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 2nvx_1_A DATA FIRST_RESID 3 DATA SEQUENCE GQQYSSAPLR TVKEVQFGLF SPEEVRAISV AKIRFPETMD ETQTRAKIGG DATA SEQUENCE LNDPRLGSID RNLKCQTcQE GMNEcPGHFG HIDLAKPVFH VGFIAKIKKV DATA SEQUENCE CECVCMHCGK LLLDEHNELM RQALAIKDSK KRFAAIWTLC KTKMVCETDV DATA SEQUENCE PSEDDPTQLV SRGGCGNTQP TIRKDGLKLV GSWKXXXXXX XXXXXXLRVL DATA SEQUENCE STEEILNIFK HISVKDFTSL GFNEVFSRPE WMILTCLPVP PPPVRPSISF DATA SEQUENCE NESQRGEDDL TFKLADILKA NISLETLEHN GAPHHAIEEA ESLLQFHVAT DATA SEQUENCE YMDNDIAGQP QALQKSGRPV KSIRARLKGK EGRIRGNLMG KRVDFSARTV DATA SEQUENCE ISGDPNLELD QVGVPKSIAK TLTYPEVVTP YNIDRLTQLV RNGPNEHPGA DATA SEQUENCE KYVIRDSGDR IDLRYSKRAG DIQLQYGWKV ERHIMDNDPV LFNRQPSLHK DATA SEQUENCE MSMMAHRVKV IPYSTFRLNL SVTSPYNADF DGDEMNLHVP QSEETRAELS DATA SEQUENCE QLCAVPLQIV SPQSNKPCMG IVQDTLCGIR KLTLRDTFIE LDQVLNMLYW DATA SEQUENCE VPDWDGVIPT PAIIKPKPLW SGKQILSVAI PNGIHLQRFD EGTTLLSPKD DATA SEQUENCE NGMLIIDGQI IFGVVEKKTV GSSNGGLIHV VTREKGPQVC AKLFGNIQKV DATA SEQUENCE VNFWLLHNGF STGIGDTIAD GPTMREITET IAEAKKKVLD VTKEAQANLL DATA SEQUENCE TAKHGMTLRE SFEDNVVRFL NEARDKAGRL AEVNLKDLNN VKQMVMAGSK DATA SEQUENCE GSFINIAQMS ACVGQQSVEG KRIAFGFVDR TLPHFSKDDY SPESKGFVEN DATA SEQUENCE SYLRGLTPQE FFFHAMGGRE GLIDTAVKTA ETGYIQRRLV KALEDIMVHY DATA SEQUENCE DNTTRNSLGN VIQFIYGEDG MDAAHIEKQS LDTIGGSDAA FEKRYRVDLL DATA SEQUENCE NTDHTLDPSL LESGSEILGD LKLQVLLDEE YKQLVKDRKF LREVFVDGEA DATA SEQUENCE NWPLPVNIRR IIQNAQQTFH IDHTKPSDLT IKDIVLGVKD LQENLLVLRG DATA SEQUENCE KNEIIQNAQR DAVTLFCCLL RSRLATRRVL QEYRLTKQAF DWVLSNIEAQ DATA SEQUENCE FLRSVVHPGE MVGVLAAQSI GEPATQMTLX XXXXXXXXXK KVTSGVPRLK DATA SEQUENCE EILNVAKNMK TPSLTVYLEP GHAADQEQAK LIRSAIEHTT LKSVTIASEI DATA SEQUENCE YYDPDPRSTV IPEDEEIIQL HFSLXXXXXX XXXXQQSPWL LRLELDRAAM DATA SEQUENCE NDKDLTMGQV GERIKQTFKN DLFVIWSEDN DEKLIIRCRV VRXXXXXXXX DATA SEQUENCE XAEEDHMLKK IENTMLENIT LRGVENIERV VMMKYDRKVP SPTGEYVKEP DATA SEQUENCE EWVLETDGVN LSEVMTVPGI DPTRIYTNSF IDIMEVLGIE AGRAALYKEV DATA SEQUENCE YNVIASDGSY VNYRHMALLV DVMTTQGGLT SVTRHGFNRS NTGALMRCSF DATA SEQUENCE EETVEILFEA GASAELDDCR GVSENVILGQ MAPIGTGAFD VMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 3 G C 0.000 174.905 174.900 0.008 0.000 0.946 3 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 4 Q N -0.546 119.266 119.800 0.021 0.000 3.348 4 Q HA 0.541 4.886 4.340 0.007 0.000 0.330 4 Q C -0.166 175.863 176.000 0.049 0.000 0.928 4 Q CA -0.891 54.930 55.803 0.030 0.000 0.823 4 Q CB 1.187 29.943 28.738 0.030 0.000 1.774 4 Q HN 0.276 nan 8.270 nan 0.000 0.433 5 Q N -0.918 118.920 119.800 0.063 0.000 3.182 5 Q HA 0.450 4.794 4.340 0.007 0.000 0.212 5 Q C -1.422 174.681 176.000 0.171 0.000 1.099 5 Q CA -0.643 55.223 55.803 0.105 0.000 0.680 5 Q CB 1.413 30.201 28.738 0.083 0.000 3.554 5 Q HN 0.425 nan 8.270 nan 0.000 0.361 6 Y N 0.119 120.421 120.300 0.004 0.000 2.361 6 Y HA 0.328 4.883 4.550 0.007 0.000 0.328 6 Y C -1.527 174.376 175.900 0.005 0.000 1.044 6 Y CA -0.400 57.702 58.100 0.004 0.000 1.085 6 Y CB 1.902 40.364 38.460 0.004 0.000 1.194 6 Y HN 0.347 nan 8.280 nan 0.000 0.438 7 S N 2.897 118.435 115.700 -0.271 0.000 2.640 7 S HA 0.153 4.627 4.470 0.007 0.000 0.320 7 S C 0.682 175.192 174.600 -0.149 0.000 1.097 7 S CA -0.287 57.832 58.200 -0.135 0.000 1.092 7 S CB 1.359 64.490 63.200 -0.115 0.000 0.988 7 S HN 0.796 nan 8.310 nan 0.000 0.470 8 S N 2.323 117.994 115.700 -0.049 0.000 2.419 8 S HA -0.055 4.419 4.470 0.007 0.000 0.235 8 S C 1.012 175.585 174.600 -0.043 0.000 1.019 8 S CA 0.502 58.685 58.200 -0.029 0.000 0.982 8 S CB -0.357 62.847 63.200 0.007 0.000 0.789 8 S HN 0.922 nan 8.310 nan 0.000 0.490 9 A N 3.588 126.380 122.820 -0.045 0.000 2.454 9 A HA 0.575 4.899 4.320 0.007 0.000 0.260 9 A C -1.866 175.682 177.584 -0.061 0.000 1.106 9 A CA -1.363 50.649 52.037 -0.042 0.000 0.780 9 A CB -0.354 18.627 19.000 -0.032 0.000 1.044 9 A HN 0.345 nan 8.150 nan 0.000 0.498 10 P HA 0.363 nan 4.420 nan 0.000 0.272 10 P C -0.672 176.600 177.300 -0.047 0.000 1.254 10 P CA -0.313 62.756 63.100 -0.052 0.000 0.795 10 P CB 0.407 32.087 31.700 -0.033 0.000 1.022 11 L N 0.599 121.795 121.223 -0.044 0.000 2.386 11 L HA 0.665 5.009 4.340 0.007 0.000 0.271 11 L C -0.674 176.183 176.870 -0.021 0.000 0.993 11 L CA -0.255 54.565 54.840 -0.033 0.000 0.819 11 L CB 1.574 43.610 42.059 -0.039 0.000 1.294 11 L HN 0.288 nan 8.230 nan 0.000 0.414 12 R N 0.954 121.446 120.500 -0.014 0.000 2.710 12 R HA 0.519 4.863 4.340 0.007 0.000 0.270 12 R C -1.055 175.241 176.300 -0.006 0.000 1.021 12 R CA -0.490 55.605 56.100 -0.009 0.000 0.889 12 R CB 1.987 32.281 30.300 -0.009 0.000 1.243 12 R HN 0.789 nan 8.270 nan 0.000 0.464 13 T N -1.142 113.409 114.554 -0.005 0.000 2.926 13 T HA 0.214 4.569 4.350 0.007 0.000 0.307 13 T C 0.488 175.183 174.700 -0.008 0.000 1.059 13 T CA -0.651 61.446 62.100 -0.006 0.000 1.122 13 T CB 0.752 69.616 68.868 -0.006 0.000 0.972 13 T HN 0.142 nan 8.240 nan 0.000 0.545 14 V N 4.494 124.403 119.914 -0.010 0.000 2.572 14 V HA 0.168 4.292 4.120 0.007 0.000 0.291 14 V C 1.098 177.178 176.094 -0.022 0.000 1.039 14 V CA -0.202 62.089 62.300 -0.014 0.000 1.055 14 V CB 0.760 32.576 31.823 -0.011 0.000 0.969 14 V HN 0.899 nan 8.190 nan 0.000 0.482 15 K N 2.991 123.374 120.400 -0.027 0.000 2.266 15 K HA 0.328 4.653 4.320 0.007 0.000 0.209 15 K C 0.403 176.972 176.600 -0.051 0.000 1.065 15 K CA 0.454 56.721 56.287 -0.033 0.000 0.946 15 K CB 0.502 32.987 32.500 -0.025 0.000 1.069 15 K HN 0.652 nan 8.250 nan 0.000 0.472 16 E N 0.830 120.994 120.200 -0.061 0.000 2.227 16 E HA 0.427 4.781 4.350 0.007 0.000 0.268 16 E C -1.241 175.285 176.600 -0.123 0.000 0.907 16 E CA -0.684 55.658 56.400 -0.095 0.000 0.786 16 E CB 2.865 32.511 29.700 -0.090 0.000 1.191 16 E HN -0.253 nan 8.360 nan 0.000 0.411 17 V N 2.707 122.499 119.914 -0.203 0.000 2.443 17 V HA 0.197 4.321 4.120 0.007 0.000 0.293 17 V C -0.800 175.025 176.094 -0.449 0.000 1.021 17 V CA -0.707 61.419 62.300 -0.290 0.000 0.848 17 V CB 1.566 33.181 31.823 -0.347 0.000 0.998 17 V HN 0.550 nan 8.190 nan 0.000 0.424 18 Q N 4.237 123.840 119.800 -0.328 0.000 2.307 18 Q HA 0.580 4.924 4.340 0.007 0.000 0.262 18 Q C -1.526 174.394 176.000 -0.133 0.000 0.961 18 Q CA -0.245 55.356 55.803 -0.337 0.000 0.882 18 Q CB 1.189 29.734 28.738 -0.322 0.000 1.264 18 Q HN 0.476 nan 8.270 nan 0.000 0.446 19 F N 2.385 122.247 119.950 -0.147 0.000 2.420 19 F HA 0.821 5.352 4.527 0.007 0.000 0.342 19 F C 0.932 176.687 175.800 -0.075 0.000 1.113 19 F CA -0.517 57.433 58.000 -0.083 0.000 1.059 19 F CB 1.615 40.586 39.000 -0.048 0.000 1.128 19 F HN 0.641 nan 8.300 nan 0.000 0.475 20 G N 2.654 111.549 108.800 0.159 0.000 3.003 20 G HA2 0.765 4.729 3.960 0.007 0.000 0.243 20 G HA3 0.765 4.729 3.960 0.007 0.000 0.243 20 G C -1.585 173.329 174.900 0.023 0.000 1.176 20 G CA -0.676 44.493 45.100 0.115 0.000 0.812 20 G HN 0.449 nan 8.290 nan 0.000 0.584 21 L N -0.907 120.302 121.223 -0.023 0.000 2.403 21 L HA 0.577 4.921 4.340 0.007 0.000 0.253 21 L C -1.382 175.291 176.870 -0.329 0.000 1.045 21 L CA -0.796 53.996 54.840 -0.080 0.000 0.845 21 L CB 2.517 44.654 42.059 0.131 0.000 1.447 21 L HN 0.390 nan 8.230 nan 0.000 0.411 22 F N 0.344 120.237 119.950 -0.095 0.000 2.408 22 F HA 0.391 4.922 4.527 0.007 0.000 0.344 22 F C 0.705 176.169 175.800 -0.559 0.000 1.112 22 F CA -0.392 57.446 58.000 -0.270 0.000 1.096 22 F CB 1.809 40.733 39.000 -0.127 0.000 1.129 22 F HN 0.343 nan 8.300 nan 0.000 0.486 23 S N 3.740 118.989 115.700 -0.751 0.000 2.617 23 S HA 0.412 4.887 4.470 0.007 0.000 0.283 23 S C -1.902 172.473 174.600 -0.376 0.000 1.189 23 S CA -1.445 56.090 58.200 -1.109 0.000 1.036 23 S CB 1.765 64.087 63.200 -1.464 0.000 1.014 23 S HN 0.366 nan 8.310 nan 0.000 0.522 24 P HA -0.206 nan 4.420 nan 0.000 0.216 24 P C 1.051 178.304 177.300 -0.078 0.000 1.154 24 P CA 1.545 64.616 63.100 -0.047 0.000 0.865 24 P CB -0.007 31.719 31.700 0.043 0.000 0.789 25 E N -0.123 120.016 120.200 -0.102 0.000 2.058 25 E HA -0.222 4.132 4.350 0.007 0.000 0.194 25 E C 2.250 178.773 176.600 -0.129 0.000 0.997 25 E CA 1.179 57.522 56.400 -0.094 0.000 0.801 25 E CB -0.324 29.329 29.700 -0.079 0.000 0.746 25 E HN 0.449 nan 8.360 nan 0.000 0.450 26 E N 0.586 120.679 120.200 -0.179 0.000 2.001 26 E HA -0.168 4.186 4.350 0.007 0.000 0.193 26 E C 2.239 178.763 176.600 -0.127 0.000 0.994 26 E CA 1.295 57.609 56.400 -0.144 0.000 0.815 26 E CB 0.065 29.679 29.700 -0.144 0.000 0.770 26 E HN 0.019 nan 8.360 nan 0.000 0.453 27 V N 1.609 121.460 119.914 -0.106 0.000 2.277 27 V HA -0.359 3.765 4.120 0.007 0.000 0.255 27 V C 2.490 178.423 176.094 -0.268 0.000 1.074 27 V CA 2.519 64.736 62.300 -0.138 0.000 1.058 27 V CB -0.748 31.032 31.823 -0.072 0.000 0.656 27 V HN 0.312 nan 8.190 nan 0.000 0.449 28 R N -0.350 120.005 120.500 -0.242 0.000 2.189 28 R HA 0.095 4.439 4.340 0.007 0.000 0.218 28 R C 2.100 178.216 176.300 -0.306 0.000 1.074 28 R CA 1.130 57.014 56.100 -0.361 0.000 0.991 28 R CB -0.255 29.976 30.300 -0.115 0.000 0.883 28 R HN 0.579 nan 8.270 nan 0.000 0.457 29 A N 0.136 122.835 122.820 -0.201 0.000 2.140 29 A HA 0.068 4.393 4.320 0.007 0.000 0.209 29 A C 1.738 179.241 177.584 -0.134 0.000 1.181 29 A CA -0.021 51.931 52.037 -0.142 0.000 0.824 29 A CB 0.191 19.131 19.000 -0.099 0.000 0.879 29 A HN 0.128 nan 8.150 nan 0.000 0.480 30 I N 0.742 121.219 120.570 -0.154 0.000 2.761 30 I HA -0.017 4.157 4.170 0.007 0.000 0.261 30 I C 1.246 177.300 176.117 -0.106 0.000 1.198 30 I CA 0.869 62.093 61.300 -0.128 0.000 1.482 30 I CB 0.046 37.962 38.000 -0.140 0.000 1.100 30 I HN 0.330 nan 8.210 nan 0.000 0.445 31 S N -1.187 114.427 115.700 -0.144 0.000 2.672 31 S HA 0.452 4.926 4.470 0.007 0.000 0.276 31 S C 0.757 175.364 174.600 0.012 0.000 1.207 31 S CA -0.066 58.114 58.200 -0.033 0.000 1.002 31 S CB 1.772 64.922 63.200 -0.084 0.000 0.998 31 S HN 0.076 nan 8.310 nan 0.000 0.542 32 V N -2.593 117.396 119.914 0.124 0.000 3.473 32 V HA 0.532 4.656 4.120 0.007 0.000 0.253 32 V C 1.009 177.192 176.094 0.149 0.000 1.340 32 V CA 0.163 62.535 62.300 0.120 0.000 1.103 32 V CB -1.227 30.681 31.823 0.142 0.000 0.881 32 V HN 1.035 nan 8.190 nan 0.000 0.451 33 A N 0.856 123.788 122.820 0.187 0.000 2.332 33 A HA 0.518 4.842 4.320 0.007 0.000 0.258 33 A C 1.063 178.745 177.584 0.164 0.000 1.087 33 A CA 0.111 52.233 52.037 0.143 0.000 0.802 33 A CB 0.665 19.724 19.000 0.097 0.000 1.042 33 A HN 0.383 nan 8.150 nan 0.000 0.489 