.183 0.000 1.119 178 S HN 0.223 nan 8.310 nan 0.000 0.458 179 K N 1.431 121.858 120.400 0.045 0.000 2.203 179 K HA 0.589 4.910 4.320 0.001 0.000 0.251 179 K C -0.562 176.015 176.600 -0.039 0.000 0.944 179 K CA -0.763 55.518 56.287 -0.009 0.000 0.829 179 K CB 1.942 34.416 32.500 -0.043 0.000 1.125 179 K HN 0.374 nan 8.250 nan 0.000 0.430 180 S N 0.089 115.766 115.700 -0.038 0.000 2.537 180 S HA 0.180 4.651 4.470 0.001 0.000 0.301 180 S C 0.417 174.987 174.600 -0.049 0.000 1.092 180 S CA -0.762 57.414 58.200 -0.040 0.000 1.048 180 S CB 1.060 64.249 63.200 -0.019 0.000 1.053 180 S HN 0.596 nan 8.310 nan 0.000 0.501 181 S N 2.985 118.673 115.700 -0.021 0.000 2.710 181 S HA 0.157 4.627 4.470 0.001 0.000 0.224 181 S C 0.810 175.408 174.600 -0.003 0.000 0.948 181 S CA -0.100 58.097 58.200 -0.006 0.000 0.949 181 S CB -0.235 62.999 63.200 0.056 0.000 0.778 181 S HN 0.771 nan 8.310 nan 0.000 0.498 182 Q N 0.828 120.597 119.800 -0.052 0.000 2.282 182 Q HA 0.279 4.619 4.340 0.001 0.000 0.206 182 Q C 1.538 177.275 176.000 -0.438 0.000 0.878 182 Q CA 0.025 55.791 55.803 -0.061 0.000 0.944 182 Q CB 0.079 28.839 28.738 0.037 0.000 1.100 182 Q HN 0.697 nan 8.270 nan 0.000 0.509 183 N N -0.641 117.778 118.700 -0.468 0.000 2.227 183 N HA -0.029 4.712 4.740 0.001 0.000 0.196 183 N C 1.304 176.430 175.510 -0.640 0.000 1.142 183 N CA 0.191 52.890 53.050 -0.585 0.000 0.887 183 N CB 0.553 38.874 38.487 -0.276 0.000 1.022 183 N HN 0.010 nan 8.380 nan 0.000 0.500 184 Q N -0.138 119.381 119.800 -0.470 0.000 2.396 184 Q HA 0.203 4.543 4.340 0.001 0.000 0.220 184 Q C -0.855 175.075 176.000 -0.116 0.000 0.900 184 Q CA 0.154 55.805 55.803 -0.253 0.000 0.925 184 Q CB 0.352 29.010 28.738 -0.132 0.000 1.065 184 Q HN 0.207 nan 8.270 nan 0.000 0.535 185 F N -0.119 119.833 119.950 0.003 0.000 2.355 185 F HA -0.017 4.511 4.527 0.001 0.000 0.340 185 F C 1.002 176.814 175.800 0.020 0.000 1.097 185 F CA 1.202 59.209 58.000 0.011 0.000 1.174 185 F CB -1.637 37.365 39.000 0.003 0.000 1.642 185 F HN 0.320 nan 8.300 nan 0.000 0.791 186 G N 0.858 109.783 108.800 0.208 0.000 2.603 186 G HA2 -0.254 3.707 3.960 0.001 0.000 0.245 186 G HA3 -0.254 3.707 3.960 0.001 0.000 0.245 186 G C 0.177 175.160 174.900 0.137 0.000 1.195 186 G CA -0.450 44.748 45.100 0.164 0.000 0.953 186 G HN 0.900 nan 8.290 nan 0.000 0.566 187 I N 1.328 122.006 120.570 0.180 0.000 3.221 187 I HA -0.001 4.169 4.170 0.001 0.000 0.337 187 I C 0.621 176.719 176.117 -0.032 0.000 1.175 187 I CA 0.918 62.311 61.300 0.154 0.000 1.488 187 I CB -0.147 37.963 38.000 0.182 0.000 1.280 187 I HN 0.431 nan 8.210 nan 0.000 0.533 188 L N 5.769 126.894 121.223 -0.163 0.000 2.356 188 L HA 0.431 4.771 4.340 0.001 0.000 0.277 188 L C 0.008 176.724 176.870 -0.256 0.000 0.996 188 L CA -0.652 54.075 54.840 -0.189 0.000 0.822 188 L CB 1.920 43.866 42.059 -0.189 0.000 1.256 188 L HN 0.658 nan 8.230 nan 0.000 0.413 189 T N 1.731 116.170 114.554 -0.192 0.000 2.795 189 T HA 0.814 5.165 4.350 0.001 0.000 0.282 189 T C -0.390 174.227 174.700 -0.139 0.000 0.980 189 T CA -0.623 61.394 62.100 -0.138 0.000 1.012 189 T CB 1.460 70.281 68.868 -0.077 0.000 0.936 189 T HN 0.354 nan 8.240 nan 0.000 0.457 190 L N 1.882 122.968 121.223 -0.227 0.000 2.403 190 L HA 0.849 5.189 4.340 0.001 0.000 0.253 190 L C -0.341 176.336 176.870 -0.322 0.000 1.045 190 L CA -1.080 53.478 54.840 -0.469 0.000 0.845 190 L CB 2.578 43.939 42.059 -1.164 0.000 1.447 190 L HN 1.023 nan 8.230 nan 0.000 0.411 191 S N -0.953 114.721 115.700 -0.043 0.000 2.588 191 S HA 0.696 5.166 4.470 0.001 0.000 0.269 191 S C -2.229 172.603 174.600 0.386 0.000 1.157 191 S CA -0.759 57.548 58.200 0.178 0.000 0.824 191 S CB 2.124 65.303 63.200 -0.035 0.000 1.126 191 S HN 0.684 nan 8.310 nan 0.000 0.464 192 W N 2.005 123.317 121.300 0.021 0.000 3.268 192 W HA 0.462 5.123 4.660 0.001 0.000 0.330 192 W C -2.011 174.409 176.519 -0.165 0.000 1.074 192 W CA -0.510 56.801 57.345 -0.056 0.000 1.263 192 W CB 0.625 30.030 29.460 -0.090 0.000 1.250 192 W HN 0.842 nan 8.180 nan 0.000 0.425 193 N N 6.436 124.863 118.700 -0.456 0.000 2.420 193 N HA 0.251 4.992 4.740 0.001 0.000 0.262 193 N C -0.029 174.833 175.510 -1.079 0.000 1.144 193 N CA -0.268 52.441 53.050 -0.569 0.000 0.952 193 N CB 0.984 39.274 38.487 -0.329 0.000 1.081 193 N HN 0.265 nan 8.380 nan 0.000 0.480 194 I N 4.504 124.419 120.570 -1.091 0.000 2.533 194 I HA 0.082 4.252 4.170 0.001 0.000 0.284 194 I C -1.621 174.082 176.117 -0.690 0.000 1.109 194 I CA -1.662 58.864 61.300 -1.290 0.000 1.412 194 I CB 0.181 37.650 38.000 -0.884 0.000 1.396 194 I HN 0.285 nan 8.210 nan 0.000 0.543 195 P HA 0.013 nan 4.420 nan 0.000 0.269 195 P C 0.193 177.387 177.300 -0.176 0.000 1.215 195 P CA -0.225 62.720 63.100 -0.258 0.000 0.780 195 P CB 0.625 32.247 31.700 -0.129 0.000 0.898 196 E N 1.299 121.435 120.200 -0.107 0.000 2.058 196 E HA -0.163 4.188 4.350 0.001 0.000 0.194 196 E C 0.411 176.975 176.600 -0.060 0.000 0.997 196 E CA 0.737 57.090 56.400 -0.077 0.000 0.801 196 E CB -0.418 29.253 29.700 -0.047 0.000 0.746 196 E HN 0.195 nan 8.360 nan 0.000 0.450 197 L N 0.916 122.121 121.223 -0.031 0.000 2.334 197 L HA 0.479 4.819 4.340 0.001 0.000 0.277 197 L C -0.461 176.392 176.870 -0.028 0.000 1.075 197 L CA -0.309 54.506 54.840 -0.041 0.000 0.804 197 L CB 1.814 43.878 42.059 0.009 0.000 1.174 197 L HN 0.175 nan 8.230 nan 0.000 0.438 198 V N 3.815 123.704 119.914 -0.043 0.000 3.216 198 V HA 0.251 4.372 4.120 0.001 0.000 0.273 198 V C -0.968 175.176 176.094 0.083 0.000 1.664 198 V CA -1.112 61.225 62.300 0.063 0.000 1.021 198 V CB 2.363 34.246 31.823 0.099 0.000 1.250 198 V HN 0.835 nan 8.190 nan 0.000 0.463 199 N N 2.780 121.602 118.700 0.203 0.000 2.412 199 N HA 0.167 4.907 4.740 0.001 0.000 0.254 199 N C -0.514 175.129 175.510 0.221 0.000 1.232 199 N CA 0.156 53.274 53.050 0.113 0.000 0.880 199 N CB 0.765 39.244 38.487 -0.014 0.000 1.076 199 N HN 0.513 nan 8.380 nan 0.000 0.458 200 M N 1.282 120.929 119.600 0.079 0.000 2.367 200 M HA 0.392 4.873 4.480 0.001 0.000 0.339 200 M C 0.689 177.043 176.300 0.090 0.000 1.177 200 M CA 0.243 55.608 55.300 0.109 0.000 1.068 200 M CB 1.206 33.826 32.600 0.033 0.000 1.602 200 M HN 0.806 nan 8.290 nan 0.000 0.457 201 G N 1.697 110.581 108.800 0.139 0.000 2.317 201 G HA2 -0.058 3.902 3.960 0.001 0.000 0.196 201 G HA3 -0.058 3.902 3.960 0.001 0.000 0.196 201 G C -1.497 173.465 174.900 0.103 0.000 1.255 201 G CA -0.555 44.594 45.100 0.082 0.000 1.243 201 G HN 0.736 nan 8.290 nan 0.000 0.535 202 V N 1.285 121.194 119.914 -0.008 0.000 2.218 202 V HA 0.432 4.552 4.120 0.001 0.000 0.261 202 V C -0.174 175.824 176.094 -0.159 0.000 1.142 202 V CA -0.314 61.958 62.300 -0.047 0.000 0.965 202 V CB -0.261 31.534 31.823 -0.047 0.000 1.190 202 V HN 0.433 nan 8.190 nan 0.000 0.478 203 W N 3.607 124.614 121.300 -0.489 0.000 2.150 203 W HA 0.459 5.120 4.660 0.001 0.000 0.341 203 W C 0.608 176.773 176.519 -0.589 0.000 1.276 203 W CA -0.400 56.556 57.345 -0.648 0.000 1.238 203 W CB 0.607 29.391 29.460 -1.126 0.000 1.128 203 W HN 0.286 nan 8.180 nan 0.000 0.581 204 K N 3.356 123.668 120.400 -0.148 0.000 2.443 204 K HA 0.512 4.832 4.320 0.001 0.000 0.252 204 K C -0.611 176.009 176.600 0.033 0.000 0.933 204 K CA -0.857 55.409 56.287 -0.034 0.000 0.792 204 K CB 2.068 34.542 32.500 -0.043 0.000 1.185 204 K HN 0.283 nan 8.250 nan 0.000 0.425 205 I N 1.510 122.146 120.570 0.110 0.000 3.110 205 I HA 0.331 4.502 4.170 0.001 0.000 0.314 205 I C -0.064 176.094 176.117 0.067 0.000 1.020 205 I CA -0.614 60.720 61.300 0.057 0.000 1.169 205 I CB 0.879 38.908 38.000 0.048 0.000 1.437 205 I HN 0.534 nan 8.210 nan 0.000 0.595 206 K N 2.030 122.471 120.400 0.068 0.000 2.545 206 K HA 0.593 4.914 4.320 0.001 0.000 0.291 206 K C -2.039 174.613 176.600 0.087 0.000 1.093 206 K CA -0.324 56.019 56.287 0.093 0.000 1.012 206 K CB 1.351 33.895 32.500 0.073 0.000 1.354 206 K HN 0.778 nan 8.250 nan 0.000 0.460 207 A N 3.080 125.968 122.820 0.113 0.000 2.430 207 A HA 0.936 5.257 4.320 0.001 0.000 0.300 207 A C -1.763 175.916 177.584 0.158 0.000 1.124 207 A CA -0.739 51.310 52.037 0.020 0.000 0.766 207 A CB 0.913 19.890 19.000 -0.038 0.000 1.328 207 A HN 0.777 nan 8.150 nan 0.000 0.424 208 Y N -2.723 117.603 120.300 0.043 0.000 2.677 208 Y HA 0.664 5.214 4.550 0.001 0.000 0.334 208 Y C -1.585 174.237 175.900 -0.130 0.000 1.196 208 Y CA -1.444 56.688 58.100 0.054 0.000 1.059 208 Y CB 0.661 39.174 38.460 0.089 0.000 1.315 208 Y HN 0.581 nan 8.280 nan 0.000 0.455 209 Y N 2.171 122.651 120.300 0.300 0.000 2.359 209 Y HA 0.112 4.663 4.550 0.001 0.000 0.330 209 Y C 1.761 177.710 175.900 0.082 0.000 1.143 209 Y CA 0.452 58.595 58.100 0.071 0.000 1.318 209 Y CB 1.435 39.931 38.460 0.060 0.000 1.234 209 Y HN 0.920 nan 8.280 nan 0.000 0.522 210 E N 1.471 121.605 120.200 -0.110 0.000 2.097 210 E HA -0.252 4.099 4.350 0.001 0.000 0.196 210 E C -0.034 176.630 176.600 0.106 0.000 1.000 210 E CA 1.617 57.916 56.400 -0.168 0.000 0.804 210 E CB 0.080 29.543 29.700 -0.395 0.000 0.740 210 E HN 0.699 nan 8.360 nan 0.000 0.454 211 D N 0.459 120.914 120.400 0.092 0.000 3.072 211 D HA 0.059 4.699 4.640 0.001 0.000 0.250 211 D C -0.632 175.699 176.300 0.053 0.000 1.304 211 D CA 0.376 54.417 54.000 0.067 0.000 0.861 211 D CB 0.511 41.332 40.800 0.034 0.000 1.062 211 D HN 0.109 nan 8.370 nan 0.000 0.481 212 S N -0.834 114.911 115.700 0.075 0.000 3.436 212 S HA 0.030 4.501 4.470 0.001 0.000 0.119 212 S C -2.456 172.150 174.600 0.010 0.000 0.846 212 S CA -0.773 57.447 58.200 0.032 0.000 0.817 212 S CB 0.474 63.695 63.200 0.034 0.000 1.390 212 S HN -0.044 nan 8.310 nan 0.000 0.649 213 P HA -0.021 nan 4.420 nan 0.000 0.231 213 P C 1.190 178.255 177.300 -0.392 0.000 1.168 213 P CA 0.692 63.535 63.100 -0.428 0.000 0.779 213 P CB 0.108 31.528 31.700 -0.466 0.000 0.844 214 Q N -0.054 119.619 119.800 -0.211 0.000 2.364 214 Q HA -0.090 4.251 4.340 0.001 0.000 0.209 214 Q C 1.070 176.968 176.000 -0.170 0.000 0.977 214 Q CA 0.893 56.590 55.803 -0.176 0.000 0.885 214 Q CB 0.005 28.669 28.738 -0.122 0.000 0.941 214 Q HN 0.514 nan 8.270 nan 0.000 0.464 215 Q N 0.088 119.785 119.800 -0.172 0.000 2.337 215 Q HA 0.485 4.826 4.340 0.001 0.000 0.266 215 Q C -1.054 174.805 176.000 -0.235 0.000 1.023 215 Q CA -0.642 55.029 55.803 -0.219 0.000 0.829 215 Q CB 2.035 30.625 28.738 -0.248 0.000 1.306 215 Q HN -0.160 nan 8.270 nan 0.000 0.449 216 V N 3.097 122.854 119.914 -0.261 0.000 2.623 216 V HA 0.406 4.526 4.120 0.001 0.000 0.304 216 V C -0.759 175.204 176.094 -0.218 0.000 1.054 216 V CA -0.760 61.475 62.300 -0.107 0.000 0.882 216 V CB 1.312 33.190 31.823 0.090 0.000 1.002 216 V HN 0.680 nan 8.190 nan 0.000 0.424 217 F N 3.007 123.007 119.950 0.084 0.000 2.467 217 F HA 0.478 5.006 4.527 0.001 0.000 0.362 217 F C 1.145 176.977 175.800 0.053 0.000 1.090 217 F CA 0.403 58.432 58.000 0.047 0.000 1.202 217 F CB 1.266 40.270 39.000 0.007 0.000 1.113 217 F HN 0.605 nan 8.300 nan 0.000 0.541 218 S N 2.790 118.600 115.700 0.184 0.000 2.719 218 S HA 0.912 5.382 4.470 0.001 0.000 0.285 218 S C -0.561 174.139 174.600 0.166 0.000 1.137 218 S CA -0.054 58.231 58.200 0.141 0.000 1.012 218 S CB 1.701 64.954 63.200 0.088 0.000 1.134 218 S HN 1.187 nan 8.310 nan 0.000 0.544 219 A N 1.483 124.394 122.820 0.150 0.000 2.171 219 A HA 0.452 4.772 4.320 0.001 0.000 0.303 219 A C -0.684 177.017 177.584 0.194 0.000 1.009 219 A CA -0.598 51.548 52.037 0.181 0.000 1.015 219 A CB -0.142 18.976 19.000 0.196 0.000 1.372 219 A HN 0.936 nan 8.150 nan 0.000 0.355 220 E N 1.625 121.930 120.200 0.176 0.000 2.227 220 E HA 0.884 5.235 4.350 0.001 0.000 0.268 220 E C -0.646 176.119 176.600 0.275 0.000 0.990 220 E CA -0.677 55.815 56.400 0.152 0.000 0.856 220 E CB 1.845 31.584 29.700 0.064 0.000 1.159 220 E HN 1.250 nan 8.360 nan 0.000 0.401 221 F N -1.391 118.658 119.950 0.165 0.000 2.631 221 F HA 0.511 5.038 4.527 0.001 0.000 0.308 221 F C -1.259 174.686 175.800 0.241 0.000 1.097 221 F CA -1.207 56.916 58.000 0.204 0.000 0.952 221 F CB 1.689 40.846 39.000 0.261 0.000 1.307 221 F HN 0.549 nan 8.300 nan 0.000 0.450 222 E N 2.181 122.601 120.200 0.367 0.000 2.179 222 E HA 0.637 4.988 4.350 0.001 0.000 0.275 222 E C -1.836 174.979 176.600 0.359 0.000 0.945 222 E CA -0.969 55.581 56.400 0.250 0.000 0.792 222 E CB 2.101 31.906 29.700 0.176 0.000 1.125 222 E HN 0.681 nan 8.360 nan 0.000 0.397 223 V N 5.554 125.632 119.914 0.273 0.000 2.357 223 V HA 0.363 4.483 4.120 0.001 0.000 0.284 223 V C -0.037 176.166 176.094 0.182 0.000 1.018 223 V CA -0.573 61.874 62.300 0.246 0.000 0.841 223 V CB 1.107 33.022 31.823 0.155 0.000 0.991 223 V HN 0.661 nan 8.190 nan 0.000 0.437 224 K N 3.360 123.854 120.400 0.156 0.000 2.279 224 K HA 0.671 4.991 4.320 0.001 0.000 0.238 224 K C -0.668 175.984 176.600 0.087 0.000 1.084 224 K CA -1.009 55.341 56.287 0.106 0.000 0.885 224 K CB 2.164 34.721 32.500 0.094 0.000 1.319 224 K HN 0.755 nan 8.250 nan 0.000 0.494 225 E N 0.349 120.586 120.200 0.061 0.000 2.222 225 E HA 0.128 4.478 4.350 0.001 0.000 0.272 225 E C -0.946 175.700 176.600 0.076 0.000 0.982 225 E CA -0.846 55.594 56.400 0.066 0.000 0.842 225 E CB 0.769 30.492 29.700 0.038 0.000 1.144 225 E HN 0.429 nan 8.360 nan 0.000 0.397 226 Y N 1.697 121.979 120.300 -0.030 0.000 2.887 226 Y HA -0.013 4.537 4.550 0.001 0.000 0.350 226 Y C -0.823 175.039 175.900 -0.063 0.000 1.294 226 Y CA 0.595 58.666 58.100 -0.049 0.000 1.622 226 Y CB 0.203 38.631 38.460 -0.053 0.000 1.201 226 Y HN 0.241 nan 8.280 nan 0.000 0.546 227 V N 8.753 128.404 119.914 -0.438 0.000 2.407 227 V HA 0.265 4.385 4.120 0.001 0.000 0.291 227 V C -0.850 174.932 176.094 -0.520 0.000 1.018 227 V CA -0.876 61.221 62.300 -0.338 0.000 0.842 227 V CB 1.484 33.171 31.823 -0.227 0.000 0.996 227 V HN 0.598 nan 8.190 nan 0.000 0.426 228 L N 8.446 129.473 121.223 -0.327 0.000 2.457 228 L HA 0.691 5.031 4.340 0.001 0.000 0.252 228 L C -2.239 174.511 176.870 -0.201 0.000 1.132 228 L CA -0.927 53.752 54.840 -0.268 0.000 0.938 228 L CB 1.356 43.390 42.059 -0.042 0.000 1.246 228 L HN 0.471 nan 8.230 nan 0.000 0.476 229 P HA 0.329 nan 4.420 nan 0.000 0.290 229 P C 0.335 177.470 177.300 -0.274 0.000 1.276 229 P CA -0.316 62.593 63.100 -0.318 0.000 0.808 229 P CB 1.873 33.364 31.700 -0.349 0.000 0.966 230 S N 2.672 118.203 115.700 -0.280 0.000 2.395 230 S HA 0.003 4.473 4.470 0.001 0.000 0.225 230 S C 0.647 175.130 174.600 -0.195 0.000 1.027 230 S CA 0.104 58.266 58.200 -0.064 0.000 0.965 230 S CB -0.739 62.557 63.200 0.161 0.000 0.812 230 S HN 0.532 nan 8.310 nan 0.000 0.482 231 F N 1.013 120.690 119.950 -0.455 0.000 2.529 231 F HA 0.776 5.303 4.527 0.001 0.000 0.320 231 F C -0.460 175.166 175.800 -0.291 0.000 1.118 231 F CA -1.840 55.825 58.000 -0.558 0.000 0.915 231 F CB 1.016 39.418 39.000 -0.997 0.000 1.161 231 F HN 0.111 nan 8.300 nan 0.000 0.445 232 E N 2.063 122.281 120.200 0.031 0.000 2.369 232 E HA 0.623 4.974 4.350 0.001 0.000 0.255 232 E C -1.457 175.232 176.600 0.148 0.000 1.172 232 E CA -0.696 55.714 56.400 0.016 0.000 0.932 232 E CB 1.427 31.122 29.700 -0.007 0.000 1.040 232 E HN 0.678 nan 8.360 nan 0.000 0.454 233 V N 3.176 123.139 119.914 0.081 0.000 2.637 233 V HA 0.113 4.233 4.120 0.001 0.000 0.274 233 V C -1.084 175.039 176.094 0.049 0.000 1.004 233 V CA -0.650 61.708 62.300 0.097 0.000 0.894 233 V CB 1.240 33.147 31.823 0.140 0.000 1.046 233 V HN 0.667 nan 8.190 nan 0.000 0.467 234 Q N 4.036 123.858 119.800 0.038 0.000 2.235 234 Q HA 0.756 5.096 4.340 0.001 0.000 0.250 234 Q C -0.999 175.017 176.000 0.027 0.000 0.909 234 Q CA -0.467 55.352 55.803 0.028 0.000 0.910 234 Q CB 2.746 31.497 28.738 0.022 0.000 1.223 234 Q HN 0.556 nan 8.270 nan 0.000 0.432 235 L N 2.222 123.462 121.223 0.028 0.000 2.376 235 L HA 0.455 4.795 4.340 0.001 0.000 0.275 235 L C -0.831 176.054 176.870 0.025 0.000 0.987 235 L CA -0.460 54.398 54.840 0.030 0.000 0.828 235 L CB 1.630 43.712 42.059 0.038 0.000 1.249 235 L HN 0.545 nan 8.230 nan 0.000 0.409 236 E N 4.366 124.576 120.200 0.016 0.000 2.356 236 E HA 0.493 4.844 4.350 0.001 0.000 0.275 236 E C -2.662 173.930 176.600 -0.014 0.000 0.904 236 E CA -1.722 54.678 56.400 0.000 0.000 0.757 236 E CB 2.705 32.401 29.700 -0.008 0.000 1.232 236 E HN 0.167 nan 8.360 nan 0.000 0.442 237 P HA 0.183 nan 4.420 nan 0.000 0.279 237 P C 0.207 177.448 177.300 -0.100 0.000 1.252 237 P CA -0.228 62.828 63.100 -0.074 0.000 0.811 237 P CB 0.952 32.589 31.700 -0.105 0.000 1.035 238 E N 0.253 120.393 120.200 -0.102 0.000 2.409 238 E HA -0.073 4.277 4.350 0.001 0.000 0.198 238 E C -0.109 176.398 176.600 -0.154 0.000 1.024 238 E CA 0.810 57.156 56.400 -0.091 0.000 0.861 238 E CB -0.020 29.648 29.700 -0.053 0.000 0.788 238 E HN 0.521 nan 8.360 nan 0.000 0.521 239 E N 0.146 120.162 120.200 -0.306 0.000 2.388 239 E HA 0.143 4.494 4.350 0.001 0.000 0.280 239 E C -1.215 174.897 176.600 -0.815 0.000 1.019 239 E CA -0.841 55.184 56.400 -0.625 0.000 0.806 239 E CB 1.326 30.481 29.700 -0.909 0.000 1.246 239 E HN -0.168 nan 8.360 nan 0.000 0.443 240 K N 2.236 122.172 120.400 -0.772 0.000 3.322 240 K HA 0.136 4.457 4.320 0.001 0.000 0.291 240 K C -1.257 175.207 176.600 -0.226 0.000 1.131 240 K CA 0.349 56.410 56.287 -0.377 0.000 1.185 240 K CB -0.807 31.635 32.500 -0.098 0.000 1.338 240 K HN 0.408 nan 8.250 nan 0.000 0.380 241 F N -3.424 116.555 119.950 0.049 0.000 3.394 241 F HA 0.331 4.858 4.527 0.001 0.000 0.329 241 F C -2.152 173.743 175.800 0.158 0.000 1.063 241 F CA -1.942 56.095 58.000 0.060 0.000 0.832 241 F CB 0.312 39.310 39.000 -0.003 0.000 1.530 241 F HN -0.144 nan 8.300 nan 0.000 0.459 242 Y N 1.519 122.060 120.300 0.401 0.000 2.274 242 Y HA 0.448 4.998 4.550 0.001 0.000 0.323 242 Y C -1.857 174.158 175.900 0.192 0.000 1.171 242 Y CA -1.661 56.604 58.100 0.276 0.000 1.163 242 Y CB 0.636 39.148 38.460 0.087 0.000 1.183 242 Y HN 0.784 nan 8.280 nan 0.000 0.424 243 Y N 7.493 127.463 120.300 -0.550 0.000 2.650 243 Y HA 0.149 4.699 4.550 0.001 0.000 0.342 243 Y C 1.413 176.730 175.900 -0.971 0.000 1.110 243 Y CA 0.120 57.856 58.100 -0.607 0.000 1.438 243 Y CB 0.247 38.479 38.460 -0.381 0.000 1.181 243 Y HN 0.808 nan 8.280 nan 0.000 0.526 244 I N 2.799 122.767 120.570 -1.003 0.000 2.308 244 I HA -0.514 3.656 4.170 0.001 0.000 0.248 244 I C 1.700 177.518 176.117 -0.497 0.000 1.002 244 I CA 2.251 63.133 61.300 -0.696 0.000 1.307 244 I CB -0.253 37.410 38.000 -0.561 0.000 0.997 244 I HN 0.712 nan 8.210 nan 0.000 0.431 245 D N 0.260 120.353 120.400 -0.512 0.000 2.414 245 D HA -0.090 4.550 4.640 0.001 0.000 0.237 245 D C 0.641 176.945 176.300 0.008 0.000 0.975 245 D CA 0.263 54.158 54.000 -0.175 0.000 0.917 245 D CB -0.832 39.889 40.800 -0.131 0.000 1.061 245 D HN 0.415 nan 8.370 nan 0.000 0.480 246 D N 1.365 121.798 120.400 0.056 0.000 2.772 246 D HA -0.092 4.548 4.640 0.001 0.000 0.227 246 D C -1.591 174.827 176.300 0.197 0.000 1.114 246 D CA -0.745 53.342 54.000 0.144 0.000 0.832 246 D CB 0.630 41.536 40.800 0.177 0.000 1.154 246 D HN 0.090 nan 8.370 nan 0.000 0.514 247 P HA -0.111 nan 4.420 nan 0.000 0.223 247 P C -0.006 177.338 177.300 0.073 0.000 1.144 247 P CA 0.771 63.921 63.100 0.083 0.000 0.783 247 P CB 0.130 31.861 31.700 0.051 0.000 0.771 248 D N 0.664 121.127 120.400 0.105 0.000 2.736 248 D HA 0.047 4.687 4.640 0.001 0.000 0.228 248 D C 1.079 177.419 176.300 0.066 0.000 1.077 248 D CA 0.417 54.467 54.000 0.083 0.000 1.096 248 D CB -0.707 40.155 40.800 0.103 0.000 1.138 248 D HN 0.073 nan 8.370 nan 0.000 0.461 249 G N 0.734 109.523 108.800 -0.018 0.000 2.257 249 G HA2 -0.068 3.892 3.960 0.001 0.000 0.235 249 G HA3 -0.068 3.892 3.960 0.001 0.000 0.235 249 G C 0.511 175.295 174.900 -0.194 0.000 1.225 249 G CA -0.499 44.496 45.100 -0.174 0.000 0.878 249 G HN 0.335 nan 8.290 nan 0.000 0.505 250 L N 2.717 123.732 121.223 -0.346 0.000 2.865 250 L HA -0.041 4.300 4.340 0.001 0.000 0.283 250 L C 1.228 178.003 176.870 -0.159 0.000 1.101 250 L CA 0.705 55.398 54.840 -0.245 0.000 1.061 250 L CB -0.099 41.763 42.059 -0.330 0.000 1.437 250 L HN 0.336 nan 8.230 nan 0.000 0.460 251 K N 3.356 123.706 120.400 -0.083 0.000 2.480 251 K HA 0.116 4.437 4.320 0.001 0.000 0.241 251 K C -0.170 176.415 176.600 -0.025 0.000 1.261 251 K CA -0.244 56.018 56.287 -0.042 0.000 1.193 251 K CB -0.288 32.197 32.500 -0.024 0.000 1.598 251 K HN 0.469 nan 8.250 nan 0.000 0.278 252 V N 0.236 120.145 119.914 -0.009 0.000 2.450 252 V HA -0.005 4.115 4.120 0.001 0.000 0.264 252 V C 0.359 176.467 176.094 0.023 0.000 0.996 252 V CA -0.777 61.533 62.300 0.018 0.000 1.138 252 V CB -0.638 31.237 31.823 0.086 0.000 1.051 252 V HN 0.273 nan 8.190 nan 0.000 0.470 253 N N 5.341 124.043 118.700 0.004 0.000 2.452 253 N HA 0.277 5.018 4.740 0.001 0.000 0.266 253 N C -0.194 175.321 175.510 0.009 0.000 1.209 253 N CA -0.082 52.971 53.050 0.004 0.000 0.929 253 N CB 0.241 38.727 38.487 -0.003 0.000 1.063 253 N HN 0.796 nan 8.380 nan 0.000 0.472 254 I N 3.182 123.756 120.570 0.007 0.000 2.428 254 I HA 0.315 4.485 4.170 0.001 0.000 0.289 254 I C 0.096 176.214 176.117 0.002 0.000 1.019 254 I CA -0.463 60.841 61.300 0.006 0.000 1.351 254 I CB 0.777 38.775 38.000 -0.003 0.000 1.412 254 I HN 0.272 nan 8.210 nan 0.000 0.513 255 I N 5.710 126.285 120.570 0.008 0.000 2.448 255 I HA 0.459 4.629 4.170 0.001 0.000 0.281 255 I C -0.183 175.942 176.117 0.014 0.000 1.027 255 I CA -0.293 61.013 61.300 0.009 0.000 1.111 255 I CB 1.652 39.661 38.000 0.015 0.000 1.236 255 I HN 0.699 nan 8.210 nan 0.000 0.452 256 A N 7.439 130.254 122.820 -0.007 0.000 2.709 256 A HA 0.677 4.997 4.320 0.001 0.000 0.332 256 A C -0.153 177.390 177.584 -0.069 0.000 1.241 256 A CA -0.625 51.398 52.037 -0.023 0.000 0.782 256 A CB 0.281 19.230 19.000 -0.086 0.000 1.109 256 A HN 0.808 nan 8.150 nan 0.000 0.472 257 R N 0.342 120.850 120.500 0.014 0.000 2.873 257 R HA 0.789 5.129 4.340 0.001 0.000 0.264 257 R C -1.218 175.152 176.300 0.118 0.000 1.026 257 R CA -0.722 55.419 56.100 0.069 0.000 1.002 257 R CB 0.900 31.265 30.300 0.107 0.000 1.174 257 R HN 0.210 nan 8.270 nan 0.000 0.488 258 F N 1.042 121.074 119.950 0.136 0.000 2.459 258 F HA 0.120 4.647 4.527 0.001 0.000 0.346 258 F C 1.635 177.489 175.800 0.091 0.000 1.128 258 F CA -0.228 57.880 58.000 0.180 0.000 1.268 258 F CB 0.781 39.909 39.000 0.213 0.000 1.161 258 F HN 0.405 nan 8.300 nan 0.000 0.583 259 L N 2.783 124.087 121.223 0.135 0.000 2.651 259 L HA -0.234 4.106 4.340 0.001 0.000 0.236 259 L C 0.813 177.548 176.870 -0.226 0.000 1.173 259 L CA 1.029 55.793 54.840 -0.127 0.000 0.843 259 L CB -0.575 41.286 42.059 -0.330 0.000 0.964 259 L HN 0.698 nan 8.230 nan 0.000 0.454 260 Y N -1.296 119.082 120.300 0.130 0.000 2.594 260 Y HA 0.269 4.819 4.550 0.001 0.000 0.283 260 Y C 1.977 178.018 175.900 0.236 0.000 1.140 260 Y CA 0.468 58.608 58.100 0.066 0.000 1.261 260 Y CB 0.434 39.001 38.460 0.179 0.000 1.358 260 Y HN 0.003 nan 8.280 nan 0.000 0.513 261 G N -1.000 108.087 108.800 0.477 0.000 3.758 261 G HA2 -0.082 3.878 3.960 0.001 0.000 0.206 261 G HA3 -0.082 3.878 3.960 0.001 0.000 0.206 261 G C -0.348 174.722 174.900 0.283 0.000 0.946 261 G CA -0.604 44.716 45.100 0.366 0.000 0.885 261 G HN 0.102 nan 8.290 nan 0.000 0.392 262 E N 2.319 122.677 120.200 0.264 0.000 2.493 262 E HA 0.188 4.538 4.350 0.001 0.000 0.255 262 E C -0.147 176.599 176.600 0.245 0.000 0.999 262 E CA 0.103 56.599 56.400 0.161 0.000 0.934 262 E CB 0.520 30.212 29.700 -0.013 0.000 0.940 262 E HN 0.190 nan 8.360 nan 0.000 0.473 263 Q N 1.960 121.855 119.800 0.158 0.000 2.289 263 Q HA 0.079 4.419 4.340 0.001 0.000 0.273 263 Q C -0.185 175.893 176.000 0.131 0.000 1.029 263 Q CA 0.049 55.930 55.803 0.130 0.000 0.896 263 Q CB 1.040 29.822 28.738 0.072 0.000 1.182 263 Q HN 0.320 nan 8.270 nan 0.000 0.385 264 V N 3.082 123.045 119.914 0.082 0.000 2.715 264 V HA 0.013 4.133 4.120 0.001 0.000 0.299 264 V C 0.368 176.427 176.094 -0.058 0.000 1.054 264 V CA 0.331 62.612 62.300 -0.033 0.000 1.077 264 V CB 1.077 32.697 31.823 -0.337 0.000 0.972 264 V HN 0.662 nan 8.190 nan 0.000 0.484 265 D N 2.926 123.292 120.400 -0.056 0.000 2.389 265 D HA 0.566 5.206 4.640 0.001 0.000 0.256 265 D C 0.112 176.374 176.300 -0.063 0.000 1.239 265 D CA 0.296 54.268 54.000 -0.046 0.000 0.925 265 D CB 1.540 42.334 40.800 -0.010 0.000 1.145 265 D HN 0.706 nan 8.370 nan 0.000 0.542 266 G N 0.681 109.427 108.800 -0.089 0.000 3.111 266 G HA2 0.533 4.493 3.960 0.001 0.000 0.158 266 G HA3 0.533 4.493 3.960 0.001 0.000 0.158 266 G C -0.896 173.964 174.900 -0.066 0.000 1.161 266 G CA -0.101 44.956 45.100 -0.071 0.000 1.025 266 G HN 0.294 nan 8.290 nan 0.000 0.619 267 T N -1.644 112.880 114.554 -0.050 0.000 3.041 267 T HA 0.726 5.076 4.350 0.001 0.000 0.321 267 T C -1.286 173.382 174.700 -0.052 0.000 1.184 267 T CA 0.534 62.578 62.100 -0.092 0.000 1.050 267 T CB 1.349 70.146 68.868 -0.119 0.000 1.159 267 T HN 1.779 nan 8.240 nan 0.000 0.469 268 A N 3.517 126.247 122.820 -0.149 0.000 2.371 268 A HA 0.830 5.151 4.320 0.001 0.000 0.311 268 A C -1.148 176.321 177.584 -0.192 0.000 1.068 268 A CA -0.826 51.195 52.037 -0.026 0.000 0.744 268 A CB 0.919 19.918 19.000 -0.002 0.000 1.239 268 A HN 0.778 nan 8.150 nan 0.000 0.435 269 F N 2.216 122.146 119.950 -0.035 0.000 2.361 269 F HA 0.475 5.003 4.527 0.001 0.000 0.364 269 F C 0.227 175.968 175.800 -0.098 0.000 1.120 269 F CA -0.610 57.357 58.000 -0.056 0.000 1.102 269 F CB 1.754 40.731 39.000 -0.039 0.000 1.183 269 F HN 0.339 nan 8.300 nan 0.000 0.476 270 V N 4.205 124.084 119.914 -0.058 0.000 2.612 270 V HA 0.573 4.694 4.120 0.001 0.000 0.301 270 V C -0.078 175.791 176.094 -0.374 0.000 1.046 270 V CA -0.961 61.195 62.300 -0.240 0.000 0.946 270 V CB 1.946 33.541 31.823 -0.381 0.000 1.003 270 V HN 0.567 nan 8.190 nan 0.000 0.459 271 I N 3.203 123.492 120.570 -0.467 0.000 2.563 271 I HA 0.397 4.567 4.170 0.001 0.000 0.281 271 I C -0.775 175.096 176.117 -0.408 0.000 1.110 271 I CA -0.131 60.929 61.300 -0.400 0.000 1.073 271 I CB 1.042 38.966 38.000 -0.127 0.000 1.215 271 I HN 0.409 nan 8.210 nan 0.000 0.460 272 F N 3.158 123.050 119.950 -0.096 0.000 2.390 272 F HA 0.778 5.305 4.527 0.001 0.000 0.307 272 F C 1.235 176.855 175.800 -0.300 0.000 1.227 272 F CA -0.473 57.395 58.000 -0.219 0.000 1.179 272 F CB 0.634 39.526 39.000 -0.179 0.000 1.280 272 F HN 0.463 nan 8.300 nan 0.000 0.548 273 G N -0.370 108.242 108.800 -0.314 0.000 2.289 273 G HA2 0.423 4.383 3.960 0.001 0.000 0.315 273 G HA3 0.423 4.383 3.960 0.001 0.000 0.315 273 G C -1.741 172.962 174.900 -0.328 0.000 1.587 273 G CA -0.912 43.994 45.100 -0.323 0.000 0.949 273 G HN 0.528 nan 8.290 nan 0.000 0.626 274 V N 1.621 121.502 119.914 -0.054 0.000 2.872 274 V HA 0.404 4.524 4.120 0.001 0.000 0.307 274 V C 0.617 176.803 176.094 0.154 0.000 1.072 274 V CA 0.294 62.613 62.300 0.031 0.000 1.148 274 V CB 1.492 33.339 31.823 0.040 0.000 0.954 274 V HN 0.887 nan 8.190 nan 0.000 0.490 275 Q N 1.907 121.807 119.800 0.166 0.000 2.331 275 Q HA 0.350 4.691 4.340 0.001 0.000 0.272 275 Q C -1.033 175.032 176.000 0.109 0.000 1.062 275 Q CA -0.679 55.235 55.803 0.185 0.000 0.806 275 Q CB 2.079 30.979 28.738 0.269 0.000 1.312 275 Q HN 0.746 nan 8.270 nan 0.000 0.431 276 D N 2.447 122.895 120.400 0.081 0.000 2.395 276 D HA 0.240 4.880 4.640 0.001 0.000 0.213 276 D C 0.834 177.160 176.300 0.043 0.000 1.110 276 D CA 1.029 55.062 54.000 0.055 0.000 0.835 276 D CB 1.201 42.027 40.800 0.043 0.000 0.965 276 D HN 0.865 nan 8.370 nan 0.000 0.505 277 G N 0.357 109.184 108.800 0.045 0.000 2.316 277 G HA2 -0.206 3.755 3.960 0.001 0.000 0.203 277 G HA3 -0.206 3.755 3.960 0.001 0.000 0.203 277 G C 0.631 175.544 174.900 0.022 0.000 0.999 277 G CA 0.240 45.359 45.100 0.032 0.000 0.649 277 G HN 0.318 nan 8.290 nan 0.000 0.489 278 D N -0.096 120.317 120.400 0.021 0.000 3.018 278 D HA 0.077 4.718 4.640 0.001 0.000 0.198 278 D C 1.142 177.447 176.300 0.008 0.000 1.474 278 D CA 0.200 54.206 54.000 0.010 0.000 1.429 278 D CB 0.691 41.496 40.800 0.009 0.000 1.289 278 D HN 0.509 nan 8.370 nan 0.000 0.310 279 R N 1.206 121.719 120.500 0.021 0.000 2.594 279 R HA 0.476 4.816 4.340 0.001 0.000 0.272 279 R C -0.140 176.194 176.300 0.057 0.000 1.074 279 R CA -0.139 55.978 56.100 0.029 0.000 1.105 279 R CB 1.067 31.388 30.300 0.034 0.000 1.008 279 R HN -0.113 nan 8.270 nan 0.000 0.472 280 R N 2.423 122.957 120.500 0.057 0.000 2.393 280 R HA 0.338 4.678 4.340 0.001 0.000 0.315 280 R C -0.670 175.718 176.300 0.147 0.000 0.952 280 R CA -0.668 55.512 56.100 0.133 0.000 0.842 280 R CB 1.602 31.914 30.300 0.020 0.000 1.163 280 R HN 0.693 nan 8.270 nan 0.000 0.450 281 I N 3.381 124.061 120.570 0.183 0.000 2.395 281 I HA 0.084 4.254 4.170 0.001 0.000 0.282 281 I C 0.056 176.251 176.117 0.129 0.000 1.107 281 I CA -0.313 61.060 61.300 0.121 0.000 1.210 281 I CB 0.640 38.691 38.000 0.085 0.000 1.456 281 I HN 0.592 nan 8.210 nan 0.000 0.504 282 S N 7.116 122.901 115.700 0.143 0.000 2.711 282 S HA 0.106 4.576 4.470 0.001 0.000 0.335 282 S C 0.258 174.891 174.600 0.055 0.000 1.175 282 S CA -0.431 57.843 58.200 0.123 0.000 1.372 282 S CB -0.539 62.730 63.200 0.114 0.000 1.337 282 S HN 0.615 nan 8.310 nan 0.000 0.572 283 L N 4.148 125.398 121.223 0.045 0.000 2.774 283 L HA -0.001 4.340 4.340 0.001 0.000 0.284 283 L C 2.274 179.159 176.870 0.024 0.000 1.149 283 L CA -0.119 54.748 54.840 0.045 0.000 1.069 283 L CB -1.040 41.061 42.059 0.071 0.000 1.407 283 L HN 0.919 nan 8.230 nan 0.000 0.460 284 T N -1.553 112.970 114.554 -0.052 0.000 2.653 284 T HA -0.304 4.046 4.350 0.001 0.000 0.268 284 T C 1.644 176.274 174.700 -0.117 0.000 1.035 284 T CA 1.575 63.600 62.100 -0.125 0.000 1.154 284 T CB -0.338 68.390 68.868 -0.234 0.000 0.862 284 T HN 0.572 nan 8.240 nan 0.000 0.441 285 H N 1.235 120.336 119.070 0.052 0.000 2.421 285 H HA 0.081 4.638 4.556 0.001 0.000 0.298 285 H C 2.894 178.268 175.328 0.076 0.000 1.087 285 H CA 1.150 57.231 56.048 0.055 0.000 1.330 285 H CB -0.680 29.109 29.762 0.046 0.000 1.388 285 H HN 0.442 nan 8.280 nan 0.000 0.526 286 S N 1.319 117.145 115.700 0.211 0.000 2.406 286 S HA -0.197 4.274 4.470 0.001 0.000 0.242 286 S C 1.292 176.007 174.600 0.191 0.000 1.079 286 S CA 1.212 59.581 58.200 0.282 0.000 1.133 286 S CB -0.983 62.412 63.200 0.324 0.000 1.005 286 S HN 0.439 nan 8.310 nan 0.000 0.443 287 L N 1.876 123.121 121.223 0.037 0.000 2.578 287 L HA 0.299 4.639 4.340 0.001 0.000 0.279 287 L C -0.311 176.577 176.870 0.030 0.000 1.227 287 L CA -0.199 54.625 54.840 -0.027 0.000 0.900 287 L CB -0.460 41.596 42.059 -0.006 0.000 1.144 287 L HN 0.098 nan 8.230 nan 0.000 0.496 288 T N 0.707 115.254 114.554 -0.012 0.000 2.952 288 T HA 0.338 4.689 4.350 0.001 0.000 0.305 288 T C -0.370 174.266 174.700 -0.107 0.000 1.064 288 T CA -0.900 61.191 62.100 -0.014 0.000 1.008 288 T CB 1.820 70.702 68.868 0.023 0.000 1.078 288 T HN 0.761 nan 8.240 nan 0.000 0.459 289 R N 2.659 123.053 120.500 -0.176 0.000 2.608 289 R HA 0.426 4.767 4.340 0.001 0.000 0.277 289 R C -0.798 175.319 176.300 -0.304 0.000 1.341 289 R CA -0.358 55.481 56.100 -0.434 0.000 1.199 289 R CB -0.423 29.527 30.300 -0.583 0.000 1.156 289 R HN 0.577 nan 8.270 nan 0.000 0.558 290 V N 7.162 126.936 119.914 -0.233 0.000 2.405 290 V HA 0.198 4.319 4.120 0.001 0.000 0.264 290 V C -1.598 174.397 176.094 -0.166 0.000 1.048 290 V CA -1.623 60.589 62.300 -0.148 0.000 0.966 290 V CB 0.804 32.576 31.823 -0.085 0.000 1.015 290 V HN 0.724 nan 8.190 nan 0.000 0.477 291 P HA 0.151 nan 4.420 nan 0.000 0.267 291 P C -0.455 176.791 177.300 -0.090 0.000 1.205 291 P CA 0.143 63.171 63.100 -0.121 0.000 0.765 291 P CB 0.917 32.563 31.700 -0.089 0.000 0.828 292 I N 4.039 124.556 120.570 -0.089 0.000 2.287 292 I HA 0.164 4.334 4.170 0.001 0.000 0.290 292 I C 0.542 176.623 176.117 -0.061 0.000 1.069 292 I CA -0.297 60.960 61.300 -0.072 0.000 1.237 292 I CB 0.101 38.051 38.000 -0.082 0.000 1.418 292 I HN 0.166 nan 8.210 nan 0.000 0.481 293 N N 6.862 125.535 118.700 -0.044 0.000 2.437 293 N HA 0.097 4.838 4.740 0.001 0.000 0.259 293 N C 0.039 175.536 175.510 -0.022 0.000 0.983 293 N CA -0.124 52.907 53.050 -0.031 0.000 0.937 293 N CB 1.548 40.020 38.487 -0.025 0.000 1.122 293 N HN 0.581 nan 8.380 nan 0.000 0.499 294 D N 1.670 122.060 120.400 -0.017 0.000 3.041 294 D HA -0.165 4.475 4.640 0.001 0.000 0.220 294 D C 0.592 176.890 176.300 -0.004 0.000 1.157 294 D CA 1.352 55.350 54.000 -0.003 0.000 0.876 294 D CB -0.763 40.038 40.800 0.003 0.000 1.107 294 D HN 1.015 nan 8.370 nan 0.000 0.422 295 G N 0.349 109.135 108.800 -0.024 0.000 2.149 295 G HA2 -0.297 3.663 3.960 0.001 0.000 0.235 295 G HA3 -0.297 3.663 3.960 0.001 0.000 0.235 295 G C -0.063 174.826 174.900 -0.019 0.000 1.018 295 G CA 0.290 45.373 45.100 -0.029 0.000 0.728 295 G HN 0.499 nan 8.290 nan 0.000 0.508 296 N N 0.473 119.160 118.700 -0.021 0.000 2.664 296 N HA 0.519 5.259 4.740 0.001 0.000 0.257 296 N C 0.355 175.852 175.510 -0.022 0.000 1.108 296 N CA 0.006 53.046 53.050 -0.015 0.000 0.822 296 N CB 1.287 39.769 38.487 -0.008 0.000 1.199 296 N HN 0.400 nan 8.380 nan 0.000 0.529 297 G N 0.801 109.586 108.800 -0.024 0.000 2.597 297 G HA2 0.566 4.526 3.960 0.001 0.000 0.317 297 G HA3 0.566 4.526 3.960 0.001 0.000 0.317 297 G C -0.823 174.067 174.900 -0.015 0.000 1.230 297 G CA -0.273 44.809 45.100 -0.030 0.000 0.996 297 G HN 0.341 nan 8.290 nan 0.000 0.490 298 E N -0.709 119.482 120.200 -0.014 0.000 2.294 298 E HA 0.471 4.821 4.350 0.001 0.000 0.272 298 E C -0.952 175.663 176.600 0.024 0.000 0.896 298 E CA -0.732 55.671 56.400 0.005 0.000 0.802 298 E CB 2.101 31.801 29.700 -0.001 0.000 1.267 298 E HN 0.580 nan 8.360 nan 0.000 0.406 299 A N 5.097 127.961 122.820 0.073 0.000 2.654 299 A HA 0.431 4.751 4.320 0.001 0.000 0.345 299 A C -0.014 177.696 177.584 0.210 0.000 1.368 299 A CA -0.484 51.656 52.037 0.172 0.000 0.895 299 A CB -0.362 18.763 19.000 0.210 0.000 1.143 299 A HN 0.572 nan 8.150 nan 0.000 0.490 300 I N 1.336 121.949 120.570 0.072 0.000 2.882 300 I HA 0.182 4.352 4.170 0.001 0.000 0.286 300 I C 0.189 176.238 176.117 -0.113 0.000 1.139 300 I CA -0.282 60.990 61.300 -0.047 0.000 1.379 300 I CB 0.807 38.782 38.000 -0.041 0.000 1.410 300 I HN 0.373 nan 8.210 nan 0.000 0.594 301 L N 5.295 126.326 121.223 -0.320 0.000 2.514 301 L HA 0.359 4.699 4.340 0.001 0.000 0.257 301 L C -0.273 176.418 176.870 -0.298 0.000 1.101 301 L CA -0.492 54.099 54.840 -0.415 0.000 0.911 301 L CB 0.596 42.005 42.059 -1.084 0.000 1.162 301 L HN 0.721 nan 8.230 nan 0.000 0.477 302 K N 2.312 122.623 120.400 -0.149 0.000 2.229 302 K HA 0.104 4.424 4.320 0.001 0.000 0.250 302 K C 0.604 177.156 176.600 -0.079 0.000 1.016 302 K CA -0.178 56.054 56.287 -0.092 0.000 0.866 302 K CB 0.826 33.298 32.500 -0.045 0.000 1.028 302 K HN 0.427 nan 8.250 nan 0.000 0.514 303 R N 1.183 121.663 120.500 -0.032 0.000 2.363 303 R HA -0.032 4.308 4.340 0.001 0.000 0.236 303 R C 1.349 177.639 176.300 -0.017 0.000 0.966 303 R CA 0.243 56.336 56.100 -0.011 0.000 1.100 303 R CB 0.030 30.341 30.300 0.019 0.000 1.125 303 R HN 0.566 nan 8.270 nan 0.000 0.514 304 Q N -0.248 119.536 119.800 -0.027 0.000 2.137 304 Q HA -0.041 4.299 4.340 0.001 0.000 0.198 304 Q C 1.519 177.496 176.000 -0.039 0.000 0.960 304 Q CA 1.075 56.858 55.803 -0.034 0.000 0.847 304 Q CB 0.412 29.127 28.738 -0.038 0.000 0.915 304 Q HN 0.147 nan 8.270 nan 0.000 0.448 305 V N 0.465 120.368 119.914 -0.018 0.000 3.649 305 V HA -0.022 4.099 4.120 0.001 0.000 0.275 305 V C 1.640 177.752 176.094 0.029 0.000 1.281 305 V CA 0.636 62.949 62.300 0.021 0.000 1.143 305 V CB -0.029 31.845 31.823 0.085 0.000 0.892 305 V HN 0.294 nan 8.190 nan 0.000 0.441 306 L N -0.784 120.442 121.223 0.004 0.000 2.253 306 L HA 0.160 4.501 4.340 0.001 0.000 0.205 306 L C 1.950 178.826 176.870 0.009 0.000 1.078 306 L CA 0.784 55.630 54.840 0.009 0.000 0.805 306 L CB 0.058 42.122 42.059 0.008 0.000 0.963 306 L HN 0.282 nan 8.230 nan 0.000 0.459 307 L N -0.155 121.069 121.223 0.000 0.000 2.633 307 L HA -0.116 4.224 4.340 0.001 0.000 0.235 307 L C 1.285 178.155 176.870 0.001 0.000 1.163 307 L CA 0.972 55.810 54.840 -0.003 0.000 0.859 307 L CB -0.460 41.592 42.059 -0.011 0.000 0.973 307 L HN 0.388 nan 8.230 nan 0.000 0.451 308 N N -1.615 117.092 118.700 0.012 0.000 2.297 308 N HA 0.058 4.798 4.740 0.001 0.000 0.208 308 N C 1.843 177.382 175.510 0.048 0.000 1.176 308 N CA 0.389 53.457 53.050 0.031 0.000 0.882 308 N CB 0.360 38.870 38.487 0.038 0.000 1.134 308 N HN 0.230 nan 8.380 nan 0.000 0.489 309 G N 2.129 110.955 108.800 0.043 0.000 3.026 309 G HA2 -0.291 3.669 3.960 0.001 0.000 0.247 309 G HA3 -0.291 3.669 3.960 0.001 0.000 0.247 309 G C 0.499 175.423 174.900 0.041 0.000 1.106 309 G CA 1.323 46.448 45.100 0.043 0.000 0.754 309 G HN 0.136 nan 8.290 nan 0.000 0.899 310 V N -0.656 119.276 119.914 0.030 0.000 3.102 310 V HA 0.354 4.475 4.120 0.001 0.000 0.312 310 V C 1.076 177.182 176.094 0.020 0.000 1.135 310 V CA -0.040 62.277 62.300 0.027 0.000 1.022 310 V CB 1.647 33.486 31.823 0.027 0.000 1.056 310 V HN 0.645 nan 8.190 nan 0.000 0.436 311 Q N 2.352 122.163 119.800 0.018 0.000 1.891 311 Q HA -0.075 4.265 4.340 0.001 0.000 0.214 311 Q C -0.930 175.075 176.000 0.008 0.000 0.995 311 Q CA 1.937 57.748 55.803 0.013 0.000 0.866 311 Q CB -0.769 27.976 28.738 0.011 0.000 0.931 311 Q HN 0.722 nan 8.270 nan 0.000 0.422 312 P HA 0.103 nan 4.420 nan 0.000 0.237 312 P C -0.360 176.941 177.300 0.002 0.000 1.723 312 P CA 0.075 63.177 63.100 0.004 0.000 0.882 312 P CB 0.505 32.207 31.700 0.004 0.000 1.810 313 S N 1.075 116.776 115.700 0.002 0.000 2.330 313 S HA 0.041 4.511 4.470 0.001 0.000 0.204 313 S C 0.718 175.311 174.600 -0.012 0.000 1.444 313 S CA 0.184 58.382 58.200 -0.002 0.000 1.682 313 S CB -0.145 63.055 63.200 0.000 0.000 0.487 313 S HN 0.358 nan 8.310 nan 0.000 0.381 314 R N -1.567 118.922 120.500 -0.018 0.000 3.948 314 R HA -0.168 4.173 4.340 0.001 0.000 0.462 314 R C 0.621 176.894 176.300 -0.044 0.000 0.241 314 R CA 0.693 56.775 56.100 -0.030 0.000 1.455 314 R CB -1.457 28.828 30.300 -0.025 0.000 1.112 314 R HN 0.738 nan 8.270 nan 0.000 0.510 315 A N 0.781 123.563 122.820 -0.063 0.000 2.209 315 A HA -0.136 4.184 4.320 0.001 0.000 0.212 315 A C 1.595 179.142 177.584 -0.062 0.000 1.158 315 A CA 1.886 53.870 52.037 -0.088 0.000 0.742 315 A CB -0.373 18.555 19.000 -0.120 0.000 0.790 315 A HN 0.648 nan 8.150 nan 0.000 0.472 316 D N -0.153 120.222 120.400 -0.041 0.000 2.277 316 D HA 0.103 4.743 4.640 0.001 0.000 0.208 316 D C 1.264 177.552 176.300 -0.021 0.000 0.962 316 D CA 1.318 55.302 54.000 -0.028 0.000 0.865 316 D CB 0.026 40.814 40.800 -0.020 0.000 0.939 316 D HN 0.313 nan 8.370 nan 0.000 0.510 317 A N -0.110 122.698 122.820 -0.020 0.000 2.498 317 A HA 0.224 4.545 4.320 0.001 0.000 0.238 317 A C 1.407 178.985 177.584 -0.010 0.000 1.225 317 A CA -0.294 51.737 52.037 -0.011 0.000 0.978 317 A CB 0.234 19.231 19.000 -0.004 0.000 1.142 317 A HN 0.222 nan 8.150 nan 0.000 0.552 318 L N 1.439 122.648 121.223 -0.023 0.000 2.653 318 L HA 0.253 4.593 4.340 0.001 0.000 0.232 318 L C -0.202 176.650 176.870 -0.030 0.000 1.169 318 L CA 0.799 55.627 54.840 -0.022 0.000 0.951 318 L CB -0.365 41.674 42.059 -0.032 0.000 1.181 318 L HN 0.160 nan 8.230 nan 0.000 0.460 319 V N -1.741 118.155 119.914 -0.030 0.000 2.994 319 V HA 0.746 4.866 4.120 0.001 0.000 0.318 319 V C 1.262 177.352 176.094 -0.006 0.000 1.085 319 V CA -0.157 62.125 62.300 -0.030 0.000 0.998 319 V CB 1.379 33.175 31.823 -0.044 0.000 1.063 319 V HN 0.372 nan 8.190 nan 0.000 0.447 320 G N 1.658 110.459 108.800 0.001 0.000 2.184 320 G HA2 -0.281 3.679 3.960 0.001 0.000 0.264 320 G HA3 -0.281 3.679 3.960 0.001 0.000 0.264 320 G C 0.190 175.107 174.900 0.028 0.000 0.975 320 G CA 0.505 45.612 45.100 0.013 0.000 0.642 320 G HN 0.693 nan 8.290 nan 0.000 0.536 321 K N 1.777 122.196 120.400 0.031 0.000 2.378 321 K HA 0.461 4.781 4.320 0.001 0.000 0.288 321 K C 0.339 176.979 176.600 0.067 0.000 1.057 321 K CA 0.538 56.853 56.287 0.047 0.000 0.971 321 K CB 0.432 32.957 32.500 0.042 0.000 0.975 321 K HN 0.237 nan 8.250 nan 0.000 0.475 322 S N 4.891 120.638 115.700 0.078 0.000 2.567 322 S HA 0.349 4.819 4.470 0.001 0.000 0.262 322 S C 0.184 174.852 174.600 0.113 0.000 1.237 322 S CA -0.809 57.449 58.200 0.097 0.000 1.093 322 S CB -0.225 63.036 63.200 0.101 0.000 1.095 322 S HN 0.448 nan 8.310 nan 0.000 0.489 323 I N 4.571 125.182 120.570 0.068 0.000 2.421 323 I HA 0.160 4.330 4.170 0.001 0.000 0.291 323 I C 0.089 176.208 176.117 0.003 0.000 1.089 323 I CA -0.637 60.656 61.300 -0.011 0.000 1.354 323 I CB 0.004 37.971 38.000 -0.055 0.000 1.413 323 I HN 0.640 nan 8.210 nan 0.000 0.513 324 Y N 5.669 126.016 120.300 0.078 0.000 2.335 324 Y HA 0.738 5.289 4.550 0.001 0.000 0.323 324 Y C -0.597 175.361 175.900 0.098 0.000 1.224 324 Y CA -1.262 56.881 58.100 0.071 0.000 1.241 324 Y CB 0.856 39.346 38.460 0.051 0.000 1.235 324 Y HN 0.172 nan 8.280 nan 0.000 0.492 325 V N 3.544 123.544 119.914 0.143 0.000 2.610 325 V HA 0.421 4.541 4.120 0.001 0.000 0.298 325 V C -0.988 175.171 176.094 0.109 0.000 1.067 325 V CA -0.543 61.800 62.300 0.070 0.000 0.894 325 V CB 1.591 33.501 31.823 0.146 0.000 1.015 325 V HN 1.052 nan 8.190 nan 0.000 0.432 326 S N 3.803 119.566 115.700 0.106 0.000 2.532 326 S HA 1.008 5.478 4.470 0.001 0.000 0.301 326 S C -0.312 174.290 174.600 0.003 0.000 1.083 326 S CA -0.059 58.188 58.200 0.078 0.000 1.025 326 S CB 2.607 65.882 63.200 0.126 0.000 1.056 326 S HN 1.433 nan 8.310 nan 0.000 0.494 327 A N 1.422 124.248 122.820 0.011 0.000 2.535 327 A HA 0.976 5.296 4.320 0.001 0.000 0.296 327 A C -0.774 176.841 177.584 0.052 0.000 1.248 327 A CA -0.718 51.327 52.037 0.013 0.000 0.686 327 A CB 1.037 20.028 19.000 -0.015 0.000 1.315 327 A HN 1.518 nan 8.150 nan 0.000 0.460 328 T N -1.356 113.256 114.554 0.096 0.000 3.071 328 T HA 0.591 4.942 4.350 0.001 0.000 0.311 328 T C -1.161 173.656 174.700 0.195 0.000 1.042 328 T CA -0.502 61.666 62.100 0.114 0.000 1.028 328 T CB 0.899 69.807 68.868 0.066 0.000 1.068 328 T HN 1.007 nan 8.240 nan 0.000 0.451 329 V N 4.244 124.282 119.914 0.208 0.000 2.347 329 V HA 0.493 4.614 4.120 0.001 0.000 0.280 329 V C 0.207 176.486 176.094 0.308 0.000 1.021 329 V CA -0.963 61.479 62.300 0.237 0.000 0.847 329 V CB 0.712 32.654 31.823 0.199 0.000 0.990 329 V HN 0.946 nan 8.190 nan 0.000 0.444 330 I N 3.135 123.847 120.570 0.237 0.000 2.312 330 I HA 0.491 4.662 4.170 0.001 0.000 0.290 330 I C -0.017 176.173 176.117 0.122 0.000 1.008 330 I CA -0.567 60.859 61.300 0.209 0.000 1.226 330 I CB 0.940 39.043 38.000 0.171 0.000 1.371 330 I HN 0.374 nan 8.210 nan 0.000 0.468 331 L N 5.530 126.825 121.223 0.120 0.000 2.578 331 L HA -0.023 4.317 4.340 0.001 0.000 0.279 331 L C 1.617 178.517 176.870 0.050 0.000 1.227 331 L CA 0.691 55.540 54.840 0.015 0.000 0.900 331 L CB 0.640 42.766 42.059 0.112 0.000 1.144 331 L HN 0.806 nan 8.230 nan 0.000 0.496 332 Q N 1.153 120.965 119.800 0.020 0.000 2.119 332 Q HA -0.182 4.158 4.340 0.001 0.000 0.201 332 Q C 2.154 178.177 176.000 0.039 0.000 0.972 332 Q CA 1.619 57.441 55.803 0.030 0.000 0.847 332 Q CB 0.165 28.911 28.738 0.012 0.000 0.903 332 Q HN 0.998 nan 8.270 nan 0.000 0.433 333 S N -1.024 114.705 115.700 0.048 0.000 2.381 333 S HA -0.196 4.275 4.470 0.001 0.000 0.230 333 S C 1.613 176.244 174.600 0.052 0.000 1.052 333 S CA 1.554 59.788 58.200 0.057 0.000 1.068 333 S CB -0.417 62.839 63.200 0.094 0.000 0.918 333 S HN 0.479 nan 8.310 nan 0.000 0.448 334 G N -2.021 106.819 108.800 0.067 0.000 3.155 334 G HA2 0.439 4.400 3.960 0.001 0.000 0.193 334 G HA3 0.439 4.400 3.960 0.001 0.000 0.193 334 G C 0.282 175.209 174.900 0.044 0.000 1.215 334 G CA 0.340 45.466 45.100 0.044 0.000 0.917 334 G HN 0.918 nan 8.290 nan 0.000 0.756 335 S N 0.736 116.479 115.700 0.072 0.000 3.536 335 S HA -0.124 4.347 4.470 0.001 0.000 0.281 335 S C -0.800 173.846 174.600 0.076 0.000 1.248 335 S CA 0.434 58.676 58.200 0.071 0.000 0.809 335 S CB -1.807 61.419 63.200 0.044 0.000 0.997 335 S HN 0.807 nan 8.310 nan 0.000 0.641 336 D N 1.625 122.092 120.400 0.113 0.000 2.280 336 D HA 0.565 5.205 4.640 0.001 0.000 0.236 336 D C 0.629 177.010 176.300 0.136 0.000 1.082 336 D CA -0.763 53.294 54.000 0.094 0.000 0.834 336 D CB 0.473 41.317 40.800 0.073 0.000 1.100 336 D HN 0.589 nan 8.370 nan 0.000 0.486 337 M N 0.480 120.123 119.600 0.071 0.000 2.163 337 M HA 0.660 5.141 4.480 0.001 0.000 0.305 337 M C -0.956 175.300 176.300 -0.073 0.000 1.166 337 M CA -0.626 54.722 55.300 0.080 0.000 1.132 337 M CB 1.000 33.629 32.600 0.048 0.000 1.413 337 M HN 0.134 nan 8.290 nan 0.000 0.478 338 V N 0.960 120.846 119.914 -0.047 0.000 2.851 338 V HA 0.366 4.486 4.120 0.001 0.000 0.307 338 V C -1.132 174.946 176.094 -0.027 0.000 1.129 338 V CA -0.679 61.503 62.300 -0.196 0.000 0.932 338 V CB 2.289 33.798 31.823 -0.523 0.000 1.024 338 V HN 0.996 nan 8.190 nan 0.000 0.426 339 E N 4.480 124.652 120.200 -0.045 0.000 2.158 339 E HA 0.842 5.192 4.350 0.001 0.000 0.271 339 E C -0.606 175.995 176.600 0.002 0.000 0.911 339 E CA -0.613 55.785 56.400 -0.002 0.000 0.767 339 E CB 2.394 32.091 29.700 -0.006 0.000 1.120 339 E HN 0.707 nan 8.360 nan 0.000 0.405 340 A N 3.323 126.158 122.820 0.025 0.000 2.309 340 A HA 0.754 5.074 4.320 0.001 0.000 0.317 340 A C -0.577 177.031 177.584 0.040 0.000 1.134 340 A CA -0.452 51.602 52.037 0.029 0.000 0.866 340 A CB 1.222 20.245 19.000 0.039 0.000 1.329 340 A HN 0.906 nan 8.150 nan 0.000 0.477 341 E N -0.366 119.863 120.200 0.048 0.000 2.392 341 E HA 0.570 4.920 4.350 0.001 0.000 0.281 341 E C -1.679 174.970 176.600 0.082 0.000 1.088 341 E CA -0.987 55.459 56.400 0.076 0.000 0.850 341 E CB 1.070 30.814 29.700 0.074 0.000 1.267 341 E HN 0.387 nan 8.360 nan 0.000 0.438 342 R N 0.740 121.312 120.500 0.121 0.000 2.686 342 R HA 0.654 4.994 4.340 0.001 0.000 0.283 342 R C -1.342 175.055 176.300 0.161 0.000 0.978 342 R CA -0.465 55.702 56.100 0.112 0.000 0.897 342 R CB 2.154 32.511 30.300 0.094 0.000 1.192 342 R HN 0.860 nan 8.270 nan 0.000 0.457 343 T N -2.158 112.468 114.554 0.120 0.000 2.952 343 T HA 0.591 4.941 4.350 0.001 0.000 0.305 343 T C 0.653 175.410 174.700 0.094 0.000 1.064 343 T CA -0.050 62.127 62.100 0.128 0.000 1.008 343 T CB 2.132 71.051 68.868 0.085 0.000 1.078 343 T HN 0.670 nan 8.240 nan 0.000 0.459 344 G N 1.868 110.729 108.800 0.101 0.000 2.211 344 G HA2 -0.158 3.802 3.960 0.001 0.000 0.201 344 G HA3 -0.158 3.802 3.960 0.001 0.000 0.201 344 G C 0.062 175.009 174.900 0.078 0.000 0.997 344 G CA -0.495 44.652 45.100 0.078 0.000 0.652 344 G HN 0.896 nan 8.290 nan 0.000 0.500 345 I N 4.057 124.678 120.570 0.084 0.000 2.494 345 I HA 0.214 4.384 4.170 0.001 0.000 0.289 345 I C -1.628 174.542 176.117 0.088 0.000 1.106 345 I CA -1.306 60.036 61.300 0.071 0.000 1.369 345 I CB 0.935 38.966 38.000 0.051 0.000 1.410 345 I HN 0.046 nan 8.210 nan 0.000 0.523 346 P HA 0.318 nan 4.420 nan 0.000 0.287 346 P C -0.348 177.049 177.300 0.161 0.000 1.279 346 P CA -0.555 62.615 63.100 0.116 0.000 0.867 346 P CB 2.072 33.833 31.700 0.102 0.000 1.127 347 I N 1.639 122.286 120.570 0.128 0.000 2.541 347 I HA 0.114 4.284 4.170 0.001 0.000 0.295 347 I C 0.134 176.276 176.117 0.042 0.000 1.137 347 I CA -0.621 60.757 61.300 0.131 0.000 1.256 347 I CB 0.315 38.378 38.000 0.104 0.000 1.648 347 I HN -0.045 nan 8.210 nan 0.000 0.570 348 V N 2.687 122.642 119.914 0.070 0.000 2.508 348 V HA -0.009 4.112 4.120 0.001 0.000 0.281 348 V C 1.579 177.658 176.094 -0.025 0.000 1.041 348 V CA 0.459 62.761 62.300 0.002 0.000 1.016 348 V CB 1.194 33.011 31.823 -0.011 0.000 0.984 348 V HN 0.686 nan 8.190 nan 0.000 0.478 349 T N -0.458 114.089 114.554 -0.013 0.000 3.044 349 T HA 0.012 4.362 4.350 0.001 0.000 0.250 349 T C 0.872 175.579 174.700 0.012 0.000 1.081 349 T CA 0.489 62.656 62.100 0.112 0.000 1.040 349 T CB 0.107 68.996 68.868 0.036 0.000 0.962 349 T HN 0.669 nan 8.240 nan 0.000 0.506 350 S N 2.321 117.972 115.700 -0.082 0.000 2.790 350 S HA 0.385 4.856 4.470 0.001 0.000 0.202 350 S C -1.391 173.037 174.600 -0.286 0.000 1.383 350 S CA -1.327 56.790 58.200 -0.139 0.000 1.026 350 S CB 0.983 64.138 63.200 -0.075 0.000 1.253 350 S HN 0.145 nan 8.310 nan 0.000 0.489 351 P HA -0.158 nan 4.420 nan 0.000 0.217 351 P C -0.533 176.047 177.300 -1.199 0.000 1.148 351 P CA 1.431 63.889 63.100 -1.070 0.000 0.834 351 P CB -0.273 30.504 31.700 -1.539 0.000 0.783 352 Y N -1.054 119.177 120.300 -0.116 0.000 2.373 352 Y HA 0.468 5.018 4.550 0.001 0.000 0.336 352 Y C 0.529 176.387 175.900 -0.071 0.000 0.979 352 Y CA -1.193 56.857 58.100 -0.083 0.000 1.080 352 Y CB 1.253 39.659 38.460 -0.090 0.000 1.190 352 Y HN -0.250 nan 8.280 nan 0.000 0.446 353 Q N 4.239 124.069 119.800 0.049 0.000 2.340 353 Q HA 0.479 4.819 4.340 0.001 0.000 0.259 353 Q C -0.804 175.233 176.000 0.061 0.000 0.964 353 Q CA -0.652 55.160 55.803 0.015 0.000 0.900 353 Q CB 1.977 30.697 28.738 -0.029 0.000 1.228 353 Q HN 0.807 nan 8.270 nan 0.000 0.449 354 I N 0.241 120.845 120.570 0.057 0.000 2.530 354 I HA 0.639 4.810 4.170 0.001 0.000 0.297 354 I C -0.286 175.869 176.117 0.063 0.000 1.011 354 I CA -0.482 60.841 61.300 0.039 0.000 1.107 354 I CB 1.759 39.694 38.000 -0.108 0.000 1.285 354 I HN 0.488 nan 8.210 nan 0.000 0.436 355 H N 2.570 121.439 119.070 -0.335 0.000 2.928 355 H HA 0.638 5.195 4.556 0.001 0.000 0.285 355 H C -1.885 173.136 175.328 -0.513 0.000 1.438 355 H CA -1.462 54.311 56.048 -0.458 0.000 1.176 355 H CB 0.693 30.403 29.762 -0.087 0.000 1.864 355 H HN 0.550 nan 8.280 nan 0.000 0.567 356 F N -1.004 119.016 119.950 0.118 0.000 2.547 356 F HA 0.625 5.152 4.527 0.001 0.000 0.316 356 F C 0.451 176.262 175.800 0.017 0.000 1.121 356 F CA -0.739 57.270 58.000 0.014 0.000 0.911 356 F CB 2.388 41.394 39.000 0.009 0.000 1.179 356 F HN 0.622 nan 8.300 nan 0.000 0.443 357 T N -0.326 114.303 114.554 0.124 0.000 3.254 357 T HA 0.033 4.384 4.350 0.001 0.000 0.267 357 T C 1.439 176.073 174.700 -0.110 0.000 0.946 357 T CA -0.183 61.933 62.100 0.026 0.000 0.991 357 T CB 0.227 69.104 68.868 0.016 0.000 1.205 357 T HN 0.437 nan 8.240 nan 0.000 0.494 358 K N 2.109 122.425 120.400 -0.140 0.000 2.400 358 K HA 0.171 4.491 4.320 0.001 0.000 0.194 358 K C 0.724 177.217 176.600 -0.178 0.000 1.033 358 K CA 0.382 56.491 56.287 -0.297 0.000 1.021 358 K CB -0.360 32.060 32.500 -0.134 0.000 0.808 358 K HN 0.288 nan 8.250 nan 0.000 0.505 359 T N 3.666 118.171 114.554 -0.081 0.000 2.649 359 T HA 0.027 4.378 4.350 0.001 0.000 0.337 359 T C -2.019 172.598 174.700 -0.137 0.000 1.070 359 T CA -0.511 61.534 62.100 -0.091 0.000 1.052 359 T CB 0.145 68.996 68.868 -0.029 0.000 0.994 359 T HN 0.163 nan 8.240 nan 0.000 0.544 360 P HA 0.450 nan 4.420 nan 0.000 0.291 360 P C -0.451 176.821 177.300 -0.046 0.000 1.304 360 P CA -0.892 62.137 63.100 -0.118 0.000 0.929 360 P CB 1.957 33.616 31.700 -0.068 0.000 1.317 361 K N -0.646 119.650 120.400 -0.175 0.000 2.367 361 K HA 0.294 4.615 4.320 0.001 0.000 0.198 361 K C 0.213 176.841 176.600 0.046 0.000 1.132 361 K CA 0.335 56.485 56.287 -0.229 0.000 0.941 361 K CB 0.175 32.279 32.500 -0.660 0.000 1.052 361 K HN 0.277 nan 8.250 nan 0.000 0.507 362 F N 2.643 122.699 119.950 0.176 0.000 2.449 362 F HA 0.426 4.954 4.527 0.001 0.000 0.342 362 F C -0.052 175.819 175.800 0.120 0.000 1.127 362 F CA -1.933 56.128 58.000 0.102 0.000 0.975 362 F CB 1.116 40.154 39.000 0.064 0.000 1.146 362 F HN -0.094 nan 8.300 nan 0.000 0.444 363 F N 0.666 120.621 119.950 0.009 0.000 2.461 363 F HA 0.791 5.319 4.527 