34 K N 0.039 120.456 120.400 0.028 0.000 2.306 34 K HA 0.249 4.573 4.320 0.007 0.000 0.200 34 K C -0.541 175.921 176.600 -0.229 0.000 1.083 34 K CA 0.181 56.418 56.287 -0.083 0.000 0.959 34 K CB 0.107 32.590 32.500 -0.028 0.000 0.994 34 K HN 0.627 nan 8.250 nan 0.000 0.492 35 I N 2.529 123.019 120.570 -0.133 0.000 7.686 35 I HA -0.288 3.886 4.170 0.007 0.000 0.126 35 I C 0.492 176.514 176.117 -0.159 0.000 1.840 35 I CA 0.591 61.809 61.300 -0.138 0.000 2.048 35 I CB -1.390 36.505 38.000 -0.174 0.000 3.688 35 I HN 0.386 nan 8.210 nan 0.000 0.172 36 R N 2.727 123.147 120.500 -0.133 0.000 2.098 36 R HA 0.299 4.643 4.340 0.007 0.000 0.203 36 R C 0.350 176.429 176.300 -0.370 0.000 1.166 36 R CA 0.699 56.628 56.100 -0.285 0.000 1.090 36 R CB 0.338 30.419 30.300 -0.365 0.000 0.992 36 R HN 0.254 nan 8.270 nan 0.000 0.477 37 F N 2.028 121.935 119.950 -0.072 0.000 2.397 37 F HA 0.264 4.795 4.527 0.007 0.000 0.331 37 F C -1.360 174.393 175.800 -0.079 0.000 1.090 37 F CA -2.536 55.423 58.000 -0.067 0.000 1.065 37 F CB 1.082 40.046 39.000 -0.060 0.000 1.184 37 F HN -0.048 nan 8.300 nan 0.000 0.499 38 P HA 0.008 nan 4.420 nan 0.000 0.249 38 P C -0.246 177.053 177.300 -0.002 0.000 1.229 38 P CA 0.541 63.650 63.100 0.014 0.000 0.788 38 P CB 0.198 31.898 31.700 -0.000 0.000 1.072 39 E N -0.489 119.731 120.200 0.032 0.000 2.605 39 E HA 0.167 4.521 4.350 0.007 0.000 0.255 39 E C 0.692 177.254 176.600 -0.064 0.000 1.369 39 E CA 0.212 56.593 56.400 -0.030 0.000 1.017 39 E CB 0.435 30.106 29.700 -0.049 0.000 1.086 39 E HN -0.045 nan 8.360 nan 0.000 0.605 40 T N -0.782 113.716 114.554 -0.093 0.000 3.221 40 T HA 0.235 4.589 4.350 0.007 0.000 0.250 40 T C 0.571 175.214 174.700 -0.095 0.000 0.988 40 T CA 0.113 62.148 62.100 -0.109 0.000 1.163 40 T CB 0.405 69.181 68.868 -0.152 0.000 1.098 40 T HN 0.251 nan 8.240 nan 0.000 0.422 41 M N 0.324 119.867 119.600 -0.095 0.000 2.970 41 M HA 0.413 4.897 4.480 0.007 0.000 0.284 41 M C -1.395 174.851 176.300 -0.088 0.000 1.254 41 M CA -0.682 54.566 55.300 -0.087 0.000 0.744 41 M CB 1.556 34.108 32.600 -0.080 0.000 1.758 41 M HN 0.014 nan 8.290 nan 0.000 0.428 42 D N 2.100 122.451 120.400 -0.081 0.000 3.082 42 D HA -0.126 4.518 4.640 0.007 0.000 0.234 42 D C -0.778 175.465 176.300 -0.095 0.000 1.159 42 D CA 0.832 54.786 54.000 -0.078 0.000 0.875 42 D CB -0.847 39.913 40.800 -0.066 0.000 0.946 42 D HN 0.550 nan 8.370 nan 0.000 0.411 43 E N 0.234 120.368 120.200 -0.110 0.000 1.881 43 E HA 0.243 4.597 4.350 0.007 0.000 0.264 43 E C -0.037 176.499 176.600 -0.106 0.000 1.243 43 E CA -0.001 56.316 56.400 -0.139 0.000 0.965 43 E CB -0.325 29.276 29.700 -0.165 0.000 1.055 43 E HN 0.355 nan 8.360 nan 0.000 0.412 44 T N 1.704 116.201 114.554 -0.095 0.000 3.429 44 T HA -0.331 4.023 4.350 0.007 0.000 0.417 44 T C 0.530 175.195 174.700 -0.058 0.000 0.767 44 T CA 1.026 63.084 62.100 -0.070 0.000 2.141 44 T CB -2.100 66.730 68.868 -0.065 0.000 1.699 44 T HN 0.904 nan 8.240 nan 0.000 0.685 45 Q N -2.284 117.482 119.800 -0.056 0.000 2.608 45 Q HA -0.207 4.137 4.340 0.007 0.000 0.154 45 Q C 0.374 176.344 176.000 -0.050 0.000 1.090 45 Q CA 1.991 57.765 55.803 -0.048 0.000 1.183 45 Q CB -2.255 26.460 28.738 -0.039 0.000 1.087 45 Q HN 0.930 nan 8.270 nan 0.000 1.015 46 T N 2.858 117.379 114.554 -0.055 0.000 2.761 46 T HA 0.106 4.460 4.350 0.007 0.000 0.262 46 T C 0.115 174.782 174.700 -0.055 0.000 0.968 46 T CA 0.327 62.395 62.100 -0.053 0.000 1.235 46 T CB -0.144 68.690 68.868 -0.056 0.000 0.925 46 T HN 0.112 nan 8.240 nan 0.000 0.545 47 R N 2.625 123.096 120.500 -0.048 0.000 2.357 47 R HA 0.451 4.795 4.340 0.007 0.000 0.330 47 R C 0.630 176.902 176.300 -0.046 0.000 1.102 47 R CA -0.189 55.882 56.100 -0.049 0.000 0.974 47 R CB 0.217 30.490 30.300 -0.044 0.000 1.002 47 R HN 0.761 nan 8.270 nan 0.000 0.463 48 A N 2.512 125.301 122.820 -0.051 0.000 2.032 48 A HA 0.302 4.627 4.320 0.007 0.000 0.169 48 A C 0.089 177.642 177.584 -0.051 0.000 1.369 48 A CA -0.425 51.584 52.037 -0.047 0.000 2.498 48 A CB 0.579 19.553 19.000 -0.043 0.000 2.850 48 A HN 0.388 nan 8.150 nan 0.000 1.174 49 K N -0.886 119.483 120.400 -0.051 0.000 2.410 49 K HA 0.568 4.892 4.320 0.007 0.000 0.204 49 K C -0.266 176.300 176.600 -0.057 0.000 1.268 49 K CA 0.657 56.913 56.287 -0.052 0.000 0.896 49 K CB 0.357 32.832 32.500 -0.042 0.000 1.401 49 K HN 0.768 nan 8.250 nan 0.000 0.479 50 I N 0.159 120.695 120.570 -0.057 0.000 8.588 50 I HA -0.197 3.977 4.170 0.007 0.000 0.130 50 I C 0.481 176.580 176.117 -0.029 0.000 1.859 50 I CA 0.338 61.599 61.300 -0.066 0.000 2.037 50 I CB -0.232 37.713 38.000 -0.090 0.000 3.859 50 I HN 0.391 nan 8.210 nan 0.000 0.169 51 G N 3.997 112.794 108.800 -0.005 0.000 3.374 51 G HA2 0.420 4.385 3.960 0.007 0.000 0.252 51 G HA3 0.420 4.385 3.960 0.007 0.000 0.252 51 G C 0.844 175.828 174.900 0.139 0.000 1.326 51 G CA 0.524 45.660 45.100 0.060 0.000 1.133 51 G HN 1.061 nan 8.290 nan 0.000 0.528 52 G N -0.187 108.676 108.800 0.105 0.000 2.760 52 G HA2 0.187 4.151 3.960 0.007 0.000 0.214 52 G HA3 0.187 4.151 3.960 0.007 0.000 0.214 52 G C 1.143 176.066 174.900 0.039 0.000 1.212 52 G CA 0.389 45.585 45.100 0.160 0.000 0.858 52 G HN 0.341 nan 8.290 nan 0.000 0.611 53 L N -1.094 120.122 121.223 -0.012 0.000 2.638 53 L HA 0.449 4.793 4.340 0.007 0.000 0.195 53 L C -0.465 176.364 176.870 -0.069 0.000 1.065 53 L CA 0.014 54.819 54.840 -0.057 0.000 0.859 53 L CB 0.627 42.637 42.059 -0.082 0.000 1.269 53 L HN 0.004 nan 8.230 nan 0.000 0.484 54 N N 1.107 119.766 118.700 -0.069 0.000 2.485 54 N HA 0.343 5.087 4.740 0.007 0.000 0.243 54 N C -0.664 174.810 175.510 -0.060 0.000 0.987 54 N CA 0.108 53.113 53.050 -0.075 0.000 0.940 54 N CB 1.480 39.917 38.487 -0.084 0.000 1.122 54 N HN 0.290 nan 8.380 nan 0.000 0.509 55 D N 0.737 121.102 120.400 -0.058 0.000 2.040 55 D HA -0.127 4.517 4.640 0.007 0.000 0.262 55 D C -2.369 173.916 176.300 -0.025 0.000 0.446 55 D CA 0.006 53.978 54.000 -0.048 0.000 1.369 55 D CB -1.390 39.386 40.800 -0.039 0.000 1.412 55 D HN 0.265 nan 8.370 nan 0.000 0.779 56 P HA 0.061 nan 4.420 nan 0.000 0.148 56 P C -0.624 176.697 177.300 0.035 0.000 0.756 56 P CA 1.507 64.616 63.100 0.016 0.000 1.236 56 P CB -0.681 31.034 31.700 0.024 0.000 1.438 57 R N -0.982 119.541 120.500 0.038 0.000 3.364 57 R HA -0.117 4.227 4.340 0.007 0.000 0.283 57 R C -0.081 176.259 176.300 0.066 0.000 1.128 57 R CA 0.169 56.318 56.100 0.081 0.000 0.762 57 R CB -2.159 28.207 30.300 0.110 0.000 1.336 57 R HN 0.392 nan 8.270 nan 0.000 0.429 58 L N -1.948 119.244 121.223 -0.052 0.000 2.656 58 L HA 0.718 5.062 4.340 0.007 0.000 0.252 58 L C 0.370 177.115 176.870 -0.210 0.000 1.129 58 L CA -0.589 54.105 54.840 -0.244 0.000 0.962 58 L CB 1.690 43.641 42.059 -0.180 0.000 1.565 58 L HN 0.154 nan 8.230 nan 0.000 0.389 59 G N 0.373 109.024 108.800 -0.248 0.000 2.614 59 G HA2 0.387 4.351 3.960 0.007 0.000 0.239 59 G HA3 0.387 4.351 3.960 0.007 0.000 0.239 59 G C -0.239 174.608 174.900 -0.089 0.000 1.240 59 G CA 0.396 45.408 45.100 -0.147 0.000 0.842 59 G HN 0.675 nan 8.290 nan 0.000 0.584 60 S N 0.034 115.699 115.700 -0.059 0.000 2.786 60 S HA 0.641 5.115 4.470 0.007 0.000 0.307 60 S C 0.778 175.353 174.600 -0.041 0.000 1.121 60 S CA -0.868 57.305 58.200 -0.046 0.000 0.975 60 S CB 1.792 64.972 63.200 -0.032 0.000 1.220 60 S HN 0.398 nan 8.310 nan 0.000 0.550 61 I N -0.801 119.747 120.570 -0.037 0.000 3.873 61 I HA 0.193 4.367 4.170 0.007 0.000 0.284 61 I C 0.187 176.287 176.117 -0.028 0.000 1.186 61 I CA 0.017 61.296 61.300 -0.035 0.000 1.362 61 I CB 0.044 38.020 38.000 -0.041 0.000 1.432 61 I HN 0.458 nan 8.210 nan 0.000 0.454 62 D N 3.033 123.416 120.400 -0.028 0.000 2.813 62 D HA 0.041 4.686 4.640 0.007 0.000 0.248 62 D C 0.029 176.318 176.300 -0.019 0.000 1.254 62 D CA 0.277 54.263 54.000 -0.024 0.000 0.921 62 D CB -0.444 40.341 40.800 -0.025 0.000 1.118 62 D HN 0.114 nan 8.370 nan 0.000 0.450 63 R N -0.535 119.955 120.500 -0.017 0.000 3.516 63 R HA -0.243 4.102 4.340 0.007 0.000 0.271 63 R C -0.584 175.709 176.300 -0.011 0.000 1.098 63 R CA 0.406 56.498 56.100 -0.013 0.000 0.732 63 R CB -2.298 27.995 30.300 -0.012 0.000 1.152 63 R HN 0.335 nan 8.270 nan 0.000 0.455 64 N N 0.065 118.758 118.700 -0.012 0.000 2.417 64 N HA 0.293 5.037 4.740 0.007 0.000 0.300 64 N C 0.749 176.257 175.510 -0.003 0.000 1.102 64 N CA -0.736 52.309 53.050 -0.009 0.000 0.886 64 N CB 1.017 39.497 38.487 -0.011 0.000 1.203 64 N HN 0.022 nan 8.380 nan 0.000 0.496 65 L N 1.240 122.464 121.223 0.001 0.000 2.693 65 L HA 0.049 4.394 4.340 0.007 0.000 0.242 65 L C 0.514 177.391 176.870 0.012 0.000 1.157 65 L CA 0.644 55.490 54.840 0.009 0.000 0.929 65 L CB -0.507 41.558 42.059 0.010 0.000 1.103 65 L HN 0.376 nan 8.230 nan 0.000 0.430 66 K N 0.106 120.509 120.400 0.005 0.000 3.006 66 K HA 0.066 4.390 4.320 0.007 0.000 0.262 66 K C 0.613 177.218 176.600 0.008 0.000 1.289 66 K CA -0.102 56.188 56.287 0.006 0.000 1.245 66 K CB 0.055 32.553 32.500 -0.003 0.000 1.614 66 K HN 0.223 nan 8.250 nan 0.000 0.322 67 C N 1.916 121.230 119.300 0.024 0.000 2.614 67 C HA 0.020 4.484 4.460 0.007 0.000 0.299 67 C C 0.099 175.146 174.990 0.096 0.000 1.293 67 C CA -0.184 58.854 59.018 0.034 0.000 1.713 67 C CB -1.767 26.000 27.740 0.044 0.000 1.890 67 C HN 0.894 nan 8.230 nan 0.000 0.602 68 Q N -0.411 119.432 119.800 0.071 0.000 2.391 68 Q HA -0.168 4.177 4.340 0.007 0.000 0.329 68 Q C 0.290 176.340 176.000 0.083 0.000 1.396 68 Q CA 1.137 56.988 55.803 0.081 0.000 0.817 68 Q CB -2.603 26.201 28.738 0.110 0.000 1.061 68 Q HN 0.670 nan 8.270 nan 0.000 0.336 69 T N -2.193 112.393 114.554 0.054 0.000 9.297 69 T HA -0.443 3.911 4.350 0.007 0.000 0.393 69 T C 1.478 176.207 174.700 0.048 0.000 1.628 69 T CA 1.575 63.699 62.100 0.040 0.000 2.547 69 T CB -2.192 66.692 68.868 0.026 0.000 2.891 69 T HN 1.063 nan 8.240 nan 0.000 1.219 70 c N 1.256 119.909 118.600 0.088 0.000 2.413 70 c HA 0.060 4.635 4.570 0.007 0.000 0.277 70 c C 1.565 175.705 174.090 0.084 0.000 1.265 70 c CA 1.675 58.073 56.329 0.115 0.000 1.752 70 c CB -1.348 41.332 42.510 0.283 0.000 1.998 70 c HN 0.825 nan 8.230 nan 0.000 0.489 71 Q N -1.946 117.894 119.800 0.067 0.000 0.444 71 Q HA -0.254 4.090 4.340 0.007 0.000 0.284 71 Q C 0.635 176.657 176.000 0.036 0.000 1.086 71 Q CA 0.973 56.801 55.803 0.041 0.000 0.320 71 Q CB -0.953 27.805 28.738 0.034 0.000 5.501 71 Q HN 0.658 nan 8.270 nan 0.000 0.312 72 