0.001 0.000 0.337 363 F C -1.052 174.634 175.800 -0.189 0.000 1.079 363 F CA -1.402 56.487 58.000 -0.184 0.000 1.032 363 F CB 0.961 39.536 39.000 -0.708 0.000 1.327 363 F HN 0.200 nan 8.300 nan 0.000 0.491 364 K N 2.180 122.462 120.400 -0.197 0.000 2.621 364 K HA 0.348 4.669 4.320 0.001 0.000 0.233 364 K C -2.719 173.750 176.600 -0.219 0.000 0.972 364 K CA -2.071 53.943 56.287 -0.455 0.000 0.988 364 K CB 1.132 33.373 32.500 -0.432 0.000 1.187 364 K HN 0.328 nan 8.250 nan 0.000 0.471 365 P HA -0.267 nan 4.420 nan 0.000 0.268 365 P C 0.119 177.451 177.300 0.054 0.000 1.171 365 P CA 0.950 64.112 63.100 0.103 0.000 0.761 365 P CB 0.509 32.230 31.700 0.035 0.000 0.786 366 A N 0.508 123.375 122.820 0.077 0.000 2.847 366 A HA -0.196 4.124 4.320 0.001 0.000 0.263 366 A C 0.307 177.910 177.584 0.032 0.000 1.391 366 A CA 1.527 53.601 52.037 0.061 0.000 0.866 366 A CB -2.201 16.855 19.000 0.092 0.000 1.057 366 A HN 0.501 nan 8.150 nan 0.000 0.673 367 M N -1.302 118.288 119.600 -0.017 0.000 2.575 367 M HA 0.498 4.978 4.480 0.001 0.000 0.284 367 M C -2.630 173.626 176.300 -0.074 0.000 1.253 367 M CA -1.877 53.365 55.300 -0.097 0.000 0.861 367 M CB 2.025 34.425 32.600 -0.334 0.000 1.733 367 M HN 0.113 nan 8.290 nan 0.000 0.462 368 P HA 0.523 nan 4.420 nan 0.000 0.323 368 P C -1.317 176.068 177.300 0.141 0.000 1.309 368 P CA -0.117 63.009 63.100 0.043 0.000 0.739 368 P CB 1.123 32.858 31.700 0.060 0.000 1.454 369 F N -0.723 119.203 119.950 -0.040 0.000 2.622 369 F HA 0.286 4.813 4.527 0.001 0.000 0.318 369 F C -1.711 174.088 175.800 -0.001 0.000 1.135 369 F CA -0.922 57.065 58.000 -0.021 0.000 1.015 369 F CB 1.337 40.287 39.000 -0.084 0.000 1.275 369 F HN 0.050 nan 8.300 nan 0.000 0.457 370 D N 7.396 127.646 120.400 -0.250 0.000 2.274 370 D HA 0.503 5.143 4.640 0.001 0.000 0.239 370 D C -0.429 175.565 176.300 -0.510 0.000 1.104 370 D CA 0.029 53.863 54.000 -0.277 0.000 0.840 370 D CB 1.841 42.554 40.800 -0.145 0.000 1.100 370 D HN 0.645 nan 8.370 nan 0.000 0.477 371 L N -1.796 119.210 121.223 -0.361 0.000 2.301 371 L HA 0.716 5.057 4.340 0.001 0.000 0.264 371 L C -0.619 176.200 176.870 -0.084 0.000 1.016 371 L CA -1.063 53.609 54.840 -0.281 0.000 0.821 371 L CB 2.172 44.106 42.059 -0.208 0.000 1.346 371 L HN 0.039 nan 8.230 nan 0.000 0.429 372 M N 2.286 121.887 119.600 0.002 0.000 2.067 372 M HA 0.371 4.851 4.480 0.001 0.000 0.286 372 M C -1.345 174.986 176.300 0.052 0.000 0.922 372 M CA -0.478 54.836 55.300 0.024 0.000 0.937 372 M CB 2.203 34.816 32.600 0.023 0.000 1.550 372 M HN 0.393 nan 8.290 nan 0.000 0.433 373 V N 3.911 123.829 119.914 0.008 0.000 2.353 373 V HA 0.091 4.211 4.120 0.001 0.000 0.264 373 V C -0.671 175.369 176.094 -0.091 0.000 1.049 373 V CA -0.402 61.837 62.300 -0.102 0.000 0.896 373 V CB 0.210 31.967 31.823 -0.109 0.000 1.025 373 V HN 0.600 nan 8.190 nan 0.000 0.475 374 Y N 6.354 126.443 120.300 -0.351 0.000 2.636 374 Y HA 0.435 4.986 4.550 0.001 0.000 0.341 374 Y C 0.191 175.911 175.900 -0.300 0.000 1.169 374 Y CA -0.634 57.251 58.100 -0.359 0.000 1.498 374 Y CB 0.355 38.507 38.460 -0.515 0.000 1.362 374 Y HN 0.430 nan 8.280 nan 0.000 0.494 375 V N 5.524 125.212 119.914 -0.376 0.000 2.811 375 V HA 0.379 4.500 4.120 0.001 0.000 0.302 375 V C 0.468 176.279 176.094 -0.471 0.000 1.063 375 V CA 0.458 62.570 62.300 -0.313 0.000 1.088 375 V CB 1.028 32.749 31.823 -0.171 0.000 0.982 375 V HN 0.844 nan 8.190 nan 0.000 0.485 376 T N 0.917 115.322 114.554 -0.248 0.000 2.754 376 T HA 0.484 4.835 4.350 0.001 0.000 0.296 376 T C -0.752 173.962 174.700 0.024 0.000 1.205 376 T CA -1.054 60.937 62.100 -0.181 0.000 1.009 376 T CB 1.762 70.518 68.868 -0.186 0.000 1.368 376 T HN 0.474 nan 8.240 nan 0.000 0.509 377 N N 1.334 120.067 118.700 0.055 0.000 2.483 377 N HA 0.415 5.156 4.740 0.001 0.000 0.285 377 N C -1.940 173.606 175.510 0.059 0.000 1.210 377 N CA -2.078 51.039 53.050 0.112 0.000 0.931 377 N CB 1.319 39.895 38.487 0.148 0.000 1.220 377 N HN 0.453 nan 8.380 nan 0.000 0.542 378 P HA -0.147 nan 4.420 nan 0.000 0.229 378 P C -0.050 177.282 177.300 0.053 0.000 1.147 378 P CA 1.338 64.466 63.100 0.047 0.000 0.766 378 P CB 0.167 31.919 31.700 0.086 0.000 0.775 379 D N -2.665 117.771 120.400 0.059 0.000 2.469 379 D HA 0.154 4.795 4.640 0.001 0.000 0.213 379 D C 1.181 177.516 176.300 0.059 0.000 1.135 379 D CA 0.251 54.285 54.000 0.056 0.000 0.834 379 D CB -0.314 40.520 40.800 0.057 0.000 1.009 379 D HN 0.179 nan 8.370 nan 0.000 0.507 380 G N 1.122 109.956 108.800 0.056 0.000 2.270 380 G HA2 -0.149 3.812 3.960 0.001 0.000 0.224 380 G HA3 -0.149 3.812 3.960 0.001 0.000 0.224 380 G C -0.107 174.849 174.900 0.094 0.000 1.079 380 G CA 0.048 45.195 45.100 0.078 0.000 0.807 380 G HN 0.654 nan 8.290 nan 0.000 0.492 381 S N -0.783 114.949 115.700 0.052 0.000 2.519 381 S HA 0.712 5.183 4.470 0.001 0.000 0.309 381 S C -2.479 172.125 174.600 0.006 0.000 1.100 381 S CA -1.941 56.294 58.200 0.059 0.000 1.059 381 S CB 2.876 66.114 63.200 0.062 0.000 1.008 381 S HN 0.007 nan 8.310 nan 0.000 0.478 382 P HA 0.074 nan 4.420 nan 0.000 0.225 382 P C 0.118 177.417 177.300 -0.002 0.000 1.054 382 P CA 0.539 63.632 63.100 -0.012 0.000 1.244 382 P CB -0.676 31.091 31.700 0.113 0.000 1.310 383 A N 4.365 127.171 122.820 -0.023 0.000 2.547 383 A HA 0.044 4.365 4.320 0.001 0.000 0.233 383 A C 1.176 178.754 177.584 -0.008 0.000 1.067 383 A CA 0.026 52.070 52.037 0.012 0.000 0.763 383 A CB 0.289 19.303 19.000 0.023 0.000 1.007 383 A HN 0.313 nan 8.150 nan 0.000 0.506 384 R N 0.237 120.733 120.500 -0.006 0.000 3.255 384 R HA -0.014 4.326 4.340 0.001 0.000 0.268 384 R C 0.152 176.476 176.300 0.039 0.000 1.121 384 R CA 0.166 56.259 56.100 -0.012 0.000 1.133 384 R CB -0.465 29.810 30.300 -0.042 0.000 1.038 384 R HN 0.851 nan 8.270 nan 0.000 0.523 385 H N 0.365 119.400 119.070 -0.058 0.000 3.342 385 H HA 0.025 4.581 4.556 0.001 0.000 0.237 385 H C -0.026 175.239 175.328 -0.104 0.000 1.044 385 H CA -0.145 55.863 56.048 -0.067 0.000 1.436 385 H CB -0.346 29.388 29.762 -0.048 0.000 1.569 385 H HN 0.118 nan 8.280 nan 0.000 0.507 386 I N 6.503 127.053 120.570 -0.033 0.000 2.441 386 I HA 0.190 4.360 4.170 0.001 0.000 0.295 386 I C -1.973 174.077 176.117 -0.111 0.000 0.994 386 I CA -2.405 58.818 61.300 -0.129 0.000 1.144 386 I CB 2.221 40.087 38.000 -0.225 0.000 1.314 386 I HN 0.399 nan 8.210 nan 0.000 0.445 387 P HA 0.110 nan 4.420 nan 0.000 0.244 387 P C -0.249 177.003 177.300 -0.080 0.000 1.769 387 P CA -0.089 62.960 63.100 -0.086 0.000 1.102 387 P CB 0.025 31.681 31.700 -0.073 0.000 1.937 388 V N 3.661 123.529 119.914 -0.077 0.000 2.763 388 V HA 0.086 4.206 4.120 0.001 0.000 0.306 388 V C 0.985 177.054 176.094 -0.041 0.000 1.059 388 V CA 0.353 62.616 62.300 -0.062 0.000 1.138 388 V CB 0.871 32.660 31.823 -0.057 0.000 0.940 388 V HN 0.242 nan 8.190 nan 0.000 0.489 389 V N 3.005 122.902 119.914 -0.028 0.000 3.114 389 V HA 0.776 4.896 4.120 0.001 0.000 0.308 389 V C 0.047 176.144 176.094 0.004 0.000 1.168 389 V CA -0.226 62.066 62.300 -0.014 0.000 1.015 389 V CB 2.532 34.345 31.823 -0.017 0.000 1.050 389 V HN 1.085 nan 8.190 nan 0.000 0.433 390 T N -0.842 113.718 114.554 0.011 0.000 2.645 390 T HA 0.366 4.717 4.350 0.001 0.000 0.273 390 T C 0.563 175.273 174.700 0.017 0.000 0.960 390 T CA -0.519 61.597 62.100 0.025 0.000 1.051 390 T CB 1.527 70.415 68.868 0.034 0.000 1.366 390 T HN 0.397 nan 8.240 nan 0.000 0.536 391 Q N -0.074 119.737 119.800 0.018 0.000 2.368 391 Q HA 0.079 4.419 4.340 0.001 0.000 0.210 391 Q C 1.919 177.920 176.000 0.002 0.000 0.982 391 Q CA 1.457 57.265 55.803 0.009 0.000 0.884 391 Q CB -0.458 28.283 28.738 0.005 0.000 0.933 391 Q HN 0.880 nan 8.270 nan 0.000 0.460 392 G N -0.345 108.456 108.800 0.001 0.000 3.141 392 G HA2 0.034 3.995 3.960 0.001 0.000 0.218 392 G HA3 0.034 3.995 3.960 0.001 0.000 0.218 392 G C 0.302 175.201 174.900 -0.002 0.000 1.170 392 G CA 0.305 45.404 45.100 -0.002 0.000 0.769 392 G HN 0.329 nan 8.290 nan 0.000 0.546 393 S N -0.212 115.487 115.700 -0.002 0.000 3.521 393 S HA -0.226 4.245 4.470 0.001 0.000 0.328 393 S C 0.130 174.725 174.600 -0.008 0.000 1.165 393 S CA 0.657 58.854 58.200 -0.005 0.000 0.941 393 S CB -2.681 60.515 63.200 -0.005 0.000 0.951 393 S HN 0.448 nan 8.310 nan 0.000 0.539 394 N N 0.613 119.309 118.700 -0.007 0.000 2.503 394 N HA 0.426 5.167 4.740 0.001 0.000 0.267 394 N C 0.012 175.512 175.510 -0.016 0.000 1.214 394 N CA 0.007 53.051 53.050 -0.010 0.000 0.959 394 N CB 1.300 39.783 38.487 -0.007 0.000 1.142 394 N HN 0.309 nan 8.380 nan 0.000 0.455 395 V N 1.295 121.197 119.914 -0.021 0.000 2.233 395 V HA 0.116 4.236 4.120 0.001 0.000 0.261 395 V C 0.508 176.578 176.094 -0.039 0.000 1.076 395 V CA -0.499 61.782 62.300 -0.030 0.000 1.001 395 V CB 0.172 31.977 31.823 -0.030 0.000 1.206 395 V HN 0.559 nan 8.190 nan 0.000 0.468 396 Q N 1.519 121.295 119.800 -0.040 0.000 2.370 396 Q HA 0.582 4.923 4.340 0.001 0.000 0.186 396 Q C 0.294 176.253 176.000 -0.069 0.000 1.093 396 Q CA 0.318 56.091 55.803 -0.050 0.000 1.142 396 Q CB 1.290 30.003 28.738 -0.041 0.000 1.175 396 Q HN 0.659 nan 8.270 nan 0.000 0.625 397 S N -0.616 115.033 115.700 -0.085 0.000 2.632 397 S HA 0.676 5.146 4.470 0.001 0.000 0.289 397 S C -1.912 172.626 174.600 -0.103 0.000 1.115 397 S CA -0.818 57.313 58.200 -0.115 0.000 0.889 397 S CB 0.822 63.914 63.200 -0.179 0.000 1.116 397 S HN 0.517 nan 8.310 nan 0.000 0.486 398 L N 3.512 124.675 121.223 -0.100 0.000 2.296 398 L HA 0.612 4.952 4.340 0.001 0.000 0.286 398 L C 0.276 177.141 176.870 -0.008 0.000 1.023 398 L CA 0.029 54.834 54.840 -0.058 0.000 0.812 398 L CB 1.433 43.453 42.059 -0.064 0.000 1.223 398 L HN 0.862 nan 8.230 nan 0.000 0.421 399 T N 1.586 116.152 114.554 0.019 0.000 2.856 399 T HA 0.118 4.468 4.350 0.001 0.000 0.306 399 T C 0.672 175.453 174.700 0.135 0.000 1.062 399 T CA 0.076 62.231 62.100 0.092 0.000 1.083 399 T CB 0.857 69.762 68.868 0.062 0.000 0.984 399 T HN 0.794 nan 8.240 nan 0.000 0.542 400 Q N 0.643 120.547 119.800 0.173 0.000 2.387 400 Q HA -0.056 4.285 4.340 0.001 0.000 0.212 400 Q C 0.798 176.831 176.000 0.054 0.000 0.925 400 Q CA 0.566 56.414 55.803 0.075 0.000 0.901 400 Q CB 0.047 28.767 28.738 -0.031 0.000 1.020 400 Q HN 0.704 nan 8.270 nan 0.000 0.545 401 D N 1.204 121.640 120.400 0.060 0.000 2.269 401 D HA -0.080 4.561 4.640 0.001 0.000 0.208 401 D C 0.750 177.090 176.300 0.068 0.000 0.963 401 D CA 0.964 54.994 54.000 0.050 0.000 0.864 401 D CB 0.326 41.152 40.800 0.043 0.000 0.936 401 D HN 0.383 nan 8.370 nan 0.000 0.505 402 D N -0.790 119.660 120.400 0.083 0.000 2.597 402 D HA 0.072 4.712 4.640 0.001 0.000 0.261 402 D C 1.596 177.999 176.300 0.172 0.000 1.023 402 D CA 0.848 54.913 54.000 0.108 0.000 0.927 402 D CB 0.740 41.586 40.800 0.078 0.000 1.168 402 D HN 0.174 nan 8.370 nan 0.000 0.491 403 G N 1.311 110.180 108.800 0.114 0.000 2.168 403 G HA2 -0.246 3.714 3.960 0.001 0.000 0.257 403 G HA3 -0.246 3.714 3.960 0.001 0.000 0.257 403 G C 0.159 175.110 174.900 0.086 0.000 0.997 403 G CA 0.651 45.788 45.100 0.061 0.000 0.708 403 G HN 0.300 nan 8.290 nan 0.000 0.520 404 V N -0.691 119.313 119.914 0.150 0.000 2.409 404 V HA 0.822 4.942 4.120 0.001 0.000 0.290 404 V C 0.623 176.748 176.094 0.052 0.000 1.017 404 V CA -0.873 61.528 62.300 0.167 0.000 0.841 404 V CB 0.993 32.937 31.823 0.203 0.000 1.003 404 V HN 1.186 nan 8.190 nan 0.000 0.426 405 A N 4.473 127.297 122.820 0.008 0.000 2.366 405 A HA 0.647 4.968 4.320 0.001 0.000 0.249 405 A C 0.609 178.184 177.584 -0.015 0.000 1.084 405 A CA -0.245 51.781 52.037 -0.019 0.000 0.794 405 A CB 0.368 19.345 19.000 -0.039 0.000 1.034 405 A HN 0.709 nan 8.150 nan 0.000 0.491 406 K N 1.859 122.242 120.400 -0.028 0.000 3.237 406 K HA 0.273 4.594 4.320 0.001 0.000 0.197 406 K C -0.406 176.172 176.600 -0.037 0.000 1.133 406 K CA -0.117 56.150 56.287 -0.033 0.000 0.944 406 K CB 0.189 32.665 32.500 -0.040 0.000 0.952 406 K HN 0.679 nan 8.250 nan 0.000 0.515 407 L N 0.636 121.841 121.223 -0.031 0.000 2.473 407 L HA 0.101 4.442 4.340 0.001 0.000 0.265 407 L C 0.158 177.009 176.870 -0.032 0.000 1.243 407 L CA 0.409 55.234 54.840 -0.025 0.000 0.822 407 L CB 0.696 42.750 42.059 -0.009 0.000 1.101 407 L HN 0.236 nan 8.230 nan 0.000 0.507 408 S N 1.892 117.582 115.700 -0.017 0.000 2.599 408 S HA 0.472 4.943 4.470 0.001 0.000 0.269 408 S C -1.034 173.577 174.600 0.018 0.000 1.135 408 S CA -0.727 57.468 58.200 -0.008 0.000 1.027 408 S CB 0.680 63.873 63.200 -0.010 0.000 1.129 408 S HN 0.445 nan 8.310 nan 0.000 0.458 409 I N 2.887 123.484 120.570 0.045 0.000 2.603 409 I HA 0.679 4.849 4.170 0.001 0.000 0.300 409 I C -0.335 175.812 176.117 0.050 0.000 1.017 409 I CA -0.766 60.557 61.300 0.040 0.000 1.098 409 I CB 1.808 39.828 38.000 0.034 0.000 1.279 409 I HN 0.590 nan 8.210 nan 0.000 0.437 410 N N 2.985 121.696 118.700 0.017 0.000 2.498 410 N HA 0.358 5.098 4.740 0.001 0.000 0.287 410 N C -0.602 174.882 175.510 -0.043 0.000 1.097 410 N CA -0.400 52.651 53.050 0.002 0.000 0.973 410 N CB 1.583 40.076 38.487 0.010 0.000 1.153 410 N HN 0.874 nan 8.380 nan 0.000 0.472 411 T N -1.509 113.002 114.554 -0.072 0.000 2.823 411 T HA 0.211 4.562 4.350 0.001 0.000 0.279 411 T C 0.310 174.992 174.700 -0.029 0.000 0.998 411 T CA -0.886 61.142 62.100 -0.120 0.000 0.994 411 T CB 1.737 70.422 68.868 -0.306 0.000 0.960 411 T HN 0.582 nan 8.240 nan 0.000 0.448 412 Q N 3.016 122.807 119.800 -0.015 0.000 2.397 412 Q HA 0.246 4.586 4.340 0.001 0.000 0.193 412 Q C -0.421 175.615 176.000 0.061 0.000 1.083 412 Q CA -0.845 54.972 55.803 0.024 0.000 1.108 412 Q CB 0.290 29.038 28.738 0.017 0.000 1.172 412 Q HN 0.600 nan 8.270 nan 0.000 0.617 413 N N 1.355 120.094 118.700 0.066 0.000 2.399 413 N HA 0.171 4.911 4.740 0.001 0.000 0.259 413 N C -0.909 174.650 175.510 0.082 0.000 1.160 413 N CA 0.297 53.399 53.050 0.086 0.000 0.946 413 N CB 0.410 38.946 38.487 0.082 0.000 1.156 413 N HN 0.373 nan 8.380 nan 0.000 0.489 414 K N 1.486 121.948 120.400 0.104 0.000 2.617 414 K HA 0.369 4.690 4.320 0.001 0.000 0.293 414 K C 0.084 176.743 176.600 0.098 0.000 1.034 414 K CA -0.641 55.702 56.287 0.093 0.000 0.884 414 K CB 1.703 34.255 32.500 0.087 0.000 1.541 414 K HN 0.226 nan 8.250 nan 0.000 0.409 415 R N 0.159 120.700 120.500 0.069 0.000 2.541 415 R HA 0.146 4.487 4.340 0.001 0.000 0.332 415 R C -0.551 175.776 176.300 0.044 0.000 0.951 415 R CA -0.237 55.873 56.100 0.016 0.000 1.136 415 R CB 0.578 30.874 30.300 -0.007 0.000 1.449 415 R HN 0.532 nan 8.270 nan 0.000 0.531 416 D N 3.351 123.797 120.400 0.076 0.000 2.363 416 D HA 0.058 4.699 4.640 0.001 0.000 0.240 416 D C -2.085 174.281 176.300 0.110 0.000 1.236 416 D CA -1.022 53.017 54.000 0.065 0.000 0.927 416 D CB 0.288 41.115 40.800 0.045 0.000 1.150 416 D HN -0.037 nan 8.370 nan 0.000 0.458 417 P HA 0.109 nan 4.420 nan 0.000 0.276 417 P C -0.473 176.842 177.300 0.025 0.000 1.243 417 P CA -0.529 62.620 63.100 0.082 0.000 0.768 417 P CB 0.668 32.396 31.700 0.047 0.000 0.856 418 L N 4.535 125.748 121.223 -0.018 0.000 2.312 418 L HA 0.305 4.645 4.340 0.001 0.000 0.287 418 L C -0.361 176.420 176.870 -0.149 0.000 1.091 418 L CA 0.567 55.275 54.840 -0.221 0.000 0.846 418 L CB -0.182 41.450 42.059 -0.712 0.000 1.219 418 L HN 0.247 nan 8.230 nan 0.000 0.439 419 T N 6.899 121.398 114.554 -0.091 0.000 2.788 419 T HA 0.575 4.926 4.350 0.001 0.000 0.296 419 T C -0.357 174.316 174.700 -0.044 0.000 1.009 419 T CA -0.148 61.920 62.100 -0.052 0.000 0.949 419 T CB 0.248 69.105 68.868 -0.019 0.000 0.946 419 T HN 0.458 nan 8.240 nan 0.000 0.453 420 I N 1.333 121.881 120.570 -0.037 0.000 2.378 420 I HA 0.656 4.827 4.170 0.001 0.000 0.291 420 I C 0.393 176.550 176.117 0.066 0.000 0.992 420 I CA -1.006 60.297 61.300 0.005 0.000 1.154 420 I CB 1.289 39.299 38.000 0.017 0.000 1.315 420 I HN 0.476 nan 8.210 nan 0.000 0.448 421 T N 3.202 117.806 114.554 0.083 0.000 2.859 421 T HA 0.870 5.220 4.350 0.001 0.000 0.281 421 T C -0.217 174.562 174.700 0.131 0.000 1.005 421 T CA -0.723 61.452 62.100 0.126 0.000 1.025 421 T CB 1.572 70.489 68.868 0.080 0.000 0.977 421 T HN 0.533 nan 8.240 nan 0.000 0.458 422 V N 2.347 122.355 119.914 0.156 0.000 2.628 422 V HA 0.728 4.849 4.120 0.001 0.000 0.306 422 V C 0.071 176.188 176.094 0.038 0.000 1.045 422 V CA -1.155 61.201 62.300 0.094 0.000 0.905 422 V CB 1.510 33.392 31.823 0.098 0.000 0.997 422 V HN 0.929 nan 8.190 nan 0.000 0.436 423 R N 1.435 121.944 120.500 0.015 0.000 2.888 423 R HA 0.844 5.184 4.340 0.001 0.000 0.264 423 R C -1.033 175.255 176.300 -0.019 0.000 1.045 423 R CA -0.681 55.419 56.100 0.000 0.000 0.962 423 R CB 2.568 32.871 30.300 0.004 0.000 1.210 423 R HN 0.891 nan 8.270 nan 0.000 0.479 424 T N -0.361 114.179 114.554 -0.022 0.000 2.937 424 T HA 0.402 4.752 4.350 0.001 0.000 0.297 424 T C -0.596 174.079 174.700 -0.042 0.000 0.991 424 T CA -1.128 60.944 62.100 -0.047 0.000 0.990 424 T CB 1.499 70.325 68.868 -0.070 0.000 0.991 424 T HN 0.245 nan 8.240 nan 0.000 0.440 425 K N 2.030 122.398 120.400 -0.053 0.000 2.724 425 K HA 0.325 4.646 4.320 0.001 0.000 0.198 425 K C -0.162 176.401 176.600 -0.063 0.000 1.099 425 K CA -0.836 55.423 56.287 -0.046 0.000 1.025 425 K CB 1.059 33.538 32.500 -0.035 0.000 1.509 425 K HN 0.517 nan 8.250 nan 0.000 0.564 426 K N 3.006 123.355 120.400 -0.086 0.000 2.451 426 K HA -0.038 4.283 4.320 0.001 0.000 0.280 426 K C 0.900 177.465 176.600 -0.058 0.000 1.020 426 K CA 0.290 56.515 56.287 -0.103 0.000 1.008 426 K CB 0.469 32.864 32.500 -0.174 0.000 0.917 426 K HN 0.375 nan 8.250 nan 0.000 0.478 427 D N 3.082 123.454 120.400 -0.047 0.000 2.200 427 D HA -0.321 4.319 4.640 0.001 0.000 0.192 427 D C 0.427 176.713 176.300 -0.024 0.000 1.008 427 D CA 2.018 56.000 54.000 -0.030 0.000 0.872 427 D CB -0.199 40.587 40.800 -0.023 0.000 0.923 427 D HN 0.570 nan 8.370 nan 0.000 0.447 428 N N 1.763 120.451 118.700 -0.020 0.000 2.048 428 N HA -0.013 4.727 4.740 0.001 0.000 0.193 428 N C 1.056 176.549 175.510 -0.028 0.000 1.061 428 N CA 0.770 53.813 53.050 -0.012 0.000 0.849 428 N CB -0.754 37.738 38.487 0.008 0.000 1.044 428 N HN 0.469 nan 8.380 nan 0.000 0.429 429 I N 0.587 121.136 120.570 -0.034 0.000 2.880 429 I HA 0.067 4.237 4.170 0.001 0.000 0.296 429 I C -1.957 174.116 176.117 -0.073 0.000 1.220 429 I CA -1.479 59.776 61.300 -0.074 0.000 1.435 429 I CB -0.222 37.744 38.000 -0.057 0.000 1.339 429 I HN 0.096 nan 8.210 nan 0.000 0.583 430 P HA 0.053 nan 4.420 nan 0.000 0.275 430 P C 0.210 177.474 177.300 -0.060 0.000 1.266 430 P CA -0.166 62.893 63.100 -0.069 0.000 0.793 430 P CB 0.667 32.322 31.700 -0.074 0.000 1.074 431 E N 0.109 120.286 120.200 -0.039 0.000 2.401 431 E HA -0.069 4.281 4.350 0.001 0.000 0.199 431 E C 1.873 178.456 176.600 -0.029 0.000 1.023 431 E CA 1.049 57.432 56.400 -0.029 0.000 0.859 431 E CB -0.779 28.909 29.700 -0.019 0.000 0.780 431 E HN 0.690 nan 8.360 nan 0.000 0.523 432 G N 0.035 108.813 108.800 -0.037 0.000 2.603 432 G HA2 -0.105 3.856 3.960 0.001 0.000 0.214 432 G HA3 -0.105 3.856 3.960 0.001 0.000 0.214 432 G C 1.067 175.939 174.900 -0.046 0.000 1.140 432 G CA -0.327 44.757 45.100 -0.026 0.000 0.800 432 G HN 0.010 nan 8.290 nan 0.000 0.533 433 R N 1.330 121.770 120.500 -0.099 0.000 2.287 433 R HA 0.306 4.647 4.340 0.001 0.000 0.327 433 R C -0.519 175.747 176.300 -0.057 0.000 1.109 433 R CA -0.226 55.790 56.100 -0.140 0.000 1.013 433 R CB 0.350 30.478 30.300 -0.286 0.000 1.126 433 R HN 0.331 nan 8.270 nan 0.000 0.503 434 Q N 2.151 121.936 119.800 -0.025 0.000 2.482 434 Q HA 0.482 4.822 4.340 0.001 0.000 0.286 434 Q C -1.889 174.123 176.000 0.020 0.000 1.007 434 Q CA -0.904 54.906 55.803 0.012 0.000 0.801 434 Q CB 1.502 30.239 28.738 -0.002 0.000 1.455 434 Q HN 0.391 nan 8.270 nan 0.000 0.398 435 A N 0.768 123.608 122.820 0.035 0.000 2.306 435 A HA 0.797 5.117 4.320 0.001 0.000 0.314 435 A C -0.637 176.952 177.584 0.007 0.000 1.164 435 A CA -0.307 51.744 52.037 0.023 0.000 0.822 435 A CB 1.063 20.084 19.000 0.035 0.000 1.130 435 A HN 0.655 nan 8.150 nan 0.000 0.496 436 T N 2.684 117.243 114.554 0.008 0.000 3.071 436 T HA 0.579 4.929 4.350 0.001 0.000 0.311 436 T C -0.969 173.757 174.700 0.043 0.000 1.042 436 T CA -0.562 61.553 62.100 0.025 0.000 1.028 436 T CB 0.830 69.718 68.868 0.033 0.000 1.068 436 T HN 0.656 nan 8.240 nan 0.000 0.451 437 R N 1.919 122.468 120.500 0.081 0.000 2.584 437 R HA 0.632 4.973 4.340 0.001 0.000 0.276 437 R C -0.809 175.720 176.300 0.380 0.000 1.046 437 R CA -0.638 55.571 56.100 0.182 0.000 0.906 437 R CB 2.260 32.586 30.300 0.044 0.000 1.215 437 R HN 0.648 nan 8.270 nan 0.000 0.449 438 T N 1.579 116.334 114.554 0.335 0.000 2.937 438 T HA 0.732 5.082 4.350 0.001 0.000 0.283 438 T C -0.057 174.686 174.700 0.072 0.000 1.012 438 T CA -0.674 61.560 62.100 0.222 0.000 0.997 438 T CB 1.589 70.522 68.868 0.108 0.000 1.136 438 T HN 0.516 nan 8.240 nan 0.000 0.551 439 M N 1.243 120.787 119.600 -0.093 0.000 2.471 439 M HA 0.419 4.899 4.480 0.001 0.000 0.284 439 M C -2.216 174.018 176.300 -0.110 0.000 1.203 439 M CA -0.738 54.414 55.300 -0.246 0.000 0.915 439 M CB 2.407 34.607 32.600 -0.667 0.000 1.734 439 M HN 0.490 nan 8.290 nan 0.000 0.485 440 Q N 2.542 122.303 119.800 -0.065 0.000 2.398 440 Q HA 0.723 5.064 4.340 0.001 0.000 0.251 440 Q C -1.476 174.551 176.000 0.046 0.000 0.999 440 Q CA -0.057 55.745 55.803 -0.002 0.000 0.874 440 Q CB 1.564 30.320 28.738 0.029 0.000 1.215 440 Q HN 0.613 nan 8.270 nan 0.000 0.470 441 A N 4.994 127.829 122.820 0.024 0.000 2.253 441 A HA 0.644 4.965 4.320 0.001 0.000 0.316 441 A C -1.325 176.425 177.584 0.277 0.000 1.327 441 A CA -0.556 51.529 52.037 0.080 0.000 0.917 441 A CB 0.036 18.856 19.000 -0.302 0.000 1.162 441 A HN 0.641 nan 8.150 nan 0.000 0.535 442 L N 3.556 124.974 121.223 0.325 0.000 2.341 442 L HA 0.553 4.894 4.340 0.001 0.000 0.278 442 L C -2.523 174.340 176.870 -0.011 0.000 1.005 442 L CA -1.988 52.958 54.840 0.177 0.000 0.818 442 L CB 1.244 43.359 42.059 0.095 0.000 1.259 442 L HN 0.320 nan 8.230 nan 0.000 0.418 443 P HA -0.037 nan 4.420 nan 0.000 0.270 443 P C -1.071 176.031 177.300 -0.331 0.000 1.227 443 P CA -0.140 62.518 63.100 -0.736 0.000 0.788 443 P CB 0.237 31.526 31.700 -0.686 0.000 0.926 444 Y N 1.556 121.607 120.300 -0.416 0.000 2.397 444 Y HA 0.161 4.712 4.550 0.001 0.000 0.335 444 Y C 0.168 175.985 175.900 -0.138 0.000 1.213 444 Y CA -0.138 57.845 58.100 -0.196 0.000 1.391 444 Y CB 0.051 38.425 38.460 -0.142 0.000 1.293 444 Y HN 0.306 nan 8.280 nan 0.000 0.557 445 N N 3.030 121.454 118.700 -0.461 0.000 3.114 445 N HA 0.099 4.839 4.740 0.001 0.000 0.289 445 N C -0.902 174.327 175.510 -0.469 0.000 1.519 445 N CA -0.336 52.490 53.050 -0.373 0.000 1.026 445 N CB 0.647 38.973 38.487 -0.268 0.000 1.306 445 N HN 0.622 nan 8.380 nan 0.000 0.495 446 T N 0.969 115.276 114.554 -0.412 0.000 2.903 446 T HA -0.164 4.186 4.350 0.001 0.000 0.299 446 T C 0.486 175.056 174.700 -0.217 0.000 1.041 446 T CA 0.072 61.999 62.100 -0.288 0.000 1.138 446 T CB 0.235 69.065 68.868 -0.064 0.000 1.040 446 T HN 0.492 nan 8.240 nan 0.000 0.524 447 Q N 3.719 123.389 119.800 -0.216 0.000 2.242 447 Q HA 0.293 4.634 4.340 0.001 0.000 0.284 447 Q C 0.869 176.797 176.000 -0.121 0.000 1.130 447 Q CA 0.059 55.759 55.803 -0.173 0.000 0.940 447 Q CB -0.418 28.204 28.738 -0.194 0.000 1.146 447 Q HN 1.038 nan 8.270 nan 0.000 0.388 448 G N 4.053 112.793 108.800 -0.100 0.000 2.351 448 G HA2 -0.341 3.619 3.960 0.001 0.000 0.297 448 G HA3 -0.341 3.619 3.960 0.001 0.000 0.297 448 G C 0.084 174.942 174.900 -0.070 0.000 1.054 448 G CA -0.012 45.043 45.100 -0.074 0.000 1.123 448 G HN 0.989 nan 8.290 nan 0.000 0.512 449 N N -1.456 117.203 118.700 -0.069 0.000 2.677 449 N HA -0.312 4.428 4.740 0.001 0.000 0.249 449 N C 1.592 177.053 175.510 -0.081 0.000 1.073 449 N CA 1.357 54.373 53.050 -0.057 0.000 0.737 449 N CB -1.236 37.230 38.487 -0.035 0.000 0.999 449 N HN 1.453 nan 8.380 nan 0.000 0.543 450 S N -0.100 115.535 115.700 -0.109 0.000 2.660 450 S HA -0.061 4.410 4.470 0.001 0.000 0.228 450 S C 0.866 175.351 174.600 -0.191 0.000 0.966 450 S CA 0.009 58.138 58.200 -0.118 0.000 0.940 450 S CB -0.058 63.084 63.200 -0.097 0.000 0.773 450 S HN 0.366 nan 8.310 nan 0.000 0.535 451 N N 1.662 120.181 118.700 -0.302 0.000 2.677 451 N HA -0.188 4.552 4.740 0.001 0.000 0.249 451 N C -1.251 173.883 175.510 -0.627 0.000 1.073 451 N CA 1.043 53.767 53.050 -0.544 0.000 0.737 451 N CB -1.892 36.468 38.487 -0.212 0.000 0.999 451 N HN 0.753 nan 8.380 nan 0.000 0.543 452 N N 0.528 118.929 118.700 -0.499 0.000 2.767 452 N HA 0.200 4.941 4.740 0.001 0.000 0.238 452 N C -0.571 174.923 175.510 -0.027 0.000 1.083 452 N CA -0.289 52.667 53.050 -0.157 0.000 0.964 452 N CB 0.339 38.837 38.487 0.018 0.000 1.252 452 N HN 0.138 nan 8.380 nan 0.000 0.512 453 Y N 0.685 121.153 120.300 0.280 0.000 2.654 453 Y HA 0.668 5.219 4.550 0.001 0.000 0.328 453 Y C -0.003 176.112 175.900 0.359 0.000 1.174 453 Y CA -1.296 56.977 58.100 0.289 0.000 1.293 453 Y CB 0.634 39.215 38.460 0.202 0.000 1.464 453 Y HN 0.149 nan 8.280 nan 0.000 0.559 454 L N 0.751 122.263 121.223 0.481 0.000 2.506 454 L HA 0.536 4.877 4.340 0.001 0.000 0.257 454 L C -2.061 174.989 176.870 0.301 0.000 0.964 454 L CA -0.652 54.454 54.840 0.444 0.000 0.836 454 L CB 2.041 44.382 42.059 0.471 0.000 1.384 454 L HN 0.772 nan 8.230 nan 0.000 0.410 455 H N 3.973 123.125 119.070 0.137 0.000 3.240 455 H HA 0.542 5.098 4.556 0.001 0.000 0.326 455 H C -1.878 173.423 175.328 -0.045 0.000 1.015 455 H CA -0.450 55.606 56.048 0.015 0.000 1.504 455 H CB 0.849 30.604 29.762 -0.011 0.000 1.754 455 H HN 0.687 nan 8.280 nan 0.000 0.505 456 L N 4.330 125.292 121.223 -0.435 0.000 2.319 456 L HA 0.390 4.731 4.340 0.001 0.000 0.280 456 L C 0.080 176.503 176.870 -0.745 0.000 1.099 456 L CA -0.387 54.108 54.840 -0.575 0.000 0.828 456 L CB 1.042 42.830 42.059 -0.451 0.000 1.150 456 L HN 0.760 nan 8.230 nan 0.000 0.442 457 S N 2.936 118.294 115.700 -0.569 0.000 2.500 457 S HA 0.845 5.315 4.470 0.001 0.000 0.301 457 S C -0.796 173.664 174.600 -0.234 0.000 1.092 457 S CA -0.731 57.234 58.200 -0.391 0.000 1.030 457 S CB 2.263 65.288 63.200 -0.291 0.000 1.031 457 S HN 0.260 nan 8.310 nan 0.000 0.483 458 V N 3.045 122.855 119.914 -0.172 0.000 3.012 458 V HA 0.586 4.706 4.120 0.001 0.000 0.307 458 V C -2.432 173.601 176.094 -0.102 0.000 1.166 458 V CA -1.817 60.403 62.300 -0.134 0.000 0.974 458 V CB 2.529 34.264 31.823 -0.146 0.000 1.040 458 V HN 0.959 nan 8.190 nan 0.000 0.428 459 P HA 0.202 nan 4.420 nan 0.000 0.270 459 P C 0.263 177.510 177.300 -0.089 0.000 1.242 459 P CA -0.302 62.756 63.100 -0.071 0.000 0.768 459 P CB 0.718 32.383 31.700 -0.058 0.000 0.820 460 R N 1.629 122.077 120.500 -0.086 0.000 2.303 460 R HA 0.008 4.348 4.340 0.001 0.000 0.225 460 R C 0.524 176.763 176.300 -0.101 0.000 1.114 460 R CA 0.207 56.247 56.100 -0.100 0.000 1.007 460 R CB -0.994 29.258 30.300 -0.079 0.000 0.861 460 R HN 0.358 nan 8.270 nan 0.000 0.471 461 V N 2.364 122.228 119.914 -0.083 0.000 2.617 461 V HA -0.100 4.020 4.120 0.001 0.000 0.304 461 V C 0.929 176.968 176.094 -0.091 0.000 1.040 461 V CA -0.107 62.148 62.300 -0.074 0.000 1.149 461 V CB 0.361 32.149 31.823 -0.058 0.000 0.914 461 V HN 0.183 nan 8.190 nan 0.000 0.487 462 E N 3.923 124.071 120.200 -0.086 0.000 2.437 462 E HA 0.291 4.641 4.350 0.001 0.000 0.263 462 E C -1.002 175.549 176.600 -0.083 0.000 1.030 462 E CA -0.066 56.275 56.400 -0.098 0.000 0.934 462 E CB 0.444 30.099 29.700 -0.074 0.000 0.943 462 E HN 0.479 nan 8.360 nan 0.000 0.444 463 L N 2.230 123.398 121.223 -0.091 0.000 2.408 463 L HA 0.517 4.858 4.340 0.001 0.000 0.268 463 L C -0.361 176.472 176.870 -0.063 0.000 0.986 463 L CA -0.887 53.910 54.840 -0.071 0.000 0.820 463 L CB 1.612 43.629 42.059 -0.070 0.000 1.303 463 L HN 0.311 nan 8.230 nan 0.000 0.411 464 K N 2.415 122.784 120.400 -0.052 0.000 2.138 464 K HA 0.361 4.682 4.320 0.001 0.000 0.251 464 K C -1.985 174.584 176.600 -0.052 0.000 1.015 464 K CA -1.389 54.873 56.287 -0.043 0.000 0.917 464 K CB 0.517 32.998 32.500 -0.033 0.000 1.021 464 K HN 0.467 nan 8.250 nan 0.000 0.485 465 P HA 0.048 nan 4.420 nan 0.000 0.228 465 P C -0.173 177.088 177.300 -0.064 0.000 1.748 465 P CA 0.275 63.344 63.100 -0.051 0.000 0.909 465 P CB -0.038 31.656 31.700 -0.011 0.000 1.882 466 G N -0.552 108.202 108.800 -0.077 0.000 2.524 466 G HA2 0.008 3.968 3.960 0.001 0.000 0.165 466 G HA3 0.008 3.968 3.960 0.001 0.000 0.165 466 G C 0.389 175.237 174.900 -0.087 0.000 1.427 466 G CA -0.022 45.035 45.100 -0.072 0.000 0.794 466 G HN 0.191 nan 8.290 nan 0.000 1.024 467 E N 1.292 121.439 120.200 -0.089 0.000 2.451 467 E HA 0.493 4.843 4.350 0.001 0.000 0.256 467 E C 0.070 176.597 176.600 -0.120 0.000 1.294 467 E CA 0.553 56.900 56.400 -0.089 0.000 1.005 467 E CB 0.550 30.203 29.700 -0.078 0.000 0.990 467 E HN 0.259 nan 8.360 nan 0.000 0.505 468 T N 0.017 114.510 114.554 -0.102 0.000 2.928 468 T HA 0.510 4.861 4.350 0.001 0.000 0.296 468 T C -1.033 173.612 174.700 -0.091 0.000 1.000 468 T CA -0.903 61.130 62.100 -0.113 0.000 0.989 468 T CB 0.898 69.714 68.868 -0.086 0.000 1.005 468 T HN 0.260 nan 8.240 nan 0.000 0.442 469 L N 2.656 123.816 121.223 -0.104 0.000 2.307 469 L HA 0.615 4.956 4.340 0.001 0.000 0.282 469 L C -0.790 176.043 176.870 -0.061 0.000 1.051 469 L CA -0.546 54.249 54.840 -0.075 0.000 0.804 469 L CB 1.033 43.056 42.059 -0.059 0.000 1.197 469 L HN 0.613 nan 8.230 nan 0.000 0.431 470 N N 4.062 122.733 118.700 -0.049 0.000 2.527 470 N HA 0.298 5.039 4.740 0.001 0.000 0.236 470 N C -1.201 174.276 175.510 -0.054 0.000 0.999 470 N CA -0.266 52.766 53.050 -0.031 0.000 0.935 470 N CB 1.466 39.943 38.487 -0.016 0.000 1.132 470 N HN 0.395 nan 8.380 nan 0.000 0.511 471 V N 2.233 122.106 119.914 -0.069 0.000 2.368 471 V HA 0.292 4.412 4.120 0.001 0.000 0.266 471 V C 0.353 176.361 176.094 -0.144 0.000 1.045 471 V CA -0.998 61.177 62.300 -0.209 0.000 0.899 471 V CB 0.270 31.852 31.823 -0.402 0.000 1.006 471 V HN 0.391 nan 8.190 nan 0.000 0.470 472 N N 3.896 122.513 118.700 -0.138 0.000 2.499 472 N HA 0.443 5.184 4.740 0.001 0.000 0.281 472 N C -0.869 174.596 175.510 -0.076 0.000 1.098 472 N CA -0.143 52.903 53.050 -0.006 0.000 0.979 472 N CB 1.262 39.792 38.487 0.072 0.000 1.121 472 N HN 0.599 nan 8.380 nan 0.000 0.466 473 F N 1.586 121.475 119.950 -0.102 0.000 2.310 473 F HA 0.183 4.711 4.527 0.001 0.000 0.365 473 F C 0.246 176.026 175.800 -0.033 0.000 1.080 473 F CA -0.874 57.022 58.000 -0.174 0.000 1.187 473 F CB 0.200 38.893 39.000 -0.512 0.000 1.465 473 F HN 0.312 nan 8.300 nan 0.000 0.496 474 H N 2.773 121.903 119.070 0.099 0.000 2.819 474 H HA 0.297 4.854 4.556 0.001 0.000 0.303 474 H C -0.352 175.124 175.328 0.247 0.000 1.058 474 H CA -0.285 55.865 56.048 0.171 0.000 1.471 474 H CB 0.826 30.695 29.762 0.178 0.000 1.480 474 H HN 0.420 nan 8.280 nan 0.000 0.517 475 L N 3.441 124.872 121.223 0.346 0.000 2.309 475 L HA 0.464 4.805 4.340 0.001 0.000 0.282 475 L C -0.198 176.823 176.870 0.252 0.000 1.036 475 L CA -0.336 54.694 54.840 0.317 0.000 0.806 475 L CB 1.004 43.191 42.059 0.212 0.000 1.220 475 L HN 0.649 nan 8.230 nan 0.000 0.429 476 R N 2.954 123.611 120.500 0.262 0.000 2.754 476 R HA 0.273 4.614 4.340 0.001 0.000 0.255 476 R C -0.587 175.802 176.300 0.147 0.000 1.723 476 R CA 0.081 56.310 56.100 0.215 0.000 1.596 476 R CB 0.476 30.944 30.300 0.281 0.000 1.424 476 R HN 0.953 nan 8.270 nan 0.000 0.662 477 T N -2.316 112.288 114.554 0.084 0.000 2.891 477 T HA 0.387 4.737 4.350 0.001 0.000 0.294 477 T C 0.263 174.965 174.700 0.004 0.000 1.065 477 T CA -0.601 61.515 62.100 0.027 0.000 0.936 477 T CB 1.200 70.077 68.868 0.014 0.000 1.415 477 T HN 0.041 nan 8.240 nan 0.000 0.572 478 D N 0.852 121.244 120.400 -0.014 0.000 2.384 478 D HA 0.475 5.116 4.640 0.001 0.000 0.250 478 D C -2.558 173.738 176.300 -0.007 0.000 1.029 478 D CA -1.652 52.340 54.000 -0.013 0.000 0.990 478 D CB 1.052 41.836 40.800 -0.027 0.000 1.175 478 D HN 0.287 nan 8.370 nan 0.000 0.532 479 P HA -0.076 nan 4.420 nan 0.000 0.263 479 P C 0.855 178.151 177.300 -0.007 0.000 1.145 479 P CA 1.444 64.543 63.100 -0.002 0.000 0.755 479 P CB 0.273 31.972 31.700 -0.001 0.000 0.746 480 G N 3.144 111.940 108.800 -0.007 0.000 2.530 480 G HA2 -0.365 3.596 3.960 0.001 0.000 0.247 480 G HA3 -0.365 3.596 3.960 0.001 0.000 0.247 480 G C 1.319 176.209 174.900 -0.018 0.000 1.067 480 G CA 0.583 45.676 45.100 -0.011 0.000 0.650 480 G HN 0.515 nan 8.290 nan 0.000 0.531 481 E N 0.753 120.942 120.200 -0.017 0.000 2.058 481 E HA -0.144 4.207 4.350 0.001 0.000 0.194 481 E C 2.369 178.940 176.600 -0.048 0.000 0.997 481 E CA 1.406 57.791 56.400 -0.024 0.000 0.801 481 E CB -0.540 29.152 29.700 -0.014 0.000 0.746 481 E HN 0.781 nan 8.360 nan 0.000 0.450 482 Q N 0.250 120.022 119.800 -0.046 0.000 1.850 482 Q HA -0.276 4.064 4.340 0.001 0.000 0.285 482 Q C 2.047 177.987 176.000 -0.100 0.000 1.057 482 Q CA 2.200 57.962 55.803 -0.069 0.000 0.892 482 Q CB -0.610 28.105 28.738 -0.039 0.000 1.003 482 Q HN 0.356 nan 8.270 nan 0.000 0.422 483 A N 0.735 123.512 122.820 -0.072 0.000 2.298 483 A HA -0.216 4.105 4.320 0.001 0.000 0.215 483 A C 1.785 179.318 177.584 -0.086 0.000 1.193 483 A CA 1.516 53.508 52.037 -0.075 0.000 0.697 483 A CB -0.492 18.480 19.000 -0.047 0.000 0.774 483 A HN 0.330 nan 8.150 nan 0.000 0.492 484 K N -0.191 120.153 120.400 -0.094 0.000 2.418 484 K HA 0.097 4.417 4.320 0.001 0.000 0.195 484 K C 0.013 176.532 176.600 -0.136 0.000 1.035 484 K CA 0.431 56.667 56.287 -0.085 0.000 1.003 484 K CB -0.147 32.321 32.500 -0.055 0.000 0.793 484 K HN 0.750 nan 8.250 nan 0.000 0.494 485 I N -0.537 119.896 120.570 -0.228 0.000 2.418 485 I HA 0.327 4.497 4.170 0.001 0.000 0.287 485 I C 0.260 176.151 176.117 -0.378 0.000 1.008 485 I CA -0.924 60.154 61.300 -0.370 0.000 1.104 485 I CB 1.892 39.556 38.000 -0.560 0.000 1.264 485 I HN -0.101 nan 8.210 nan 0.000 0.438 486 R N 4.231 124.536 120.500 -0.325 0.000 2.508 486 R HA 0.292 4.632 4.340 0.001 0.000 0.300 486 R C -0.880 175.396 176.300 -0.041 0.000 0.970 486 R CA -0.268 55.742 56.100 -0.149 0.000 1.102 486 R CB 0.151 30.457 30.300 0.010 0.000 1.246 486 R HN 0.762 nan 8.270 nan 0.000 0.539 487 Y N -2.095 118.039 120.300 -0.276 0.000 2.552 487 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 487 Y C -1.871 173.757 175.900 -0.452 0.000 1.094 487 Y CA -2.446 55.441 58.100 -0.356 0.000 1.028 487 Y CB 0.732 38.974 38.460 -0.364 0.000 1.321 487 Y HN -0.108 nan 8.280 nan 0.000 0.456 488 Y N 1.762 121.981 120.300 -0.135 0.000 2.328 488 Y HA 0.525 5.076 4.550 0.001 0.000 0.337 488 Y C 0.184 175.980 175.900 -0.173 0.000 0.966 488 Y CA -0.932 57.104 58.100 -0.107 0.000 1.136 488 Y CB 2.174 40.557 38.460 -0.129 0.000 1.170 488 Y HN 0.738 nan 8.280 nan 0.000 0.470 489 T N 1.435 115.925 114.554 -0.106 0.000 2.743 489 T HA 0.536 4.886 4.350 0.001 0.000 0.293 489 T C -0.864 173.800 174.700 -0.059 0.000 0.945 489 T CA -0.555 61.385 62.100 -0.267 0.000 1.030 489 T CB -0.046 68.536 68.868 -0.476 0.000 0.912 489 T HN 0.485 nan 8.240 nan 0.000 0.483 490 Y N 1.542 121.859 120.300 0.027 0.000 2.536 490 Y HA 0.874 5.425 4.550 0.001 0.000 0.347 490 Y C -1.306 174.663 175.900 0.115 0.000 1.000 490 Y CA -2.607 55.565 58.100 0.120 0.000 1.051 490 Y CB 1.346 39.906 38.460 0.167 0.000 1.259 490 Y HN 0.536 nan 8.280 nan 0.000 0.468 491 M N 3.659 123.532 119.600 0.454 0.000 2.530 491 M HA 0.541 5.022 4.480 0.001 0.000 0.307 491 M C -1.498 174.937 176.300 0.224 0.000 1.161 491 M CA -0.676 54.812 55.300 0.314 0.000 0.903 491 M CB 2.217 34.963 32.600 0.245 0.000 1.711 491 M HN 0.477 nan 8.290 nan 0.000 0.451 492 I N 3.198 123.849 120.570 0.135 0.000 2.362 492 I HA 0.442 4.613 4.170 0.001 0.000 0.289 492 I C -0.890 175.218 176.117 -0.014 0.000 0.994 492 I CA -0.477 60.833 61.300 0.016 0.000 1.158 492 I CB 1.243 39.177 38.000 -0.110 0.000 1.315 492 I HN 0.644 nan 8.210 nan 0.000 0.451 493 M N 5.496 125.116 119.600 0.033 0.000 2.129 493 M HA 0.304 4.784 4.480 0.001 0.000 0.348 493 M C -0.416 175.894 176.300 0.016 0.000 1.116 493 M CA -0.287 55.035 55.300 0.036 0.000 1.022 493 M CB 0.543 33.195 32.600 0.087 0.000 1.599 493 M HN 0.563 nan 8.290 nan 0.000 0.449 494 N N 2.751 121.422 118.700 -0.048 0.000 2.549 494 N HA 0.292 5.033 4.740 0.001 0.000 0.290 494 N C -1.152 174.321 175.510 -0.061 0.000 1.122 494 N CA -0.285 52.719 53.050 -0.076 0.000 0.885 494 N CB 0.940 39.280 38.487 -0.245 0.000 1.455 494 N HN 0.592 nan 8.380 nan 0.000 0.521 495 K N 2.833 123.222 120.400 -0.018 0.000 3.218 495 K HA -0.131 4.189 4.320 0.001 0.000 0.276 495 K C 0.559 177.159 176.600 -0.000 0.000 1.173 495 K CA 0.603 56.886 56.287 -0.006 0.000 0.812 495 K CB -1.760 30.718 32.500 -0.036 0.000 1.275 495 K HN 1.058 nan 8.250 nan 0.000 0.504 496 G N 0.307 109.129 108.800 0.036 0.000 2.203 496 G HA2 -0.368 3.592 3.960 0.001 0.000 0.263 496 G HA3 -0.368 3.592 3.960 0.001 0.000 0.263 496 G C -0.147 174.779 174.900 0.043 0.000 1.012 496 G CA 1.299 46.432 45.100 0.056 0.000 0.749 496 G HN 0.392 nan 8.290 nan 0.000 0.512 497 K N -1.030 119.379 120.400 0.015 0.000 2.395 497 K HA 0.652 4.972 4.320 0.001 0.000 0.247 497 K C -0.230 176.375 176.600 0.009 0.000 0.973 497 K CA -1.139 55.156 56.287 0.013 0.000 0.828 497 K CB 2.267 34.760 32.500 -0.012 0.000 1.272 497 K HN 0.064 nan 8.250 nan 0.000 0.439 498 L N 4.069 125.305 121.223 0.022 0.000 2.363 498 L HA 0.026 4.367 4.340 0.001 0.000 0.286 498 L C 0.610 177.475 176.870 -0.008 0.000 1.106 498 L CA -0.222 54.634 54.840 0.028 0.000 0.859 498 L CB 0.338 42.429 42.059 0.053 0.000 1.223 498 L HN 0.632 nan 8.230 nan 0.000 0.446 499 L N 5.102 126.294 121.223 -0.052 0.000 1.960 499 L HA 0.128 4.468 4.340 0.001 0.000 0.209 499 L C 0.490 177.328 176.870 -0.053 0.000 1.090 499 L CA 1.724 56.499 54.840 -0.110 0.000 0.759 499 L CB -0.141 41.748 42.059 -0.283 0.000 0.892 499 L HN 0.449 nan 8.230 nan 0.000 0.436 500 K N -0.688 119.698 120.400 -0.024 0.000 2.395 500 K HA 0.620 4.940 4.320 0.001 0.000 0.247 500 K C -1.379 175.286 176.600 0.109 0.000 0.973 500 K CA -0.658 55.659 56.287 0.049 0.000 0.828 500 K CB 2.244 34.799 32.500 0.091 0.000 1.272 500 K HN -0.050 nan 8.250 nan 0.000 0.439 501 V N -1.033 118.926 119.914 0.074 0.000 2.398 501 V HA 0.703 4.823 4.120 0.001 0.000 0.282 501 V C 0.150 176.166 176.094 -0.131 0.000 1.014 501 V CA -0.966 61.351 62.300 0.028 0.000 0.838 501 V CB 1.201 33.036 31.823 0.019 0.000 1.018 501 V HN 0.746 nan 8.190 nan 0.000 0.432 502 G N 2.740 111.289 108.800 -0.418 0.000 2.453 502 G HA2 0.709 4.669 3.960 0.001 0.000 0.323 502 G HA3 0.709 4.669 3.960 0.001 0.000 0.323 502 G C -1.065 173.170 174.900 -1.110 0.000 1.198 502 G CA -1.207 43.498 45.100 -0.657 0.000 0.959 502 G HN 0.662 nan 8.290 nan 0.000 0.482 503 R N 0.182 120.273 120.500 -0.682 0.000 2.265 503 R HA 0.433 4.774 4.340 0.001 0.000 0.328 503 R C -0.446 175.510 176.300 -0.573 0.000 0.969 503 R CA -0.688 54.985 56.100 -0.711 0.000 0.832 503 R CB 1.318 31.140 30.300 -0.797 0.000 1.139 503 R HN 0.442 nan 8.270 nan 0.000 0.457 504 Q N 4.641 124.184 119.800 -0.429 0.000 2.569 504 Q HA 0.216 4.556 4.340 0.001 0.000 0.226 504 Q C -1.311 174.596 176.000 -0.155 0.000 1.136 504 Q CA -0.324 55.344 55.803 -0.225 0.000 0.947 504 Q CB 0.034 28.579 28.738 -0.322 0.000 1.218 504 Q HN 0.543 nan 8.270 nan 0.000 0.547 505 Y N 1.730 122.004 120.300 -0.043 0.000 2.459 505 Y HA 0.293 4.843 4.550 0.001 0.000 0.349 505 Y C 0.527 176.407 175.900 -0.034 0.000 1.266 505 Y CA 0.122 58.209 58.100 -0.022 0.000 1.483 505 Y CB 0.589 39.032 38.460 -0.029 0.000 1.362 505 Y HN 0.534 nan 8.280 nan 0.000 0.628 506 R N -0.375 120.190 120.500 0.107 0.000 2.515 506 R HA 0.458 4.798 4.340 0.001 0.000 0.278 506 R C -1.965 174.331 176.300 -0.006 0.000 1.107 506 R CA -0.927 55.195 56.100 0.037 0.000 0.945 506 R CB 1.086 31.406 30.300 0.032 0.000 1.219 506 R HN 0.474 nan 8.270 nan 0.000 0.434 507 E N 4.557 124.754 120.200 -0.004 0.000 2.301 507 E HA 0.378 4.729 4.350 0.001 0.000 0.275 507 E C -1.980 174.601 176.600 -0.033 0.000 1.030 507 E CA -2.344 54.042 56.400 -0.023 0.000 0.852 507 E CB 0.923 30.609 29.700 -0.023 0.000 1.060 507 E HN 0.526 nan 8.360 nan 0.000 0.401 508 P HA -0.112 nan 4.420 nan 0.000 0.265 508 P C 0.589 177.873 177.300 -0.028 0.000 1.167 508 P CA 1.547 64.621 63.100 -0.044 0.000 0.760 508 P CB 0.439 32.115 31.700 -0.040 0.000 0.783 509 G N 2.015 110.800 108.800 -0.025 0.000 2.258 509 G HA2 -0.244 3.716 3.960 0.001 0.000 0.233 509 G HA3 -0.244 3.716 3.960 0.001 0.000 0.233 509 G C 0.078 174.976 174.900 -0.004 0.000 1.006 509 G CA -0.210 44.883 45.100 -0.011 0.000 0.620 509 G HN 0.608 nan 8.290 nan 0.000 0.511 510 Q N 1.798 121.595 119.800 -0.005 0.000 2.337 510 Q HA 0.413 4.753 4.340 0.001 0.000 0.255 510 Q C -0.194 175.820 176.000 0.023 0.000 0.997 510 Q CA 0.328 56.136 55.803 0.008 0.000 0.925 510 Q CB 0.607 29.353 28.738 0.013 0.000 1.212 510 Q HN 0.590 nan 8.270 nan 0.000 0.436 511 D N 3.341 123.758 120.400 0.028 0.000 2.670 511 D HA 0.121 4.762 4.640 0.001 0.000 0.255 511 D C -0.058 176.254 176.300 0.020 0.000 1.286 511 D CA -0.191 53.840 54.000 0.053 0.000 0.830 511 D CB 0.446 41.280 40.800 0.057 0.000 1.065 511 D HN 0.288 nan 8.370 nan 0.000 0.486 512 L N 0.227 121.448 121.223 -0.003 0.000 2.859 512 L HA 0.175 4.515 4.340 0.001 0.000 0.334 512 L C -1.231 175.625 176.870 -0.023 0.000 1.283 512 L CA -0.417 54.353 54.840 -0.116 0.000 0.728 512 L CB 0.584 42.527 42.059 -0.193 0.000 1.110 512 L HN -0.120 nan 8.230 nan 0.000 0.550 513 V N 0.780 120.740 119.914 0.076 0.000 2.872 513 V HA 0.296 4.416 4.120 0.001 0.000 0.307 513 V C -0.052 176.135 176.094 0.156 0.000 1.072 513 V CA 0.412 62.767 62.300 0.093 0.000 1.148 513 V CB 1.546 33.428 31.823 0.099 0.000 0.954 513 V HN 0.128 nan 8.190 nan 0.000 0.490 514 V N 7.168 127.158 119.914 0.128 0.000 2.487 514 V HA 0.400 4.520 4.120 0.001 0.000 0.298 514 V C -0.353 175.842 176.094 0.168 0.000 1.028 514 V CA -0.661 61.742 62.300 0.171 0.000 0.860 514 V CB 1.597 33.469 31.823 0.082 0.000 0.991 514 V HN 0.751 nan 8.190 nan 0.000 0.427 515 L N 8.884 130.271 121.223 0.275 0.000 2.275 515 L HA 0.740 5.080 4.340 0.001 0.000 0.288 515 L C -2.463 174.477 176.870 0.118 0.000 1.046 515 L CA -1.355 53.625 54.840 0.232 0.000 0.805 515 L CB 1.901 44.216 42.059 0.427 0.000 1.193 515 L HN 0.415 nan 8.230 nan 0.000 0.426 516 P HA 0.243 nan 4.420 nan 0.000 0.295 516 P C -1.310 175.985 177.300 -0.008 0.000 1.397 516 P CA -0.500 62.609 63.100 0.015 0.000 0.903 516 P CB 1.437 33.144 31.700 0.011 0.000 1.028 517 L N 4.771 125.960 121.223 -0.058 0.000 2.309 517 L HA 0.484 4.825 4.340 0.001 0.000 0.282 517 L C 0.293 177.036 176.870 -0.211 0.000 1.036 517 L CA -0.041 54.726 54.840 -0.122 0.000 0.806 517 L CB 1.447 43.404 42.059 -0.171 0.000 1.220 517 L HN 0.334 nan 8.230 nan 0.000 0.429 518 T N 2.744 117.148 114.554 -0.249 0.000 2.727 518 T HA 0.431 4.782 4.350 0.001 0.000 0.298 518 T C 0.555 174.877 174.700 -0.630 0.000 0.942 518 T CA -0.369 61.546 62.100 -0.308 0.000 0.997 518 T CB -0.239 68.511 68.868 -0.197 0.000 0.917 518 T HN 0.444 nan 8.240 nan 0.000 0.487 519 I N 5.213 125.406 120.570 -0.628 0.000 2.352 519 I HA 0.054 4.225 4.170 0.001 0.000 0.303 519 I C 1.675 177.436 176.117 -0.592 0.000 1.194 519 I CA -0.433 60.325 61.300 -0.903 0.000 1.518 519 I CB -0.827 36.929 38.000 -0.406 0.000 1.489 519 I HN 0.823 nan 8.210 nan 0.000 0.702 520 T N 0.682 114.878 114.554 -0.596 0.000 2.689 520 T HA 0.035 4.385 4.350 0.001 0.000 0.308 520 T C 1.565 176.321 174.700 0.093 0.000 1.021 520 T CA -0.108 61.938 62.100 -0.090 0.000 0.973 520 T CB 0.889 69.798 68.868 0.068 0.000 1.113 520 T HN 0.567 nan 8.240 nan 0.000 0.522 521 S N -0.158 115.594 115.700 0.088 0.000 2.400 521 S HA -0.167 4.303 4.470 0.001 0.000 0.232 521 S C 1.338 176.015 174.600 0.128 0.000 1.025 521 S CA 1.267 59.519 58.200 0.088 0.000 0.993 521 S CB -0.800 62.435 63.200 0.057 0.000 0.808 521 S HN 0.753 nan 8.310 nan 0.000 0.478 522 D N 0.296 120.801 120.400 0.175 0.000 2.392 522 D HA 0.042 4.682 4.640 0.001 0.000 0.228 522 D C 0.402 176.699 176.300 -0.006 0.000 1.003 522 D CA 0.648 54.691 54.000 0.072 0.000 0.917 522 D CB -0.128 40.678 40.800 0.009 0.000 0.890 522 D HN 0.473 nan 8.370 nan 0.000 0.532 523 F N -0.220 119.688 119.950 -0.070 0.000 2.717 523 F HA 0.114 4.641 4.527 0.001 0.000 0.295 523 F C 1.897 177.665 175.800 -0.053 0.000 1.117 523 F CA -0.683 57.301 58.000 -0.027 0.000 1.361 523 F CB -0.264 38.723 39.000 -0.023 0.000 1.112 523 F HN -0.180 nan 8.300 nan 0.000 0.594 524 I N 1.543 122.144 120.570 0.052 0.000 2.181 524 I HA -0.234 3.936 4.170 0.001 0.000 0.240 524 I C -1.538 174.322 176.117 -0.429 0.000 1.006 524 I CA 1.765 62.984 61.300 -0.135 0.000 1.284 524 I CB -1.116 36.834 38.000 -0.084 0.000 0.990 524 I HN -0.154 nan 8.210 nan 0.000 0.408 525 P HA 0.148 nan 4.420 nan 0.000 0.292 525 P C -0.310 176.748 177.300 -0.402 0.000 1.287 525 P CA -0.055 62.481 63.100 -0.939 0.000 0.800 525 P CB 0.995 31.812 31.700 -1.472 0.000 0.945 526 S N 2.401 117.912 115.700 -0.315 0.000 2.904 526 S HA -0.081 4.389 4.470 0.001 0.000 0.353 526 S C 0.307 174.814 174.600 -0.155 0.000 1.213 526 S CA 0.810 58.817 58.200 -0.323 0.000 0.972 526 S CB -0.844 62.262 63.200 -0.157 0.000 0.625 526 S HN 0.600 nan 8.310 nan 0.000 0.429 527 F N -1.128 118.663 119.950 -0.265 0.000 2.664 527 F HA 0.863 5.391 4.527 0.001 0.000 0.317 527 F C -0.578 175.158 175.800 -0.106 0.000 1.108 527 F CA -1.446 56.465 58.000 -0.150 0.000 0.957 527 F CB 1.467 40.391 39.000 -0.126 0.000 1.365 527 F HN 0.432 nan 8.300 nan 0.000 0.475 528 R N 1.214 121.929 120.500 0.358 0.000 2.744 528 R HA 0.783 5.123 4.340 0.001 0.000 0.279 528 R C -2.190 174.256 176.300 0.242 0.000 0.977 528 R CA -1.196 55.062 56.100 0.263 0.000 0.906 528 R CB 2.528 32.943 30.300 0.191 0.000 1.197 528 R HN 0.791 nan 8.270 nan 0.000 0.463 529 L N 3.121 124.440 121.223 0.160 0.000 2.436 529 L HA 0.592 4.932 4.340 0.001 0.000 0.268 529 L C -1.399 175.489 176.870 0.029 0.000 0.974 529 L CA -0.749 54.127 54.840 0.060 0.000 0.826 529 L CB 2.093 44.135 42.059 -0.029 0.000 1.291 529 L HN 0.439 nan 8.230 nan 0.000 0.406 530 V N 2.057 122.011 119.914 0.067 0.000 2.735 530 V HA 1.083 5.203 4.120 0.001 0.000 0.310 530 V C -0.526 175.680 176.094 0.187 0.000 1.061 530 V CA -0.125 62.207 62.300 0.052 0.000 0.913 530 V CB 1.212 33.033 31.823 -0.005 0.000 1.005 530 V HN 1.324 nan 8.190 nan 0.000 0.428 531 A N 3.882 126.821 122.820 0.199 0.000 2.520 531 A HA 0.988 5.309 4.320 0.001 0.000 0.298 531 A C -1.243 176.570 177.584 0.381 0.000 1.051 531 A CA -0.530 51.719 52.037 0.353 0.000 0.690 531 A CB 1.798 21.083 19.000 0.474 0.000 1.281 531 A HN 2.227 nan 8.150 nan 0.000 0.402 532 Y N -0.560 119.949 120.300 0.348 0.000 2.655 532 Y HA 0.847 5.398 4.550 0.001 0.000 0.336 532 Y C -1.352 174.731 175.900 0.304 0.000 1.154 532 Y CA -1.729 56.533 58.100 0.271 0.000 1.055 532 Y CB 1.106 39.770 38.460 0.340 0.000 1.295 532 Y HN 1.107 nan 8.280 nan 0.000 0.465 533 Y N -2.073 118.421 120.300 0.323 0.000 2.504 533 Y HA 0.642 5.193 4.550 0.001 0.000 0.344 533 Y C -0.917 175.106 175.900 0.205 0.000 1.023 533 Y CA -1.570 56.540 58.100 0.017 0.000 1.020 533 Y CB 1.769 40.116 38.460 -0.188 0.000 1.282 533 Y HN 0.635 nan 8.280 nan 0.000 0.454 534 T N 4.775 119.503 114.554 0.289 0.000 3.285 534 T HA 0.135 4.485 4.350 0.001 0.000 0.232 534 T C -0.029 174.798 174.700 0.211 0.000 0.973 534 T CA -0.398 61.883 62.100 0.301 0.000 1.023 534 T CB -0.892 68.243 68.868 0.444 0.000 1.158 534 T HN 0.691 nan 8.240 nan 0.000 0.590 535 L N 3.384 124.782 121.223 0.291 0.000 2.825 535 L HA 0.092 4.432 4.340 0.001 0.000 0.278 535 L C 0.561 177.506 176.870 0.124 0.000 1.125 535 L CA 0.200 55.158 54.840 0.196 0.000 1.023 535 L CB -0.434 41.821 42.059 0.326 0.000 1.377 535 L HN 0.438 nan 8.230 nan 0.000 0.471 536 I N 2.520 123.138 120.570 0.081 0.000 2.453 536 I HA 0.117 4.287 4.170 0.001 0.000 0.300 536 I C 0.919 177.061 176.117 0.041 0.000 1.159 536 I CA -0.178 61.160 61.300 0.062 0.000 1.379 536 I CB -0.840 37.195 38.000 0.059 0.000 1.460 536 I HN 0.751 nan 8.210 nan 0.000 0.601 537 N N 3.869 122.592 118.700 0.038 0.000 2.108 537 N HA -0.200 4.540 4.740 0.001 0.000 0.243 537 N C 1.373 176.889 175.510 0.011 0.000 1.237 537 N CA 0.666 53.729 53.050 0.022 0.000 0.853 537 N CB 0.589 39.081 38.487 0.009 0.000 1.071 537 N HN 0.829 nan 8.380 nan 0.000 0.462 538 A N 1.895 124.716 122.820 0.003 0.000 2.066 538 A HA -0.080 4.241 4.320 0.001 0.000 0.218 538 A C 1.373 178.956 177.584 -0.002 0.000 1.157 538 A CA 1.148 53.184 52.037 -0.001 0.000 0.670 538 A CB 0.022 19.019 19.000 -0.006 0.000 0.804 538 A HN 0.686 nan 8.150 nan 0.000 0.453 539 K N -0.770 119.628 120.400 -0.004 0.000 2.446 539 K HA 0.272 4.592 4.320 0.001 0.000 0.203 539 K C 0.717 177.315 176.600 -0.002 0.000 1.027 539 K CA 0.335 56.618 56.287 -0.006 0.000 1.166 539 K CB -0.027 32.466 32.500 -0.013 0.000 0.869 539 K HN 0.531 nan 8.250 nan 0.000 0.504 540 G N 2.232 111.034 108.800 0.003 0.000 2.221 540 G HA2 -0.237 3.723 3.960 0.001 0.000 0.265 540 G HA3 -0.237 3.723 3.960 0.001 0.000 0.265 540 G C -0.363 174.542 174.900 0.008 0.000 1.041 540 G CA 0.057 45.162 45.100 0.008 0.000 0.807 540 G HN 0.249 nan 8.290 nan 0.000 0.502 541 Q N -0.809 118.996 119.800 0.007 0.000 2.282 541 Q HA 0.411 4.751 4.340 0.001 0.000 0.260 541 Q C 0.751 176.763 176.000 0.019 0.000 0.964 541 Q CA -0.922 54.883 55.803 0.003 0.000 0.880 541 Q CB 1.452 30.182 28.738 -0.013 0.000 1.286 541 Q HN 0.406 nan 8.270 nan 0.000 0.445 542 R N 1.651 122.166 120.500 0.025 0.000 2.547 542 R HA 0.010 4.351 4.340 0.001 0.000 0.258 542 R C 0.127 176.458 176.300 0.052 0.000 1.115 542 R CA -0.020 56.112 56.100 0.052 0.000 1.152 542 R CB 0.121 30.457 30.300 0.060 0.000 1.221 542 R HN 0.687 nan 8.270 nan 0.000 0.539 543 E N 0.419 120.630 120.200 0.019 0.000 2.739 543 E HA -0.139 4.211 4.350 0.001 0.000 0.278 543 E C -1.150 175.468 176.600 0.031 0.000 0.978 543 E CA 0.542 56.933 56.400 -0.014 0.000 0.978 543 E CB 0.609 30.304 29.700 -0.009 0.000 0.982 543 E HN -0.020 nan 8.360 nan 0.000 0.469 544 V N 4.869 124.774 119.914 -0.016 0.000 2.577 544 V HA 0.359 4.479 4.120 0.001 0.000 0.303 544 V C -0.521 175.580 176.094 0.012 0.000 1.042 544 V CA -0.855 61.479 62.300 0.055 0.000 0.872 544 V CB 1.877 33.789 31.823 0.149 0.000 0.998 544 V HN 0.476 nan 8.190 nan 0.000 0.423 545 V N 3.562 123.353 119.914 -0.206 0.000 2.540 545 V HA 0.975 5.095 4.120 0.001 0.000 0.302 545 V C 0.213 176.200 176.094 -0.177 0.000 1.035 545 V CA -0.028 62.162 62.300 -0.184 0.000 0.873 545 V CB 1.727 33.413 31.823 -0.228 0.000 0.992 545 V HN 1.133 nan 8.190 nan 0.000 0.428 546 A N 3.590 126.465 122.820 0.091 0.000 2.524 546 A HA 0.979 5.300 4.320 0.001 0.000 0.289 546 A C -1.435 176.121 177.584 -0.047 0.000 1.248 546 A CA -0.426 51.673 52.037 0.103 0.000 0.712 546 A CB 2.205 21.284 19.000 0.132 0.000 1.312 546 A HN 0.738 nan 8.150 nan 0.000 0.441 547 D N -2.236 118.138 120.400 -0.043 0.000 2.713 547 D HA 0.671 5.311 4.640 0.001 0.000 0.306 547 D C -1.140 175.114 176.300 -0.077 0.000 1.299 547 D CA 0.920 54.867 54.000 -0.090 0.000 0.823 547 D CB 1.942 42.714 40.800 -0.048 0.000 1.353 547 D HN 1.239 nan 8.370 nan 0.000 0.447 548 S N -0.756 114.903 115.700 -0.068 0.000 2.597 548 S HA 0.697 5.167 4.470 0.001 0.000 0.274 548 S C -1.913 172.668 174.600 -0.031 0.000 1.132 548 S CA -0.786 57.384 58.200 -0.050 0.000 0.835 548 S CB 0.943 64.118 63.200 -0.042 0.000 1.092 548 S HN 0.487 nan 8.310 nan 0.000 0.457 549 V N 0.856 120.760 119.914 -0.017 0.000 2.971 549 V HA 0.679 4.800 4.120 0.001 0.000 0.309 549 V C -1.264 174.861 176.094 0.053 0.000 1.130 549 V CA -0.753 61.549 62.300 0.003 0.000 0.964 549 V CB 1.943 33.728 31.823 -0.063 0.000 1.029 549 V HN 1.064 nan 8.190 nan 0.000 0.427 550 W N 3.455 124.673 121.300 -0.137 0.000 2.417 550 W HA 0.744 5.404 4.660 0.001 0.000 0.317 550 W C -1.158 175.180 176.519 -0.302 0.000 1.121 550 W CA -0.534 56.698 57.345 -0.188 0.000 1.208 550 W CB 1.387 30.753 29.460 -0.156 0.000 1.253 550 W HN 0.379 nan 8.180 nan 0.000 0.533 551 V N 6.785 125.954 119.914 -1.243 0.000 2.525 551 V HA 0.124 4.244 4.120 0.001 0.000 0.299 551 V C -0.658 174.408 176.094 -1.713 0.000 1.034 551 V CA -0.792 60.652 62.300 -1.426 0.000 0.863 551 V CB 1.449 32.443 31.823 -1.381 0.000 0.999 551 V HN 0.506 nan 8.190 nan 0.000 0.423 552 D N 3.816 123.340 120.400 -1.460 0.000 2.255 552 D HA 0.527 5.167 4.640 0.001 0.000 0.249 552 D C -0.464 175.482 176.300 -0.589 0.000 1.078 552 D CA 0.007 53.396 54.000 -1.018 0.000 0.896 552 D CB 1.905 42.249 40.800 -0.759 0.000 1.194 552 D HN 0.447 nan 8.370 nan 0.000 0.429 553 V N 0.786 120.460 119.914 -0.399 0.000 2.483 553 V HA 0.453 4.573 4.120 0.001 0.000 0.297 553 V C 0.066 176.070 176.094 -0.151 0.000 1.027 553 V CA -1.363 60.808 62.300 -0.215 0.000 0.855 553 V CB 1.330 33.100 31.823 -0.088 0.000 0.995 553 V HN 0.489 nan 8.190 nan 0.000 0.424 554 K N 3.145 123.486 120.400 -0.097 0.000 4.788 554 K HA -0.215 4.105 4.320 0.001 0.000 0.269 554 K C 0.418 177.013 176.600 -0.007 0.000 0.678 554 K CA 0.797 57.060 56.287 -0.040 0.000 0.716 554 K CB -1.085 31.406 32.500 -0.016 0.000 2.155 554 K HN 0.864 nan 8.250 nan 0.000 0.370 555 D N 1.823 122.229 120.400 0.010 0.000 3.011 555 D HA -0.120 4.520 4.640 0.001 0.000 0.268 555 D C -0.076 176.401 176.300 0.296 0.000 1.410 555 D CA 0.735 54.809 54.000 0.123 0.000 1.475 555 D CB 0.060 40.978 40.800 0.197 0.000 1.180 555 D HN 0.392 nan 8.370 nan 0.000 0.569 556 S N 0.672 116.573 115.700 0.335 0.000 2.806 556 S HA 0.387 4.857 4.470 0.001 0.000 0.306 556 S C 0.264 175.166 174.600 0.504 0.000 1.167 556 S CA -0.746 57.669 58.200 0.359 0.000 0.847 556 S CB 1.216 64.510 63.200 0.156 0.000 1.216 556 S HN 0.425 nan 8.310 nan 0.000 0.532 557 c N 1.397 120.152 118.600 0.259 0.000 2.776 557 c HA 0.525 5.096 4.570 0.001 0.000 0.300 557 c C 0.353 174.567 174.090 0.207 0.000 1.462 557 c CA -0.222 56.225 56.329 0.197 0.000 2.246 557 c CB -0.225 42.310 42.510 0.042 0.000 2.203 557 c HN 0.786 nan 8.230 nan 0.000 0.701 558 M N 0.332 120.014 119.600 0.137 0.000 2.271 558 M HA 0.446 4.927 4.480 0.001 0.000 0.285 558 M C 0.179 176.503 176.300 0.039 0.000 1.059 558 M CA 0.304 55.666 55.300 0.103 0.000 0.940 558 M CB 1.672 34.356 32.600 0.140 0.000 1.636 558 M HN 0.994 nan 8.290 nan 0.000 0.460 559 G N 2.545 111.359 108.800 0.023 0.000 2.326 559 G HA2 -0.206 3.755 3.960 0.001 0.000 0.286 559 G HA3 -0.206 3.755 3.960 0.001 0.000 0.286 559 G C -0.006 174.885 174.900 -0.016 0.000 1.096 559 G CA 0.334 45.433 45.100 -0.002 0.000 1.003 559 G HN 1.042 nan 8.290 nan 0.000 0.503 560 T N -2.174 112.375 114.554 -0.008 0.000 2.772 560 T HA 0.132 4.483 4.350 0.001 0.000 0.268 560 T C 0.392 175.070 174.700 -0.037 0.000 1.025 560 T CA 0.720 62.809 62.100 -0.018 0.000 1.139 560 T CB 1.465 70.326 68.868 -0.012 0.000 1.053 560 T HN 1.599 nan 8.240 nan 0.000 0.483 561 L N 3.549 124.744 121.223 -0.048 0.000 2.409 561 L HA 0.767 5.107 4.340 0.001 0.000 0.272 561 L C -1.083 175.749 176.870 -0.063 0.000 0.980 561 L CA -0.845 53.957 54.840 -0.063 0.000 0.826 561 L CB 1.669 43.680 42.059 -0.081 0.000 1.268 561 L HN 0.714 nan 8.230 nan 0.000 0.407 562 V N 4.322 124.192 119.914 -0.073 0.000 3.141 562 V HA 0.618 4.739 4.120 0.001 0.000 0.312 562 V C -0.906 175.108 176.094 -0.133 0.000 1.157 562 V CA -0.700 61.549 62.300 -0.085 0.000 1.041 562 V CB 2.567 34.347 31.823 -0.073 0.000 1.071 562 V HN 0.445 nan 8.190 nan 0.000 0.441 563 V N 2.340 122.137 119.914 -0.195 0.000 2.525 563 V HA 0.608 4.728 4.120 0.001 0.000 0.299 563 V C -0.347 175.356 176.094 -0.653 0.000 1.034 563 V CA -0.587 61.502 62.300 -0.351 0.000 0.863 563 V CB 1.622 33.274 31.823 -0.285 0.000 0.999 563 V HN 0.898 nan 8.190 nan 0.000 0.423 564 K N 3.364 123.421 120.400 -0.570 0.000 2.480 564 K HA 0.490 4.811 4.320 0.001 0.000 0.258 564 K C -0.634 175.750 176.600 -0.360 0.000 0.990 564 K CA -0.814 55.162 56.287 -0.518 0.000 0.857 564 K CB 2.430 34.797 32.500 -0.221 0.000 1.384 564 K HN 0.602 nan 8.250 nan 0.000 0.446 565 N N -0.593 118.026 118.700 -0.135 0.000 2.285 565 N HA 0.173 4.913 4.740 0.001 0.000 0.262 565 N C 0.419 175.925 175.510 -0.007 0.000 1.299 565 N CA 0.806 53.871 53.050 0.025 0.000 0.930 565 N CB 1.118 39.700 38.487 0.159 0.000 1.157 565 N HN 0.782 nan 8.380 nan 0.000 0.532 566 G N -1.598 107.215 108.800 0.022 0.000 2.682 566 G HA2 0.158 4.118 3.960 0.001 0.000 0.200 566 G HA3 0.158 4.118 3.960 0.001 0.000 0.200 566 G C 0.129 175.043 174.900 0.023 0.000 1.179 566 G CA 0.145 45.248 45.100 0.005 0.000 0.718 566 G HN 0.590 nan 8.290 nan 0.000 0.685 567 G N 1.254 110.078 108.800 0.039 0.000 2.696 567 G HA2 0.457 4.417 3.960 0.001 0.000 0.329 567 G HA3 0.457 4.417 3.960 0.001 0.000 0.329 567 G C -0.170 174.778 174.900 0.079 0.000 0.973 567 G CA -0.405 44.724 45.100 0.047 0.000 1.257 567 G HN 0.335 nan 8.290 nan 0.000 0.456 568 K N 2.106 122.550 120.400 0.073 0.000 2.524 568 K HA 0.088 4.408 4.320 0.001 0.000 0.279 568 K C 0.062 176.719 176.600 0.095 0.000 0.993 568 K CA 0.730 57.074 56.287 0.095 0.000 1.030 568 K CB 0.298 32.838 32.500 0.067 0.000 0.891 568 K HN 0.501 nan 8.250 nan 0.000 0.488 569 E N 2.790 123.062 120.200 0.121 0.000 2.356 569 E HA 0.112 4.462 4.350 0.001 0.000 0.275 569 E C -0.788 175.792 176.600 -0.032 0.000 0.904 569 E CA -0.943 55.489 56.400 0.052 0.000 0.757 569 E CB 1.709 31.457 29.700 0.079 0.000 1.232 569 E HN 0.762 nan 8.360 nan 0.000 0.442 570 E N 1.400 121.558 120.200 -0.070 0.000 2.973 570 E HA -0.032 4.319 4.350 0.001 0.000 0.279 570 E C 0.279 176.759 176.600 -0.201 0.000 1.473 570 E CA 0.080 56.430 56.400 -0.084 0.000 1.251 570 E CB 0.520 30.201 29.700 -0.033 0.000 1.063 570 E HN 0.283 nan 8.360 nan 0.000 0.685 571 K N 0.778 121.074 120.400 -0.173 0.000 2.878 571 K HA -0.049 4.271 4.320 0.001 0.000 0.242 571 K C -0.848 175.525 176.600 -0.378 0.000 0.985 571 K CA 0.358 56.505 56.287 -0.234 0.000 1.168 571 K CB -0.293 32.080 32.500 -0.211 0.000 0.993 571 K HN 0.258 nan 8.250 nan 0.000 0.476 572 H N -0.003 118.944 119.070 -0.206 0.000 3.172 572 H HA 0.213 4.769 4.556 0.001 0.000 0.322 572 H C -1.302 173.905 175.328 -0.201 0.000 1.003 572 H CA -0.627 55.351 56.048 -0.117 0.000 1.466 572 H CB 0.618 30.358 29.762 -0.037 0.000 1.673 572 H HN 0.247 nan 8.280 nan 0.000 0.512 573 H N 1.033 120.242 119.070 0.232 0.000 2.569 573 H HA 0.394 4.951 4.556 0.001 0.000 0.357 573 H C 0.207 175.645 175.328 0.184 0.000 1.153 573 H CA -0.828 55.337 56.048 0.194 0.000 1.193 573 H CB 2.296 32.170 29.762 0.186 0.000 1.602 573 H HN 0.321 nan 8.280 nan 0.000 0.523 574 R N 3.848 124.531 120.500 0.306 0.000 2.221 574 R HA 0.238 4.579 4.340 0.001 0.000 0.327 574 R C -2.529 173.883 176.300 0.187 0.000 1.033 574 R CA -1.881 54.341 56.100 0.202 0.000 0.887 574 R CB 0.519 30.919 30.300 0.167 0.000 1.057 574 R HN 0.434 nan 8.270 nan 0.000 0.455 575 P HA -0.128 nan 4.420 nan 0.000 0.271 575 P C 0.417 177.794 177.300 0.128 0.000 1.212 575 P CA 1.283 64.472 63.100 0.149 0.000 0.788 575 P CB 0.424 32.203 31.700 0.132 0.000 0.865 576 G N -0.345 108.518 108.800 0.105 0.000 2.366 576 G HA2 -0.369 3.591 3.960 0.001 0.000 0.263 576 G HA3 -0.369 3.591 3.960 0.001 0.000 0.263 576 G C 0.492 175.495 174.900 0.172 0.000 0.986 576 G CA 0.892 46.050 45.100 0.096 0.000 0.632 576 G HN 0.834 nan 8.290 nan 0.000 0.555 577 Q N 0.813 120.719 119.800 0.178 0.000 2.333 577 Q HA 0.189 4.529 4.340 0.001 0.000 0.299 577 Q C 0.575 176.699 176.000 0.206 0.000 1.067 577 Q CA 0.344 56.269 55.803 0.204 0.000 0.943 577 Q CB 0.266 29.125 28.738 0.201 0.000 1.233 577 Q HN 0.640 nan 8.270 nan 0.000 0.401 578 Q N 3.288 123.200 119.800 0.187 0.000 2.306 578 Q HA 0.509 4.850 4.340 0.001 0.000 0.241 578 Q C -1.081 174.902 176.000 -0.028 0.000 0.948 578 Q CA -0.254 55.519 55.803 -0.051 0.000 0.886 578 Q CB 0.804 29.340 28.738 -0.337 0.000 1.227 578 Q HN 0.690 nan 8.270 nan 0.000 0.457 579 I N 1.626 122.149 120.570 -0.080 0.000 2.692 579 I HA 0.176 4.346 4.170 0.001 0.000 0.293 579 I C -0.612 175.476 176.117 -0.047 0.000 1.200 579 I CA -0.635 60.658 61.300 -0.012 0.000 1.036 579 I CB 2.581 40.596 38.000 0.026 0.000 1.258 579 I HN 0.608 nan 8.210 nan 0.000 0.421 580 T N 6.283 120.822 114.554 -0.024 0.000 2.907 580 T HA 0.724 5.075 4.350 0.001 0.000 0.284 580 T C -0.882 173.810 174.700 -0.014 0.000 1.004 580 T CA -0.286 61.791 62.100 -0.037 0.000 1.063 580 T CB 0.627 69.474 68.868 -0.034 0.000 0.992 580 T HN 0.352 nan 8.240 nan 0.000 0.483 581 L N 3.675 124.877 121.223 -0.036 0.000 2.365 581 L HA 0.567 4.908 4.340 0.001 0.000 0.273 581 L C -0.247 176.572 176.870 -0.085 0.000 1.000 581 L CA -1.038 53.769 54.840 -0.056 0.000 0.819 581 L CB 2.150 44.178 42.059 -0.051 0.000 1.284 581 L HN 0.562 nan 8.230 nan 0.000 0.418 582 K N 3.613 123.939 120.400 -0.123 0.000 2.211 582 K HA 0.621 4.941 4.320 0.001 0.000 0.275 582 K C -1.085 175.427 176.600 -0.146 0.000 1.024 582 K CA -0.234 55.983 56.287 -0.116 0.000 0.887 582 K CB 0.820 33.255 32.500 -0.109 0.000 1.084 582 K HN 0.472 nan 8.250 nan 0.000 0.463 583 I N 4.375 124.879 120.570 -0.111 0.000 2.437 583 I HA 0.200 4.370 4.170 0.001 0.000 0.279 583 I C -0.723 175.342 176.117 -0.088 0.000 1.028 583 I CA -0.625 60.609 61.300 -0.110 0.000 1.142 583 I CB 1.665 39.608 38.000 -0.095 0.000 1.266 583 I HN 0.533 nan 8.210 nan 0.000 0.461 584 E N 5.606 125.753 120.200 -0.089 0.000 2.146 584 E HA 0.757 5.107 4.350 0.001 0.000 0.282 584 E C -0.406 176.155 176.600 -0.065 0.000 0.989 584 E CA -0.419 55.940 56.400 -0.069 0.000 0.799 584 E CB 1.937 31.598 29.700 -0.065 0.000 1.088 584 E HN 0.702 nan 8.360 nan 0.000 0.397 585 A N 3.387 126.173 122.820 -0.057 0.000 2.588 585 A HA 0.454 4.774 4.320 0.001 0.000 0.290 585 A C -1.181 176.375 177.584 -0.047 0.000 1.136 585 A CA -0.998 51.005 52.037 -0.056 0.000 0.681 585 A CB 0.989 19.950 19.000 -0.065 0.000 1.282 585 A HN 0.552 nan 8.150 nan 0.000 0.421 586 D N 0.641 121.014 120.400 -0.045 0.000 2.369 586 D HA 0.343 4.983 4.640 0.001 0.000 0.241 586 D C 0.512 176.790 176.300 -0.037 0.000 1.271 586 D CA 0.143 54.121 54.000 -0.037 0.000 0.942 586 D CB 0.301 41.080 40.800 -0.035 0.000 1.129 586 D HN 0.604 nan 8.370 nan 0.000 0.476 587 Q N -0.256 119.524 119.800 -0.033 0.000 2.394 587 Q HA 0.257 4.598 4.340 0.001 0.000 0.248 587 Q C 0.936 176.913 176.000 -0.038 0.000 0.992 587 Q CA 0.207 55.990 55.803 -0.033 0.000 0.888 587 Q CB 0.536 29.256 28.738 -0.030 0.000 1.257 587 Q HN 0.691 nan 8.270 nan 0.000 0.462 588 G N 1.606 110.382 108.800 -0.039 0.000 2.256 588 G HA2 -0.349 3.612 3.960 0.001 0.000 0.279 588 G HA3 -0.349 3.612 3.960 0.001 0.000 0.279 588 G C 0.244 175.118 174.900 -0.043 0.000 0.998 588 G CA 0.524 45.597 45.100 -0.044 0.000 0.720 588 G HN 0.923 nan 8.290 nan 0.000 0.521 589 A N -0.546 122.249 122.820 -0.041 0.000 2.366 589 A HA 0.724 5.045 4.320 0.001 0.000 0.249 589 A C 0.664 178.226 177.584 -0.036 0.000 1.084 589 A CA -0.106 51.905 52.037 -0.043 0.000 0.794 589 A CB 0.433 19.401 19.000 -0.054 0.000 1.034 589 A HN 0.335 nan 8.150 nan 0.000 0.491 590 R N 1.039 121.520 120.500 -0.032 0.000 2.360 590 R HA 0.462 4.803 4.340 0.001 0.000 0.318 590 R C -1.024 175.247 176.300 -0.049 0.000 0.950 590 R CA -0.535 55.552 56.100 -0.022 0.000 0.837 590 R CB 0.706 31.016 30.300 0.016 0.000 1.165 590 R HN 0.427 nan 8.270 nan 0.000 0.458 591 V N 0.848 120.722 119.914 -0.065 0.000 2.743 591 V HA 0.620 4.740 4.120 0.001 0.000 0.301 591 V C 0.981 177.015 176.094 -0.101 0.000 1.057 591 V CA -0.925 61.322 62.300 -0.089 0.000 1.006 591 V CB 1.885 33.652 31.823 -0.093 0.000 1.024 591 V HN 0.826 nan 8.190 nan 0.000 0.473 592 G N 3.507 112.245 108.800 -0.103 0.000 2.415 592 G HA2 0.636 4.597 3.960 0.001 0.000 0.317 592 G HA3 0.636 4.597 3.960 0.001 0.000 0.317 592 G C -0.875 173.927 174.900 -0.164 0.000 1.152 592 G CA -0.467 44.554 45.100 -0.132 0.000 0.956 592 G HN 0.552 nan 8.290 nan 0.000 0.458 593 L N 2.209 123.300 121.223 -0.220 0.000 2.317 593 L HA 0.720 5.060 4.340 0.001 0.000 0.281 593 L C -0.568 176.202 176.870 -0.167 0.000 1.024 593 L CA -1.138 53.593 54.840 -0.183 0.000 0.810 593 L CB 2.163 44.120 42.059 -0.170 0.000 1.240 593 L HN 0.171 nan 8.230 nan 0.000 0.427 594 V N 1.809 121.633 119.914 -0.149 0.000 2.671 594 V HA 0.386 4.506 4.120 0.001 0.000 0.292 594 V C -0.122 175.798 176.094 -0.290 0.000 1.115 594 V CA -0.668 61.570 62.300 -0.103 0.000 0.918 594 V CB 1.672 33.537 31.823 0.070 0.000 1.036 594 V HN 0.851 nan 8.190 nan 0.000 0.445 595 A N 4.742 127.218 122.820 -0.574 0.000 2.302 595 A HA 0.815 5.135 4.320 0.001 0.000 0.295 595 A C -0.385 176.892 177.584 -0.512 0.000 1.235 595 A CA -0.247 51.269 52.037 -0.869 0.000 0.876 595 A CB 0.686 18.369 19.000 -2.195 0.000 1.133 595 A HN 0.805 nan 8.150 nan 0.000 0.533 596 V N 2.946 122.782 119.914 -0.131 0.000 2.823 596 V HA 0.275 4.396 4.120 0.001 0.000 0.312 596 V C 0.071 176.466 176.094 0.501 0.000 1.072 596 V CA -0.940 61.436 62.300 0.126 0.000 0.937 596 V CB 1.980 33.726 31.823 -0.129 0.000 1.013 596 V HN 0.995 nan 8.190 nan 0.000 0.430 597 D N 2.242 122.965 120.400 0.539 0.000 2.414 597 D HA 0.055 4.696 4.640 0.001 0.000 0.242 597 D C 0.793 177.159 176.300 0.110 0.000 1.129 597 D CA -0.087 54.036 54.000 0.205 0.000 0.885 597 D CB 1.230 42.084 40.800 0.090 0.000 1.198 597 D HN 0.612 nan 8.370 nan 0.000 0.437 598 K N 2.315 122.759 120.400 0.074 0.000 2.097 598 K HA -0.084 4.236 4.320 0.001 0.000 0.205 598 K C 1.854 178.484 176.600 0.050 0.000 1.050 598 K CA 1.102 57.470 56.287 0.135 0.000 0.938 598 K CB -0.331 32.223 32.500 0.091 0.000 0.718 598 K HN 0.612 nan 8.250 nan 0.000 0.442 599 G N 0.571 109.368 108.800 -0.004 0.000 2.469 599 G HA2 -0.221 3.740 3.960 0.001 0.000 0.220 599 G HA3 -0.221 3.740 3.960 0.001 0.000 0.220 599 G C 1.391 176.019 174.900 -0.452 0.000 1.136 599 G CA 1.248 46.324 45.100 -0.041 0.000 0.759 599 G HN 0.206 nan 8.290 nan 0.000 0.562 600 V N 0.251 119.746 119.914 -0.699 0.000 2.256 600 V HA 0.018 4.139 4.120 0.001 0.000 0.240 600 V C 2.271 178.218 176.094 -0.245 0.000 1.036 600 V CA 1.111 62.912 62.300 -0.832 0.000 1.008 600 V CB -1.084 30.357 31.823 -0.637 0.000 0.648 600 V HN 0.228 nan 8.190 nan 0.000 0.453 601 F N 1.701 121.504 119.950 -0.246 0.000 2.060 601 F HA -0.323 4.205 4.527 0.001 0.000 0.293 601 F C 2.244 177.980 175.800 -0.108 0.000 1.096 601 F CA 2.224 60.148 58.000 -0.126 0.000 1.241 601 F CB -0.997 37.962 39.000 -0.068 0.000 0.959 601 F HN 0.024 nan 8.300 nan 0.000 0.499 602 V N -0.016 119.889 119.914 -0.016 0.000 2.759 602 V HA -0.221 3.900 4.120 0.001 0.000 0.256 602 V C 2.285 178.327 176.094 -0.086 0.000 1.080 602 V CA 1.126 63.345 62.300 -0.135 0.000 1.101 602 V CB -0.830 30.926 31.823 -0.112 0.000 0.698 602 V HN 0.350 nan 8.190 nan 0.000 0.477 603 L N 0.613 121.782 121.223 -0.090 0.000 1.924 603 L HA -0.114 4.226 4.340 0.001 0.000 0.222 603 L C 1.321 178.179 176.870 -0.021 0.000 1.081 603 L CA 2.043 56.840 54.840 -0.071 0.000 0.780 603 L CB -0.444 41.527 42.059 -0.145 0.000 0.891 603 L HN 0.364 nan 8.230 nan 0.000 0.434 604 N N -0.812 117.886 118.700 -0.004 0.000 2.898 604 N HA 0.111 4.851 4.740 0.001 0.000 0.245 604 N C 0.506 176.045 175.510 0.047 0.000 1.185 604 N CA -0.107 52.962 53.050 0.031 0.000 0.879 604 N CB 0.763 39.283 38.487 0.054 0.000 1.157 604 N HN 0.225 nan 8.380 nan 0.000 0.503 605 K N 1.300 121.719 120.400 0.032 0.000 2.097 605 K HA -0.169 4.151 4.320 0.001 0.000 0.206 605 K C 1.681 178.321 176.600 0.068 0.000 1.049 605 K CA 1.201 57.512 56.287 0.040 0.000 0.933 605 K CB -0.005 32.494 32.500 -0.002 0.000 0.717 605 K HN 0.451 nan 8.250 nan 0.000 0.442 606 K N 0.836 121.277 120.400 0.069 0.000 2.228 606 K HA -0.153 4.168 4.320 0.001 0.000 0.205 606 K C 0.855 177.519 176.600 0.105 0.000 1.045 606 K CA 1.669 58.005 56.287 0.083 0.000 0.931 606 K CB -0.374 32.173 32.500 0.079 0.000 0.727 606 K HN 0.099 nan 8.250 nan 0.000 0.458 607 N N 1.738 120.509 118.700 0.118 0.000 2.398 607 N HA -0.014 4.726 4.740 0.001 0.000 0.188 607 N C -0.343 175.261 175.510 0.157 0.000 1.122 607 N CA 0.412 53.550 53.050 0.148 0.000 0.866 607 N CB 0.289 38.879 38.487 0.171 0.000 0.970 607 N HN 0.500 nan 8.380 nan 0.000 0.462 608 K N 0.351 120.839 120.400 0.148 0.000 2.159 608 K HA 0.328 4.648 4.320 0.001 0.000 0.266 608 K C -0.262 176.429 176.600 0.151 0.000 0.975 608 K CA -0.618 55.772 56.287 0.170 0.000 0.865 608 K CB 1.678 34.314 32.500 0.228 0.000 1.087 608 K HN -0.150 nan 8.250 nan 0.000 0.446 609 L N 2.386 123.698 121.223 0.147 0.000 2.380 609 L HA 0.198 4.539 4.340 0.001 0.000 0.273 609 L C -0.024 176.886 176.870 0.066 0.000 1.138 609 L CA 0.181 55.083 54.840 0.103 0.000 0.832 609 L CB 1.498 43.618 42.059 0.102 0.000 1.124 609 L HN 0.926 nan 8.230 nan 0.000 0.454 610 T N 1.759 116.317 114.554 0.007 0.000 2.933 610 T HA 0.147 4.498 4.350 0.001 0.000 0.305 610 T C 0.501 175.118 174.700 -0.138 0.000 1.092 610 T CA -0.543 61.542 62.100 -0.025 0.000 1.008 610 T CB 1.776 70.652 68.868 0.014 0.000 1.102 610 T HN 0.602 nan 8.240 nan 0.000 0.469 611 Q N 2.045 121.724 119.800 -0.202 0.000 2.096 611 Q HA -0.123 4.217 4.340 0.001 0.000 0.204 611 Q C 2.104 177.853 176.000 -0.418 0.000 0.982 611 Q CA 1.490 57.039 55.803 -0.423 0.000 0.850 611 Q CB -0.165 28.371 28.738 -0.337 0.000 0.901 611 Q HN 0.672 nan 8.270 nan 0.000 0.422 612 R N 0.748 121.188 120.500 -0.100 0.000 2.139 612 R HA -0.162 4.178 4.340 0.001 0.000 0.243 612 R C 1.891 178.228 176.300 0.062 0.000 1.145 612 R CA 1.478 57.627 56.100 0.082 0.000 0.976 612 R CB 0.131 30.488 30.300 0.096 0.000 0.866 612 R HN 0.124 nan 8.270 nan 0.000 0.449 613 K N 0.222 120.610 120.400 -0.019 0.000 2.137 613 K HA -0.045 4.275 4.320 0.001 0.000 0.202 613 K C 2.114 178.720 176.600 0.010 0.000 1.052 613 K CA 1.336 57.639 56.287 0.027 0.000 0.961 613 K CB -0.111 32.414 32.500 0.041 0.000 0.741 613 K HN 0.341 nan 8.250 nan 0.000 0.452 614 I N -2.252 118.203 120.570 -0.192 0.000 2.493 614 I HA -0.148 4.022 4.170 0.001 0.000 0.254 614 I C 1.665 177.714 176.117 -0.114 0.000 1.160 614 I CA 1.018 62.158 61.300 -0.266 0.000 1.445 614 I CB -0.389 37.071 38.000 -0.901 0.000 1.086 614 I HN 0.190 nan 8.210 nan 0.000 0.433 615 W N 2.065 123.361 121.300 -0.007 0.000 2.380 615 W HA -0.133 4.528 4.660 0.001 0.000 0.317 615 W C 2.248 178.811 176.519 0.072 0.000 1.196 615 W CA 0.353 57.714 57.345 0.027 0.000 1.307 615 W CB -0.385 29.090 29.460 0.025 0.000 1.157 615 W HN 0.095 nan 8.180 nan 0.000 0.483 616 D N 0.483 121.078 120.400 0.325 0.000 2.369 616 D HA -0.170 4.470 4.640 0.001 0.000 0.213 616 D C 1.912 178.341 176.300 0.215 0.000 0.982 616 D CA 1.249 55.384 54.000 0.225 0.000 0.931 616 D CB -0.267 40.632 40.800 0.166 0.000 0.889 616 D HN 0.109 nan 8.370 nan 0.000 0.487 617 V N 0.251 120.307 119.914 0.237 0.000 2.446 617 V HA -0.151 3.970 4.120 0.001 0.000 0.244 617 V C 2.492 178.756 176.094 0.283 0.000 1.039 617 V CA 0.958 63.398 62.300 0.233 0.000 1.045 617 V CB 0.032 31.987 31.823 0.219 0.000 0.681 617 V HN 0.075 nan 8.190 nan 0.000 0.459 618 V N -0.743 119.359 119.914 0.312 0.000 2.575 618 V HA -0.018 4.103 4.120 0.001 0.000 0.242 618 V C 2.239 178.500 176.094 0.278 0.000 1.045 618 V CA 1.282 63.801 62.300 0.366 0.000 1.065 618 V CB -0.508 31.549 31.823 0.390 0.000 0.717 618 V HN 0.548 nan 8.190 nan 0.000 0.467 619 E N 1.220 121.576 120.200 0.260 0.000 2.110 619 E HA -0.203 4.147 4.350 0.001 0.000 0.193 619 E C 1.572 178.261 176.600 0.149 0.000 0.988 619 E CA 1.136 57.652 56.400 0.193 0.000 0.804 619 E CB 0.045 29.866 29.700 0.201 0.000 0.745 619 E HN 0.554 nan 8.360 nan 0.000 0.458 620 K N -0.707 119.788 120.400 0.158 0.000 2.500 620 K HA 0.228 4.549 4.320 0.001 0.000 0.206 620 K C -0.408 176.270 176.600 0.131 0.000 1.034 620 K CA 0.207 56.561 56.287 0.112 0.000 1.179 620 K CB 1.179 33.743 32.500 0.106 0.000 0.884 620 K HN -0.004 nan 8.250 nan 0.000 0.493 621 A N 1.323 124.245 122.820 0.169 0.000 3.368 621 A HA 0.228 4.548 4.320 0.001 0.000 0.211 621 A C -1.340 176.365 177.584 0.200 0.000 1.004 621 A CA -0.588 51.562 52.037 0.189 0.000 1.059 621 A CB 0.378 19.533 19.000 0.260 0.000 1.298 621 A HN 0.042 nan 8.150 nan 0.000 0.613 622 D N 0.148 120.638 120.400 0.151 0.000 2.655 622 D HA 0.369 5.009 4.640 0.001 0.000 0.229 622 D C 0.411 176.774 176.300 0.106 0.000 1.229 622 D CA -0.306 53.782 54.000 0.147 0.000 0.807 622 D CB 1.808 42.699 40.800 0.152 0.000 1.514 622 D HN 0.579 nan 8.370 nan 0.000 0.444 623 I N -0.969 119.664 120.570 0.105 0.000 3.110 623 I HA 0.305 4.476 4.170 0.001 0.000 0.305 623 I C 0.683 176.847 176.117 0.078 0.000 1.232 623 I CA 0.442 61.795 61.300 0.088 0.000 1.431 623 I CB -0.199 37.856 38.000 0.092 0.000 1.320 623 I HN 0.502 nan 8.210 nan 0.000 0.583 624 G N 3.292 112.135 108.800 0.071 0.000 3.172 624 G HA2 -0.137 3.823 3.960 0.001 0.000 0.686 624 G HA3 -0.137 3.823 3.960 0.001 0.000 0.686 624 G C -0.528 174.393 174.900 0.035 0.000 1.009 624 G CA -0.387 44.751 45.100 0.062 0.000 0.787 624 G HN 1.067 nan 8.290 nan 0.000 0.559 625 c N 2.563 121.175 118.600 0.019 0.000 3.226 625 c HA 0.711 5.282 4.570 0.001 0.000 0.258 625 c C 0.938 174.996 174.090 -0.054 0.000 1.688 625 c CA 0.389 56.711 56.329 -0.012 0.000 1.774 625 c CB -1.278 41.237 42.510 0.010 0.000 3.167 625 c HN 1.390 nan 8.230 nan 0.000 0.509 626 T N -2.915 111.594 114.554 -0.075 0.000 2.853 626 T HA 0.473 4.824 4.350 0.001 0.000 0.311 626 T C -2.835 171.775 174.700 -0.150 0.000 1.307 626 T CA -0.718 61.305 62.100 -0.128 0.000 1.019 626 T CB 2.093 70.891 68.868 -0.116 0.000 1.264 626 T HN -0.178 nan 8.240 nan 0.000 0.497 627 P HA 0.300 nan 4.420 nan 0.000 0.268 627 P C 0.622 177.883 177.300 -0.065 0.000 1.248 627 P CA 0.189 63.199 63.100 -0.149 0.000 0.851 627 P CB 0.328 31.838 31.700 -0.317 0.000 1.238 628 G N 0.648 109.371 108.800 -0.128 0.000 2.547 628 G HA2 0.414 4.375 3.960 0.001 0.000 0.327 628 G HA3 0.414 4.375 3.960 0.001 0.000 0.327 628 G C 0.786 175.617 174.900 -0.116 0.000 1.118 628 G CA 0.539 45.568 45.100 -0.118 0.000 1.022 628 G HN 0.127 nan 8.290 nan 0.000 0.464 629 S N 2.326 118.014 115.700 -0.021 0.000 4.006 629 S HA -0.078 4.393 4.470 0.001 0.000 0.537 629 S C 1.370 176.015 174.600 0.076 0.000 0.960 629 S CA 1.635 59.845 58.200 0.018 0.000 3.417 629 S CB -1.305 61.924 63.200 0.049 0.000 2.317 629 S HN 2.668 nan 8.310 nan 0.000 0.469 630 G N -0.083 108.869 108.800 0.253 0.000 2.333 630 G HA2 0.395 4.355 3.960 0.001 0.000 0.330 630 G HA3 0.395 4.355 3.960 0.001 0.000 0.330 630 G C -1.111 174.242 174.900 0.755 0.000 1.465 630 G CA -0.405 45.009 45.100 0.522 0.000 0.996 630 G HN 0.680 nan 8.290 nan 0.000 0.655 631 R N 1.496 122.332 120.500 0.559 0.000 2.210 631 R HA 0.539 4.880 4.340 0.001 0.000 0.338 631 R C 0.465 176.893 176.300 0.213 0.000 1.062 631 R CA -0.007 56.176 56.100 0.137 0.000 0.902 631 R CB 0.109 30.236 30.300 -0.289 0.000 1.050 631 R HN 0.770 nan 8.270 nan 0.000 0.461 632 N N 1.085 119.895 118.700 0.184 0.000 6.535 632 N HA -0.289 4.452 4.740 0.001 0.000 0.409 632 N C 0.561 176.433 175.510 0.603 0.000 0.975 632 N CA 1.298 54.437 53.050 0.148 0.000 1.813 632 N CB -0.738 37.814 38.487 0.109 0.000 0.751 632 N HN 0.564 nan 8.380 nan 0.000 0.467 633 Y N -1.706 118.769 120.300 0.293 0.000 2.145 633 Y HA 0.200 4.750 4.550 0.001 0.000 0.286 633 Y C 2.161 178.339 175.900 0.464 0.000 1.145 633 Y CA 1.776 60.134 58.100 0.429 0.000 1.148 633 Y CB -1.592 37.065 38.460 0.329 0.000 0.981 633 Y HN 0.612 nan 8.280 nan 0.000 0.507 634 A N 1.487 124.339 122.820 0.053 0.000 1.883 634 A HA -0.082 4.239 4.320 0.001 0.000 0.217 634 A C 2.630 180.305 177.584 0.151 0.000 1.186 634 A CA 2.364 54.343 52.037 -0.097 0.000 0.624 634 A CB -1.615 17.282 19.000 -0.171 0.000 0.822 634 A HN 0.619 nan 8.150 nan 0.000 0.444 635 G N -0.677 108.253 108.800 0.218 0.000 2.433 635 G HA2 -0.118 3.843 3.960 0.001 0.000 0.216 635 G HA3 -0.118 3.843 3.960 0.001 0.000 0.216 635 G C 1.545 176.592 174.900 0.244 0.000 1.186 635 G CA 1.238 46.477 45.100 0.232 0.000 0.779 635 G HN 0.320 nan 8.290 nan 0.000 0.543 636 V N 0.456 120.530 119.914 0.266 0.000 2.282 636 V HA -0.192 3.929 4.120 0.001 0.000 0.249 636 V C 2.573 178.683 176.094 0.027 0.000 1.057 636 V CA 1.971 64.343 62.300 0.121 0.000 1.032 636 V CB -0.632 31.208 31.823 0.028 0.000 0.645 636 V HN 0.340 nan 8.190 nan 0.000 0.447 637 F N 0.999 121.012 119.950 0.104 0.000 2.084 637 F HA -0.204 4.324 4.527 0.001 0.000 0.296 637 F C 2.876 178.711 175.800 0.058 0.000 1.111 637 F CA 2.032 60.072 58.000 0.068 0.000 1.224 637 F CB -1.344 37.663 39.000 0.011 0.000 0.991 637 F HN 0.293 nan 8.300 nan 0.000 0.471 638 T N -2.459 112.243 114.554 0.246 0.000 2.759 638 T HA -0.222 4.129 4.350 0.001 0.000 0.269 638 T C 1.549 176.324 174.700 0.125 0.000 1.042 638 T CA 1.735 63.927 62.100 0.152 0.000 1.140 638 T CB -0.694 68.243 68.868 0.115 0.000 0.864 638 T HN 0.082 nan 8.240 nan 0.000 0.455 639 D N 2.198 122.671 120.400 0.122 0.000 2.221 639 D HA 0.062 4.702 4.640 0.001 0.000 0.204 639 D C 1.805 178.144 176.300 0.066 0.000 0.982 639 D CA 1.332 55.383 54.000 0.085 0.000 0.857 639 D CB -0.365 40.483 40.800 0.080 0.000 0.934 639 D HN 0.674 nan 8.370 nan 0.000 0.475 640 A N -1.126 121.741 122.820 0.079 0.000 2.535 640 A HA 0.553 4.874 4.320 0.001 0.000 0.273 640 A C 1.247 178.892 177.584 0.101 0.000 1.267 640 A CA 0.452 52.536 52.037 0.079 0.000 0.940 640 A CB 0.071 19.111 19.000 0.068 0.000 1.101 640 A HN 0.146 nan 8.150 nan 0.000 0.521 641 G N -0.361 108.505 108.800 0.110 0.000 2.203 641 G HA2 -0.152 3.808 3.960 0.001 0.000 0.231 641 G HA3 -0.152 3.808 3.960 0.001 0.000 0.231 641 G C -0.293 174.689 174.900 0.137 0.000 1.058 641 G CA 0.251 45.419 45.100 0.113 0.000 0.781 641 G HN 0.482 nan 8.290 nan 0.000 0.496 642 L N -0.003 121.327 121.223 0.179 0.000 2.323 642 L HA 0.949 5.290 4.340 0.001 0.000 0.265 642 L C 0.293 177.252 176.870 0.148 0.000 1.012 642 L CA -0.528 54.446 54.840 0.224 0.000 0.820 642 L CB 2.645 44.974 42.059 0.450 0.000 1.334 642 L HN 0.458 nan 8.230 nan 0.000 0.427 643 T N 0.070 114.655 114.554 0.052 0.000 3.483 643 T HA 0.642 4.993 4.350 0.001 0.000 0.329 643 T C -0.930 173.690 174.700 -0.134 0.000 1.014 643 T CA -0.666 61.399 62.100 -0.058 0.000 1.056 643 T CB 0.598 69.461 68.868 -0.009 0.000 1.090 643 T HN 0.343 nan 8.240 nan 0.000 0.460 644 L N 1.593 122.642 121.223 -0.290 0.000 2.257 644 L HA 0.857 5.198 4.340 0.001 0.000 0.257 644 L C -0.107 176.623 176.870 -0.234 0.000 1.033 644 L CA -1.173 53.495 54.840 -0.286 0.000 0.835 644 L CB 2.376 44.140 42.059 -0.492 0.000 1.398 644 L HN 0.679 nan 8.230 nan 0.000 0.429 645 K N -1.222 119.078 120.400 -0.165 0.000 2.250 645 K HA 0.774 5.095 4.320 0.001 0.000 0.261 645 K C -0.961 175.590 176.600 -0.081 0.000 1.047 645 K CA -0.190 56.032 56.287 -0.108 0.000 0.884 645 K CB 2.312 34.781 32.500 -0.053 0.000 1.476 645 K HN 0.709 nan 8.250 nan 0.000 0.445 646 T N -2.131 112.404 114.554 -0.032 0.000 2.644 646 T HA -0.066 4.285 4.350 0.001 0.000 0.197 646 T C 0.107 174.813 174.700 0.010 0.000 2.438 646 T CA 0.352 62.450 62.100 -0.004 0.000 0.984 646 T CB -1.035 67.809 68.868 -0.039 0.000 2.489 646 T HN 0.696 nan 8.240 nan 0.000 0.301 647 S N 0.199 115.911 115.700 0.020 0.000 2.414 647 S HA 0.196 4.667 4.470 0.001 0.000 0.227 647 S C 0.767 175.381 174.600 0.022 0.000 1.022 647 S CA 1.529 59.741 58.200 0.020 0.000 0.958 647 S CB -0.125 63.090 63.200 0.024 0.000 0.797 647 S HN 0.775 nan 8.310 nan 0.000 0.493 648 Q N 0.575 120.396 119.800 0.036 0.000 2.786 648 Q HA 0.627 4.968 4.340 0.001 0.000 0.240 648 Q C -0.515 175.548 176.000 0.106 0.000 0.928 648 Q CA -0.120 55.720 55.803 0.062 0.000 0.721 648 Q CB 1.077 29.849 28.738 0.056 0.000 1.318 648 Q HN 0.387 nan 8.270 nan 0.000 0.474 649 G N 1.481 110.324 108.800 0.072 0.000 2.685 649 G HA2 0.576 4.536 3.960 0.001 0.000 0.298 649 G HA3 0.576 4.536 3.960 0.001 0.000 0.298 649 G C -0.848 173.968 174.900 -0.140 0.000 1.277 649 G CA -0.871 44.245 45.100 0.026 0.000 0.986 649 G HN 0.815 nan 8.290 nan 0.000 0.487 650 L N -1.096 119.791 121.223 -0.560 0.000 2.573 650 L HA 0.238 4.578 4.340 0.001 0.000 0.290 650 L C 0.077 176.607 176.870 -0.566 0.000 1.247 650 L CA -0.023 54.139 54.840 -1.131 0.000 0.876 650 L CB 0.176 41.676 42.059 -0.932 0.000 1.123 650 L HN 0.290 nan 8.230 nan 0.000 0.505 651 E N 2.927 122.830 120.200 -0.494 0.000 2.159 651 E HA 0.064 4.414 4.350 0.001 0.000 0.272 651 E C 0.007 176.510 176.600 -0.161 0.000 1.138 651 E CA 0.500 56.770 56.400 -0.216 0.000 0.915 651 E CB 0.262 29.890 29.700 -0.120 0.000 1.028 651 E HN 0.725 nan 8.360 nan 0.000 0.423 652 T N 1.244 115.721 114.554 -0.127 0.000 3.316 652 T HA 0.189 4.540 4.350 0.001 0.000 0.341 652 T C 0.836 175.509 174.700 -0.044 0.000 1.397 652 T CA -0.745 61.307 62.100 -0.079 0.000 1.085 652 T CB 0.517 69.336 68.868 -0.082 0.000 1.160 652 T HN 0.026 nan 8.240 nan 0.000 0.694 653 Q N 2.171 121.957 119.800 -0.023 0.000 2.297 653 Q HA -0.175 4.166 4.340 0.001 0.000 0.208 653 Q C 1.741 177.742 176.000 0.001 0.000 0.981 653 Q CA 1.564 57.361 55.803 -0.009 0.000 0.876 653 Q CB -0.508 28.238 28.738 0.013 0.000 0.921 653 Q HN 1.034 nan 8.270 nan 0.000 0.446 654 Q N -0.118 119.699 119.800 0.028 0.000 2.436 654 Q HA -0.272 4.069 4.340 0.001 0.000 0.264 654 Q C -0.992 175.102 176.000 0.156 0.000 1.093 654 Q CA 0.545 56.395 55.803 0.078 0.000 0.994 654 Q CB -1.487 27.270 28.738 0.031 0.000 1.434 654 Q HN 0.226 nan 8.270 nan 0.000 0.520 655 R N 0.396 120.972 120.500 0.128 0.000 2.473 655 R HA 0.240 4.580 4.340 0.001 0.000 0.315 655 R C 1.276 177.708 176.300 0.220 0.000 0.972 655 R CA 0.794 56.995 56.100 0.168 0.000 1.047 655 R CB 0.255 30.620 30.300 0.109 0.000 0.932 655 R HN 0.453 nan 8.270 nan 0.000 0.411 656 A N 2.805 125.828 122.820 0.338 0.000 2.239 656 A HA -0.102 4.218 4.320 0.001 0.000 0.209 656 A C 0.779 178.443 177.584 0.133 0.000 1.171 656 A CA 0.039 52.210 52.037 0.223 0.000 0.768 656 A CB -0.254 18.834 19.000 0.147 0.000 0.790 656 A HN 0.700 nan 8.150 nan 0.000 0.478 657 D N 0.762 121.236 120.400 0.124 0.000 2.999 657 D HA -0.058 4.583 4.640 0.001 0.000 0.276 657 D C -1.284 175.040 176.300 0.040 0.000 1.481 657 D CA -0.578 53.460 54.000 0.064 0.000 1.095 657 D CB 0.396 41.234 40.800 0.062 0.000 1.165 657 D HN 0.134 nan 8.370 nan 0.000 0.599 658 P HA -0.250 nan 4.420 nan 0.000 0.226 658 P C 0.920 178.231 177.300 0.017 0.000 1.154 658 P CA 1.853 64.953 63.100 0.000 0.000 0.918 658 P CB 0.124 31.808 31.700 -0.028 0.000 0.790 659 Q N -2.292 117.519 119.800 0.018 0.000 3.079 659 Q HA 0.401 4.741 4.340 0.001 0.000 0.206 659 Q C -0.019 176.000 176.000 0.033 0.000 1.169 659 Q CA -0.131 55.688 55.803 0.027 0.000 0.340 659 Q CB 0.245 28.995 28.738 0.020 0.000 5.757 659 Q HN 0.073 nan 8.270 nan 0.000 0.307 660 c N -0.151 118.466 118.600 0.028 0.000 3.340 660 c HA 0.624 5.195 4.570 0.001 0.000 0.333 660 c C -2.466 171.640 174.090 0.026 0.000 1.464 660 c CA -0.963 55.385 56.329 0.031 0.000 1.337 660 c CB 1.393 43.920 42.510 0.028 0.000 1.740 660 c HN 0.675 nan 8.230 nan 0.000 0.450 661 P HA 0.363 nan 4.420 nan 0.000 0.267 661 P C -0.668 176.645 177.300 0.022 0.000 1.200 661 P CA 0.700 63.817 63.100 0.029 0.000 0.772 661 P CB 0.214 31.937 31.700 0.039 0.000 0.855 671 V N 1.659 121.620 119.914 0.079 0.000 0.673 671 V HA -0.372 3.749 4.120 0.001 0.000 0.092 671 V C 2.325 178.431 176.094 0.019 0.000 1.045 671 V CA 2.521 64.856 62.300 0.058 0.000 3.154 671 V CB -2.060 29.778 31.823 0.024 0.000 0.336 671 V HN 1.175 nan 8.190 nan 0.000 0.309 672 Q N 2.315 122.096 119.800 -0.032 0.000 2.443 672 Q HA -0.164 4.176 4.340 0.001 0.000 0.213 672 Q C 1.732 177.697 176.000 -0.058 0.000 0.982 672 Q CA 2.868 58.642 55.803 -0.048 0.000 0.894 672 Q CB -0.693 27.983 28.738 -0.105 0.000 0.947 672 Q HN 0.962 nan 8.270 nan 0.000 0.480 673 L N -1.024 120.154 121.223 -0.076 0.000 2.007 673 L HA 0.061 4.402 4.340 0.001 0.000 0.205 673 L C 2.673 179.552 176.870 0.014 0.000 1.073 673 L CA 1.421 56.234 54.840 -0.045 0.000 0.744 673 L CB -1.471 40.553 42.059 -0.060 0.000 0.898 673 L HN -0.062 nan 8.230 nan 0.000 0.435 674 M N -0.160 119.449 119.600 0.015 0.000 2.337 674 M HA -0.201 4.279 4.480 0.001 0.000 0.261 674 M C 2.089 178.413 176.300 0.040 0.000 1.067 674 M CA 1.504 56.818 55.300 0.024 0.000 1.074 674 M CB -0.545 32.071 32.600 0.027 0.000 1.395 674 M HN 0.448 nan 8.290 nan 0.000 0.431 675 E N 1.547 121.777 120.200 0.050 0.000 1.997 675 E HA -0.178 4.173 4.350 0.001 0.000 0.201 675 E C 1.582 178.225 176.600 0.071 0.000 1.011 675 E CA 1.809 58.247 56.400 0.063 0.000 0.847 675 E CB -0.053 29.694 29.700 0.078 0.000 0.787 675 E HN 0.356 nan 8.360 nan 0.000 0.472 676 K N -0.003 120.463 120.400 0.112 0.000 2.360 676 K HA -0.090 4.230 4.320 0.001 0.000 0.201 676 K C 2.240 178.953 176.600 0.189 0.000 1.046 676 K CA 0.657 57.047 56.287 0.170 0.000 0.940 676 K CB -0.099 32.552 32.500 0.252 0.000 0.748 676 K HN 0.024 nan 8.250 nan 0.000 0.465 677 R N 0.469 121.051 120.500 0.136 0.000 2.189 677 R HA 0.055 4.396 4.340 0.001 0.000 0.218 677 R C 1.757 178.096 176.300 0.065 0.000 1.074 677 R CA 1.059 57.229 56.100 0.116 0.000 0.991 677 R CB 0.090 30.429 30.300 0.065 0.000 0.883 677 R HN 0.296 nan 8.270 nan 0.000 0.457 678 M N -0.875 118.745 119.600 0.034 0.000 2.514 678 M HA 0.010 4.491 4.480 0.001 0.000 0.258 678 M C 0.824 177.109 176.300 -0.025 0.000 1.159 678 M CA 0.484 55.783 55.300 -0.002 0.000 1.116 678 M CB 0.256 32.839 32.600 -0.029 0.000 1.333 678 M HN -0.117 nan 8.290 nan 0.000 0.487 679 D N 1.046 121.435 120.400 -0.019 0.000 2.162 679 D HA -0.108 4.532 4.640 0.001 0.000 0.203 679 D C 1.862 178.129 176.300 -0.055 0.000 0.967 679 D CA 1.234 55.212 54.000 -0.038 0.000 0.840 679 D CB 0.029 40.829 40.800 0.000 0.000 0.972 679 D HN 0.144 nan 8.370 nan 0.000 0.482 680 K N 1.500 121.867 120.400 -0.056 0.000 2.076 680 K HA 0.056 4.376 4.320 0.001 0.000 0.204 680 K C 1.861 178.436 176.600 -0.041 0.000 1.051 680 K CA 1.248 57.441 56.287 -0.156 0.000 0.949 680 K CB -0.388 31.939 32.500 -0.288 0.000 0.726 680 K HN -0.046 nan 8.250 nan 0.000 0.443 681 A N 0.303 123.136 122.820 0.021 0.000 1.972 681 A HA -0.011 4.309 4.320 0.001 0.000 0.219 681 A C 2.357 179.981 177.584 0.067 0.000 1.169 681 A CA 1.750 53.831 52.037 0.074 0.000 0.635 681 A CB -1.343 17.685 19.000 0.048 0.000 0.810 681 A HN 0.489 nan 8.150 nan 0.000 0.446 682 G N -0.611 108.193 108.800 0.006 0.000 2.440 682 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 682 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 682 G C 1.495 176.373 174.900 -0.037 0.000 1.154 682 G CA 1.002 46.094 45.100 -0.013 0.000 0.767 682 G HN 0.653 nan 8.290 nan 0.000 0.552 683 Q N -0.943 118.796 119.800 -0.101 0.000 2.308 683 Q HA -0.085 4.255 4.340 0.001 0.000 0.209 683 Q C -0.005 175.796 176.000 -0.330 0.000 0.985 683 Q CA 0.656 56.315 55.803 -0.241 0.000 0.881 683 Q CB -0.109 28.407 28.738 -0.371 0.000 0.917 683 Q HN 0.602 nan 8.270 nan 0.000 0.443 684 Y N -0.268 120.013 120.300 -0.032 0.000 2.387 684 Y HA 0.263 4.813 4.550 0.001 0.000 0.330 684 Y C 0.367 176.260 175.900 -0.011 0.000 1.133 684 Y CA -0.843 57.246 58.100 -0.018 0.000 1.152 684 Y CB 1.585 40.036 38.460 -0.014 0.000 1.215 684 Y HN -0.132 nan 8.280 nan 0.000 0.466 685 S N 0.180 115.980 115.700 0.168 0.000 2.638 685 S HA 0.791 5.261 4.470 0.001 0.000 0.302 685 S C -0.027 174.620 174.600 0.079 0.000 1.096 685 S CA -0.236 58.018 58.200 0.090 0.000 0.953 685 S CB 1.446 64.677 63.200 0.051 0.000 1.107 685 S HN 1.274 nan 8.310 nan 0.000 0.503 686 S N 0.878 116.606 115.700 0.047 0.000 3.236 686 S HA -0.355 4.115 4.470 0.001 0.000 0.629 686 S C 0.501 175.113 174.600 0.021 0.000 2.873 686 S CA 1.343 59.560 58.200 0.029 0.000 3.603 686 S CB -2.168 61.048 63.200 0.027 0.000 0.287 686 S HN 0.900 nan 8.310 nan 0.000 1.458 687 D N 1.201 121.606 120.400 0.008 0.000 2.263 687 D HA 0.113 4.754 4.640 0.001 0.000 0.208 687 D C 1.682 177.976 176.300 -0.009 0.000 0.971 687 D CA 1.352 55.347 54.000 -0.008 0.000 0.867 687 D CB -0.311 40.480 40.800 -0.015 0.000 0.929 687 D HN 0.443 nan 8.370 nan 0.000 0.492 688 L N 0.097 121.326 121.223 0.010 0.000 2.551 688 L HA -0.003 4.338 4.340 0.001 0.000 0.228 688 L C 2.264 179.094 176.870 -0.066 0.000 1.153 688 L CA 0.351 55.178 54.840 -0.023 0.000 0.851 688 L CB -0.094 41.990 42.059 0.042 0.000 0.959 688 L HN 0.033 nan 8.230 nan 0.000 0.451 689 R N 0.388 120.896 120.500 0.015 0.000 2.210 689 R HA -0.068 4.273 4.340 0.001 0.000 0.203 689 R C 1.903 178.197 176.300 -0.010 0.000 1.010 689 R CA 0.613 56.735 56.100 0.036 0.000 1.008 689 R CB 0.241 30.587 30.300 0.077 0.000 0.923 689 R HN 0.287 nan 8.270 nan 0.000 0.469 690 K N -0.367 120.022 120.400 -0.019 0.000 2.155 690 K HA -0.041 4.279 4.320 0.001 0.000 0.203 690 K C 2.126 178.722 176.600 -0.007 0.000 1.052 690 K CA 1.140 57.417 56.287 -0.017 0.000 0.948 690 K CB 0.017 32.498 32.500 -0.031 0.000 0.728 690 K HN 0.180 nan 8.250 nan 0.000 0.448 691 c N 0.471 119.056 118.600 -0.025 0.000 2.442 691 c HA -0.185 4.385 4.570 0.001 0.000 0.279 691 c C 3.055 177.159 174.090 0.022 0.000 1.237 691 c CA 0.542 56.885 56.329 0.024 0.000 1.722 691 c CB -0.908 41.585 42.510 -0.028 0.000 2.056 691 c HN 0.711 nan 8.230 nan 0.000 0.469 692 c N 1.509 120.014 118.600 -0.158 0.000 2.413 692 c HA -0.153 4.417 4.570 0.001 0.000 0.276 692 c C 2.603 176.628 174.090 -0.108 0.000 1.236 692 c CA 1.746 57.947 56.329 -0.214 0.000 1.735 692 c CB -1.529 40.763 42.510 -0.363 0.000 2.031 692 c HN 0.645 nan 8.230 nan 0.000 0.474 693 E N 0.302 120.475 120.200 -0.046 0.000 2.038 693 E HA -0.228 4.123 4.350 0.001 0.000 0.195 693 E C 1.737 178.323 176.600 -0.025 0.000 1.000 693 E CA 1.791 58.179 56.400 -0.019 0.000 0.803 693 E CB -0.395 29.306 29.700 0.002 0.000 0.750 693 E HN 0.668 nan 8.360 nan 0.000 0.448 694 D N -0.241 120.170 120.400 0.018 0.000 2.311 694 D HA -0.099 4.541 4.640 0.001 0.000 0.212 694 D C 1.719 178.039 176.300 0.034 0.000 0.972 694 D CA 0.933 54.981 54.000 0.080 0.000 0.887 694 D CB -0.272 40.627 40.800 0.166 0.000 0.915 694 D HN 0.268 nan 8.370 nan 0.000 0.497 695 G N -0.412 108.228 108.800 -0.267 0.000 2.880 695 G HA2 -0.033 3.927 3.960 0.001 0.000 0.209 695 G HA3 -0.033 3.927 3.960 0.001 0.000 0.209 695 G C 1.280 175.915 174.900 -0.441 0.000 1.157 695 G CA -0.169 44.356 45.100 -0.958 0.000 0.779 695 G HN 0.201 nan 8.290 nan 0.000 0.539 696 M N 0.641 120.126 119.600 -0.191 0.000 2.419 696 M HA 0.301 4.781 4.480 0.001 0.000 0.252 696 M C 0.655 176.927 176.300 -0.047 0.000 1.143 696 M CA -0.047 55.200 55.300 -0.088 0.000 0.985 696 M CB 0.575 33.163 32.600 -0.020 0.000 1.489 696 M HN -0.006 nan 8.290 nan 0.000 0.484 697 R N 0.383 120.862 120.500 -0.034 0.000 2.553 697 R HA 0.389 4.729 4.340 0.001 0.000 0.263 697 R C -0.560 175.744 176.300 0.007 0.000 1.066 697 R CA -0.732 55.367 56.100 -0.002 0.000 1.135 697 R CB 0.549 30.866 30.300 0.028 0.000 1.148 697 R HN -0.027 nan 8.270 nan 0.000 0.558 698 D N -0.079 120.322 120.400 0.003 0.000 2.329 698 D HA 0.018 4.658 4.640 0.001 0.000 0.246 698 D C -0.650 175.653 176.300 0.005 0.000 1.111 698 D CA -0.350 53.648 54.000 -0.004 0.000 0.941 698 D CB 0.769 41.556 40.800 -0.021 0.000 1.169 698 D HN 0.453 nan 8.370 nan 0.000 0.441 699 N N 2.563 121.248 118.700 -0.026 0.000 2.540 699 N HA 0.201 4.941 4.740 0.001 0.000 0.275 699 N C -2.220 173.177 175.510 -0.188 0.000 1.053 699 N CA -1.778 51.223 53.050 -0.082 0.000 0.876 699 N CB 2.019 40.481 38.487 -0.041 0.000 1.284 699 N HN 0.139 nan 8.380 nan 0.000 0.518 700 P HA -0.244 nan 4.420 nan 0.000 0.222 700 P C 1.491 178.612 177.300 -0.298 0.000 1.155 700 P CA 1.993 64.965 63.100 -0.213 0.000 0.890 700 P CB 0.095 31.678 31.700 -0.193 0.000 0.790 701 M N -4.130 115.173 119.600 -0.496 0.000 2.541 701 M HA 0.215 4.696 4.480 0.001 0.000 0.252 701 M C -0.004 176.014 176.300 -0.471 0.000 1.125 701 M CA 0.858 55.791 55.300 -0.613 0.000 1.091 701 M CB -0.529 31.370 32.600 -1.167 0.000 1.420 701 M HN -0.280 nan 8.290 nan 0.000 0.486 702 K N 1.574 121.773 120.400 -0.335 0.000 3.372 702 K HA -0.111 4.209 4.320 0.001 0.000 0.272 702 K C -1.196 175.416 176.600 0.020 0.000 1.037 702 K CA 0.324 56.537 56.287 -0.123 0.000 0.777 702 K CB -2.184 30.270 32.500 -0.077 0.000 1.347 702 K HN 0.218 nan 8.250 nan 0.000 0.460 703 F N 1.713 121.648 119.950 -0.025 0.000 2.456 703 F HA 0.216 4.744 4.527 0.001 0.000 0.358 703 F C -1.208 174.635 175.800 0.072 0.000 1.095 703 F CA -2.701 55.312 58.000 0.022 0.000 1.216 703 F CB 0.054 39.071 39.000 0.029 0.000 1.125 703 F HN 0.045 nan 8.300 nan 0.000 0.549 704 P HA -0.063 nan 4.420 nan 0.000 0.265 704 P C 0.776 178.202 177.300 0.209 0.000 1.187 704 P CA 0.075 63.281 63.100 0.176 0.000 0.766 704 P CB 0.569 32.342 31.700 0.122 0.000 0.820 705 c N 1.705 120.417 118.600 0.187 0.000 2.396 705 c HA -0.175 4.395 4.570 0.001 0.000 0.279 705 c C 2.752 177.015 174.090 0.288 0.000 1.229 705 c CA 1.094 57.573 56.329 0.249 0.000 1.801 705 c CB -1.342 41.261 42.510 0.154 0.000 2.050 705 c HN 0.618 nan 8.230 nan 0.000 0.491 706 Q N 0.075 119.985 119.800 0.183 0.000 2.123 706 Q HA -0.153 4.187 4.340 0.001 0.000 0.199 706 Q C 2.279 178.348 176.000 0.114 0.000 0.966 706 Q CA 1.092 56.977 55.803 0.137 0.000 0.845 706 Q CB -0.343 28.446 28.738 0.084 0.000 0.907 706 Q HN 0.625 nan 8.270 nan 0.000 0.439 707 R N 1.525 122.089 120.500 0.106 0.000 2.073 707 R HA -0.041 4.300 4.340 0.001 0.000 0.229 707 R C 2.177 178.590 176.300 0.189 0.000 1.120 707 R CA 1.251 57.375 56.100 0.039 0.000 0.967 707 R CB -0.029 30.183 30.300 -0.147 0.000 0.862 707 R HN 0.098 nan 8.270 nan 0.000 0.436 708 R N 0.083 120.764 120.500 0.301 0.000 2.081 708 R HA -0.046 4.295 4.340 0.001 0.000 0.235 708 R C 2.159 178.532 176.300 0.123 0.000 1.131 708 R CA 1.364 57.702 56.100 0.396 0.000 0.960 708 R CB -0.631 29.996 30.300 0.546 0.000 0.856 708 R HN 0.300 nan 8.270 nan 0.000 0.436 709 A N 1.431 124.256 122.820 0.010 0.000 2.178 709 A HA -0.178 4.143 4.320 0.001 0.000 0.218 709 A C 1.976 179.495 177.584 -0.108 0.000 1.157 709 A CA 1.047 52.950 52.037 -0.223 0.000 0.689 709 A CB -0.303 18.681 19.000 -0.026 0.000 0.787 709 A HN 0.374 nan 8.150 nan 0.000 0.465 710 Q N -1.530 118.275 119.800 0.008 0.000 2.172 710 Q HA -0.084 4.256 4.340 0.001 0.000 0.200 710 Q C 0.718 176.606 176.000 -0.187 0.000 0.964 710 Q CA 1.111 56.850 55.803 -0.107 0.000 0.855 710 Q CB -0.139 28.485 28.738 -0.190 0.000 0.918 710 Q HN 0.780 nan 8.270 nan 0.000 0.444 711 F N 0.187 120.041 119.950 -0.160 0.000 2.804 711 F HA 0.163 4.691 4.527 0.001 0.000 0.303 711 F C 0.704 176.358 175.800 -0.244 0.000 1.154 711 F CA 0.035 57.921 58.000 -0.190 0.000 1.401 711 F CB 0.075 38.907 39.000 -0.279 0.000 1.106 711 F HN -0.062 nan 8.300 nan 0.000 0.568 712 I N 1.090 121.589 120.570 -0.120 0.000 2.416 712 I HA -0.013 4.157 4.170 0.001 0.000 0.288 712 I C 0.541 176.594 176.117 -0.106 0.000 1.051 712 I CA -0.069 61.124 61.300 -0.178 0.000 1.375 712 I CB 1.229 39.059 38.000 -0.284 0.000 1.407 712 I HN 0.005 nan 8.210 nan 0.000 0.516 713 L N 5.976 127.154 121.223 -0.075 0.000 2.808 713 L HA 0.163 4.503 4.340 0.001 0.000 0.246 713 L C 1.381 178.236 176.870 -0.025 0.000 1.153 713 L CA 0.665 55.481 54.840 -0.040 0.000 0.956 713 L CB -0.088 41.963 42.059 -0.013 0.000 1.270 713 L HN 0.530 nan 8.230 nan 0.000 0.528 714 Q N 0.120 119.898 119.800 -0.037 0.000 2.403 714 Q HA 0.482 4.822 4.340 0.001 0.000 0.203 714 Q C 0.725 176.715 176.000 -0.017 0.000 0.932 714 Q CA 0.532 56.322 55.803 -0.022 0.000 0.945 714 Q CB 0.492 29.213 28.738 -0.028 0.000 1.045 714 Q HN 0.307 nan 8.270 nan 0.000 0.511 715 G N 0.041 108.827 108.800 -0.023 0.000 2.690 715 G HA2 -0.199 3.761 3.960 0.001 0.000 0.686 715 G HA3 -0.199 3.761 3.960 0.001 0.000 0.686 715 G C -0.161 174.731 174.900 -0.013 0.000 1.277 715 G CA -0.411 44.680 45.100 -0.015 0.000 0.799 715 G HN 0.112 nan 8.290 nan 0.000 0.613 716 D N 0.307 120.704 120.400 -0.006 0.000 2.370 716 D HA -0.346 4.295 4.640 0.001 0.000 0.190 716 D C 2.803 179.109 176.300 0.010 0.000 1.019 716 D CA 3.100 57.102 54.000 0.003 0.000 0.869 716 D CB -0.726 40.079 40.800 0.008 0.000 0.944 716 D HN 1.250 nan 8.370 nan 0.000 0.456 717 A N 0.802 123.629 122.820 0.013 0.000 1.884 717 A HA -0.283 4.038 4.320 0.001 0.000 0.219 717 A C 2.626 180.213 177.584 0.005 0.000 1.197 717 A CA 2.417 54.466 52.037 0.019 0.000 0.637 717 A CB -1.362 17.651 19.000 0.021 0.000 0.827 717 A HN 0.526 nan 8.150 nan 0.000 0.450 718 c N -0.909 117.686 118.600 -0.008 0.000 2.432 718 c HA 0.033 4.604 4.570 0.001 0.000 0.280 718 c C 2.648 176.738 174.090 0.000 0.000 1.353 718 c CA 1.169 57.485 56.329 -0.021 0.000 1.766 718 c CB -1.515 40.980 42.510 -0.025 0.000 1.924 718 c HN 0.404 nan 8.230 nan 0.000 0.509 719 V N 0.973 120.888 119.914 0.002 0.000 2.407 719 V HA -0.092 4.028 4.120 0.001 0.000 0.245 719 V C 2.723 178.873 176.094 0.094 0.000 1.041 719 V CA 1.549 63.863 62.300 0.023 0.000 1.040 719 V CB -0.692 31.124 31.823 -0.012 0.000 0.671 719 V HN 0.391 nan 8.190 nan 0.000 0.455 720 K N 0.734 121.169 120.400 0.058 0.000 2.063 720 K HA -0.134 4.186 4.320 0.001 0.000 0.208 720 K C 2.297 178.932 176.600 0.058 0.000 1.048 720 K CA 1.743 58.073 56.287 0.071 0.000 0.928 720 K CB -0.792 31.747 32.500 0.065 0.000 0.713 720 K HN 0.475 nan 8.250 nan 0.000 0.442 721 A N 0.872 123.670 122.820 -0.037 0.000 1.858 721 A HA -0.176 4.144 4.320 0.001 0.000 0.216 721 A C 2.137 179.644 177.584 -0.128 0.000 1.190 721 A CA 1.435 53.309 52.037 -0.271 0.000 0.617 721 A CB -0.928 17.638 19.000 -0.724 0.000 0.827 721 A HN 0.310 nan 8.150 nan 0.000 0.443 722 F N 0.554 120.406 119.950 -0.164 0.000 2.085 722 F HA -0.271 4.256 4.527 0.001 0.000 0.299 722 F C 1.902 177.693 175.800 -0.015 0.000 1.096 722 F CA 1.909 59.861 58.000 -0.079 0.000 1.227 722 F CB -0.233 38.740 39.000 -0.045 0.000 0.983 722 F HN 0.137 nan 8.300 nan 0.000 0.482 723 L N 0.619 122.002 121.223 0.266 0.000 1.994 723 L HA -0.240 4.100 4.340 0.001 0.000 0.208 723 L C 2.289 179.196 176.870 0.060 0.000 1.071 723 L CA 2.316 57.262 54.840 0.176 0.000 0.745 723 L CB -1.883 40.283 42.059 0.178 0.000 0.892 723 L HN 0.277 nan 8.230 nan 0.000 0.431 724 D N -0.589 119.856 120.400 0.074 0.000 2.156 724 D HA -0.241 4.399 4.640 0.001 0.000 0.190 724 D C 2.217 178.573 176.300 0.093 0.000 0.998 724 D CA 2.320 56.379 54.000 0.099 0.000 0.842 724 D CB -0.174 40.724 40.800 0.163 0.000 0.974 724 D HN 0.366 nan 8.370 nan 0.000 0.447 725 c N -0.313 118.312 118.600 0.041 0.000 2.422 725 c HA -0.079 4.492 4.570 0.001 0.000 0.279 725 c C 3.146 177.255 174.090 0.032 0.000 1.305 725 c CA 0.548 56.910 56.329 0.055 0.000 1.757 725 c CB -1.380 41.118 42.510 -0.020 0.000 1.962 725 c HN 0.640 nan 8.230 nan 0.000 0.499 726 c N 2.061 120.583 118.600 -0.131 0.000 2.462 726 c HA -0.107 4.463 4.570 0.001 0.000 0.278 726 c C 2.855 176.929 174.090 -0.027 0.000 1.253 726 c CA 1.686 57.908 56.329 -0.178 0.000 1.713 726 c CB -1.402 40.884 42.510 -0.373 0.000 2.049 726 c HN 0.745 nan 8.230 nan 0.000 0.477 727 E N -0.992 119.224 120.200 0.027 0.000 2.409 727 E HA -0.244 4.106 4.350 0.001 0.000 0.198 727 E C 1.751 178.398 176.600 0.077 0.000 1.024 727 E CA 1.187 57.619 56.400 0.054 0.000 0.861 727 E CB -0.595 29.148 29.700 0.071 0.000 0.788 727 E HN 0.844 nan 8.360 nan 0.000 0.521 728 Y N 2.818 123.113 120.300 -0.009 0.000 2.144 728 Y HA -0.110 4.441 4.550 0.001 0.000 0.272 728 Y C 2.101 178.003 175.900 0.003 0.000 1.092 728 Y CA 1.740 59.842 58.100 0.004 0.000 1.080 728 Y CB -0.493 37.975 38.460 0.013 0.000 1.003 728 Y HN 0.043 nan 8.280 nan 0.000 0.477 729 I N -0.377 120.028 120.570 -0.275 0.000 2.657 729 I HA -0.175 3.995 4.170 0.001 0.000 0.261 729 I C 1.975 177.981 176.117 -0.184 0.000 1.212 729 I CA 1.661 62.764 61.300 -0.328 0.000 1.453 729 I CB -1.981 35.968 38.000 -0.084 0.000 1.092 729 I HN 0.213 nan 8.210 nan 0.000 0.452 730 T N 1.465 115.955 114.554 -0.107 0.000 2.643 730 T HA -0.236 4.115 4.350 0.001 0.000 0.264 730 T C 1.820 176.476 174.700 -0.075 0.000 1.045 730 T CA 2.258 64.321 62.100 -0.062 0.000 1.155 730 T CB -0.360 68.495 68.868 -0.021 0.000 0.863 730 T HN 0.764 nan 8.240 nan 0.000 0.420 731 Q N 0.686 120.432 119.800 -0.090 0.000 2.083 731 Q HA 0.076 4.417 4.340 0.001 0.000 0.198 731 Q C 2.375 178.297 176.000 -0.130 0.000 0.969 731 Q CA 0.831 56.585 55.803 -0.083 0.000 0.838 731 Q CB -0.611 28.093 28.738 -0.056 0.000 0.900 731 Q HN 0.333 nan 8.270 nan 0.000 0.436 732 L N 0.876 121.954 121.223 -0.241 0.000 2.261 732 L HA -0.115 4.226 4.340 0.001 0.000 0.216 732 L C 2.327 179.113 176.870 -0.141 0.000 1.114 732 L CA 1.784 56.455 54.840 -0.281 0.000 0.777 732 L CB -0.477 41.219 42.059 -0.605 0.000 0.910 732 L HN 0.391 nan 8.230 nan 0.000 0.440 733 R N -0.430 120.009 120.500 -0.101 0.000 2.080 733 R HA -0.111 4.230 4.340 0.001 0.000 0.222 733 R C 2.038 178.336 176.300 -0.004 0.000 1.107 733 R CA 0.824 56.914 56.100 -0.017 0.000 0.980 733 R CB -0.020 30.262 30.300 -0.031 0.000 0.879 733 R HN 0.414 nan 8.270 nan 0.000 0.439 734 Q N -0.092 119.689 119.800 -0.031 0.000 2.541 734 Q HA -0.158 4.183 4.340 0.001 0.000 0.215 734 Q C 1.616 177.600 176.000 -0.027 0.000 0.977 734 Q CA 0.989 56.779 55.803 -0.021 0.000 0.934 734 Q CB 0.271 28.995 28.738 -0.023 0.000 0.988 734 Q HN 0.415 nan 8.270 nan 0.000 0.521 735 Q N -0.978 118.793 119.800 -0.049 0.000 2.388 735 Q HA -0.084 4.257 4.340 0.001 0.000 0.204 735 Q C 1.450 177.408 176.000 -0.071 0.000 0.946 735 Q CA 0.204 55.955 55.803 -0.086 0.000 0.880 735 Q CB 0.256 28.899 28.738 -0.158 0.000 0.997 735 Q HN 0.459 nan 8.270 nan 0.000 0.552 736 H N 0.472 119.522 119.070 -0.033 0.000 2.518 736 H HA -0.039 4.517 4.556 0.001 0.000 0.289 736 H C 2.151 177.470 175.328 -0.015 0.000 1.051 736 H CA 1.592 57.627 56.048 -0.021 0.000 1.280 736 H CB 0.356 30.104 29.762 -0.024 0.000 1.380 736 H HN 0.400 nan 8.280 nan 0.000 0.566 737 S N 0.543 116.299 115.700 0.092 0.000 2.483 737 S HA -0.042 4.429 4.470 0.001 0.000 0.221 737 S C 1.791 176.408 174.600 0.028 0.000 1.030 737 S CA -0.217 58.013 58.200 0.051 0.000 0.925 737 S CB 0.144 63.363 63.200 0.031 0.000 0.795 737 S HN 0.498 nan 8.310 nan 0.000 0.511 738 R N 0.678 121.186 120.500 0.014 0.000 2.363 738 R HA 0.305 4.645 4.340 0.001 0.000 0.236 738 R C -0.424 175.879 176.300 0.004 0.000 0.966 738 R CA 0.402 56.504 56.100 0.004 0.000 1.100 738 R CB -0.194 30.102 30.300 -0.007 0.000 1.125 738 R HN 0.217 nan 8.270 nan 0.000 0.514 739 D N -0.035 120.375 120.400 0.016 0.000 2.615 739 D HA 0.066 4.707 4.640 0.001 0.000 0.274 739 D C 0.018 176.343 176.300 0.041 0.000 1.512 739 D CA -0.014 53.998 54.000 0.020 0.000 0.803 739 D CB 1.228 42.032 40.800 0.008 0.000 1.182 739 D HN 0.413 nan 8.370 nan 0.000 0.473 740 G N 0.525 109.349 108.800 0.041 0.000 4.294 740 G HA2 0.486 4.446 3.960 0.001 0.000 0.301 740 G HA3 0.486 4.446 3.960 0.001 0.000 0.301 740 G C 0.703 175.618 174.900 0.026 0.000 