E N -2.303 117.912 120.200 0.025 0.000 4.646 72 E HA -0.246 4.109 4.350 0.007 0.000 0.164 72 E C -0.155 176.456 176.600 0.019 0.000 0.971 72 E CA 1.277 57.690 56.400 0.023 0.000 2.508 72 E CB -1.209 28.509 29.700 0.030 0.000 1.645 72 E HN 1.461 nan 8.360 nan 0.000 0.567 73 G N -0.709 108.103 108.800 0.021 0.000 2.380 73 G HA2 0.172 4.136 3.960 0.007 0.000 0.250 73 G HA3 0.172 4.136 3.960 0.007 0.000 0.250 73 G C 0.310 175.220 174.900 0.017 0.000 1.578 73 G CA 0.092 45.201 45.100 0.014 0.000 0.974 73 G HN 0.074 nan 8.290 nan 0.000 0.680 74 M N 0.976 120.582 119.600 0.009 0.000 2.192 74 M HA -0.255 4.229 4.480 0.007 0.000 0.245 74 M C 1.870 178.179 176.300 0.014 0.000 1.093 74 M CA 2.111 57.415 55.300 0.007 0.000 1.058 74 M CB -0.142 32.457 32.600 -0.002 0.000 1.346 74 M HN 0.600 nan 8.290 nan 0.000 0.394 75 N N -0.151 118.557 118.700 0.013 0.000 2.482 75 N HA -0.059 4.685 4.740 0.007 0.000 0.220 75 N C 0.666 176.190 175.510 0.023 0.000 1.255 75 N CA 0.567 53.626 53.050 0.016 0.000 0.850 75 N CB 0.353 38.846 38.487 0.010 0.000 1.127 75 N HN 0.379 nan 8.380 nan 0.000 0.475 76 E N -1.353 118.865 120.200 0.030 0.000 2.714 76 E HA 0.193 4.547 4.350 0.007 0.000 0.240 76 E C -0.660 175.973 176.600 0.055 0.000 1.102 76 E CA 0.025 56.448 56.400 0.039 0.000 1.758 76 E CB 0.041 29.762 29.700 0.036 0.000 2.849 76 E HN 0.130 nan 8.360 nan 0.000 1.071 77 c N 3.997 122.635 118.600 0.064 0.000 2.624 77 c HA 0.250 4.825 4.570 0.007 0.000 0.397 77 c C -1.437 172.709 174.090 0.092 0.000 1.331 77 c CA -0.754 55.636 56.329 0.102 0.000 1.716 77 c CB 0.641 43.217 42.510 0.109 0.000 2.452 77 c HN 0.434 nan 8.230 nan 0.000 0.586 78 P HA 0.133 nan 4.420 nan 0.000 0.229 78 P C 0.615 177.989 177.300 0.123 0.000 1.160 78 P CA 1.129 64.299 63.100 0.116 0.000 0.777 78 P CB 0.079 31.859 31.700 0.133 0.000 0.814 79 G N 1.463 110.351 108.800 0.146 0.000 2.898 79 G HA2 -0.139 3.825 3.960 0.007 0.000 0.267 79 G HA3 -0.139 3.825 3.960 0.007 0.000 0.267 79 G C -0.015 174.995 174.900 0.182 0.000 1.061 79 G CA -0.515 44.595 45.100 0.016 0.000 1.230 79 G HN 0.473 nan 8.290 nan 0.000 0.569 80 H N -0.376 118.787 119.070 0.155 0.000 2.942 80 H HA 0.374 4.934 4.556 0.007 0.000 0.384 80 H C 0.919 176.354 175.328 0.177 0.000 1.438 80 H CA 0.576 56.761 56.048 0.228 0.000 1.453 80 H CB 0.579 30.427 29.762 0.142 0.000 1.451 80 H HN 0.597 nan 8.280 nan 0.000 0.604 81 F N -1.876 118.127 119.950 0.088 0.000 1.827 81 F HA 0.261 4.793 4.527 0.007 0.000 0.264 81 F C 1.690 177.523 175.800 0.054 0.000 1.109 81 F CA 1.178 59.212 58.000 0.056 0.000 1.264 81 F CB -0.048 38.992 39.000 0.066 0.000 1.648 81 F HN 0.978 nan 8.300 nan 0.000 0.513 82 G N 0.737 109.751 108.800 0.356 0.000 2.582 82 G HA2 -0.152 3.812 3.960 0.007 0.000 0.300 82 G HA3 -0.152 3.812 3.960 0.007 0.000 0.300 82 G C -0.667 174.490 174.900 0.427 0.000 1.300 82 G CA 0.800 46.116 45.100 0.360 0.000 0.959 82 G HN 1.426 nan 8.290 nan 0.000 0.548 83 H N -3.731 115.373 119.070 0.057 0.000 2.915 83 H HA 0.535 5.095 4.556 0.007 0.000 0.263 83 H C -1.478 173.841 175.328 -0.015 0.000 1.373 83 H CA -0.456 55.611 56.048 0.031 0.000 1.354 83 H CB 0.694 30.475 29.762 0.032 0.000 1.866 83 H HN 1.428 nan 8.280 nan 0.000 0.479 84 I N 2.200 122.692 120.570 -0.130 0.000 2.468 84 I HA 0.271 4.445 4.170 0.007 0.000 0.285 84 I C -1.077 174.969 176.117 -0.118 0.000 1.039 84 I CA -0.431 60.756 61.300 -0.189 0.000 1.074 84 I CB 1.585 39.501 38.000 -0.141 0.000 1.228 84 I HN 0.666 nan 8.210 nan 0.000 0.436 85 D N 8.508 128.818 120.400 -0.150 0.000 2.367 85 D HA 0.167 4.811 4.640 0.007 0.000 0.255 85 D C -0.133 176.141 176.300 -0.043 0.000 1.300 85 D CA 0.311 54.273 54.000 -0.064 0.000 0.959 85 D CB 0.548 41.305 40.800 -0.072 0.000 1.064 85 D HN 0.428 nan 8.370 nan 0.000 0.509 86 L N 2.121 123.336 121.223 -0.014 0.000 2.315 86 L HA 0.145 4.489 4.340 0.007 0.000 0.283 86 L C 1.619 178.489 176.870 -0.001 0.000 1.089 86 L CA -0.416 54.420 54.840 -0.007 0.000 0.833 86 L CB 1.232 43.295 42.059 0.007 0.000 1.170 86 L HN 0.346 nan 8.230 nan 0.000 0.442 87 A N 4.750 127.568 122.820 -0.005 0.000 1.845 87 A HA -0.031 4.293 4.320 0.007 0.000 0.215 87 A C 1.007 178.594 177.584 0.005 0.000 1.195 87 A CA 1.099 53.138 52.037 0.003 0.000 0.616 87 A CB -0.049 18.954 19.000 0.005 0.000 0.832 87 A HN 0.519 nan 8.150 nan 0.000 0.443 88 K N 0.908 121.309 120.400 0.001 0.000 2.276 88 K HA 0.362 4.686 4.320 0.007 0.000 0.285 88 K C -2.726 173.860 176.600 -0.024 0.000 1.062 88 K CA -2.246 54.037 56.287 -0.007 0.000 0.918 88 K CB 0.579 33.078 32.500 -0.001 0.000 1.055 88 K HN 0.106 nan 8.250 nan 0.000 0.477 89 P HA -0.061 nan 4.420 nan 0.000 0.266 89 P C -0.699 176.503 177.300 -0.165 0.000 1.186 89 P CA 0.025 63.078 63.100 -0.079 0.000 0.767 89 P CB 0.513 32.160 31.700 -0.087 0.000 0.820 90 V N 3.991 123.813 119.914 -0.154 0.000 2.686 90 V HA 0.312 4.436 4.120 0.007 0.000 0.306 90 V C -0.065 175.967 176.094 -0.104 0.000 1.065 90 V CA -0.576 61.636 62.300 -0.147 0.000 0.894 90 V CB 1.149 32.984 31.823 0.020 0.000 1.004 90 V HN 0.361 nan 8.190 nan 0.000 0.424 91 F N 3.276 123.305 119.950 0.132 0.000 2.587 91 F HA 0.244 4.775 4.527 0.007 0.000 0.327 91 F C 0.845 176.754 175.800 0.182 0.000 1.232 91 F CA 0.305 58.400 58.000 0.158 0.000 1.353 91 F CB 0.178 39.261 39.000 0.139 0.000 1.156 91 F HN 0.498 nan 8.300 nan 0.000 0.599 92 H N 0.144 119.409 119.070 0.325 0.000 2.499 92 H HA 0.356 4.916 4.556 0.007 0.000 0.340 92 H C 0.397 175.829 175.328 0.173 0.000 1.148 92 H CA -0.642 55.550 56.048 0.241 0.000 1.215 92 H CB 1.886 31.813 29.762 0.275 0.000 1.529 92 H HN 0.424 nan 8.280 nan 0.000 0.510 93 V N 3.385 123.145 119.914 -0.256 0.000 2.273 93 V HA -0.056 4.069 4.120 0.007 0.000 0.242 93 V C 2.508 178.542 176.094 -0.101 0.000 1.035 93 V CA 1.730 63.947 62.300 -0.138 0.000 1.013 93 V CB -1.034 30.662 31.823 -0.212 0.000 0.652 93 V HN 0.890 nan 8.190 nan 0.000 0.452 94 G N -0.863 107.755 108.800 -0.303 0.000 2.471 94 G HA2 -0.165 3.800 3.960 0.007 0.000 0.219 94 G HA3 -0.165 3.800 3.960 0.007 0.000 0.219 94 G C 1.178 175.717 174.900 -0.603 0.000 1.125 94 G CA 0.415 45.131 45.100 -0.639 0.000 0.775 94 G HN 0.496 nan 8.290 nan 0.000 0.548 95 F N 0.296 120.201 119.950 -0.075 0.000 2.727 95 F HA 0.355 4.886 4.527 0.007 0.000 0.302 95 F C 2.082 177.906 175.800 0.041 0.000 1.097 95 F CA -0.821 57.144 58.000 -0.059 0.000 1.330 95 F CB 0.247 39.174 39.000 -0.122 0.000 1.084 95 F HN -0.020 nan 8.300 nan 0.000 0.578 96 I N 0.516 121.186 120.570 0.167 0.000 2.194 96 I HA -0.347 3.828 4.170 0.007 0.000 0.246 96 I C 2.656 178.843 176.117 0.118 0.000 1.093 96 I CA 1.558 62.935 61.300 0.127 0.000 1.355 96 I CB -1.392 36.637 38.000 0.047 0.000 1.046 96 I HN 0.161 nan 8.210 nan 0.000 0.413 97 A N 0.661 123.528 122.820 0.078 0.000 1.859 97 A HA -0.257 4.067 4.320 0.007 0.000 0.217 97 A C 2.399 180.068 177.584 0.142 0.000 1.198 97 A CA 1.940 54.024 52.037 0.079 0.000 0.629 97 A CB -0.583 18.429 19.000 0.021 0.000 0.830 97 A HN 0.361 nan 8.150 nan 0.000 0.446 98 K N -1.009 119.490 120.400 0.166 0.000 2.167 98 K HA 0.081 4.405 4.320 0.007 0.000 0.203 98 K C 1.873 178.635 176.600 0.269 0.000 1.052 98 K CA 0.933 57.354 56.287 0.223 0.000 0.956 98 K CB -0.267 32.343 32.500 0.183 0.000 0.735 98 K HN 0.533 nan 8.250 nan 0.000 0.451 99 I N 1.645 122.368 120.570 0.254 0.000 2.163 99 I HA -0.350 3.824 4.170 0.007 0.000 0.243 99 I C 2.573 178.864 176.117 0.290 0.000 1.085 99 I CA 1.379 62.837 61.300 0.263 0.000 1.347 99 I CB -0.190 37.984 38.000 0.290 0.000 1.044 99 I HN 0.156 nan 8.210 nan 0.000 0.408 100 K N 1.419 121.969 120.400 0.250 0.000 2.001 100 K HA -0.278 4.046 4.320 0.007 0.000 0.214 100 K C 2.145 178.939 176.600 0.324 0.000 1.050 100 K CA 1.897 58.329 56.287 0.242 0.000 0.934 100 K CB -0.131 32.491 32.500 0.203 0.000 0.718 100 K HN 0.162 nan 8.250 nan 0.000 0.443 101 K N 0.152 120.794 120.400 0.403 0.000 2.059 101 K HA -0.169 4.155 4.320 0.007 0.000 0.212 101 K C 2.082 179.007 176.600 0.541 0.000 1.050 101 K CA 1.921 58.562 56.287 0.589 0.000 0.927 101 K CB -0.194 32.649 32.500 0.571 0.000 0.714 101 K HN 0.067 nan 8.250 nan 0.000 0.447 102 V N 0.668 120.884 119.914 0.504 0.000 2.427 102 V HA -0.246 3.878 4.120 0.007 0.000 0.248 102 V C 2.248 178.568 176.094 0.377 0.000 1.051 102 V CA 1.364 63.939 62.300 0.458 0.000 1.048 102 V CB -0.353 31.680 31.823 0.349 0.000 0.666 102 V HN 0.429 nan 8.190 nan 0.000 0.456 103 C N -0.079 119.436 119.300 0.358 0.000 2.449 103 C HA -0.052 4.412 4.460 0.007 0.000 0.283 103 C C 2.302 177.376 174.990 0.141 0.000 1.453 103 C CA 0.550 59.719 59.018 0.251 0.000 1.779 103 C CB -1.264 26.615 27.740 0.231 0.000 1.779 103 C HN 0.590 nan 8.230 nan 0.000 0.546 104 E N -1.442 118.848 120.200 0.151 0.000 2.479 104 E HA -0.006 4.348 4.350 0.007 0.000 0.193 104 E C 1.410 178.015 176.600 0.008 0.000 1.049 104 E CA 0.285 56.705 56.400 0.033 0.000 0.870 104 E CB 0.165 29.855 29.700 -0.017 0.000 0.944 104 E HN 0.667 nan 8.360 nan 0.000 0.492 105 C N 0.099 119.459 119.300 0.099 0.000 3.230 105 C HA 0.258 4.723 4.460 0.007 0.000 0.300 105 C C 0.542 175.580 174.990 0.080 0.000 1.292 105 C CA -0.415 58.651 59.018 0.080 0.000 1.707 105 C CB 0.482 28.309 27.740 0.145 0.000 2.181 105 C HN -0.046 nan 8.230 nan 0.000 0.655 106 V N 1.428 121.400 119.914 0.096 0.000 2.531 106 V HA 0.382 4.506 4.120 0.007 0.000 0.301 106 V C 0.460 176.568 176.094 0.024 0.000 1.034 106 V CA -0.868 61.470 62.300 0.063 0.000 0.865 106 V CB 1.047 32.926 31.823 0.095 0.000 0.995 106 V HN 0.562 nan 8.190 nan 0.000 0.424 107 C N 5.816 125.124 119.300 0.013 0.000 2.757 107 C HA 0.642 5.106 4.460 0.007 0.000 0.303 107 C C 0.514 175.507 174.990 0.005 0.000 1.745 107 C CA -0.555 58.475 59.018 0.020 0.000 2.052 107 C CB 0.190 27.956 27.740 0.042 0.000 1.970 107 C HN 0.745 nan 8.230 nan 0.000 0.586 108 M N -0.278 119.349 119.600 0.044 0.000 2.679 108 M HA 0.417 4.901 4.480 0.007 0.000 0.287 108 M C 1.106 177.421 176.300 0.025 0.000 1.202 108 M CA -0.284 54.994 55.300 -0.036 0.000 0.911 108 M CB -0.323 32.222 32.600 -0.091 0.000 1.556 108 M HN 1.017 nan 8.290 nan 0.000 0.511 109 H N -0.439 118.630 119.070 -0.002 0.000 4.856 109 H HA -0.252 4.309 4.556 0.007 0.000 0.059 109 H C 1.624 176.931 175.328 -0.036 0.000 0.596 109 H CA 2.594 58.633 56.048 -0.015 0.000 0.946 109 H CB -1.520 28.236 29.762 -0.009 0.000 0.453 109 H HN 0.883 nan 8.280 nan 0.000 0.801 110 