1.321 740 G CA 0.213 45.337 45.100 0.041 0.000 1.190 740 G HN 0.198 nan 8.290 nan 0.000 0.600 741 A N -0.310 122.523 122.820 0.022 0.000 2.212 741 A HA 0.547 4.867 4.320 0.001 0.000 0.169 741 A C 0.768 178.360 177.584 0.015 0.000 1.802 741 A CA 0.216 52.263 52.037 0.016 0.000 1.344 741 A CB -0.028 18.980 19.000 0.012 0.000 1.566 741 A HN 0.651 nan 8.150 nan 0.000 0.419 751 D N 0.335 120.635 120.400 -0.166 0.000 2.808 751 D HA -0.232 4.408 4.640 0.001 0.000 0.220 751 D C -0.183 175.977 176.300 -0.232 0.000 1.215 751 D CA 0.572 54.474 54.000 -0.162 0.000 0.608 751 D CB -1.445 39.305 40.800 -0.083 0.000 1.005 751 D HN 0.203 nan 8.370 nan 0.000 0.403 752 D N -0.415 119.719 120.400 -0.444 0.000 2.488 752 D HA 0.028 4.669 4.640 0.001 0.000 0.260 752 D C 0.422 176.559 176.300 -0.272 0.000 1.273 752 D CA -0.075 53.672 54.000 -0.423 0.000 0.912 752 D CB -0.171 40.195 40.800 -0.722 0.000 0.982 752 D HN 0.514 nan 8.370 nan 0.000 0.492 753 I N 1.019 121.484 120.570 -0.175 0.000 2.270 753 I HA 0.142 4.312 4.170 0.001 0.000 0.300 753 I C -0.490 175.593 176.117 -0.057 0.000 1.186 753 I CA 0.170 61.418 61.300 -0.086 0.000 1.431 753 I CB -0.645 37.325 38.000 -0.051 0.000 1.485 753 I HN 0.015 nan 8.210 nan 0.000 0.650 754 I N 8.631 129.170 120.570 -0.052 0.000 2.864 754 I HA 0.254 4.424 4.170 0.001 0.000 0.328 754 I C -1.925 174.185 176.117 -0.011 0.000 1.436 754 I CA -0.545 60.739 61.300 -0.027 0.000 0.821 754 I CB 0.713 38.694 38.000 -0.032 0.000 2.121 754 I HN 0.308 nan 8.210 nan 0.000 0.582 755 P HA -0.006 nan 4.420 nan 0.000 0.257 755 P C 0.286 177.592 177.300 0.010 0.000 1.325 755 P CA 0.253 63.358 63.100 0.009 0.000 0.850 755 P CB 0.036 31.749 31.700 0.021 0.000 1.324 756 E N 1.133 121.338 120.200 0.008 0.000 2.170 756 E HA -0.274 4.077 4.350 0.001 0.000 0.214 756 E C -0.272 176.328 176.600 -0.000 0.000 1.344 756 E CA 1.075 57.480 56.400 0.009 0.000 0.714 756 E CB -2.354 27.359 29.700 0.020 0.000 1.112 756 E HN 0.269 nan 8.360 nan 0.000 0.350 757 E N -1.146 119.052 120.200 -0.004 0.000 3.244 757 E HA -0.300 4.051 4.350 0.001 0.000 0.275 757 E C 0.647 177.217 176.600 -0.049 0.000 0.964 757 E CA 2.002 58.386 56.400 -0.025 0.000 0.829 757 E CB -0.494 29.186 29.700 -0.034 0.000 1.418 757 E HN 0.700 nan 8.360 nan 0.000 0.467 758 D N -1.197 119.188 120.400 -0.025 0.000 2.932 758 D HA 0.149 4.790 4.640 0.001 0.000 0.294 758 D C 0.110 176.402 176.300 -0.013 0.000 1.119 758 D CA 0.477 54.462 54.000 -0.026 0.000 0.980 758 D CB 0.645 41.441 40.800 -0.006 0.000 1.361 758 D HN 0.002 nan 8.370 nan 0.000 0.466 759 I N 2.204 122.774 120.570 -0.000 0.000 7.634 759 I HA -0.240 3.930 4.170 0.001 0.000 0.126 759 I C -0.153 175.964 176.117 0.000 0.000 1.842 759 I CA -0.186 61.115 61.300 0.002 0.000 2.040 759 I CB -1.669 36.337 38.000 0.009 0.000 3.684 759 I HN 0.091 nan 8.210 nan 0.000 0.170 760 I N 6.593 127.162 120.570 -0.002 0.000 2.496 760 I HA 0.329 4.500 4.170 0.001 0.000 0.285 760 I C 0.902 177.007 176.117 -0.020 0.000 1.080 760 I CA 0.601 61.899 61.300 -0.004 0.000 1.404 760 I CB 1.103 39.102 38.000 -0.002 0.000 1.403 760 I HN 0.606 nan 8.210 nan 0.000 0.539 761 S N 6.491 122.184 115.700 -0.013 0.000 2.578 761 S HA 0.647 5.117 4.470 0.001 0.000 0.301 761 S C -0.076 174.503 174.600 -0.035 0.000 1.091 761 S CA -1.016 57.170 58.200 -0.023 0.000 1.032 761 S CB 1.265 64.468 63.200 0.005 0.000 1.064 761 S HN 0.763 nan 8.310 nan 0.000 0.508 762 R N 1.241 121.693 120.500 -0.080 0.000 2.640 762 R HA -0.118 4.222 4.340 0.001 0.000 0.255 762 R C 0.583 176.832 176.300 -0.084 0.000 0.882 762 R CA 1.444 57.448 56.100 -0.160 0.000 1.082 762 R CB -0.377 29.832 30.300 -0.152 0.000 0.883 762 R HN 1.105 nan 8.270 nan 0.000 0.421 763 S N 1.202 116.748 115.700 -0.256 0.000 2.998 763 S HA 0.100 4.570 4.470 0.001 0.000 0.256 763 S C -0.544 173.909 174.600 -0.245 0.000 0.970 763 S CA -0.518 57.652 58.200 -0.050 0.000 1.238 763 S CB 0.346 63.552 63.200 0.010 0.000 1.170 763 S HN 0.589 nan 8.310 nan 0.000 0.663 764 Q N 1.126 120.480 119.800 -0.744 0.000 2.413 764 Q HA 0.702 5.042 4.340 0.001 0.000 0.258 764 Q C -1.750 173.751 176.000 -0.832 0.000 1.037 764 Q CA -0.447 54.987 55.803 -0.615 0.000 0.764 764 Q CB 0.141 28.445 28.738 -0.724 0.000 1.217 764 Q HN 0.394 nan 8.270 nan 0.000 0.490 765 F N 3.261 123.166 119.950 -0.075 0.000 2.546 765 F HA 0.636 5.163 4.527 0.001 0.000 0.320 765 F C -1.783 174.025 175.800 0.013 0.000 1.076 765 F CA -2.649 55.319 58.000 -0.054 0.000 0.928 765 F CB 0.935 39.906 39.000 -0.049 0.000 1.189 765 F HN 0.438 nan 8.300 nan 0.000 0.465 766 P HA -0.076 nan 4.420 nan 0.000 0.269 766 P C -0.407 177.089 177.300 0.327 0.000 1.185 766 P CA 0.254 63.500 63.100 0.242 0.000 0.769 766 P CB 0.485 32.347 31.700 0.270 0.000 0.809 767 E N 0.880 121.245 120.200 0.276 0.000 2.383 767 E HA 0.116 4.466 4.350 0.001 0.000 0.264 767 E C -0.018 176.778 176.600 0.327 0.000 1.050 767 E CA 0.193 56.731 56.400 0.231 0.000 0.896 767 E CB 0.262 30.050 29.700 0.146 0.000 0.982 767 E HN 0.300 nan 8.360 nan 0.000 0.424 768 S N 3.494 119.338 115.700 0.239 0.000 2.548 768 S HA 0.334 4.804 4.470 0.001 0.000 0.277 768 S C 0.060 174.782 174.600 0.204 0.000 1.315 768 S CA -0.751 57.579 58.200 0.218 0.000 1.050 768 S CB 0.519 63.768 63.200 0.081 0.000 0.918 768 S HN 0.454 nan 8.310 nan 0.000 0.497 769 W N 1.559 122.755 121.300 -0.172 0.000 3.459 769 W HA 0.614 5.275 4.660 0.001 0.000 0.340 769 W C -0.233 176.237 176.519 -0.081 0.000 1.275 769 W CA -1.596 55.667 57.345 -0.136 0.000 0.985 769 W CB -0.738 28.594 29.460 -0.213 0.000 1.745 769 W HN 0.549 nan 8.180 nan 0.000 0.627 770 L N 1.104 122.384 121.223 0.095 0.000 3.843 770 L HA -0.216 4.124 4.340 0.001 0.000 0.411 770 L C -0.279 176.584 176.870 -0.012 0.000 1.205 770 L CA 0.052 54.809 54.840 -0.138 0.000 0.945 770 L CB -1.543 40.050 42.059 -0.776 0.000 1.929 770 L HN 0.604 nan 8.230 nan 0.000 0.934 771 W N 2.218 123.463 121.300 -0.091 0.000 2.422 771 W HA 0.565 5.226 4.660 0.001 0.000 0.349 771 W C 0.017 176.509 176.519 -0.045 0.000 1.062 771 W CA 0.424 57.725 57.345 -0.073 0.000 1.497 771 W CB 0.602 30.038 29.460 -0.040 0.000 1.407 771 W HN 0.374 nan 8.180 nan 0.000 0.393 772 T N 3.977 118.426 114.554 -0.175 0.000 2.889 772 T HA 0.322 4.673 4.350 0.001 0.000 0.315 772 T C -1.701 172.843 174.700 -0.260 0.000 1.291 772 T CA -0.448 61.537 62.100 -0.192 0.000 1.028 772 T CB 1.828 70.660 68.868 -0.060 0.000 1.235 772 T HN 0.102 nan 8.240 nan 0.000 0.491 773 V N 5.555 125.343 119.914 -0.210 0.000 2.427 773 V HA 0.591 4.711 4.120 0.001 0.000 0.286 773 V C -0.108 175.929 176.094 -0.094 0.000 1.034 773 V CA -0.775 61.425 62.300 -0.166 0.000 0.893 773 V CB 0.902 32.637 31.823 -0.147 0.000 0.982 773 V HN 0.799 nan 8.190 nan 0.000 0.452 774 I N 6.438 126.960 120.570 -0.080 0.000 2.342 774 I HA 0.335 4.506 4.170 0.001 0.000 0.291 774 I C 0.869 176.968 176.117 -0.031 0.000 1.010 774 I CA -0.309 60.959 61.300 -0.053 0.000 1.308 774 I CB 1.448 39.412 38.000 -0.060 0.000 1.400 774 I HN 0.683 nan 8.210 nan 0.000 0.488 775 E N 3.311 123.501 120.200 -0.016 0.000 2.048 775 E HA 0.059 4.409 4.350 0.001 0.000 0.193 775 E C -0.020 176.578 176.600 -0.003 0.000 0.956 775 E CA 0.669 57.070 56.400 0.003 0.000 0.846 775 E CB 0.184 29.894 29.700 0.017 0.000 0.827 775 E HN 0.519 nan 8.360 nan 0.000 0.466 776 D N 1.012 121.409 120.400 -0.006 0.000 2.317 776 D HA 0.228 4.869 4.640 0.001 0.000 0.252 776 D C -0.496 175.793 176.300 -0.019 0.000 1.174 776 D CA 0.086 54.080 54.000 -0.010 0.000 0.866 776 D CB 0.687 41.484 40.800 -0.006 0.000 1.127 776 D HN -0.011 nan 8.370 nan 0.000 0.467 777 L N 3.864 125.074 121.223 -0.023 0.000 2.462 777 L HA 0.206 4.546 4.340 0.001 0.000 0.255 777 L C 1.089 177.944 176.870 -0.025 0.000 1.076 777 L CA -0.436 54.388 54.840 -0.027 0.000 0.920 777 L CB 1.314 43.353 42.059 -0.033 0.000 1.214 777 L HN 0.128 nan 8.230 nan 0.000 0.472 778 K N 2.551 122.938 120.400 -0.021 0.000 3.386 778 K HA -0.135 4.185 4.320 0.001 0.000 0.290 778 K C 1.100 177.688 176.600 -0.020 0.000 0.745 778 K CA 0.530 56.805 56.287 -0.019 0.000 1.009 778 K CB -0.278 32.213 32.500 -0.015 0.000 1.031 778 K HN 0.659 nan 8.250 nan 0.000 0.406 779 Q N -1.574 118.213 119.800 -0.023 0.000 2.177 779 Q HA -0.353 3.987 4.340 0.001 0.000 0.174 779 Q C 0.873 176.860 176.000 -0.021 0.000 0.609 779 Q CA 1.313 57.102 55.803 -0.022 0.000 1.453 779 Q CB -1.666 27.059 28.738 -0.021 0.000 1.591 779 Q HN 0.597 nan 8.270 nan 0.000 0.818 780 A N -0.036 122.772 122.820 -0.020 0.000 2.222 780 A HA -0.289 4.031 4.320 0.001 0.000 0.223 780 A C 0.530 178.103 177.584 -0.018 0.000 1.359 780 A CA 2.490 54.515 52.037 -0.019 0.000 0.725 780 A CB -0.603 18.384 19.000 -0.021 0.000 0.847 780 A HN 0.726 nan 8.150 nan 0.000 0.532 781 D N -4.587 115.802 120.400 -0.018 0.000 2.655 781 D HA 0.472 5.113 4.640 0.001 0.000 0.229 781 D C 0.566 176.856 176.300 -0.016 0.000 1.229 781 D CA -0.593 53.397 54.000 -0.017 0.000 0.807 781 D CB 0.804 41.593 40.800 -0.019 0.000 1.514 781 D HN -0.052 nan 8.370 nan 0.000 0.444 782 K N 0.272 120.664 120.400 -0.014 0.000 2.217 782 K HA -0.002 4.319 4.320 0.001 0.000 0.202 782 K C 1.250 177.842 176.600 -0.013 0.000 1.051 782 K CA 0.281 56.560 56.287 -0.013 0.000 0.952 782 K CB 0.045 32.538 32.500 -0.012 0.000 0.736 782 K HN 0.295 nan 8.250 nan 0.000 0.453 783 N N 0.334 119.026 118.700 -0.014 0.000 2.521 783 N HA -0.087 4.653 4.740 0.001 0.000 0.188 783 N C 0.904 176.406 175.510 -0.015 0.000 1.146 783 N CA 0.994 54.036 53.050 -0.014 0.000 0.893 783 N CB 0.478 38.957 38.487 -0.015 0.000 0.975 783 N HN 0.377 nan 8.380 nan 0.000 0.451 784 G N 0.692 109.483 108.800 -0.016 0.000 2.284 784 G HA2 -0.266 3.695 3.960 0.001 0.000 0.247 784 G HA3 -0.266 3.695 3.960 0.001 0.000 0.247 784 G C 0.238 175.126 174.900 -0.021 0.000 1.012 784 G CA 0.052 45.141 45.100 -0.017 0.000 0.618 784 G HN 0.351 nan 8.290 nan 0.000 0.521 785 I N 2.679 123.236 120.570 -0.022 0.000 2.308 785 I HA 0.391 4.561 4.170 0.001 0.000 0.293 785 I C 0.823 176.923 176.117 -0.027 0.000 1.078 785 I CA 0.055 61.340 61.300 -0.026 0.000 1.292 785 I CB 1.254 39.238 38.000 -0.026 0.000 1.423 785 I HN 0.215 nan 8.210 nan 0.000 0.493 786 S N 5.288 120.970 115.700 -0.030 0.000 2.554 786 S HA 0.593 5.064 4.470 0.001 0.000 0.278 786 S C 0.008 174.586 174.600 -0.036 0.000 1.242 786 S CA -0.509 57.673 58.200 -0.031 0.000 1.051 786 S CB 0.915 64.097 63.200 -0.031 0.000 0.986 786 S HN 0.660 nan 8.310 nan 0.000 0.502 787 T N 1.460 115.994 114.554 -0.035 0.000 2.930 787 T HA 0.692 5.042 4.350 0.001 0.000 0.290 787 T C -0.938 173.739 174.700 -0.039 0.000 1.052 787 T CA -0.995 61.081 62.100 -0.040 0.000 1.017 787 T CB 1.543 70.387 68.868 -0.040 0.000 1.137 787 T HN 0.680 nan 8.240 nan 0.000 0.511 788 K N 1.331 121.704 120.400 -0.045 0.000 2.588 788 K HA 0.506 4.827 4.320 0.001 0.000 0.250 788 K C -1.568 175.003 176.600 -0.049 0.000 0.972 788 K CA -0.706 55.556 56.287 -0.042 0.000 0.821 788 K CB 1.429 33.904 32.500 -0.042 0.000 1.249 788 K HN 0.647 nan 8.250 nan 0.000 0.442 789 L N 4.442 125.640 121.223 -0.041 0.000 2.357 789 L HA 0.603 4.943 4.340 0.001 0.000 0.273 789 L C -0.177 176.668 176.870 -0.042 0.000 1.080 789 L CA -0.814 54.000 54.840 -0.044 0.000 0.803 789 L CB 1.613 43.650 42.059 -0.036 0.000 1.174 789 L HN 0.722 nan 8.230 nan 0.000 0.443 790 M N 2.860 122.431 119.600 -0.048 0.000 2.277 790 M HA 0.353 4.833 4.480 0.001 0.000 0.282 790 M C -1.743 174.523 176.300 -0.057 0.000 1.074 790 M CA -0.468 54.804 55.300 -0.046 0.000 0.954 790 M CB 2.019 34.592 32.600 -0.046 0.000 1.672 790 M HN 0.441 nan 8.290 nan 0.000 0.471 791 N N 3.147 121.803 118.700 -0.073 0.000 2.457 791 N HA 0.549 5.289 4.740 0.001 0.000 0.250 791 N C -1.341 174.056 175.510 -0.189 0.000 0.982 791 N CA -0.265 52.702 53.050 -0.138 0.000 0.941 791 N CB 1.718 40.107 38.487 -0.164 0.000 1.120 791 N HN 0.313 nan 8.380 nan 0.000 0.505 792 V N 1.972 121.786 119.914 -0.167 0.000 2.881 792 V HA 0.502 4.622 4.120 0.001 0.000 0.316 792 V C -0.462 175.510 176.094 -0.202 0.000 1.070 792 V CA -0.834 61.419 62.300 -0.078 0.000 0.976 792 V CB 1.231 33.123 31.823 0.115 0.000 1.038 792 V HN 0.408 nan 8.190 nan 0.000 0.446 793 F N 2.347 122.369 119.950 0.120 0.000 2.405 793 F HA 0.466 4.993 4.527 0.001 0.000 0.355 793 F C 0.450 176.251 175.800 0.002 0.000 1.121 793 F CA -0.308 57.729 58.000 0.061 0.000 1.112 793 F CB 1.183 40.197 39.000 0.024 0.000 1.126 793 F HN 0.324 nan 8.300 nan 0.000 0.481 794 L N 3.457 124.763 121.223 0.138 0.000 2.136 794 L HA 0.081 4.421 4.340 0.001 0.000 0.164 794 L C 0.001 176.655 176.870 -0.360 0.000 0.785 794 L CA 0.860 55.690 54.840 -0.017 0.000 1.155 794 L CB 0.085 42.226 42.059 0.136 0.000 1.300 794 L HN 0.405 nan 8.230 nan 0.000 0.449 795 K N -0.062 120.213 120.400 -0.207 0.000 2.508 795 K HA 0.249 4.569 4.320 0.001 0.000 0.260 795 K C -0.136 176.497 176.600 0.056 0.000 0.949 795 K CA -0.406 55.761 56.287 -0.199 0.000 0.834 795 K CB 1.450 33.758 32.500 -0.320 0.000 1.365 795 K HN 0.481 nan 8.250 nan 0.000 0.437 796 D N -0.114 120.312 120.400 0.044 0.000 2.363 796 D HA -0.065 4.575 4.640 0.001 0.000 0.220 796 D C 0.735 177.116 176.300 0.135 0.000 0.994 796 D CA 0.332 54.389 54.000 0.096 0.000 0.890 796 D CB 0.358 41.201 40.800 0.071 0.000 0.906 796 D HN 0.261 nan 8.370 nan 0.000 0.530 797 S N 0.926 116.712 115.700 0.143 0.000 2.579 797 S HA 0.183 4.653 4.470 0.001 0.000 0.275 797 S C 0.138 174.796 174.600 0.097 0.000 1.345 797 S CA -0.615 57.655 58.200 0.118 0.000 1.031 797 S CB 0.286 63.578 63.200 0.154 0.000 0.892 797 S HN 0.084 nan 8.310 nan 0.000 0.529 798 I N 2.726 123.334 120.570 0.063 0.000 2.523 798 I HA 0.466 4.637 4.170 0.001 0.000 0.281 798 I C 0.217 176.289 176.117 -0.075 0.000 1.126 798 I CA -0.329 61.021 61.300 0.083 0.000 1.187 798 I CB 0.324 38.507 38.000 0.304 0.000 1.478 798 I HN 0.472 nan 8.210 nan 0.000 0.522 799 T N 1.469 115.873 114.554 -0.250 0.000 2.716 799 T HA 0.580 4.931 4.350 0.001 0.000 0.286 799 T C -0.227 174.262 174.700 -0.351 0.000 1.052 799 T CA -0.391 61.478 62.100 -0.385 0.000 1.024 799 T CB 1.792 70.241 68.868 -0.698 0.000 1.349 799 T HN 0.349 nan 8.240 nan 0.000 0.525 800 T N 2.457 116.846 114.554 -0.276 0.000 3.375 800 T HA 0.301 4.652 4.350 0.001 0.000 0.363 800 T C -0.373 174.314 174.700 -0.022 0.000 1.837 800 T CA -0.372 61.667 62.100 -0.102 0.000 1.445 800 T CB -0.799 68.050 68.868 -0.031 0.000 1.089 800 T HN 0.479 nan 8.240 nan 0.000 0.722 801 W N 2.383 123.737 121.300 0.089 0.000 2.409 801 W HA 0.039 4.700 4.660 0.001 0.000 0.338 801 W C 0.704 177.204 176.519 -0.031 0.000 1.273 801 W CA -0.495 56.890 57.345 0.067 0.000 1.299 801 W CB 0.489 30.030 29.460 0.135 0.000 1.192 801 W HN 0.286 nan 8.180 nan 0.000 0.565 802 E N 4.887 125.233 120.200 0.245 0.000 2.256 802 E HA 0.221 4.571 4.350 0.001 0.000 0.243 802 E C -0.265 176.295 176.600 -0.067 0.000 0.925 802 E CA -0.502 55.945 56.400 0.079 0.000 0.748 802 E CB 0.585 30.371 29.700 0.142 0.000 1.206 802 E HN 0.369 nan 8.360 nan 0.000 0.428 803 I N 3.814 124.343 120.570 -0.068 0.000 2.533 803 I HA 0.041 4.211 4.170 0.001 0.000 0.284 803 I C -0.105 175.983 176.117 -0.048 0.000 1.109 803 I CA -0.003 61.227 61.300 -0.117 0.000 1.412 803 I CB 0.216 38.196 38.000 -0.033 0.000 1.396 803 I HN 0.123 nan 8.210 nan 0.000 0.543 804 L N 5.778 126.931 121.223 -0.116 0.000 2.370 804 L HA 0.792 5.133 4.340 0.001 0.000 0.266 804 L C 0.012 176.837 176.870 -0.076 0.000 1.002 804 L CA -0.752 54.045 54.840 -0.072 0.000 0.818 804 L CB 1.095 43.083 42.059 -0.119 0.000 1.325 804 L HN 0.636 nan 8.230 nan 0.000 0.418 805 A N 1.574 124.358 122.820 -0.059 0.000 2.350 805 A HA 0.923 5.244 4.320 0.001 0.000 0.318 805 A C -0.898 176.628 177.584 -0.096 0.000 1.132 805 A CA -0.640 51.347 52.037 -0.084 0.000 0.811 805 A CB 2.086 21.033 19.000 -0.088 0.000 1.313 805 A HN 0.469 nan 8.150 nan 0.000 0.454 806 V N 1.017 120.856 119.914 -0.125 0.000 2.735 806 V HA 0.362 4.482 4.120 0.001 0.000 0.276 806 V C -0.313 175.622 176.094 -0.265 0.000 1.083 806 V CA -0.292 61.878 62.300 -0.217 0.000 0.923 806 V CB 1.365 33.078 31.823 -0.183 0.000 1.053 806 V HN 1.009 nan 8.190 nan 0.000 0.471 807 S N 4.794 120.332 115.700 -0.269 0.000 2.549 807 S HA 0.847 5.318 4.470 0.001 0.000 0.297 807 S C -0.769 173.675 174.600 -0.261 0.000 1.115 807 S CA -0.534 57.535 58.200 -0.219 0.000 1.059 807 S CB 1.550 64.663 63.200 -0.146 0.000 1.046 807 S HN 0.785 nan 8.310 nan 0.000 0.506 808 L N 4.494 125.609 121.223 -0.179 0.000 2.353 808 L HA 0.627 4.967 4.340 0.001 0.000 0.270 808 L C -0.519 176.310 176.870 -0.068 0.000 1.003 808 L CA -0.407 54.352 54.840 -0.135 0.000 0.862 808 L CB 1.413 43.424 42.059 -0.081 0.000 1.221 808 L HN 0.694 nan 8.230 nan 0.000 0.430 809 S N 1.851 117.510 115.700 -0.068 0.000 2.452 809 S HA 0.211 4.682 4.470 0.001 0.000 0.284 809 S C -0.057 174.525 174.600 -0.030 0.000 1.171 809 S CA -0.812 57.360 58.200 -0.046 0.000 1.064 809 S CB 1.135 64.306 63.200 -0.047 0.000 0.967 809 S HN 0.747 nan 8.310 nan 0.000 0.484 810 D N 2.645 123.027 120.400 -0.030 0.000 2.662 810 D HA -0.101 4.539 4.640 0.001 0.000 0.233 810 D C 0.270 176.558 176.300 -0.020 0.000 1.129 810 D CA 0.774 54.756 54.000 -0.029 0.000 0.851 810 D CB 0.159 40.926 40.800 -0.056 0.000 1.152 810 D HN 0.767 nan 8.370 nan 0.000 0.507 811 K N 2.194 122.591 120.400 -0.005 0.000 2.948 811 K HA -0.252 4.068 4.320 0.001 0.000 0.253 811 K C 0.853 177.456 176.600 0.004 0.000 0.970 811 K CA 0.615 56.904 56.287 0.004 0.000 0.716 811 K CB -0.263 32.236 32.500 -0.002 0.000 1.249 811 K HN 0.357 nan 8.250 nan 0.000 0.483 812 K N -0.215 120.186 120.400 0.001 0.000 2.548 812 K HA 0.104 4.424 4.320 0.001 0.000 0.209 812 K C 0.610 177.212 176.600 0.005 0.000 1.420 812 K CA 1.524 57.812 56.287 0.001 0.000 0.985 812 K CB 1.187 33.681 32.500 -0.012 0.000 1.249 812 K HN 0.414 nan 8.250 nan 0.000 0.557 813 G N 0.819 109.614 108.800 -0.008 0.000 2.343 813 G HA2 0.012 3.972 3.960 0.001 0.000 0.562 813 G HA3 0.012 3.972 3.960 0.001 0.000 0.562 813 G C -1.514 173.332 174.900 -0.091 0.000 1.269 813 G CA -0.555 44.532 45.100 -0.022 0.000 1.011 813 G HN 0.020 nan 8.290 nan 0.000 0.498 814 I N 0.703 121.173 120.570 -0.166 0.000 2.411 814 I HA 0.470 4.641 4.170 0.001 0.000 0.284 814 I C -0.000 175.900 176.117 -0.360 0.000 1.012 814 I CA -0.580 60.538 61.300 -0.304 0.000 1.119 814 I CB 1.366 39.114 38.000 -0.419 0.000 1.261 814 I HN 0.767 nan 8.210 nan 0.000 0.448 815 c N 7.661 126.081 118.600 -0.300 0.000 2.351 815 c HA 0.611 5.181 4.570 0.001 0.000 0.326 815 c C 0.044 173.959 174.090 -0.291 0.000 1.272 815 c CA -0.329 55.838 56.329 -0.270 0.000 1.650 815 c CB 0.840 43.259 42.510 -0.153 0.000 2.257 815 c HN 0.501 nan 8.230 nan 0.000 0.505 816 V N 7.706 127.442 119.914 -0.297 0.000 2.284 816 V HA 0.451 4.571 4.120 0.001 0.000 0.260 816 V C 1.243 177.255 176.094 -0.136 0.000 1.084 816 V CA 0.195 62.352 62.300 -0.237 0.000 0.894 816 V CB -0.242 31.425 31.823 -0.259 0.000 1.119 816 V HN 1.199 nan 8.190 nan 0.000 0.484 817 A N 4.476 127.235 122.820 -0.102 0.000 2.363 817 A HA 0.083 4.403 4.320 0.001 0.000 0.291 817 A C 0.415 177.998 177.584 -0.002 0.000 1.210 817 A CA 0.303 52.311 52.037 -0.049 0.000 0.892 817 A CB 0.074 19.047 19.000 -0.045 0.000 1.121 817 A HN 0.705 nan 8.150 nan 0.000 0.522 818 D N -0.570 119.848 120.400 0.030 0.000 2.326 818 D HA 0.490 5.130 4.640 0.001 0.000 0.251 818 D C -2.580 173.797 176.300 0.128 0.000 1.023 818 D CA -1.016 53.029 54.000 0.075 0.000 0.966 818 D CB 0.505 41.345 40.800 0.067 0.000 1.156 818 D HN 0.161 nan 8.370 nan 0.000 0.494 819 P HA -0.013 nan 4.420 nan 0.000 0.266 819 P C -0.786 176.654 177.300 0.234 0.000 1.215 819 P CA 0.106 63.358 63.100 0.254 0.000 0.763 819 P CB -0.077 31.829 31.700 0.343 0.000 0.806 820 Y N 3.431 123.776 120.300 0.075 0.000 2.504 820 Y HA 0.273 4.824 4.550 0.001 0.000 0.339 820 Y C 0.544 176.494 175.900 0.083 0.000 0.974 820 Y CA -1.478 56.655 58.100 0.054 0.000 1.232 820 Y CB 0.180 38.645 38.460 0.009 0.000 1.108 820 Y HN 0.358 nan 8.280 nan 0.000 0.509 821 E N 3.540 123.574 120.200 -0.276 0.000 2.392 821 E HA 0.560 4.910 4.350 0.001 0.000 0.259 821 E C -1.423 174.889 176.600 -0.480 0.000 1.108 821 E CA -0.330 55.913 56.400 -0.261 0.000 0.916 821 E CB 0.759 30.423 29.700 -0.060 0.000 0.989 821 E HN 0.457 nan 8.360 nan 0.000 0.432 822 V N 3.221 123.034 119.914 -0.167 0.000 2.671 822 V HA 0.182 4.303 4.120 0.001 0.000 0.292 822 V C -0.428 175.751 176.094 0.141 0.000 1.115 822 V CA -0.763 61.515 62.300 -0.037 0.000 0.918 822 V CB 1.367 33.160 31.823 -0.051 0.000 1.036 822 V HN 0.863 nan 8.190 nan 0.000 0.445 823 T N 0.962 115.653 114.554 0.227 0.000 2.867 823 T HA 0.679 5.029 4.350 0.001 0.000 0.282 823 T C -0.091 174.792 174.700 0.305 0.000 1.000 823 T CA -0.639 61.559 62.100 0.163 0.000 1.042 823 T CB 1.877 70.786 68.868 0.069 0.000 0.973 823 T HN 0.347 nan 8.240 nan 0.000 0.465 824 V N 3.101 123.135 119.914 0.199 0.000 2.887 824 V HA 0.274 4.394 4.120 0.001 0.000 0.370 824 V C 0.474 176.685 176.094 0.195 0.000 1.322 824 V CA -0.711 61.746 62.300 0.262 0.000 1.267 824 V CB -0.609 31.367 31.823 0.256 0.000 1.344 824 V HN 0.977 nan 8.190 nan 0.000 0.573 825 M N 1.262 120.977 119.600 0.191 0.000 2.150 825 M HA 0.300 4.780 4.480 0.001 0.000 0.278 825 M C -0.140 176.270 176.300 0.184 0.000 1.213 825 M CA 1.286 56.700 55.300 0.191 0.000 1.147 825 M CB 0.269 33.014 32.600 0.242 0.000 1.371 825 M HN 0.505 nan 8.290 nan 0.000 0.444 826 Q N -0.579 119.254 119.800 0.056 0.000 2.756 826 Q HA 0.257 4.598 4.340 0.001 0.000 0.295 826 Q C -1.397 174.565 176.000 -0.062 0.000 0.903 826 Q CA -0.652 55.110 55.803 -0.068 0.000 0.768 826 Q CB 1.324 29.942 28.738 -0.199 0.000 1.472 826 Q HN 0.792 nan 8.270 nan 0.000 0.416 827 D N 0.529 120.920 120.400 -0.015 0.000 2.433 827 D HA 0.173 4.814 4.640 0.001 0.000 0.211 827 D C -0.611 175.794 176.300 0.176 0.000 1.114 827 D CA 0.400 54.460 54.000 0.101 0.000 0.837 827 D CB 0.785 41.630 40.800 0.075 0.000 0.984 827 D HN 0.168 nan 8.370 nan 0.000 0.505 828 F N 0.784 120.653 119.950 -0.135 0.000 2.576 828 F HA 0.580 5.107 4.527 0.001 0.000 0.313 828 F C -1.774 173.882 175.800 -0.239 0.000 1.078 828 F CA -1.324 56.619 58.000 -0.095 0.000 0.921 828 F CB 1.537 40.511 39.000 -0.044 0.000 1.232 828 F HN -0.364 nan 8.300 nan 0.000 0.459 829 F N 5.005 124.468 119.950 -0.811 0.000 2.626 829 F HA 0.627 5.154 4.527 0.001 0.000 0.311 829 F C -1.097 174.148 175.800 -0.925 0.000 1.088 829 F CA -1.220 56.423 58.000 -0.595 0.000 0.949 829 F CB 2.151 41.172 39.000 0.035 0.000 1.322 829 F HN 0.448 nan 8.300 nan 0.000 0.461 830 I N 2.570 123.031 120.570 -0.182 0.000 2.586 830 I HA 0.283 4.453 4.170 0.001 0.000 0.281 830 I C -2.001 174.125 176.117 0.015 0.000 1.145 830 I CA -0.221 60.992 61.300 -0.144 0.000 1.073 830 I CB 0.853 38.806 38.000 -0.078 0.000 1.238 830 I HN 0.566 nan 8.210 nan 0.000 0.461 831 D N 6.988 127.403 120.400 0.025 0.000 2.303 831 D HA 0.378 5.018 4.640 0.001 0.000 0.236 831 D C -1.247 175.083 176.300 0.050 0.000 1.068 831 D CA -0.289 53.750 54.000 0.065 0.000 0.830 831 D CB 1.773 42.667 40.800 0.157 0.000 1.109 831 D HN 0.424 nan 8.370 nan 0.000 0.496 832 L N 3.977 125.238 121.223 0.063 0.000 2.326 832 L HA 0.511 4.851 4.340 0.001 0.000 0.278 832 L C -0.529 176.400 176.870 0.098 0.000 1.092 832 L CA -0.196 54.690 54.840 0.077 0.000 0.810 832 L CB 0.838 42.933 42.059 0.059 0.000 1.153 832 L HN 0.359 nan 8.230 nan 0.000 0.439 833 R N 6.373 126.960 120.500 0.145 0.000 2.337 833 R HA 0.556 4.896 4.340 0.001 0.000 0.319 833 R C -1.356 175.128 176.300 0.307 0.000 0.954 833 R CA -0.410 55.833 56.100 0.238 0.000 0.840 833 R CB 0.879 31.323 30.300 0.240 0.000 1.164 833 R HN 0.639 nan 8.270 nan 0.000 0.472 834 L N 4.426 125.745 121.223 0.159 0.000 2.354 834 L HA 0.573 4.914 4.340 0.001 0.000 0.269 834 L C -1.924 174.760 176.870 -0.310 0.000 1.005 834 L CA -2.154 52.613 54.840 -0.122 0.000 0.819 834 L CB 2.454 44.438 42.059 -0.125 0.000 1.311 834 L HN 0.262 nan 8.230 nan 0.000 0.423 835 P HA -0.064 nan 4.420 nan 0.000 0.270 835 P C 0.137 177.322 177.300 -0.191 0.000 1.223 835 P CA -0.171 62.586 63.100 -0.573 0.000 0.785 835 P CB 0.728 32.047 31.700 -0.635 0.000 0.923 836 Y N 1.474 121.704 120.300 -0.117 0.000 2.207 836 Y HA -0.155 4.396 4.550 0.001 0.000 0.287 836 Y C 1.002 176.854 175.900 -0.081 0.000 1.156 836 Y CA 1.831 59.891 58.100 -0.066 0.000 1.182 836 Y CB -0.066 38.384 38.460 -0.016 0.000 0.979 836 Y HN 0.564 nan 8.280 nan 0.000 0.521 837 S N -1.720 113.746 115.700 -0.391 0.000 2.672 837 S HA 0.739 5.209 4.470 0.001 0.000 0.271 837 S C -1.502 172.961 174.600 -0.229 0.000 1.171 837 S CA -0.352 57.587 58.200 -0.435 0.000 0.817 837 S CB 1.771 64.690 63.200 -0.469 0.000 1.150 837 S HN 0.076 nan 8.310 nan 0.000 0.478 838 V N 0.638 120.435 119.914 -0.195 0.000 3.120 838 V HA 0.728 4.848 4.120 0.001 0.000 0.303 838 V C -0.695 175.334 176.094 -0.107 0.000 1.238 838 V CA -0.360 61.854 62.300 -0.143 0.000 1.008 838 V CB 1.841 33.558 31.823 -0.177 0.000 1.064 838 V HN 1.459 nan 8.190 nan 0.000 0.434 839 V N 2.661 122.531 119.914 -0.073 0.000 2.483 839 V HA 0.688 4.808 4.120 0.001 0.000 0.295 839 V C 0.378 176.429 176.094 -0.073 0.000 1.035 839 V CA -0.717 61.546 62.300 -0.061 0.000 0.896 839 V CB 1.486 33.294 31.823 -0.026 0.000 0.986 839 V HN 1.039 nan 8.190 nan 0.000 0.447 840 R N 4.231 124.680 120.500 -0.086 0.000 2.678 840 R HA 0.067 4.407 4.340 0.001 0.000 0.264 840 R C 0.236 176.417 176.300 -0.198 0.000 0.995 840 R CA 0.806 56.838 56.100 -0.113 0.000 1.098 840 R CB -0.280 29.957 30.300 -0.105 0.000 0.949 840 R HN 0.930 nan 8.270 nan 0.000 0.422 841 N N -0.213 118.358 118.700 -0.214 0.000 2.776 841 N HA -0.194 4.546 4.740 0.001 0.000 0.249 841 N C -1.157 174.279 175.510 -0.123 0.000 1.111 841 N CA 1.602 54.474 53.050 -0.297 0.000 0.711 841 N CB -0.799 37.191 38.487 -0.829 0.000 1.065 841 N HN 0.847 nan 8.380 nan 0.000 0.556 842 E N 0.672 120.832 120.200 -0.066 0.000 2.216 842 E HA 0.230 4.580 4.350 0.001 0.000 0.260 842 E C -0.857 175.728 176.600 -0.025 0.000 0.880 842 E CA -0.395 55.998 56.400 -0.012 0.000 0.765 842 E CB 0.987 30.680 29.700 -0.011 0.000 1.174 842 E HN 0.087 nan 8.360 nan 0.000 0.417 843 Q N 1.827 121.624 119.800 -0.004 0.000 2.297 843 Q HA 0.297 4.637 4.340 0.001 0.000 0.267 843 Q C -0.917 175.082 176.000 -0.002 0.000 1.006 843 Q CA -0.107 55.695 55.803 -0.002 0.000 0.896 843 Q CB 1.498 30.245 28.738 0.016 0.000 1.186 843 Q HN 0.257 nan 8.270 nan 0.000 0.392 844 V N 2.469 122.371 119.914 -0.020 0.000 2.482 844 V HA 0.197 4.317 4.120 0.001 0.000 0.295 844 V C -0.444 175.661 176.094 0.018 0.000 1.026 844 V CA -0.837 61.447 62.300 -0.027 0.000 0.856 844 V CB 1.590 33.338 31.823 -0.125 0.000 1.001 844 V HN 0.757 nan 8.190 nan 0.000 0.424 845 E N 6.320 126.574 120.200 0.090 0.000 2.001 845 E HA 0.311 4.661 4.350 0.001 0.000 0.279 845 E C -0.066 176.674 176.600 0.234 0.000 1.045 845 E CA -0.571 55.909 56.400 0.133 0.000 0.833 845 E CB 0.739 30.507 29.700 0.113 0.000 1.077 845 E HN 0.724 nan 8.360 nan 0.000 0.397 846 I N 1.580 122.270 120.570 0.199 0.000 3.244 846 I HA 0.512 4.682 4.170 0.001 0.000 0.314 846 I C -0.300 175.993 176.117 0.293 0.000 1.043 846 I CA -0.848 60.620 61.300 0.280 0.000 1.099 846 I CB 0.742 38.811 38.000 0.115 0.000 1.449 846 I HN 0.642 nan 8.210 nan 0.000 0.625 847 R N 1.645 122.315 120.500 0.285 0.000 2.561 847 R HA 0.775 5.115 4.340 0.001 0.000 0.266 847 R C -1.637 174.769 176.300 0.177 0.000 1.091 847 R CA -0.795 55.431 56.100 0.210 0.000 0.927 847 R CB 1.216 31.569 30.300 0.089 0.000 1.240 847 R HN 0.854 nan 8.270 nan 0.000 0.449 848 A N 4.125 127.066 122.820 0.202 0.000 2.301 848 A HA 0.586 4.907 4.320 0.001 0.000 0.298 848 A C -0.211 177.370 177.584 -0.005 0.000 1.185 848 A CA -0.817 51.296 52.037 0.128 0.000 0.830 848 A CB 0.349 19.480 19.000 0.219 0.000 1.112 848 A HN 0.710 nan 8.150 nan 0.000 0.508 849 I N 3.972 124.475 120.570 -0.110 0.000 2.428 849 I HA 0.188 4.359 4.170 0.001 0.000 0.279 849 I C -0.743 175.017 176.117 -0.596 0.000 1.040 849 I CA -0.131 60.960 61.300 -0.349 0.000 1.171 849 I CB 0.894 38.655 38.000 -0.399 0.000 1.312 849 I HN 0.503 nan 8.210 nan 0.000 0.470 850 L N 6.665 127.631 121.223 -0.428 0.000 2.319 850 L HA 0.358 4.698 4.340 0.001 0.000 0.280 850 L C -0.837 175.775 176.870 -0.430 0.000 1.099 850 L CA -0.363 54.285 54.840 -0.320 0.000 0.828 850 L CB -0.007 42.052 42.059 -0.001 0.000 1.150 850 L HN 0.391 nan 8.230 nan 0.000 0.442 851 Y N 1.817 122.044 120.300 -0.122 0.000 2.446 851 Y HA 0.421 4.971 4.550 0.001 0.000 0.338 851 Y C 0.204 175.999 175.900 -0.175 0.000 1.055 851 Y CA -0.968 56.996 58.100 -0.226 0.000 1.101 851 Y CB 1.611 39.926 38.460 -0.242 0.000 1.221 851 Y HN 0.551 nan 8.280 nan 0.000 0.460 852 N N 1.177 119.772 118.700 -0.175 0.000 2.399 852 N HA 0.181 4.922 4.740 0.001 0.000 0.284 852 N C -1.546 173.783 175.510 -0.302 0.000 1.025 852 N CA -0.729 52.277 53.050 -0.074 0.000 0.885 852 N CB 0.596 39.084 38.487 0.001 0.000 1.339 852 N HN 0.610 nan 8.380 nan 0.000 0.487 853 Y N 1.243 121.627 120.300 0.141 0.000 2.531 853 Y HA 0.269 4.820 4.550 0.001 0.000 0.249 853 Y C 0.815 176.782 175.900 0.112 0.000 1.168 853 Y CA -0.467 57.714 58.100 0.134 0.000 1.226 853 Y CB 0.351 38.903 38.460 0.154 0.000 1.177 853 Y HN 0.494 nan 8.280 nan 0.000 0.527 854 R N 1.161 121.764 120.500 0.171 0.000 2.340 854 R HA 0.248 4.588 4.340 0.001 0.000 0.300 854 R C -0.493 175.867 176.300 0.100 0.000 1.069 854 R CA -0.456 55.725 56.100 0.135 0.000 0.984 854 R CB 0.819 31.178 30.300 0.098 0.000 1.003 854 R HN 0.105 nan 8.270 nan 0.000 0.459 855 E N 2.783 123.044 120.200 0.100 0.000 2.313 855 E HA 0.279 4.629 4.350 0.001 0.000 0.276 855 E C 0.178 176.812 176.600 0.057 0.000 1.031 855 E CA 0.895 57.341 56.400 0.077 0.000 0.857 855 E CB 0.990 30.737 29.700 0.080 0.000 1.040 855 E HN 0.819 nan 8.360 nan 0.000 0.408 856 A N 3.458 126.304 122.820 0.043 0.000 3.396 856 A HA -0.256 4.064 4.320 0.001 0.000 0.267 856 A C -0.064 177.536 177.584 0.026 0.000 1.139 856 A CA 1.664 53.720 52.037 0.032 0.000 1.115 856 A CB -1.785 17.234 19.000 0.032 0.000 1.133 856 A HN 0.653 nan 8.150 nan 0.000 0.920 857 E N 0.242 120.460 120.200 0.030 0.000 2.212 857 E HA 0.483 4.834 4.350 0.001 0.000 0.268 857 E C -1.001 175.610 176.600 0.017 0.000 0.902 857 E CA -1.075 55.339 56.400 0.024 0.000 0.779 857 E CB 0.837 30.555 29.700 0.031 0.000 1.172 857 E HN 0.401 nan 8.360 nan 0.000 0.409 858 N N 2.968 121.672 118.700 0.007 0.000 2.485 858 N HA 0.168 4.909 4.740 0.001 0.000 0.243 858 N C -0.787 174.720 175.510 -0.005 0.000 0.987 858 N CA -0.411 52.638 53.050 -0.002 0.000 0.940 858 N CB 0.762 39.241 38.487 -0.013 0.000 1.122 858 N HN 0.281 nan 8.380 nan 0.000 0.509 859 L N 1.625 122.849 121.223 0.002 0.000 2.456 859 L HA 0.203 4.543 4.340 0.001 0.000 0.277 859 L C 1.052 177.903 176.870 -0.033 0.000 1.124 859 L CA 0.298 55.132 54.840 -0.011 0.000 0.880 859 L CB -0.658 41.398 42.059 -0.005 0.000 1.192 859 L HN 0.287 nan 8.230 nan 0.000 0.463 860 K N 2.489 122.862 120.400 -0.046 0.000 2.218 860 K HA 0.595 4.916 4.320 0.001 0.000 0.276 860 K C -0.874 175.682 176.600 -0.073 0.000 1.022 860 K CA -0.365 55.886 56.287 -0.061 0.000 0.946 860 K CB 1.055 33.501 32.500 -0.090 0.000 1.000 860 K HN 0.401 nan 8.250 nan 0.000 0.468 861 V N 3.205 123.077 119.914 -0.071 0.000 3.147 861 V HA 0.426 4.547 4.120 0.001 0.000 0.306 861 V C -1.029 175.032 176.094 -0.054 0.000 1.209 861 V CA -1.042 61.198 62.300 -0.100 0.000 1.023 861 V CB 2.046 33.789 31.823 -0.135 0.000 1.059 861 V HN 0.786 nan 8.190 nan 0.000 0.435 862 R N 1.924 122.392 120.500 -0.054 0.000 2.407 862 R HA 0.690 5.030 4.340 0.001 0.000 0.298 862 R C -0.982 175.320 176.300 0.004 0.000 1.166 862 R CA -0.272 55.810 56.100 -0.029 0.000 1.006 862 R CB 1.457 31.736 30.300 -0.035 0.000 1.145 862 R HN 0.764 nan 8.270 nan 0.000 0.538 863 V N -0.015 119.923 119.914 0.040 0.000 2.834 863 V HA 0.710 4.831 4.120 0.001 0.000 0.313 863 V C -0.459 175.684 176.094 0.081 0.000 1.060 863 V CA -0.601 61.758 62.300 0.099 0.000 0.989 863 V CB 1.752 33.681 31.823 0.175 0.000 1.041 863 V HN 0.845 nan 8.190 nan 0.000 0.459 864 E N 1.947 122.211 120.200 0.106 0.000 2.375 864 E HA 0.479 4.830 4.350 0.001 0.000 0.280 864 E C -2.205 174.430 176.600 0.057 0.000 0.972 864 E CA -0.948 55.507 56.400 0.091 0.000 0.782 864 E CB 2.550 32.269 29.700 0.032 0.000 1.229 864 E HN 0.874 nan 8.360 nan 0.000 0.439 865 L N 5.291 126.526 121.223 0.020 0.000 2.259 865 L HA 0.385 4.725 4.340 0.001 0.000 0.288 865 L C -0.916 175.951 176.870 -0.004 0.000 1.051 865 L CA -0.352 54.388 54.840 -0.168 0.000 0.824 865 L CB 0.613 42.339 42.059 -0.555 0.000 1.206 865 L HN 0.544 nan 8.230 nan 0.000 0.429 866 L N 5.145 126.371 121.223 0.005 0.000 2.540 866 L HA 0.008 4.348 4.340 0.001 0.000 0.276 866 L C -0.129 176.763 176.870 0.036 0.000 1.212 866 L CA -0.062 54.801 54.840 0.039 0.000 0.893 866 L CB -0.340 41.729 42.059 0.017 0.000 1.138 866 L HN 0.599 nan 8.230 nan 0.000 0.491 867 Y N 4.986 125.251 120.300 -0.058 0.000 2.511 867 Y HA 0.116 4.666 4.550 0.001 0.000 0.332 867 Y C 0.077 175.850 175.900 -0.212 0.000 1.177 867 Y CA 0.001 58.033 58.100 -0.113 0.000 1.422 867 Y CB 0.484 38.895 38.460 -0.081 0.000 1.271 867 Y HN 0.611 nan 8.280 nan 0.000 0.550 868 N N 7.312 125.307 118.700 -1.175 0.000 2.249 868 N HA 0.290 5.030 4.740 0.001 0.000 0.296 868 N C -2.367 172.231 175.510 -1.519 0.000 1.051 868 N CA -2.150 50.125 53.050 -1.292 0.000 0.815 868 N CB 2.576 40.310 38.487 -1.253 0.000 1.487 868 N HN 0.445 nan 8.380 nan 0.000 0.475 869 P HA -0.024 nan 4.420 nan 0.000 0.226 869 P C 0.802 177.788 177.300 -0.522 0.000 1.153 869 P CA 0.587 63.303 63.100 -0.640 0.000 0.777 869 P CB 0.328 31.826 31.700 -0.336 0.000 0.794 870 A N -0.373 122.016 122.820 -0.719 0.000 2.014 870 A HA 0.085 4.406 4.320 0.001 0.000 0.218 870 A C 0.842 178.283 177.584 -0.239 0.000 1.163 870 A CA 0.795 52.468 52.037 -0.606 0.000 0.652 870 A CB -0.869 17.524 19.000 -1.013 0.000 0.808 870 A HN 0.323 nan 8.150 nan 0.000 0.449 871 F N -4.144 115.650 119.950 -0.260 0.000 2.613 871 F HA 0.625 5.153 4.527 0.001 0.000 0.310 871 F C -0.406 175.331 175.800 -0.105 0.000 1.085 871 F CA -2.176 55.732 58.000 -0.153 0.000 0.945 871 F CB 0.039 38.971 39.000 -0.113 0.000 1.298 871 F HN -0.174 nan 8.300 nan 0.000 0.455 872 c N 2.068 120.752 118.600 0.139 0.000 2.604 872 c HA 0.794 5.364 4.570 0.001 0.000 0.396 872 c C 0.473 174.656 174.090 0.155 0.000 1.282 872 c CA 0.357 56.748 56.329 0.104 0.000 2.292 872 c CB 0.270 42.819 42.510 0.064 0.000 2.633 872 c HN 1.055 nan 8.230 nan 0.000 0.620 873 S N 1.211 116.992 115.700 0.135 0.000 2.669 873 S HA 0.341 4.811 4.470 0.001 0.000 0.266 873 S C -0.127 174.523 174.600 0.083 0.000 1.149 873 S CA -0.733 57.545 58.200 0.130 0.000 0.842 873 S CB 0.304 63.608 63.200 0.173 0.000 1.160 873 S HN 0.498 nan 8.310 nan 0.000 0.487 874 L N 0.550 121.789 121.223 0.026 0.000 2.376 874 L HA 0.257 4.598 4.340 0.001 0.000 0.219 874 L C 1.319 178.178 176.870 -0.018 0.000 1.133 874 L CA 1.057 55.857 54.840 -0.067 0.000 0.816 874 L CB -0.524 41.353 42.059 -0.303 0.000 0.933 874 L HN 0.837 nan 8.230 nan 0.000 0.449 875 A N 0.047 122.910 122.820 0.072 0.000 2.310 875 A HA 0.425 4.745 4.320 0.001 0.000 0.300 875 A C 0.195 177.836 177.584 0.095 0.000 1.269 875 A CA -0.209 51.907 52.037 0.132 0.000 0.909 875 A CB 0.064 19.185 19.000 0.200 0.000 1.144 875 A HN 0.084 nan 8.150 nan 0.000 0.540 876 T N 1.904 116.402 114.554 -0.094 0.000 2.874 876 T HA 0.450 4.800 4.350 0.001 0.000 0.281 876 T C 1.877 176.062 174.700 -0.859 0.000 0.994 876 T CA 0.192 62.066 62.100 -0.376 0.000 1.015 876 T CB 1.462 70.202 68.868 -0.213 0.000 1.028 876 T HN 0.883 nan 8.240 nan 0.000 0.523 877 A N 1.510 123.583 122.820 -1.246 0.000 1.869 877 A HA -0.181 4.140 4.320 0.001 0.000 0.218 877 A C 2.106 179.417 177.584 -0.455 0.000 1.203 877 A CA 2.239 53.621 52.037 -1.090 0.000 0.638 877 A CB -0.567 18.114 19.000 -0.530 0.000 0.831 877 A HN 0.651 nan 8.150 nan 0.000 0.450 878 K N 0.268 120.496 120.400 -0.287 0.000 2.242 878 K HA 0.022 4.343 4.320 0.001 0.000 0.200 878 K C 0.345 176.875 176.600 -0.117 0.000 1.050 878 K CA 1.045 57.241 56.287 -0.152 0.000 0.981 878 K CB 0.045 32.484 32.500 -0.102 0.000 0.795 878 K HN 0.603 nan 8.250 nan 0.000 0.477 879 K N 2.232 122.555 120.400 -0.129 0.000 2.334 879 K HA 0.249 4.569 4.320 0.001 0.000 0.265 879 K C -0.492 176.084 176.600 -0.040 0.000 1.039 879 K CA -0.843 55.405 56.287 -0.065 0.000 0.920 879 K CB 1.416 33.891 32.500 -0.042 0.000 1.160 879 K HN 0.015 nan 8.250 nan 0.000 0.451 880 R N 2.031 122.532 120.500 0.001 0.000 2.574 880 R HA 0.289 4.629 4.340 0.001 0.000 0.266 880 R C -0.519 175.861 176.300 0.133 0.000 1.157 880 R CA -0.688 55.450 56.100 0.063 0.000 1.187 880 R CB 0.588 30.921 30.300 0.055 0.000 1.179 880 R HN 0.830 nan 8.270 nan 0.000 0.600 881 H N -0.213 118.885 119.070 0.047 0.000 2.856 881 H HA 0.315 4.871 4.556 0.001 0.000 0.355 881 H C -1.660 173.718 175.328 0.083 0.000 1.079 881 H CA -0.788 55.297 56.048 0.061 0.000 1.240 881 H CB 1.894 31.703 29.762 0.080 0.000 1.701 881 H HN 0.737 nan 8.280 nan 0.000 0.527 882 Q N 3.428 122.969 119.800 -0.432 0.000 2.356 882 Q HA 0.412 4.752 4.340 0.001 0.000 0.270 882 Q C -0.783 174.992 176.000 -0.375 0.000 1.058 882 Q CA -0.897 54.678 55.803 -0.381 0.000 0.802 882 Q CB 3.345 32.000 28.738 -0.139 0.000 1.303 882 Q HN 0.605 nan 8.270 nan 0.000 0.444 883 Q N 0.334 119.964 119.800 -0.283 0.000 2.297 883 Q HA 0.649 4.989 4.340 0.001 0.000 0.269 883 Q C -0.940 175.015 176.000 -0.075 0.000 1.051 883 Q CA -0.687 55.030 55.803 -0.143 0.000 0.869 883 Q CB 2.382 31.074 28.738 -0.078 0.000 1.346 883 Q HN 0.463 nan 8.270 nan 0.000 0.457 884 T N 1.832 116.354 114.554 -0.053 0.000 2.879 884 T HA 0.670 5.021 4.350 0.001 0.000 0.290 884 T C -0.768 173.910 174.700 -0.038 0.000 0.993 884 T CA -0.573 61.501 62.100 -0.044 0.000 0.975 884 T CB 0.492 69.331 68.868 -0.049 0.000 0.981 884 T HN 0.530 nan 8.240 nan 0.000 0.439 885 I N -0.833 119.719 120.570 -0.031 0.000 2.894 885 I HA 0.701 4.871 4.170 0.001 0.000 0.302 885 I C -0.913 175.186 176.117 -0.029 0.000 1.188 885 I CA -0.973 60.309 61.300 -0.029 0.000 1.014 885 I CB 2.606 40.592 38.000 -0.023 0.000 1.242 885 I HN 0.334 nan 8.210 nan 0.000 0.430 886 T N 5.760 120.295 114.554 -0.031 0.000 2.832 886 T HA 0.488 4.838 4.350 0.001 0.000 0.313 886 T C -0.112 174.575 174.700 -0.022 0.000 1.035 886 T CA -0.159 61.923 62.100 -0.030 0.000 0.950 886 T CB 0.108 68.954 68.868 -0.036 0.000 0.984 886 T HN 0.294 nan 8.240 nan 0.000 0.486 887 I N 6.537 127.102 120.570 -0.009 0.000 2.494 887 I HA 0.217 4.387 4.170 0.001 0.000 0.289 887 I C -1.802 174.307 176.117 -0.014 0.000 1.106 887 I CA -2.308 58.988 61.300 -0.008 0.000 1.369 887 I CB -0.243 37.773 38.000 0.027 0.000 1.410 887 I HN 0.337 nan 8.210 nan 0.000 0.523 888 P HA -0.105 nan 4.420 nan 0.000 0.274 888 P C 0.670 177.960 177.300 -0.016 0.000 1.248 888 P CA 0.383 63.470 63.100 -0.021 0.000 0.827 888 P CB 0.456 32.140 31.700 -0.027 0.000 0.972 889 A N 0.991 123.807 122.820 -0.008 0.000 1.877 889 A HA -0.233 4.088 4.320 0.001 0.000 0.218 889 A C 0.939 178.522 177.584 -0.001 0.000 1.301 889 A CA 1.991 54.030 52.037 0.003 0.000 0.699 889 A CB -0.894 18.112 19.000 0.009 0.000 0.844 889 A HN 0.565 nan 8.150 nan 0.000 0.464 890 R N -1.289 119.205 120.500 -0.009 0.000 2.655 890 R HA 0.428 4.768 4.340 0.001 0.000 0.261 890 R C -1.205 175.064 176.300 -0.051 0.000 1.624 890 R CA -0.031 56.051 56.100 -0.031 0.000 1.655 890 R CB 1.298 31.617 30.300 0.031 0.000 1.356 890 R HN 0.424 nan 8.270 nan 0.000 0.684 891 S N -0.599 115.056 115.700 -0.074 0.000 2.806 891 S HA 0.613 5.083 4.470 0.001 0.000 0.315 891 S C -0.301 174.237 174.600 -0.103 0.000 1.127 891 S CA -0.623 57.532 58.200 -0.076 0.000 0.918 891 S CB 2.051 65.214 63.200 -0.061 0.000 1.240 891 S HN 0.197 nan 8.310 nan 0.000 0.552 892 S N 0.207 115.839 115.700 -0.112 0.000 2.648 892 S HA 0.769 5.239 4.470 0.001 0.000 0.305 892 S C -1.083 173.396 174.600 -0.202 0.000 1.094 892 S CA -0.625 57.456 58.200 -0.198 0.000 0.983 892 S CB 1.711 64.794 63.200 -0.195 0.000 1.101 892 S HN 0.420 nan 8.310 nan 0.000 0.514 893 V N 0.941 120.695 119.914 -0.267 0.000 2.769 893 V HA 0.845 4.965 4.120 0.001 0.000 0.312 893 V C -0.510 175.470 176.094 -0.190 0.000 1.061 893 V CA -0.632 61.563 62.300 -0.175 0.000 0.931 893 V CB 1.893 33.648 31.823 -0.113 0.000 1.010 893 V HN 1.032 nan 8.190 nan 0.000 0.433 894 A N 3.571 126.311 122.820 -0.133 0.000 2.331 894 A HA 0.832 5.152 4.320 0.001 0.000 0.320 894 A C -0.808 176.713 177.584 -0.104 0.000 1.138 894 A CA -0.519 51.447 52.037 -0.118 0.000 0.790 894 A CB 1.634 20.573 19.000 -0.102 0.000 1.206 894 A HN 1.465 nan 8.150 nan 0.000 0.470 895 V N 0.933 120.788 119.914 -0.097 0.000 2.380 895 V HA 0.662 4.783 4.120 0.001 0.000 0.286 895 V C -2.798 173.138 176.094 -0.263 0.000 1.015 895 V CA -2.180 60.013 62.300 -0.180 0.000 0.834 895 V CB 1.302 33.033 31.823 -0.153 0.000 1.009 895 V HN 0.722 nan 8.190 nan 0.000 0.428 896 P HA 0.303 nan 4.420 nan 0.000 0.271 896 P C -1.446 175.634 177.300 -0.366 0.000 1.216 896 P CA 0.165 63.150 63.100 -0.193 0.000 0.771 896 P CB 0.505 32.134 31.700 -0.119 0.000 0.864 897 Y N 1.125 121.455 120.300 0.050 0.000 2.344 897 Y HA 0.192 4.742 4.550 0.001 0.000 0.328 897 Y C 0.221 176.141 175.900 0.034 0.000 1.067 897 Y CA -1.108 57.019 58.100 0.045 0.000 1.247 897 Y CB 1.905 40.403 38.460 0.064 0.000 1.113 897 Y HN 0.058 nan 8.280 nan 0.000 0.465 898 V N 5.774 125.785 119.914 0.162 0.000 2.614 898 V HA 0.270 4.391 4.120 0.001 0.000 0.291 898 V C 0.091 176.250 176.094 0.109 0.000 1.049 898 V CA 0.132 62.496 62.300 0.105 0.000 1.038 898 V CB 0.878 32.746 31.823 0.074 0.000 0.980 898 V HN 0.585 nan 8.190 nan 0.000 0.481 899 I N 4.224 124.832 120.570 0.063 0.000 2.802 899 I HA 0.460 4.630 4.170 0.001 0.000 0.298 899 I C -1.113 175.009 176.117 0.008 0.000 1.176 899 I CA -0.716 60.611 61.300 0.046 0.000 1.025 899 I CB 2.688 40.663 38.000 -0.042 0.000 1.243 899 I HN 0.236 nan 8.210 nan 0.000 0.424 900 V N 6.206 126.147 119.914 0.045 0.000 2.340 900 V HA 0.318 4.438 4.120 0.001 0.000 0.277 900 V C -2.437 173.686 176.094 0.049 0.000 1.017 900 V CA -1.647 60.663 62.300 0.016 0.000 0.820 900 V CB 1.170 33.002 31.823 0.014 0.000 1.028 900 V HN 0.497 nan 8.190 nan 0.000 0.436 901 P HA 0.326 nan 4.420 nan 0.000 0.269 901 P C 0.335 177.651 177.300 0.027 0.000 1.215 901 P CA 0.167 63.304 63.100 0.062 0.000 0.780 901 P CB 1.219 32.906 31.700 -0.021 0.000 0.898 902 L N -0.753 120.495 121.223 0.042 0.000 2.658 902 L HA 0.267 4.607 4.340 0.001 0.000 0.201 902 L C 0.461 177.325 176.870 -0.010 0.000 1.050 902 L CA 0.192 55.017 54.840 -0.024 0.000 0.893 902 L CB -0.238 41.793 42.059 -0.047 0.000 1.503 902 L HN 0.139 nan 8.230 nan 0.000 0.485 903 K N 1.174 121.580 120.400 0.009 0.000 2.174 903 K HA 0.432 4.752 4.320 0.001 0.000 0.275 903 K C 0.005 176.751 176.600 0.244 0.000 1.015 903 K CA -0.104 56.222 56.287 0.066 0.000 0.933 903 K CB 1.005 33.499 32.500 -0.010 0.000 1.025 903 K HN -0.021 nan 8.250 nan 0.000 0.463 904 I N 1.024 121.677 120.570 0.139 0.000 3.233 904 I HA 0.171 4.342 4.170 0.001 0.000 0.231 904 I C 1.099 177.241 176.117 0.042 0.000 1.255 904 I CA 0.583 61.926 61.300 0.071 0.000 0.809 904 I CB -0.080 37.923 38.000 0.004 0.000 1.688 904 I HN 0.760 nan 8.210 nan 0.000 0.910 905 G N 0.592 109.332 108.800 -0.100 0.000 2.855 905 G HA2 -0.208 3.753 3.960 0.001 0.000 0.352 905 G HA3 -0.208 3.753 3.960 0.001 0.000 0.352 905 G C -0.739 173.830 174.900 -0.552 0.000 1.415 905 G CA -0.780 44.191 45.100 -0.214 0.000 0.871 905 G HN 0.557 nan 8.290 nan 0.000 0.543 906 L N 1.188 122.131 121.223 -0.467 0.000 2.326 906 L HA 0.569 4.909 4.340 0.001 0.000 0.278 906 L C 0.137 176.680 176.870 -0.546 0.000 1.092 906 L CA -0.835 53.722 54.840 -0.472 0.000 0.810 906 L CB 1.171 43.105 42.059 -0.208 0.000 1.153 906 L HN 0.574 nan 8.230 nan 0.000 0.439 907 H N 1.694 120.778 119.070 0.025 0.000 2.637 907 H HA 0.381 4.938 4.556 0.001 0.000 0.363 907 H C -0.686 174.704 175.328 0.103 0.000 1.131 907 H CA -0.864 55.244 56.048 0.100 0.000 1.183 907 H CB 1.954 31.886 29.762 0.283 0.000 1.637 907 H HN 0.466 nan 8.280 nan 0.000 0.531 908 E N 1.931 122.263 120.200 0.219 0.000 2.316 908 E HA 0.223 4.573 4.350 0.001 0.000 0.275 908 E C -0.292 176.441 176.600 0.222 0.000 1.029 908 E CA -0.454 56.030 56.400 0.139 0.000 0.871 908 E CB 1.914 31.657 29.700 0.072 0.000 1.022 908 E HN 0.180 nan 8.360 nan 0.000 0.418 909 V N 3.496 123.504 119.914 0.156 0.000 2.378 909 V HA 0.226 4.346 4.120 0.001 0.000 0.288 909 V C 0.015 176.151 176.094 0.070 0.000 1.016 909 V CA -0.504 61.898 62.300 0.169 0.000 0.840 909 V CB 1.614 33.453 31.823 0.026 0.000 0.994 909 V HN 0.581 nan 8.190 nan 0.000 0.431 910 E N 3.817 124.049 120.200 0.054 0.000 2.248 910 E HA 0.732 5.082 4.350 0.001 0.000 0.267 910 E C -1.945 174.654 176.600 -0.002 0.000 0.877 910 E CA -0.498 55.917 56.400 0.025 0.000 0.759 910 E CB 2.478 32.194 29.700 0.026 0.000 1.182 910 E HN 0.427 nan 8.360 nan 0.000 0.418 911 V N 4.494 124.413 119.914 0.009 0.000 2.577 911 V HA 0.386 4.507 4.120 0.001 0.000 0.303 911 V C -0.605 175.526 176.094 0.061 0.000 1.042 911 V CA -0.828 61.479 62.300 0.012 0.000 0.872 911 V CB 1.837 33.667 31.823 0.012 0.000 0.998 911 V HN 0.617 nan 8.190 nan 0.000 0.423 912 K N 3.018 123.460 120.400 0.071 0.000 2.156 912 K HA 0.937 5.257 4.320 0.001 0.000 0.250 912 K C -0.519 176.157 176.600 0.127 0.000 0.955 912 K CA -0.631 55.712 56.287 0.093 0.000 0.855 912 K CB 2.537 35.075 32.500 0.064 0.000 1.101 912 K HN 0.762 nan 8.250 nan 0.000 0.434 913 A N 0.640 123.561 122.820 0.168 0.000 2.498 913 A HA 0.809 5.130 4.320 0.001 0.000 0.298 913 A C -1.600 176.018 177.584 0.056 0.000 1.075 913 A CA -0.803 51.341 52.037 0.179 0.000 0.714 913 A CB 1.888 21.174 19.000 0.476 0.000 1.299 913 A HN 0.683 nan 8.150 nan 0.000 0.407 914 A N 1.238 124.025 122.820 -0.056 0.000 2.411 914 A HA 0.625 4.945 4.320 0.001 0.000 0.285 914 A C -0.679 176.788 177.584 -0.195 0.000 1.129 914 A CA -0.359 51.615 52.037 -0.104 0.000 0.736 914 A CB 0.693 19.657 19.000 -0.059 0.000 1.186 914 A HN 1.116 nan 8.150 nan 0.000 0.445 915 V N 2.408 122.158 119.914 -0.273 0.000 2.785 915 V HA 0.071 4.191 4.120 0.001 0.000 0.300 915 V C 1.270 177.319 176.094 -0.075 0.000 1.062 915 V CA 0.038 62.184 62.300 -0.258 0.000 1.029 915 V CB 1.216 32.840 31.823 -0.330 0.000 1.024 915 V HN 0.975 nan 8.190 nan 0.000 0.477 916 Y N 2.461 122.682 120.300 -0.131 0.000 2.421 916 Y HA -0.155 4.395 4.550 0.001 0.000 0.292 916 Y C 1.828 177.695 175.900 -0.056 0.000 1.136 916 Y CA 1.828 59.874 58.100 -0.089 0.000 1.255 916 Y CB 0.322 38.738 38.460 -0.074 0.000 0.991 916 Y HN 0.740 nan 8.280 nan 0.000 0.552 917 N N -2.297 116.298 118.700 -0.175 0.000 2.557 917 N HA -0.088 4.652 4.740 0.001 0.000 0.217 917 N C 1.501 176.981 175.510 -0.049 0.000 1.062 917 N CA 0.473 53.404 53.050 -0.198 0.000 0.863 917 N CB -0.864 37.560 38.487 -0.105 0.000 1.390 917 N HN 0.294 nan 8.380 nan 0.000 0.445 918 H N 0.702 119.744 119.070 -0.047 0.000 2.501 918 H HA -0.178 4.379 4.556 0.001 0.000 0.296 918 H C 0.032 175.442 175.328 0.137 0.000 1.115 918 H CA 1.109 57.169 56.048 0.020 0.000 1.242 918 H CB -0.236 29.526 29.762 -0.001 0.000 1.363 918 H HN 0.171 nan 8.280 nan 0.000 0.537 919 F N -1.329 118.649 119.950 0.047 0.000 3.034 919 F HA -0.258 4.270 4.527 0.001 0.000 0.286 919 F C -0.516 175.337 175.800 0.089 0.000 0.804 919 F CA 0.717 58.734 58.000 0.028 0.000 1.161 919 F CB -1.195 37.800 39.000 -0.008 0.000 1.317 919 F HN 0.057 nan 8.300 nan 0.000 0.453 920 I N -0.211 120.500 120.570 0.234 0.000 2.775 920 I HA 0.256 4.426 4.170 0.001 0.000 0.295 920 I C -0.238 175.903 176.117 0.040 0.000 1.287 920 I CA -0.546 60.842 61.300 0.146 0.000 1.029 920 I CB 2.202 40.293 38.000 0.151 0.000 1.282 920 I HN -0.028 nan 8.210 nan 0.000 0.426 921 S N 2.707 118.428 115.700 0.035 0.000 2.475 921 S HA 0.375 4.845 4.470 0.001 0.000 0.281 921 S C -0.750 173.888 174.600 0.064 0.000 1.198 921 S CA -0.708 57.514 58.200 0.035 0.000 1.063 921 S CB 1.511 64.729 63.200 0.031 0.000 0.972 921 S HN 0.569 nan 8.310 nan 0.000 0.486 922 D N 2.037 122.511 120.400 0.123 0.000 2.217 922 D HA 0.618 5.259 4.640 0.001 0.000 0.243 922 D C -0.093 176.326 176.300 0.197 0.000 1.054 922 D CA -0.093 54.017 54.000 0.182 0.000 0.838 922 D CB 1.747 42.750 40.800 0.339 0.000 1.162 922 D HN 0.828 nan 8.370 nan 0.000 0.472 923 G N 0.771 109.649 108.800 0.130 0.000 2.682 923 G HA2 0.604 4.564 3.960 0.001 0.000 0.290 923 G HA3 0.604 4.564 3.960 0.001 0.000 0.290 923 G C -1.190 173.759 174.900 0.082 0.000 1.425 923 G CA -0.568 44.597 45.100 0.109 0.000 0.807 923 G HN 0.430 nan 8.290 nan 0.000 0.482 924 V N -2.043 117.912 119.914 0.068 0.000 2.969 924 V HA 0.899 5.020 4.120 0.001 0.000 0.304 924 V C -0.957 175.163 176.094 0.043 0.000 1.192 924 V CA -1.233 61.100 62.300 0.056 0.000 0.962 924 V CB 1.467 33.325 31.823 0.058 0.000 1.045 924 V HN 1.221 nan 8.190 nan 0.000 0.428 925 K N 2.152 122.574 120.400 0.037 0.000 2.422 925 K HA 0.863 5.184 4.320 0.001 0.000 0.251 925 K C -1.271 175.344 176.600 0.026 0.000 0.933 925 K CA -0.983 55.323 56.287 0.031 0.000 0.798 925 K CB 3.184 35.703 32.500 0.031 0.000 1.238 925 K HN 0.747 nan 8.250 nan 0.000 0.428 926 K N 0.681 121.093 120.400 0.020 0.000 2.480 926 K HA 0.389 4.710 4.320 0.001 0.000 0.258 926 K C -1.151 175.448 176.600 -0.003 0.000 0.990 926 K CA -1.078 55.213 56.287 0.006 0.000 0.857 926 K CB 2.480 34.981 32.500 0.001 0.000 1.384 926 K HN 0.808 nan 8.250 nan 0.000 0.446 927 T N 0.299 114.839 114.554 -0.023 0.000 2.829 927 T HA 0.478 4.829 4.350 0.001 0.000 0.282 927 T C -0.563 174.078 174.700 -0.098 0.000 0.990 927 T CA -0.841 61.234 62.100 -0.042 0.000 1.028 927 T CB 0.872 69.711 68.868 -0.049 0.000 0.951 927 T HN 0.394 nan 8.240 nan 0.000 0.460 928 L N 2.254 123.401 121.223 -0.128 0.000 2.305 928 L HA 0.504 4.844 4.340 0.001 0.000 0.284 928 L C -0.261 176.468 176.870 -0.235 0.000 1.013 928 L CA -0.655 54.062 54.840 -0.206 0.000 0.819 928 L CB 0.986 42.879 42.059 -0.276 0.000 1.227 928 L HN 0.413 nan 8.230 nan 0.000 0.417 929 K N 4.762 124.997 120.400 -0.275 0.000 2.378 929 K HA 0.241 4.561 4.320 0.001 0.000 0.288 929 K C -0.903 175.553 176.600 -0.239 0.000 1.057 929 K CA -0.154 55.964 56.287 -0.283 0.000 0.971 929 K CB 1.211 33.489 32.500 -0.369 0.000 0.975 929 K HN 0.526 nan 8.250 nan 0.000 0.475 930 V N 4.851 124.640 119.914 -0.208 0.000 2.235 930 V HA 0.078 4.199 4.120 0.001 0.000 0.266 930 V C 0.287 176.316 176.094 -0.109 0.000 1.055 930 V CA -0.821 61.400 62.300 -0.132 0.000 0.844 930 V CB 0.923 32.726 31.823 -0.034 0.000 1.097 930 V HN 0.400 nan 8.190 nan 0.000 0.453 931 V N 6.691 126.535 119.914 -0.115 0.000 2.963 931 V HA 0.218 4.339 4.120 0.001 0.000 0.306 931 V C -1.606 174.417 176.094 -0.119 0.000 1.077 931 V CA -1.031 61.206 62.300 -0.106 0.000 1.124 931 V CB 1.361 33.135 31.823 -0.081 0.000 0.987 931 V HN 0.601 nan 8.190 nan 0.000 0.487 932 P HA 0.212 nan 4.420 nan 0.000 0.281 932 P C -0.392 176.829 177.300 -0.132 0.000 1.249 932 P CA -0.538 62.442 63.100 -0.200 0.000 0.810 932 P CB 0.757 32.228 31.700 -0.382 0.000 1.008 933 E N 1.327 121.524 120.200 -0.005 0.000 2.455 933 E HA 0.228 4.579 4.350 0.001 0.000 0.259 933 E C 0.752 177.388 176.600 0.060 0.000 1.245 933 E CA 0.104 56.548 56.400 0.072 0.000 1.013 933 E CB -0.731 29.095 29.700 0.211 0.000 0.978 933 E HN 0.804 nan 8.360 nan 0.000 0.479 934 G N -1.119 107.732 108.800 0.085 0.000 2.782 934 G HA2 -0.109 3.851 3.960 0.001 0.000 0.228 934 G HA3 -0.109 3.851 3.960 0.001 0.000 0.228 934 G C -0.320 174.661 174.900 0.135 0.000 1.372 934 G CA -0.051 45.107 45.100 0.097 0.000 0.862 934 G HN 1.318 nan 8.290 nan 0.000 0.547 935 V N -2.653 117.357 119.914 0.159 0.000 2.495 935 V HA 0.831 4.952 4.120 0.001 0.000 0.298 935 V C 0.671 176.823 176.094 0.096 0.000 1.031 935 V CA -0.531 61.863 62.300 0.158 0.000 0.871 935 V CB 1.644 33.560 31.823 0.156 0.000 0.988 935 V HN 1.129 nan 8.190 nan 0.000 0.432 936 R N 2.879 123.446 120.500 0.111 0.000 2.522 936 R HA 0.536 4.877 4.340 0.001 0.000 0.284 936 R C -1.129 175.026 176.300 -0.241 0.000 1.032 936 R CA 0.053 56.043 56.100 -0.184 0.000 1.049 936 R CB 0.874 31.108 30.300 -0.110 0.000 0.956 936 R HN 0.757 nan 8.270 nan 0.000 0.422 937 V N 4.291 123.937 119.914 -0.447 0.000 2.709 937 V HA 0.226 4.347 4.120 0.001 0.000 0.308 937 V C -1.033 174.897 176.094 -0.273 0.000 1.062 937 V CA -0.958 61.118 62.300 -0.373 0.000 0.901 937 V CB 2.305 33.811 31.823 -0.528 0.000 1.003 937 V HN 0.850 nan 8.190 nan 0.000 0.425 938 N N 3.026 121.666 118.700 -0.100 0.000 2.976 938 N HA 0.284 5.024 4.740 0.001 0.000 0.255 938 N C -0.476 175.051 175.510 0.029 0.000 1.312 938 N CA -0.455 52.587 53.050 -0.013 0.000 0.897 938 N CB 0.667 39.144 38.487 -0.016 0.000 1.184 938 N HN 0.474 nan 8.380 nan 0.000 0.497 939 K N 0.790 121.255 120.400 0.108 0.000 2.436 939 K HA 0.016 4.336 4.320 0.001 0.000 0.282 939 K C 0.427 177.038 176.600 0.019 0.000 1.044 939 K CA 0.303 56.636 56.287 0.077 0.000 1.028 939 K CB 0.353 32.927 32.500 0.125 0.000 0.919 939 K HN 0.324 nan 8.250 nan 0.000 0.474 940 T N 1.065 115.601 114.554 -0.031 0.000 2.749 940 T HA 0.168 4.518 4.350 0.001 0.000 0.295 940 T C 0.969 175.637 174.700 -0.053 0.000 0.936 940 T CA -0.807 61.261 62.100 -0.054 0.000 1.060 940 T CB 0.835 69.641 68.868 -0.103 0.000 0.904 940 T HN 0.236 nan 8.240 nan 0.000 0.500 941 V N 3.676 123.565 119.914 -0.042 0.000 3.125 941 V HA 0.523 4.644 4.120 0.001 0.000 0.249 941 V C 1.153 177.203 176.094 -0.074 0.000 1.113 941 V CA 0.983 63.252 62.300 -0.053 0.000 1.106 941 V CB -0.449 31.350 31.823 -0.041 0.000 0.768 941 V HN 1.157 nan 8.190 nan 0.000 0.468 942 A N -0.875 121.902 122.820 -0.072 0.000 2.608 942 A HA 0.742 5.062 4.320 0.001 0.000 0.292 942 A C -1.675 175.859 177.584 -0.084 0.000 1.066 942 A CA -0.370 51.616 52.037 -0.085 0.000 0.676 942 A CB 1.963 20.899 19.000 -0.106 0.000 1.277 942 A HN 0.056 nan 8.150 nan 0.000 0.413 943 V N 2.116 121.975 119.914 -0.093 0.000 2.737 943 V HA 0.663 4.784 4.120 0.001 0.000 0.298 943 V C -1.177 174.865 176.094 -0.086 0.000 1.163 943 V CA -0.797 61.440 62.300 -0.106 0.000 0.925 943 V CB 1.914 33.633 31.823 -0.173 0.000 1.037 943 V HN 0.973 nan 8.190 nan 0.000 0.433 944 R N 1.457 121.921 120.500 -0.059 0.000 2.698 944 R HA 0.607 4.947 4.340 0.001 0.000 0.275 944 R C -0.384 175.905 176.300 -0.018 0.000 1.001 944 R CA -0.655 55.423 56.100 -0.036 0.000 0.896 944 R CB 2.029 32.313 30.300 -0.027 0.000 1.218 944 R HN 0.806 nan 8.270 nan 0.000 0.462 945 T N 1.128 115.683 114.554 0.002 0.000 2.856 945 T HA 0.462 4.812 4.350 0.001 0.000 0.292 945 T C 0.118 174.840 174.700 0.037 0.000 0.980 945 T CA -0.519 61.594 62.100 0.022 0.000 1.091 945 T CB 0.319 69.213 68.868 0.043 0.000 0.936 945 T HN 0.361 nan 8.240 nan 0.000 0.503 946 L N 4.986 126.233 121.223 0.040 0.000 2.264 946 L HA 0.518 4.858 4.340 0.001 0.000 0.289 946 L C 0.375 177.283 176.870 0.063 0.000 1.044 946 L CA -0.592 54.276 54.840 0.046 0.000 0.807 946 L CB 0.758 42.842 42.059 0.041 0.000 1.192 946 L HN 0.715 nan 8.230 nan 0.000 0.425 947 N N 4.602 123.345 118.700 0.072 0.000 3.153 947 N HA 0.167 4.907 4.740 0.001 0.000 0.208 947 N C -2.437 173.126 175.510 0.088 0.000 1.462 947 N CA -1.035 52.069 53.050 0.090 0.000 0.754 947 N CB 1.498 40.059 38.487 0.122 0.000 1.558 947 N HN 0.048 nan 8.380 nan 0.000 0.605 948 P HA -0.161 nan 4.420 nan 0.000 0.215 948 P C 1.109 178.446 177.300 0.061 0.000 1.157 948 P CA 1.243 64.375 63.100 0.053 0.000 0.874 948 P CB 0.434 32.161 31.700 0.045 0.000 0.790 949 E N -1.430 118.816 120.200 0.076 0.000 2.130 949 E HA -0.292 4.058 4.350 0.001 0.000 0.196 949 E C 1.792 178.468 176.600 0.128 0.000 0.998 949 E CA 1.347 57.798 56.400 0.085 0.000 0.806 949 E CB -0.321 29.426 29.700 0.079 0.000 0.738 949 E HN 0.313 nan 8.360 nan 0.000 0.459 950 H N -1.335 117.751 119.070 0.027 0.000 2.648 950 H HA 0.259 4.815 4.556 0.001 0.000 0.265 950 H C 1.153 176.494 175.328 0.023 0.000 0.961 950 H CA 0.392 56.456 56.048 0.026 0.000 1.185 950 H CB 0.472 30.253 29.762 0.032 0.000 1.449 950 H HN 0.141 nan 8.280 nan 0.000 0.523 951 L N -0.592 120.608 121.223 -0.039 0.000 2.966 951 L HA 0.408 4.748 4.340 0.001 0.000 0.262 951 L C 1.098 177.938 176.870 -0.050 0.000 1.165 951 L CA 0.121 54.900 54.840 -0.102 0.000 0.978 951 L CB 0.910 42.947 42.059 -0.037 0.000 1.337 951 L HN 0.205 nan 8.230 nan 0.000 0.563 952 G N -0.140 108.649 108.800 -0.017 0.000 2.502 952 G HA2 0.447 4.407 3.960 0.001 0.000 0.305 952 G HA3 0.447 4.407 3.960 0.001 0.000 0.305 952 G C -0.671 174.221 174.900 -0.014 0.000 1.190 952 G CA -0.113 44.983 45.100 -0.007 0.000 0.933 952 G HN 0.009 nan 8.290 nan 0.000 0.503 953 Q N -0.297 119.499 119.800 -0.008 0.000 2.508 953 Q HA 0.521 4.862 4.340 0.001 0.000 0.247 953 Q C 0.475 176.475 176.000 0.000 0.000 1.047 953 Q CA 0.287 56.085 55.803 -0.008 0.000 0.783 953 Q CB 1.174 29.906 28.738 -0.010 0.000 1.172 953 Q HN 1.274 nan 8.270 nan 0.000 0.515 954 G N 0.644 109.446 108.800 0.004 0.000 2.131 954 G HA2 -0.043 3.918 3.960 0.001 0.000 0.201 954 G HA3 -0.043 3.918 3.960 0.001 0.000 0.201 954 G C 0.634 175.541 174.900 0.012 0.000 1.000 954 G CA 0.120 45.224 45.100 0.008 0.000 0.680 954 G HN 1.296 nan 8.290 nan 0.000 0.514 955 G N -2.291 106.518 108.800 0.014 0.000 2.147 955 G HA2 0.025 3.985 3.960 0.001 0.000 0.244 955 G HA3 0.025 3.985 3.960 0.001 0.000 0.244 955 G C 0.281 175.193 174.900 0.020 0.000 1.005 955 G CA 0.559 45.671 45.100 0.021 0.000 0.713 955 G HN 1.751 nan 8.290 nan 0.000 0.515 956 V N 1.154 121.077 119.914 0.015 0.000 2.266 956 V HA 0.382 4.502 4.120 0.001 0.000 0.266 956 V C 0.493 176.594 176.094 0.013 0.000 1.036 956 V CA -0.278 62.032 62.300 0.016 0.000 0.828 956 V CB 1.230 33.061 31.823 0.013 0.000 1.081 956 V HN 0.570 nan 8.190 nan 0.000 0.449 957 Q N 4.753 124.563 119.800 0.016 0.000 2.313 957 Q HA 0.405 4.746 4.340 0.001 0.000 0.266 957 Q C -0.274 175.734 176.000 0.013 0.000 0.989 957 Q CA -0.161 55.649 55.803 0.012 0.000 0.890 957 Q CB 0.672 29.422 28.738 0.019 0.000 1.200 957 Q HN 0.760 nan 8.270 nan 0.000 0.396 958 R N 3.181 123.684 120.500 0.005 0.000 2.502 958 R HA 0.422 4.763 4.340 0.001 0.000 0.298 958 R C -1.185 175.111 176.300 -0.007 0.000 1.018 958 R CA -0.881 55.222 56.100 0.006 0.000 0.899 958 R CB 1.442 31.744 30.300 0.004 0.000 1.181 958 R HN 0.487 nan 8.270 nan 0.000 0.444 959 E N 2.282 122.478 120.200 -0.006 0.000 2.179 959 E HA 0.206 4.557 4.350 0.001 0.000 0.275 959 E C -0.622 175.940 176.600 -0.065 0.000 0.945 959 E CA -0.751 55.630 56.400 -0.033 0.000 0.792 959 E CB 2.254 31.937 29.700 -0.028 0.000 1.125 959 E HN 0.389 nan 8.360 nan 0.000 0.397 960 E N 2.166 122.307 120.200 -0.099 0.000 2.092 960 E HA 0.286 4.636 4.350 0.001 0.000 0.271 960 E C -0.996 175.456 176.600 -0.246 0.000 0.919 960 E CA -0.706 55.604 56.400 -0.150 0.000 0.760 960 E CB 1.528 31.165 29.700 -0.106 0.000 1.106 960 E HN 0.157 nan 8.360 nan 0.000 0.408 961 V N 7.241 126.880 119.914 -0.459 0.000 2.481 961 V HA 0.369 4.490 4.120 0.001 0.000 0.286 961 V C -1.809 173.984 176.094 -0.501 0.000 1.042 961 V CA -1.340 60.603 62.300 -0.595 0.000 0.928 961 V CB 1.561 32.690 31.823 -1.156 0.000 0.986 961 V HN 0.580 nan 8.190 nan 0.000 0.462 962 P HA 0.510 nan 4.420 nan 0.000 0.310 962 P C -1.167 176.033 177.300 -0.165 0.000 1.309 962 P CA -0.730 62.246 63.100 -0.207 0.000 0.769 962 P CB 1.617 33.228 31.700 -0.148 0.000 1.327 963 A N -0.278 122.471 122.820 -0.118 0.000 2.306 963 A HA 0.626 4.947 4.320 0.001 0.000 0.314 963 A C 0.411 177.929 177.584 -0.110 0.000 1.164 963 A CA -0.544 51.435 52.037 -0.096 0.000 0.822 963 A CB -0.021 18.922 19.000 -0.094 0.000 1.130 963 A HN 0.627 nan 8.150 nan 0.000 0.496 964 A N 1.201 123.951 122.820 -0.117 0.000 2.429 964 A HA 0.374 4.694 4.320 0.001 0.000 0.242 964 A C 0.172 177.652 177.584 -0.174 0.000 1.088 964 A CA 0.360 52.313 52.037 -0.141 0.000 0.784 964 A CB -0.042 18.854 19.000 -0.174 0.000 1.038 964 A HN 0.842 nan 8.150 nan 0.000 0.501 965 D N 0.691 120.992 120.400 -0.164 0.000 2.564 965 D HA 0.358 4.998 4.640 0.001 0.000 0.226 965 D C -0.330 175.838 176.300 -0.220 0.000 1.149 965 D CA -0.014 53.892 54.000 -0.155 0.000 0.994 965 D CB -0.468 40.278 40.800 -0.090 0.000 1.029 965 D HN 0.367 nan 8.370 nan 0.000 0.517 966 L N 2.428 123.457 121.223 -0.324 0.000 2.727 966 L HA 0.161 4.502 4.340 0.001 0.000 0.237 966 L C 0.770 177.505 176.870 -0.226 0.000 1.370 966 L CA -0.256 54.325 54.840 -0.433 0.000 1.248 966 L CB -0.354 41.385 42.059 -0.535 0.000 1.556 966 L HN 0.321 nan 8.230 nan 0.000 0.420 967 S N -1.838 113.789 115.700 -0.121 0.000 2.552 967 S HA 0.122 4.593 4.470 0.001 0.000 0.246 967 S C 0.496 175.109 174.600 0.022 0.000 1.019 967 S CA -0.435 57.727 58.200 -0.063 0.000 1.045 967 S CB -0.158 63.003 63.200 -0.065 0.000 0.784 967 S HN 0.647 nan 8.310 nan 0.000 0.453 968 D N -0.026 120.424 120.400 0.085 0.000 2.619 968 D HA -0.052 4.588 4.640 0.001 0.000 0.300 968 D C 0.082 176.515 176.300 0.222 0.000 1.502 968 D CA -0.302 53.778 54.000 0.134 0.000 0.865 968 D CB -0.916 39.962 40.800 0.130 0.000 1.343 968 D HN 0.616 nan 8.370 nan 0.000 0.447 969 Q N 1.301 121.270 119.800 0.281 0.000 2.286 969 Q HA 0.346 4.686 4.340 0.001 0.000 0.267 969 Q C -0.090 176.069 176.000 0.265 0.000 1.028 969 Q CA -0.588 55.453 55.803 0.397 0.000 0.901 969 Q CB 1.467 30.446 28.738 0.403 0.000 1.183 969 Q HN -0.104 nan 8.270 nan 0.000 0.392 970 V N 6.643 126.642 119.914 0.142 0.000 2.555 970 V HA -0.111 4.009 4.120 0.001 0.000 0.299 970 V C -1.395 174.538 176.094 -0.267 0.000 1.012 970 V CA -0.481 61.755 62.300 -0.105 0.000 1.180 970 V CB -0.274 31.555 31.823 0.010 0.000 0.887 970 V HN 0.882 nan 8.190 nan 0.000 0.476 971 P HA -0.270 nan 4.420 nan 0.000 0.239 971 P C 0.878 177.671 177.300 -0.845 0.000 0.787 971 P CA 1.472 63.843 63.100 -1.214 0.000 1.114 971 P CB 0.029 30.894 31.700 -1.391 0.000 0.735 972 D N -0.826 119.293 120.400 -0.468 0.000 2.813 972 D HA 0.023 4.663 4.640 0.001 0.000 0.248 972 D C -0.137 176.138 176.300 -0.042 0.000 1.254 972 D CA 0.271 54.148 54.000 -0.205 0.000 0.921 972 D CB -1.042 39.706 40.800 -0.088 0.000 1.118 972 D HN 0.217 nan 8.370 nan 0.000 0.450 973 T N -3.392 111.178 114.554 0.027 0.000 2.942 973 T HA 0.579 4.930 4.350 0.001 0.000 0.289 973 T C 0.221 175.058 174.700 0.229 0.000 1.044 973 T CA -1.021 61.164 62.100 0.142 0.000 1.023 973 T CB 2.255 71.247 68.868 0.207 0.000 1.123 973 T HN -0.051 nan 8.240 nan 0.000 0.512 974 E N 0.241 120.572 120.200 0.218 0.000 2.259 974 E HA 0.662 5.013 4.350 0.001 0.000 0.257 974 E C -0.504 176.212 176.600 0.193 0.000 0.998 974 E CA -1.066 55.446 56.400 0.187 0.000 0.866 974 E CB 1.695 31.474 29.700 0.132 0.000 1.220 974 E HN 0.859 nan 8.360 nan 0.000 0.415 975 S N -0.093 115.687 115.700 0.134 0.000 2.595 975 S HA 0.565 5.036 4.470 0.001 0.000 0.281 975 S C -1.035 173.605 174.600 0.068 0.000 1.117 975 S CA -0.926 57.346 58.200 0.120 0.000 0.873 975 S CB 2.064 65.319 63.200 0.092 0.000 1.108 975 S HN 0.565 nan 8.310 nan 0.000 0.477 976 E N 0.692 120.927 120.200 0.058 0.000 2.313 976 E HA 0.375 4.725 4.350 0.001 0.000 0.280 976 E C -1.426 175.191 176.600 0.028 0.000 0.898 976 E CA -0.422 55.998 56.400 0.033 0.000 0.803 976 E CB 1.801 31.519 29.700 0.030 0.000 1.286 976 E HN 0.786 nan 8.360 nan 0.000 0.401 977 T N 3.801 118.365 114.554 0.017 0.000 2.743 977 T HA 0.314 4.664 4.350 0.001 0.000 0.292 977 T C -0.443 174.259 174.700 0.002 0.000 0.972 977 T CA -0.810 61.304 62.100 0.023 0.000 0.967 977 T CB 0.500 69.395 68.868 0.046 0.000 0.926 977 T HN 0.382 nan 8.240 nan 0.000 0.459 978 K N 5.756 126.158 120.400 0.003 0.000 2.234 978 K HA 0.402 4.722 4.320 0.001 0.000 0.277 978 K C -0.532 176.060 176.600 -0.014 0.000 1.038 978 K CA -0.718 55.558 56.287 -0.017 0.000 0.888 978 K CB 1.128 33.620 32.500 -0.014 0.000 1.091 978 K HN 0.614 nan 8.250 nan 0.000 0.467 979 I N 4.092 124.634 120.570 -0.046 0.000 2.315 979 I HA 0.192 4.363 4.170 0.001 0.000 0.291 979 I C -0.515 175.567 176.117 -0.058 0.000 1.006 979 I CA -1.049 60.229 61.300 -0.036 0.000 1.265 979 I CB 1.040 38.962 38.000 -0.129 0.000 1.387 979 I HN 0.489 nan 8.210 nan 0.000 0.475 980 L N 8.220 129.421 121.223 -0.037 0.000 2.365 980 L HA 0.620 4.961 4.340 0.001 0.000 0.273 980 L C -1.066 175.773 176.870 -0.051 0.000 1.000 980 L CA -0.254 54.553 54.840 -0.054 0.000 0.819 980 L CB 1.569 43.604 42.059 -0.039 0.000 1.284 980 L HN 0.419 nan 8.230 nan 0.000 0.418 981 L N 4.347 125.526 121.223 -0.073 0.000 2.334 981 L HA 0.632 4.972 4.340 0.001 0.000 0.273 981 L C -0.626 176.229 176.870 -0.026 0.000 1.013 981 L CA -0.710 54.100 54.840 -0.050 0.000 0.816 981 L CB 1.841 43.852 42.059 -0.079 0.000 1.278 981 L HN 0.612 nan 8.230 nan 0.000 0.431 982 Q N 0.091 119.890 119.800 -0.001 0.000 2.347 982 Q HA 0.321 4.662 4.340 0.001 0.000 0.271 982 Q C 0.661 176.687 176.000 0.044 0.000 1.064 982 Q CA -0.429 55.385 55.803 0.018 0.000 0.800 982 Q CB 2.531 31.276 28.738 0.011 0.000 1.304 982 Q HN 0.848 nan 8.270 nan 0.000 0.438 983 G N 1.111 109.951 108.800 0.066 0.000 2.408 983 G HA2 -0.125 3.835 3.960 0.001 0.000 0.217 983 G HA3 -0.125 3.835 3.960 0.001 0.000 0.217 983 G C 0.507 175.475 174.900 0.114 0.000 1.150 983 G CA 1.245 46.404 45.100 0.098 0.000 0.776 983 G HN 0.582 nan 8.290 nan 0.000 0.542 984 T N -3.254 111.366 114.554 0.110 0.000 2.916 984 T HA 0.580 4.930 4.350 0.001 0.000 0.292 984 T C -2.269 172.471 174.700 0.066 0.000 1.055 984 T CA -1.692 60.478 62.100 0.117 0.000 1.009 984 T CB 2.923 71.885 68.868 0.157 0.000 1.118 984 T HN -0.113 nan 8.240 nan 0.000 0.497 985 P HA 0.106 nan 4.420 nan 0.000 0.242 985 P C 0.772 178.046 177.300 -0.043 0.000 1.197 985 P CA 0.054 63.162 63.100 0.014 0.000 0.765 985 P CB 0.212 31.928 31.700 0.028 0.000 0.936 986 V N -1.206 118.673 119.914 -0.057 0.000 3.427 986 V HA 0.310 4.431 4.120 0.001 0.000 0.305 986 V C 2.074 178.101 176.094 -0.112 0.000 1.412 986 V CA 0.779 62.974 62.300 -0.175 0.000 1.086 986 V CB -0.320 31.369 31.823 -0.225 0.000 0.964 986 V HN 0.007 nan 8.190 nan 0.000 0.439 987 A N -0.061 122.749 122.820 -0.016 0.000 1.849 987 A HA -0.289 4.031 4.320 0.001 0.000 0.217 987 A C 2.087 179.683 177.584 0.020 0.000 1.202 987 A CA 2.371 54.435 52.037 0.045 0.000 0.629 987 A CB -0.736 18.294 19.000 0.049 0.000 0.834 987 A HN 0.555 nan 8.150 nan 0.000 0.447 988 Q N -0.471 119.314 119.800 -0.025 0.000 1.985 988 Q HA -0.234 4.107 4.340 0.001 0.000 0.207 988 Q C 2.233 178.197 176.000 -0.061 0.000 0.996 988 Q CA 2.425 58.212 55.803 -0.027 0.000 0.851 988 Q CB -0.376 28.340 28.738 -0.037 0.000 0.921 988 Q HN 0.702 nan 8.270 nan 0.000 0.418 989 M N 0.398 119.879 119.600 -0.198 0.000 2.089 989 M HA -0.221 4.259 4.480 0.001 0.000 0.257 989 M C 2.367 178.596 176.300 -0.118 0.000 1.071 989 M CA 2.620 57.725 55.300 -0.324 0.000 1.096 989 M CB -0.681 31.272 32.600 -1.078 0.000 1.330 989 M HN 0.439 nan 8.290 nan 0.000 0.403 990 T N -1.976 112.543 114.554 -0.058 0.000 2.652 990 T HA -0.219 4.131 4.350 0.001 0.000 0.267 990 T C 1.543 176.296 174.700 0.089 0.000 1.039 990 T CA 1.569 63.779 62.100 0.184 0.000 1.153 990 T CB -0.670 68.359 68.868 0.268 0.000 0.863 990 T HN 0.480 nan 8.240 nan 0.000 0.428 991 E N 0.829 121.087 120.200 0.096 0.000 2.510 991 E HA -0.126 4.225 4.350 0.001 0.000 0.202 991 E C 0.675 177.324 176.600 0.083 0.000 1.072 991 E CA 0.584 57.053 56.400 0.116 0.000 0.883 991 E CB -0.042 29.782 29.700 0.207 0.000 0.818 991 E HN 0.516 nan 8.360 nan 0.000 0.548 992 D N -1.582 118.865 120.400 0.079 0.000 2.473 992 D HA 0.142 4.782 4.640 0.001 0.000 0.230 992 D C 1.281 177.653 176.300 0.120 0.000 1.097 992 D CA 0.529 54.584 54.000 0.091 0.000 0.861 992 D CB 0.328 41.179 40.800 0.085 0.000 1.114 992 D HN 0.149 nan 8.370 nan 0.000 0.500 993 A N 0.240 123.152 122.820 0.154 0.000 2.067 993 A HA 0.055 4.375 4.320 0.001 0.000 0.217 993 A C 1.942 179.587 177.584 0.102 0.000 1.156 993 A CA 0.615 52.758 52.037 0.177 0.000 0.683 993 A CB -0.401 18.760 19.000 0.268 0.000 0.808 993 A HN 0.187 nan 8.150 nan 0.000 0.455 994 I N -0.713 119.892 120.570 0.058 0.000 2.494 994 I HA -0.038 4.132 4.170 0.001 0.000 0.250 994 I C 0.646 176.787 176.117 0.040 0.000 1.112 994 I CA 0.191 61.504 61.300 0.022 0.000 1.438 994 I CB -0.108 37.847 38.000 -0.074 0.000 1.111 994 I HN 0.178 nan 8.210 nan 0.000 0.431 995 D N 1.848 122.278 120.400 0.051 0.000 2.401 995 D HA -0.013 4.627 4.640 0.001 0.000 0.254 995 D C 1.222 177.561 176.300 0.065 0.000 1.192 995 D CA 0.429 54.464 54.000 0.058 0.000 0.885 995 D CB 1.743 42.580 40.800 0.061 0.000 1.147 995 D HN 0.227 nan 8.370 nan 0.000 0.478 996 G N 3.816 112.650 108.800 0.057 0.000 2.469 996 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 996 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 996 G C 1.339 176.281 174.900 0.071 0.000 1.136 996 G CA 0.883 46.019 45.100 0.059 0.000 0.759 996 G HN 0.539 nan 8.290 nan 0.000 0.562 997 E N -0.189 120.047 120.200 0.060 0.000 2.251 997 E HA 0.103 4.453 4.350 0.001 0.000 0.194 997 E C 2.586 179.234 176.600 0.079 0.000 0.964 997 E CA 0.020 56.460 56.400 0.066 0.000 0.868 997 E CB -0.039 29.675 29.700 0.024 0.000 0.828 997 E HN 0.112 nan 8.360 nan 0.000 0.481 998 R N 0.467 120.998 120.500 0.052 0.000 2.152 998 R HA -0.094 4.247 4.340 0.001 0.000 0.232 998 R C 2.369 178.755 176.300 0.143 0.000 1.117 998 R CA 0.863 56.997 56.100 0.056 0.000 0.981 998 R CB -0.850 29.477 30.300 0.046 0.000 0.870 998 R HN 0.302 nan 8.270 nan 0.000 0.451 999 L N 1.777 123.089 121.223 0.148 0.000 1.970 999 L HA -0.194 4.147 4.340 0.001 0.000 0.212 999 L C 1.994 178.988 176.870 0.207 0.000 1.071 999 L CA 1.898 56.841 54.840 0.172 0.000 0.751 999 L CB -0.338 41.810 42.059 0.148 0.000 0.889 999 L HN -0.095 nan 8.230 nan 0.000 0.432 1000 K N -0.478 120.054 120.400 0.220 0.000 2.242 1000 K HA -0.239 4.081 4.320 0.001 0.000 0.206 1000 K C 1.586 178.257 176.600 0.118 0.000 1.045 1000 K CA 1.606 58.007 56.287 0.189 0.000 0.930 1000 K CB -0.792 31.828 32.500 0.199 0.000 0.726 1000 K HN 0.588 nan 8.250 nan 0.000 0.462 1001 H N -0.412 118.705 119.070 0.079 0.000 2.517 1001 H HA 0.212 4.769 4.556 0.001 0.000 0.282 1001 H C 1.627 176.990 175.328 0.059 0.000 1.023 1001 H CA -0.070 56.014 56.048 0.060 0.000 1.169 1001 H CB -0.003 29.787 29.762 0.047 0.000 1.454 1001 H HN -0.000 nan 8.280 nan 0.000 0.556 1002 L N -0.422 120.899 121.223 0.163 0.000 2.007 1002 L HA -0.004 4.337 4.340 0.001 0.000 0.205 1002 L C 0.542 177.453 176.870 0.069 0.000 1.073 1002 L CA 0.597 55.516 54.840 0.131 0.000 0.744 1002 L CB -0.164 42.000 42.059 0.175 0.000 0.898 1002 L HN 0.195 nan 8.230 nan 0.000 0.435 1003 I N -0.301 120.296 120.570 0.045 0.000 2.892 1003 I HA -0.172 3.998 4.170 0.001 0.000 0.287 1003 I C 1.192 177.263 176.117 -0.077 0.000 1.205 1003 I CA 0.991 62.267 61.300 -0.041 0.000 1.409 1003 I CB 0.586 38.585 38.000 -0.002 0.000 1.367 1003 I HN 0.177 nan 8.210 nan 0.000 0.597 1004 Q N 1.690 121.398 119.800 -0.153 0.000 2.189 1004 Q HA 0.131 4.472 4.340 0.001 0.000 0.223 1004 Q C -0.142 175.734 176.000 -0.206 0.000 0.828 1004 Q CA 0.001 55.705 55.803 -0.165 0.000 0.967 1004 Q CB 0.507 29.140 28.738 -0.175 0.000 1.139 1004 Q HN 0.884 nan 8.270 nan 0.000 0.497 1005 T N -0.714 113.702 114.554 -0.230 0.000 2.944 1005 T HA 0.572 4.923 4.350 0.001 0.000 0.284 1005 T C -2.515 172.217 174.700 0.054 0.000 1.010 1005 T CA -1.864 60.127 62.100 -0.182 0.000 1.025 1005 T CB 1.473 70.025 68.868 -0.527 0.000 1.079 1005 T HN -0.062 nan 8.240 nan 0.000 0.516 1006 P HA 0.244 nan 4.420 nan 0.000 0.277 1006 P C 0.054 177.563 177.300 0.347 0.000 1.240 1006 P CA -0.427 62.807 63.100 0.224 0.000 0.798 1006 P CB 1.176 32.984 31.700 0.180 0.000 0.979 1007 S N 0.595 116.457 115.700 0.269 0.000 2.397 1007 S HA 0.571 5.041 4.470 0.001 0.000 0.261 1007 S C 1.049 175.794 174.600 0.242 0.000 1.151 1007 S CA 0.196 58.541 58.200 0.242 0.000 1.022 1007 S CB -0.878 62.438 63.200 0.193 0.000 1.187 1007 S HN 0.815 nan 8.310 nan 0.000 0.473 1008 G N -0.090 108.808 108.800 0.163 0.000 2.212 1008 G HA2 -0.139 3.821 3.960 0.001 0.000 0.255 1008 G HA3 -0.139 3.821 3.960 0.001 0.000 0.255 1008 G C 0.197 175.090 174.900 -0.013 0.000 1.062 1008 G CA 0.172 45.360 45.100 0.147 0.000 0.815 1008 G HN 1.961 nan 8.290 nan 0.000 0.497 1009 C N -2.555 116.657 119.300 -0.146 0.000 3.239 1009 C HA 0.836 5.297 4.460 0.001 0.000 0.329 1009 C C 2.043 176.499 174.990 -0.890 0.000 1.252 1009 C CA 0.191 58.904 59.018 -0.507 0.000 1.323 1009 C CB 1.355 28.727 27.740 -0.613 0.000 1.663 1009 C HN 1.781 nan 8.230 nan 0.000 0.487 1010 G N 1.337 109.442 108.800 -1.158 0.000 2.853 1010 G HA2 -0.352 3.608 3.960 0.001 0.000 0.234 1010 G HA3 -0.352 3.608 3.960 0.001 0.000 0.234 1010 G C 1.288 175.779 174.900 -0.681 0.000 1.198 1010 G CA 1.864 46.289 45.100 -1.125 0.000 0.767 1010 G HN 1.110 nan 8.290 nan 0.000 0.657 1011 E N 0.619 120.649 120.200 -0.284 0.000 2.008 1011 E HA -0.134 4.216 4.350 0.001 0.000 0.191 1011 E C 2.858 179.484 176.600 0.044 0.000 0.986 1011 E CA 1.580 57.964 56.400 -0.028 0.000 0.807 1011 E CB -0.506 29.304 29.700 0.183 0.000 0.766 1011 E HN 0.639 nan 8.360 nan 0.000 0.450 1012 Q N 0.714 120.530 119.800 0.026 0.000 2.224 1012 Q HA -0.242 4.098 4.340 0.001 0.000 0.213 1012 Q C 1.892 177.993 176.000 0.169 0.000 0.998 1012 Q CA 2.038 57.927 55.803 0.143 0.000 0.895 1012 Q CB -0.587 28.156 28.738 0.008 0.000 0.926 1012 Q HN 0.241 nan 8.270 nan 0.000 0.417 1013 N N -0.320 118.381 118.700 0.001 0.000 2.519 1013 N HA -0.103 4.638 4.740 0.001 0.000 0.186 1013 N C 1.054 176.624 175.510 0.100 0.000 1.062 1013 N CA 0.679 53.764 53.050 0.057 0.000 0.910 1013 N CB 0.057 38.547 38.487 0.005 0.000 0.958 1013 N HN 0.159 nan 8.380 nan 0.000 0.445 1014 M N 0.238 119.898 119.600 0.100 0.000 2.629 1014 M HA -0.059 4.422 4.480 0.001 0.000 0.257 1014 M C 1.775 178.023 176.300 -0.087 0.000 1.071 1014 M CA 0.550 55.862 55.300 0.021 0.000 1.077 1014 M CB -0.877 31.770 32.600 0.078 0.000 1.423 1014 M HN 0.391 nan 8.290 nan 0.000 0.508 1015 I N -0.053 120.607 120.570 0.150 0.000 2.567 1015 I HA -0.161 4.010 4.170 0.001 0.000 0.257 1015 I C 1.834 178.012 176.117 0.102 0.000 1.184 1015 I CA 1.137 62.575 61.300 0.230 0.000 1.451 1015 I CB -0.234 38.003 38.000 0.396 0.000 1.089 1015 I HN 0.262 nan 8.210 nan 0.000 0.441 1016 G N 0.107 108.961 108.800 0.090 0.000 2.848 1016 G HA2 -0.007 3.954 3.960 0.001 0.000 0.208 1016 G HA3 -0.007 3.954 3.960 0.001 0.000 0.208 1016 G C 1.189 176.118 174.900 0.048 0.000 1.152 1016 G CA 0.286 45.437 45.100 0.085 0.000 0.789 1016 G HN 0.425 nan 8.290 nan 0.000 0.531 1017 M N -1.555 118.033 119.600 -0.021 0.000 2.146 1017 M HA 0.057 4.538 4.480 0.001 0.000 0.194 1017 M C 2.452 178.668 176.300 -0.140 0.000 1.652 1017 M CA 0.659 55.930 55.300 -0.048 0.000 0.986 1017 M CB -0.045 32.557 32.600 0.005 0.000 1.496 1017 M HN 0.022 nan 8.290 nan 0.000 0.576 1018 T N 2.069 116.441 114.554 -0.303 0.000 2.635 1018 T HA -0.114 4.236 4.350 0.001 0.000 0.267 1018 T C -1.131 173.407 174.700 -0.270 0.000 1.040 1018 T CA 1.704 63.572 62.100 -0.386 0.000 1.156 1018 T CB -1.696 66.717 68.868 -0.758 0.000 0.863 1018 T HN 0.173 nan 8.240 nan 0.000 0.430 1019 P HA -0.027 nan 4.420 nan 0.000 0.216 1019 P C 1.655 178.929 177.300 -0.043 0.000 1.153 1019 P CA 1.243 64.339 63.100 -0.007 0.000 0.848 1019 P CB -0.359 31.511 31.700 0.283 0.000 0.787 1020 T N -0.833 113.719 114.554 -0.003 0.000 2.821 1020 T HA -0.084 4.266 4.350 0.001 0.000 0.267 1020 T C 1.882 176.556 174.700 -0.043 0.000 1.046 1020 T CA 1.031 63.136 62.100 0.008 0.000 1.139 1020 T CB -1.182 67.696 68.868 0.018 0.000 0.871 1020 T HN -0.110 nan 8.240 nan 0.000 0.454 1021 V N 2.508 122.373 119.914 -0.083 0.000 2.407 1021 V HA -0.099 4.022 4.120 0.001 0.000 0.248 1021 V C 2.314 178.385 176.094 -0.039 0.000 1.055 1021 V CA 1.574 63.819 62.300 -0.091 0.000 1.049 1021 V CB -0.710 31.074 31.823 -0.065 0.000 0.662 1021 V HN 0.676 nan 8.190 nan 0.000 0.455 1022 I N -2.003 118.494 120.570 -0.122 0.000 3.793 1022 I HA 0.263 4.433 4.170 0.001 0.000 0.315 1022 I C 1.974 178.016 176.117 -0.124 0.000 1.275 1022 I CA 1.039 62.243 61.300 -0.160 0.000 1.214 1022 I CB -0.226 37.510 38.000 -0.440 0.000 1.018 1022 I HN 0.096 nan 8.210 nan 0.000 0.439 1023 A N 1.188 123.981 122.820 -0.045 0.000 1.943 1023 A HA 0.120 4.440 4.320 0.001 0.000 0.213 1023 A C 2.228 179.838 177.584 0.043 0.000 1.181 1023 A CA 0.996 53.107 52.037 0.123 0.000 0.653 1023 A CB -0.604 18.485 19.000 0.148 0.000 0.833 1023 A HN 0.269 nan 8.150 nan 0.000 0.451 1024 V N -0.110 119.829 119.914 0.042 0.000 2.216 1024 V HA -0.300 3.820 4.120 0.001 0.000 0.243 1024 V C 2.277 178.455 176.094 0.140 0.000 1.044 1024 V CA 2.438 64.825 62.300 0.144 0.000 0.995 1024 V CB -1.265 30.629 31.823 0.117 0.000 0.633 1024 V HN 0.732 nan 8.190 nan 0.000 0.446 1025 H N -1.779 117.359 119.070 0.113 0.000 2.362 1025 H HA -0.300 4.257 4.556 0.001 0.000 0.294 1025 H C 2.117 177.507 175.328 0.104 0.000 1.113 1025 H CA 2.588 58.696 56.048 0.098 0.000 1.253 1025 H CB -0.216 29.576 29.762 0.049 0.000 1.363 1025 H HN 0.565 nan 8.280 nan 0.000 0.494 1026 Y N 1.197 121.545 120.300 0.080 0.000 2.070 1026 Y HA -0.213 4.337 4.550 0.001 0.000 0.279 1026 Y C 2.188 178.045 175.900 -0.073 0.000 1.134 1026 Y CA 1.467 59.576 58.100 0.016 0.000 1.113 1026 Y CB -0.829 37.643 38.460 0.021 0.000 0.981 1026 Y HN 0.089 nan 8.280 nan 0.000 0.487 1027 L N 0.281 121.112 121.223 -0.654 0.000 2.129 1027 L HA -0.259 4.082 4.340 0.001 0.000 0.212 1027 L C 2.190 178.707 176.870 -0.589 0.000 1.087 1027 L CA 1.446 55.658 54.840 -1.047 0.000 0.757 1027 L CB -0.672 40.320 42.059 -1.779 0.000 0.896 1027 L HN 0.292 nan 8.230 nan 0.000 0.434 1028 D N -0.633 119.697 120.400 -0.115 0.000 2.081 1028 D HA -0.207 4.434 4.640 0.001 0.000 0.194 1028 D C 2.292 178.664 176.300 0.121 0.000 0.986 1028 D CA 1.742 55.925 54.000 0.304 0.000 0.837 1028 D CB -0.276 40.717 40.800 0.321 0.000 0.985 1028 D HN 0.096 nan 8.370 nan 0.000 0.448 1029 S N -0.414 115.338 115.700 0.086 0.000 2.423 1029 S HA -0.184 4.287 4.470 0.001 0.000 0.238 1029 S C 1.726 176.352 174.600 0.045 0.000 1.028 1029 S CA 2.293 60.542 58.200 0.081 0.000 1.000 1029 S CB -0.303 62.971 63.200 0.124 0.000 0.797 1029 S HN 0.461 nan 8.310 nan 0.000 0.487 1030 T N -2.670 111.848 114.554 -0.060 0.000 3.054 1030 T HA 0.245 4.596 4.350 0.001 0.000 0.255 1030 T C 0.180 174.904 174.700 0.040 0.000 1.035 1030 T CA 0.543 62.625 62.100 -0.030 0.000 0.941 1030 T CB -0.344 68.409 68.868 -0.190 0.000 1.026 1030 T HN 0.280 nan 8.240 nan 0.000 0.533 1031 D N 1.565 121.997 120.400 0.053 0.000 2.904 1031 D HA -0.163 4.477 4.640 0.001 0.000 0.231 1031 D C 0.566 176.936 176.300 0.117 0.000 1.185 1031 D CA 0.677 54.755 54.000 0.131 0.000 0.783 1031 D CB -0.915 39.969 40.800 0.140 0.000 0.961 1031 D HN 0.658 nan 8.370 nan 0.000 0.409 1032 Q N -0.387 119.433 119.800 0.033 0.000 2.164 1032 Q HA 0.058 4.398 4.340 0.001 0.000 0.226 1032 Q C 1.306 177.363 176.000 0.095 0.000 0.813 1032 Q CA -0.531 55.270 55.803 -0.003 0.000 0.978 1032 Q CB 0.362 29.044 28.738 -0.092 0.000 1.149 1032 Q HN 0.545 nan 8.270 nan 0.000 0.489 1033 W N 3.156 124.527 121.300 0.118 0.000 2.387 1033 W HA -0.183 4.477 4.660 0.001 0.000 0.272 1033 W C 1.693 178.307 176.519 0.158 0.000 1.224 1033 W CA 1.800 59.273 57.345 0.213 0.000 1.210 1033 W CB 0.006 29.521 29.460 0.091 0.000 1.125 1033 W HN 0.412 nan 8.180 nan 0.000 0.572 1034 E N 0.594 120.943 120.200 0.249 0.000 2.233 1034 E HA -0.286 4.064 4.350 0.001 0.000 0.199 1034 E C 1.908 178.510 176.600 0.004 0.000 1.004 1034 E CA 1.329 57.786 56.400 0.095 0.000 0.819 1034 E CB -0.703 29.005 29.700 0.013 0.000 0.738 1034 E HN 0.138 nan 8.360 nan 0.000 0.478 1035 K N 0.832 121.178 120.400 -0.090 0.000 2.103 1035 K HA -0.022 4.298 4.320 0.001 0.000 0.204 1035 K C 0.213 176.594 176.600 -0.366 0.000 1.052 1035 K CA 0.474 56.554 56.287 -0.345 0.000 0.945 1035 K CB -0.038 32.072 32.500 -0.649 0.000 0.722 1035 K HN 0.051 nan 8.250 nan 0.000 0.443 1036 F N 0.597 120.575 119.950 0.048 0.000 2.411 1036 F HA 0.409 4.936 4.527 0.001 0.000 0.324 1036 F C 1.410 177.270 175.800 0.100 0.000 1.086 1036 F CA -0.664 57.387 58.000 0.085 0.000 1.028 1036 F CB -0.007 39.080 39.000 0.145 0.000 1.284 1036 F HN -0.035 nan 8.300 nan 0.000 0.501 1037 G N 0.495 109.467 108.800 0.286 0.000 2.647 1037 G HA2 0.139 4.099 3.960 0.001 0.000 0.234 1037 G HA3 0.139 4.099 3.960 0.001 0.000 0.234 1037 G C 0.830 175.824 174.900 0.155 0.000 1.252 1037 G CA -0.477 44.722 45.100 0.164 0.000 0.846 1037 G HN 0.745 nan 8.290 nan 0.000 0.589 1038 L N 0.729 121.998 121.223 0.076 0.000 2.042 1038 L HA -0.126 4.214 4.340 0.001 0.000 0.210 1038 L C 2.795 179.650 176.870 -0.025 0.000 1.076 1038 L CA 1.753 56.606 54.840 0.021 0.000 0.749 1038 L CB -0.576 41.482 42.059 -0.002 0.000 0.893 1038 L HN 0.575 nan 8.230 nan 0.000 0.432 1039 E N -0.018 120.182 120.200 -0.000 0.000 2.110 1039 E HA -0.188 4.163 4.350 0.001 0.000 0.193 1039 E C 1.914 178.503 176.600 -0.018 0.000 0.988 1039 E CA 0.608 56.997 56.400 -0.018 0.000 0.804 1039 E CB -0.392 29.311 29.700 0.005 0.000 0.745 1039 E HN 0.176 nan 8.360 nan 0.000 0.458 1040 K N 0.692 121.122 120.400 0.049 0.000 2.148 1040 K HA -0.269 4.052 4.320 0.001 0.000 0.213 1040 K C 2.122 178.751 176.600 0.049 0.000 1.050 1040 K CA 1.881 58.225 56.287 0.096 0.000 0.932 1040 K CB -0.356 32.287 32.500 0.238 0.000 0.717 1040 K HN 0.216 nan 8.250 nan 0.000 0.462 1041 R N 0.503 120.910 120.500 -0.155 0.000 2.057 1041 R HA -0.153 4.187 4.340 0.001 0.000 0.229 1041 R C 2.411 178.598 176.300 -0.189 0.000 1.136 1041 R CA 1.578 57.481 56.100 -0.328 0.000 0.952 1041 R CB -0.154 29.567 30.300 -0.966 0.000 0.848 1041 R HN 0.045 nan 8.270 nan 0.000 0.430 1042 Q N 1.016 120.710 119.800 -0.177 0.000 2.084 1042 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 1042 Q C 1.584 177.551 176.000 -0.055 0.000 0.978 1042 Q CA 2.049 57.784 55.803 -0.113 0.000 0.844 1042 Q CB -0.024 28.656 28.738 -0.098 0.000 0.898 1042 Q HN 0.427 nan 8.270 nan 0.000 0.426 1043 E N -0.429 119.752 120.200 -0.030 0.000 2.118 1043 E HA -0.174 4.176 4.350 0.001 0.000 0.195 1043 E C 1.888 178.494 176.600 0.010 0.000 0.992 1043 E CA 1.482 57.882 56.400 0.000 0.000 0.804 1043 E CB -0.117 29.594 29.700 0.018 0.000 0.741 1043 E HN 0.541 nan 8.360 nan 0.000 0.458 1044 S N 0.724 116.432 115.700 0.013 0.000 2.425 1044 S HA -0.011 4.459 4.470 0.001 0.000 0.225 1044 S C 2.045 176.648 174.600 0.004 0.000 1.024 1044 S CA 0.187 58.402 58.200 0.026 0.000 0.951 1044 S CB -0.343 62.893 63.200 0.059 0.000 0.796 1044 S HN 0.109 nan 8.310 nan 0.000 0.498 1045 L N 1.276 122.483 121.223 -0.026 0.000 2.353 1045 L HA -0.029 4.312 4.340 0.001 0.000 0.220 1045 L C 2.737 179.591 176.870 -0.027 0.000 1.133 1045 L CA 1.000 55.810 54.840 -0.050 0.000 0.798 1045 L CB -0.371 41.636 42.059 -0.086 0.000 0.922 1045 L HN 0.278 nan 8.230 nan 0.000 0.445 1046 E N -0.089 120.109 120.200 -0.004 0.000 2.051 1046 E HA -0.100 4.251 4.350 0.001 0.000 0.189 1046 E C 2.358 178.981 176.600 0.039 0.000 0.979 1046 E CA 0.841 57.255 56.400 0.023 0.000 0.803 1046 E CB -0.261 29.456 29.700 0.028 0.000 0.761 1046 E HN 0.440 nan 8.360 nan 0.000 0.451 1047 L N 0.960 122.203 121.223 0.034 0.000 2.021 1047 L HA -0.229 4.111 4.340 0.001 0.000 0.215 1047 L C 2.587 179.486 176.870 0.049 0.000 1.074 1047 L CA 1.234 56.102 54.840 0.045 0.000 0.760 1047 L CB -0.611 41.474 42.059 0.045 0.000 0.889 1047 L HN 0.112 nan 8.230 nan 0.000 0.433 1048 I N -0.679 119.905 120.570 0.024 0.000 2.208 1048 I HA -0.310 3.861 4.170 0.001 0.000 0.245 1048 I C 2.780 178.920 176.117 0.039 0.000 1.097 1048 I CA 1.352 62.657 61.300 0.009 0.000 1.363 1048 I CB -0.444 37.529 38.000 -0.045 0.000 1.051 1048 I HN 0.254 nan 8.210 nan 0.000 0.413 1049 R N 0.930 121.456 120.500 0.044 0.000 2.070 1049 R HA -0.197 4.143 4.340 0.001 0.000 0.233 1049 R C 2.389 178.799 176.300 0.184 0.000 1.137 1049 R CA 1.507 57.668 56.100 0.101 0.000 0.945 1049 R CB -0.405 29.949 30.300 0.090 0.000 0.845 1049 R HN 0.290 nan 8.270 nan 0.000 0.430 1050 K N 0.336 120.824 120.400 0.148 0.000 2.044 1050 K HA -0.168 4.152 4.320 0.001 0.000 0.210 1050 K C 2.107 178.800 176.600 0.155 0.000 1.049 1050 K CA 1.861 58.236 56.287 0.147 0.000 0.927 1050 K CB -0.389 32.164 32.500 0.087 0.000 0.713 1050 K HN 0.293 nan 8.250 nan 0.000 0.443 1051 G N -0.007 108.880 108.800 0.144 0.000 2.418 1051 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 1051 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 1051 G C 1.372 176.406 174.900 0.224 0.000 1.158 1051 G CA 0.963 46.159 45.100 0.160 0.000 0.771 1051 G HN 0.440 nan 8.290 nan 0.000 0.545 1052 Y N 2.227 122.560 120.300 0.055 0.000 2.128 1052 Y HA -0.163 4.387 4.550 0.001 0.000 0.284 1052 Y C 3.073 179.031 175.900 0.096 0.000 1.154 1052 Y CA 2.004 60.102 58.100 -0.005 0.000 1.149 1052 Y CB -0.656 37.710 38.460 -0.157 0.000 0.976 1052 Y HN 0.212 nan 8.280 nan 0.000 0.505 1053 T N 0.696 115.323 114.554 0.122 0.000 2.622 1053 T HA -0.257 4.093 4.350 0.001 0.000 0.266 1053 T C 1.812 176.590 174.700 0.130 0.000 1.047 1053 T CA 1.956 64.133 62.100 0.130 0.000 1.159 1053 T CB -0.384 68.681 68.868 0.328 0.000 0.863 1053 T HN 0.444 nan 8.240 nan 0.000 0.422 1054 Q N 0.455 120.352 119.800 0.162 0.000 2.014 1054 Q HA -0.215 4.125 4.340 0.001 0.000 0.207 1054 Q C 2.542 178.688 176.000 0.244 0.000 0.993 1054 Q CA 1.632 57.536 55.803 0.169 0.000 0.850 1054 Q CB -0.312 28.530 28.738 0.172 0.000 0.916 1054 Q HN 0.349 nan 8.270 nan 0.000 0.417 1055 Q N 0.487 120.467 119.800 0.299 0.000 2.297 1055 Q HA -0.144 4.196 4.340 0.001 0.000 0.208 1055 Q C 1.571 177.859 176.000 0.481 0.000 0.981 1055 Q CA 0.868 56.931 55.803 0.433 0.000 0.876 1055 Q CB -0.117 28.862 28.738 0.402 0.000 0.921 1055 Q HN 0.209 nan 8.270 nan 0.000 0.446 1056 L N -0.591 120.773 121.223 0.235 0.000 2.376 1056 L HA 0.135 4.476 4.340 0.001 0.000 0.219 1056 L C 1.859 178.763 176.870 0.056 0.000 1.133 1056 L CA 1.421 56.333 54.840 0.119 0.000 0.816 1056 L CB -1.166 40.787 42.059 -0.176 0.000 0.933 1056 L HN 0.271 nan 8.230 nan 0.000 0.449 1057 A N -1.365 121.478 122.820 0.038 0.000 2.019 1057 A HA -0.179 4.141 4.320 0.001 0.000 0.219 1057 A C 1.875 179.277 177.584 -0.303 0.000 1.164 1057 A CA 1.319 53.253 52.037 -0.172 0.000 0.644 1057 A CB -0.792 18.028 19.000 -0.299 0.000 0.805 1057 A HN 0.387 nan 8.150 nan 0.000 0.449 1058 F N -0.334 119.625 119.950 0.014 0.000 2.811 1058 F HA 0.162 4.689 4.527 0.001 0.000 0.301 1058 F C 1.224 176.920 175.800 -0.172 0.000 1.151 1058 F CA 0.106 58.104 58.000 -0.003 0.000 1.412 1058 F CB -0.059 39.007 39.000 0.111 0.000 1.113 1058 F HN 0.067 nan 8.300 nan 0.000 0.579 1059 R N 2.064 122.417 120.500 -0.246 0.000 2.449 1059 R HA 0.056 4.396 4.340 0.001 0.000 0.296 1059 R C 0.136 176.149 176.300 -0.478 0.000 1.047 1059 R CA 0.062 55.663 56.100 -0.831 0.000 1.018 1059 R CB 0.370 30.291 30.300 -0.631 0.000 0.962 1059 R HN 0.285 nan 8.270 nan 0.000 0.428 1060 Q N 2.805 122.310 119.800 -0.493 0.000 2.237 1060 Q HA 0.071 4.412 4.340 0.001 0.000 0.219 1060 Q C 0.839 176.670 176.000 -0.283 0.000 0.999 1060 Q CA -0.639 54.988 55.803 -0.293 0.000 0.959 1060 Q CB 1.079 29.674 28.738 -0.238 0.000 1.173 1060 Q HN 0.509 nan 8.270 nan 0.000 0.527 1061 K N 0.203 120.491 120.400 -0.187 0.000 2.044 1061 K HA -0.160 4.160 4.320 0.001 0.000 0.210 1061 K C 1.587 178.088 176.600 -0.165 0.000 1.049 1061 K CA 1.864 58.061 56.287 -0.151 0.000 0.927 1061 K CB -0.326 32.118 32.500 -0.094 0.000 0.713 1061 K HN 0.531 nan 8.250 nan 0.000 0.443 1062 S N 0.397 115.982 115.700 -0.190 0.000 2.942 1062 S HA 0.148 4.619 4.470 0.001 0.000 0.244 1062 S C 0.153 174.563 174.600 -0.318 0.000 1.011 1062 S CA 0.073 58.157 58.200 -0.193 0.000 1.102 1062 S CB -0.471 62.641 63.200 -0.147 0.000 0.812 1062 S HN 0.199 nan 8.310 nan 0.000 0.486 1063 S N -0.599 114.924 115.700 -0.295 0.000 3.225 1063 S HA -0.217 4.253 4.470 0.001 0.000 0.308 1063 S C 0.692 175.046 174.600 -0.409 0.000 1.270 1063 S CA 0.846 58.877 58.200 -0.281 0.000 1.011 1063 S CB -1.935 61.213 63.200 -0.086 0.000 1.138 1063 S HN 1.224 nan 8.310 nan 0.000 0.661 1064 A N -0.550 121.849 122.820 -0.702 0.000 2.248 1064 A HA 0.800 5.120 4.320 0.001 0.000 0.316 1064 A C -0.477 176.783 177.584 -0.540 0.000 1.101 1064 A CA -0.290 51.220 52.037 -0.877 0.000 0.875 1064 A CB 0.552 18.535 19.000 -1.694 0.000 1.207 1064 A HN 0.328 nan 8.150 nan 0.000 0.504 1065 Y N -1.529 118.564 120.300 -0.345 0.000 2.536 1065 Y HA 0.639 5.190 4.550 0.001 0.000 0.347 1065 Y C 0.378 176.234 175.900 -0.073 0.000 1.000 1065 Y CA -0.209 57.801 58.100 -0.149 0.000 1.051 1065 Y CB 2.280 40.669 38.460 -0.119 0.000 1.259 1065 Y HN 0.897 nan 8.280 nan 0.000 0.468 1066 A N 0.457 123.370 122.820 0.155 0.000 2.435 1066 A HA 0.736 5.056 4.320 0.001 0.000 0.304 1066 A C 0.372 178.032 177.584 0.126 0.000 1.064 1066 A CA -0.167 51.950 52.037 0.133 0.000 0.727 1066 A CB 1.150 20.224 19.000 0.122 0.000 1.284 1066 A HN 0.966 nan 8.150 nan 0.000 0.415 1067 A N 0.945 123.753 122.820 -0.021 0.000 2.019 1067 A HA 0.373 4.694 4.320 0.001 0.000 0.219 1067 A C 0.217 177.417 177.584 -0.640 0.000 1.164 1067 A CA 1.280 53.069 52.037 -0.412 0.000 0.644 1067 A CB -0.386 18.279 19.000 -0.558 0.000 0.805 1067 A HN 0.769 nan 8.150 nan 0.000 0.449 1068 F N -1.833 118.225 119.950 0.179 0.000 2.578 1068 F HA 0.310 4.837 4.527 0.001 0.000 0.311 1068 F C 1.228 177.046 175.800 0.030 0.000 1.094 1068 F CA -0.601 57.456 58.000 0.095 0.000 0.923 1068 F CB 1.478 40.490 39.000 0.020 0.000 1.230 1068 F HN 0.251 nan 8.300 nan 0.000 0.450 1069 Q N 1.283 121.118 119.800 0.057 0.000 2.182 1069 Q HA -0.254 4.087 4.340 0.001 0.000 0.213 1069 Q C -0.312 175.697 176.000 0.014 0.000 1.000 1069 Q CA 2.091 57.798 55.803 -0.161 0.000 0.889 1069 Q CB -0.451 27.976 28.738 -0.518 0.000 0.932 1069 Q HN 0.780 nan 8.270 nan 0.000 0.415 1070 Y N 0.757 121.108 120.300 0.085 0.000 2.635 1070 Y HA 0.500 5.051 4.550 0.001 0.000 0.373 1070 Y C -0.117 175.829 175.900 0.076 0.000 1.000 1070 Y CA -1.141 56.992 58.100 0.055 0.000 1.219 1070 Y CB 0.689 39.166 38.460 0.029 0.000 1.294 1070 Y HN 0.007 nan 8.280 nan 0.000 0.612 1071 R N 1.163 121.817 120.500 0.256 0.000 2.774 1071 R HA 0.393 4.733 4.340 0.001 0.000 0.272 1071 R C -2.918 173.475 176.300 0.155 0.000 1.000 1071 R CA -1.965 54.254 56.100 0.199 0.000 0.906 1071 R CB 2.131 32.584 30.300 0.255 0.000 1.227 1071 R HN 0.080 nan 8.270 nan 0.000 0.468 1072 P HA 0.097 nan 4.420 nan 0.000 0.272 1072 P C -2.521 174.861 177.300 0.136 0.000 1.223 1072 P CA -1.065 62.108 63.100 0.121 0.000 0.784 1072 P CB 0.023 31.791 31.700 0.115 0.000 0.923 1073 P HA 0.018 nan 4.420 nan 0.000 0.272 1073 P C -0.255 177.178 177.300 0.221 0.000 1.223 1073 P CA 0.081 63.249 63.100 0.112 0.000 0.784 1073 P CB 0.531 32.209 31.700 -0.037 0.000 0.923 1074 S N 0.780 116.609 115.700 0.215 0.000 2.429 1074 S HA 0.244 4.714 4.470 0.001 0.000 0.302 1074 S C 1.319 176.125 174.600 0.343 0.000 1.115 1074 S CA -0.396 57.961 58.200 0.261 0.000 1.095 1074 S CB -0.038 63.302 63.200 0.234 0.000 0.987 1074 S HN 0.383 nan 8.310 nan 0.000 0.474 1075 T N 4.602 119.385 114.554 0.381 0.000 2.708 1075 T HA -0.123 4.227 4.350 0.001 0.000 0.266 1075 T C 1.247 176.140 174.700 0.322 0.000 1.037 1075 T CA 1.576 63.913 62.100 0.394 0.000 1.146 1075 T CB -0.416 68.611 68.868 0.264 0.000 0.865 1075 T HN 0.861 nan 8.240 nan 0.000 0.435 1076 W N 1.700 123.044 121.300 0.073 0.000 2.332 1076 W HA -0.089 4.571 4.660 0.001 0.000 0.321 1076 W C 2.039 178.620 176.519 0.102 0.000 1.219 1076 W CA 0.889 58.224 57.345 -0.017 0.000 1.277 1076 W CB -0.862 28.474 29.460 -0.207 0.000 1.161 1076 W HN 0.148 nan 8.180 nan 0.000 0.476 1077 L N 0.098 121.448 121.223 0.211 0.000 2.013 1077 L HA -0.317 4.024 4.340 0.001 0.000 0.212 1077 L C 2.321 179.141 176.870 -0.084 0.000 1.073 1077 L CA 2.418 57.256 54.840 -0.003 0.000 0.753 1077 L CB -1.085 41.037 42.059 0.105 0.000 0.890 1077 L HN 0.039 nan 8.230 nan 0.000 0.432 1078 T N -0.031 114.542 114.554 0.032 0.000 2.607 1078 T HA -0.264 4.086 4.350 0.001 0.000 0.267 1078 T C 1.873 176.508 174.700 -0.109 0.000 1.049 1078 T CA 1.576 63.671 62.100 -0.008 0.000 1.162 1078 T CB -0.501 68.513 68.868 0.243 0.000 0.863 1078 T HN 0.582 nan 8.240 nan 0.000 0.424 1079 A N 0.883 123.695 122.820 -0.013 0.000 1.873 1079 A HA -0.191 4.129 4.320 0.001 0.000 0.218 1079 A C 2.109 179.576 177.584 -0.195 0.000 1.193 1079 A CA 2.155 54.141 52.037 -0.086 0.000 0.629 1079 A CB -1.334 17.661 19.000 -0.008 0.000 0.826 1079 A HN 0.581 nan 8.150 nan 0.000 0.447 1080 Y N 0.982 121.115 120.300 -0.279 0.000 2.139 1080 Y HA -0.242 4.309 4.550 0.001 0.000 0.282 1080 Y C 2.348 177.972 175.900 -0.460 0.000 1.179 1080 Y CA 1.950 59.809 58.100 -0.402 0.000 1.161 1080 Y CB -0.596 37.590 38.460 -0.457 0.000 0.970 1080 Y HN 0.069 nan 8.280 nan 0.000 0.511 1081 V N -1.001 118.468 119.914 -0.743 0.000 2.515 1081 V HA -0.273 3.848 4.120 0.001 0.000 0.250 1081 V C 2.353 177.850 176.094 -0.995 0.000 1.058 1081 V CA 1.523 63.143 62.300 -1.134 0.000 1.064 1081 V CB -0.911 30.010 31.823 -1.503 0.000 0.675 1081 V HN 0.337 nan 8.190 nan 0.000 0.461 1082 V N 0.078 119.639 119.914 -0.588 0.000 2.515 1082 V HA -0.238 3.882 4.120 0.001 0.000 0.250 1082 V C 2.378 178.312 176.094 -0.267 0.000 1.058 1082 V CA 2.142 64.250 62.300 -0.319 0.000 1.064 1082 V CB -0.673 31.040 31.823 -0.184 0.000 0.675 1082 V HN 0.573 nan 8.190 nan 0.000 0.461 1083 K N 0.282 120.457 120.400 -0.376 0.000 2.007 1083 K HA -0.119 4.202 4.320 0.001 0.000 0.206 1083 K C 2.101 178.527 176.600 -0.289 0.000 1.047 1083 K CA 1.556 57.653 56.287 -0.317 0.000 0.937 1083 K CB -0.144 32.131 32.500 -0.375 0.000 0.718 1083 K HN 0.303 nan 8.250 nan 0.000 0.438 1084 V N 1.274 120.911 119.914 -0.461 0.000 2.358 1084 V HA -0.213 3.907 4.120 0.001 0.000 0.246 1084 V C 2.249 178.356 176.094 0.022 0.000 1.047 1084 V CA 1.468 63.593 62.300 -0.292 0.000 1.035 1084 V CB -0.597 30.951 31.823 -0.459 0.000 0.658 1084 V HN 0.232 nan 8.190 nan 0.000 0.452 1085 F N 0.996 120.799 119.950 -0.245 0.000 2.102 1085 F HA -0.097 4.430 4.527 0.001 0.000 0.298 1085 F C 2.507 178.221 175.800 -0.143 0.000 1.105 1085 F CA 0.952 58.856 58.000 -0.159 0.000 1.239 1085 F CB -1.586 37.357 39.000 -0.095 0.000 0.991 1085 F HN 0.124 nan 8.300 nan 0.000 0.474 1086 A N 0.578 123.444 122.820 0.078 0.000 1.859 1086 A HA -0.199 4.122 4.320 0.001 0.000 0.217 1086 A C 2.416 179.996 177.584 -0.007 0.000 1.198 1086 A CA 1.848 53.887 52.037 0.005 0.000 0.629 1086 A CB -1.257 17.723 19.000 -0.033 0.000 0.830 1086 A HN 0.360 nan 8.150 nan 0.000 0.446 1087 L N -0.961 120.256 121.223 -0.009 0.000 1.990 1087 L HA -0.264 4.077 4.340 0.001 0.000 0.213 1087 L C 3.081 180.033 176.870 0.136 0.000 1.072 1087 L CA 1.441 56.304 54.840 0.039 0.000 0.755 1087 L CB -0.583 41.484 42.059 0.013 0.000 0.889 1087 L HN 0.473 nan 8.230 nan 0.000 0.432 1088 A N -0.359 122.481 122.820 0.033 0.000 2.067 1088 A HA -0.051 4.269 4.320 0.001 0.000 0.219 1088 A C 2.432 179.948 177.584 -0.115 0.000 1.158 1088 A CA 1.217 53.221 52.037 -0.055 0.000 0.661 1088 A CB -0.592 18.335 19.000 -0.122 0.000 0.801 1088 A HN 0.421 nan 8.150 nan 0.000 0.452 1089 A N 0.153 122.908 122.820 -0.108 0.000 2.194 1089 A HA -0.218 4.103 4.320 0.001 0.000 0.220 1089 A C 1.774 179.305 177.584 -0.088 0.000 1.162 1089 A CA 1.540 53.494 52.037 -0.138 0.000 0.674 1089 A CB -0.829 18.113 19.000 -0.097 0.000 0.789 1089 A HN 0.745 nan 8.150 nan 0.000 0.470 1090 N N -0.998 117.688 118.700 -0.023 0.000 2.336 1090 N HA 0.181 4.921 4.740 0.001 0.000 0.189 1090 N C 0.943 176.434 175.510 -0.031 0.000 1.113 1090 N CA 0.227 53.292 53.050 0.025 0.000 0.858 1090 N CB 0.078 38.675 38.487 0.183 0.000 0.970 1090 N HN 0.499 nan 8.380 nan 0.000 0.471 1091 L N -0.481 120.676 121.223 -0.109 0.000 3.066 1091 L HA 0.373 4.713 4.340 0.001 0.000 0.272 1091 L C -0.313 176.464 176.870 -0.156 0.000 1.101 1091 L CA 0.034 54.782 54.840 -0.152 0.000 1.022 1091 L CB 0.615 42.538 42.059 -0.226 0.000 1.600 1091 L HN 0.000 nan 8.230 nan 0.000 0.559 1092 I N 0.300 120.759 120.570 -0.185 0.000 3.002 1092 I HA 0.405 4.576 4.170 0.001 0.000 0.310 1092 I C 0.273 176.240 176.117 -0.250 0.000 1.087 1092 I CA -0.887 60.285 61.300 -0.213 0.000 1.017 1092 I CB 1.851 39.696 38.000 -0.259 0.000 1.226 1092 I HN -0.146 nan 8.210 nan 0.000 0.443 1093 A N 5.564 128.244 122.820 -0.232 0.000 2.666 1093 A HA 0.432 4.752 4.320 0.001 0.000 0.301 1093 A C -0.245 177.130 177.584 -0.348 0.000 1.470 1093 A CA -0.075 51.830 52.037 -0.220 0.000 1.159 1093 A CB -0.905 18.008 19.000 -0.145 0.000 1.116 1093 A HN 0.387 nan 8.150 nan 0.000 0.548 1094 I N 2.081 122.413 120.570 -0.398 0.000 2.359 1094 I HA 0.172 4.342 4.170 0.001 0.000 0.294 1094 I C 0.294 176.280 176.117 -0.218 0.000 0.987 1094 I CA -0.819 60.145 61.300 -0.560 0.000 1.225 1094 I CB 1.365 38.996 38.000 -0.614 0.000 1.366 1094 I HN 0.511 nan 8.210 nan 0.000 0.466 1095 D N 4.441 124.805 120.400 -0.059 0.000 2.368 1095 D HA -0.040 4.601 4.640 0.001 0.000 0.268 1095 D C 1.327 177.642 176.300 0.025 0.000 1.298 1095 D CA 0.245 54.258 54.000 0.022 0.000 0.938 1095 D CB 0.974 41.829 40.800 0.091 0.000 1.101 1095 D HN 0.643 nan 8.370 nan 0.000 0.509 1096 S N 3.685 119.384 115.700 -0.003 0.000 2.423 1096 S HA -0.217 4.254 4.470 0.001 0.000 0.231 1096 S C 1.727 176.346 174.600 0.031 0.000 1.014 1096 S CA 0.748 58.954 58.200 0.009 0.000 0.965 1096 S CB 0.101 63.295 63.200 -0.011 0.000 0.785 1096 S HN 0.380 nan 8.310 nan 0.000 0.495 1097 K N 2.010 122.427 120.400 0.027 0.000 2.002 1097 K HA -0.091 4.229 4.320 0.001 0.000 0.209 1097 K C 1.834 178.466 176.600 0.053 0.000 1.048 1097 K CA 1.974 58.279 56.287 0.030 0.000 0.930 1097 K CB -0.983 31.526 32.500 0.014 0.000 0.714 1097 K HN 0.291 nan 8.250 nan 0.000 0.438 1098 D N 0.035 120.476 120.400 0.069 0.000 2.117 1098 D HA -0.140 4.500 4.640 0.001 0.000 0.198 1098 D C 1.977 178.372 176.300 0.158 0.000 0.982 1098 D CA 0.983 55.044 54.000 0.101 0.000 0.828 1098 D CB -0.167 40.704 40.800 0.117 0.000 0.967 1098 D HN 0.253 nan 8.370 nan 0.000 0.464 1099 L N 0.033 121.366 121.223 0.183 0.000 1.971 1099 L HA -0.283 4.058 4.340 0.001 0.000 0.215 1099 L C 2.365 179.319 176.870 0.141 0.000 1.072 1099 L CA 1.747 56.712 54.840 0.208 0.000 0.758 1099 L CB -0.301 41.859 42.059 0.168 0.000 0.889 1099 L HN 0.213 nan 8.230 nan 0.000 0.433 1100 c N -0.371 118.288 118.600 0.098 0.000 2.422 1100 c HA -0.101 4.469 4.570 0.001 0.000 0.279 1100 c C 2.528 176.677 174.090 0.098 0.000 1.305 1100 c CA 0.162 56.539 56.329 0.081 0.000 1.757 1100 c CB -1.052 41.490 42.510 0.053 0.000 1.962 1100 c HN 0.541 nan 8.230 nan 0.000 0.499 1101 E N 0.749 121.008 120.200 0.099 0.000 2.268 1101 E HA -0.107 4.243 4.350 0.001 0.000 0.195 1101 E C 2.151 178.841 176.600 0.150 0.000 0.995 1101 E CA 1.155 57.616 56.400 0.103 0.000 0.836 1101 E CB -0.360 29.382 29.700 0.070 0.000 0.763 1101 E HN 0.628 nan 8.360 nan 0.000 0.491 1102 T N 0.520 115.173 114.554 0.165 0.000 2.809 1102 T HA -0.051 4.300 4.350 0.001 0.000 0.260 1102 T C 2.148 177.006 174.700 0.264 0.000 1.039 1102 T CA 0.882 63.110 62.100 0.215 0.000 1.141 1102 T CB -0.100 68.901 68.868 0.221 0.000 0.869 1102 T HN -0.034 nan 8.240 nan 0.000 0.437 1103 V N 1.676 121.697 119.914 0.178 0.000 2.282 1103 V HA -0.228 3.893 4.120 0.001 0.000 0.249 1103 V C 2.497 178.692 176.094 0.170 0.000 1.057 1103 V CA 1.682 64.071 62.300 0.147 0.000 1.032 1103 V CB -0.538 31.339 31.823 0.089 0.000 0.645 1103 V HN 0.420 nan 8.190 nan 0.000 0.447 1104 K N -1.399 119.097 120.400 0.160 0.000 2.032 1104 K HA -0.277 4.044 4.320 0.001 0.000 0.209 1104 K C 1.943 178.650 176.600 0.178 0.000 1.048 1104 K CA 2.228 58.598 56.287 0.139 0.000 0.927 1104 K CB -0.341 32.230 32.500 0.120 0.000 0.712 1104 K HN 0.619 nan 8.250 nan 0.000 0.441 1105 W N 1.602 122.938 121.300 0.060 0.000 2.318 1105 W HA -0.240 4.421 4.660 0.001 0.000 0.313 1105 W C 1.517 178.090 176.519 0.090 0.000 1.221 1105 W CA 1.528 58.912 57.345 0.065 0.000 1.266 1105 W CB -0.451 29.048 29.460 0.066 0.000 1.150 1105 W HN -0.001 nan 8.180 nan 0.000 0.496 1106 L N 0.128 121.485 121.223 0.224 0.000 1.970 1106 L HA -0.320 4.021 4.340 0.001 0.000 0.212 1106 L C 2.485 179.405 176.870 0.084 0.000 1.071 1106 L CA 1.592 56.480 54.840 0.081 0.000 0.751 1106 L CB -1.043 41.137 42.059 0.202 0.000 0.889 1106 L HN 0.002 nan 8.230 nan 0.000 0.432 1107 I N -0.890 119.761 120.570 0.135 0.000 2.226 1107 I HA -0.267 3.904 4.170 0.001 0.000 0.245 1107 I C 2.463 178.552 176.117 -0.047 0.000 1.100 1107 I CA 1.371 62.725 61.300 0.090 0.000 1.374 1107 I CB -1.007 37.041 38.000 0.079 0.000 1.057 1107 I HN 0.253 nan 8.210 nan 0.000 0.413 1108 L N 0.460 121.644 121.223 -0.064 0.000 2.034 1108 L HA -0.078 4.263 4.340 0.001 0.000 0.203 1108 L C 2.616 179.375 176.870 -0.185 0.000 1.074 1108 L CA 1.689 56.471 54.840 -0.098 0.000 0.748 1108 L CB -1.108 40.923 42.059 -0.046 0.000 0.905 1108 L HN 0.248 nan 8.230 nan 0.000 0.439 1109 E N -0.152 119.847 120.200 -0.336 0.000 2.158 1109 E HA -0.097 4.254 4.350 0.001 0.000 0.191 1109 E C 1.678 178.005 176.600 -0.455 0.000 0.982 1109 E CA 0.698 56.816 56.400 -0.469 0.000 0.823 1109 E CB 0.266 29.433 29.700 -0.888 0.000 0.766 1109 E HN 0.312 nan 8.360 nan 0.000 0.468 1110 K N 0.268 120.399 120.400 -0.448 0.000 2.373 1110 K HA 0.124 4.444 4.320 0.001 0.000 0.200 1110 K C 0.545 177.044 176.600 -0.169 0.000 1.054 1110 K CA -0.027 56.099 56.287 -0.269 0.000 1.065 1110 K CB 0.935 33.279 32.500 -0.261 0.000 0.886 1110 K HN 0.079 nan 8.250 nan 0.000 0.546 1111 Q N 1.993 121.625 119.800 -0.281 0.000 2.331 1111 Q HA 0.165 4.505 4.340 0.001 0.000 0.257 1111 Q C -0.721 175.033 176.000 -0.410 0.000 0.957 1111 Q CA -0.247 55.190 55.803 -0.611 0.000 0.923 1111 Q CB 0.854 29.030 28.738 -0.936 0.000 1.212 1111 Q HN -0.053 nan 8.270 nan 0.000 0.443 1112 K N 4.037 124.207 120.400 -0.382 0.000 2.234 1112 K HA 0.023 4.343 4.320 0.001 0.000 0.251 1112 K C -1.534 174.917 176.600 -0.249 0.000 1.011 1112 K CA -0.982 55.146 56.287 -0.264 0.000 0.889 1112 K CB 0.269 32.623 32.500 -0.244 0.000 1.011 1112 K HN 0.518 nan 8.250 nan 0.000 0.505 1113 P HA -0.164 nan 4.420 nan 0.000 0.223 1113 P C 0.005 177.236 177.300 -0.116 0.000 1.151 1113 P CA 1.395 64.418 63.100 -0.128 0.000 0.787 1113 P CB 0.127 31.776 31.700 -0.085 0.000 0.788 1114 D N -1.519 118.803 120.400 -0.129 0.000 2.336 1114 D HA 0.110 4.750 4.640 0.001 0.000 0.228 1114 D C 1.289 177.508 176.300 -0.136 0.000 1.120 1114 D CA 0.426 54.380 54.000 -0.078 0.000 0.839 1114 D CB -0.049 40.739 40.800 -0.019 0.000 0.932 1114 D HN 0.233 nan 8.370 nan 0.000 0.509 1115 G N 1.306 109.955 108.800 -0.253 0.000 2.399 1115 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 1115 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 1115 G C 0.365 174.924 174.900 -0.569 0.000 1.096 1115 G CA -0.078 44.829 45.100 -0.321 0.000 0.650 1115 G HN 0.385 nan 8.290 nan 0.000 0.512 1116 I N 1.607 121.753 120.570 -0.707 0.000 2.948 1116 I HA 0.184 4.354 4.170 0.001 0.000 0.303 1116 I C 0.240 176.047 176.117 -0.516 0.000 1.224 1116 I CA 0.556 61.452 61.300 -0.673 0.000 1.442 1116 I CB 0.148 37.763 38.000 -0.641 0.000 1.328 1116 I HN 0.106 nan 8.210 nan 0.000 0.578 1117 F N 4.716 124.539 119.950 -0.211 0.000 2.427 1117 F HA 0.351 4.878 4.527 0.001 0.000 0.346 1117 F C 0.468 176.204 175.800 -0.107 0.000 1.120 1117 F CA -0.345 57.580 58.000 -0.125 0.000 1.033 1117 F CB 1.249 40.219 39.000 -0.051 0.000 1.126 1117 F HN 0.440 nan 8.300 nan 0.000 0.462 1118 Q N 1.905 121.727 119.800 0.037 0.000 2.227 1118 Q HA 0.293 4.634 4.340 0.001 0.000 0.245 1118 Q C -0.989 175.042 176.000 0.052 0.000 0.926 1118 Q CA -0.709 55.096 55.803 0.004 0.000 0.895 1118 Q CB 1.378 30.083 28.738 -0.055 0.000 1.230 1118 Q HN 0.545 nan 8.270 nan 0.000 0.450 1119 E N 2.233 122.460 120.200 0.044 0.000 2.183 1119 E HA 0.131 4.481 4.350 0.001 0.000 0.250 1119 E C -0.997 175.640 176.600 0.062 0.000 0.901 1119 E CA -0.185 56.262 56.400 0.077 0.000 0.741 1119 E CB 0.591 30.328 29.700 0.061 0.000 1.182 1119 E HN 0.551 nan 8.360 nan 0.000 0.425 1120 D N 2.748 123.200 120.400 0.086 0.000 2.340 1120 D HA 0.098 4.739 4.640 0.001 0.000 0.220 1120 D C 0.642 177.003 176.300 0.101 0.000 1.039 1120 D CA 0.307 54.354 54.000 0.077 0.000 0.866 1120 D CB 0.553 41.398 40.800 0.075 0.000 0.913 1120 D HN 0.482 nan 8.370 nan 0.000 0.523 1121 G N 1.551 110.430 108.800 0.132 0.000 2.531 1121 G HA2 0.423 4.384 3.960 0.001 0.000 0.313 1121 G HA3 0.423 4.384 3.960 0.001 0.000 0.313 1121 G C -2.523 172.434 174.900 0.096 0.000 1.238 1121 G CA -1.076 44.103 45.100 0.133 0.000 0.994 1121 G HN -0.143 nan 8.290 nan 0.000 0.493 1122 P HA 0.145 nan 4.420 nan 0.000 0.271 1122 P C -0.007 177.321 177.300 0.046 0.000 1.218 1122 P CA -0.205 62.937 63.100 0.070 0.000 0.780 1122 P CB 1.288 33.048 31.700 0.101 0.000 0.901 1123 V N 4.303 124.211 119.914 -0.010 0.000 2.715 1123 V HA -0.010 4.110 4.120 0.001 0.000 0.299 1123 V C 1.833 177.867 176.094 -0.100 0.000 1.054 1123 V CA 0.593 62.839 62.300 -0.091 0.000 1.077 1123 V CB 0.369 32.111 31.823 -0.136 0.000 0.972 1123 V HN 0.474 nan 8.190 nan 0.000 0.484 1124 I N 2.554 122.984 120.570 -0.234 0.000 3.300 1124 I HA 0.141 4.311 4.170 0.001 0.000 0.279 1124 I C 0.863 176.735 176.117 -0.408 0.000 1.172 1124 I CA 0.202 61.370 61.300 -0.221 0.000 1.431 1124 I CB 0.133 38.020 38.000 -0.188 0.000 1.240 1124 I HN 0.563 nan 8.210 nan 0.000 0.453 1125 H N 2.616 121.129 119.070 -0.929 0.000 2.476 1125 H HA 0.139 4.695 4.556 0.001 0.000 0.328 1125 H C 0.613 175.607 175.328 -0.557 0.000 1.073 1125 H CA -0.139 55.382 56.048 -0.879 0.000 1.229 1125 H CB 1.715 30.637 29.762 -1.401 0.000 1.432 1125 H HN 0.192 nan 8.280 nan 0.000 0.477 1126 Q N 3.284 122.721 119.800 -0.606 0.000 2.065 1126 Q HA -0.255 4.086 4.340 0.001 0.000 0.213 1126 Q C 0.521 176.233 176.000 -0.480 0.000 1.012 1126 Q CA 2.037 57.543 55.803 -0.495 0.000 0.876 1126 Q CB 0.037 28.426 28.738 -0.582 0.000 0.954 1126 Q HN 0.564 nan 8.270 nan 0.000 0.413 1127 E N -0.413 119.464 120.200 -0.539 0.000 2.431 1127 E HA -0.091 4.259 4.350 0.001 0.000 0.208 1127 E C -0.316 176.093 176.600 -0.319 0.000 1.299 1127 E CA 0.473 56.591 56.400 -0.470 0.000 1.080 1127 E CB -0.070 29.200 29.700 -0.718 0.000 1.114 1127 E HN 0.326 nan 8.360 nan 0.000 0.489 1128 M N 0.551 119.962 119.600 -0.316 0.000 2.911 1128 M HA 0.311 4.792 4.480 0.001 0.000 0.381 1128 M C -0.883 175.285 176.300 -0.220 0.000 1.287 1128 M CA -0.088 55.047 55.300 -0.276 0.000 0.858 1128 M CB -0.092 32.276 32.600 -0.386 0.000 1.385 1128 M HN -0.054 nan 8.290 nan 0.000 0.504 1129 I N -0.682 119.756 120.570 -0.220 0.000 2.610 1129 I HA 0.502 4.672 4.170 0.001 0.000 0.289 1129 I C 0.457 176.449 176.117 -0.208 0.000 1.163 1129 I CA -0.958 60.219 61.300 -0.205 0.000 1.044 1129 I CB 2.238 40.095 38.000 -0.239 0.000 1.251 1129 I HN 0.236 nan 8.210 nan 0.000 0.424 1130 G N 3.969 112.669 108.800 -0.167 0.000 2.457 1130 G HA2 0.551 4.511 3.960 0.001 0.000 0.316 1130 G HA3 0.551 4.511 3.960 0.001 0.000 0.316 1130 G C 0.129 174.886 174.900 -0.237 0.000 1.030 1130 G CA -0.333 44.674 45.100 -0.155 0.000 1.073 1130 G HN 0.829 nan 8.290 nan 0.000 0.430 1131 G N 1.131 109.696 108.800 -0.391 0.000 2.451 1131 G HA2 0.634 4.594 3.960 0.001 0.000 0.303 1131 G HA3 0.634 4.594 3.960 0.001 0.000 0.303 1131 G C -0.123 174.370 174.900 -0.678 0.000 1.166 1131 G CA -0.527 44.138 45.100 -0.725 0.000 0.884 1131 G HN 0.573 nan 8.290 nan 0.000 0.514 1132 F N -1.787 118.140 119.950 -0.038 0.000 2.174 1132 F HA -0.293 4.234 4.527 0.001 0.000 0.316 1132 F C 2.155 177.944 175.800 -0.017 0.000 0.129 1132 F CA 0.695 58.678 58.000 -0.027 0.000 0.907 1132 F CB -0.700 38.282 39.000 -0.030 0.000 4.109 1132 F HN 0.743 nan 8.300 nan 0.000 0.156 1133 R N 0.414 121.059 120.500 0.241 0.000 2.226 1133 R HA -0.142 4.199 4.340 0.001 0.000 0.246 1133 R C -0.015 176.335 176.300 0.084 0.000 1.161 1133 R CA 1.934 58.104 56.100 0.118 0.000 0.997 1133 R CB -0.949 29.402 30.300 0.085 0.000 0.870 1133 R HN 0.576 nan 8.270 nan 0.000 0.465 1134 D N 2.600 123.056 120.400 0.093 0.000 2.600 1134 D HA -0.009 4.631 4.640 0.001 0.000 0.226 1134 D C 0.526 176.839 176.300 0.023 0.000 1.119 1134 D CA 0.585 54.615 54.000 0.050 0.000 1.051 1134 D CB 0.778 41.607 40.800 0.048 0.000 1.106 1134 D HN 0.350 nan 8.370 nan 0.000 0.491 1135 T N -0.893 113.680 114.554 0.032 0.000 2.977 1135 T HA -0.148 4.202 4.350 0.001 0.000 0.271 1135 T C 1.138 175.865 174.700 0.045 0.000 1.105 1135 T CA 0.348 62.466 62.100 0.029 0.000 1.116 1135 T CB 0.158 69.051 68.868 0.041 0.000 0.878 1135 T HN 0.226 nan 8.240 nan 0.000 0.509 1136 R N 1.243 121.772 120.500 0.049 0.000 2.738 1136 R HA 0.235 4.575 4.340 0.001 0.000 0.268 1136 R C 0.688 177.009 176.300 0.035 0.000 1.062 1136 R CA 0.034 56.174 56.100 0.066 0.000 1.158 1136 R CB 0.034 30.362 30.300 0.046 0.000 1.046 1136 R HN 0.346 nan 8.270 nan 0.000 0.493 1137 E N -0.542 119.682 120.200 0.040 0.000 3.496 1137 E HA -0.260 4.091 4.350 0.001 0.000 0.300 1137 E C -0.584 176.022 176.600 0.009 0.000 0.877 1137 E CA 0.876 57.283 56.400 0.012 0.000 1.050 1137 E CB -0.497 29.194 29.700 -0.016 0.000 1.532 1137 E HN 0.415 nan 8.360 nan 0.000 0.447 1138 K N 0.895 121.313 120.400 0.031 0.000 2.276 1138 K HA 0.044 4.365 4.320 0.001 0.000 0.285 1138 K C 0.026 176.651 176.600 0.041 0.000 1.062 1138 K CA 0.465 56.756 56.287 0.007 0.000 0.918 1138 K CB 0.540 33.043 32.500 0.005 0.000 1.055 1138 K HN 0.044 nan 8.250 nan 0.000 0.477 1139 D N 1.712 122.116 120.400 0.006 0.000 2.946 1139 D HA -0.189 4.451 4.640 0.001 0.000 0.202 1139 D C 1.098 177.458 176.300 0.100 0.000 1.068 1139 D CA 0.927 54.930 54.000 0.005 0.000 1.011 1139 D CB -1.057 39.681 40.800 -0.105 0.000 1.105 1139 D HN 0.351 nan 8.370 nan 0.000 0.425 1140 V N 0.760 120.772 119.914 0.164 0.000 2.261 1140 V HA -0.245 3.875 4.120 0.001 0.000 0.246 1140 V C 2.541 178.721 176.094 0.144 0.000 1.047 1140 V CA 2.465 64.893 62.300 0.212 0.000 1.015 1140 V CB -0.511 31.369 31.823 0.097 0.000 0.642 1140 V HN 0.245 nan 8.190 nan 0.000 0.446 1141 S N 0.025 115.782 115.700 0.094 0.000 2.359 1141 S HA -0.220 4.250 4.470 0.001 0.000 0.223 1141 S C 1.880 176.569 174.600 0.149 0.000 1.039 1141 S CA 2.108 60.375 58.200 0.111 0.000 1.042 1141 S CB -0.477 62.757 63.200 0.057 0.000 0.915 1141 S HN 0.432 nan 8.310 nan 0.000 0.439 1142 L N 1.556 122.846 121.223 0.112 0.000 2.027 1142 L HA -0.041 4.299 4.340 0.001 0.000 0.206 1142 L C 2.269 179.272 176.870 0.222 0.000 1.074 1142 L CA 1.945 56.883 54.840 0.164 0.000 0.745 1142 L CB -1.494 40.623 42.059 0.096 0.000 0.898 1142 L HN 0.212 nan 8.230 nan 0.000 0.433 1143 T N 0.066 114.739 114.554 0.199 0.000 2.759 1143 T HA -0.184 4.166 4.350 0.001 0.000 0.269 1143 T C 1.881 176.713 174.700 0.220 0.000 1.042 1143 T CA 1.426 63.689 62.100 0.272 0.000 1.140 1143 T CB -0.515 68.460 68.868 0.178 0.000 0.864 1143 T HN 0.537 nan 8.240 nan 0.000 0.455 1144 A N 0.723 123.654 122.820 0.184 0.000 1.898 1144 A HA 0.049 4.369 4.320 0.001 0.000 0.216 1144 A C 1.979 179.619 177.584 0.094 0.000 1.181 1144 A CA 1.066 53.172 52.037 0.115 0.000 0.620 1144 A CB -0.937 18.110 19.000 0.079 0.000 0.819 1144 A HN 0.455 nan 8.150 nan 0.000 0.442 1145 F N 0.889 120.842 119.950 0.005 0.000 2.025 1145 F HA -0.230 4.298 4.527 0.001 0.000 0.297 1145 F C 2.346 178.107 175.800 -0.065 0.000 1.132 1145 F CA 2.377 60.386 58.000 0.016 0.000 1.191 1145 F CB -0.463 38.617 39.000 0.133 0.000 0.963 1145 F HN 0.038 nan 8.300 nan 0.000 0.481 1146 V N 0.692 120.666 119.914 0.099 0.000 2.324 1146 V HA -0.314 3.806 4.120 0.001 0.000 0.250 1146 V C 2.351 178.270 176.094 -0.291 0.000 1.060 1146 V CA 1.808 63.951 62.300 -0.262 0.000 1.042 1146 V CB -1.023 30.321 31.823 -0.798 0.000 0.650 1146 V HN 0.513 nan 8.190 nan 0.000 0.450 1147 L N 0.343 121.481 121.223 -0.142 0.000 1.990 1147 L HA -0.200 4.141 4.340 0.001 0.000 0.213 1147 L C 2.212 179.032 176.870 -0.083 0.000 1.072 1147 L CA 2.028 56.842 54.840 -0.044 0.000 0.755 1147 L CB -0.705 41.375 42.059 0.036 0.000 0.889 1147 L HN 0.263 nan 8.230 nan 0.000 0.432 1148 I N -0.084 120.401 120.570 -0.142 0.000 2.118 1148 I HA -0.365 3.806 4.170 0.001 0.000 0.241 1148 I C 2.678 178.713 176.117 -0.137 0.000 1.070 1148 I CA 1.488 62.679 61.300 -0.180 0.000 1.327 1148 I CB -0.880 37.020 38.000 -0.166 0.000 1.034 1148 I HN 0.447 nan 8.210 nan 0.000 0.405 1149 A N 1.121 123.808 122.820 -0.223 0.000 1.865 1149 A HA -0.201 4.120 4.320 0.001 0.000 0.217 1149 A C 2.318 179.824 177.584 -0.129 0.000 1.191 1149 A CA 1.690 53.596 52.037 -0.219 0.000 0.623 1149 A CB -1.057 17.765 19.000 -0.295 0.000 0.826 1149 A HN 0.395 nan 8.150 nan 0.000 0.444 1150 L N -1.256 119.899 121.223 -0.114 0.000 2.042 1150 L HA -0.256 4.084 4.340 0.001 0.000 0.210 1150 L C 2.758 179.610 176.870 -0.031 0.000 1.076 1150 L CA 1.749 56.553 54.840 -0.059 0.000 0.749 1150 L CB -0.837 41.204 42.059 -0.030 0.000 0.893 1150 L HN 0.638 nan 8.230 nan 0.000 0.432 1151 H N 0.274 119.283 119.070 -0.100 0.000 2.422 1151 H HA -0.217 4.339 4.556 0.001 0.000 0.298 1151 H C 2.052 177.325 175.328 -0.092 0.000 1.098 1151 H CA 1.952 57.943 56.048 -0.095 0.000 1.315 1151 H CB 0.333 30.017 29.762 -0.130 0.000 1.382 1151 H HN 0.311 nan 8.280 nan 0.000 0.523 1152 E N 0.502 120.711 120.200 0.014 0.000 2.107 1152 E HA 0.009 4.359 4.350 0.001 0.000 0.191 1152 E C 1.890 178.436 176.600 -0.089 0.000 0.982 1152 E CA 1.095 57.480 56.400 -0.024 0.000 0.809 1152 E CB -0.245 29.435 29.700 -0.034 0.000 0.756 1152 E HN 0.483 nan 8.360 nan 0.000 0.459 1153 A N 0.223 122.992 122.820 -0.085 0.000 2.278 1153 A HA 0.046 4.366 4.320 0.001 0.000 0.212 1153 A C 1.729 179.260 177.584 -0.089 0.000 1.213 1153 A CA 0.359 52.355 52.037 -0.069 0.000 0.840 1153 A CB -0.422 18.553 19.000 -0.042 0.000 0.866 1153 A HN 0.137 nan 8.150 nan 0.000 0.489 1154 K N 0.282 120.589 120.400 -0.156 0.000 2.127 1154 K HA -0.235 4.085 4.320 0.001 0.000 0.208 1154 K C 0.815 177.343 176.600 -0.120 0.000 1.047 1154 K CA 2.103 58.286 56.287 -0.173 0.000 0.927 1154 K CB -0.051 32.244 32.500 -0.341 0.000 0.716 1154 K HN 0.472 nan 8.250 nan 0.000 0.450 1155 D N 0.022 120.354 120.400 -0.113 0.000 2.269 1155 D HA -0.040 4.600 4.640 0.001 0.000 0.220 1155 D C 1.941 178.210 176.300 -0.051 0.000 0.962 1155 D CA 0.687 54.641 54.000 -0.076 0.000 0.884 1155 D CB -0.187 40.569 40.800 -0.073 0.000 1.023 1155 D HN 0.134 nan 8.370 nan 0.000 0.484 1156 I N 0.845 121.386 120.570 -0.048 0.000 2.399 1156 I HA -0.238 3.933 4.170 0.001 0.000 0.254 1156 I C 1.791 177.896 176.117 -0.020 0.000 1.146 1156 I CA 1.076 62.357 61.300 -0.032 0.000 1.412 1156 I CB -0.270 37.713 38.000 -0.028 0.000 1.076 1156 I HN 0.045 nan 8.210 nan 0.000 0.432 1157 c N -0.710 117.878 118.600 -0.019 0.000 2.976 1157 c HA 0.227 4.798 4.570 0.001 0.000 0.274 1157 c C 2.199 176.283 174.090 -0.010 0.000 1.487 1157 c CA -0.730 55.596 56.329 -0.005 0.000 1.789 1157 c CB -0.862 41.654 42.510 0.009 0.000 2.771 1157 c HN 0.402 nan 8.230 nan 0.000 0.551 1158 E N 2.691 122.877 120.200 -0.022 0.000 2.049 1158 E HA -0.201 4.149 4.350 0.001 0.000 0.198 1158 E C 2.133 178.725 176.600 -0.013 0.000 1.007 1158 E CA 2.252 58.638 56.400 -0.024 0.000 0.809 1158 E CB -0.026 29.655 29.700 -0.032 0.000 0.749 1158 E HN 0.597 nan 8.360 nan 0.000 0.450 1159 A N -0.012 122.801 122.820 -0.011 0.000 1.874 1159 A HA -0.114 4.206 4.320 0.001 0.000 0.214 1159 A C 2.125 179.709 177.584 -0.001 0.000 1.189 1159 A CA 1.104 53.137 52.037 -0.007 0.000 0.615 1159 A CB -0.472 18.523 19.000 -0.008 0.000 0.830 1159 A HN 0.214 nan 8.150 nan 0.000 0.443 1160 Q N -0.151 119.650 119.800 0.002 0.000 2.096 1160 Q HA -0.138 4.202 4.340 0.001 0.000 0.208 1160 Q C 0.092 176.101 176.000 0.015 0.000 0.993 1160 Q CA 1.407 57.216 55.803 0.010 0.000 0.862 1160 Q CB -0.472 28.275 28.738 0.015 0.000 0.915 1160 Q HN 0.410 nan 8.270 nan 0.000 0.416 1161 V N 2.100 122.023 119.914 0.015 0.000 2.409 1161 V HA 0.202 4.322 4.120 0.001 0.000 0.291 1161 V C 0.295 176.396 176.094 0.012 0.000 1.020 1161 V CA -0.513 61.799 62.300 0.020 0.000 0.848 1161 V CB 1.700 33.541 31.823 0.031 0.000 0.990 1161 V HN 0.178 nan 8.190 nan 0.000 0.430 1162 N N 2.211 120.917 118.700 0.010 0.000 2.322 1162 N HA 0.075 4.815 4.740 0.001 0.000 0.216 1162 N C 0.842 176.356 175.510 0.006 0.000 1.144 1162 N CA 0.140 53.194 53.050 0.005 0.000 0.830 1162 N CB 0.948 39.437 38.487 0.003 0.000 1.034 1162 N HN 0.650 nan 8.380 nan 0.000 0.484 1163 S N -0.470 115.237 115.700 0.012 0.000 2.593 1163 S HA 0.204 4.675 4.470 0.001 0.000 0.235 1163 S C 1.789 176.402 174.600 0.021 0.000 1.059 1163 S CA -0.444 57.764 58.200 0.013 0.000 0.953 1163 S CB 0.756 63.964 63.200 0.013 0.000 0.897 1163 S HN 0.184 nan 8.310 nan 0.000 0.507 1164 L N 2.068 123.305 121.223 0.024 0.000 1.997 1164 L HA -0.205 4.135 4.340 0.001 0.000 0.216 1164 L C 2.620 179.504 176.870 0.024 0.000 1.074 1164 L CA 1.850 56.708 54.840 0.029 0.000 0.763 1164 L CB -1.052 41.014 42.059 0.011 0.000 0.890 1164 L HN 0.508 nan 8.230 nan 0.000 0.434 1165 G N -0.576 108.229 108.800 0.008 0.000 2.491 1165 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 1165 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 1165 G C 1.521 176.431 174.900 0.017 0.000 1.180 1165 G CA 0.665 45.769 45.100 0.006 0.000 0.774 1165 G HN 0.247 nan 8.290 nan 0.000 0.562 1166 R N 0.675 121.183 120.500 0.014 0.000 2.075 1166 R HA 0.010 4.351 4.340 0.001 0.000 0.232 1166 R C 2.810 179.122 176.300 0.019 0.000 1.126 1166 R CA 1.231 57.339 56.100 0.012 0.000 0.963 1166 R CB -1.600 28.702 30.300 0.003 0.000 0.858 1166 R HN 0.419 nan 8.270 nan 0.000 0.435 1167 S N 0.869 116.587 115.700 0.029 0.000 2.353 1167 S HA -0.065 4.405 4.470 0.001 0.000 0.222 1167 S C 2.059 176.714 174.600 0.091 0.000 1.035 1167 S CA 0.993 59.221 58.200 0.047 0.000 1.025 1167 S CB -0.174 63.082 63.200 0.094 0.000 0.902 1167 S HN 0.243 nan 8.310 nan 0.000 0.440 1168 I N 1.554 122.182 120.570 0.097 0.000 2.208 1168 I HA -0.209 3.962 4.170 0.001 0.000 0.245 1168 I C 2.787 178.956 176.117 0.087 0.000 1.097 1168 I CA 1.189 62.552 61.300 0.105 0.000 1.363 1168 I CB -0.575 37.471 38.000 0.078 0.000 1.051 1168 I HN 0.407 nan 8.210 nan 0.000 0.413 1169 A N 0.795 123.651 122.820 0.061 0.000 1.877 1169 A HA -0.220 4.100 4.320 0.001 0.000 0.216 1169 A C 2.330 179.950 177.584 0.060 0.000 1.186 1169 A CA 1.603 53.670 52.037 0.051 0.000 0.620 1169 A CB -0.450 18.570 19.000 0.033 0.000 0.822 1169 A HN 0.299 nan 8.150 nan 0.000 0.443 1170 K N -0.356 120.074 120.400 0.050 0.000 2.009 1170 K HA -0.135 4.185 4.320 0.001 0.000 0.210 1170 K C 2.317 178.972 176.600 0.092 0.000 1.049 1170 K CA 1.301 57.617 56.287 0.048 0.000 0.929 1170 K CB -0.415 32.083 32.500 -0.004 0.000 0.714 1170 K HN 0.431 nan 8.250 nan 0.000 0.440 1171 A N 1.182 124.060 122.820 0.096 0.000 1.986 1171 A HA -0.142 4.179 4.320 0.001 0.000 0.220 1171 A C 2.359 180.066 177.584 0.205 0.000 1.171 1171 A CA 2.075 54.210 52.037 0.164 0.000 0.640 1171 A CB -1.152 18.003 19.000 0.258 0.000 0.811 1171 A HN 0.485 nan 8.150 nan 0.000 0.451 1172 G N -0.181 108.703 108.800 0.141 0.000 2.404 1172 G HA2 -0.212 3.748 3.960 0.001 0.000 0.215 1172 G HA3 -0.212 3.748 3.960 0.001 0.000 0.215 1172 G C 1.160 176.133 174.900 0.120 0.000 1.174 1172 G CA 1.079 46.245 45.100 0.110 0.000 0.780 1172 G HN 0.488 nan 8.290 nan 0.000 0.537 1173 D N 0.333 120.804 120.400 0.118 0.000 2.104 1173 D HA -0.143 4.497 4.640 0.001 0.000 0.194 1173 D C 2.023 178.414 176.300 0.152 0.000 0.994 1173 D CA 0.827 54.893 54.000 0.109 0.000 0.830 1173 D CB -0.434 40.423 40.800 0.097 0.000 0.959 1173 D HN 0.304 nan 8.370 nan 0.000 0.452 1174 F N 1.772 121.766 119.950 0.073 0.000 2.065 1174 F HA -0.214 4.313 4.527 0.001 0.000 0.298 1174 F C 2.246 178.133 175.800 0.145 0.000 1.112 1174 F CA 1.358 59.416 58.000 0.096 0.000 1.212 1174 F CB -0.469 38.527 39.000 -0.006 0.000 0.975 1174 F HN -0.133 nan 8.300 nan 0.000 0.476 1175 L N 0.240 121.546 121.223 0.138 0.000 1.955 1175 L HA -0.266 4.075 4.340 0.001 0.000 0.213 1175 L C 2.595 179.515 176.870 0.084 0.000 1.072 1175 L CA 2.138 57.019 54.840 0.068 0.000 0.755 1175 L CB -1.170 41.000 42.059 0.185 0.000 0.888 1175 L HN 0.262 nan 8.230 nan 0.000 0.432 1176 E N 0.260 120.528 120.200 0.114 0.000 2.147 1176 E HA -0.274 4.077 4.350 0.001 0.000 0.199 1176 E C 1.835 178.477 176.600 0.070 0.000 1.005 1176 E CA 1.603 58.062 56.400 0.098 0.000 0.810 1176 E CB 0.054 29.780 29.700 0.043 0.000 0.736 1176 E HN 0.464 nan 8.360 nan 0.000 0.460 1177 N N -0.519 118.194 118.700 0.021 0.000 2.333 1177 N HA -0.073 4.668 4.740 0.001 0.000 0.178 1177 N C 0.862 176.292 175.510 -0.133 0.000 1.018 1177 N CA 0.856 53.881 53.050 -0.041 0.000 0.882 1177 N CB -0.109 38.354 38.487 -0.039 0.000 0.984 1177 N HN 0.303 nan 8.380 nan 0.000 0.434 1178 H N -1.338 117.574 119.070 -0.264 0.000 2.524 1178 H HA 0.148 4.704 4.556 0.001 0.000 0.280 1178 H C 1.021 176.266 175.328 -0.139 0.000 1.018 1178 H CA -0.164 55.718 56.048 -0.277 0.000 1.165 1178 H CB -0.072 29.346 29.762 -0.573 0.000 1.411 1178 H HN 0.231 nan 8.280 nan 0.000 0.569 1179 Y N 1.950 122.226 120.300 -0.040 0.000 2.145 1179 Y HA -0.291 4.259 4.550 0.001 0.000 0.286 1179 Y C 2.474 178.378 175.900 0.007 0.000 1.145 1179 Y CA 1.755 59.854 58.100 -0.002 0.000 1.148 1179 Y CB 0.175 38.637 38.460 0.003 0.000 0.981 1179 Y HN 0.221 nan 8.280 nan 0.000 0.507 1180 R N 0.104 120.716 120.500 0.186 0.000 2.154 1180 R HA -0.230 4.110 4.340 0.001 0.000 0.248 1180 R C 1.589 177.919 176.300 0.050 0.000 1.155 1180 R CA 2.184 58.354 56.100 0.117 0.000 0.979 1180 R CB -0.840 29.490 30.300 0.050 0.000 0.869 1180 R HN 0.396 nan 8.270 nan 0.000 0.452 1181 E N 1.080 121.283 120.200 0.004 0.000 2.358 1181 E HA 0.068 4.418 4.350 0.001 0.000 0.195 1181 E C 0.243 176.833 176.600 -0.016 0.000 1.010 1181 E CA 0.045 56.441 56.400 -0.007 0.000 0.856 1181 E CB 0.023 29.718 29.700 -0.009 0.000 0.795 1181 E HN 0.292 nan 8.360 nan 0.000 0.504 1182 L N 0.737 121.922 121.223 -0.064 0.000 2.483 1182 L HA 0.072 4.412 4.340 0.001 0.000 0.276 1182 L C 1.311 178.165 176.870 -0.027 0.000 1.213 1182 L CA 0.555 55.339 54.840 -0.093 0.000 0.843 1182 L CB 0.403 42.303 42.059 -0.266 0.000 1.107 1182 L HN 0.049 nan 8.230 nan 0.000 0.487 1183 R N 0.527 121.025 120.500 -0.004 0.000 2.663 1183 R HA 0.194 4.535 4.340 0.001 0.000 0.199 1183 R C 0.011 176.339 176.300 0.047 0.000 0.870 1183 R CA -0.496 55.619 56.100 0.024 0.000 1.040 1183 R CB 0.465 30.777 30.300 0.020 0.000 1.524 1183 R HN 0.513 nan 8.270 nan 0.000 0.643 1184 R N 1.990 122.521 120.500 0.052 0.000 2.491 1184 R HA 0.116 4.457 4.340 0.001 0.000 0.283 1184 R C -2.029 174.368 176.300 0.161 0.000 1.072 1184 R CA -1.551 54.602 56.100 0.089 0.000 1.048 1184 R CB 0.341 30.682 30.300 0.069 0.000 0.983 1184 R HN -0.100 nan 8.270 nan 0.000 0.450 1185 P HA -0.261 nan 4.420 nan 0.000 0.214 1185 P C 0.900 178.439 177.300 0.398 0.000 1.163 1185 P CA 1.321 64.607 63.100 0.310 0.000 0.889 1185 P CB -0.091 31.764 31.700 0.259 0.000 0.790 1186 Y N 0.239 120.674 120.300 0.224 0.000 2.081 1186 Y HA -0.297 4.254 4.550 0.001 0.000 0.280 1186 Y C 2.178 178.151 175.900 0.122 0.000 1.163 1186 Y CA 2.459 60.682 58.100 0.206 0.000 1.135 1186 Y CB -0.959 37.612 38.460 0.186 0.000 0.970 1186 Y HN -0.047 nan 8.280 nan 0.000 0.498 1187 T N -0.363 114.438 114.554 0.411 0.000 2.674 1187 T HA -0.217 4.134 4.350 0.001 0.000 0.265 1187 T C 1.951 176.709 174.700 0.096 0.000 1.039 1187 T CA 1.768 64.001 62.100 0.220 0.000 1.150 1187 T CB -0.993 67.927 68.868 0.087 0.000 0.864 1187 T HN 0.232 nan 8.240 nan 0.000 0.427 1188 V N 1.914 121.895 119.914 0.112 0.000 2.317 1188 V HA -0.251 3.869 4.120 0.001 0.000 0.251 1188 V C 2.890 179.149 176.094 0.275 0.000 1.065 1188 V CA 1.911 64.290 62.300 0.131 0.000 1.049 1188 V CB -1.311 30.696 31.823 0.307 0.000 0.651 1188 V HN 0.595 nan 8.190 nan 0.000 0.450 1189 A N -0.346 122.613 122.820 0.233 0.000 1.840 1189 A HA -0.109 4.211 4.320 0.001 0.000 0.214 1189 A C 2.277 179.816 177.584 -0.075 0.000 1.198 1189 A CA 1.551 53.627 52.037 0.065 0.000 0.608 1189 A CB -0.569 18.341 19.000 -0.151 0.000 0.839 1189 A HN 0.365 nan 8.150 nan 0.000 0.443 1190 I N 0.180 120.640 120.570 -0.184 0.000 2.315 1190 I HA -0.263 3.907 4.170 0.001 0.000 0.251 1190 I C 2.466 178.487 176.117 -0.160 0.000 1.125 1190 I CA 1.849 62.901 61.300 -0.413 0.000 1.392 1190 I CB -0.788 36.870 38.000 -0.570 0.000 1.065 1190 I HN 0.345 nan 8.210 nan 0.000 0.424 1191 A N 0.262 123.057 122.820 -0.042 0.000 1.970 1191 A HA 0.071 4.392 4.320 0.001 0.000 0.216 1191 A C 2.481 180.117 177.584 0.087 0.000 1.170 1191 A CA 1.189 53.247 52.037 0.035 0.000 0.645 1191 A CB -0.654 18.357 19.000 0.017 0.000 0.816 1191 A HN 0.480 nan 8.150 nan 0.000 0.447 1192 A N -1.279 121.575 122.820 0.056 0.000 1.933 1192 A HA -0.101 4.219 4.320 0.001 0.000 0.218 1192 A C 2.095 179.544 177.584 -0.226 0.000 1.175 1192 A CA 1.648 53.589 52.037 -0.160 0.000 0.628 1192 A CB -0.708 17.873 19.000 -0.699 0.000 0.814 1192 A HN 0.677 nan 8.150 nan 0.000 0.444 1193 Y N 0.658 120.782 120.300 -0.293 0.000 2.200 1193 Y HA 0.010 4.560 4.550 0.001 0.000 0.290 1193 Y C 2.630 178.419 175.900 -0.183 0.000 1.137 1193 Y CA 0.788 58.749 58.100 -0.231 0.000 1.163 1193 Y CB -0.839 37.549 38.460 -0.120 0.000 0.988 1193 Y HN 0.304 nan 8.280 nan 0.000 0.518 1194 A N 0.553 123.245 122.820 -0.213 0.000 1.873 1194 A HA -0.210 4.110 4.320 0.001 0.000 0.218 1194 A C 2.341 179.775 177.584 -0.250 0.000 1.193 1194 A CA 2.229 54.100 52.037 -0.277 0.000 0.629 1194 A CB -1.271 17.671 19.000 -0.098 0.000 0.826 1194 A HN 0.529 nan 8.150 nan 0.000 0.447 1195 L N -0.944 120.192 121.223 -0.145 0.000 2.141 1195 L HA -0.129 4.211 4.340 0.001 0.000 0.209 1195 L C 3.068 179.832 176.870 -0.176 0.000 1.094 1195 L CA 0.824 55.591 54.840 -0.122 0.000 0.763 1195 L CB -0.589 41.423 42.059 -0.078 0.000 0.908 1195 L HN 0.436 nan 8.230 nan 0.000 0.437 1196 A N 0.568 123.258 122.820 -0.216 0.000 1.883 1196 A HA -0.196 4.125 4.320 0.001 0.000 0.217 1196 A C 2.241 179.691 177.584 -0.222 0.000 1.186 1196 A CA 1.595 53.514 52.037 -0.197 0.000 0.624 1196 A CB -0.818 18.091 19.000 -0.151 0.000 0.822 1196 A HN 0.385 nan 8.150 nan 0.000 0.444 1197 L N -1.009 119.984 121.223 -0.383 0.000 2.265 1197 L HA -0.095 4.246 4.340 0.001 0.000 0.215 1197 L C 1.506 178.210 176.870 -0.275 0.000 1.117 1197 L CA 0.697 55.254 54.840 -0.471 0.000 0.782 1197 L CB -0.363 41.130 42.059 -0.943 0.000 0.914 1197 L HN 0.345 nan 8.230 nan 0.000 0.441 1198 L N -0.603 120.505 121.223 -0.193 0.000 2.741 1198 L HA 0.272 4.612 4.340 0.001 0.000 0.237 1198 L C 1.516 178.350 176.870 -0.061 0.000 1.178 1198 L CA 0.200 54.993 54.840 -0.078 0.000 0.973 1198 L CB -0.111 41.916 42.059 -0.052 0.000 1.255 1198 L HN 0.357 nan 8.230 nan 0.000 0.498 1199 G N 0.673 109.426 108.800 -0.080 0.000 2.205 1199 G HA2 -0.379 3.582 3.960 0.001 0.000 0.269 1199 G HA3 -0.379 3.582 3.960 0.001 0.000 0.269 1199 G C 0.986 175.849 174.900 -0.063 0.000 0.977 1199 G CA 0.642 45.706 45.100 -0.061 0.000 0.652 1199 G HN 0.432 nan 8.290 nan 0.000 0.539 1200 K N -0.624 119.733 120.400 -0.073 0.000 2.546 1200 K HA 0.307 4.627 4.320 0.001 0.000 0.198 1200 K C 0.702 177.238 176.600 -0.107 0.000 1.028 1200 K CA -0.227 56.017 56.287 -0.071 0.000 1.150 1200 K CB 0.011 32.480 32.500 -0.051 0.000 0.876 1200 K HN 0.300 nan 8.250 nan 0.000 0.508 1201 L N 1.878 123.027 121.223 -0.123 0.000 2.556 1201 L HA 0.189 4.529 4.340 0.001 0.000 0.245 1201 L C -0.889 175.914 176.870 -0.112 0.000 1.174 1201 L CA 0.194 54.937 54.840 -0.162 0.000 1.117 1201 L CB -0.148 41.790 42.059 -0.202 0.000 1.409 1201 L HN -0.043 nan 8.230 nan 0.000 0.411 1202 E N 0.856 120.996 120.200 -0.100 0.000 2.446 1202 E HA 0.721 5.071 4.350 0.001 0.000 0.267 1202 E C 0.449 177.008 176.600 -0.067 0.000 0.955 1202 E CA -0.259 56.103 56.400 -0.062 0.000 0.842 1202 E CB 0.560 30.233 29.700 -0.045 0.000 1.504 1202 E HN 0.326 nan 8.360 nan 0.000 0.438 1203 G N 1.241 110.016 108.800 -0.041 0.000 2.582 1203 G HA2 -0.394 3.566 3.960 0.001 0.000 0.288 1203 G HA3 -0.394 3.566 3.960 0.001 0.000 0.288 1203 G C 0.525 175.398 174.900 -0.044 0.000 1.247 1203 G CA 0.942 46.019 45.100 -0.038 0.000 0.972 1203 G HN 0.570 nan 8.290 nan 0.000 0.557 1204 D N 0.093 120.464 120.400 -0.049 0.000 2.218 1204 D HA 0.048 4.689 4.640 0.001 0.000 0.204 1204 D C 2.653 178.895 176.300 -0.098 0.000 0.976 1204 D CA 1.394 55.368 54.000 -0.043 0.000 0.853 1204 D CB -0.020 40.766 40.800 -0.023 0.000 0.939 1204 D HN 0.371 nan 8.370 nan 0.000 0.481 1205 R N 0.245 120.613 120.500 -0.220 0.000 2.070 1205 R HA -0.019 4.321 4.340 0.001 0.000 0.233 1205 R C 2.177 178.300 176.300 -0.295 0.000 1.137 1205 R CA 0.550 56.326 56.100 -0.540 0.000 0.945 1205 R CB -0.648 29.253 30.300 -0.664 0.000 0.845 1205 R HN 0.166 nan 8.270 nan 0.000 0.430 1206 L N 0.564 121.710 121.223 -0.128 0.000 2.042 1206 L HA -0.203 4.137 4.340 0.001 0.000 0.210 1206 L C 1.968 178.923 176.870 0.141 0.000 1.076 1206 L CA 2.508 57.377 54.840 0.050 0.000 0.749 1206 L CB -0.965 41.111 42.059 0.027 0.000 0.893 1206 L HN 0.362 nan 8.230 nan 0.000 0.432 1207 T N -1.293 113.300 114.554 0.064 0.000 2.951 1207 T HA -0.200 4.150 4.350 0.001 0.000 0.268 1207 T C 1.924 176.683 174.700 0.099 0.000 1.073 1207 T CA 1.511 63.653 62.100 0.070 0.000 1.134 1207 T CB 0.026 68.913 68.868 0.033 0.000 0.884 1207 T HN 0.423 nan 8.240 nan 0.000 0.479 1208 K N -0.683 119.798 120.400 0.134 0.000 2.044 1208 K HA -0.016 4.304 4.320 0.001 0.000 0.204 1208 K C 1.961 178.755 176.600 0.324 0.000 1.049 1208 K CA 1.139 57.556 56.287 0.217 0.000 0.945 1208 K CB -0.462 32.236 32.500 0.330 0.000 0.724 1208 K HN 0.340 nan 8.250 nan 0.000 0.440 1209 F N 2.140 122.242 119.950 0.253 0.000 2.063 1209 F HA -0.247 4.281 4.527 0.001 0.000 0.298 1209 F C 1.560 177.626 175.800 0.443 0.000 1.109 1209 F CA 1.681 59.915 58.000 0.391 0.000 1.212 1209 F CB -0.506 38.647 39.000 0.254 0.000 0.973 1209 F HN -0.003 nan 8.300 nan 0.000 0.480 1210 L N 0.102 121.361 121.223 0.059 0.000 2.046 1210 L HA -0.240 4.100 4.340 0.001 0.000 0.208 1210 L C 2.202 178.949 176.870 -0.207 0.000 1.077 1210 L CA 1.439 56.203 54.840 -0.128 0.000 0.747 1210 L CB -0.898 41.159 42.059 -0.003 0.000 0.896 1210 L HN 0.176 nan 8.230 nan 0.000 0.432 1211 N N -0.762 117.885 118.700 -0.090 0.000 2.459 1211 N HA -0.098 4.643 4.740 0.001 0.000 0.181 1211 N C 1.684 177.091 175.510 -0.172 0.000 1.046 1211 N CA 1.119 54.098 53.050 -0.118 0.000 0.904 1211 N CB -0.054 38.410 38.487 -0.039 0.000 0.964 1211 N HN 0.279 nan 8.380 nan 0.000 0.444 1212 T N 0.340 114.798 114.554 -0.160 0.000 3.023 1212 T HA 0.110 4.460 4.350 0.001 0.000 0.266 1212 T C 0.831 175.218 174.700 -0.521 0.000 1.093 1212 T CA 0.211 62.204 62.100 -0.178 0.000 1.129 1212 T CB 0.036 68.957 68.868 0.088 0.000 0.899 1212 T HN 0.221 nan 8.240 nan 0.000 0.491 1213 A N 2.127 124.366 122.820 -0.968 0.000 2.366 1213 A HA 0.464 4.784 4.320 0.001 0.000 0.272 1213 A C 0.162 177.293 177.584 -0.755 0.000 1.135 1213 A CA -0.555 50.642 52.037 -1.400 0.000 0.804 1213 A CB 0.399 17.888 19.000 -2.519 0.000 1.064 1213 A HN 0.013 nan 8.150 nan 0.000 0.499 1214 K N 2.341 122.389 120.400 -0.587 0.000 2.276 1214 K HA 0.188 4.509 4.320 0.001 0.000 0.283 1214 K C 0.170 176.560 176.600 -0.349 0.000 1.044 1214 K CA -0.052 56.011 56.287 -0.373 0.000 0.944 1214 K CB 0.670 33.005 32.500 -0.274 0.000 1.012 1214 K HN 0.823 nan 8.250 nan 0.000 0.472 1215 E N 2.650 122.701 120.200 -0.249 0.000 2.586 1215 E HA -0.283 4.067 4.350 0.001 0.000 0.259 1215 E C -0.470 176.013 176.600 -0.194 0.000 1.107 1215 E CA 0.724 57.013 56.400 -0.185 0.000 0.754 1215 E CB -1.255 28.361 29.700 -0.139 0.000 1.335 1215 E HN 0.765 nan 8.360 nan 0.000 0.411 1216 K N -1.966 118.277 120.400 -0.262 0.000 3.445 1216 K HA -0.320 4.000 4.320 0.001 0.000 0.316 1216 K C 0.698 177.186 176.600 -0.187 0.000 1.278 1216 K CA 1.967 58.116 56.287 -0.230 0.000 0.976 1216 K CB -1.967 30.460 32.500 -0.122 0.000 1.238 1216 K HN 0.770 nan 8.250 nan 0.000 0.430 1217 N N -0.137 118.427 118.700 -0.227 0.000 2.159 1217 N HA 0.023 4.764 4.740 0.001 0.000 0.217 1217 N C 0.127 175.501 175.510 -0.225 0.000 1.223 1217 N CA -0.659 52.309 53.050 -0.136 0.000 0.896 1217 N CB 0.619 39.068 38.487 -0.062 0.000 1.064 1217 N HN 0.259 nan 8.380 nan 0.000 0.518 1218 R N -0.894 119.351 120.500 -0.424 0.000 2.728 1218 R HA 0.169 4.509 4.340 0.001 0.000 0.274 1218 R C -1.927 174.153 176.300 -0.367 0.000 1.030 1218 R CA -0.808 55.013 56.100 -0.465 0.000 0.876 1218 R CB 0.426 29.907 30.300 -1.367 0.000 1.259 1218 R HN 0.094 nan 8.270 nan 0.000 0.468 1219 W N 2.105 123.209 121.300 -0.328 0.000 2.433 1219 W HA 0.247 4.907 4.660 0.001 0.000 0.288 1219 W C -0.504 175.977 176.519 -0.063 0.000 0.986 1219 W CA -0.332 56.931 57.345 -0.138 0.000 1.680 1219 W CB 1.426 30.873 29.460 -0.022 0.000 1.615 1219 W HN 0.690 nan 8.180 nan 0.000 0.416 1220 E N 0.742 120.944 120.200 0.004 0.000 2.263 1220 E HA 0.593 4.944 4.350 0.001 0.000 0.264 1220 E C -1.179 175.480 176.600 0.099 0.000 0.923 1220 E CA -0.718 55.741 56.400 0.098 0.000 0.802 1220 E CB 2.949 32.684 29.700 0.058 0.000 1.228 1220 E HN 0.224 nan 8.360 nan 0.000 0.417 1221 E N 2.060 122.355 120.200 0.158 0.000 2.248 1221 E HA 0.347 4.698 4.350 0.001 0.000 0.267 1221 E C -2.540 174.136 176.600 0.126 0.000 0.877 1221 E CA -2.903 53.571 56.400 0.123 0.000 0.759 1221 E CB 1.716 31.500 29.700 0.141 0.000 1.182 1221 E HN 0.292 nan 8.360 nan 0.000 0.418 1222 P HA -0.098 nan 4.420 nan 0.000 0.259 1222 P C -0.987 176.370 177.300 0.094 0.000 1.163 1222 P CA 0.892 64.039 63.100 0.078 0.000 0.760 1222 P CB 0.052 31.782 31.700 0.049 0.000 0.762 1223 N N 2.913 121.671 118.700 0.096 0.000 2.586 1223 N HA -0.218 4.523 4.740 0.001 0.000 0.282 1223 N C -0.260 175.342 175.510 0.154 0.000 1.171 1223 N CA 0.220 53.328 53.050 0.096 0.000 0.733 1223 N CB -0.343 38.184 38.487 0.068 0.000 0.910 1223 N HN 0.449 nan 8.380 nan 0.000 0.548 1224 Q N 0.157 120.083 119.800 0.210 0.000 1.858 1224 Q HA 0.028 4.368 4.340 0.001 0.000 0.190 1224 Q C 0.729 176.934 176.000 0.342 0.000 0.817 1224 Q CA -0.486 55.522 55.803 0.341 0.000 0.910 1224 Q CB 0.416 29.373 28.738 0.366 0.000 1.248 1224 Q HN 0.384 nan 8.270 nan 0.000 0.397 1225 K N 0.772 121.310 120.400 0.230 0.000 2.203 1225 K HA -0.264 4.057 4.320 0.001 0.000 0.206 1225 K C 1.722 178.550 176.600 0.380 0.000 0.722 1225 K CA 2.138 58.571 56.287 0.243 0.000 1.026 1225 K CB -1.178 31.376 32.500 0.091 0.000 0.713 1225 K HN 0.270 nan 8.250 nan 0.000 0.773 1226 L N -0.513 120.850 121.223 0.233 0.000 2.131 1226 L HA -0.177 4.163 4.340 0.001 0.000 0.210 1226 L C 2.608 179.609 176.870 0.220 0.000 1.092 1226 L CA 1.176 56.117 54.840 0.167 0.000 0.759 1226 L CB -0.489 41.528 42.059 -0.069 0.000 0.903 1226 L HN 0.254 nan 8.230 nan 0.000 0.435 1227 Y N 0.136 120.667 120.300 0.384 0.000 2.352 1227 Y HA -0.164 4.386 4.550 0.001 0.000 0.292 1227 Y C 2.503 178.737 175.900 0.557 0.000 1.136 1227 Y CA 0.775 59.176 58.100 0.501 0.000 1.227 1227 Y CB -0.638 38.036 38.460 0.356 0.000 0.991 1227 Y HN 0.270 nan 8.280 nan 0.000 0.545 1228 N N -0.351 118.707 118.700 0.597 0.000 2.171 1228 N HA -0.116 4.624 4.740 0.001 0.000 0.184 1228 N C 2.014 177.865 175.510 0.567 0.000 1.021 1228 N CA 1.336 54.723 53.050 0.561 0.000 0.854 1228 N CB -0.638 38.195 38.487 0.577 0.000 0.994 1228 N HN 0.183 nan 8.380 nan 0.000 0.426 1229 V N 1.910 122.140 119.914 0.527 0.000 2.392 1229 V HA -0.205 3.915 4.120 0.001 0.000 0.249 1229 V C 2.075 178.331 176.094 0.270 0.000 1.059 1229 V CA 1.549 64.098 62.300 0.415 0.000 1.051 1229 V CB -0.519 31.483 31.823 0.299 0.000 0.658 1229 V HN 0.316 nan 8.190 nan 0.000 0.455 1230 E N 0.573 120.938 120.200 0.275 0.000 2.006 1230 E HA -0.165 4.185 4.350 0.001 0.000 0.192 1230 E C 2.436 179.092 176.600 0.094 0.000 0.993 1230 E CA 1.223 57.708 56.400 0.142 0.000 0.808 1230 E CB -0.487 29.437 29.700 0.374 0.000 0.764 1230 E HN 0.527 nan 8.360 nan 0.000 0.449 1231 A N 1.262 124.129 122.820 0.077 0.000 1.894 1231 A HA -0.323 3.998 4.320 0.001 0.000 0.220 1231 A C 2.467 180.096 177.584 0.075 0.000 1.237 1231 A CA 2.858 54.887 52.037 -0.013 0.000 0.660 1231 A CB -1.530 17.563 19.000 0.156 0.000 0.835 1231 A HN 0.298 nan 8.150 nan 0.000 0.461 1232 T N 0.156 114.833 114.554 0.206 0.000 2.635 1232 T HA -0.176 4.174 4.350 0.001 0.000 0.267 1232 T C 2.223 176.936 174.700 0.022 0.000 1.040 1232 T CA 1.865 64.081 62.100 0.193 0.000 1.156 1232 T CB -0.611 68.512 68.868 0.426 0.000 0.863 1232 T HN 0.541 nan 8.240 nan 0.000 0.430 1233 S N 0.609 116.317 115.700 0.013 0.000 2.369 1233 S HA -0.176 4.295 4.470 0.001 0.000 0.225 1233 S C 1.786 176.231 174.600 -0.259 0.000 1.043 1233 S CA 1.596 59.709 58.200 -0.144 0.000 1.074 1233 S CB -0.843 62.211 63.200 -0.243 0.000 0.962 1233 S HN 0.568 nan 8.310 nan 0.000 0.433 1234 Y N 1.725 121.868 120.300 -0.262 0.000 2.139 1234 Y HA -0.304 4.247 4.550 0.001 0.000 0.282 1234 Y C 2.710 178.359 175.900 -0.418 0.000 1.179 1234 Y CA 0.950 58.822 58.100 -0.380 0.000 1.161 1234 Y CB -0.572 37.725 38.460 -0.272 0.000 0.970 1234 Y HN 0.311 nan 8.280 nan 0.000 0.511 1235 A N -0.002 122.676 122.820 -0.236 0.000 1.835 1235 A HA -0.233 4.088 4.320 0.001 0.000 0.215 1235 A C 2.124 179.578 177.584 -0.216 0.000 1.199 1235 A CA 1.749 53.575 52.037 -0.352 0.000 0.615 1235 A CB -1.224 17.071 19.000 -1.176 0.000 0.838 1235 A HN 0.432 nan 8.150 nan 0.000 0.444 1236 L N -0.001 121.098 121.223 -0.206 0.000 2.051 1236 L HA -0.195 4.145 4.340 0.001 0.000 0.214 1236 L C 2.252 179.038 176.870 -0.139 0.000 1.076 1236 L CA 1.880 56.651 54.840 -0.115 0.000 0.758 1236 L CB -0.673 41.339 42.059 -0.080 0.000 0.890 1236 L HN 0.433 nan 8.230 nan 0.000 0.433 1237 L N -0.877 120.177 121.223 -0.281 0.000 2.083 1237 L HA -0.171 4.170 4.340 0.001 0.000 0.209 1237 L C 2.664 179.434 176.870 -0.167 0.000 1.083 1237 L CA 1.155 55.768 54.840 -0.378 0.000 0.752 1237 L CB -0.934 40.551 42.059 -0.958 0.000 0.899 1237 L HN 0.405 nan 8.230 nan 0.000 0.433 1238 A N 0.122 122.862 122.820 -0.134 0.000 1.898 1238 A HA -0.148 4.172 4.320 0.001 0.000 0.216 1238 A C 2.260 179.809 177.584 -0.059 0.000 1.181 1238 A CA 1.276 53.328 52.037 0.025 0.000 0.620 1238 A CB -0.649 18.191 19.000 -0.267 0.000 0.819 1238 A HN 0.327 nan 8.150 nan 0.000 0.442 1239 L N -0.646 120.557 121.223 -0.033 0.000 2.012 1239 L HA -0.201 4.140 4.340 0.001 0.000 0.210 1239 L C 2.601 179.422 176.870 -0.082 0.000 1.073 1239 L CA 1.247 56.096 54.840 0.014 0.000 0.748 1239 L CB -0.555 41.552 42.059 0.080 0.000 0.891 1239 L HN 0.388 nan 8.230 nan 0.000 0.431 1240 L N -0.553 120.628 121.223 -0.069 0.000 2.083 1240 L HA -0.184 4.156 4.340 0.001 0.000 0.209 1240 L C 2.846 179.660 176.870 -0.093 0.000 1.083 1240 L CA 1.043 55.822 54.840 -0.101 0.000 0.752 1240 L CB -0.702 41.379 42.059 0.037 0.000 0.899 1240 L HN 0.245 nan 8.230 nan 0.000 0.433 1241 A N -0.269 122.544 122.820 -0.012 0.000 1.978 1241 A HA -0.200 4.121 4.320 0.001 0.000 0.220 1241 A C 2.390 179.940 177.584 -0.056 0.000 1.170 1241 A CA 1.401 53.440 52.037 0.002 0.000 0.636 1241 A CB -0.434 18.591 19.000 0.042 0.000 0.810 1241 A HN 0.310 nan 8.150 nan 0.000 0.448 1242 R N -1.525 118.920 120.500 -0.092 0.000 2.240 1242 R HA 0.045 4.386 4.340 0.001 0.000 0.203 1242 R C -0.028 176.177 176.300 -0.158 0.000 1.011 1242 R CA 0.754 56.795 56.100 -0.098 0.000 1.007 1242 R CB 0.001 30.256 30.300 -0.074 0.000 0.911 1242 R HN 0.514 nan 8.270 nan 0.000 0.468 1243 K N -0.153 120.050 120.400 -0.328 0.000 3.379 1243 K HA -0.145 4.175 4.320 0.001 0.000 0.300 1243 K C -0.566 175.607 176.600 -0.713 0.000 1.302 1243 K CA 0.835 56.681 56.287 -0.734 0.000 0.877 1243 K CB -1.244 31.133 32.500 -0.205 0.000 1.343 1243 K HN 0.130 nan 8.250 nan 0.000 0.488 1244 D N 0.011 120.164 120.400 -0.412 0.000 2.396 1244 D HA 0.014 4.654 4.640 0.001 0.000 0.255 1244 D C 0.775 177.012 176.300 -0.106 0.000 1.224 1244 D CA 0.194 54.093 54.000 -0.168 0.000 0.894 1244 D CB -0.083 40.691 40.800 -0.042 0.000 0.939 1244 D HN 0.275 nan 8.370 nan 0.000 0.506 1245 Y N 0.545 120.901 120.300 0.093 0.000 2.248 1245 Y HA -0.359 4.191 4.550 0.001 0.000 0.274 1245 Y C 1.953 177.918 175.900 0.108 0.000 1.277 1245 Y CA 1.309 59.482 58.100 0.122 0.000 1.140 1245 Y CB -0.600 37.916 38.460 0.093 0.000 0.934 1245 Y HN 0.271 nan 8.280 nan 0.000 0.529 1246 D N -1.232 119.285 120.400 0.195 0.000 2.183 1246 D HA -0.094 4.547 4.640 0.001 0.000 0.203 1246 D C 1.933 178.282 176.300 0.080 0.000 0.969 1246 D CA 1.781 55.857 54.000 0.126 0.000 0.842 1246 D CB -0.383 40.474 40.800 0.094 0.000 0.957 1246 D HN 0.419 nan 8.370 nan 0.000 0.484 1247 T N 0.507 115.102 114.554 0.068 0.000 2.951 1247 T HA -0.103 4.247 4.350 0.001 0.000 0.268 1247 T C 2.229 176.955 174.700 0.043 0.000 1.073 1247 T CA 1.641 63.773 62.100 0.053 0.000 1.134 1247 T CB -0.251 68.657 68.868 0.067 0.000 0.884 1247 T HN 0.307 nan 8.240 nan 0.000 0.479 1248 T N -0.103 114.470 114.554 0.032 0.000 2.942 1248 T HA 0.049 4.400 4.350 0.001 0.000 0.265 1248 T C -0.761 173.848 174.700 -0.151 0.000 1.062 1248 T CA 0.219 62.296 62.100 -0.038 0.000 1.139 1248 T CB -1.431 67.405 68.868 -0.053 0.000 0.883 1248 T HN 0.223 nan 8.240 nan 0.000 0.468 1249 P HA -0.108 nan 4.420 nan 0.000 0.220 1249 P C -1.481 175.742 177.300 -0.129 0.000 1.155 1249 P CA 1.923 64.909 63.100 -0.189 0.000 0.880 1249 P CB -1.075 30.572 31.700 -0.088 0.000 0.790 1250 P HA -0.075 nan 4.420 nan 0.000 0.217 1250 P C 1.473 178.816 177.300 0.072 0.000 1.151 1250 P CA 0.988 64.097 63.100 0.015 0.000 0.828 1250 P CB -0.378 31.335 31.700 0.021 0.000 0.788 1251 V N -0.560 119.391 119.914 0.063 0.000 2.427 1251 V HA -0.175 3.946 4.120 0.001 0.000 0.248 1251 V C 2.433 178.615 176.094 0.148 0.000 1.051 1251 V CA 1.558 63.947 62.300 0.148 0.000 1.048 1251 V CB -1.192 30.722 31.823 0.152 0.000 0.666 1251 V HN -0.026 nan 8.190 nan 0.000 0.456 1252 V N -0.090 119.813 119.914 -0.019 0.000 2.295 1252 V HA -0.263 3.858 4.120 0.001 0.000 0.246 1252 V C 2.654 178.767 176.094 0.031 0.000 1.049 1252 V CA 2.144 64.404 62.300 -0.068 0.000 1.024 1252 V CB -0.675 30.953 31.823 -0.325 0.000 0.648 1252 V HN 0.466 nan 8.190 nan 0.000 0.447 1253 R N -1.584 118.943 120.500 0.045 0.000 2.091 1253 R HA -0.259 4.082 4.340 0.001 0.000 0.238 1253 R C 2.067 178.447 176.300 0.133 0.000 1.136 1253 R CA 2.349 58.500 56.100 0.084 0.000 0.959 1253 R CB -0.471 29.891 30.300 0.102 0.000 0.856 1253 R HN 0.674 nan 8.270 nan 0.000 0.437 1254 W N 1.287 122.601 121.300 0.022 0.000 2.353 1254 W HA -0.148 4.512 4.660 0.001 0.000 0.319 1254 W C 1.724 178.272 176.519 0.047 0.000 1.207 1254 W CA 1.321 58.691 57.345 0.041 0.000 1.291 1254 W CB -0.577 28.921 29.460 0.064 0.000 1.159 1254 W HN -0.045 nan 8.180 nan 0.000 0.478 1255 L N 0.817 122.176 121.223 0.226 0.000 2.089 1255 L HA -0.356 3.985 4.340 0.001 0.000 0.213 1255 L C 2.491 179.329 176.870 -0.053 0.000 1.079 1255 L CA 2.052 56.914 54.840 0.037 0.000 0.758 1255 L CB -1.131 41.012 42.059 0.141 0.000 0.891 1255 L HN 0.292 nan 8.230 nan 0.000 0.433 1256 N N 0.138 118.823 118.700 -0.025 0.000 2.289 1256 N HA -0.203 4.538 4.740 0.001 0.000 0.184 1256 N C 1.192 176.631 175.510 -0.118 0.000 1.016 1256 N CA 1.322 54.358 53.050 -0.023 0.000 0.872 1256 N CB 0.243 38.728 38.487 -0.002 0.000 0.973 1256 N HN 0.573 nan 8.380 nan 0.000 0.433 1257 E N -0.962 119.086 120.200 -0.253 0.000 2.526 1257 E HA 0.054 4.405 4.350 0.001 0.000 0.208 1257 E C -0.105 176.151 176.600 -0.572 0.000 0.997 1257 E CA -0.163 56.035 56.400 -0.337 0.000 0.961 1257 E CB 0.223 29.783 29.700 -0.234 0.000 1.030 1257 E HN 0.217 nan 8.360 nan 0.000 0.483 1258 Q N 1.710 121.041 119.800 -0.782 0.000 3.179 1258 Q HA 0.166 4.506 4.340 0.001 0.000 0.328 1258 Q C -0.333 174.818 176.000 -1.415 0.000 1.336 1258 Q CA 0.212 55.298 55.803 -1.195 0.000 0.939 1258 Q CB -0.438 27.623 28.738 -1.129 0.000 1.658 1258 Q HN 0.228 nan 8.270 nan 0.000 0.486 1259 R N 0.793 120.599 120.500 -1.158 0.000 3.559 1259 R HA 0.183 4.523 4.340 0.001 0.000 0.273 1259 R C -0.027 175.867 176.300 -0.676 0.000 1.423 1259 R CA -0.189 55.285 56.100 -1.044 0.000 1.581 1259 R CB 0.027 29.866 30.300 -0.770 0.000 1.338 1259 R HN 0.323 nan 8.270 nan 0.000 0.667 1260 Y N -0.956 119.053 120.300 -0.485 0.000 2.578 1260 Y HA 0.039 4.589 4.550 0.001 0.000 0.297 1260 Y C -0.094 175.247 175.900 -0.933 0.000 1.176 1260 Y CA -0.282 57.406 58.100 -0.687 0.000 1.315 1260 Y CB -0.138 37.837 38.460 -0.809 0.000 1.031 1260 Y HN 0.189 nan 8.280 nan 0.000 0.524 1261 Y N 0.106 120.357 120.300 -0.083 0.000 2.686 1261 Y HA 0.553 5.103 4.550 0.001 0.000 0.331 1261 Y C 0.958 176.794 175.900 -0.107 0.000 0.996 1261 Y CA -1.554 56.495 58.100 -0.085 0.000 1.293 1261 Y CB 1.348 39.748 38.460 -0.100 0.000 1.092 1261 Y HN 0.203 nan 8.280 nan 0.000 0.524 1262 G N 1.435 110.227 108.800 -0.013 0.000 2.305 1262 G HA2 -0.057 3.903 3.960 0.001 0.000 0.287 1262 G HA3 -0.057 3.903 3.960 0.001 0.000 0.287 1262 G C 1.069 175.939 174.900 -0.051 0.000 1.036 1262 G CA 0.579 45.668 45.100 -0.019 0.000 0.887 1262 G HN 1.682 nan 8.290 nan 0.000 0.505 1263 G N -2.486 106.248 108.800 -0.110 0.000 2.168 1263 G HA2 0.204 4.165 3.960 0.001 0.000 0.257 1263 G HA3 0.204 4.165 3.960 0.001 0.000 0.257 1263 G C 1.219 176.003 174.900 -0.193 0.000 0.997 1263 G CA 1.140 46.149 45.100 -0.151 0.000 0.708 1263 G HN 2.234 nan 8.290 nan 0.000 0.520 1264 G N -2.275 106.416 108.800 -0.182 0.000 3.042 1264 G HA2 0.589 4.549 3.960 0.001 0.000 0.278 1264 G HA3 0.589 4.549 3.960 0.001 0.000 0.278 1264 G C -0.002 174.730 174.900 -0.280 0.000 1.371 1264 G CA -0.642 44.355 45.100 -0.172 0.000 1.009 1264 G HN 0.170 nan 8.290 nan 0.000 0.523 1265 Y N 0.587 120.873 120.300 -0.023 0.000 2.470 1265 Y HA 0.259 4.809 4.550 0.001 0.000 0.284 1265 Y C 2.261 178.119 175.900 -0.071 0.000 1.188 1265 Y CA 0.429 58.524 58.100 -0.008 0.000 1.269 1265 Y CB 0.376 38.790 38.460 -0.076 0.000 1.094 1265 Y HN 0.907 nan 8.280 nan 0.000 0.518 1266 G N 0.057 108.850 108.800 -0.013 0.000 3.327 1266 G HA2 -0.409 3.551 3.960 0.001 0.000 0.227 1266 G HA3 -0.409 3.551 3.960 0.001 0.000 0.227 1266 G C 0.804 175.472 174.900 -0.387 0.000 1.287 1266 G CA 0.954 45.872 45.100 -0.303 0.000 0.953 1266 G HN 0.534 nan 8.290 nan 0.000 0.549 1267 S N -1.018 114.454 115.700 -0.380 0.000 2.726 1267 S HA 0.653 5.123 4.470 0.001 0.000 0.308 1267 S C 1.774 176.173 174.600 -0.336 0.000 1.115 1267 S CA 0.921 58.868 58.200 -0.422 0.000 0.965 1267 S CB 1.406 64.294 63.200 -0.520 0.000 1.145 1267 S HN 1.406 nan 8.310 nan 0.000 0.532 1268 T N 0.471 114.828 114.554 -0.328 0.000 2.588 1268 T HA -0.146 4.205 4.350 0.001 0.000 0.261 1268 T C 1.669 175.836 174.700 -0.888 0.000 1.069 1268 T CA 1.286 62.993 62.100 -0.655 0.000 1.172 1268 T CB -0.974 67.840 68.868 -0.090 0.000 0.863 1268 T HN 0.593 nan 8.240 nan 0.000 0.408 1269 Q N 1.358 121.085 119.800 -0.123 0.000 2.061 1269 Q HA -0.029 4.311 4.340 0.001 0.000 0.204 1269 Q C 2.860 178.857 176.000 -0.005 0.000 0.984 1269 Q CA 1.942 57.785 55.803 0.066 0.000 0.846 1269 Q CB -1.056 27.889 28.738 0.346 0.000 0.902 1269 Q HN 0.755 nan 8.270 nan 0.000 0.421 1270 A N 0.272 123.098 122.820 0.010 0.000 1.908 1270 A HA -0.195 4.125 4.320 0.001 0.000 0.218 1270 A C 2.373 179.888 177.584 -0.115 0.000 1.181 1270 A CA 2.173 54.218 52.037 0.013 0.000 0.627 1270 A CB -0.856 18.180 19.000 0.060 0.000 0.818 1270 A HN 0.386 nan 8.150 nan 0.000 0.445 1271 T N -0.520 113.916 114.554 -0.196 0.000 2.698 1271 T HA -0.037 4.313 4.350 0.001 0.000 0.260 1271 T C 1.523 176.200 174.700 -0.038 0.000 1.044 1271 T CA 1.500 63.479 62.100 -0.203 0.000 1.149 1271 T CB -0.431 68.336 68.868 -0.168 0.000 0.864 1271 T HN 0.390 nan 8.240 nan 0.000 0.419 1272 F N 1.048 121.038 119.950 0.067 0.000 2.192 1272 F HA -0.053 4.475 4.527 0.001 0.000 0.301 1272 F C 2.291 178.069 175.800 -0.036 0.000 1.079 1272 F CA 0.451 58.481 58.000 0.049 0.000 1.303 1272 F CB -0.996 38.062 39.000 0.095 0.000 1.024 1272 F HN 0.128 nan 8.300 nan 0.000 0.494 1273 M N -0.408 119.226 119.600 0.056 0.000 2.074 1273 M HA -0.092 4.388 4.480 0.001 0.000 0.258 1273 M C 2.662 178.867 176.300 -0.159 0.000 1.083 1273 M CA 1.091 56.316 55.300 -0.123 0.000 1.128 1273 M CB -1.411 31.055 32.600 -0.223 0.000 1.301 1273 M HN 0.077 nan 8.290 nan 0.000 0.417 1274 V N 0.692 120.482 119.914 -0.207 0.000 2.370 1274 V HA -0.319 3.801 4.120 0.001 0.000 0.252 1274 V C 2.223 178.224 176.094 -0.154 0.000 1.068 1274 V CA 2.002 64.144 62.300 -0.265 0.000 1.061 1274 V CB -0.643 30.821 31.823 -0.599 0.000 0.656 1274 V HN 0.445 nan 8.190 nan 0.000 0.455 1275 F N 0.281 120.050 119.950 -0.303 0.000 2.014 1275 F HA -0.271 4.256 4.527 0.001 0.000 0.295 1275 F C 2.645 178.364 175.800 -0.135 0.000 1.145 1275 F CA 2.091 59.976 58.000 -0.192 0.000 1.178 1275 F CB -0.345 38.596 39.000 -0.098 0.000 0.972 1275 F HN 0.231 nan 8.300 nan 0.000 0.476 1276 Q N 0.742 120.543 119.800 0.002 0.000 2.103 1276 Q HA -0.344 3.996 4.340 0.001 0.000 0.213 1276 Q C 2.141 178.107 176.000 -0.056 0.000 1.008 1276 Q CA 2.360 58.088 55.803 -0.125 0.000 0.879 1276 Q CB -0.500 28.155 28.738 -0.138 0.000 0.946 1276 Q HN 0.573 nan 8.270 nan 0.000 0.413 1277 A N 0.511 123.286 122.820 -0.076 0.000 1.883 1277 A HA -0.181 4.140 4.320 0.001 0.000 0.217 1277 A C 2.112 179.702 177.584 0.010 0.000 1.186 1277 A CA 1.499 53.492 52.037 -0.075 0.000 0.624 1277 A CB -0.828 18.095 19.000 -0.129 0.000 0.822 1277 A HN 0.490 nan 8.150 nan 0.000 0.444 1278 L N -0.821 120.419 121.223 0.028 0.000 1.989 1278 L HA -0.256 4.084 4.340 0.001 0.000 0.211 1278 L C 3.146 180.053 176.870 0.063 0.000 1.071 1278 L CA 1.335 56.206 54.840 0.053 0.000 0.749 1278 L CB -0.499 41.566 42.059 0.010 0.000 0.890 1278 L HN 0.465 nan 8.230 nan 0.000 0.431 1279 A N -0.933 121.911 122.820 0.041 0.000 1.902 1279 A HA -0.293 4.027 4.320 0.001 0.000 0.217 1279 A C 2.145 179.713 177.584 -0.027 0.000 1.181 1279 A CA 1.765 53.720 52.037 -0.137 0.000 0.623 1279 A CB -0.600 18.323 19.000 -0.129 0.000 0.818 1279 A HN 0.419 nan 8.150 nan 0.000 0.443 1280 Q N -0.961 118.859 119.800 0.033 0.000 2.096 1280 Q HA -0.257 4.084 4.340 0.001 0.000 0.208 1280 Q C 1.811 177.898 176.000 0.144 0.000 0.993 1280 Q CA 2.642 58.490 55.803 0.076 0.000 0.862 1280 Q CB -0.819 27.948 28.738 0.049 0.000 0.915 1280 Q HN 0.729 nan 8.270 nan 0.000 0.416 1281 Y N 0.455 120.775 120.300 0.034 0.000 2.089 1281 Y HA -0.254 4.296 4.550 0.001 0.000 0.282 1281 Y C 2.226 178.168 175.900 0.070 0.000 1.139 1281 Y CA 2.337 60.477 58.100 0.066 0.000 1.123 1281 Y CB -0.572 37.917 38.460 0.049 0.000 0.980 1281 Y HN 0.198 nan 8.280 nan 0.000 0.493 1282 Q N 0.683 120.479 119.800 -0.007 0.000 2.096 1282 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 1282 Q C 2.276 178.328 176.000 0.088 0.000 0.982 1282 Q CA 1.903 57.698 55.803 -0.013 0.000 0.850 1282 Q CB -0.255 28.600 28.738 0.195 0.000 0.901 1282 Q HN 0.423 nan 8.270 nan 0.000 0.422 1283 K N 0.306 120.804 120.400 0.162 0.000 2.001 1283 K HA -0.206 4.114 4.320 0.001 0.000 0.223 1283 K C 0.960 177.602 176.600 0.068 0.000 1.055 1283 K CA 1.790 58.201 56.287 0.207 0.000 0.965 1283 K CB -0.254 32.353 32.500 0.178 0.000 0.730 1283 K HN 0.425 nan 8.250 nan 0.000 0.449 1284 D N -0.897 119.510 120.400 0.012 0.000 2.358 1284 D HA 0.016 4.656 4.640 0.001 0.000 0.224 1284 D C -0.095 176.069 176.300 -0.226 0.000 1.123 1284 D CA 0.045 54.013 54.000 -0.054 0.000 0.833 1284 D CB 0.565 41.399 40.800 0.057 0.000 0.946 1284 D HN -0.080 nan 8.370 nan 0.000 0.505 1285 V N 1.255 120.967 119.914 -0.336 0.000 2.886 1285 V HA 0.239 4.359 4.120 0.001 0.000 0.368 1285 V C -2.452 173.314 176.094 -0.547 0.000 1.313 1285 V CA -1.142 60.849 62.300 -0.516 0.000 1.491 1285 V CB 0.926 32.270 31.823 -0.798 0.000 1.345 1285 V HN 0.106 nan 8.190 nan 0.000 0.646 1286 P HA 0.360 nan 4.420 nan 0.000 0.272 1286 P C -0.548 176.371 177.300 -0.635 0.000 1.223 1286 P CA 0.300 62.961 63.100 -0.732 0.000 0.784 1286 P CB 1.430 32.768 31.700 -0.603 0.000 0.923 1287 D N -0.910 119.022 120.400 -0.779 0.000 2.742 1287 D HA -0.018 4.623 4.640 0.001 0.000 0.302 1287 D C 1.138 177.171 176.300 -0.445 0.000 1.588 1287 D CA -0.094 53.635 54.000 -0.451 0.000 0.873 1287 D CB -0.244 40.395 40.800 -0.268 0.000 1.418 1287 D HN 0.432 nan 8.370 nan 0.000 0.420 1288 H N 2.428 121.210 119.070 -0.481 0.000 2.289 1288 H HA -0.134 4.422 4.556 0.001 0.000 0.296 1288 H C 2.272 177.097 175.328 -0.839 0.000 1.091 1288 H CA 1.369 56.980 56.048 -0.728 0.000 1.274 1288 H CB -0.072 28.815 29.762 -1.458 0.000 1.364 1288 H HN 0.237 nan 8.280 nan 0.000 0.490 1289 K N 1.508 121.333 120.400 -0.958 0.000 2.173 1289 K HA -0.212 4.108 4.320 0.001 0.000 0.207 1289 K C 1.421 177.945 176.600 -0.127 0.000 1.046 1289 K CA 1.711 57.648 56.287 -0.584 0.000 0.929 1289 K CB -0.505 31.807 32.500 -0.314 0.000 0.720 1289 K HN 0.464 nan 8.250 nan 0.000 0.453 1290 E N 0.786 120.905 120.200 -0.136 0.000 2.478 1290 E HA 0.143 4.494 4.350 0.001 0.000 0.194 1290 E C 0.391 177.008 176.600 0.027 0.000 1.045 1290 E CA -0.387 55.993 56.400 -0.034 0.000 0.868 1290 E CB 0.090 29.755 29.700 -0.057 0.000 0.885 1290 E HN 0.189 nan 8.360 nan 0.000 0.505 1291 L N 2.118 123.376 121.223 0.059 0.000 2.559 1291 L HA -0.010 4.330 4.340 0.001 0.000 0.274 1291 L C -0.364 176.584 176.870 0.129 0.000 1.205 1291 L CA 0.586 55.495 54.840 0.117 0.000 0.907 1291 L CB 0.217 42.395 42.059 0.198 0.000 1.153 1291 L HN 0.084 nan 8.230 nan 0.000 0.490 1292 N N 4.399 123.157 118.700 0.098 0.000 3.111 1292 N HA 0.253 4.994 4.740 0.001 0.000 0.200 1292 N C -1.762 173.790 175.510 0.071 0.000 1.464 1292 N CA -0.385 52.716 53.050 0.085 0.000 0.758 1292 N CB 0.381 38.911 38.487 0.072 0.000 1.548 1292 N HN 0.446 nan 8.380 nan 0.000 0.595 1293 L N 0.672 121.939 121.223 0.075 0.000 2.325 1293 L HA 0.499 4.840 4.340 0.001 0.000 0.279 1293 L C -0.069 176.839 176.870 0.064 0.000 1.054 1293 L CA -0.649 54.231 54.840 