C N 1.609 120.965 119.300 0.092 0.000 2.518 110 C HA 0.600 5.064 4.460 0.007 0.000 0.283 110 C C 1.541 176.511 174.990 -0.033 0.000 1.351 110 C CA 1.167 60.185 59.018 0.001 0.000 1.745 110 C CB -0.223 27.513 27.740 -0.007 0.000 2.107 110 C HN 1.443 nan 8.230 nan 0.000 0.502 111 G N 1.568 110.352 108.800 -0.025 0.000 2.694 111 G HA2 -0.055 3.909 3.960 0.007 0.000 0.247 111 G HA3 -0.055 3.909 3.960 0.007 0.000 0.247 111 G C -0.724 174.155 174.900 -0.035 0.000 0.989 111 G CA 0.426 45.495 45.100 -0.053 0.000 1.252 111 G HN 1.035 nan 8.290 nan 0.000 0.483 112 K N 1.464 121.854 120.400 -0.018 0.000 2.556 112 K HA 0.602 4.926 4.320 0.007 0.000 0.274 112 K C 0.471 177.075 176.600 0.007 0.000 0.966 112 K CA -1.260 55.021 56.287 -0.009 0.000 0.865 112 K CB 1.376 33.874 32.500 -0.003 0.000 1.444 112 K HN 0.344 nan 8.250 nan 0.000 0.433 113 L N 4.281 125.511 121.223 0.013 0.000 2.559 113 L HA -0.057 4.287 4.340 0.007 0.000 0.282 113 L C 1.329 178.215 176.870 0.026 0.000 1.232 113 L CA 0.185 55.042 54.840 0.028 0.000 0.885 113 L CB 0.293 42.373 42.059 0.035 0.000 1.131 113 L HN 0.692 nan 8.230 nan 0.000 0.498 114 L N 3.984 125.221 121.223 0.023 0.000 2.068 114 L HA -0.000 4.344 4.340 0.007 0.000 0.204 114 L C 0.382 177.262 176.870 0.017 0.000 1.076 114 L CA 0.947 55.794 54.840 0.013 0.000 0.753 114 L CB -0.068 41.989 42.059 -0.003 0.000 0.910 114 L HN 0.459 nan 8.230 nan 0.000 0.439 115 L N 0.330 121.566 121.223 0.022 0.000 2.318 115 L HA 0.294 4.638 4.340 0.007 0.000 0.277 115 L C -0.470 176.433 176.870 0.054 0.000 1.008 115 L CA -0.583 54.277 54.840 0.034 0.000 0.846 115 L CB 1.380 43.450 42.059 0.019 0.000 1.220 115 L HN 0.030 nan 8.230 nan 0.000 0.423 116 D N 1.580 122.035 120.400 0.091 0.000 2.348 116 D HA 0.012 4.656 4.640 0.007 0.000 0.272 116 D C 0.891 177.227 176.300 0.060 0.000 1.237 116 D CA -0.065 53.997 54.000 0.104 0.000 1.042 116 D CB 0.782 41.713 40.800 0.219 0.000 1.117 116 D HN 0.480 nan 8.370 nan 0.000 0.548 117 E N -0.612 119.576 120.200 -0.021 0.000 2.409 117 E HA -0.110 4.244 4.350 0.007 0.000 0.198 117 E C 1.652 178.180 176.600 -0.121 0.000 1.024 117 E CA 0.654 56.998 56.400 -0.092 0.000 0.861 117 E CB -0.111 29.499 29.700 -0.151 0.000 0.788 117 E HN 0.367 nan 8.360 nan 0.000 0.521 118 H N 0.242 119.318 119.070 0.010 0.000 2.423 118 H HA -0.022 4.539 4.556 0.007 0.000 0.297 118 H C 0.936 176.267 175.328 0.005 0.000 1.075 118 H CA 0.705 56.757 56.048 0.007 0.000 1.342 118 H CB -0.084 29.681 29.762 0.005 0.000 1.395 118 H HN 0.115 nan 8.280 nan 0.000 0.530 119 N N 1.901 120.671 118.700 0.117 0.000 2.483 119 N HA -0.100 4.644 4.740 0.007 0.000 0.264 119 N C 0.201 175.732 175.510 0.035 0.000 1.197 119 N CA 0.373 53.460 53.050 0.061 0.000 0.927 119 N CB 0.744 39.258 38.487 0.045 0.000 1.065 119 N HN 0.332 nan 8.380 nan 0.000 0.461 120 E N 3.582 123.798 120.200 0.027 0.000 2.336 120 E HA 0.157 4.511 4.350 0.007 0.000 0.214 120 E C 0.423 177.032 176.600 0.015 0.000 1.144 120 E CA 0.020 56.431 56.400 0.018 0.000 1.294 120 E CB 0.105 29.816 29.700 0.017 0.000 1.263 120 E HN 0.619 nan 8.360 nan 0.000 0.439 121 L N -0.634 120.598 121.223 0.015 0.000 2.860 121 L HA 0.137 4.481 4.340 0.007 0.000 0.251 121 L C 1.625 178.505 176.870 0.017 0.000 1.041 121 L CA 0.014 54.862 54.840 0.014 0.000 0.985 121 L CB 0.059 42.125 42.059 0.011 0.000 1.656 121 L HN 0.257 nan 8.230 nan 0.000 0.526 122 M N 0.306 119.917 119.600 0.018 0.000 2.446 122 M HA -0.082 4.402 4.480 0.007 0.000 0.263 122 M C 1.934 178.246 176.300 0.020 0.000 1.066 122 M CA 1.631 56.944 55.300 0.021 0.000 1.087 122 M CB -0.334 32.280 32.600 0.024 0.000 1.406 122 M HN -0.004 nan 8.290 nan 0.000 0.459 123 R N -0.713 119.795 120.500 0.014 0.000 2.285 123 R HA -0.082 4.262 4.340 0.007 0.000 0.213 123 R C 1.212 177.522 176.300 0.016 0.000 1.068 123 R CA 0.867 56.973 56.100 0.010 0.000 1.004 123 R CB -0.222 30.079 30.300 0.003 0.000 0.873 123 R HN 0.578 nan 8.270 nan 0.000 0.467 124 Q N -1.064 118.748 119.800 0.020 0.000 2.246 124 Q HA 0.198 4.543 4.340 0.007 0.000 0.202 124 Q C 0.932 176.950 176.000 0.030 0.000 0.883 124 Q CA 0.044 55.861 55.803 0.023 0.000 0.952 124 Q CB 1.233 29.984 28.738 0.022 0.000 1.078 124 Q HN 0.281 nan 8.270 nan 0.000 0.493 125 A N -0.113 122.727 122.820 0.034 0.000 1.988 125 A HA 0.133 4.457 4.320 0.007 0.000 0.201 125 A C 1.544 179.158 177.584 0.050 0.000 1.410 125 A CA -0.011 52.052 52.037 0.045 0.000 0.832 125 A CB -0.092 18.937 19.000 0.048 0.000 0.981 125 A HN 0.273 nan 8.150 nan 0.000 0.492 126 L N -0.017 121.233 121.223 0.045 0.000 2.549 126 L HA -0.039 4.306 4.340 0.007 0.000 0.229 126 L C 2.292 179.187 176.870 0.042 0.000 1.158 126 L CA 0.889 55.758 54.840 0.048 0.000 0.842 126 L CB -0.032 42.050 42.059 0.039 0.000 0.952 126 L HN 0.476 nan 8.230 nan 0.000 0.452 127 A N -1.018 121.824 122.820 0.036 0.000 2.259 127 A HA 0.242 4.566 4.320 0.007 0.000 0.213 127 A C 0.940 178.544 177.584 0.033 0.000 1.209 127 A CA -0.333 51.723 52.037 0.032 0.000 0.910 127 A CB 0.199 19.213 19.000 0.024 0.000 0.946 127 A HN 0.183 nan 8.150 nan 0.000 0.497 128 I N 1.250 121.842 120.570 0.037 0.000 2.692 128 I HA 0.087 4.261 4.170 0.007 0.000 0.284 128 I C 0.142 176.282 176.117 0.039 0.000 1.159 128 I CA -0.143 61.179 61.300 0.037 0.000 1.423 128 I CB 0.756 38.780 38.000 0.040 0.000 1.380 128 I HN 0.187 nan 8.210 nan 0.000 0.580 129 K N 5.285 125.705 120.400 0.033 0.000 2.120 129 K HA 0.191 4.516 4.320 0.007 0.000 0.245 129 K C -0.763 175.856 176.600 0.031 0.000 1.024 129 K CA -0.390 55.915 56.287 0.030 0.000 0.906 129 K CB 0.282 32.796 32.500 0.024 0.000 1.051 129 K HN 0.660 nan 8.250 nan 0.000 0.491 130 D N -0.266 120.149 120.400 0.025 0.000 10.441 130 D HA -0.113 4.532 4.640 0.007 0.000 0.313 130 D C -0.167 176.151 176.300 0.030 0.000 2.994 130 D CA 0.338 54.350 54.000 0.020 0.000 2.691 130 D CB -0.057 40.754 40.800 0.018 0.000 1.149 130 D HN 0.503 nan 8.370 nan 0.000 0.886 131 S N 1.728 117.437 115.700 0.014 0.000 2.522 131 S HA -0.056 4.419 4.470 0.007 0.000 0.227 131 S C 1.704 176.312 174.600 0.014 0.000 0.986 131 S CA 0.550 58.756 58.200 0.010 0.000 0.929 131 S CB 0.444 63.625 63.200 -0.032 0.000 0.769 131 S HN 0.314 nan 8.310 nan 0.000 0.529 132 K N 0.981 121.392 120.400 0.017 0.000 2.078 132 K HA 0.115 4.439 4.320 0.007 0.000 0.203 132 K C 1.744 178.390 176.600 0.077 0.000 1.043 132 K CA 0.770 57.073 56.287 0.027 0.000 0.960 132 K CB -0.004 32.499 32.500 0.005 0.000 0.761 132 K HN -0.015 nan 8.250 nan 0.000 0.448 133 K N 0.724 121.161 120.400 0.062 0.000 2.296 133 K HA 0.012 4.336 4.320 0.007 0.000 0.200 133 K C 1.856 178.506 176.600 0.083 0.000 1.048 133 K CA 0.611 56.936 56.287 0.064 0.000 0.966 133 K CB 0.060 32.587 32.500 0.045 0.000 0.754 133 K HN 0.017 nan 8.250 nan 0.000 0.466 134 R N -0.422 120.138 120.500 0.100 0.000 2.066 134 R HA -0.073 4.272 4.340 0.007 0.000 0.232 134 R C 1.876 178.269 176.300 0.155 0.000 1.131 134 R CA 1.352 57.520 56.100 0.113 0.000 0.955 134 R CB -0.275 30.094 30.300 0.114 0.000 0.851 134 R HN 0.216 nan 8.270 nan 0.000 0.432 135 F N 0.805 120.778 119.950 0.039 0.000 2.293 135 F HA -0.015 4.517 4.527 0.007 0.000 0.300 135 F C 1.854 177.697 175.800 0.072 0.000 1.086 135 F CA 1.183 59.218 58.000 0.059 0.000 1.375 135 F CB -0.049 38.955 39.000 0.007 0.000 1.045 135 F HN 0.075 nan 8.300 nan 0.000 0.516 136 A N -0.368 122.495 122.820 0.072 0.000 2.119 136 A HA 0.237 4.562 4.320 0.007 0.000 0.216 136 A C 2.234 179.841 177.584 0.038 0.000 1.152 136 A CA 1.017 53.047 52.037 -0.012 0.000 0.708 136 A CB -1.033 17.980 19.000 0.021 0.000 0.805 136 A HN 0.410 nan 8.150 nan 0.000 0.460 137 A N 0.208 123.057 122.820 0.048 0.000 1.861 137 A HA 0.121 4.445 4.320 0.007 0.000 0.212 137 A C 1.995 179.611 177.584 0.053 0.000 1.199 137 A CA 1.119 53.191 52.037 0.058 0.000 0.613 137 A CB -0.504 18.529 19.000 0.054 0.000 0.846 137 A HN 0.400 nan 8.150 nan 0.000 0.446 138 I N -0.797 119.789 120.570 0.028 0.000 2.179 138 I HA -0.281 3.893 4.170 0.007 0.000 0.242 138 I C 2.533 178.653 176.117 0.005 0.000 1.088 138 I CA 1.534 62.841 61.300 0.011 0.000 1.357 138 I CB -0.438 37.570 38.000 0.013 0.000 1.051 138 I HN 0.772 nan 8.210 nan 0.000 0.409 139 W N 2.470 123.611 121.300 -0.265 0.000 2.308 139 W HA -0.272 4.392 4.660 0.007 0.000 0.301 139 W C 2.039 178.478 176.519 -0.133 0.000 1.220 139 W CA 2.233 59.424 57.345 -0.256 0.000 1.240 139 W CB -0.988 28.242 29.460 -0.383 0.000 1.142 139 W HN 0.156 nan 8.180 nan 0.000 0.521 140 T N 1.733 116.347 114.554 0.101 0.000 2.962 140 T HA -0.109 4.245 4.350 0.007 0.000 0.270 140 T C 1.958 176.597 174.700 -0.101 0.000 1.088 140 T CA 1.521 63.627 62.100 0.011 0.000 1.127 140 T CB -0.264 68.672 68.868 0.115 0.000 0.883 140 T HN 0.203 nan 8.240 nan 0.000 0.493 141 L N 0.588 121.757 121.223 -0.089 0.000 2.362 141 L HA 0.163 4.508 4.340 0.007 0.000 0.204 141 L C 2.102 178.905 176.870 -0.112 0.000 1.060 141 L CA 0.346 55.139 54.840 -0.078 0.000 0.827 141 L CB -0.088 41.951 42.059 -0.033 0.000 1.027 141 L HN 0.380 nan 8.230 nan 0.000 0.474 142 C N -0.987 118.234 119.300 -0.132 0.000 2.435 142 C HA 0.215 4.679 4.460 0.007 0.000 0.326 142 C C 1.788 176.654 174.990 -0.206 0.000 1.328 142 C CA -0.691 58.250 59.018 -0.128 0.000 1.741 142 C CB -1.648 26.048 27.740 -0.073 0.000 1.998 142 C HN 0.471 nan 8.230 nan 0.000 0.585 143 K N -0.133 120.086 120.400 -0.302 0.000 2.354 143 K HA 0.107 4.431 4.320 0.007 0.000 0.194 143 K C 1.264 177.707 176.600 -0.261 0.000 1.045 143 K CA 0.777 56.831 56.287 -0.388 0.000 1.026 143 K CB -0.351 31.728 32.500 -0.702 0.000 0.866 143 K HN 0.340 nan 8.250 nan 0.000 0.530 144 T N 1.261 115.699 114.554 -0.193 0.000 2.901 144 T HA 0.038 4.393 4.350 0.007 0.000 0.252 144 T C 0.364 174.999 174.700 -0.108 0.000 1.035 144 T CA 0.491 62.510 62.100 -0.136 0.000 1.142 144 T CB 0.033 68.839 68.868 -0.104 0.000 0.869 144 T HN 0.134 nan 8.240 nan 0.000 0.442 145 K N 1.533 121.876 120.400 -0.095 0.000 2.412 145 K HA 0.249 4.573 4.320 0.007 0.000 0.281 145 K C 0.676 177.232 176.600 -0.073 0.000 1.027 145 K CA 0.086 56.331 56.287 -0.069 0.000 0.989 145 K CB 0.815 33.283 32.500 -0.053 0.000 0.935 145 K HN 0.272 nan 8.250 nan 0.000 0.475 146 M N 1.589 121.153 119.600 -0.059 0.000 2.755 146 M HA -0.015 4.469 4.480 0.007 0.000 0.247 146 M C 0.675 176.959 176.300 -0.026 0.000 1.275 146 M CA 0.252 55.516 55.300 -0.060 0.000 1.252 146 M CB 0.049 32.611 32.600 -0.063 0.000 1.215 146 M HN 0.379 nan 8.290 nan 0.000 0.527 147 V N -0.870 119.039 119.914 -0.008 0.000 2.843 147 V HA -0.045 4.079 4.120 0.007 0.000 0.305 147 V C 1.176 177.275 176.094 0.009 0.000 1.065 147 V CA -0.743 61.566 62.300 0.014 0.000 1.116 147 V CB 0.790 32.622 31.823 0.015 0.000 0.968 147 V HN 0.642 nan 8.190 nan 0.000 0.487 148 C N 2.799 122.112 119.300 0.022 0.000 2.430 148 C HA 0.092 4.557 4.460 0.007 0.000 0.288 148 C C 1.058 176.048 174.990 -0.001 0.000 1.448 148 C CA 0.916 59.943 59.018 0.016 0.000 1.784 148 C CB -2.437 25.321 27.740 0.029 0.000 1.776 148 C HN 1.157 nan 8.230 nan 0.000 0.547 149 E N -1.828 118.369 120.200 -0.005 0.000 7.836 149 E HA -0.135 4.219 4.350 0.007 0.000 0.464 149 E C 0.547 177.133 176.600 -0.024 0.000 0.603 149 E CA 0.394 56.784 56.400 -0.016 0.000 1.065 149 E CB -0.773 28.914 29.700 -0.022 0.000 0.978 149 E HN 0.459 nan 8.360 nan 0.000 0.262 150 T N 1.010 115.547 114.554 -0.028 0.000 2.849 150 T HA 0.056 4.410 4.350 0.007 0.000 0.230 150 T C 0.077 174.749 174.700 -0.047 0.000 1.071 150 T CA 0.640 62.720 62.100 -0.033 0.000 1.559 150 T CB 0.011 68.862 68.868 -0.029 0.000 1.141 150 T HN 0.522 nan 8.240 nan 0.000 0.417 151 D N -0.004 120.365 120.400 -0.052 0.000 2.229 151 D HA 0.380 5.024 4.640 0.007 0.000 0.209 151 D C -1.545 174.719 176.300 -0.061 0.000 1.295 151 D CA -0.016 53.939 54.000 -0.074 0.000 0.913 151 D CB 0.825 41.577 40.800 -0.080 0.000 1.581 151 D HN 0.259 nan 8.370 nan 0.000 0.502 152 V N 2.357 122.236 119.914 -0.058 0.000 3.207 152 V HA -0.116 4.008 4.120 0.007 0.000 0.463 152 V C -2.333 173.698 176.094 -0.104 0.000 0.682 152 V CA -0.884 61.371 62.300 -0.075 0.000 2.002 152 V CB 0.165 31.935 31.823 -0.088 0.000 2.468 152 V HN 0.408 nan 8.190 nan 0.000 0.496 153 P HA 0.344 nan 4.420 nan 0.000 0.275 153 P C 0.416 177.696 177.300 -0.032 0.000 1.228 153 P CA 1.096 64.176 63.100 -0.033 0.000 0.786 153 P CB 1.263 32.966 31.700 0.005 0.000 0.927 154 S N -0.145 115.582 115.700 0.044 0.000 3.447 154 S HA -0.263 4.211 4.470 0.007 0.000 0.371 154 S C 0.294 174.927 174.600 0.055 0.000 0.951 154 S CA 0.926 59.158 58.200 0.054 0.000 1.269 154 S CB -2.166 61.041 63.200 0.012 0.000 0.919 154 S HN 0.802 nan 8.310 nan 0.000 0.516 155 E N 1.295 121.549 120.200 0.089 0.000 2.458 155 E HA 0.061 4.415 4.350 0.007 0.000 0.264 155 E C 0.067 176.710 176.600 0.072 0.000 1.097 155 E CA 0.396 56.840 56.400 0.073 0.000 0.973 155 E CB 0.347 30.090 29.700 0.072 0.000 0.963 155 E HN 0.624 nan 8.360 nan 0.000 0.451 156 D N 3.077 123.504 120.400 0.045 0.000 2.408 156 D HA 0.215 4.859 4.640 0.007 0.000 0.261 156 D C -1.150 175.164 176.300 0.024 0.000 1.190 156 D CA -0.453 53.566 54.000 0.031 0.000 0.910 156 D CB 0.473 41.287 40.800 0.024 0.000 1.097 156 D HN 0.555 nan 8.370 nan 0.000 0.522 157 D N 0.959 121.372 120.400 0.022 0.000 4.734 157 D HA 0.203 4.848 4.640 0.007 0.000 0.349 157 D C -2.109 174.200 176.300 0.015 0.000 1.733 157 D CA -0.562 53.449 54.000 0.018 0.000 0.993 157 D CB -0.813 39.995 40.800 0.014 0.000 1.508 157 D HN 0.162 nan 8.370 nan 0.000 0.671 158 P HA -0.070 nan 4.420 nan 0.000 0.239 158 P C -0.264 177.041 177.300 0.007 0.000 1.161 158 P CA 1.339 64.443 63.100 0.008 0.000 1.095 158 P CB -0.503 31.201 31.700 0.007 0.000 0.616 159 T N -5.141 109.416 114.554 0.005 0.000 2.853 159 T HA 0.589 4.943 4.350 0.007 0.000 0.311 159 T C -1.337 173.364 174.700 0.002 0.000 1.307 159 T CA -0.952 61.150 62.100 0.002 0.000 1.019 159 T CB 1.620 70.488 68.868 -0.000 0.000 1.264 159 T HN 0.085 nan 8.240 nan 0.000 0.497 160 Q N 1.477 121.277 119.800 -0.000 0.000 2.381 160 Q HA 0.746 5.090 4.340 0.007 0.000 0.263 160 Q C -0.421 175.576 176.000 -0.006 0.000 1.030 160 Q CA -0.559 55.241 55.803 -0.004 0.000 0.772 160 Q CB 0.584 29.319 28.738 -0.005 0.000 1.232 160 Q HN 0.786 nan 8.270 nan 0.000 0.476 161 L N 0.070 121.289 121.223 -0.008 0.000 0.598 161 L HA -0.246 4.098 4.340 0.007 0.000 0.356 161 L C 0.162 177.023 176.870 -0.015 0.000 1.008 161 L CA 0.357 55.186 54.840 -0.017 0.000 1.223 161 L CB -1.265 40.778 42.059 -0.027 0.000 0.045 161 L HN 0.427 nan 8.230 nan 0.000 0.093 162 V N -3.794 116.102 119.914 -0.031 0.000 3.703 162 V HA 1.025 5.149 4.120 0.007 0.000 0.306 162 V C -0.083 175.982 176.094 -0.049 0.000 1.407 162 V CA 0.159 62.445 62.300 -0.023 0.000 0.974 162 V CB 1.574 33.403 31.823 0.011 0.000 1.188 162 V HN 1.441 nan 8.190 nan 0.000 0.477 163 S N -0.678 114.997 115.700 -0.041 0.000 2.564 163 S HA 0.800 5.274 4.470 0.007 0.000 0.274 163 S C -0.221 174.353 174.600 -0.043 0.000 1.124 163 S CA -0.144 58.027 58.200 -0.048 0.000 0.869 163 S CB 2.435 65.622 63.200 -0.021 0.000 1.105 163 S HN 1.331 nan 8.310 nan 0.000 0.472 164 R N 0.816 121.287 120.500 -0.048 0.000 2.851 164 R HA 0.601 4.945 4.340 0.007 0.000 0.177 164 R C 0.689 176.987 176.300 -0.003 0.000 0.888 164 R CA 0.038 56.133 56.100 -0.009 0.000 1.326 164 R CB -0.095 30.190 30.300 -0.026 0.000 1.668 164 R HN 1.873 nan 8.270 nan 0.000 0.575 165 G N -0.143 108.644 108.800 -0.022 0.000 2.742 165 G HA2 0.390 4.354 3.960 0.007 0.000 0.686 165 G HA3 0.390 4.354 3.960 0.007 0.000 0.686 165 G C -0.183 174.705 174.900 -0.019 0.000 1.220 165 G CA -0.318 44.772 45.100 -0.018 0.000 0.783 165 G HN 1.017 nan 8.290 nan 0.000 0.646 166 G N -1.270 107.516 108.800 -0.022 0.000 2.321 166 G HA2 0.596 4.560 3.960 0.007 0.000 0.339 166 G HA3 0.596 4.560 3.960 0.007 0.000 0.339 166 G C -0.019 174.866 174.900 -0.026 0.000 1.518 166 G CA 0.346 45.435 45.100 -0.019 0.000 0.994 166 G HN 2.675 nan 8.290 nan 0.000 0.668 167 C N 0.552 119.836 119.300 -0.026 0.000 2.298 167 C HA 0.841 5.305 4.460 0.007 0.000 0.323 167 C C 1.198 176.169 174.990 -0.031 0.000 1.284 167 C CA -0.095 58.896 59.018 -0.046 0.000 1.577 167 C CB 0.712 28.399 27.740 -0.088 0.000 2.249 167 C HN 1.969 nan 8.230 nan 0.000 0.497 168 G N 4.759 113.542 108.800 -0.029 0.000 2.852 168 G HA2 0.189 4.154 3.960 0.007 0.000 0.280 168 G HA3 0.189 4.154 3.960 0.007 0.000 0.280 168 G C -0.001 174.902 174.900 0.005 0.000 0.731 168 G CA -0.061 45.034 45.100 -0.008 0.000 2.037 168 G HN 0.853 nan 8.290 nan 0.000 0.560 169 N N 0.553 119.275 118.700 0.036 0.000 2.466 169 N HA 0.324 5.068 4.740 0.007 0.000 0.294 169 N C 0.282 175.882 175.510 0.151 0.000 1.129 169 N CA -0.186 52.921 53.050 0.096 0.000 0.931 169 N CB 1.466 40.039 38.487 0.143 0.000 1.193 169 N HN 0.174 nan 8.380 nan 0.000 0.500 170 T N 0.793 115.475 114.554 0.214 0.000 2.913 170 T HA 0.095 4.449 4.350 0.007 0.000 0.297 170 T C 0.384 175.205 174.700 0.200 0.000 1.029 170 T CA -0.233 61.987 62.100 0.200 0.000 1.104 170 T CB 0.983 69.996 68.868 0.243 0.000 0.964 170 T HN 0.326 nan 8.240 nan 0.000 0.532 171 Q N 2.776 122.568 119.800 -0.013 0.000 2.307 171 Q HA 0.339 4.683 4.340 0.007 0.000 0.262 171 Q C -2.378 173.361 176.000 -0.435 0.000 0.961 171 Q CA -2.394 53.320 55.803 -0.148 0.000 0.882 171 Q CB 1.358 30.046 28.738 -0.083 0.000 1.264 171 Q HN 0.377 nan 8.270 nan 0.000 0.446 172 P HA 0.054 nan 4.420 nan 0.000 0.273 172 P C -0.900 176.105 177.300 -0.491 0.000 1.250 172 P CA -0.254 62.237 63.100 -1.015 0.000 0.793 172 P CB 0.621 31.419 31.700 -1.503 0.000 1.011 173 T N 1.828 116.155 114.554 -0.379 0.000 2.875 173 T HA 0.365 4.719 4.350 0.007 0.000 0.307 173 T C 0.648 175.243 174.700 -0.175 0.000 1.013 173 T CA -0.237 61.732 62.100 -0.219 0.000 0.970 173 T CB -0.872 67.905 68.868 -0.152 0.000 0.986 173 T HN 0.188 nan 8.240 nan 0.000 0.536 174 I N 2.950 123.434 120.570 -0.143 0.000 2.575 174 I HA 0.393 4.568 4.170 0.007 0.000 0.285 174 I C 0.812 176.912 176.117 -0.028 0.000 1.085 174 I CA -0.335 60.918 61.300 -0.079 0.000 1.403 174 I CB 0.621 38.598 38.000 -0.038 0.000 1.409 174 I HN 0.346 nan 8.210 nan 0.000 0.557 175 R N 4.040 124.534 120.500 -0.010 0.000 2.867 175 R HA 0.421 4.765 4.340 0.007 0.000 0.268 175 R C -0.969 175.339 176.300 0.014 0.000 1.014 175 R CA -1.018 55.087 56.100 0.008 0.000 0.946 175 R CB 1.803 32.104 30.300 0.002 0.000 1.208 175 R HN 0.513 nan 8.270 nan 0.000 0.477 176 K N 1.654 122.065 120.400 0.019 0.000 2.262 176 K HA 0.123 4.447 4.320 0.007 0.000 0.282 176 K C -1.380 175.221 176.600 0.001 0.000 1.066 176 K CA -0.198 56.093 56.287 0.008 0.000 0.901 176 K CB 0.888 33.399 32.500 0.019 0.000 1.089 176 K HN 0.412 nan 8.250 nan 0.000 0.476 177 D N 3.667 124.059 120.400 -0.014 0.000 2.404 177 D HA 0.288 4.932 4.640 0.007 0.000 0.267 177 D C 0.784 177.074 176.300 -0.018 0.000 1.194 177 D CA 0.661 54.657 54.000 -0.008 0.000 0.910 177 D CB 0.686 41.486 40.800 -0.000 0.000 1.090 177 D HN 0.796 nan 8.370 nan 0.000 0.511 178 G N 2.628 111.425 108.800 -0.005 0.000 5.001 178 G HA2 -0.364 3.600 3.960 0.007 0.000 0.306 178 G HA3 -0.364 3.600 3.960 0.007 0.000 0.306 178 G C 0.870 175.757 174.900 -0.021 0.000 1.491 178 G CA 1.079 46.183 45.100 0.006 0.000 1.324 178 G HN 0.520 nan 8.290 nan 0.000 0.829 179 L N -0.698 120.489 121.223 -0.061 0.000 3.227 179 L HA 0.406 4.750 4.340 0.007 0.000 0.287 179 L C 0.863 177.492 176.870 -0.402 0.000 1.161 179 L CA -0.167 54.576 54.840 -0.163 0.000 1.048 179 L CB 0.576 42.609 42.059 -0.043 0.000 1.541 179 L HN 0.103 nan 8.230 nan 0.000 0.590 180 K N 1.177 121.435 120.400 -0.237 0.000 2.087 180 K HA 0.613 4.937 4.320 0.007 0.000 0.255 180 K C -0.815 175.688 176.600 -0.161 0.000 0.988 180 K CA -0.033 56.114 56.287 -0.233 0.000 0.915 180 K CB 1.297 33.770 32.500 -0.044 0.000 1.043 180 K HN -0.071 nan 8.250 nan 0.000 0.457 181 L N 2.444 123.610 121.223 -0.095 0.000 2.316 181 L HA 0.465 4.809 4.340 0.007 0.000 0.280 181 L C -1.226 175.674 176.870 0.049 0.000 1.006 181 L CA -0.999 53.834 54.840 -0.011 0.000 0.836 181 L CB 1.421 43.492 42.059 0.020 0.000 1.221 181 L HN 0.240 nan 8.230 nan 0.000 0.418 182 V N 1.704 121.642 119.914 0.040 0.000 2.604 182 V HA 0.879 5.003 4.120 0.007 0.000 0.305 182 V C 0.333 176.442 176.094 0.025 0.000 1.043 182 V CA -0.490 61.852 62.300 0.071 0.000 0.888 182 V CB 1.728 33.596 31.823 0.076 0.000 0.995 182 V HN 0.804 nan 8.190 nan 0.000 0.429 183 G N 1.263 110.072 108.800 0.015 0.000 2.730 183 G HA2 0.652 4.616 3.960 0.007 0.000 0.289 183 G HA3 0.652 4.616 3.960 0.007 0.000 0.289 183 G C -1.264 173.585 174.900 -0.085 0.000 1.341 183 G CA -0.598 44.412 45.100 -0.149 0.000 0.932 183 G HN 0.705 nan 8.290 nan 0.000 0.481 184 S N -0.983 114.612 115.700 -0.176 0.000 2.482 184 S HA 0.575 5.049 4.470 0.007 0.000 0.303 184 S C -0.012 174.530 174.600 -0.097 0.000 1.091 184 S CA -0.786 57.419 58.200 0.009 0.000 1.057 184 S CB 0.877 64.084 63.200 0.012 0.000 1.031 184 S HN 0.598 nan 8.310 nan 0.000 0.485 185 W N 2.641 123.945 121.300 0.006 0.000 3.305 185 W HA 0.288 4.952 4.660 0.007 0.000 0.252 185 W C 0.471 176.992 176.519 0.004 0.000 0.929 185 W CA -0.192 57.157 57.345 0.007 0.000 2.186 185 W CB -0.515 28.953 29.460 0.013 0.000 1.174 185 W HN 0.693 nan 8.180 nan 0.000 0.589 200 R N 1.013 121.593 120.500 0.133 0.000 2.449 200 R HA 0.445 4.789 4.340 0.007 0.000 0.296 200 R C -1.298 175.137 176.300 0.225 0.000 1.047 200 R CA -0.165 56.000 56.100 0.107 0.000 1.018 200 R CB 0.606 30.842 30.300 -0.108 0.000 0.962 200 R HN 0.357 nan 8.270 nan 0.000 0.428 201 V N 6.225 126.234 119.914 0.160 0.000 2.435 201 V HA 0.214 4.338 4.120 0.007 0.000 0.290 201 V C 0.008 176.208 176.094 0.177 0.000 1.030 201 V CA -1.003 61.397 62.300 0.166 0.000 0.881 201 V CB 1.653 33.557 31.823 0.135 0.000 0.983 201 V HN 0.600 nan 8.190 nan 0.000 0.445 202 L N 4.257 125.597 121.223 0.195 0.000 2.433 202 L HA 0.278 4.622 4.340 0.007 0.000 0.284 202 L C 0.858 177.879 176.870 0.251 0.000 1.120 202 L CA 0.750 55.712 54.840 0.203 0.000 0.879 202 L CB -0.104 42.074 42.059 0.198 0.000 1.232 202 L HN 0.725 nan 8.230 nan 0.000 0.454 203 S N 1.801 117.620 115.700 0.198 0.000 2.589 203 S HA 0.146 4.620 4.470 0.007 0.000 0.265 203 S C 1.486 176.182 174.600 0.160 0.000 1.342 203 S CA -0.322 57.996 58.200 0.197 0.000 1.005 203 S CB 0.886 64.151 63.200 0.108 0.000 0.909 203 S HN 0.705 nan 8.310 nan 0.000 0.555 204 T N 1.165 115.715 114.554 -0.005 0.000 2.857 204 T HA -0.053 4.301 4.350 0.007 0.000 0.266 204 T C 1.506 176.145 174.700 -0.101 0.000 1.048 204 T CA 0.852 62.786 62.100 -0.276 0.000 1.139 204 T CB -0.220 68.242 68.868 -0.676 0.000 0.874 204 T HN 0.586 nan 8.240 nan 0.000 0.455 205 E N 0.632 120.801 120.200 -0.050 0.000 2.204 205 E HA -0.142 4.212 4.350 0.007 0.000 0.195 205 E C 2.347 178.943 176.600 -0.007 0.000 0.990 205 E CA 0.613 57.002 56.400 -0.019 0.000 0.821 205 E CB 0.007 29.704 29.700 -0.004 0.000 0.750 205 E HN 0.396 nan 8.360 nan 0.000 0.477 206 E N 0.577 120.781 120.200 0.007 0.000 2.152 206 E HA -0.135 4.219 4.350 0.007 0.000 0.192 206 E C 2.136 178.712 176.600 -0.040 0.000 0.983 206 E CA 0.740 57.138 56.400 -0.004 0.000 0.818 206 E CB 0.131 29.846 29.700 0.025 0.000 0.758 206 E HN 0.413 nan 8.360 nan 0.000 0.467 207 I N -2.075 118.487 120.570 -0.014 0.000 2.703 207 I HA -0.034 4.140 4.170 0.007 0.000 0.259 207 I C 2.580 178.642 176.117 -0.092 0.000 1.151 207 I CA 0.183 61.438 61.300 -0.074 0.000 1.470 207 I CB -0.429 37.637 38.000 0.110 0.000 1.112 207 I HN -0.059 nan 8.210 nan 0.000 0.437 208 L N 1.844 123.086 121.223 0.031 0.000 2.043 208 L HA -0.251 4.093 4.340 0.007 0.000 0.212 208 L C 2.407 179.286 176.870 0.015 0.000 1.075 208 L CA 2.084 56.974 54.840 0.084 0.000 0.752 208 L CB -0.490 41.603 42.059 0.057 0.000 0.891 208 L HN 0.419 nan 8.230 nan 0.000 0.432 209 N N -0.038 118.641 118.700 -0.036 0.000 2.381 209 N HA -0.170 4.574 4.740 0.007 0.000 0.182 209 N C 1.550 177.021 175.510 -0.065 0.000 1.025 209 N CA 0.991 54.020 53.050 -0.035 0.000 0.888 209 N CB -0.003 38.475 38.487 -0.015 0.000 0.965 209 N HN 0.270 nan 8.380 nan 0.000 0.438 210 I N -0.477 119.962 120.570 -0.219 0.000 2.439 210 I HA -0.115 4.059 4.170 0.007 0.000 0.251 210 I C 0.894 176.798 176.117 -0.355 0.000 1.139 210 I CA 0.865 61.948 61.300 -0.362 0.000 1.438 210 I CB -0.993 36.630 38.000 -0.628 0.000 1.085 210 I HN 0.051 nan 8.210 nan 0.000 0.427 211 F N 0.907 120.834 119.950 -0.038 0.000 2.714 211 F HA 0.163 4.694 4.527 0.007 0.000 0.294 211 F C 2.295 178.056 175.800 -0.065 0.000 1.120 211 F CA 0.039 57.984 58.000 -0.093 0.000 1.398 211 F CB -0.679 38.248 39.000 -0.121 0.000 1.120 211 F HN -0.076 nan 8.300 nan 0.000 0.589 212 K N -0.430 120.014 120.400 0.074 0.000 2.103 212 K HA -0.145 4.179 4.320 0.007 0.000 0.207 212 K C 1.408 177.943 176.600 -0.107 0.000 1.048 212 K CA 1.137 57.405 56.287 -0.031 0.000 0.930 212 K CB -0.111 32.332 32.500 -0.095 0.000 0.716 212 K HN 0.298 nan 8.250 nan 0.000 0.444 213 H N -0.284 118.806 119.070 0.033 0.000 3.354 213 H HA 0.146 4.706 4.556 0.007 0.000 0.115 213 H C 0.658 175.993 175.328 0.012 0.000 1.539 213 H CA 0.072 56.135 56.048 0.025 0.000 1.601 213 H CB 0.123 29.883 29.762 -0.004 0.000 0.985 213 H HN -0.119 nan 8.280 nan 0.000 0.742 214 I N 0.948 121.584 120.570 0.109 0.000 8.587 214 I HA -0.239 3.935 4.170 0.007 0.000 0.126 214 I C 0.620 176.692 176.117 -0.076 0.000 1.857 214 I CA 0.081 61.331 61.300 -0.085 0.000 2.041 214 I CB -0.872 36.961 38.000 -0.280 0.000 3.855 214 I HN 0.471 nan 8.210 nan 0.000 0.170 215 S N 4.375 120.042 115.700 -0.055 0.000 2.576 215 S HA 0.276 4.750 4.470 0.007 0.000 0.272 215 S C 1.394 176.055 174.600 0.102 0.000 1.352 215 S CA 0.015 58.236 58.200 0.035 0.000 1.021 215 S CB 1.234 64.450 63.200 0.027 0.000 0.887 215 S HN 0.358 nan 8.310 nan 0.000 0.542 216 V N 4.493 124.532 119.914 0.208 0.000 2.407 216 V HA -0.101 4.023 4.120 0.007 0.000 0.248 216 V C 2.049 178.311 176.094 0.280 0.000 1.055 216 V CA 1.685 64.179 62.300 0.323 0.000 1.049 216 V CB -0.620 31.307 31.823 0.173 0.000 0.662 216 V HN 0.788 nan 8.190 nan 0.000 0.455 217 K N -0.055 120.437 120.400 0.153 0.000 2.505 217 K HA -0.010 4.315 4.320 0.007 0.000 0.192 217 K C 0.997 177.652 176.600 0.092 0.000 1.025 217 K CA 0.407 56.766 56.287 0.120 0.000 1.086 217 K CB 0.011 32.560 32.500 0.083 0.000 0.840 217 K HN 0.467 nan 8.250 nan 0.000 0.514 218 D N -0.216 120.206 120.400 0.035 0.000 2.301 218 D HA -0.014 4.630 4.640 0.007 0.000 0.206 218 D C 1.265 177.513 176.300 -0.088 0.000 0.979 218 D CA 0.637 54.597 54.000 -0.066 0.000 0.874 218 D CB 0.049 40.734 40.800 -0.191 0.000 0.968 218 D HN 0.034 nan 8.370 nan 0.000 0.510 219 F N 1.555 121.524 119.950 0.031 0.000 2.022 219 F HA -0.138 4.394 4.527 0.007 0.000 0.293 219 F C 2.618 178.528 175.800 0.184 0.000 1.142 219 F CA 1.233 59.255 58.000 0.037 0.000 1.177 219 F CB -1.220 37.765 39.000 -0.026 0.000 0.982 219 F HN -0.128 nan 8.300 nan 0.000 0.473 220 T N -0.156 114.606 114.554 0.347 0.000 2.737 220 T HA -0.238 4.116 4.350 0.007 0.000 0.269 220 T C 2.181 177.004 174.700 0.206 0.000 1.040 220 T CA 1.640 63.886 62.100 0.242 0.000 1.142 220 T CB -0.841 68.131 68.868 0.173 0.000 0.861 220 T HN 0.401 nan 8.240 nan 0.000 0.456 221 S N 1.786 117.600 115.700 0.191 0.000 2.402 221 S HA -0.085 4.390 4.470 0.007 0.000 0.233 221 S C 0.582 175.310 174.600 0.214 0.000 1.030 221 S CA 0.571 58.870 58.200 0.165 0.000 1.003 221 S CB -0.807 62.473 63.200 0.133 0.000 0.813 221 S HN 0.514 nan 8.310 nan 0.000 0.477 222 L N -0.701 120.704 121.223 0.304 0.000 2.415 222 L HA 0.808 5.152 4.340 0.007 0.000 0.268 222 L C 0.484 177.503 176.870 0.248 0.000 0.984 222 L CA -0.495 54.582 54.840 0.394 0.000 0.853 222 L CB 0.386 42.816 42.059 0.618 0.000 1.215 222 L HN 0.077 nan 8.230 nan 0.000 0.419 223 G N 1.651 110.455 108.800 0.006 0.000 2.020 223 G HA2 -0.195 3.769 3.960 0.007 0.000 0.237 223 G HA3 -0.195 3.769 3.960 0.007 0.000 0.237 223 G C -0.417 174.082 174.900 -0.667 0.000 0.652 223 G CA 0.937 45.863 45.100 -0.291 0.000 1.014 223 G HN 0.439 nan 8.290 nan 0.000 0.383 224 F N -0.693 119.280 119.950 0.039 0.000 2.869 224 F HA 0.612 5.143 4.527 0.007 0.000 0.325 224 F C 0.047 175.893 175.800 0.077 0.000 1.184 224 F CA -1.263 56.769 58.000 0.054 0.000 0.951 224 F CB 1.909 40.976 39.000 0.112 0.000 1.421 224 F HN 0.206 nan 8.300 nan 0.000 0.501 225 N N -0.274 118.604 118.700 0.295 0.000 2.324 225 N HA 0.188 4.932 4.740 0.007 0.000 0.285 225 N C 0.113 175.618 175.510 -0.008 0.000 1.076 225 N CA -0.396 52.762 53.050 0.180 0.000 0.864 225 N CB 2.057 40.712 38.487 0.279 0.000 1.632 225 N HN 0.718 nan 8.380 nan 0.000 0.478 226 E N 1.329 121.488 120.200 -0.069 0.000 2.070 226 E HA -0.185 4.169 4.350 0.007 0.000 0.197 226 E C 0.700 177.162 176.600 -0.231 0.000 1.004 226 E CA 1.758 58.004 56.400 -0.258 0.000 0.805 226 E CB 0.250 29.872 29.700 -0.129 0.000 0.744 226 E HN 0.465 nan 8.360 nan 0.000 0.451 227 V N -0.626 119.228 119.914 -0.100 0.000 2.922 227 V HA -0.039 4.085 4.120 0.007 0.000 0.242 227 V C 1.686 177.745 176.094 -0.058 0.000 1.094 227 V CA 0.755 62.964 62.300 -0.151 0.000 1.106 227 V CB -0.345 31.254 31.823 -0.373 0.000 0.799 227 V HN 0.173 nan 8.190 nan 0.000 0.474 228 F N 1.581 121.613 119.950 0.137 0.000 2.147 228 F HA 0.139 4.670 4.527 0.007 0.000 0.291 228 F C 1.256 177.235 175.800 0.299 0.000 1.093 228 F CA 0.988 59.078 58.000 0.149 0.000 1.263 228 F CB -0.088 38.952 39.000 0.067 0.000 1.036 228 F HN 0.208 nan 8.300 nan 0.000 0.481 229 S N -0.035 115.936 115.700 0.451 0.000 2.677 229 S HA 0.702 5.176 4.470 0.007 0.000 0.283 229 S C -0.807 173.886 174.600 0.155 0.000 1.159 229 S CA -0.957 57.483 58.200 0.399 0.000 1.001 229 S CB 2.236 65.613 63.200 0.296 0.000 1.032 229 S HN 0.103 nan 8.310 nan 0.000 0.487 230 R N 2.016 122.424 120.500 -0.152 0.000 2.740 230 R HA 0.488 4.832 4.340 0.007 0.000 0.282 230 R C -2.343 173.691 176.300 -0.444 0.000 0.969 230 R CA -2.474 53.293 56.100 -0.554 0.000 0.918 230 R CB 1.658 31.140 30.300 -1.363 0.000 1.175 230 R HN 0.309 nan 8.270 nan 0.000 0.464 231 P HA -0.194 nan 4.420 nan 0.000 0.220 231 P C 0.596 177.591 177.300 -0.508 0.000 1.148 231 P CA 1.107 63.717 63.100 -0.816 0.000 0.803 231 P CB 0.175 30.946 31.700 -1.549 0.000 0.782 232 E N -1.660 118.348 120.200 -0.320 0.000 2.409 232 E HA -0.152 4.202 4.350 0.007 0.000 0.198 232 E C 0.890 177.531 176.600 0.068 0.000 1.024 232 E CA 0.652 57.014 56.400 -0.064 0.000 0.861 232 E CB -0.655 28.997 29.700 -0.079 0.000 0.788 232 E HN 0.288 nan 8.360 nan 0.000 0.521 233 W N 0.278 121.551 121.300 -0.046 0.000 2.907 233 W HA 0.350 5.014 4.660 0.007 0.000 0.271 233 W C 1.925 178.393 176.519 -0.085 0.000 1.253 233 W CA -0.611 56.714 57.345 -0.034 0.000 1.501 233 W CB -0.500 28.942 29.460 -0.031 0.000 1.047 233 W HN 0.090 nan 8.180 nan 0.000 0.610 234 M N 0.870 120.470 119.600 -0.000 0.000 2.080 234 M HA -0.137 4.347 4.480 0.007 0.000 0.260 234 M C 0.434 176.707 176.300 -0.046 0.000 1.068 234 M CA 1.654 56.821 55.300 -0.222 0.000 1.109 234 M CB -0.325 32.074 32.600 -0.335 0.000 1.342 234 M HN -0.238 nan 8.290 nan 0.000 0.405 235 I N 0.410 121.022 120.570 0.070 0.000 2.519 235 I HA 0.211 4.386 4.170 0.007 0.000 0.287 