0.066 0.000 0.804 1293 L CB 1.398 43.497 42.059 0.068 0.000 1.200 1293 L HN 0.367 nan 8.230 nan 0.000 0.436 1294 D N 1.966 122.400 120.400 0.057 0.000 2.795 1294 D HA 0.223 4.864 4.640 0.001 0.000 0.335 1294 D C -0.510 175.826 176.300 0.059 0.000 1.262 1294 D CA -0.275 53.759 54.000 0.056 0.000 0.885 1294 D CB 0.604 41.430 40.800 0.044 0.000 1.047 1294 D HN 0.017 nan 8.370 nan 0.000 0.500 1295 V N 0.792 120.747 119.914 0.069 0.000 2.763 1295 V HA 0.266 4.386 4.120 0.001 0.000 0.306 1295 V C 0.746 176.888 176.094 0.079 0.000 1.059 1295 V CA -0.009 62.331 62.300 0.066 0.000 1.138 1295 V CB 1.397 33.253 31.823 0.055 0.000 0.940 1295 V HN 0.384 nan 8.190 nan 0.000 0.489 1296 S N 4.839 120.581 115.700 0.069 0.000 2.620 1296 S HA 0.503 4.973 4.470 0.001 0.000 0.244 1296 S C -0.707 173.933 174.600 0.067 0.000 1.192 1296 S CA -0.682 57.560 58.200 0.069 0.000 1.148 1296 S CB 0.136 63.367 63.200 0.052 0.000 1.106 1296 S HN 0.516 nan 8.310 nan 0.000 0.474 1297 I N 3.738 124.345 120.570 0.062 0.000 2.471 1297 I HA 0.282 4.452 4.170 0.001 0.000 0.286 1297 I C 0.274 176.408 176.117 0.029 0.000 1.079 1297 I CA -0.175 61.149 61.300 0.041 0.000 1.398 1297 I CB 0.820 38.788 38.000 -0.054 0.000 1.403 1297 I HN 0.483 nan 8.210 nan 0.000 0.530 1298 Q N 7.148 126.993 119.800 0.075 0.000 2.456 1298 Q HA 0.463 4.803 4.340 0.001 0.000 0.252 1298 Q C -1.436 174.611 176.000 0.079 0.000 1.042 1298 Q CA -0.346 55.492 55.803 0.059 0.000 0.766 1298 Q CB 1.129 29.907 28.738 0.066 0.000 1.196 1298 Q HN 0.618 nan 8.270 nan 0.000 0.504 1299 L N 6.348 127.574 121.223 0.006 0.000 2.350 1299 L HA 0.433 4.774 4.340 0.001 0.000 0.275 1299 L C -1.276 175.613 176.870 0.032 0.000 1.099 1299 L CA -1.403 53.441 54.840 0.007 0.000 0.808 1299 L CB 1.039 43.043 42.059 -0.092 0.000 1.149 1299 L HN 0.622 nan 8.230 nan 0.000 0.442 1300 P HA -0.165 nan 4.420 nan 0.000 0.214 1300 P C 1.452 178.758 177.300 0.011 0.000 1.162 1300 P CA 1.656 64.775 63.100 0.032 0.000 0.879 1300 P CB 0.074 31.794 31.700 0.034 0.000 0.786 1301 S N 0.748 116.450 115.700 0.003 0.000 2.378 1301 S HA -0.177 4.293 4.470 0.001 0.000 0.221 1301 S C 1.456 176.051 174.600 -0.008 0.000 1.037 1301 S CA 0.638 58.834 58.200 -0.007 0.000 1.069 1301 S CB -1.472 61.719 63.200 -0.014 0.000 1.006 1301 S HN 0.079 nan 8.310 nan 0.000 0.423 1302 R N 2.550 123.040 120.500 -0.016 0.000 2.784 1302 R HA 0.160 4.500 4.340 0.001 0.000 0.266 1302 R C 1.166 177.462 176.300 -0.007 0.000 1.044 1302 R CA 0.542 56.633 56.100 -0.015 0.000 1.151 1302 R CB 0.015 30.300 30.300 -0.026 0.000 1.037 1302 R HN 0.727 nan 8.270 nan 0.000 0.478 1303 N N -0.431 118.266 118.700 -0.005 0.000 2.420 1303 N HA -0.099 4.641 4.740 0.001 0.000 0.185 1303 N C -0.011 175.499 175.510 -0.001 0.000 1.033 1303 N CA 0.214 53.263 53.050 -0.001 0.000 0.879 1303 N CB -0.193 38.294 38.487 -0.000 0.000 1.071 1303 N HN 0.486 nan 8.380 nan 0.000 0.437 1304 S N 0.267 115.964 115.700 -0.004 0.000 2.513 1304 S HA 0.686 5.156 4.470 0.001 0.000 0.276 1304 S C 0.275 174.872 174.600 -0.004 0.000 1.254 1304 S CA -0.960 57.238 58.200 -0.004 0.000 1.053 1304 S CB 0.874 64.070 63.200 -0.007 0.000 0.958 1304 S HN 0.543 nan 8.310 nan 0.000 0.491 1305 A N 3.140 125.960 122.820 0.001 0.000 2.540 1305 A HA 0.406 4.726 4.320 0.001 0.000 0.239 1305 A C 0.487 178.073 177.584 0.003 0.000 1.061 1305 A CA -0.414 51.627 52.037 0.006 0.000 0.758 1305 A CB -0.136 18.873 19.000 0.015 0.000 0.991 1305 A HN 1.646 nan 8.150 nan 0.000 0.502 1306 V N 3.750 123.669 119.914 0.008 0.000 2.546 1306 V HA 0.669 4.789 4.120 0.001 0.000 0.284 1306 V C 0.196 176.329 176.094 0.065 0.000 1.050 1306 V CA -0.476 61.839 62.300 0.024 0.000 0.981 1306 V CB 0.959 32.805 31.823 0.038 0.000 0.990 1306 V HN 0.997 nan 8.190 nan 0.000 0.474 1307 R N 5.273 125.795 120.500 0.036 0.000 2.574 1307 R HA 0.534 4.874 4.340 0.001 0.000 0.288 1307 R C -1.313 174.975 176.300 -0.020 0.000 1.004 1307 R CA -0.615 55.521 56.100 0.060 0.000 0.895 1307 R CB 1.620 31.927 30.300 0.011 0.000 1.191 1307 R HN 1.019 nan 8.270 nan 0.000 0.444 1308 H N 2.283 121.352 119.070 -0.002 0.000 2.855 1308 H HA 0.499 5.055 4.556 0.001 0.000 0.363 1308 H C -0.765 174.568 175.328 0.008 0.000 1.185 1308 H CA -1.064 54.984 56.048 -0.000 0.000 1.174 1308 H CB 2.671 32.432 29.762 -0.002 0.000 1.857 1308 H HN 0.341 nan 8.280 nan 0.000 0.565 1309 R N 1.405 121.985 120.500 0.133 0.000 2.564 1309 R HA 0.459 4.799 4.340 0.001 0.000 0.284 1309 R C -1.749 174.601 176.300 0.084 0.000 1.031 1309 R CA -0.577 55.574 56.100 0.085 0.000 0.904 1309 R CB 1.406 31.734 30.300 0.046 0.000 1.199 1309 R HN 0.511 nan 8.270 nan 0.000 0.443 1310 I N 5.837 126.455 120.570 0.079 0.000 2.447 1310 I HA 0.359 4.529 4.170 0.001 0.000 0.287 1310 I C -0.863 175.307 176.117 0.089 0.000 1.023 1310 I CA -0.667 60.678 61.300 0.076 0.000 1.083 1310 I CB 1.827 39.873 38.000 0.077 0.000 1.245 1310 I HN 0.363 nan 8.210 nan 0.000 0.434 1311 L N 4.275 125.550 121.223 0.087 0.000 2.303 1311 L HA 0.395 4.735 4.340 0.001 0.000 0.266 1311 L C 1.017 178.002 176.870 0.192 0.000 1.011 1311 L CA -0.521 54.396 54.840 0.128 0.000 0.818 1311 L CB 1.638 43.752 42.059 0.091 0.000 1.326 1311 L HN 0.759 nan 8.230 nan 0.000 0.435 1312 W N 1.449 122.766 121.300 0.028 0.000 2.305 1312 W HA -0.258 4.402 4.660 0.001 0.000 0.308 1312 W C 1.768 178.288 176.519 0.002 0.000 1.226 1312 W CA 2.169 59.533 57.345 0.032 0.000 1.253 1312 W CB 0.333 29.824 29.460 0.050 0.000 1.146 1312 W HN 0.903 nan 8.180 nan 0.000 0.507 1313 E N 1.313 121.486 120.200 -0.043 0.000 2.012 1313 E HA -0.181 4.169 4.350 0.001 0.000 0.197 1313 E C 1.251 177.727 176.600 -0.205 0.000 1.007 1313 E CA 1.787 58.057 56.400 -0.217 0.000 0.816 1313 E CB -0.601 29.055 29.700 -0.072 0.000 0.762 1313 E HN 0.146 nan 8.360 nan 0.000 0.451 1314 S N 0.262 115.904 115.700 -0.097 0.000 2.546 1314 S HA -0.142 4.329 4.470 0.001 0.000 0.298 1314 S C 1.216 175.731 174.600 -0.141 0.000 1.277 1314 S CA 0.206 58.353 58.200 -0.088 0.000 1.033 1314 S CB 0.563 63.745 63.200 -0.030 0.000 0.760 1314 S HN 0.491 nan 8.310 nan 0.000 0.488 1315 A N 2.953 125.700 122.820 -0.121 0.000 1.873 1315 A HA -0.029 4.292 4.320 0.001 0.000 0.219 1315 A C 1.459 178.921 177.584 -0.204 0.000 1.269 1315 A CA 2.133 54.080 52.037 -0.150 0.000 0.671 1315 A CB -1.448 17.492 19.000 -0.101 0.000 0.842 1315 A HN 2.022 nan 8.150 nan 0.000 0.460 1316 S N -3.061 112.553 115.700 -0.144 0.000 2.632 1316 S HA 0.650 5.121 4.470 0.001 0.000 0.289 1316 S C 0.064 174.629 174.600 -0.059 0.000 1.115 1316 S CA -0.415 57.697 58.200 -0.146 0.000 0.889 1316 S CB 1.285 64.422 63.200 -0.105 0.000 1.116 1316 S HN 0.354 nan 8.310 nan 0.000 0.486 1317 L N 0.661 121.871 121.223 -0.021 0.000 2.612 1317 L HA 0.365 4.706 4.340 0.001 0.000 0.230 1317 L C -0.489 176.398 176.870 0.030 0.000 1.140 1317 L CA 0.124 54.984 54.840 0.032 0.000 0.896 1317 L CB -0.699 41.405 42.059 0.076 0.000 1.065 1317 L HN 0.422 nan 8.230 nan 0.000 0.447 1318 L N 0.140 121.371 121.223 0.014 0.000 2.333 1318 L HA 0.668 5.009 4.340 0.001 0.000 0.269 1318 L C -0.318 176.544 176.870 -0.013 0.000 1.010 1318 L CA -0.830 54.010 54.840 0.001 0.000 0.818 1318 L CB 1.754 43.818 42.059 0.008 0.000 1.306 1318 L HN -0.003 nan 8.230 nan 0.000 0.430 1319 R N 1.218 121.682 120.500 -0.060 0.000 2.523 1319 R HA 0.402 4.742 4.340 0.001 0.000 0.278 1319 R C -1.221 174.961 176.300 -0.197 0.000 1.150 1319 R CA -0.422 55.603 56.100 -0.125 0.000 0.987 1319 R CB 2.127 32.278 30.300 -0.250 0.000 1.232 1319 R HN 0.877 nan 8.270 nan 0.000 0.424 1320 S N 0.577 116.194 115.700 -0.137 0.000 2.726 1320 S HA 0.704 5.175 4.470 0.001 0.000 0.308 1320 S C -0.487 174.041 174.600 -0.120 0.000 1.115 1320 S CA -0.656 57.471 58.200 -0.123 0.000 0.965 1320 S CB 2.741 65.905 63.200 -0.061 0.000 1.145 1320 S HN 0.493 nan 8.310 nan 0.000 0.532 1321 E N 0.328 120.466 120.200 -0.104 0.000 2.646 1321 E HA 0.261 4.611 4.350 0.001 0.000 0.336 1321 E C -1.377 175.169 176.600 -0.090 0.000 1.027 1321 E CA -0.070 56.279 56.400 -0.085 0.000 0.765 1321 E CB 0.730 30.361 29.700 -0.115 0.000 1.545 1321 E HN 0.704 nan 8.360 nan 0.000 0.382 1322 E N 0.925 121.092 120.200 -0.056 0.000 2.392 1322 E HA 0.492 4.842 4.350 0.001 0.000 0.256 1322 E C -0.033 176.532 176.600 -0.058 0.000 1.145 1322 E CA -0.186 56.184 56.400 -0.048 0.000 0.929 1322 E CB 1.229 30.915 29.700 -0.024 0.000 0.998 1322 E HN 0.313 nan 8.360 nan 0.000 0.442 1323 T N -0.397 114.127 114.554 -0.050 0.000 2.886 1323 T HA 0.267 4.618 4.350 0.001 0.000 0.330 1323 T C -1.390 173.296 174.700 -0.023 0.000 1.488 1323 T CA -0.940 61.131 62.100 -0.049 0.000 1.054 1323 T CB 0.946 69.763 68.868 -0.086 0.000 1.348 1323 T HN 0.420 nan 8.240 nan 0.000 0.489 1324 K N 2.481 122.873 120.400 -0.014 0.000 3.010 1324 K HA 0.312 4.633 4.320 0.001 0.000 0.211 1324 K C 0.458 177.052 176.600 -0.010 0.000 1.146 1324 K CA -0.546 55.740 56.287 -0.001 0.000 1.070 1324 K CB 0.709 33.218 32.500 0.014 0.000 0.908 1324 K HN 0.401 nan 8.250 nan 0.000 0.463 1325 E N 0.567 120.755 120.200 -0.020 0.000 2.290 1325 E HA -0.029 4.321 4.350 0.001 0.000 0.199 1325 E C -0.031 176.544 176.600 -0.043 0.000 0.912 1325 E CA 0.289 56.671 56.400 -0.029 0.000 0.924 1325 E CB 0.044 29.730 29.700 -0.022 0.000 0.901 1325 E HN 0.363 nan 8.360 nan 0.000 0.487 1326 N N 1.826 120.510 118.700 -0.027 0.000 2.681 1326 N HA -0.201 4.539 4.740 0.001 0.000 0.259 1326 N C -1.344 174.140 175.510 -0.043 0.000 1.066 1326 N CA 0.697 53.719 53.050 -0.046 0.000 0.717 1326 N CB -0.892 37.526 38.487 -0.115 0.000 0.885 1326 N HN 0.117 nan 8.380 nan 0.000 0.547 1327 E N 0.042 120.253 120.200 0.018 0.000 2.314 1327 E HA 0.352 4.703 4.350 0.001 0.000 0.272 1327 E C -0.434 176.219 176.600 0.088 0.000 0.884 1327 E CA -1.140 55.271 56.400 0.019 0.000 0.753 1327 E CB 1.167 30.877 29.700 0.017 0.000 1.213 1327 E HN 0.490 nan 8.360 nan 0.000 0.432 1328 R N 1.720 122.229 120.500 0.014 0.000 2.679 1328 R HA 0.350 4.691 4.340 0.001 0.000 0.268 1328 R C -0.403 175.939 176.300 0.071 0.000 1.044 1328 R CA 0.069 56.143 56.100 -0.044 0.000 1.105 1328 R CB -0.004 30.236 30.300 -0.100 0.000 0.989 1328 R HN 0.382 nan 8.270 nan 0.000 0.447 1329 F N -1.587 118.341 119.950 -0.036 0.000 2.849 1329 F HA 0.796 5.323 4.527 0.001 0.000 0.341 1329 F C -0.957 174.829 175.800 -0.024 0.000 1.185 1329 F CA -1.027 56.956 58.000 -0.028 0.000 1.007 1329 F CB 1.313 40.298 39.000 -0.025 0.000 1.454 1329 F HN 0.745 nan 8.300 nan 0.000 0.518 1330 T N -0.726 113.993 114.554 0.275 0.000 2.933 1330 T HA 0.746 5.097 4.350 0.001 0.000 0.305 1330 T C -1.485 173.342 174.700 0.211 0.000 1.092 1330 T CA -0.706 61.461 62.100 0.112 0.000 1.008 1330 T CB 1.297 70.191 68.868 0.044 0.000 1.102 1330 T HN 0.752 nan 8.240 nan 0.000 0.469 1331 V N 1.957 121.953 119.914 0.136 0.000 2.815 1331 V HA 0.723 4.843 4.120 0.001 0.000 0.314 1331 V C -0.198 175.937 176.094 0.069 0.000 1.064 1331 V CA -1.016 61.361 62.300 0.130 0.000 0.952 1331 V CB 1.873 33.778 31.823 0.135 0.000 1.020 1331 V HN 0.966 nan 8.190 nan 0.000 0.439 1332 K N 1.457 121.894 120.400 0.062 0.000 2.426 1332 K HA 0.895 5.215 4.320 0.001 0.000 0.251 1332 K C -1.056 175.570 176.600 0.045 0.000 0.941 1332 K CA -0.660 55.654 56.287 0.044 0.000 0.808 1332 K CB 2.663 35.186 32.500 0.039 0.000 1.265 1332 K HN 0.905 nan 8.250 nan 0.000 0.432 1333 A N 2.065 124.908 122.820 0.039 0.000 2.520 1333 A HA 0.592 4.913 4.320 0.001 0.000 0.298 1333 A C -1.503 176.104 177.584 0.038 0.000 1.051 1333 A CA -0.697 51.365 52.037 0.042 0.000 0.690 1333 A CB 1.414 20.439 19.000 0.043 0.000 1.281 1333 A HN 0.735 nan 8.150 nan 0.000 0.402 1334 E N 0.176 120.401 120.200 0.041 0.000 2.367 1334 E HA 0.666 5.016 4.350 0.001 0.000 0.273 1334 E C -0.184 176.441 176.600 0.042 0.000 0.903 1334 E CA -0.401 56.022 56.400 0.038 0.000 0.764 1334 E CB 2.405 32.124 29.700 0.033 0.000 1.252 1334 E HN 2.039 nan 8.360 nan 0.000 0.446 1335 G N 1.750 110.574 108.800 0.040 0.000 2.690 1335 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 1335 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 1335 G C -0.845 174.083 174.900 0.047 0.000 1.277 1335 G CA -0.971 44.155 45.100 0.043 0.000 0.799 1335 G HN 0.371 nan 8.290 nan 0.000 0.613 1336 K N 0.287 120.714 120.400 0.044 0.000 2.485 1336 K HA 0.485 4.805 4.320 0.001 0.000 0.277 1336 K C 0.835 177.466 176.600 0.052 0.000 0.990 1336 K CA 1.086 57.399 56.287 0.043 0.000 0.994 1336 K CB 0.623 33.142 32.500 0.030 0.000 0.906 1336 K HN 2.036 nan 8.250 nan 0.000 0.488 1337 G N 0.834 109.666 108.800 0.053 0.000 2.345 1337 G HA2 0.039 3.999 3.960 0.001 0.000 0.310 1337 G HA3 0.039 3.999 3.960 0.001 0.000 0.310 1337 G C -1.862 173.081 174.900 0.072 0.000 1.476 1337 G CA -0.880 44.259 45.100 0.065 0.000 0.978 1337 G HN 0.508 nan 8.290 nan 0.000 0.656 1338 Q N 0.372 120.221 119.800 0.082 0.000 3.021 1338 Q HA 0.564 4.905 4.340 0.001 0.000 0.234 1338 Q C 0.287 176.337 176.000 0.085 0.000 0.930 1338 Q CA 0.024 55.878 55.803 0.086 0.000 0.714 1338 Q CB 0.507 29.302 28.738 0.096 0.000 1.325 1338 Q HN 1.269 nan 8.270 nan 0.000 0.473 1339 G N 0.612 109.454 108.800 0.070 0.000 2.828 1339 G HA2 0.740 4.700 3.960 0.001 0.000 0.244 1339 G HA3 0.740 4.700 3.960 0.001 0.000 0.244 1339 G C -0.793 174.130 174.900 0.039 0.000 1.365 1339 G CA -0.405 44.730 45.100 0.058 0.000 1.041 1339 G HN 0.365 nan 8.290 nan 0.000 0.560 1340 T N -0.279 114.288 114.554 0.021 0.000 2.909 1340 T HA 0.506 4.857 4.350 0.001 0.000 0.299 1340 T C -1.294 173.403 174.700 -0.005 0.000 1.073 1340 T CA -0.271 61.830 62.100 0.002 0.000 0.999 1340 T CB 1.839 70.699 68.868 -0.014 0.000 1.098 1340 T HN 0.611 nan 8.240 nan 0.000 0.477 1341 L N 2.585 123.802 121.223 -0.010 0.000 2.356 1341 L HA 0.863 5.203 4.340 0.001 0.000 0.277 1341 L C -0.470 176.388 176.870 -0.019 0.000 0.996 1341 L CA -0.080 54.758 54.840 -0.003 0.000 0.822 1341 L CB 1.695 43.765 42.059 0.019 0.000 1.256 1341 L HN 0.771 nan 8.230 nan 0.000 0.413 1342 S N 3.096 118.785 115.700 -0.018 0.000 2.599 1342 S HA 0.901 5.371 4.470 0.001 0.000 0.287 1342 S C -1.053 173.548 174.600 0.002 0.000 1.105 1342 S CA -0.751 57.427 58.200 -0.036 0.000 0.899 1342 S CB 2.019 65.180 63.200 -0.066 0.000 1.100 1342 S HN 0.542 nan 8.310 nan 0.000 0.482 1343 V N 1.980 121.895 119.914 0.001 0.000 2.595 1343 V HA 0.350 4.470 4.120 0.001 0.000 0.269 1343 V C -0.695 175.410 176.094 0.018 0.000 0.982 1343 V CA -0.532 61.797 62.300 0.048 0.000 0.873 1343 V CB 1.162 33.056 31.823 0.120 0.000 1.051 1343 V HN 0.859 nan 8.190 nan 0.000 0.466 1344 V N 3.134 123.054 119.914 0.010 0.000 2.716 1344 V HA 0.785 4.906 4.120 0.001 0.000 0.304 1344 V C 0.461 176.572 176.094 0.029 0.000 1.053 1344 V CA -0.204 62.100 62.300 0.006 0.000 0.984 1344 V CB 2.095 33.916 31.823 -0.004 0.000 1.021 1344 V HN 0.893 nan 8.190 nan 0.000 0.467 1345 T N 1.569 116.150 114.554 0.045 0.000 2.916 1345 T HA 0.703 5.053 4.350 0.001 0.000 0.298 1345 T C -1.150 173.623 174.700 0.122 0.000 1.031 1345 T CA -0.519 61.621 62.100 0.066 0.000 0.993 1345 T CB 1.598 70.493 68.868 0.046 0.000 1.045 1345 T HN 0.395 nan 8.240 nan 0.000 0.454 1346 V N 5.698 125.676 119.914 0.106 0.000 2.513 1346 V HA 0.829 4.949 4.120 0.001 0.000 0.299 1346 V C -0.595 175.578 176.094 0.131 0.000 1.035 1346 V CA -0.804 61.539 62.300 0.073 0.000 0.889 1346 V CB 0.453 32.268 31.823 -0.013 0.000 0.988 1346 V HN 1.070 nan 8.190 nan 0.000 0.440 1347 Y N 1.201 121.405 120.300 -0.160 0.000 2.853 1347 Y HA 0.647 5.198 4.550 0.001 0.000 0.326 1347 Y C -1.003 174.699 175.900 -0.329 0.000 1.384 1347 Y CA -1.308 56.690 58.100 -0.170 0.000 1.077 1347 Y CB 1.464 39.901 38.460 -0.039 0.000 1.395 1347 Y HN 0.516 nan 8.280 nan 0.000 0.451 1348 H N 1.108 120.161 119.070 -0.028 0.000 2.459 1348 H HA 0.801 5.357 4.556 0.001 0.000 0.332 1348 H C -0.967 174.322 175.328 -0.066 0.000 1.094 1348 H CA -0.319 55.663 56.048 -0.111 0.000 1.224 1348 H CB 1.769 31.539 29.762 0.014 0.000 1.449 1348 H HN 0.908 nan 8.280 nan 0.000 0.484 1349 A N 3.619 126.401 122.820 -0.064 0.000 2.374 1349 A HA 0.444 4.764 4.320 0.001 0.000 0.317 1349 A C 0.347 177.971 177.584 0.068 0.000 1.094 1349 A CA -0.836 51.228 52.037 0.044 0.000 0.765 1349 A CB 1.787 20.771 19.000 -0.027 0.000 1.268 1349 A HN 0.686 nan 8.150 nan 0.000 0.438 1350 K N -0.024 120.413 120.400 0.062 0.000 3.073 1350 K HA 0.578 4.899 4.320 0.001 0.000 0.232 1350 K C -0.237 176.348 176.600 -0.026 0.000 1.135 1350 K CA 0.179 56.461 56.287 -0.010 0.000 1.428 1350 K CB -0.171 32.312 32.500 -0.029 0.000 1.921 1350 K HN 0.753 nan 8.250 nan 0.000 0.546 1351 L N -2.071 119.104 121.223 -0.080 0.000 2.540 1351 L HA 0.460 4.801 4.340 0.001 0.000 0.256 1351 L C -1.572 175.294 176.870 -0.007 0.000 1.001 1351 L CA -1.091 53.727 54.840 -0.037 0.000 0.843 1351 L CB 1.920 43.825 42.059 -0.258 0.000 1.436 1351 L HN 0.431 nan 8.230 nan 0.000 0.410 1352 K N 0.421 120.855 120.400 0.057 0.000 2.877 1352 K HA 0.523 4.844 4.320 0.001 0.000 0.176 1352 K C 0.119 176.766 176.600 0.077 0.000 1.075 1352 K CA -0.346 55.970 56.287 0.049 0.000 0.939 1352 K CB 0.987 33.517 32.500 0.050 0.000 1.237 1352 K HN 0.907 nan 8.250 nan 0.000 0.607 1353 G N 2.368 111.217 108.800 0.082 0.000 2.228 1353 G HA2 -0.185 3.776 3.960 0.001 0.000 0.242 1353 G HA3 -0.185 3.776 3.960 0.001 0.000 0.242 1353 G C 0.053 175.012 174.900 0.098 0.000 0.987 1353 G CA 0.697 45.868 45.100 0.118 0.000 0.893 1353 G HN 0.816 nan 8.290 nan 0.000 0.418 1354 K N -1.098 119.368 120.400 0.111 0.000 3.575 1354 K HA -0.218 4.103 4.320 0.001 0.000 0.272 1354 K C 0.623 177.269 176.600 0.077 0.000 1.019 1354 K CA 1.501 57.839 56.287 0.085 0.000 1.123 1354 K CB -1.545 30.994 32.500 0.065 0.000 1.364 1354 K HN 0.438 nan 8.250 nan 0.000 0.482 1355 V N 0.967 120.927 119.914 0.078 0.000 2.716 1355 V HA 0.401 4.522 4.120 0.001 0.000 0.304 1355 V C 0.900 177.040 176.094 0.078 0.000 1.053 1355 V CA 0.104 62.445 62.300 0.067 0.000 0.984 1355 V CB 1.579 33.434 31.823 0.054 0.000 1.021 1355 V HN 0.386 nan 8.190 nan 0.000 0.467 1356 S N 1.232 116.973 115.700 0.067 0.000 3.766 1356 S HA -0.185 4.286 4.470 0.001 0.000 0.416 1356 S C -0.516 174.134 174.600 0.083 0.000 0.902 1356 S CA 0.548 58.789 58.200 0.069 0.000 1.283 1356 S CB -0.969 62.273 63.200 0.070 0.000 0.891 1356 S HN 1.985 nan 8.310 nan 0.000 0.556 1357 c N 4.214 122.866 118.600 0.087 0.000 2.887 1357 c HA 0.706 5.276 4.570 0.001 0.000 0.379 1357 c C -0.845 173.312 174.090 0.113 0.000 1.064 1357 c CA 0.031 56.424 56.329 0.106 0.000 1.282 1357 c CB 0.318 42.890 42.510 0.102 0.000 1.749 1357 c HN 0.939 nan 8.230 nan 0.000 0.489 1358 K N 4.056 124.539 120.400 0.138 0.000 2.477 1358 K HA 0.764 5.084 4.320 0.001 0.000 0.255 1358 K C 0.237 176.950 176.600 0.189 0.000 0.952 1358 K CA -0.568 55.797 56.287 0.129 0.000 0.826 1358 K CB 1.191 33.748 32.500 0.096 0.000 1.331 1358 K HN 0.260 nan 8.250 nan 0.000 0.437 1359 K N -0.143 120.326 120.400 0.116 0.000 3.407 1359 K HA -0.145 4.175 4.320 0.001 0.000 0.312 1359 K C -1.377 175.250 176.600 0.045 0.000 1.302 1359 K CA 1.065 57.393 56.287 0.068 0.000 0.931 1359 K CB -1.452 31.158 32.500 0.183 0.000 1.257 1359 K HN 0.702 nan 8.250 nan 0.000 0.454 1360 F N -0.721 119.315 119.950 0.144 0.000 2.688 1360 F HA 0.305 4.832 4.527 0.001 0.000 0.308 1360 F C -0.312 175.547 175.800 0.098 0.000 1.117 1360 F CA -1.097 57.006 58.000 0.171 0.000 0.976 1360 F CB 1.677 40.779 39.000 0.170 0.000 1.291 1360 F HN -0.288 nan 8.300 nan 0.000 0.439 1361 D N 2.664 123.244 120.400 0.299 0.000 2.248 1361 D HA 0.612 5.252 4.640 0.001 0.000 0.246 1361 D C -1.449 174.962 176.300 0.185 0.000 1.027 1361 D CA -0.080 54.027 54.000 0.179 0.000 0.853 1361 D CB 2.223 43.093 40.800 0.116 0.000 1.243 1361 D HN 0.361 nan 8.370 nan 0.000 0.462 1362 L N 2.772 124.065 121.223 0.117 0.000 2.580 1362 L HA 0.430 4.771 4.340 0.001 0.000 0.266 1362 L C -1.453 175.442 176.870 0.041 0.000 0.955 1362 L CA -0.459 54.425 54.840 0.072 0.000 0.886 1362 L CB 1.638 43.724 42.059 0.044 0.000 1.263 1362 L HN 0.476 nan 8.230 nan 0.000 0.406 1363 R N 4.030 124.545 120.500 0.025 0.000 2.637 1363 R HA 0.854 5.195 4.340 0.001 0.000 0.291 1363 R C -1.935 174.351 176.300 -0.024 0.000 0.963 1363 R CA -0.489 55.618 56.100 0.012 0.000 0.901 1363 R CB 2.133 32.442 30.300 0.016 0.000 1.160 1363 R HN 0.436 nan 8.270 nan 0.000 0.457 1364 V N 2.930 122.828 119.914 -0.025 0.000 2.612 1364 V HA 0.407 4.528 4.120 0.001 0.000 0.301 1364 V C -1.045 175.020 176.094 -0.049 0.000 1.059 1364 V CA -0.601 61.654 62.300 -0.075 0.000 0.886 1364 V CB 2.095 33.870 31.823 -0.081 0.000 1.007 1364 V HN 0.870 nan 8.190 nan 0.000 0.426 1365 S N 4.709 120.348 115.700 -0.102 0.000 2.548 1365 S HA 0.810 5.281 4.470 0.001 0.000 0.286 1365 S C -0.905 173.621 174.600 -0.123 0.000 1.098 1365 S CA -0.511 57.650 58.200 -0.066 0.000 0.930 1365 S CB 2.220 65.390 63.200 -0.051 0.000 1.070 1365 S HN 0.689 nan 8.310 nan 0.000 0.480 1366 I N 2.539 123.073 120.570 -0.060 0.000 2.802 1366 I HA 0.729 4.900 4.170 0.001 0.000 0.298 1366 I C -1.527 174.570 176.117 -0.034 0.000 1.176 1366 I CA -0.739 60.511 61.300 -0.085 0.000 1.025 1366 I CB 1.661 39.630 38.000 -0.051 0.000 1.243 1366 I HN 0.877 nan 8.210 nan 0.000 0.424 1367 R N 6.226 126.698 120.500 -0.047 0.000 2.629 1367 R HA 0.537 4.878 4.340 0.001 0.000 0.266 1367 R C -3.129 173.168 176.300 -0.004 0.000 1.051 1367 R CA -1.540 54.553 56.100 -0.011 0.000 0.895 1367 R CB 1.533 31.823 30.300 -0.016 0.000 1.246 1367 R HN 0.189 nan 8.270 nan 0.000 0.459 1368 P HA -0.040 nan 4.420 nan 0.000 0.262 1368 P C -0.156 177.154 177.300 0.017 0.000 1.182 1368 P CA 0.347 63.471 63.100 0.040 0.000 0.761 1368 P CB 0.762 32.492 31.700 0.049 0.000 0.795 1369 A N 6.683 129.514 122.820 0.019 0.000 2.366 1369 A HA 0.373 4.693 4.320 0.001 0.000 0.250 1369 A C -1.612 175.979 177.584 0.010 0.000 1.099 1369 A CA -1.041 51.000 52.037 0.006 0.000 0.794 1369 A CB -1.371 17.638 19.000 0.016 0.000 1.056 1369 A HN 0.503 nan 8.150 nan 0.000 0.499 1370 P HA 0.097 nan 4.420 nan 0.000 0.269 1370 P C 0.057 177.364 177.300 0.011 0.000 1.215 1370 P CA 0.071 63.174 63.100 0.004 0.000 0.780 1370 P CB 0.806 32.505 31.700 -0.001 0.000 0.898 1371 E N 0.831 121.037 120.200 0.010 0.000 2.077 1371 E HA -0.138 4.212 4.350 0.001 0.000 0.193 1371 E C 1.257 177.864 176.600 0.012 0.000 0.989 1371 E CA 1.872 58.279 56.400 0.011 0.000 0.800 1371 E CB -0.612 29.094 29.700 0.009 0.000 0.746 1371 E HN 0.613 nan 8.360 nan 0.000 0.452 1372 T N -1.152 113.408 114.554 0.009 0.000 3.745 1372 T HA 0.073 4.424 4.350 0.001 0.000 0.253 1372 T C 0.270 174.978 174.700 0.013 0.000 1.088 1372 T CA -0.286 61.820 62.100 0.010 0.000 0.969 1372 T CB -0.402 68.470 68.868 0.007 0.000 1.075 1372 T HN -0.088 nan 8.240 nan 0.000 0.608 1373 V N 1.643 121.567 119.914 0.017 0.000 2.732 1373 V HA 0.384 4.504 4.120 0.001 0.000 0.310 1373 V C 0.274 176.385 176.094 0.028 0.000 1.053 1373 V CA -1.490 60.825 62.300 0.024 0.000 0.957 1373 V CB 1.510 33.353 31.823 0.034 0.000 1.018 1373 V HN 0.629 nan 8.190 nan 0.000 0.452 1374 K N 5.266 125.685 120.400 0.032 0.000 2.081 1374 K HA 0.207 4.527 4.320 0.001 0.000 0.230 1374 K C -0.128 176.481 176.600 0.016 0.000 1.199 1374 K CA -0.278 56.025 56.287 0.027 0.000 1.130 1374 K CB 0.027 32.544 32.500 0.028 0.000 1.386 1374 K HN 0.425 nan 8.250 nan 0.000 0.280 1375 K N 2.936 123.330 120.400 -0.010 0.000 2.172 1375 K HA 0.265 4.585 4.320 0.001 0.000 0.276 1375 K C -2.764 173.755 176.600 -0.136 0.000 1.013 1375 K CA -2.172 54.065 56.287 -0.083 0.000 0.913 1375 K CB 1.046 33.522 32.500 -0.039 0.000 1.055 1375 K HN 0.085 nan 8.250 nan 0.000 0.461 1376 P HA -0.074 nan 4.420 nan 0.000 0.261 1376 P C 0.580 177.847 177.300 -0.056 0.000 1.183 1376 P CA 0.065 63.083 63.100 -0.136 0.000 0.761 1376 P CB 0.614 32.211 31.700 -0.171 0.000 0.785 1377 Q N 3.293 123.113 119.800 0.032 0.000 2.268 1377 Q HA -0.309 4.031 4.340 0.001 0.000 0.210 1377 Q C 0.990 177.013 176.000 0.038 0.000 0.988 1377 Q CA 2.033 57.867 55.803 0.052 0.000 0.883 1377 Q CB -1.001 27.812 28.738 0.126 0.000 0.911 1377 Q HN 0.475 nan 8.270 nan 0.000 0.430 1378 D N 0.731 121.176 120.400 0.076 0.000 2.249 1378 D HA 0.088 4.728 4.640 0.001 0.000 0.205 1378 D C -0.140 176.178 176.300 0.030 0.000 0.962 1378 D CA 0.654 54.711 54.000 0.096 0.000 0.860 1378 D CB 0.221 41.143 40.800 0.202 0.000 0.955 1378 D HN 0.325 nan 8.370 nan 0.000 0.505 1379 A N 1.226 123.960 122.820 -0.143 0.000 2.409 1379 A HA 0.132 4.452 4.320 0.001 0.000 0.267 1379 A C 0.897 178.309 177.584 -0.286 0.000 1.127 1379 A CA -0.299 51.439 52.037 -0.498 0.000 0.795 1379 A CB 0.304 18.809 19.000 -0.825 0.000 1.061 1379 A HN 0.049 nan 8.150 nan 0.000 0.502 1380 K N 2.127 122.367 120.400 -0.266 0.000 2.668 1380 K HA 0.245 4.565 4.320 0.001 0.000 0.204 1380 K C 0.593 177.117 176.600 -0.127 0.000 1.016 1380 K CA 0.710 56.901 56.287 -0.161 0.000 1.131 1380 K CB -0.535 31.883 32.500 -0.137 0.000 0.891 1380 K HN 1.134 nan 8.250 nan 0.000 0.499 1381 G N 0.806 109.524 108.800 -0.136 0.000 2.316 1381 G HA2 -0.012 3.949 3.960 0.001 0.000 0.468 1381 G HA3 -0.012 3.949 3.960 0.001 0.000 0.468 1381 G C -1.087 173.811 174.900 -0.003 0.000 1.523 1381 G CA -0.747 44.322 45.100 -0.052 0.000 0.972 1381 G HN 0.148 nan 8.290 nan 0.000 0.667 1382 S N 0.089 115.842 115.700 0.088 0.000 2.569 1382 S HA 0.896 5.366 4.470 0.001 0.000 0.280 1382 S C -0.272 174.406 174.600 0.131 0.000 1.111 1382 S CA -0.815 57.489 58.200 0.173 0.000 0.887 1382 S CB 2.201 65.641 63.200 0.401 0.000 1.095 1382 S HN 0.894 nan 8.310 nan 0.000 0.476 1383 M N 1.390 121.061 119.600 0.118 0.000 2.761 1383 M HA 0.589 5.069 4.480 0.001 0.000 0.305 1383 M C -1.124 175.133 176.300 -0.073 0.000 1.235 1383 M CA -0.800 54.521 55.300 0.035 0.000 0.850 1383 M CB 1.869 34.500 32.600 0.052 0.000 1.744 1383 M HN 0.597 nan 8.290 nan 0.000 0.480 1384 I N 1.929 122.435 120.570 -0.106 0.000 2.378 1384 I HA 0.415 4.586 4.170 0.001 0.000 0.291 1384 I C -1.325 174.635 176.117 -0.261 0.000 0.992 1384 I CA -0.809 60.385 61.300 -0.178 0.000 1.154 1384 I CB 1.631 39.545 38.000 -0.143 0.000 1.315 1384 I HN 0.377 nan 8.210 nan 0.000 0.448 1385 L N 6.808 127.775 121.223 -0.426 0.000 2.325 1385 L HA 0.501 4.841 4.340 0.001 0.000 0.281 1385 L C -1.028 175.444 176.870 -0.664 0.000 1.004 1385 L CA -0.046 54.449 54.840 -0.574 0.000 0.823 1385 L CB 1.180 42.776 42.059 -0.771 0.000 1.236 1385 L HN 0.451 nan 8.230 nan 0.000 0.415 1386 D N 6.747 126.871 120.400 -0.461 0.000 2.308 1386 D HA 0.446 5.086 4.640 0.001 0.000 0.242 1386 D C -0.475 175.629 176.300 -0.326 0.000 1.059 1386 D CA -0.024 53.751 54.000 -0.376 0.000 0.830 1386 D CB 2.324 42.980 40.800 -0.240 0.000 1.161 1386 D HN 0.384 nan 8.370 nan 0.000 0.494 1387 I N 1.232 121.627 120.570 -0.290 0.000 2.474 1387 I HA 0.359 4.529 4.170 0.001 0.000 0.294 1387 I C -0.491 175.571 176.117 -0.092 0.000 1.005 1387 I CA -0.719 60.467 61.300 -0.191 0.000 1.113 1387 I CB 2.288 40.188 38.000 -0.166 0.000 1.289 1387 I HN 0.249 nan 8.210 nan 0.000 0.436 1388 c N 4.365 122.938 118.600 -0.046 0.000 2.607 1388 c HA 0.698 5.268 4.570 0.001 0.000 0.350 1388 c C -0.177 173.942 174.090 0.048 0.000 1.101 1388 c CA -0.112 56.226 56.329 0.015 0.000 1.282 1388 c CB 1.236 43.754 42.510 0.013 0.000 1.825 1388 c HN 0.888 nan 8.230 nan 0.000 0.460 1389 T N 3.786 118.395 114.554 0.093 0.000 2.906 1389 T HA 0.706 5.056 4.350 0.001 0.000 0.295 1389 T C -1.551 173.271 174.700 0.204 0.000 1.075 1389 T CA -0.435 61.754 62.100 0.149 0.000 1.005 1389 T CB 1.641 70.600 68.868 0.152 0.000 1.136 1389 T HN 0.894 nan 8.240 nan 0.000 0.498 1390 K N 2.483 123.037 120.400 0.257 0.000 2.501 1390 K HA 0.349 4.670 4.320 0.001 0.000 0.252 1390 K C -1.754 174.992 176.600 0.243 0.000 0.934 1390 K CA -0.866 55.553 56.287 0.220 0.000 0.797 1390 K CB 2.053 34.623 32.500 0.116 0.000 1.270 1390 K HN 0.790 nan 8.250 nan 0.000 0.431 1391 Y N 4.230 124.516 120.300 -0.023 0.000 2.304 1391 Y HA 0.216 4.767 4.550 0.001 0.000 0.327 1391 Y C 0.220 176.001 175.900 -0.198 0.000 1.209 1391 Y CA -0.527 57.365 58.100 -0.346 0.000 1.299 1391 Y CB 0.764 39.054 38.460 -0.284 0.000 1.249 1391 Y HN 0.533 nan 8.280 nan 0.000 0.519 1392 L N 6.078 126.811 121.223 -0.818 0.000 3.017 1392 L HA 0.363 4.704 4.340 0.001 0.000 0.255 1392 L C 0.612 177.070 176.870 -0.685 0.000 1.247 1392 L CA -0.208 54.297 54.840 -0.558 0.000 1.038 1392 L CB -0.220 41.657 42.059 -0.304 0.000 1.380 1392 L HN 0.687 nan 8.230 nan 0.000 0.548 1393 G N -1.470 106.657 108.800 -1.121 0.000 2.509 1393 G HA2 0.167 4.127 3.960 0.001 0.000 0.328 1393 G HA3 0.167 4.127 3.960 0.001 0.000 0.328 1393 G C 0.063 174.780 174.900 -0.304 0.000 1.194 1393 G CA -0.330 44.369 45.100 -0.668 0.000 0.967 1393 G HN -0.027 nan 8.290 nan 0.000 0.488 1394 D N -0.437 119.867 120.400 -0.160 0.000 2.403 1394 D HA -0.010 4.630 4.640 0.001 0.000 0.227 1394 D C 0.791 176.970 176.300 -0.203 0.000 0.995 1394 D CA 1.243 55.209 54.000 -0.057 0.000 0.928 1394 D CB 0.445 41.274 40.800 0.048 0.000 0.887 1394 D HN 0.377 nan 8.370 nan 0.000 0.529 1395 Q N -0.473 119.091 119.800 -0.393 0.000 2.553 1395 Q HA 0.224 4.564 4.340 0.001 0.000 0.293 1395 Q C -1.284 174.467 176.000 -0.416 0.000 1.038 1395 Q CA -0.884 54.596 55.803 -0.539 0.000 0.777 1395 Q CB 1.748 30.355 28.738 -0.217 0.000 1.487 1395 Q HN -0.188 nan 8.270 nan 0.000 0.426 1396 D N 0.993 121.256 120.400 -0.229 0.000 2.424 1396 D HA 0.279 4.919 4.640 0.001 0.000 0.244 1396 D C -0.582 175.762 176.300 0.072 0.000 1.134 1396 D CA 0.407 54.479 54.000 0.121 0.000 0.881 1396 D CB 0.882 41.752 40.800 0.116 0.000 1.191 1396 D HN 0.552 nan 8.370 nan 0.000 0.445 1397 A N 2.755 125.575 122.820 -0.001 0.000 2.483 1397 A HA 0.310 4.631 4.320 0.001 0.000 0.238 1397 A C 0.905 178.383 177.584 -0.176 0.000 1.070 1397 A CA -0.028 51.693 52.037 -0.526 0.000 0.770 1397 A CB 0.448 18.905 19.000 -0.904 0.000 1.008 1397 A HN 0.545 nan 8.150 nan 0.000 0.497 1398 T N 0.970 115.434 114.554 -0.150 0.000 2.973 1398 T HA 0.405 4.755 4.350 0.001 0.000 0.308 1398 T C 0.755 175.483 174.700 0.047 0.000 1.177 1398 T CA -0.357 61.714 62.100 -0.049 0.000 0.938 1398 T CB 0.127 68.941 68.868 -0.091 0.000 1.791 1398 T HN 0.747 nan 8.240 nan 0.000 0.581 1399 M N 2.097 121.769 119.600 0.119 0.000 2.286 1399 M HA 0.130 4.610 4.480 0.001 0.000 0.365 1399 M C -0.804 175.609 176.300 0.190 0.000 1.443 1399 M CA 0.604 56.018 55.300 0.190 0.000 0.951 1399 M CB -0.229 32.533 32.600 0.270 0.000 1.961 1399 M HN 0.456 nan 8.290 nan 0.000 0.468 1400 S N 5.298 121.070 115.700 0.119 0.000 2.709 1400 S HA 0.798 5.268 4.470 0.001 0.000 0.302 1400 S C -0.777 173.759 174.600 -0.108 0.000 1.127 1400 S CA -0.871 57.337 58.200 0.013 0.000 0.905 1400 S CB 1.758 64.933 63.200 -0.042 0.000 1.151 1400 S HN 0.765 nan 8.310 nan 0.000 0.510 1401 I N 1.159 121.484 120.570 -0.409 0.000 2.686 1401 I HA 0.422 4.592 4.170 0.001 0.000 0.295 1401 I C -1.538 174.191 176.117 -0.647 0.000 1.114 1401 I CA -0.622 60.355 61.300 -0.537 0.000 1.038 1401 I CB 1.864 39.492 38.000 -0.620 0.000 1.238 1401 I HN 0.310 nan 8.210 nan 0.000 0.420 1402 L N 4.994 125.963 121.223 -0.422 0.000 2.298 1402 L HA 0.380 4.720 4.340 0.001 0.000 0.284 1402 L C -0.561 176.155 176.870 -0.257 0.000 1.013 1402 L CA -0.337 54.313 54.840 -0.317 0.000 0.824 1402 L CB 1.333 43.286 42.059 -0.177 0.000 1.221 1402 L HN 0.511 nan 8.230 nan 0.000 0.418 1403 D N 5.909 126.176 120.400 -0.222 0.000 2.499 1403 D HA 0.290 4.931 4.640 0.001 0.000 0.225 1403 D C -0.482 175.782 176.300 -0.060 0.000 1.124 1403 D CA -0.358 53.573 54.000 -0.115 0.000 0.938 1403 D CB 0.670 41.441 40.800 -0.049 0.000 1.014 1403 D HN 0.332 nan 8.370 nan 0.000 0.517 1404 I N 2.694 123.246 120.570 -0.031 0.000 2.297 1404 I HA 0.060 4.231 4.170 0.001 0.000 0.291 1404 I C 0.777 176.940 176.117 0.077 0.000 1.033 1404 I CA -0.478 60.836 61.300 0.025 0.000 1.253 1404 I CB 1.320 39.342 38.000 0.036 0.000 1.396 1404 I HN 0.190 nan 8.210 nan 0.000 0.476 1405 S N 7.537 123.309 115.700 0.121 0.000 2.508 1405 S HA 0.598 5.069 4.470 0.001 0.000 0.284 1405 S C -0.128 174.587 174.600 0.193 0.000 1.192 1405 S CA -1.017 57.257 58.200 0.124 0.000 1.070 1405 S CB 1.203 64.458 63.200 0.092 0.000 1.004 1405 S HN 0.394 nan 8.310 nan 0.000 0.493 1406 M N 2.971 122.679 119.600 0.181 0.000 2.255 1406 M HA 0.329 4.810 4.480 0.001 0.000 0.336 1406 M C 0.167 176.565 176.300 0.163 0.000 1.135 1406 M CA -0.022 55.414 55.300 0.226 0.000 1.145 1406 M CB 0.612 33.368 32.600 0.259 0.000 1.473 1406 M HN 0.684 nan 8.290 nan 0.000 0.462 1407 M N 1.430 121.114 119.600 0.140 0.000 2.233 1407 M HA 0.124 4.604 4.480 0.001 0.000 0.350 1407 M C 0.539 177.020 176.300 0.301 0.000 1.176 1407 M CA -0.296 55.081 55.300 0.129 0.000 1.150 1407 M CB 0.428 33.070 32.600 0.070 0.000 1.530 1407 M HN 0.748 nan 8.290 nan 0.000 0.459 1408 T N 0.373 115.027 114.554 0.166 0.000 2.709 1408 T HA 0.233 4.584 4.350 0.001 0.000 0.269 1408 T C 1.106 175.889 174.700 0.138 0.000 1.008 1408 T CA 0.387 62.559 62.100 0.120 0.000 1.194 1408 T CB -0.108 68.770 68.868 0.017 0.000 0.986 1408 T HN 1.033 nan 8.240 nan 0.000 0.508 1409 G N 2.738 111.630 108.800 0.153 0.000 2.424 1409 G HA2 -0.186 3.775 3.960 0.001 0.000 0.207 1409 G HA3 -0.186 3.775 3.960 0.001 0.000 0.207 1409 G C -0.032 175.044 174.900 0.293 0.000 1.061 1409 G CA -0.490 44.743 45.100 0.223 0.000 0.657 1409 G HN 0.682 nan 8.290 nan 0.000 0.508 1410 F N 1.826 121.943 119.950 0.278 0.000 2.490 1410 F HA 0.623 5.150 4.527 0.001 0.000 0.336 1410 F C 1.029 177.003 175.800 0.290 0.000 1.178 1410 F CA 1.137 59.305 58.000 0.281 0.000 1.301 1410 F CB 1.600 40.719 39.000 0.198 0.000 1.175 1410 F HN 0.192 nan 8.300 nan 0.000 0.593 1411 S N 2.586 118.613 115.700 0.544 0.000 2.548 1411 S HA 0.392 4.863 4.470 0.001 0.000 0.278 1411 S C -2.934 171.871 174.600 0.341 0.000 1.150 1411 S CA -1.368 57.061 58.200 0.382 0.000 0.907 1411 S CB 1.480 64.883 63.200 0.340 0.000 1.108 1411 S HN 0.276 nan 8.310 nan 0.000 0.459 1412 P HA 0.092 nan 4.420 nan 0.000 0.269 1412 P C -0.923 176.448 177.300 0.119 0.000 1.209 1412 P CA -0.089 63.078 63.100 0.113 0.000 0.776 1412 P CB 0.383 32.048 31.700 -0.058 0.000 0.876 1413 D N 2.100 122.541 120.400 0.069 0.000 2.338 1413 D HA 0.021 4.661 4.640 0.001 0.000 0.255 1413 D C 1.241 177.549 176.300 0.014 0.000 1.237 1413 D CA -0.192 53.903 54.000 0.158 0.000 0.883 1413 D CB 0.839 41.732 40.800 0.155 0.000 1.087 1413 D HN -0.029 nan 8.370 nan 0.000 0.485 1414 V N 4.285 124.230 119.914 0.053 0.000 2.594 1414 V HA -0.168 3.952 4.120 0.001 0.000 0.253 1414 V C 2.286 178.362 176.094 -0.030 0.000 1.069 1414 V CA 1.134 63.426 62.300 -0.012 0.000 1.082 1414 V CB -0.338 31.529 31.823 0.072 0.000 0.680 1414 V HN 0.498 nan 8.190 nan 0.000 0.469 1415 E N 0.071 120.281 120.200 0.016 0.000 2.107 1415 E HA -0.135 4.216 4.350 0.001 0.000 0.191 1415 E C 1.999 178.587 176.600 -0.021 0.000 0.982 1415 E CA 0.897 57.303 56.400 0.010 0.000 0.809 1415 E CB -0.306 29.414 29.700 0.032 0.000 0.756 1415 E HN 0.578 nan 8.360 nan 0.000 0.459 1416 D N 0.356 120.738 120.400 -0.029 0.000 2.084 1416 D HA -0.099 4.541 4.640 0.001 0.000 0.196 1416 D C 2.195 178.416 176.300 -0.131 0.000 0.985 1416 D CA 0.666 54.639 54.000 -0.044 0.000 0.826 1416 D CB -0.160 40.646 40.800 0.010 0.000 0.978 1416 D HN 0.176 nan 8.370 nan 0.000 0.456 1417 L N 0.771 121.814 121.223 -0.300 0.000 2.079 1417 L HA -0.177 4.163 4.340 0.001 0.000 0.210 1417 L C 2.539 179.222 176.870 -0.311 0.000 1.081 1417 L CA 1.079 55.602 54.840 -0.528 0.000 0.752 1417 L CB -0.452 40.911 42.059 -1.161 0.000 0.896 1417 L HN 0.014 nan 8.230 nan 0.000 0.433 1418 K N 0.295 120.605 120.400 -0.150 0.000 2.026 1418 K HA -0.200 4.121 4.320 0.001 0.000 0.208 1418 K C 2.269 178.894 176.600 0.042 0.000 1.048 1418 K CA 2.055 58.364 56.287 0.037 0.000 0.929 1418 K CB -0.124 32.416 32.500 0.067 0.000 0.713 1418 K HN 0.415 nan 8.250 nan 0.000 0.439 1419 T N -0.317 114.248 114.554 0.019 0.000 2.788 1419 T HA -0.127 4.223 4.350 0.001 0.000 0.268 1419 T C 1.933 176.685 174.700 0.086 0.000 1.044 1419 T CA 1.184 63.314 62.100 0.050 0.000 1.139 1419 T CB -0.381 68.509 68.868 0.037 0.000 0.867 1419 T HN 0.219 nan 8.240 nan 0.000 0.454 1420 L N 0.888 122.146 121.223 0.057 0.000 2.362 1420 L HA 0.077 4.417 4.340 0.001 0.000 0.219 1420 L C 2.213 179.156 176.870 0.123 0.000 1.134 1420 L CA 0.873 55.794 54.840 0.135 0.000 0.807 1420 L CB -0.207 41.863 42.059 0.019 0.000 0.927 1420 L HN 0.332 nan 8.230 nan 0.000 0.447 1421 S N -2.324 113.424 115.700 0.079 0.000 2.559 1421 S HA 0.084 4.555 4.470 0.001 0.000 0.226 1421 S C 1.351 176.006 174.600 0.092 0.000 1.000 1421 S CA 0.122 58.374 58.200 0.086 0.000 0.948 1421 S CB 0.634 63.929 63.200 0.157 0.000 0.870 1421 S HN 0.362 nan 8.310 nan 0.000 0.497 1422 T N 0.326 114.935 114.554 0.092 0.000 2.954 1422 T HA 0.259 4.609 4.350 0.001 0.000 0.252 1422 T C 1.236 175.977 174.700 0.067 0.000 0.983 1422 T CA 0.109 62.277 62.100 0.113 0.000 0.941 1422 T CB 0.099 69.044 68.868 0.128 0.000 1.141 1422 T HN 0.359 nan 8.240 nan 0.000 0.500 1423 G N 1.135 109.960 108.800 0.041 0.000 2.732 1423 G HA2 0.280 4.241 3.960 0.001 0.000 0.244 1423 G HA3 0.280 4.241 3.960 0.001 0.000 0.244 1423 G C 1.164 176.048 174.900 -0.026 0.000 1.226 1423 G CA -0.378 44.738 45.100 0.027 0.000 0.860 1423 G HN 0.130 nan 8.290 nan 0.000 0.583 1424 V N 0.754 120.661 119.914 -0.012 0.000 2.490 1424 V HA -0.079 4.041 4.120 0.001 0.000 0.250 1424 V C 1.269 177.262 176.094 -0.169 0.000 1.061 1424 V CA 2.020 64.280 62.300 -0.066 0.000 1.064 1424 V CB -0.576 31.226 31.823 -0.035 0.000 0.670 1424 V HN 0.817 nan 8.190 nan 0.000 0.461 1425 D N 1.079 121.333 120.400 -0.243 0.000 2.522 1425 D HA 0.100 4.741 4.640 0.001 0.000 0.218 1425 D C 0.172 176.084 176.300 -0.647 0.000 1.149 1425 D CA -0.314 53.424 54.000 -0.437 0.000 0.981 1425 D CB 0.123 40.633 40.800 -0.482 0.000 1.041 1425 D HN 0.243 nan 8.370 nan 0.000 0.518 1426 R N 1.372 121.649 120.500 -0.372 0.000 2.347 1426 R HA 0.129 4.470 4.340 0.001 0.000 0.304 1426 R C -0.183 175.932 176.300 -0.308 0.000 1.072 1426 R CA -0.210 55.724 56.100 -0.276 0.000 0.980 1426 R CB 0.671 30.921 30.300 -0.084 0.000 0.986 1426 R HN 0.431 nan 8.270 nan 0.000 0.448 1427 Y N 2.470 122.749 120.300 -0.034 0.000 2.444 1427 Y HA 0.333 4.883 4.550 0.001 0.000 0.249 1427 Y C 0.402 176.304 175.900 0.004 0.000 1.134 1427 Y CA -0.002 58.063 58.100 -0.058 0.000 1.261 1427 Y CB 0.774 39.116 38.460 -0.196 0.000 1.143 1427 Y HN 0.299 nan 8.280 nan 0.000 0.523 1428 I N -1.084 119.543 120.570 0.095 0.000 2.644 1428 I HA 0.141 4.311 4.170 0.001 0.000 0.291 1428 I C 0.253 176.318 176.117 -0.086 0.000 1.180 1428 I CA -0.217 61.097 61.300 0.024 0.000 1.040 1428 I CB 2.406 40.433 38.000 0.045 0.000 1.255 1428 I HN -0.222 nan 8.210 nan 0.000 0.422 1429 S N 3.349 118.880 115.700 -0.281 0.000 2.406 1429 S HA 0.088 4.558 4.470 0.001 0.000 0.224 1429 S C 0.357 174.624 174.600 -0.555 0.000 1.030 1429 S CA 0.700 58.514 58.200 -0.642 0.000 0.958 1429 S CB 0.223 62.464 63.200 -1.599 0.000 0.811 1429 S HN 0.633 nan 8.310 nan 0.000 0.489 1430 K N -0.345 119.851 120.400 -0.340 0.000 2.610 1430 K HA 0.359 4.679 4.320 0.001 0.000 0.278 1430 K C -2.138 174.598 176.600 0.226 0.000 0.964 1430 K CA -0.819 55.414 56.287 -0.089 0.000 0.859 1430 K CB 1.243 33.653 32.500 -0.150 0.000 1.434 1430 K HN 0.210 nan 8.250 nan 0.000 0.410 1431 Y N -0.275 120.082 120.300 0.096 0.000 2.609 1431 Y HA 0.726 5.276 4.550 0.001 0.000 0.342 1431 Y C -1.474 174.493 175.900 0.113 0.000 1.058 1431 Y CA -0.759 57.406 58.100 0.108 0.000 1.055 1431 Y CB 1.791 40.224 38.460 -0.046 0.000 1.292 1431 Y HN 0.733 nan 8.280 nan 0.000 0.476 1432 E N 1.962 122.244 120.200 0.137 0.000 2.389 1432 E HA 0.348 4.698 4.350 0.001 0.000 0.281 1432 E C -1.624 175.022 176.600 0.076 0.000 1.072 1432 E CA -1.144 55.263 56.400 0.012 0.000 0.845 1432 E CB 1.411 31.146 29.700 0.057 0.000 1.239 1432 E HN 0.520 nan 8.360 nan 0.000 0.434 1433 M N 1.533 121.147 119.600 0.024 0.000 2.159 1433 M HA 0.402 4.883 4.480 0.001 0.000 0.293 1433 M C -0.345 175.931 176.300 -0.040 0.000 1.186 1433 M CA -0.466 54.825 55.300 -0.014 0.000 1.073 1433 M CB 0.097 32.664 32.600 -0.055 0.000 1.419 1433 M HN 0.760 nan 8.290 nan 0.000 0.490 1434 N N -0.348 118.303 118.700 -0.082 0.000 2.533 1434 N HA 0.362 5.102 4.740 0.001 0.000 0.289 1434 N C -1.121 174.329 175.510 -0.100 0.000 1.103 1434 N CA -0.526 52.487 53.050 -0.062 0.000 0.877 1434 N CB 1.445 39.919 38.487 -0.021 0.000 1.419 1434 N HN 0.429 nan 8.380 nan 0.000 0.517 1435 R N 1.407 121.865 120.500 -0.070 0.000 3.064 1435 R HA 0.127 4.468 4.340 0.001 0.000 0.280 1435 R C 0.173 176.509 176.300 0.062 0.000 1.182 1435 R CA 0.163 56.249 56.100 -0.024 0.000 1.155 1435 R CB -0.018 30.289 30.300 0.011 0.000 1.112 1435 R HN 0.762 nan 8.270 nan 0.000 0.564 1436 D N -2.167 118.313 120.400 0.133 0.000 2.913 1436 D HA -0.214 4.426 4.640 0.001 0.000 0.228 1436 D C -1.118 175.262 176.300 0.134 0.000 1.180 1436 D CA 1.312 55.394 54.000 0.136 0.000 0.761 1436 D CB -1.955 38.913 40.800 0.114 0.000 1.085 1436 D HN 0.510 nan 8.370 nan 0.000 0.420 1437 S N -1.790 114.010 115.700 0.168 0.000 2.596 1437 S HA 0.472 4.942 4.470 0.001 0.000 0.318 1437 S C 1.118 175.840 174.600 0.204 0.000 1.097 1437 S CA -0.734 57.553 58.200 0.144 0.000 1.080 1437 S CB 1.908 65.170 63.200 0.103 0.000 0.991 1437 S HN 0.018 nan 8.310 nan 0.000 0.471 1438 N N 2.720 121.502 118.700 0.136 0.000 2.225 1438 N HA -0.220 4.520 4.740 0.001 0.000 0.198 1438 N C 0.088 175.681 175.510 0.138 0.000 0.959 1438 N CA 1.750 54.855 53.050 0.091 0.000 0.915 1438 N CB -0.305 38.225 38.487 0.072 0.000 1.072 1438 N HN 0.706 nan 8.380 nan 0.000 0.620 1439 K N 1.309 121.826 120.400 0.195 0.000 2.207 1439 K HA 0.214 4.535 4.320 0.001 0.000 0.255 1439 K C -0.411 176.369 176.600 0.299 0.000 0.941 1439 K CA -0.868 55.569 56.287 0.250 0.000 0.825 1439 K CB 1.074 33.659 32.500 0.141 0.000 1.119 1439 K HN -0.094 nan 8.250 nan 0.000 0.430 1440 N N 2.671 121.579 118.700 0.346 0.000 2.332 1440 N HA -0.048 4.692 4.740 0.001 0.000 0.274 1440 N C -1.021 174.509 175.510 0.033 0.000 1.351 1440 N CA 0.518 53.580 53.050 0.019 0.000 0.875 1440 N CB 0.193 38.733 38.487 0.088 0.000 1.140 1440 N HN 0.571 nan 8.380 nan 0.000 0.489 1441 T N 0.918 115.455 114.554 -0.027 0.000 2.856 1441 T HA 0.527 4.877 4.350 0.001 0.000 0.283 1441 T C -0.147 174.549 174.700 -0.006 0.000 1.008 1441 T CA -1.046 61.061 62.100 0.011 0.000 0.997 1441 T CB 1.841 70.720 68.868 0.018 0.000 0.992 1441 T HN 0.278 nan 8.240 nan 0.000 0.454 1442 L N 3.130 124.360 121.223 0.012 0.000 2.298 1442 L HA 0.670 5.011 4.340 0.001 0.000 0.284 1442 L C -1.122 175.736 176.870 -0.021 0.000 1.013 1442 L CA -0.924 53.919 54.840 0.004 0.000 0.824 1442 L CB 0.403 42.457 42.059 -0.009 0.000 1.221 1442 L HN 0.755 nan 8.230 nan 0.000 0.418 1443 I N 6.024 126.582 120.570 -0.019 0.000 2.392 1443 I HA 0.412 4.582 4.170 0.001 0.000 0.295 1443 I C -0.407 175.666 176.117 -0.073 0.000 0.985 1443 I CA -0.348 60.886 61.300 -0.109 0.000 1.221 1443 I CB 1.481 39.380 38.000 -0.169 0.000 1.366 1443 I HN 0.552 nan 8.210 nan 0.000 0.467 1444 I N 6.361 126.838 120.570 -0.155 0.000 2.466 1444 I HA 0.293 4.464 4.170 0.001 0.000 0.289 1444 I C -1.168 174.880 176.117 -0.115 0.000 1.026 1444 I CA -0.648 60.631 61.300 -0.035 0.000 1.078 1444 I CB 1.644 39.618 38.000 -0.042 0.000 1.249 1444 I HN 0.400 nan 8.210 nan 0.000 0.429 1445 Y N 6.354 126.643 120.300 -0.020 0.000 2.326 1445 Y HA 0.518 5.069 4.550 0.001 0.000 0.337 1445 Y C -0.112 175.730 175.900 -0.098 0.000 1.023 1445 Y CA -0.681 57.411 58.100 -0.012 0.000 1.143 1445 Y CB 1.107 39.629 38.460 0.104 0.000 1.183 1445 Y HN 0.258 nan 8.280 nan 0.000 0.485 1446 L N 3.240 124.519 121.223 0.093 0.000 2.322 1446 L HA 0.340 4.680 4.340 0.001 0.000 0.281 1446 L C 0.205 177.143 176.870 0.114 0.000 1.014 1446 L CA -0.700 54.178 54.840 0.063 0.000 0.815 1446 L CB 1.643 43.736 42.059 0.057 0.000 1.247 1446 L HN 0.626 nan 8.230 nan 0.000 0.421 1447 D N 1.358 121.812 120.400 0.090 0.000 2.178 1447 D HA -0.085 4.555 4.640 0.001 0.000 0.202 1447 D C 0.296 176.666 176.300 0.116 0.000 0.974 1447 D CA 1.505 55.591 54.000 0.144 0.000 0.841 1447 D CB 0.341 41.209 40.800 0.113 0.000 0.953 1447 D HN 0.568 nan 8.370 nan 0.000 0.478 1448 K N -2.683 117.776 120.400 0.098 0.000 2.580 1448 K HA 0.620 4.940 4.320 0.001 0.000 0.288 1448 K C -1.705 174.960 176.600 0.108 0.000 1.041 1448 K CA -0.973 55.361 56.287 0.079 0.000 0.855 1448 K CB 1.564 34.094 32.500 0.051 0.000 1.543 1448 K HN -0.276 nan 8.250 nan 0.000 0.388 1449 V N 0.837 120.816 119.914 0.108 0.000 2.610 1449 V HA 0.411 4.532 4.120 0.001 0.000 0.298 1449 V C -0.693 175.510 176.094 0.181 0.000 1.067 1449 V CA -0.794 61.613 62.300 0.179 0.000 0.894 1449 V CB 1.671 33.682 31.823 0.313 0.000 1.015 1449 V HN 0.869 nan 8.190 nan 0.000 0.432 1450 S N 3.422 119.215 115.700 0.154 0.000 2.558 1450 S HA 0.010 4.481 4.470 0.001 0.000 0.291 1450 S C 1.143 175.863 174.600 0.200 0.000 1.306 1450 S CA 0.438 58.717 58.200 0.130 0.000 1.056 1450 S CB 0.146 63.370 63.200 0.041 0.000 0.836 1450 S HN 1.016 nan 8.310 nan 0.000 0.504 1451 H N 2.577 121.701 119.070 0.089 0.000 2.652 1451 H HA 0.230 4.786 4.556 0.001 0.000 0.274 1451 H C 0.951 176.279 175.328 -0.001 0.000 1.021 1451 H CA 0.524 56.608 56.048 0.060 0.000 1.187 1451 H CB -0.464 29.333 29.762 0.059 0.000 1.505 1451 H HN 0.595 nan 8.280 nan 0.000 0.530 1452 T N 1.222 115.501 114.554 -0.457 0.000 2.990 1452 T HA 0.136 4.487 4.350 0.001 0.000 0.237 1452 T C 1.365 175.958 174.700 -0.180 0.000 1.009 1452 T CA 1.058 62.904 62.100 -0.423 0.000 1.195 1452 T CB -0.232 68.409 68.868 -0.378 0.000 0.885 1452 T HN 0.267 nan 8.240 nan 0.000 0.424 1453 V N -0.171 119.676 119.914 -0.111 0.000 3.438 1453 V HA 0.619 4.739 4.120 0.001 0.000 0.298 1453 V C -0.457 175.639 176.094 0.004 0.000 1.148 1453 V CA -1.143 61.127 62.300 -0.050 0.000 0.994 1453 V CB 1.392 33.187 31.823 -0.047 0.000 1.236 1453 V HN 0.359 nan 8.190 nan 0.000 0.455 1454 E N -0.005 120.217 120.200 0.037 0.000 2.179 1454 E HA 0.356 4.706 4.350 0.001 0.000 0.275 1454 E C -1.574 175.101 176.600 0.125 0.000 0.945 1454 E CA -0.730 55.719 56.400 0.082 0.000 0.792 1454 E CB 1.463 31.206 29.700 0.072 0.000 1.125 1454 E HN 0.798 nan 8.360 nan 0.000 0.397 1455 D N 3.328 123.827 120.400 0.166 0.000 2.373 1455 D HA 0.221 4.862 4.640 0.001 0.000 0.227 1455 D C -0.759 175.666 176.300 0.208 0.000 1.091 1455 D CA -0.220 53.922 54.000 0.236 0.000 0.840 1455 D CB 0.883 41.846 40.800 0.271 0.000 1.060 1455 D HN 0.311 nan 8.370 nan 0.000 0.502 1456 c N 2.238 120.990 118.600 0.253 0.000 2.351 1456 c HA 0.658 5.229 4.570 0.001 0.000 0.359 1456 c C -0.402 173.710 174.090 0.038 0.000 1.193 1456 c CA -0.459 55.947 56.329 0.129 0.000 2.270 1456 c CB 0.803 43.381 42.510 0.113 0.000 2.369 1456 c HN 0.457 nan 8.230 nan 0.000 0.553 1457 L N 2.020 123.197 121.223 -0.077 0.000 2.526 1457 L HA 0.556 4.897 4.340 0.001 0.000 0.263 1457 L C -0.434 176.308 176.870 -0.213 0.000 0.943 1457 L CA 0.304 55.073 54.840 -0.118 0.000 0.859 1457 L CB 1.839 43.913 42.059 0.026 0.000 1.313 1457 L HN 0.699 nan 8.230 nan 0.000 0.406 1458 S N 3.762 119.311 115.700 -0.252 0.000 2.557 1458 S HA 0.944 5.414 4.470 0.001 0.000 0.291 1458 S C -1.267 173.211 174.600 -0.203 0.000 1.116 1458 S CA -0.350 57.639 58.200 -0.352 0.000 0.992 1458 S CB 0.700 63.707 63.200 -0.322 0.000 1.028 1458 S HN 0.417 nan 8.310 nan 0.000 0.484 1459 F N 0.958 120.783 119.950 -0.209 0.000 2.693 1459 F HA 0.641 5.169 4.527 0.001 0.000 0.309 1459 F C -0.974 174.712 175.800 -0.191 0.000 1.129 1459 F CA -1.245 56.641 58.000 -0.191 0.000 0.948 1459 F CB 0.751 39.633 39.000 -0.196 0.000 1.315 1459 F HN 0.357 nan 8.300 nan 0.000 0.447 1460 K N 1.536 121.964 120.400 0.046 0.000 2.118 1460 K HA 0.708 5.028 4.320 0.001 0.000 0.264 1460 K C -1.041 175.474 176.600 -0.141 0.000 1.000 1460 K CA -1.064 55.149 56.287 -0.123 0.000 0.929 1460 K CB 2.171 34.566 32.500 -0.176 0.000 1.021 1460 K HN 0.694 nan 8.250 nan 0.000 0.463 1461 V N -0.431 119.358 119.914 -0.208 0.000 2.482 1461 V HA 0.343 4.464 4.120 0.001 0.000 0.295 1461 V C -0.622 175.482 176.094 0.016 0.000 1.026 1461 V CA -0.986 61.281 62.300 -0.056 0.000 0.856 1461 V CB 1.186 33.059 31.823 0.083 0.000 1.001 1461 V HN 0.682 nan 8.190 nan 0.000 0.424 1462 H N 3.377 122.619 119.070 0.287 0.000 2.481 1462 H HA 0.519 5.075 4.556 0.001 0.000 0.339 1462 H C -0.557 174.731 175.328 -0.067 0.000 1.131 1462 H CA -0.296 55.789 56.048 0.062 0.000 1.301 1462 H CB 2.213 31.853 29.762 -0.205 0.000 1.476 1462 H HN 0.871 nan 8.280 nan 0.000 0.529 1463 Q N 1.600 121.217 119.800 -0.306 0.000 2.293 1463 Q HA 0.183 4.523 4.340 0.001 0.000 0.261 1463 Q C -0.849 174.878 176.000 -0.456 0.000 0.960 1463 Q CA -0.577 54.839 55.803 -0.646 0.000 0.882 1463 Q CB 0.747 28.844 28.738 -1.067 0.000 1.275 1463 Q HN 0.648 nan 8.270 nan 0.000 0.445 1464 Y N 2.832 123.044 120.300 -0.147 0.000 2.467 1464 Y HA 0.327 4.877 4.550 0.001 0.000 0.250 1464 Y C -0.804 174.723 175.900 -0.623 0.000 1.155 1464 Y CA -0.154 57.769 58.100 -0.296 0.000 1.249 1464 Y CB 0.800 39.086 38.460 -0.290 0.000 1.146 1464 Y HN 0.432 nan 8.280 nan 0.000 0.524 1465 F N -0.483 119.464 119.950 -0.004 0.000 2.613 1465 F HA 0.357 4.884 4.527 0.001 0.000 0.310 1465 F C -0.518 175.249 175.800 -0.055 0.000 1.085 1465 F CA -1.516 56.477 58.000 -0.011 0.000 0.945 1465 F CB 1.166 40.168 39.000 0.004 0.000 1.298 1465 F HN -0.252 nan 8.300 nan 0.000 0.455 1466 N N 1.986 120.776 118.700 0.149 0.000 2.406 1466 N HA 0.369 5.109 4.740 0.001 0.000 0.251 1466 N C -1.129 174.437 175.510 0.093 0.000 1.069 1466 N CA -0.045 53.051 53.050 0.077 0.000 0.947 1466 N CB 1.630 40.147 38.487 0.050 0.000 1.111 1466 N HN 0.215 nan 8.380 nan 0.000 0.497 1467 V N 0.858 120.815 119.914 0.072 0.000 2.417 1467 V HA 0.589 4.709 4.120 0.001 0.000 0.291 1467 V C 0.842 176.973 176.094 0.061 0.000 1.024 1467 V CA -0.990 61.348 62.300 0.063 0.000 0.861 1467 V CB 1.674 33.534 31.823 0.062 0.000 0.985 1467 V HN 0.634 nan 8.190 nan 0.000 0.436 1468 G N 3.245 112.074 108.800 0.049 0.000 2.367 1468 G HA2 0.576 4.537 3.960 0.001 0.000 0.314 1468 G HA3 0.576 4.537 3.960 0.001 0.000 0.314 1468 G C -0.031 174.898 174.900 0.048 0.000 1.130 1468 G CA -0.753 44.375 45.100 0.048 0.000 0.864 1468 G HN 0.958 nan 8.290 nan 0.000 0.486 1469 L N 0.575 121.830 121.223 0.053 0.000 3.608 1469 L HA -0.158 4.183 4.340 0.001 0.000 0.422 1469 L C 0.665 177.581 176.870 0.076 0.000 1.260 1469 L CA -0.241 54.632 54.840 0.055 0.000 0.889 1469 L CB -1.517 40.570 42.059 0.047 0.000 1.821 1469 L HN 0.590 nan 8.230 nan 0.000 0.884 1470 I N 1.064 121.696 120.570 0.103 0.000 2.648 1470 I HA 0.033 4.204 4.170 0.001 0.000 0.284 1470 I C 1.043 177.200 176.117 0.066 0.000 1.153 1470 I CA 0.073 61.428 61.300 0.092 0.000 1.426 1470 I CB 0.545 38.621 38.000 0.127 0.000 1.381 1470 I HN 0.202 nan 8.210 nan 0.000 0.571 1471 Q N 8.439 128.232 119.800 -0.012 0.000 2.259 1471 Q HA 0.401 4.741 4.340 0.001 0.000 0.246 1471 Q C -2.229 173.583 176.000 -0.313 0.000 0.920 1471 Q CA -1.739 54.017 55.803 -0.078 0.000 0.895 1471 Q CB 0.937 29.662 28.738 -0.022 0.000 1.220 1471 Q HN 0.436 nan 8.270 nan 0.000 0.439 1472 P HA 0.058 nan 4.420 nan 0.000 0.271 1472 P C -0.153 176.903 177.300 -0.407 0.000 1.218 1472 P CA 0.018 62.761 63.100 -0.595 0.000 0.780 1472 P CB 0.738 32.273 31.700 -0.274 