235 I C -0.830 175.371 176.117 0.141 0.000 1.047 235 I CA -0.342 61.046 61.300 0.147 0.000 1.381 235 I CB 0.213 38.294 38.000 0.134 0.000 1.417 235 I HN 0.032 nan 8.210 nan 0.000 0.540 236 L N 5.902 127.211 121.223 0.142 0.000 2.268 236 L HA 0.335 4.679 4.340 0.007 0.000 0.289 236 L C 1.056 177.984 176.870 0.095 0.000 1.064 236 L CA -0.227 54.701 54.840 0.147 0.000 0.824 236 L CB 0.615 42.784 42.059 0.183 0.000 1.202 236 L HN 0.827 nan 8.230 nan 0.000 0.433 237 T N 0.296 114.914 114.554 0.108 0.000 2.668 237 T HA -0.113 4.241 4.350 0.007 0.000 0.258 237 T C 0.543 175.284 174.700 0.068 0.000 1.051 237 T CA 0.684 62.833 62.100 0.082 0.000 1.155 237 T CB 0.063 68.992 68.868 0.103 0.000 0.864 237 T HN 0.593 nan 8.240 nan 0.000 0.413 238 C N 2.224 121.570 119.300 0.076 0.000 2.346 238 C HA 0.734 5.199 4.460 0.007 0.000 0.326 238 C C -0.563 174.470 174.990 0.072 0.000 1.224 238 C CA -1.507 57.555 59.018 0.075 0.000 1.408 238 C CB -0.642 27.152 27.740 0.090 0.000 2.089 238 C HN 0.512 nan 8.230 nan 0.000 0.456 239 L N 9.750 131.010 121.223 0.061 0.000 2.290 239 L HA 0.561 4.905 4.340 0.007 0.000 0.284 239 L C -1.955 174.950 176.870 0.058 0.000 1.078 239 L CA -1.145 53.730 54.840 0.058 0.000 0.815 239 L CB 0.945 43.026 42.059 0.037 0.000 1.162 239 L HN 0.505 nan 8.230 nan 0.000 0.435 240 P HA 0.065 nan 4.420 nan 0.000 0.271 240 P C -1.188 176.194 177.300 0.136 0.000 1.218 240 P CA -0.127 63.066 63.100 0.156 0.000 0.780 240 P CB 0.990 32.749 31.700 0.098 0.000 0.901 241 V N 4.765 124.735 119.914 0.093 0.000 2.347 241 V HA 0.283 4.407 4.120 0.007 0.000 0.280 241 V C -1.901 173.835 176.094 -0.597 0.000 1.021 241 V CA -2.204 60.002 62.300 -0.156 0.000 0.847 241 V CB 1.129 32.881 31.823 -0.118 0.000 0.990 241 V HN 0.544 nan 8.190 nan 0.000 0.444 242 P HA 0.292 nan 4.420 nan 0.000 0.275 242 P C -2.618 174.369 177.300 -0.522 0.000 1.228 242 P CA -1.458 61.176 63.100 -0.777 0.000 0.786 242 P CB 0.582 32.123 31.700 -0.266 0.000 0.927 243 P HA 0.254 nan 4.420 nan 0.000 0.277 243 P C -2.136 175.070 177.300 -0.156 0.000 1.271 243 P CA -1.816 61.129 63.100 -0.260 0.000 0.795 243 P CB -0.438 31.157 31.700 -0.175 0.000 1.101 244 P HA -0.014 nan 4.420 nan 0.000 0.216 244 P C -1.359 175.909 177.300 -0.054 0.000 1.153 244 P CA 2.268 65.319 63.100 -0.083 0.000 0.848 244 P CB -1.871 29.781 31.700 -0.080 0.000 0.787 245 P HA -0.060 nan 4.420 nan 0.000 0.234 245 P C 0.674 177.968 177.300 -0.010 0.000 1.162 245 P CA 0.982 64.071 63.100 -0.018 0.000 0.759 245 P CB -0.420 31.277 31.700 -0.004 0.000 0.813 246 V N -0.863 119.037 119.914 -0.024 0.000 3.661 246 V HA 0.108 4.232 4.120 0.007 0.000 0.271 246 V C 0.999 177.089 176.094 -0.007 0.000 1.315 246 V CA 0.363 62.655 62.300 -0.013 0.000 1.072 246 V CB -0.620 31.189 31.823 -0.024 0.000 0.830 246 V HN 0.233 nan 8.190 nan 0.000 0.443 247 R N 0.660 121.152 120.500 -0.013 0.000 2.928 247 R HA 0.350 4.694 4.340 0.007 0.000 0.248 247 R C -3.202 173.095 176.300 -0.006 0.000 1.796 247 R CA -1.144 54.957 56.100 0.001 0.000 1.477 247 R CB 0.377 30.681 30.300 0.007 0.000 1.484 247 R HN 0.120 nan 8.270 nan 0.000 0.623 248 P HA 0.132 nan 4.420 nan 0.000 0.285 248 P C -0.281 177.019 177.300 0.000 0.000 1.282 248 P CA -0.143 62.956 63.100 -0.003 0.000 0.778 248 P CB 0.884 32.587 31.700 0.005 0.000 1.222 249 S N -1.022 114.675 115.700 -0.005 0.000 4.355 249 S HA 0.358 4.832 4.470 0.007 0.000 0.201 249 S C 1.058 175.655 174.600 -0.006 0.000 1.044 249 S CA -0.517 57.675 58.200 -0.013 0.000 1.777 249 S CB -0.774 62.407 63.200 -0.032 0.000 0.797 249 S HN 0.620 nan 8.310 nan 0.000 0.774 250 I N 0.660 121.215 120.570 -0.024 0.000 3.363 250 I HA 0.347 4.521 4.170 0.007 0.000 0.234 250 I C 0.811 176.917 176.117 -0.019 0.000 1.263 250 I CA -0.006 61.265 61.300 -0.047 0.000 0.921 250 I CB 0.241 38.198 38.000 -0.071 0.000 1.614 250 I HN 0.691 nan 8.210 nan 0.000 0.879 251 S N 0.092 115.764 115.700 -0.047 0.000 4.736 251 S HA 0.258 4.732 4.470 0.007 0.000 0.170 251 S C 0.177 174.865 174.600 0.147 0.000 1.074 251 S CA 0.025 58.267 58.200 0.069 0.000 1.250 251 S CB 0.121 63.402 63.200 0.136 0.000 1.772 251 S HN 0.943 nan 8.310 nan 0.000 0.633 252 F N 2.432 122.387 119.950 0.008 0.000 2.470 252 F HA 0.636 5.167 4.527 0.007 0.000 0.383 252 F C -0.065 175.738 175.800 0.005 0.000 1.510 252 F CA -0.670 57.333 58.000 0.005 0.000 1.085 252 F CB -0.061 38.942 39.000 0.005 0.000 1.466 252 F HN 0.372 nan 8.300 nan 0.000 0.517 253 N N -0.631 117.983 118.700 -0.144 0.000 2.801 253 N HA -0.008 4.736 4.740 0.007 0.000 0.280 253 N C 0.191 175.658 175.510 -0.071 0.000 0.835 253 N CA 0.323 53.286 53.050 -0.145 0.000 1.145 253 N CB -0.034 38.281 38.487 -0.287 0.000 1.516 253 N HN 0.092 nan 8.380 nan 0.000 1.122 254 E N 0.849 121.001 120.200 -0.080 0.000 2.403 254 E HA -0.166 4.188 4.350 0.007 0.000 0.241 254 E C -0.370 176.198 176.600 -0.052 0.000 1.201 254 E CA 1.246 57.613 56.400 -0.055 0.000 0.721 254 E CB -1.931 27.751 29.700 -0.030 0.000 1.245 254 E HN 0.773 nan 8.360 nan 0.000 0.392 255 S N -2.926 112.732 115.700 -0.071 0.000 2.474 255 S HA 0.117 4.592 4.470 0.007 0.000 0.223 255 S C 0.387 174.945 174.600 -0.070 0.000 0.880 255 S CA -0.305 57.860 58.200 -0.058 0.000 1.579 255 S CB 0.289 63.466 63.200 -0.039 0.000 1.264 255 S HN 0.050 nan 8.310 nan 0.000 0.616 256 Q N 1.668 121.404 119.800 -0.106 0.000 2.409 256 Q HA 0.525 4.869 4.340 0.007 0.000 0.345 256 Q C 0.329 176.240 176.000 -0.149 0.000 0.847 256 Q CA -0.230 55.503 55.803 -0.117 0.000 1.092 256 Q CB 0.291 28.957 28.738 -0.121 0.000 1.377 256 Q HN 0.439 nan 8.270 nan 0.000 0.399 257 R N -0.298 120.131 120.500 -0.118 0.000 3.707 257 R HA -0.272 4.072 4.340 0.007 0.000 0.504 257 R C 0.120 176.343 176.300 -0.129 0.000 0.241 257 R CA 1.727 57.764 56.100 -0.105 0.000 1.576 257 R CB -1.523 28.732 30.300 -0.074 0.000 0.924 257 R HN 0.798 nan 8.270 nan 0.000 0.597 258 G N 1.648 110.402 108.800 -0.077 0.000 2.970 258 G HA2 -0.165 3.800 3.960 0.007 0.000 0.249 258 G HA3 -0.165 3.800 3.960 0.007 0.000 0.249 258 G C -0.380 174.531 174.900 0.017 0.000 1.113 258 G CA 0.336 45.411 45.100 -0.042 0.000 1.119 258 G HN 0.570 nan 8.290 nan 0.000 0.552 259 E N -0.420 119.815 120.200 0.058 0.000 2.620 259 E HA 0.404 4.759 4.350 0.007 0.000 0.255 259 E C 1.035 177.727 176.600 0.154 0.000 1.346 259 E CA -0.287 56.139 56.400 0.043 0.000 1.013 259 E CB 0.736 30.386 29.700 -0.084 0.000 1.131 259 E HN 0.299 nan 8.360 nan 0.000 0.608 260 D N -0.900 119.570 120.400 0.116 0.000 2.018 260 D HA -0.034 4.610 4.640 0.007 0.000 0.296 260 D C 0.071 176.552 176.300 0.302 0.000 1.100 260 D CA 0.506 54.597 54.000 0.152 0.000 0.986 260 D CB 0.378 41.228 40.800 0.083 0.000 1.127 260 D HN 0.383 nan 8.370 nan 0.000 0.421 261 D N -1.298 119.252 120.400 0.250 0.000 2.116 261 D HA 0.074 4.718 4.640 0.007 0.000 0.347 261 D C 1.833 178.276 176.300 0.238 0.000 1.045 261 D CA -0.029 54.144 54.000 0.287 0.000 0.885 261 D CB 0.506 41.381 40.800 0.126 0.000 1.654 261 D HN 0.161 nan 8.370 nan 0.000 0.533 262 L N 1.395 122.715 121.223 0.163 0.000 2.313 262 L HA -0.023 4.322 4.340 0.007 0.000 0.214 262 L C 2.095 179.044 176.870 0.132 0.000 1.119 262 L CA 1.047 55.990 54.840 0.171 0.000 0.809 262 L CB -0.253 41.893 42.059 0.145 0.000 0.933 262 L HN -0.010 nan 8.230 nan 0.000 0.449 263 T N -0.829 113.769 114.554 0.073 0.000 2.904 263 T HA -0.118 4.236 4.350 0.007 0.000 0.267 263 T C 1.580 176.212 174.700 -0.113 0.000 1.059 263 T CA 1.070 63.134 62.100 -0.059 0.000 1.137 263 T CB -0.276 68.510 68.868 -0.137 0.000 0.879 263 T HN 0.101 nan 8.240 nan 0.000 0.467 264 F N 1.343 121.289 119.950 -0.008 0.000 2.186 264 F HA 0.127 4.658 4.527 0.007 0.000 0.299 264 F C 2.453 178.234 175.800 -0.031 0.000 1.090 264 F CA 0.917 58.908 58.000 -0.014 0.000 1.307 264 F CB -0.110 38.893 39.000 0.006 0.000 1.019 264 F HN 0.007 nan 8.300 nan 0.000 0.489 265 K N 0.123 120.627 120.400 0.174 0.000 2.186 265 K HA 0.001 4.325 4.320 0.007 0.000 0.202 265 K C 1.964 178.529 176.600 -0.059 0.000 1.052 265 K CA 0.519 56.862 56.287 0.094 0.000 0.965 265 K CB -0.075 32.546 32.500 0.202 0.000 0.746 265 K HN 0.222 nan 8.250 nan 0.000 0.457 266 L N 0.189 121.349 121.223 -0.105 0.000 2.141 266 L HA -0.120 4.225 4.340 0.007 0.000 0.209 266 L C 2.400 179.163 176.870 -0.178 0.000 1.094 266 L CA 0.955 55.659 54.840 -0.226 0.000 0.763 266 L CB -0.461 41.456 42.059 -0.237 0.000 0.908 266 L HN 0.220 nan 8.230 nan 0.000 0.437 267 A N -0.191 122.545 122.820 -0.140 0.000 1.972 267 A HA -0.207 4.117 4.320 0.007 0.000 0.219 267 A C 1.887 179.388 177.584 -0.138 0.000 1.169 267 A CA 1.739 53.699 52.037 -0.128 0.000 0.635 267 A CB -0.348 18.575 19.000 -0.128 0.000 0.810 267 A HN 0.351 nan 8.150 nan 0.000 0.446 268 D N -0.077 120.202 120.400 -0.201 0.000 2.183 268 D HA -0.053 4.591 4.640 0.007 0.000 0.203 268 D C 1.822 177.889 176.300 -0.388 0.000 0.969 268 D CA 1.057 54.824 54.000 -0.388 0.000 0.842 268 D CB -0.202 40.145 40.800 -0.754 0.000 0.957 268 D HN 0.554 nan 8.370 nan 0.000 0.484 269 I N 0.486 120.898 120.570 -0.263 0.000 2.286 269 I HA -0.151 4.023 4.170 0.007 0.000 0.245 269 I C 2.520 178.584 176.117 -0.088 0.000 1.104 269 I CA 0.450 61.681 61.300 -0.114 0.000 1.397 269 I CB -0.068 37.863 38.000 -0.116 0.000 1.072 269 I HN -0.079 nan 8.210 nan 0.000 0.417 270 L N 0.802 121.956 121.223 -0.114 0.000 2.131 270 L HA -0.212 4.132 4.340 0.007 0.000 0.210 270 L C 2.619 179.448 176.870 -0.067 0.000 1.092 270 L CA 1.450 56.234 54.840 -0.094 0.000 0.759 270 L CB -0.240 41.758 42.059 -0.101 0.000 0.903 270 L HN 0.202 nan 8.230 nan 0.000 0.435 271 K N -0.497 119.865 120.400 -0.062 0.000 2.155 271 K HA -0.129 4.196 4.320 0.007 0.000 0.203 271 K C 1.884 178.477 176.600 -0.011 0.000 1.052 271 K CA 1.120 57.387 56.287 -0.032 0.000 0.948 271 K CB 0.029 32.512 32.500 -0.029 0.000 0.728 271 K HN 0.351 nan 8.250 nan 0.000 0.448 272 A N 0.593 123.414 122.820 0.000 0.000 2.021 272 A HA -0.084 4.241 4.320 0.007 0.000 0.216 272 A C 1.711 179.309 177.584 0.023 0.000 1.163 272 A CA 1.195 53.258 52.037 0.042 0.000 0.676 272 A CB -0.433 18.638 19.000 0.118 0.000 0.818 272 A HN 0.360 nan 8.150 nan 0.000 0.453 273 N N 0.134 118.831 118.700 -0.004 0.000 2.135 273 N HA 0.016 4.760 4.740 0.007 0.000 0.186 273 N C 0.713 176.206 175.510 -0.029 0.000 1.027 273 N CA 1.066 54.105 53.050 -0.019 0.000 0.849 273 N CB -0.167 38.294 38.487 -0.043 0.000 1.002 273 N HN 