0.000 0.901 1473 G N 0.727 109.031 108.800 -0.826 0.000 2.543 1473 G HA2 0.606 4.567 3.960 0.001 0.000 0.290 1473 G HA3 0.606 4.567 3.960 0.001 0.000 0.290 1473 G C -1.116 173.569 174.900 -0.358 0.000 1.310 1473 G CA -0.469 44.168 45.100 -0.771 0.000 1.025 1473 G HN 0.728 nan 8.290 nan 0.000 0.502 1474 A N -1.600 121.226 122.820 0.011 0.000 2.549 1474 A HA 0.644 4.965 4.320 0.001 0.000 0.297 1474 A C -1.414 176.175 177.584 0.008 0.000 1.061 1474 A CA -0.427 51.562 52.037 -0.080 0.000 0.690 1474 A CB 1.970 20.744 19.000 -0.376 0.000 1.287 1474 A HN 1.142 nan 8.150 nan 0.000 0.402 1475 V N 2.424 122.266 119.914 -0.120 0.000 2.376 1475 V HA 0.456 4.577 4.120 0.001 0.000 0.287 1475 V C 0.001 175.996 176.094 -0.166 0.000 1.015 1475 V CA -0.537 61.695 62.300 -0.114 0.000 0.834 1475 V CB 1.392 33.145 31.823 -0.117 0.000 1.001 1475 V HN 0.901 nan 8.190 nan 0.000 0.428 1476 K N 3.693 124.011 120.400 -0.137 0.000 2.156 1476 K HA 0.828 5.148 4.320 0.001 0.000 0.254 1476 K C -1.612 174.884 176.600 -0.175 0.000 0.950 1476 K CA -0.498 55.723 56.287 -0.111 0.000 0.849 1476 K CB 2.367 34.853 32.500 -0.023 0.000 1.100 1476 K HN 0.473 nan 8.250 nan 0.000 0.434 1477 V N 5.245 125.027 119.914 -0.219 0.000 2.789 1477 V HA 0.699 4.819 4.120 0.001 0.000 0.311 1477 V C -2.004 173.802 176.094 -0.479 0.000 1.073 1477 V CA -0.364 61.662 62.300 -0.456 0.000 0.921 1477 V CB 1.509 33.032 31.823 -0.501 0.000 1.009 1477 V HN 0.886 nan 8.190 nan 0.000 0.426 1478 Y N 2.003 122.010 120.300 -0.489 0.000 2.656 1478 Y HA 0.733 5.284 4.550 0.001 0.000 0.334 1478 Y C -0.524 175.217 175.900 -0.264 0.000 1.179 1478 Y CA -1.049 56.819 58.100 -0.386 0.000 1.050 1478 Y CB 1.121 39.459 38.460 -0.203 0.000 1.308 1478 Y HN 0.601 nan 8.280 nan 0.000 0.456 1479 S N 0.790 116.631 115.700 0.235 0.000 2.545 1479 S HA 0.148 4.618 4.470 0.001 0.000 0.275 1479 S C 0.379 175.133 174.600 0.258 0.000 1.299 1479 S CA -0.331 58.022 58.200 0.255 0.000 1.048 1479 S CB 0.168 63.547 63.200 0.299 0.000 0.938 1479 S HN 0.752 nan 8.310 nan 0.000 0.496 1480 Y N 4.727 125.084 120.300 0.094 0.000 2.242 1480 Y HA -0.034 4.516 4.550 0.001 0.000 0.291 1480 Y C 0.550 176.221 175.900 -0.383 0.000 1.137 1480 Y CA 1.625 59.660 58.100 -0.109 0.000 1.181 1480 Y CB -0.040 38.250 38.460 -0.283 0.000 0.989 1480 Y HN 0.867 nan 8.280 nan 0.000 0.527 1481 Y N -0.140 120.230 120.300 0.118 0.000 2.645 1481 Y HA 0.237 4.787 4.550 0.001 0.000 0.307 1481 Y C 0.080 175.758 175.900 -0.369 0.000 1.151 1481 Y CA -0.198 57.871 58.100 -0.051 0.000 1.291 1481 Y CB -0.033 38.482 38.460 0.093 0.000 1.135 1481 Y HN 0.055 nan 8.280 nan 0.000 0.523 1482 N N 0.250 118.825 118.700 -0.208 0.000 3.409 1482 N HA 0.030 4.771 4.740 0.001 0.000 0.169 1482 N C 0.004 175.444 175.510 -0.116 0.000 1.443 1482 N CA 0.017 52.921 53.050 -0.243 0.000 0.933 1482 N CB -0.376 38.020 38.487 -0.152 0.000 1.669 1482 N HN 0.235 nan 8.380 nan 0.000 0.640 1483 L N -0.666 120.378 121.223 -0.298 0.000 2.563 1483 L HA -0.163 4.178 4.340 0.001 0.000 0.230 1483 L C 0.850 177.713 176.870 -0.013 0.000 1.162 1483 L CA 0.997 55.661 54.840 -0.293 0.000 0.812 1483 L CB -0.254 41.428 42.059 -0.628 0.000 0.935 1483 L HN 0.312 nan 8.230 nan 0.000 0.451 1484 D N 0.363 120.813 120.400 0.084 0.000 2.183 1484 D HA -0.073 4.567 4.640 0.001 0.000 0.203 1484 D C 0.648 177.046 176.300 0.163 0.000 0.969 1484 D CA 0.776 54.857 54.000 0.135 0.000 0.842 1484 D CB 0.096 40.966 40.800 0.116 0.000 0.957 1484 D HN 0.422 nan 8.370 nan 0.000 0.484 1485 E N 0.361 120.696 120.200 0.226 0.000 2.003 1485 E HA 0.305 4.655 4.350 0.001 0.000 0.279 1485 E C -0.240 176.619 176.600 0.432 0.000 1.132 1485 E CA -0.002 56.621 56.400 0.372 0.000 0.888 1485 E CB 0.954 30.936 29.700 0.470 0.000 1.056 1485 E HN -0.128 nan 8.360 nan 0.000 0.399 1486 T N 1.540 116.304 114.554 0.350 0.000 2.893 1486 T HA 0.303 4.653 4.350 0.001 0.000 0.337 1486 T C -1.864 172.933 174.700 0.162 0.000 1.587 1486 T CA -0.534 61.688 62.100 0.203 0.000 1.066 1486 T CB 1.309 70.268 68.868 0.152 0.000 1.414 1486 T HN 0.569 nan 8.240 nan 0.000 0.488 1487 c N 4.720 123.365 118.600 0.075 0.000 2.898 1487 c HA 0.915 5.485 4.570 0.001 0.000 0.304 1487 c C -1.253 172.834 174.090 -0.005 0.000 1.237 1487 c CA -0.620 55.752 56.329 0.071 0.000 1.529 1487 c CB 0.702 43.282 42.510 0.118 0.000 2.021 1487 c HN 0.982 nan 8.230 nan 0.000 0.474 1488 I N 4.138 124.700 120.570 -0.014 0.000 2.607 1488 I HA 0.694 4.865 4.170 0.001 0.000 0.290 1488 I C -1.179 174.845 176.117 -0.155 0.000 1.129 1488 I CA -0.296 60.930 61.300 -0.122 0.000 1.042 1488 I CB 1.367 39.273 38.000 -0.157 0.000 1.242 1488 I HN 0.743 nan 8.210 nan 0.000 0.421 1489 R N 5.145 125.498 120.500 -0.245 0.000 2.854 1489 R HA 0.689 5.029 4.340 0.001 0.000 0.271 1489 R C -1.752 174.335 176.300 -0.355 0.000 0.994 1489 R CA -0.353 55.661 56.100 -0.144 0.000 0.945 1489 R CB 1.816 32.114 30.300 -0.003 0.000 1.194 1489 R HN 0.435 nan 8.270 nan 0.000 0.476 1490 F N 1.660 121.666 119.950 0.093 0.000 2.480 1490 F HA 0.463 4.991 4.527 0.001 0.000 0.329 1490 F C -0.359 175.526 175.800 0.141 0.000 1.091 1490 F CA -0.706 57.349 58.000 0.090 0.000 0.972 1490 F CB 1.354 40.371 39.000 0.029 0.000 1.150 1490 F HN 0.427 nan 8.300 nan 0.000 0.467 1491 Y N 0.107 120.468 120.300 0.102 0.000 2.446 1491 Y HA 0.743 5.293 4.550 0.001 0.000 0.345 1491 Y C -1.122 174.787 175.900 0.015 0.000 0.984 1491 Y CA -0.913 57.207 58.100 0.033 0.000 1.058 1491 Y CB 1.306 39.728 38.460 -0.065 0.000 1.220 1491 Y HN 0.593 nan 8.280 nan 0.000 0.455 1492 H N 2.568 121.667 119.070 0.049 0.000 2.949 1492 H HA 0.481 5.038 4.556 0.001 0.000 0.356 1492 H C -2.379 172.962 175.328 0.022 0.000 1.212 1492 H CA -2.148 53.888 56.048 -0.020 0.000 1.136 1492 H CB 2.913 32.667 29.762 -0.013 0.000 1.869 1492 H HN 0.526 nan 8.280 nan 0.000 0.556 1493 P HA 0.097 nan 4.420 nan 0.000 0.239 1493 P C -0.568 176.793 177.300 0.103 0.000 1.215 1493 P CA 0.248 63.451 63.100 0.171 0.000 0.654 1493 P CB 0.670 32.483 31.700 0.189 0.000 1.146 1494 D N -2.224 118.213 120.400 0.062 0.000 2.661 1494 D HA 0.087 4.727 4.640 0.001 0.000 0.228 1494 D C 0.571 176.856 176.300 -0.023 0.000 1.183 1494 D CA -0.522 53.483 54.000 0.009 0.000 0.844 1494 D CB 1.572 42.384 40.800 0.019 0.000 1.555 1494 D HN 0.075 nan 8.370 nan 0.000 0.453 1495 K N 1.370 121.739 120.400 -0.051 0.000 2.152 1495 K HA -0.176 4.145 4.320 0.001 0.000 0.206 1495 K C 1.146 177.733 176.600 -0.022 0.000 1.048 1495 K CA 1.327 57.579 56.287 -0.059 0.000 0.933 1495 K CB 0.154 32.619 32.500 -0.058 0.000 0.721 1495 K HN 0.189 nan 8.250 nan 0.000 0.447 1496 E N 1.465 121.661 120.200 -0.007 0.000 2.051 1496 E HA -0.178 4.172 4.350 0.001 0.000 0.192 1496 E C 1.306 177.917 176.600 0.018 0.000 0.991 1496 E CA 1.713 58.116 56.400 0.005 0.000 0.799 1496 E CB -0.351 29.353 29.700 0.008 0.000 0.748 1496 E HN 0.369 nan 8.360 nan 0.000 0.449 1497 D N -0.911 119.507 120.400 0.030 0.000 2.640 1497 D HA -0.263 4.378 4.640 0.001 0.000 0.193 1497 D C 1.056 177.386 176.300 0.049 0.000 1.063 1497 D CA 1.978 56.009 54.000 0.053 0.000 0.923 1497 D CB -0.312 40.538 40.800 0.084 0.000 0.883 1497 D HN 0.434 nan 8.370 nan 0.000 0.463 1498 G N -1.576 107.246 108.800 0.036 0.000 2.160 1498 G HA2 -0.369 3.592 3.960 0.001 0.000 0.251 1498 G HA3 -0.369 3.592 3.960 0.001 0.000 0.251 1498 G C 0.837 175.765 174.900 0.047 0.000 1.008 1498 G CA 0.800 45.920 45.100 0.033 0.000 0.724 1498 G HN 0.260 nan 8.290 nan 0.000 0.514 1499 M N -0.107 119.532 119.600 0.066 0.000 2.334 1499 M HA 0.281 4.761 4.480 0.001 0.000 0.266 1499 M C 2.107 178.451 176.300 0.075 0.000 1.082 1499 M CA 1.675 57.030 55.300 0.092 0.000 1.141 1499 M CB -0.172 32.518 32.600 0.149 0.000 1.380 1499 M HN 0.640 nan 8.290 nan 0.000 0.440 1500 L N -1.431 119.824 121.223 0.052 0.000 2.682 1500 L HA 0.358 4.698 4.340 0.001 0.000 0.240 1500 L C 0.088 176.969 176.870 0.017 0.000 1.178 1500 L CA -0.135 54.721 54.840 0.027 0.000 0.970 1500 L CB -1.583 40.470 42.059 -0.011 0.000 1.179 1500 L HN -0.122 nan 8.230 nan 0.000 0.435 1501 S N 0.193 115.909 115.700 0.026 0.000 2.545 1501 S HA 0.301 4.771 4.470 0.001 0.000 0.275 1501 S C 0.509 175.120 174.600 0.019 0.000 1.299 1501 S CA -0.464 57.748 58.200 0.019 0.000 1.048 1501 S CB 0.842 64.057 63.200 0.024 0.000 0.938 1501 S HN 0.199 nan 8.310 nan 0.000 0.496 1502 K N 2.972 123.376 120.400 0.008 0.000 1.981 1502 K HA 0.076 4.396 4.320 0.001 0.000 0.220 1502 K C 0.854 177.464 176.600 0.017 0.000 1.176 1502 K CA -0.074 56.215 56.287 0.004 0.000 1.181 1502 K CB -0.793 31.696 32.500 -0.018 0.000 1.218 1502 K HN 0.394 nan 8.250 nan 0.000 0.260 1503 L N 1.030 122.271 121.223 0.029 0.000 2.211 1503 L HA -0.242 4.098 4.340 0.001 0.000 0.216 1503 L C 0.778 177.681 176.870 0.055 0.000 1.092 1503 L CA 1.058 55.924 54.840 0.043 0.000 0.767 1503 L CB -0.993 41.093 42.059 0.044 0.000 0.894 1503 L HN 0.710 nan 8.230 nan 0.000 0.437 1504 c N -0.985 117.639 118.600 0.040 0.000 2.700 1504 c HA 0.289 4.859 4.570 0.001 0.000 0.397 1504 c C 0.894 175.025 174.090 0.068 0.000 1.301 1504 c CA -0.971 55.388 56.329 0.051 0.000 2.219 1504 c CB 0.210 42.734 42.510 0.023 0.000 2.699 1504 c HN 0.479 nan 8.230 nan 0.000 0.669 1505 H N 0.246 119.320 119.070 0.006 0.000 2.906 1505 H HA 0.330 4.886 4.556 0.001 0.000 0.337 1505 H C 0.793 176.124 175.328 0.005 0.000 1.257 1505 H CA -0.390 55.660 56.048 0.005 0.000 1.192 1505 H CB 1.487 31.250 29.762 0.002 0.000 1.912 1505 H HN 0.838 nan 8.280 nan 0.000 0.573 1506 K N -0.046 120.428 120.400 0.122 0.000 2.476 1506 K HA -0.331 3.989 4.320 0.001 0.000 0.202 1506 K C 1.237 177.877 176.600 0.067 0.000 0.677 1506 K CA 2.497 58.849 56.287 0.109 0.000 0.906 1506 K CB -0.566 32.062 32.500 0.214 0.000 0.389 1506 K HN 0.566 nan 8.250 nan 0.000 0.993 1507 D N -0.439 120.008 120.400 0.079 0.000 2.127 1507 D HA -0.174 4.467 4.640 0.001 0.000 0.190 1507 D C 2.100 178.421 176.300 0.035 0.000 1.000 1507 D CA 2.414 56.441 54.000 0.046 0.000 0.839 1507 D CB -0.979 39.844 40.800 0.039 0.000 0.955 1507 D HN 0.643 nan 8.370 nan 0.000 0.446 1508 T N -1.031 113.551 114.554 0.045 0.000 2.665 1508 T HA -0.232 4.118 4.350 0.001 0.000 0.268 1508 T C 2.410 177.120 174.700 0.018 0.000 1.035 1508 T CA 1.765 63.887 62.100 0.038 0.000 1.151 1508 T CB -1.104 67.794 68.868 0.051 0.000 0.862 1508 T HN 0.190 nan 8.240 nan 0.000 0.438 1509 c N 1.545 120.152 118.600 0.011 0.000 2.413 1509 c HA 0.030 4.600 4.570 0.001 0.000 0.276 1509 c C 3.023 177.100 174.090 -0.022 0.000 1.248 1509 c CA 0.843 57.163 56.329 -0.014 0.000 1.742 1509 c CB -1.268 41.222 42.510 -0.034 0.000 2.017 1509 c HN 0.569 nan 8.230 nan 0.000 0.481 1510 R N 0.531 121.026 120.500 -0.008 0.000 2.159 1510 R HA -0.154 4.186 4.340 0.001 0.000 0.237 1510 R C 2.208 178.497 176.300 -0.018 0.000 1.131 1510 R CA 1.814 57.910 56.100 -0.007 0.000 0.982 1510 R CB -1.189 29.119 30.300 0.013 0.000 0.868 1510 R HN 0.641 nan 8.270 nan 0.000 0.453 1511 c N 0.669 119.263 118.600 -0.010 0.000 2.432 1511 c HA 0.108 4.679 4.570 0.001 0.000 0.277 1511 c C 1.925 175.990 174.090 -0.043 0.000 1.249 1511 c CA 0.982 57.304 56.329 -0.012 0.000 1.725 1511 c CB -0.990 41.527 42.510 0.010 0.000 2.028 1511 c HN 0.525 nan 8.230 nan 0.000 0.477 1512 A N 0.305 123.092 122.820 -0.054 0.000 3.033 1512 A HA 0.306 4.626 4.320 0.001 0.000 0.250 1512 A C 1.058 178.555 177.584 -0.144 0.000 1.633 1512 A CA 0.301 52.284 52.037 -0.090 0.000 1.290 1512 A CB -0.460 18.497 19.000 -0.073 0.000 1.048 1512 A HN 0.758 nan 8.150 nan 0.000 0.648 1513 E N -0.579 119.516 120.200 -0.174 0.000 2.568 1513 E HA -0.027 4.324 4.350 0.001 0.000 0.220 1513 E C 0.835 177.217 176.600 -0.364 0.000 0.869 1513 E CA -0.003 56.218 56.400 -0.298 0.000 1.268 1513 E CB -0.030 29.540 29.700 -0.217 0.000 1.252 1513 E HN 0.616 nan 8.360 nan 0.000 0.606 1514 E N 1.895 121.966 120.200 -0.216 0.000 2.049 1514 E HA -0.209 4.142 4.350 0.001 0.000 0.198 1514 E C 1.610 178.051 176.600 -0.265 0.000 1.007 1514 E CA 1.356 57.647 56.400 -0.182 0.000 0.809 1514 E CB -0.522 29.122 29.700 -0.094 0.000 0.749 1514 E HN 0.365 nan 8.360 nan 0.000 0.450 1515 N N 0.621 119.180 118.700 -0.236 0.000 2.043 1515 N HA -0.164 4.576 4.740 0.001 0.000 0.193 1515 N C 2.180 177.505 175.510 -0.308 0.000 1.037 1515 N CA 1.827 54.743 53.050 -0.223 0.000 0.851 1515 N CB -0.491 37.890 38.487 -0.177 0.000 1.027 1515 N HN 0.119 nan 8.380 nan 0.000 0.422 1516 c N 0.231 118.583 118.600 -0.414 0.000 2.318 1516 c HA -0.170 4.401 4.570 0.001 0.000 0.272 1516 c C 0.874 174.654 174.090 -0.517 0.000 1.156 1516 c CA 1.126 57.137 56.329 -0.530 0.000 1.783 1516 c CB -1.587 40.360 42.510 -0.938 0.000 2.023 1516 c HN 0.541 nan 8.230 nan 0.000 0.437 1527 L N 0.402 121.661 121.223 0.059 0.000 3.705 1527 L HA 0.252 4.592 4.340 0.001 0.000 0.382 1527 L C 1.405 178.323 176.870 0.081 0.000 0.971 1527 L CA 0.344 55.254 54.840 0.116 0.000 1.566 1527 L CB 0.608 42.688 42.059 0.035 0.000 2.300 1527 L HN 0.375 nan 8.230 nan 0.000 0.609 1528 E N -1.843 118.364 120.200 0.013 0.000 2.535 1528 E HA 0.034 4.384 4.350 0.001 0.000 0.216 1528 E C 0.397 176.984 176.600 -0.022 0.000 0.845 1528 E CA -0.021 56.345 56.400 -0.057 0.000 1.306 1528 E CB 0.177 29.838 29.700 -0.065 0.000 1.291 1528 E HN 0.158 nan 8.360 nan 0.000 0.635 1529 D N 2.096 122.502 120.400 0.009 0.000 2.310 1529 D HA -0.107 4.534 4.640 0.001 0.000 0.212 1529 D C 1.768 178.090 176.300 0.036 0.000 0.965 1529 D CA 1.164 55.171 54.000 0.012 0.000 0.879 1529 D CB 0.122 40.924 40.800 0.003 0.000 0.921 1529 D HN 0.448 nan 8.370 nan 0.000 0.510 1530 R N -0.303 120.248 120.500 0.084 0.000 2.279 1530 R HA 0.247 4.588 4.340 0.001 0.000 0.195 1530 R C 2.270 178.658 176.300 0.147 0.000 0.905 1530 R CA -0.194 55.979 56.100 0.121 0.000 1.044 1530 R CB -0.513 29.840 30.300 0.088 0.000 1.056 1530 R HN 0.012 nan 8.270 nan 0.000 0.535 1531 L N 1.500 122.766 121.223 0.072 0.000 2.131 1531 L HA -0.109 4.232 4.340 0.001 0.000 0.210 1531 L C 1.166 177.943 176.870 -0.155 0.000 1.092 1531 L CA 1.406 56.048 54.840 -0.331 0.000 0.759 1531 L CB -0.098 41.589 42.059 -0.620 0.000 0.903 1531 L HN 0.284 nan 8.230 nan 0.000 0.435 1532 D N -1.002 119.360 120.400 -0.065 0.000 2.301 1532 D HA -0.089 4.552 4.640 0.001 0.000 0.206 1532 D C 1.433 177.750 176.300 0.028 0.000 0.979 1532 D CA 0.526 54.512 54.000 -0.022 0.000 0.874 1532 D CB 0.289 41.078 40.800 -0.018 0.000 0.968 1532 D HN -0.013 nan 8.370 nan 0.000 0.510 1533 K N 0.618 121.052 120.400 0.056 0.000 2.551 1533 K HA 0.233 4.554 4.320 0.001 0.000 0.204 1533 K C 0.628 177.349 176.600 0.201 0.000 1.033 1533 K CA -0.139 56.221 56.287 0.120 0.000 1.187 1533 K CB 0.013 32.586 32.500 0.123 0.000 0.900 1533 K HN -0.009 nan 8.250 nan 0.000 0.499 1534 A N -1.381 121.497 122.820 0.097 0.000 2.066 1534 A HA 0.127 4.447 4.320 0.001 0.000 0.198 1534 A C 0.703 178.331 177.584 0.072 0.000 1.405 1534 A CA -0.172 51.894 52.037 0.049 0.000 0.973 1534 A CB 0.052 18.891 19.000 -0.269 0.000 1.026 1534 A HN 0.285 nan 8.150 nan 0.000 0.474 1535 c N 2.685 121.316 118.600 0.052 0.000 2.882 1535 c HA 0.382 4.952 4.570 0.001 0.000 0.492 1535 c C 0.237 174.382 174.090 0.091 0.000 1.279 1535 c CA -0.406 55.969 56.329 0.076 0.000 1.551 1535 c CB -2.445 40.103 42.510 0.065 0.000 2.037 1535 c HN 0.420 nan 8.230 nan 0.000 0.625 1536 E N 1.126 121.393 120.200 0.112 0.000 2.221 1536 E HA 0.270 4.620 4.350 0.001 0.000 0.268 1536 E C -2.455 174.211 176.600 0.110 0.000 0.933 1536 E CA -1.863 54.602 56.400 0.109 0.000 0.809 1536 E CB 1.059 30.832 29.700 0.123 0.000 1.190 1536 E HN 0.094 nan 8.360 nan 0.000 0.406 1537 P HA 0.102 nan 4.420 nan 0.000 0.252 1537 P C 0.077 177.434 177.300 0.096 0.000 1.694 1537 P CA 0.390 63.544 63.100 0.091 0.000 1.163 1537 P CB 0.033 31.778 31.700 0.075 0.000 1.934 1538 G N -0.030 108.837 108.800 0.111 0.000 4.103 1538 G HA2 -0.057 3.903 3.960 0.001 0.000 0.163 1538 G HA3 -0.057 3.903 3.960 0.001 0.000 0.163 1538 G C 0.121 175.102 174.900 0.136 0.000 0.840 1538 G CA -0.257 44.913 45.100 0.116 0.000 0.905 1538 G HN 0.254 nan 8.290 nan 0.000 0.377 1539 V N 1.314 121.317 119.914 0.147 0.000 3.566 1539 V HA 0.345 4.465 4.120 0.001 0.000 0.301 1539 V C 1.112 177.299 176.094 0.154 0.000 1.105 1539 V CA 1.412 63.807 62.300 0.158 0.000 1.142 1539 V CB 1.452 33.386 31.823 0.184 0.000 1.107 1539 V HN 0.442 nan 8.190 nan 0.000 0.481 1540 D N -1.163 119.333 120.400 0.159 0.000 1.852 1540 D HA 0.009 4.650 4.640 0.001 0.000 0.559 1540 D C -0.727 175.728 176.300 0.258 0.000 0.873 1540 D CA 0.098 54.228 54.000 0.217 0.000 1.045 1540 D CB 0.832 41.801 40.800 0.281 0.000 1.579 1540 D HN 0.643 nan 8.370 nan 0.000 0.509 1541 Y N 0.564 120.876 120.300 0.019 0.000 2.354 1541 Y HA 0.664 5.215 4.550 0.001 0.000 0.330 1541 Y C -1.672 174.054 175.900 -0.290 0.000 1.011 1541 Y CA -1.227 56.764 58.100 -0.183 0.000 1.099 1541 Y CB 1.271 39.525 38.460 -0.344 0.000 1.179 1541 Y HN -0.278 nan 8.280 nan 0.000 0.442 1542 V N 6.195 125.968 119.914 -0.235 0.000 2.407 1542 V HA 0.500 4.620 4.120 0.001 0.000 0.291 1542 V C -0.773 175.401 176.094 0.133 0.000 1.018 1542 V CA -0.801 61.441 62.300 -0.097 0.000 0.842 1542 V CB 0.351 32.172 31.823 -0.003 0.000 0.996 1542 V HN 0.942 nan 8.190 nan 0.000 0.426 1543 Y N 2.349 122.738 120.300 0.148 0.000 2.773 1543 Y HA 0.685 5.235 4.550 0.001 0.000 0.323 1543 Y C 0.263 176.210 175.900 0.078 0.000 1.183 1543 Y CA -1.488 56.681 58.100 0.115 0.000 1.144 1543 Y CB 1.995 40.542 38.460 0.145 0.000 1.340 1543 Y HN 0.257 nan 8.280 nan 0.000 0.531 1544 K N 2.197 122.724 120.400 0.212 0.000 2.756 1544 K HA 0.222 4.542 4.320 0.001 0.000 0.218 1544 K C -1.273 175.328 176.600 0.002 0.000 1.057 1544 K CA -0.077 56.219 56.287 0.014 0.000 1.056 1544 K CB 0.723 33.099 32.500 -0.208 0.000 1.235 1544 K HN 0.877 nan 8.250 nan 0.000 0.547 1545 T N -0.066 114.521 114.554 0.055 0.000 2.902 1545 T HA 0.545 4.895 4.350 0.001 0.000 0.280 1545 T C 0.063 174.746 174.700 -0.028 0.000 0.992 1545 T CA -0.826 61.285 62.100 0.018 0.000 1.015 1545 T CB 2.041 70.919 68.868 0.016 0.000 1.044 1545 T HN 0.472 nan 8.240 nan 0.000 0.520 1546 R N 1.044 121.480 120.500 -0.107 0.000 2.561 1546 R HA 0.449 4.789 4.340 0.001 0.000 0.297 1546 R C -0.975 175.271 176.300 -0.089 0.000 0.969 1546 R CA -0.878 55.060 56.100 -0.271 0.000 0.879 1546 R CB 1.332 31.271 30.300 -0.601 0.000 1.178 1546 R HN 0.767 nan 8.270 nan 0.000 0.445 1547 L N 7.035 128.269 121.223 0.019 0.000 2.454 1547 L HA 0.122 4.463 4.340 0.001 0.000 0.284 1547 L C 1.191 178.075 176.870 0.023 0.000 1.139 1547 L CA 0.133 55.003 54.840 0.050 0.000 0.911 1547 L CB 0.475 42.602 42.059 0.113 0.000 1.262 1547 L HN 0.824 nan 8.230 nan 0.000 0.453 1548 I N 2.521 123.104 120.570 0.023 0.000 2.400 1548 I HA -0.039 4.132 4.170 0.001 0.000 0.248 1548 I C 0.627 176.770 176.117 0.043 0.000 1.109 1548 I CA 0.832 62.145 61.300 0.021 0.000 1.425 1548 I CB 0.303 38.315 38.000 0.020 0.000 1.094 1548 I HN 0.598 nan 8.210 nan 0.000 0.425 1549 Q N 1.865 121.705 119.800 0.066 0.000 2.274 1549 Q HA 0.257 4.598 4.340 0.001 0.000 0.268 1549 Q C -1.327 174.736 176.000 0.105 0.000 1.015 1549 Q CA -0.535 55.310 55.803 0.071 0.000 0.775 1549 Q CB 2.133 30.907 28.738 0.060 0.000 1.256 1549 Q HN 0.145 nan 8.270 nan 0.000 0.442 1550 K N 3.525 123.989 120.400 0.107 0.000 2.316 1550 K HA 0.264 4.585 4.320 0.001 0.000 0.267 1550 K C -0.822 175.830 176.600 0.087 0.000 1.025 1550 K CA -0.245 56.138 56.287 0.160 0.000 0.896 1550 K CB 0.796 33.398 32.500 0.170 0.000 1.124 1550 K HN 0.318 nan 8.250 nan 0.000 0.451 1551 K N 6.262 126.683 120.400 0.034 0.000 2.334 1551 K HA 0.248 4.568 4.320 0.001 0.000 0.265 1551 K C -0.938 175.619 176.600 -0.071 0.000 1.039 1551 K CA -0.559 55.715 56.287 -0.021 0.000 0.920 1551 K CB 0.557 33.037 32.500 -0.034 0.000 1.160 1551 K HN 0.539 nan 8.250 nan 0.000 0.451 1552 L N 4.580 125.780 121.223 -0.038 0.000 2.265 1552 L HA 0.315 4.655 4.340 0.001 0.000 0.288 1552 L C 0.233 177.059 176.870 -0.073 0.000 1.058 1552 L CA -0.274 54.534 54.840 -0.054 0.000 0.809 1552 L CB 0.961 43.009 42.059 -0.018 0.000 1.179 1552 L HN 0.519 nan 8.230 nan 0.000 0.429 1553 E N 1.613 121.753 120.200 -0.101 0.000 2.299 1553 E HA 0.196 4.546 4.350 0.001 0.000 0.265 1553 E C -0.859 175.670 176.600 -0.119 0.000 0.911 1553 E CA -0.654 55.690 56.400 -0.094 0.000 0.789 1553 E CB 2.144 31.798 29.700 -0.077 0.000 1.246 1553 E HN 0.542 nan 8.360 nan 0.000 0.427 1554 D N 0.188 120.525 120.400 -0.104 0.000 3.060 1554 D HA 0.124 4.764 4.640 0.001 0.000 0.245 1554 D C 0.033 176.282 176.300 -0.084 0.000 1.274 1554 D CA 0.108 54.048 54.000 -0.101 0.000 0.864 1554 D CB 0.311 41.058 40.800 -0.088 0.000 1.073 1554 D HN 0.395 nan 8.370 nan 0.000 0.473 1555 D N -1.228 119.076 120.400 -0.160 0.000 2.293 1555 D HA 0.170 4.811 4.640 0.001 0.000 0.087 1555 D C -1.228 174.850 176.300 -0.370 0.000 1.480 1555 D CA -0.151 53.754 54.000 -0.159 0.000 1.256 1555 D CB 0.060 40.875 40.800 0.024 0.000 2.592 1555 D HN 0.034 nan 8.370 nan 0.000 0.209 1556 F N 1.838 121.655 119.950 -0.221 0.000 2.536 1556 F HA 0.379 4.906 4.527 0.001 0.000 0.322 1556 F C -0.700 174.963 175.800 -0.228 0.000 1.144 1556 F CA -0.954 56.920 58.000 -0.209 0.000 0.924 1556 F CB 1.884 40.792 39.000 -0.153 0.000 1.181 1556 F HN -0.160 nan 8.300 nan 0.000 0.438 1557 D N 3.231 123.527 120.400 -0.173 0.000 2.345 1557 D HA 0.134 4.775 4.640 0.001 0.000 0.247 1557 D C -0.255 175.754 176.300 -0.486 0.000 1.108 1557 D CA 0.138 53.911 54.000 -0.378 0.000 0.894 1557 D CB 1.089 41.539 40.800 -0.583 0.000 1.203 1557 D HN 0.551 nan 8.370 nan 0.000 0.430 1558 E N 2.358 122.303 120.200 -0.424 0.000 2.256 1558 E HA 0.138 4.488 4.350 0.001 0.000 0.243 1558 E C -0.688 175.775 176.600 -0.228 0.000 0.925 1558 E CA -0.549 55.696 56.400 -0.259 0.000 0.748 1558 E CB 0.550 30.197 29.700 -0.089 0.000 1.206 1558 E HN 0.375 nan 8.360 nan 0.000 0.428 1559 Y N 2.406 122.775 120.300 0.114 0.000 2.556 1559 Y HA 0.262 4.812 4.550 0.001 0.000 0.352 1559 Y C 0.635 176.625 175.900 0.150 0.000 1.006 1559 Y CA -0.797 57.351 58.100 0.079 0.000 1.277 1559 Y CB 0.063 38.524 38.460 0.001 0.000 1.136 1559 Y HN 0.332 nan 8.280 nan 0.000 0.523 1560 I N 4.877 125.580 120.570 0.223 0.000 2.347 1560 I HA 0.176 4.347 4.170 0.001 0.000 0.294 1560 I C -0.153 176.078 176.117 0.190 0.000 1.090 1560 I CA 0.197 61.621 61.300 0.208 0.000 1.314 1560 I CB 0.282 38.359 38.000 0.128 0.000 1.423 1560 I HN 0.573 nan 8.210 nan 0.000 0.503 1561 M N 6.455 126.209 119.600 0.257 0.000 2.294 1561 M HA 0.410 4.891 4.480 0.001 0.000 0.335 1561 M C -0.620 175.765 176.300 0.142 0.000 1.079 1561 M CA -0.685 54.703 55.300 0.146 0.000 0.982 1561 M CB 2.102 34.715 32.600 0.023 0.000 1.651 1561 M HN 0.307 nan 8.290 nan 0.000 0.437 1562 V N 4.582 124.529 119.914 0.054 0.000 2.498 1562 V HA 0.280 4.400 4.120 0.001 0.000 0.279 1562 V C -0.180 175.919 176.094 0.009 0.000 1.048 1562 V CA -0.662 61.656 62.300 0.029 0.000 0.967 1562 V CB 0.345 32.162 31.823 -0.010 0.000 0.988 1562 V HN 0.641 nan 8.190 nan 0.000 0.473 1563 I N 3.894 124.466 120.570 0.003 0.000 2.278 1563 I HA 0.235 4.405 4.170 0.001 0.000 0.296 1563 I C 1.235 177.318 176.117 -0.057 0.000 1.121 1563 I CA 0.370 61.648 61.300 -0.036 0.000 1.267 1563 I CB 0.181 38.083 38.000 -0.164 0.000 1.447 1563 I HN 0.579 nan 8.210 nan 0.000 0.509 1564 E N 4.095 124.268 120.200 -0.046 0.000 2.485 1564 E HA 0.036 4.387 4.350 0.001 0.000 0.194 1564 E C -0.035 176.532 176.600 -0.056 0.000 1.098 1564 E CA 0.221 56.596 56.400 -0.042 0.000 0.878 1564 E CB -0.231 29.462 29.700 -0.012 0.000 0.939 1564 E HN 0.635 nan 8.360 nan 0.000 0.503 1565 N N 0.277 118.942 118.700 -0.058 0.000 4.711 1565 N HA 0.105 4.845 4.740 0.001 0.000 0.175 1565 N C -1.700 173.809 175.510 -0.001 0.000 1.031 1565 N CA -0.286 52.741 53.050 -0.039 0.000 1.143 1565 N CB 0.747 39.199 38.487 -0.057 0.000 1.585 1565 N HN -0.119 nan 8.380 nan 0.000 0.817 1566 I N 3.935 124.509 120.570 0.007 0.000 2.460 1566 I HA 0.444 4.614 4.170 0.001 0.000 0.298 1566 I C 1.103 177.297 176.117 0.127 0.000 0.989 1566 I CA -0.582 60.769 61.300 0.085 0.000 1.173 1566 I CB 1.825 39.826 38.000 0.002 0.000 1.338 1566 I HN 0.559 nan 8.210 nan 0.000 0.456 1567 I N 3.149 123.839 120.570 0.200 0.000 4.471 1567 I HA 0.135 4.305 4.170 0.001 0.000 0.326 1567 I C 0.281 176.376 176.117 -0.036 0.000 1.300 1567 I CA 0.122 61.469 61.300 0.077 0.000 1.237 1567 I CB 0.546 38.602 38.000 0.093 0.000 1.195 1567 I HN 0.455 nan 8.210 nan 0.000 0.427 1568 K N 0.190 120.627 120.400 0.061 0.000 2.480 1568 K HA 0.388 4.708 4.320 0.001 0.000 0.258 1568 K C -0.489 176.179 176.600 0.113 0.000 0.990 1568 K CA -0.441 55.824 56.287 -0.037 0.000 0.857 1568 K CB 2.114 34.593 32.500 -0.035 0.000 1.384 1568 K HN -0.275 nan 8.250 nan 0.000 0.446 1569 S N 1.530 117.274 115.700 0.073 0.000 4.139 1569 S HA 0.217 4.688 4.470 0.001 0.000 0.215 1569 S C -0.117 174.604 174.600 0.202 0.000 1.390 1569 S CA -0.082 58.200 58.200 0.137 0.000 0.885 1569 S CB -1.122 62.143 63.200 0.108 0.000 1.560 1569 S HN 0.700 nan 8.310 nan 0.000 0.449 1570 G N 3.364 112.358 108.800 0.323 0.000 2.326 1570 G HA2 0.051 4.011 3.960 0.001 0.000 0.286 1570 G HA3 0.051 4.011 3.960 0.001 0.000 0.286 1570 G C 0.492 175.545 174.900 0.255 0.000 0.927 1570 G CA -0.122 45.209 45.100 0.386 0.000 1.553 1570 G HN 0.761 nan 8.290 nan 0.000 0.415 1571 S N 2.615 118.434 115.700 0.199 0.000 2.593 1571 S HA -0.070 4.400 4.470 0.001 0.000 0.303 1571 S C 0.960 175.617 174.600 0.095 0.000 1.267 1571 S CA 0.661 58.939 58.200 0.130 0.000 1.047 1571 S CB 0.625 63.894 63.200 0.115 0.000 0.777 1571 S HN 0.791 nan 8.310 nan 0.000 0.498 1572 D N -0.441 119.995 120.400 0.061 0.000 2.758 1572 D HA -0.212 4.428 4.640 0.001 0.000 0.191 1572 D C 0.103 176.422 176.300 0.031 0.000 1.036 1572 D CA 2.128 56.142 54.000 0.023 0.000 1.030 1572 D CB -0.948 39.841 40.800 -0.018 0.000 1.109 1572 D HN 0.956 nan 8.370 nan 0.000 0.430 1573 E N -0.375 119.877 120.200 0.086 0.000 2.415 1573 E HA 0.388 4.739 4.350 0.001 0.000 0.302 1573 E C -1.669 175.028 176.600 0.162 0.000 0.907 1573 E CA -0.328 56.133 56.400 0.103 0.000 0.798 1573 E CB 1.864 31.622 29.700 0.096 0.000 1.315 1573 E HN -0.093 nan 8.360 nan 0.000 0.396 1574 V N 4.772 124.743 119.914 0.094 0.000 2.558 1574 V HA 0.282 4.402 4.120 0.001 0.000 0.261 1574 V C -1.112 174.984 176.094 0.003 0.000 0.958 1574 V CA -0.519 61.821 62.300 0.067 0.000 0.852 1574 V CB 1.299 33.177 31.823 0.092 0.000 1.067 1574 V HN 0.600 nan 8.190 nan 0.000 0.468 1575 Q N 2.429 122.202 119.800 -0.045 0.000 2.695 1575 Q HA 0.482 4.822 4.340 0.001 0.000 0.246 1575 Q C -0.506 175.444 176.000 -0.083 0.000 0.961 1575 Q CA -0.206 55.571 55.803 -0.044 0.000 0.708 1575 Q CB 2.345 31.073 28.738 -0.017 0.000 1.282 1575 Q HN 0.483 nan 8.270 nan 0.000 0.482 1576 V N 3.183 123.048 119.914 -0.082 0.000 2.999 1576 V HA 0.001 4.122 4.120 0.001 0.000 0.307 1576 V C 0.820 176.881 176.094 -0.055 0.000 1.084 1576 V CA -0.151 62.096 62.300 -0.088 0.000 1.155 1576 V CB 0.608 32.393 31.823 -0.064 0.000 0.975 1576 V HN 0.742 nan 8.190 nan 0.000 0.490 1577 K N 1.731 122.100 120.400 -0.052 0.000 3.077 1577 K HA -0.190 4.130 4.320 0.001 0.000 0.264 1577 K C 0.016 176.607 176.600 -0.015 0.000 1.008 1577 K CA 1.125 57.395 56.287 -0.029 0.000 0.740 1577 K CB -0.957 31.531 32.500 -0.020 0.000 1.273 1577 K HN 1.069 nan 8.250 nan 0.000 0.477 1578 Q N -0.727 119.066 119.800 -0.012 0.000 2.309 1578 Q HA 0.412 4.753 4.340 0.001 0.000 0.273 1578 Q C -0.201 175.820 176.000 0.035 0.000 1.040 1578 Q CA -1.157 54.651 55.803 0.008 0.000 0.834 1578 Q CB 1.734 30.475 28.738 0.003 0.000 1.345 1578 Q HN -0.059 nan 8.270 nan 0.000 0.414 1579 E N 1.688 121.919 120.200 0.052 0.000 2.586 1579 E HA -0.020 4.331 4.350 0.001 0.000 0.272 1579 E C -0.315 176.369 176.600 0.141 0.000 1.283 1579 E CA 0.385 56.840 56.400 0.092 0.000 1.143 1579 E CB 0.252 29.997 29.700 0.076 0.000 1.033 1579 E HN 0.501 nan 8.360 nan 0.000 0.487 1580 R N 0.625 121.246 120.500 0.201 0.000 3.233 1580 R HA 0.063 4.403 4.340 0.001 0.000 0.301 1580 R C -1.023 175.451 176.300 0.291 0.000 1.018 1580 R CA -0.264 55.993 56.100 0.262 0.000 0.989 1580 R CB 0.083 30.617 30.300 0.390 0.000 1.393 1580 R HN 0.373 nan 8.270 nan 0.000 0.370 1581 K N 2.496 122.997 120.400 0.169 0.000 2.402 1581 K HA 0.106 4.427 4.320 0.001 0.000 0.279 1581 K C -0.221 176.463 176.600 0.141 0.000 1.082 1581 K CA 0.689 57.072 56.287 0.159 0.000 1.080 1581 K CB 0.170 32.713 32.500 0.071 0.000 0.899 1581 K HN 0.147 nan 8.250 nan 0.000 0.469 1582 F N 4.230 124.290 119.950 0.184 0.000 2.410 1582 F HA 0.290 4.817 4.527 0.001 0.000 0.349 1582 F C 0.513 176.389 175.800 0.127 0.000 1.117 1582 F CA -0.771 57.362 58.000 0.221 0.000 1.104 1582 F CB 0.755 39.897 39.000 0.236 0.000 1.122 1582 F HN 0.203 nan 8.300 nan 0.000 0.483 1583 I N 2.432 123.142 120.570 0.234 0.000 2.562 1583 I HA 0.570 4.740 4.170 0.001 0.000 0.301 1583 I C -0.259 175.993 176.117 0.225 0.000 1.003 1583 I CA -0.727 60.655 61.300 0.137 0.000 1.127 1583 I CB 1.479 39.497 38.000 0.031 0.000 1.304 1583 I HN 0.549 nan 8.210 nan 0.000 0.446 1584 S N 2.849 118.676 115.700 0.212 0.000 2.535 1584 S HA 0.419 4.890 4.470 0.001 0.000 0.272 1584 S C -0.830 173.768 174.600 -0.002 0.000 1.149 1584 S CA -0.794 57.521 58.200 0.192 0.000 0.888 1584 S CB 1.447 64.807 63.200 0.268 0.000 1.110 1584 S HN 0.729 nan 8.310 nan 0.000 0.463 1585 H N 1.766 120.627 119.070 -0.349 0.000 2.871 1585 H HA 0.357 4.914 4.556 0.001 0.000 0.377 1585 H C 1.496 176.581 175.328 -0.404 0.000 1.307 1585 H CA 0.802 56.360 56.048 -0.817 0.000 1.449 1585 H CB 0.277 29.617 29.762 -0.704 0.000 1.452 1585 H HN 0.659 nan 8.280 nan 0.000 0.619 1586 I N 1.306 121.324 120.570 -0.919 0.000 2.208 1586 I HA -0.335 3.835 4.170 0.001 0.000 0.245 1586 I C 2.515 178.542 176.117 -0.151 0.000 1.097 1586 I CA 1.916 62.951 61.300 -0.441 0.000 1.363 1586 I CB -0.427 37.299 38.000 -0.458 0.000 1.051 1586 I HN 0.716 nan 8.210 nan 0.000 0.413 1587 K N 0.924 121.333 120.400 0.014 0.000 2.034 1587 K HA -0.259 4.062 4.320 0.001 0.000 0.214 1587 K C 2.072 178.668 176.600 -0.007 0.000 1.051 1587 K CA 2.313 58.627 56.287 0.044 0.000 0.931 1587 K CB -1.152 31.395 32.500 0.079 0.000 0.715 1587 K HN 0.323 nan 8.250 nan 0.000 0.446 1588 c N 1.102 119.695 118.600 -0.013 0.000 2.422 1588 c HA 0.047 4.618 4.570 0.001 0.000 0.286 1588 c C 2.652 176.780 174.090 0.063 0.000 1.412 1588 c CA 0.486 56.807 56.329 -0.014 0.000 1.786 1588 c CB -1.388 41.113 42.510 -0.015 0.000 1.835 1588 c HN 0.568 nan 8.230 nan 0.000 0.533 1589 R N 1.290 121.839 120.500 0.082 0.000 2.165 1589 R HA -0.223 4.118 4.340 0.001 0.000 0.254 1589 R C 1.889 178.232 176.300 0.073 0.000 1.153 1589 R CA 1.888 58.063 56.100 0.125 0.000 0.971 1589 R CB -0.151 30.198 30.300 0.080 0.000 0.878 1589 R HN 0.493 nan 8.270 nan 0.000 0.449 1590 E N -0.362 119.865 120.200 0.045 0.000 2.122 1590 E HA -0.024 4.327 4.350 0.001 0.000 0.190 1590 E C 1.852 178.489 176.600 0.061 0.000 0.977 1590 E CA 0.947 57.369 56.400 0.037 0.000 0.820 1590 E CB -0.208 29.503 29.700 0.017 0.000 0.770 1590 E HN 0.459 nan 8.360 nan 0.000 0.462 1591 A N 1.846 124.716 122.820 0.083 0.000 1.865 1591 A HA -0.179 4.142 4.320 0.001 0.000 0.217 1591 A C 2.182 179.935 177.584 0.282 0.000 1.191 1591 A CA 1.220 53.366 52.037 0.182 0.000 0.623 1591 A CB -0.584 18.470 19.000 0.090 0.000 0.826 1591 A HN 0.146 nan 8.150 nan 0.000 0.444 1592 L N -1.257 120.117 121.223 0.252 0.000 1.994 1592 L HA -0.097 4.243 4.340 0.001 0.000 0.208 1592 L C 1.510 178.357 176.870 -0.039 0.000 1.071 1592 L CA 2.027 56.898 54.840 0.051 0.000 0.745 1592 L CB -1.431 40.556 42.059 -0.121 0.000 0.892 1592 L HN 0.660 nan 8.230 nan 0.000 0.431 1593 K N 0.641 121.019 120.400 -0.036 0.000 3.156 1593 K HA -0.202 4.118 4.320 0.001 0.000 0.266 1593 K C -0.229 176.345 176.600 -0.043 0.000 0.966 1593 K CA -0.046 56.227 56.287 -0.023 0.000 0.719 1593 K CB -1.136 31.375 32.500 0.018 0.000 1.333 1593 K HN 0.225 nan 8.250 nan 0.000 0.468 1594 L N 0.969 122.091 121.223 -0.169 0.000 2.464 1594 L HA 0.221 4.561 4.340 0.001 0.000 0.264 1594 L C 0.669 177.534 176.870 -0.009 0.000 1.199 1594 L CA -0.008 54.745 54.840 -0.145 0.000 0.818 1594 L CB 0.377 42.093 42.059 -0.571 0.000 1.102 1594 L HN 0.075 nan 8.230 nan 0.000 0.473 1595 K N 1.370 121.846 120.400 0.126 0.000 2.471 1595 K HA 0.239 4.560 4.320 0.001 0.000 0.252 1595 K C -0.867 175.807 176.600 0.122 0.000 0.938 1595 K CA -0.589 55.758 56.287 0.100 0.000 0.796 1595 K CB 1.923 34.475 32.500 0.088 0.000 1.161 1595 K HN 0.609 nan 8.250 nan 0.000 0.425 1596 E N 0.714 120.965 120.200 0.085 0.000 2.238 1596 E HA 0.327 4.677 4.350 0.001 0.000 0.264 1596 E C 0.393 177.028 176.600 0.059 0.000 1.136 1596 E CA -0.146 56.300 56.400 0.077 0.000 0.929 1596 E CB -0.018 29.722 29.700 0.066 0.000 1.010 1596 E HN 0.802 nan 8.360 nan 0.000 0.440 1597 G N 1.873 110.702 108.800 0.049 0.000 2.276 1597 G HA2 0.076 4.037 3.960 0.001 0.000 0.177 1597 G HA3 0.076 4.037 3.960 0.001 0.000 0.177 1597 G C -0.162 174.761 174.900 0.039 0.000 1.017 1597 G CA -0.306 44.812 45.100 0.030 0.000 0.750 1597 G HN 0.881 nan 8.290 nan 0.000 0.506 1598 A N 0.065 122.896 122.820 0.018 0.000 2.380 1598 A HA 0.879 5.199 4.320 0.001 0.000 0.315 1598 A C -0.650 176.770 177.584 -0.274 0.000 1.101 1598 A CA -0.614 51.371 52.037 -0.086 0.000 0.771 1598 A CB 1.062 19.921 19.000 -0.235 0.000 1.287 1598 A HN 0.410 nan 8.150 nan 0.000 0.436 1599 H N -0.391 118.406 119.070 -0.455 0.000 2.479 1599 H HA 0.682 5.238 4.556 0.001 0.000 0.335 1599 H C -1.355 173.618 175.328 -0.591 0.000 1.142 1599 H CA 0.021 55.839 56.048 -0.383 0.000 1.234 1599 H CB 0.888 30.410 29.762 -0.401 0.000 1.503 1599 H HN 0.595 nan 8.280 nan 0.000 0.510 1600 Y N -0.059 120.258 120.300 0.028 0.000 2.609 1600 Y HA 0.307 4.857 4.550 0.001 0.000 0.342 1600 Y C -0.628 175.341 175.900 0.116 0.000 1.058 1600 Y CA -1.106 57.043 58.100 0.082 0.000 1.055 1600 Y CB 1.814 40.239 38.460 -0.058 0.000 1.292 1600 Y HN 0.373 nan 8.280 nan 0.000 0.476 1601 L N 4.270 125.725 121.223 0.387 0.000 2.295 1601 L HA 0.668 5.009 4.340 0.001 0.000 0.281 1601 L C -1.292 175.778 176.870 0.334 0.000 1.018 1601 L CA -0.894 54.162 54.840 0.360 0.000 0.841 1601 L CB 0.409 42.704 42.059 0.395 0.000 1.218 1601 L HN 0.598 nan 8.230 nan 0.000 0.424 1602 V N 3.101 123.156 119.914 0.235 0.000 2.417 1602 V HA 0.677 4.798 4.120 0.001 0.000 0.291 1602 V C -1.015 175.149 176.094 0.117 0.000 1.024 1602 V CA -0.557 61.820 62.300 0.129 0.000 0.861 1602 V CB 1.094 32.877 31.823 -0.067 0.000 0.985 1602 V HN 0.864 nan 8.190 nan 0.000 0.436 1603 W N 3.400 124.560 121.300 -0.233 0.000 3.042 1603 W HA 0.953 5.614 4.660 0.001 0.000 0.337 1603 W C -0.365 175.899 176.519 -0.424 0.000 1.086 1603 W CA -0.338 56.744 57.345 -0.439 0.000 1.236 1603 W CB 1.415 30.751 29.460 -0.207 0.000 1.381 1603 W HN 1.000 nan 8.180 nan 0.000 0.472 1604 G N 1.431 109.756 108.800 -0.792 0.000 2.687 1604 G HA2 0.584 4.545 3.960 0.001 0.000 0.291 1604 G HA3 0.584 4.545 3.960 0.001 0.000 0.291 1604 G C -1.399 173.450 174.900 -0.085 0.000 1.420 1604 G CA -1.028 43.840 45.100 -0.386 0.000 0.796 1604 G HN 0.649 nan 8.290 nan 0.000 0.485 1605 V N 0.372 120.377 119.914 0.152 0.000 3.096 1605 V HA 0.256 4.377 4.120 0.001 0.000 0.306 1605 V C 1.903 178.218 176.094 0.368 0.000 1.088 1605 V CA 0.762 63.197 62.300 0.226 0.000 1.129 1605 V CB 1.590 33.509 31.823 0.161 0.000 1.014 1605 V HN 0.860 nan 8.190 nan 0.000 0.486 1606 S N 1.141 117.006 115.700 0.275 0.000 2.481 1606 S HA -0.104 4.366 4.470 0.001 0.000 0.231 1606 S C 2.048 176.742 174.600 0.157 0.000 0.996 1606 S CA 1.214 59.550 58.200 0.228 0.000 0.942 1606 S CB -0.263 63.036 63.200 0.165 0.000 0.768 1606 S HN 1.030 nan 8.310 nan 0.000 0.520 1607 S N 2.008 117.803 115.700 0.159 0.000 2.355 1607 S HA -0.171 4.299 4.470 0.001 0.000 0.222 1607 S C 1.079 175.768 174.600 0.147 0.000 1.031 1607 S CA 1.238 59.516 58.200 0.130 0.000 0.993 1607 S CB -1.092 62.178 63.200 0.116 0.000 0.859 1607 S HN 0.779 nan 8.310 nan 0.000 0.453 1608 D N 1.176 121.680 120.400 0.174 0.000 2.652 1608 D HA 0.290 4.931 4.640 0.001 0.000 0.247 1608 D C -0.230 176.158 176.300 0.147 0.000 1.232 1608 D CA -0.299 53.804 54.000 0.171 0.000 0.863 1608 D CB -0.531 40.374 40.800 0.175 0.000 1.023 1608 D HN 0.324 nan 8.370 nan 0.000 0.474 1609 L N 0.466 121.745 121.223 0.094 0.000 2.275 1609 L HA 0.430 4.770 4.340 0.001 0.000 0.288 1609 L C -0.512 176.394 176.870 0.060 0.000 1.046 1609 L CA -0.412 54.376 54.840 -0.086 0.000 0.805 1609 L CB 0.813 42.787 42.059 -0.142 0.000 1.193 1609 L HN 0.247 nan 8.230 nan 0.000 0.426 1610 W N 4.914 126.009 121.300 -0.342 0.000 3.365 1610 W HA 0.587 5.247 4.660 0.001 0.000 0.477 1610 W C 0.652 177.006 176.519 -0.275 0.000 1.356 1610 W CA 0.108 57.299 57.345 -0.256 0.000 1.038 1610 W CB 1.158 30.484 29.460 -0.224 0.000 2.489 1610 W HN 0.791 nan 8.180 nan 0.000 0.680 1611 G N 1.889 110.483 108.800 -0.343 0.000 2.682 1611 G HA2 -0.226 3.734 3.960 0.001 0.000 0.256 1611 G HA3 -0.226 3.734 3.960 0.001 0.000 0.256 1611 G C -1.113 173.568 174.900 -0.366 0.000 1.333 1611 G CA 0.487 45.410 45.100 -0.295 0.000 0.904 1611 G HN 0.512 nan 8.290 nan 0.000 0.569 1612 E N -1.030 119.016 120.200 -0.256 0.000 2.412 1612 E HA 0.550 4.901 4.350 0.001 0.000 0.279 1612 E C 0.948 177.450 176.600 -0.162 0.000 0.984 1612 E CA -0.098 56.164 56.400 -0.230 0.000 0.788 1612 E CB 1.279 30.838 29.700 -0.235 0.000 1.277 1612 E HN 0.785 nan 8.360 nan 0.000 0.455 1613 K N 0.683 120.999 120.400 -0.140 0.000 2.465 1613 K HA -0.301 4.020 4.320 0.001 0.000 0.211 1613 K C -0.871 175.679 176.600 -0.085 0.000 0.729 1613 K CA 2.704 58.929 56.287 -0.102 0.000 1.125 1613 K CB -1.844 30.602 32.500 -0.089 0.000 1.061 1613 K HN 0.561 nan 8.250 nan 0.000 0.630 1614 P HA -0.085 nan 4.420 nan 0.000 0.219 1614 P C -0.497 176.767 177.300 -0.060 0.000 1.154 1614 P CA 1.384 64.449 63.100 -0.059 0.000 0.826 1614 P CB 0.066 31.736 31.700 -0.050 0.000 0.795 1615 K N 0.514 120.869 120.400 -0.075 0.000 2.521 1615 K HA 0.535 4.855 4.320 0.001 0.000 0.248 1615 K C -0.557 175.975 176.600 -0.114 0.000 0.978 1615 K CA -0.626 55.617 56.287 -0.073 0.000 0.947 1615 K CB 1.086 33.555 32.500 -0.052 0.000 1.165 1615 K HN -0.052 nan 8.250 nan 0.000 0.445 1616 I N 2.665 123.149 120.570 -0.145 0.000 2.353 1616 I HA 0.138 4.308 4.170 0.001 0.000 0.293 1616 I C 0.029 175.969 176.117 -0.294 0.000 0.992 1616 I CA -0.457 60.694 61.300 -0.247 0.000 1.268 1616 I CB 1.858 39.670 38.000 -0.314 0.000 1.387 1616 I HN 0.714 nan 8.210 nan 0.000 0.478 1617 S N 4.602 120.132 115.700 -0.284 0.000 2.719 1617 S HA 0.554 5.025 4.470 0.001 0.000 0.285 1617 S C -1.120 173.169 174.600 -0.518 0.000 1.137 1617 S CA -0.450 57.617 58.200 -0.220 0.000 1.012 1617 S CB 1.019 64.232 63.200 0.022 0.000 1.134 1617 S HN 0.358 nan 8.310 nan 0.000 0.544 1618 Y N 0.231 120.368 120.300 -0.271 0.000 2.317 1618 Y HA 0.433 4.983 4.550 0.001 0.000 0.325 1618 Y C -0.858 174.932 175.900 -0.184 0.000 1.066 1618 Y CA -0.674 57.180 58.100 -0.410 0.000 1.203 1618 Y CB 0.638 38.377 38.460 -1.201 0.000 1.127 1618 Y HN 0.366 nan 8.280 nan 0.000 0.451 1619 I N 4.924 125.523 120.570 0.048 0.000 2.363 1619 I HA 0.143 4.313 4.170 0.001 0.000 0.292 1619 I C 0.267 176.477 176.117 0.155 0.000 1.075 1619 I CA -0.023 61.293 61.300 0.026 0.000 1.333 1619 I CB 0.236 38.153 38.000 -0.140 0.000 1.415 1619 I HN 0.456 nan 8.210 nan 0.000 0.502 1620 I N 7.786 128.487 120.570 0.219 0.000 2.501 1620 I HA 0.102 4.273 4.170 0.001 0.000 0.305 1620 I C 1.287 177.459 176.117 0.092 0.000 1.197 1620 I CA -0.127 61.313 61.300 0.233 0.000 1.793 1620 I CB -0.985 37.186 38.000 0.285 0.000 1.521 1620 I HN 0.656 nan 8.210 nan 0.000 0.843 1621 G N 3.917 112.751 108.800 0.057 0.000 2.621 1621 G HA2 0.118 4.079 3.960 0.001 0.000 0.271 1621 G HA3 0.118 4.079 3.960 0.001 0.000 0.271 1621 G C 1.071 175.894 174.900 -0.128 0.000 1.236 1621 G CA -0.544 44.542 45.100 -0.023 0.000 0.958 1621 G HN 0.705 nan 8.290 nan 0.000 0.512 1622 K N -0.652 119.657 120.400 -0.152 0.000 2.089 1622 K HA -0.175 4.145 4.320 0.001 0.000 0.210 1622 K C 1.346 177.777 176.600 -0.282 0.000 1.048 1622 K CA 2.132 58.278 56.287 -0.235 0.000 0.926 1622 K CB -0.229 32.194 32.500 -0.129 0.000 0.714 1622 K HN 0.350 nan 8.250 nan 0.000 0.448 1623 D N 0.715 121.035 120.400 -0.133 0.000 2.269 1623 D HA -0.027 4.613 4.640 0.001 0.000 0.208 1623 D C 0.089 176.292 176.300 -0.161 0.000 0.963 1623 D CA 0.830 54.798 54.000 -0.053 0.000 0.864 1623 D CB -0.017 40.805 40.800 0.037 0.000 0.936 1623 D HN 0.176 nan 8.370 nan 0.000 0.505 1624 T N 0.217 114.623 114.554 -0.246 0.000 2.919 1624 T HA 0.271 4.622 4.350 0.001 0.000 0.302 1624 T C -0.490 173.886 174.700 -0.540 0.000 1.031 1624 T CA 0.032 61.962 62.100 -0.284 0.000 1.127 1624 T CB 0.558 69.394 68.868 -0.054 0.000 0.952 1624 T HN 0.082 nan 8.240 nan 0.000 0.540 1625 W N 0.966 121.901 121.300 -0.607 0.000 3.032 1625 W HA 0.591 5.252 4.660 0.001 0.000 0.335 1625 W C -1.095 175.060 176.519 -0.607 0.000 1.154 1625 W CA -0.823 56.122 57.345 -0.668 0.000 1.204 1625 W CB 1.452 30.308 29.460 -1.008 0.000 1.416 1625 W HN 0.365 nan 8.180 nan 0.000 0.521 1626 V N 2.192 121.969 119.914 -0.228 0.000 2.881 1626 V HA 0.566 4.686 4.120 0.001 0.000 0.316 1626 V C -0.458 175.627 176.094 -0.015 0.000 1.070 1626 V CA -1.167 61.043 62.300 -0.150 0.000 0.976 1626 V CB 1.912 33.548 31.823 -0.312 0.000 1.038 1626 V HN 0.372 nan 8.190 nan 0.000 0.446 1627 E N 2.243 122.533 120.200 0.151 0.000 2.246 1627 E HA 0.380 4.730 4.350 0.001 0.000 0.266 1627 E C -1.043 175.697 176.600 0.233 0.000 0.880 1627 E CA -0.750 55.741 56.400 0.152 0.000 0.762 1627 E CB 2.300 32.098 29.700 0.163 0.000 1.180 1627 E HN 0.399 nan 8.360 nan 0.000 0.416 1628 L N 2.649 123.949 121.223 0.128 0.000 2.922 1628 L HA 0.100 4.441 4.340 0.001 0.000 0.244 1628 L C 0.212 177.016 176.870 -0.109 0.000 1.324 1628 L CA -0.201 54.645 54.840 0.010 0.000 1.172 1628 L CB -0.596 41.496 42.059 0.054 0.000 1.545 1628 L HN 0.458 nan 8.230 nan 0.000 0.438 1629 W N 2.312 123.466 121.300 -0.243 0.000 2.651 1629 W HA -0.166 4.494 4.660 0.001 0.000 0.325 1629 W C -1.860 174.532 176.519 -0.212 0.000 0.936 1629 W CA -0.917 56.310 57.345 -0.197 0.000 1.078 1629 W CB -0.088 29.280 29.460 -0.152 0.000 1.073 1629 W HN 0.249 nan 8.180 nan 0.000 0.545 1630 P HA -0.037 nan 4.420 nan 0.000 0.278 1630 P C 0.202 177.597 177.300 0.159 0.000 1.270 1630 P CA 0.424 63.578 63.100 0.089 0.000 0.800 1630 P CB 0.689 32.377 31.700 -0.020 0.000 1.142 1631 E N -1.000 119.225 120.200 0.041 0.000 2.808 1631 E HA 0.471 4.821 4.350 0.001 0.000 0.213 1631 E C 0.971 177.561 176.600 -0.017 0.000 0.784 1631 E CA -0.724 55.664 56.400 -0.020 0.000 1.154 1631 E CB -0.344 29.343 29.700 -0.021 0.000 1.693 1631 E HN 0.271 nan 8.360 nan 0.000 0.422 1632 A N 1.018 123.816 122.820 -0.036 0.000 2.243 1632 A HA -0.164 4.156 4.320 0.001 0.000 0.195 1632 A C 1.704 179.281 177.584 -0.012 0.000 1.405 1632 A CA 1.742 53.764 52.037 -0.025 0.000 0.651 1632 A CB -1.283 17.701 19.000 -0.027 0.000 1.010 1632 A HN 0.658 nan 8.150 nan 0.000 0.506 1633 E N -0.000 120.193 120.200 -0.011 0.000 2.147 1633 E HA -0.303 4.048 4.350 0.001 0.000 0.199 1633 E C 1.589 178.183 176.600 -0.010 0.000 1.005 1633 E CA 1.711 58.106 56.400 -0.009 0.000 0.810 1633 E CB -0.565 29.131 29.700 -0.007 0.000 0.736 1633 E HN 0.746 nan 8.360 nan 0.000 0.460 1634 E N 0.312 120.506 120.200 -0.010 0.000 2.118 1634 E HA -0.204 4.146 4.350 0.001 0.000 0.195 1634 E C 2.170 178.760 176.600 -0.017 0.000 0.992 1634 E CA 1.360 57.752 56.400 -0.012 0.000 0.804 1634 E CB -0.358 29.336 29.700 -0.010 0.000 0.741 1634 E HN 0.433 nan 8.360 nan 0.000 0.458 1635 c N 1.174 119.766 118.600 -0.014 0.000 2.430 1635 c HA -0.076 4.495 4.570 0.001 0.000 0.288 1635 c C 1.338 175.413 174.090 -0.026 0.000 1.448 1635 c CA 0.460 56.775 56.329 -0.023 0.000 1.784 1635 c CB -0.659 41.849 42.510 -0.004 0.000 1.776 1635 c HN 0.265 nan 8.230 nan 0.000 0.547 1636 Q N 1.278 121.067 119.800 -0.019 0.000 2.286 1636 Q HA 0.288 4.628 4.340 0.001 0.000 0.281 1636 Q C -0.218 175.771 176.000 -0.019 0.000 0.897 1636 Q CA 0.343 56.136 55.803 -0.018 0.000 1.023 1636 Q CB -0.023 28.707 28.738 -0.013 0.000 1.151 1636 Q HN 0.734 nan 8.270 nan 0.000 0.445 1637 D N -0.607 119.779 120.400 -0.023 0.000 2.624 1637 D HA 0.187 4.827 4.640 0.001 0.000 0.257 1637 D C 0.723 177.008 176.300 -0.025 0.000 1.167 1637 D CA -0.493 53.494 54.000 -0.021 0.000 1.086 1637 D CB 0.992 41.780 40.800 -0.021 0.000 1.210 1637 D HN -0.019 nan 8.370 nan 0.000 0.631 1638 E N 0.025 120.211 120.200 -0.023 0.000 2.166 1638 E HA -0.041 4.309 4.350 0.001 0.000 0.192 1638 E C 1.468 178.050 176.600 -0.030 0.000 0.967 1638 E CA 0.531 56.917 56.400 -0.025 0.000 0.840 1638 E CB 0.341 30.029 29.700 -0.020 0.000 0.795 1638 E HN 0.352 nan 8.360 nan 0.000 0.470 1639 E N 0.850 121.031 120.200 -0.031 0.000 2.158 1639 E HA -0.073 4.278 4.350 0.001 0.000 0.191 1639 E C 1.526 178.096 176.600 -0.050 0.000 0.982 1639 E CA 0.800 57.179 56.400 -0.036 0.000 0.823 1639 E CB -0.010 29.672 29.700 -0.030 0.000 0.766 1639 E HN 0.129 nan 8.360 nan 0.000 0.468 1640 N N 0.812 119.482 118.700 -0.051 0.000 2.300 1640 N HA -0.124 4.616 4.740 0.001 0.000 0.179 1640 N C 1.650 177.111 175.510 -0.082 0.000 1.016 1640 N CA 0.575 53.584 53.050 -0.069 0.000 0.876 1640 N CB -0.040 38.414 38.487 -0.055 0.000 0.979 1640 N HN -0.007 nan 8.380 nan 0.000 0.432 1641 Q N 1.188 120.950 119.800 -0.063 0.000 2.135 1641 Q HA -0.016 4.324 4.340 0.001 0.000 0.204 1641 Q C 1.399 177.354 176.000 -0.076 0.000 0.981 1641 Q CA 1.493 57.259 55.803 -0.063 0.000 0.856 1641 Q CB 0.064 28.775 28.738 -0.044 0.000 0.902 1641 Q HN 0.319 nan 8.270 nan 0.000 0.425 1642 K N -0.500 119.856 120.400 -0.074 0.000 2.057 1642 K HA -0.214 4.106 4.320 0.001 0.000 0.207 1642 K C 2.102 178.637 176.600 -0.109 0.000 1.049 1642 K CA 1.575 57.816 56.287 -0.077 0.000 0.931 1642 K CB -0.087 32.373 32.500 -0.065 0.000 0.714 1642 K HN 0.310 nan 8.250 nan 0.000 0.440 1643 Q N 0.619 120.334 119.800 -0.140 0.000 2.013 1643 Q HA -0.124 4.216 4.340 0.001 0.000 0.195 1643 Q C 2.387 178.196 176.000 -0.318 0.000 0.974 1643 Q CA 1.606 57.281 55.803 -0.213 0.000 0.826 1643 Q CB -0.082 28.530 28.738 -0.210 0.000 0.895 1643 Q HN 0.560 nan 8.270 nan 0.000 0.448 1644 c N 0.261 118.668 118.600 -0.323 0.000 2.421 1644 c HA -0.015 4.555 4.570 0.001 0.000 0.296 1644 c C 2.005 175.928 174.090 -0.279 0.000 1.470 1644 c CA 0.794 56.878 56.329 -0.409 0.000 1.779 1644 c CB -1.143 41.226 42.510 -0.236 0.000 1.715 1644 c HN 0.614 nan 8.230 nan 0.000 0.564 1645 E N 0.758 120.840 120.200 -0.196 0.000 2.201 1645 E HA -0.054 4.296 4.350 0.001 0.000 0.193 1645 E C 1.332 177.864 176.600 -0.112 0.000 0.957 1645 E CA 0.611 56.941 56.400 -0.116 0.000 0.858 1645 E CB 0.028 29.682 29.700 -0.077 0.000 0.816 1645 E HN 0.517 nan 8.360 nan 0.000 0.475 1646 D N 0.677 120.991 120.400 -0.143 0.000 2.178 1646 D HA -0.102 4.539 4.640 0.001 0.000 0.202 1646 D C 1.854 178.105 176.300 -0.083 0.000 0.974 1646 D CA 0.762 54.711 54.000 -0.084 0.000 0.841 1646 D CB 0.064 40.805 40.800 -0.097 0.000 0.953 1646 D HN 0.238 nan 8.370 nan 0.000 0.478 1647 L N 0.213 121.231 121.223 -0.342 0.000 2.313 1647 L HA 0.082 4.422 4.340 0.001 0.000 0.214 1647 L C 2.105 178.833 176.870 -0.237 0.000 1.119 1647 L CA 0.425 54.928 54.840 -0.562 0.000 0.809 1647 L CB -0.185 40.993 42.059 -1.469 0.000 0.933 1647 L HN -0.051 nan 8.230 nan 0.000 0.449 1648 A N -0.314 122.423 122.820 -0.139 0.000 2.239 1648 A HA -0.071 4.249 4.320 0.001 0.000 0.209 1648 A C 1.705 179.344 177.584 0.091 0.000 1.171 1648 A CA 0.879 52.947 52.037 0.052 0.000 0.768 1648 A CB -0.340 18.673 19.000 0.021 0.000 0.790 1648 A HN 0.413 nan 8.150 nan 0.000 0.478 1649 N N -1.724 117.039 118.700 0.106 0.000 2.322 1649 N HA 0.110 4.851 4.740 0.001 0.000 0.181 1649 N C 0.749 176.314 175.510 0.092 0.000 1.088 1649 N CA 0.438 53.537 53.050 0.081 0.000 0.885 1649 N CB -0.019 38.487 38.487 0.031 0.000 1.013 1649 N HN 0.443 nan 8.380 nan 0.000 0.472 1650 F N 1.354 121.285 119.950 -0.031 0.000 2.147 1650 F HA -0.004 4.523 4.527 0.001 0.000 0.291 1650 F C 2.745 178.569 175.800 0.040 0.000 1.093 1650 F CA 0.921 58.906 58.000 -0.025 0.000 1.263 1650 F CB -0.920 38.044 39.000 -0.061 0.000 1.036 1650 F HN -0.065 nan 8.300 nan 0.000 0.481 1651 T N 0.166 114.928 114.554 0.348 0.000 2.760 1651 T HA -0.240 4.110 4.350 0.001 0.000 0.269 1651 T C 0.878 175.671 174.700 0.156 0.000 1.047 1651 T CA 1.691 63.950 62.100 0.264 0.000 1.139 1651 T CB -0.559 68.515 68.868 0.343 0.000 0.855 1651 T HN 0.501 nan 8.240 nan 0.000 0.471 1652 E N 0.095 120.372 120.200 0.127 0.000 3.659 1652 E HA 0.311 4.662 4.350 0.001 0.000 0.217 1652 E C 0.323 176.952 176.600 0.049 0.000 1.141 1652 E CA -0.527 55.921 56.400 0.080 0.000 1.340 1652 E CB 0.084 29.826 29.700 0.069 0.000 1.295 1652 E HN 0.356 nan 8.360 nan 0.000 0.434 1653 N N 1.219 119.946 118.700 0.044 0.000 1.837 1653 N HA 0.007 4.748 4.740 0.001 0.000 0.228 1653 N C 0.423 175.965 175.510 0.052 0.000 1.442 1653 N CA 0.021 53.079 53.050 0.013 0.000 0.706 1653 N CB 0.484 38.932 38.487 -0.064 0.000 1.030 1653 N HN 0.167 nan 8.380 nan 0.000 0.553 1654 M N 0.777 120.420 119.600 0.071 0.000 2.461 1654 M HA 0.264 4.745 4.480 0.001 0.000 0.255 1654 M C 1.516 177.888 176.300 0.120 0.000 1.137 1654 M CA 0.529 55.883 55.300 0.089 0.000 1.086 1654 M CB 0.211 32.814 32.600 0.005 0.000 1.356 1654 M HN -0.061 nan 8.290 nan 0.000 0.487 1655 V N 0.351 120.347 119.914 0.136 0.000 3.052 1655 V HA -0.036 4.085 4.120 0.001 0.000 0.254 1655 V C 1.784 178.035 176.094 0.262 0.000 1.100 1655 V CA 0.880 63.274 62.300 0.157 0.000 1.112 1655 V CB -0.171 31.711 31.823 0.099 0.000 0.738 1655 V HN 0.355 nan 8.190 nan 0.000 0.469 1656 V N -1.852 118.193 119.914 0.218 0.000 3.043 1656 V HA 0.376 4.497 4.120 0.001 0.000 0.357 1656 V C 0.702 176.884 176.094 0.147 0.000 1.372 1656 V CA -0.896 61.492 62.300 0.147 0.000 1.214 1656 V CB -1.507 30.356 31.823 0.067 0.000 1.224 1656 V HN 0.355 nan 8.190 nan 0.000 0.507 1657 F N 0.581 120.525 119.950 -0.011 0.000 2.460 1657 F HA 0.687 5.215 4.527 0.001 0.000 0.292 1657 F C 0.861 176.648 175.800 -0.021 0.000 1.280 1657 F CA 0.427 58.411 58.000 -0.026 0.000 1.306 1657 F CB 0.164 39.153 39.000 -0.018 0.000 1.316 1657 F HN 0.203 nan 8.300 nan 0.000 0.523 1658 G N -0.931 107.715 108.800 -0.257 0.000 4.314 1658 G HA2 0.155 4.115 3.960 0.001 0.000 0.249 1658 G HA3 0.155 4.115 3.960 0.001 0.000 0.249 1658 G C -0.250 174.582 174.900 -0.113 0.000 3.443 1658 G CA -0.147 44.733 45.100 -0.366 0.000 0.602 1658 G HN 0.964 nan 8.290 nan 0.000 0.241 1659 c N 0.541 119.167 118.600 0.043 0.000 2.403 1659 c HA -0.025 4.546 4.570 0.001 0.000 0.279 1659 c C -0.614 173.499 174.090 0.039 0.000 1.269 1659 c CA 0.975 57.386 56.329 0.136 0.000 1.774 1659 c CB -0.470 42.203 42.510 0.272 0.000 1.993 1659 c HN 0.491 nan 8.230 nan 0.000 0.496 1660 P HA 0.137 nan 4.420 nan 0.000 0.230 1660 P C -0.139 177.145 177.300 -0.026 0.000 1.791 1660 P CA 0.202 63.293 63.100 -0.014 0.000 1.020 1660 P CB -0.648 31.032 31.700 -0.033 0.000 1.977 1661 N N 0.000 118.692 118.700 -0.014 0.000 1.763 1661 N HA 0.000 4.740 4.740 0.001 0.000 0.220 1661 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 1661 N CB 0.000 38.479 38.487 -0.014 0.000 1.341 1661 N HN 0.000 nan 8.380 nan 0.000 0.667