0.409 nan 8.380 nan 0.000 0.425 274 I N 0.175 120.719 120.570 -0.044 0.000 3.184 274 I HA 0.105 4.280 4.170 0.007 0.000 0.311 274 I C 0.770 176.874 176.117 -0.022 0.000 1.243 274 I CA 0.054 61.326 61.300 -0.047 0.000 1.393 274 I CB -0.039 37.911 38.000 -0.084 0.000 1.471 274 I HN 0.137 nan 8.210 nan 0.000 0.540 275 S N 0.646 116.342 115.700 -0.007 0.000 2.649 275 S HA 0.215 4.690 4.470 0.007 0.000 0.246 275 S C 1.347 175.949 174.600 0.004 0.000 1.057 275 S CA -0.009 58.193 58.200 0.003 0.000 1.051 275 S CB 0.419 63.628 63.200 0.015 0.000 1.018 275 S HN 0.379 nan 8.310 nan 0.000 0.569 276 L N 1.791 123.016 121.223 0.002 0.000 2.221 276 L HA 0.432 4.776 4.340 0.007 0.000 0.202 276 L C 2.162 179.036 176.870 0.007 0.000 1.074 276 L CA 1.376 56.218 54.840 0.003 0.000 0.795 276 L CB -0.442 41.621 42.059 0.006 0.000 0.960 276 L HN 0.233 nan 8.230 nan 0.000 0.458 277 E N -0.906 119.299 120.200 0.009 0.000 2.268 277 E HA -0.121 4.233 4.350 0.007 0.000 0.195 277 E C 1.083 177.703 176.600 0.032 0.000 0.995 277 E CA 1.258 57.676 56.400 0.030 0.000 0.836 277 E CB 0.004 29.705 29.700 0.002 0.000 0.763 277 E HN 0.418 nan 8.360 nan 0.000 0.491 278 T N 0.453 115.013 114.554 0.010 0.000 3.169 278 T HA 0.131 4.485 4.350 0.007 0.000 0.250 278 T C 1.307 176.012 174.700 0.007 0.000 1.111 278 T CA 0.395 62.501 62.100 0.010 0.000 1.010 278 T CB 0.194 69.064 68.868 0.003 0.000 0.984 278 T HN 0.084 nan 8.240 nan 0.000 0.537 279 L N -0.839 120.386 121.223 0.003 0.000 3.039 279 L HA 0.380 4.724 4.340 0.007 0.000 0.269 279 L C 1.922 178.772 176.870 -0.032 0.000 1.169 279 L CA 0.158 54.989 54.840 -0.015 0.000 0.986 279 L CB 0.522 42.570 42.059 -0.019 0.000 1.377 279 L HN 0.111 nan 8.230 nan 0.000 0.575 280 E N -0.415 119.777 120.200 -0.014 0.000 2.094 280 E HA 0.038 4.392 4.350 0.007 0.000 0.193 280 E C 1.348 177.872 176.600 -0.127 0.000 0.950 280 E CA 0.336 56.700 56.400 -0.061 0.000 0.842 280 E CB 0.358 30.050 29.700 -0.014 0.000 0.816 280 E HN 0.407 nan 8.360 nan 0.000 0.465 281 H N 0.069 119.121 119.070 -0.031 0.000 2.539 281 H HA 0.192 4.752 4.556 0.007 0.000 0.269 281 H C 0.273 175.587 175.328 -0.024 0.000 0.980 281 H CA 0.119 56.151 56.048 -0.026 0.000 1.152 281 H CB 0.490 30.237 29.762 -0.025 0.000 1.407 281 H HN 0.027 nan 8.280 nan 0.000 0.564 282 N N -0.379 118.355 118.700 0.057 0.000 3.084 282 N HA 0.186 4.930 4.740 0.007 0.000 0.336 282 N C 0.437 175.943 175.510 -0.006 0.000 1.391 282 N CA -0.273 52.792 53.050 0.025 0.000 0.712 282 N CB -0.255 38.246 38.487 0.023 0.000 1.248 282 N HN 0.072 nan 8.380 nan 0.000 0.545 283 G N -0.583 108.213 108.800 -0.006 0.000 2.272 283 G HA2 0.393 4.357 3.960 0.007 0.000 0.274 283 G HA3 0.393 4.357 3.960 0.007 0.000 0.274 283 G C -0.618 174.263 174.900 -0.033 0.000 1.136 283 G CA 0.001 45.092 45.100 -0.016 0.000 1.098 283 G HN 0.532 nan 8.290 nan 0.000 0.425 284 A N 5.297 128.082 122.820 -0.058 0.000 2.322 284 A HA 0.687 5.011 4.320 0.007 0.000 0.327 284 A C -1.858 175.653 177.584 -0.121 0.000 1.394 284 A CA -1.242 50.736 52.037 -0.098 0.000 0.921 284 A CB 0.707 19.622 19.000 -0.142 0.000 1.153 284 A HN 0.584 nan 8.150 nan 0.000 0.523 285 P HA 0.314 nan 4.420 nan 0.000 0.277 285 P C 0.622 177.880 177.300 -0.069 0.000 1.240 285 P CA -0.325 62.752 63.100 -0.040 0.000 0.798 285 P CB 0.700 32.400 31.700 0.000 0.000 0.979 286 H N -0.211 118.883 119.070 0.040 0.000 2.317 286 H HA 0.008 4.568 4.556 0.007 0.000 0.304 286 H C 0.361 175.763 175.328 0.124 0.000 1.067 286 H CA 1.482 57.569 56.048 0.065 0.000 1.352 286 H CB 0.243 30.040 29.762 0.058 0.000 1.398 286 H HN 0.512 nan 8.280 nan 0.000 0.510 287 H N -2.163 116.983 119.070 0.127 0.000 2.864 287 H HA 0.517 5.078 4.556 0.007 0.000 0.354 287 H C 0.316 175.673 175.328 0.047 0.000 1.208 287 H CA 0.323 56.415 56.048 0.072 0.000 1.191 287 H CB 1.432 31.231 29.762 0.061 0.000 1.889 287 H HN 0.233 nan 8.280 nan 0.000 0.574 288 A N 1.055 123.724 122.820 -0.252 0.000 3.396 288 A HA -0.246 4.078 4.320 0.007 0.000 0.267 288 A C 1.337 178.831 177.584 -0.149 0.000 1.139 288 A CA 1.279 53.227 52.037 -0.149 0.000 1.115 288 A CB -2.454 16.541 19.000 -0.009 0.000 1.133 288 A HN 0.632 nan 8.150 nan 0.000 0.920 289 I N -0.564 119.892 120.570 -0.190 0.000 3.251 289 I HA -0.015 4.159 4.170 0.007 0.000 0.277 289 I C 1.864 177.906 176.117 -0.124 0.000 1.268 289 I CA 1.418 62.649 61.300 -0.115 0.000 1.449 289 I CB -0.115 37.840 38.000 -0.076 0.000 1.083 289 I HN 0.577 nan 8.210 nan 0.000 0.464 290 E N 0.728 120.793 120.200 -0.226 0.000 2.274 290 E HA -0.292 4.062 4.350 0.007 0.000 0.194 290 E C 1.867 178.426 176.600 -0.068 0.000 0.996 290 E CA 0.796 57.114 56.400 -0.137 0.000 0.840 290 E CB 0.201 29.792 29.700 -0.182 0.000 0.772 290 E HN 0.458 nan 8.360 nan 0.000 0.491 291 E N 0.538 120.687 120.200 -0.084 0.000 2.118 291 E HA -0.170 4.184 4.350 0.007 0.000 0.195 291 E C 1.628 178.215 176.600 -0.022 0.000 0.992 291 E CA 1.548 57.922 56.400 -0.044 0.000 0.804 291 E CB -0.199 29.475 29.700 -0.044 0.000 0.741 291 E HN 0.276 nan 8.360 nan 0.000 0.458 292 A N 0.311 123.121 122.820 -0.017 0.000 2.067 292 A HA -0.044 4.280 4.320 0.007 0.000 0.217 292 A C 1.947 179.551 177.584 0.033 0.000 1.156 292 A CA 1.034 53.077 52.037 0.009 0.000 0.683 292 A CB -0.321 18.682 19.000 0.005 0.000 0.808 292 A HN 0.294 nan 8.150 nan 0.000 0.455 293 E N 0.336 120.554 120.200 0.029 0.000 2.274 293 E HA -0.112 4.242 4.350 0.007 0.000 0.194 293 E C 2.244 178.905 176.600 0.102 0.000 0.996 293 E CA 1.061 57.497 56.400 0.061 0.000 0.840 293 E CB -0.018 29.715 29.700 0.055 0.000 0.772 293 E HN 0.811 nan 8.360 nan 0.000 0.491 294 S N 0.627 116.376 115.700 0.081 0.000 2.357 294 S HA -0.104 4.371 4.470 0.007 0.000 0.221 294 S C 2.000 176.670 174.600 0.117 0.000 1.031 294 S CA 0.434 58.693 58.200 0.099 0.000 0.982 294 S CB -0.314 62.909 63.200 0.039 0.000 0.853 294 S HN 0.056 nan 8.310 nan 0.000 0.458 295 L N 0.944 122.206 121.223 0.066 0.000 2.141 295 L HA 0.166 4.510 4.340 0.007 0.000 0.209 295 L C 2.422 179.418 176.870 0.210 0.000 1.094 295 L CA 1.051 55.938 54.840 0.079 0.000 0.763 295 L CB -0.815 41.271 42.059 0.045 0.000 0.908 295 L HN 0.370 nan 8.230 nan 0.000 0.437 296 L N -1.201 120.134 121.223 0.188 0.000 2.217 296 L HA -0.149 4.196 4.340 0.007 0.000 0.211 296 L C 2.380 179.361 176.870 0.184 0.000 1.107 296 L CA 1.308 56.263 54.840 0.192 0.000 0.783 296 L CB -0.314 41.815 42.059 0.116 0.000 0.919 296 L HN 0.290 nan 8.230 nan 0.000 0.442 297 Q N -1.167 118.748 119.800 0.193 0.000 2.163 297 Q HA -0.171 4.173 4.340 0.007 0.000 0.198 297 Q C 2.009 178.135 176.000 0.210 0.000 0.954 297 Q CA 1.656 57.591 55.803 0.219 0.000 0.851 297 Q CB -0.507 28.412 28.738 0.303 0.000 0.928 297 Q HN 0.529 nan 8.270 nan 0.000 0.459 298 F N 0.017 119.987 119.950 0.034 0.000 2.171 298 F HA -0.179 4.353 4.527 0.007 0.000 0.300 298 F C 1.600 177.362 175.800 -0.064 0.000 1.090 298 F CA 2.062 60.029 58.000 -0.055 0.000 1.293 298 F CB -0.152 38.748 39.000 -0.167 0.000 1.013 298 F HN 0.267 nan 8.300 nan 0.000 0.486 299 H N -1.386 117.751 119.070 0.111 0.000 2.395 299 H HA -0.050 4.510 4.556 0.007 0.000 0.299 299 H C 2.141 177.474 175.328 0.008 0.000 1.070 299 H CA 1.511 57.570 56.048 0.018 0.000 1.356 299 H CB -0.100 29.724 29.762 0.103 0.000 1.401 299 H HN 0.151 nan 8.280 nan 0.000 0.524 300 V N 0.369 120.375 119.914 0.154 0.000 2.970 300 V HA -0.080 4.045 4.120 0.007 0.000 0.260 300 V C 2.192 178.334 176.094 0.080 0.000 1.100 300 V CA 1.288 63.676 62.300 0.146 0.000 1.122 300 V CB -0.471 31.425 31.823 0.121 0.000 0.721 300 V HN 0.488 nan 8.190 nan 0.000 0.483 301 A N -1.069 121.745 122.820 -0.010 0.000 2.218 301 A HA 0.038 4.362 4.320 0.007 0.000 0.209 301 A C 2.156 179.616 177.584 -0.206 0.000 1.168 301 A CA 1.402 53.380 52.037 -0.098 0.000 0.804 301 A CB -0.121 18.835 19.000 -0.074 0.000 0.834 301 A HN 0.405 nan 8.150 nan 0.000 0.482 302 T N -2.906 111.514 114.554 -0.224 0.000 2.958 302 T HA 0.091 4.445 4.350 0.007 0.000 0.256 302 T C 1.156 175.838 174.700 -0.029 0.000 0.983 302 T CA 0.443 62.396 62.100 -0.245 0.000 0.924 302 T CB -0.209 68.336 68.868 -0.538 0.000 1.136 302 T HN 0.527 nan 8.240 nan 0.000 0.506 303 Y N 0.634 120.896 120.300 -0.064 0.000 2.546 303 Y HA 0.414 4.968 4.550 0.007 0.000 0.287 303 Y C 1.503 177.395 175.900 -0.013 0.000 1.158 303 Y CA 0.737 58.828 58.100 -0.014 0.000 1.307 303 Y CB -0.010 38.456 38.460 0.011 0.000 1.036 303 Y HN 0.173 nan 8.280 nan 0.000 0.532 304 M N -0.727 118.783 119.600 -0.151 0.000 2.449 304 M HA 0.176 4.660 4.480 0.007 0.000 0.262 304 M C -0.647 175.596 176.300 -0.096 0.000 1.152 304 M CA 0.312 55.496 55.300 -0.192 0.000 1.104 304 M CB 0.930 33.453 32.600 -0.129 0.000 1.416 304 M HN 0.025 nan 8.290 nan 0.000 0.519 305 D N 0.021 120.368 120.400 -0.089 0.000 2.745 305 D HA 0.182 4.826 4.640 0.007 0.000 0.221 305 D C -1.803 174.451 176.300 -0.076 0.000 1.237 305 D CA -0.159 53.807 54.000 -0.057 0.000 0.781 305 D CB 1.561 42.344 40.800 -0.028 0.000 1.575 305 D HN 0.037 nan 8.370 nan 0.000 0.482 306 N N 2.291 120.958 118.700 -0.055 0.000 2.711 306 N HA 0.275 5.019 4.740 0.007 0.000 0.263 306 N C -1.154 174.340 175.510 -0.027 0.000 1.667 306 N CA -0.186 52.833 53.050 -0.051 0.000 0.785 306 N CB 0.547 39.008 38.487 -0.043 0.000 1.231 306 N HN 0.188 nan 8.380 nan 0.000 0.503 307 D N 0.302 120.689 120.400 -0.022 0.000 2.567 307 D HA 0.108 4.752 4.640 0.007 0.000 0.268 307 D C 1.205 177.503 176.300 -0.004 0.000 1.448 307 D CA 0.062 54.055 54.000 -0.011 0.000 0.811 307 D CB 0.724 41.516 40.800 -0.014 0.000 1.192 307 D HN 0.490 nan 8.370 nan 0.000 0.488 308 I N -0.618 119.949 120.570 -0.004 0.000 3.956 308 I HA 0.455 4.629 4.170 0.007 0.000 0.166 308 I C 0.572 176.697 176.117 0.013 0.000 1.012 308 I CA -0.013 61.288 61.300 0.002 0.000 1.401 308 I CB -0.024 37.975 38.000 -0.002 0.000 1.262 308 I HN -0.143 nan 8.210 nan 0.000 0.434 309 A N -0.741 122.093 122.820 0.023 0.000 2.517 309 A HA 0.690 5.014 4.320 0.007 0.000 0.297 309 A C -0.091 177.521 177.584 0.045 0.000 1.050 309 A CA 0.035 52.090 52.037 0.029 0.000 0.694 309 A CB 0.943 19.956 19.000 0.022 0.000 1.277 309 A HN 1.508 nan 8.150 nan 0.000 0.400 310 G N 0.908 109.735 108.800 0.046 0.000 2.222 310 G HA2 -0.019 3.946 3.960 0.007 0.000 0.218 310 G HA3 -0.019 3.946 3.960 0.007 0.000 0.218 310 G C -0.293 174.645 174.900 0.065 0.000 1.450 310 G CA 0.068 45.201 45.100 0.055 0.000 1.361 310 G HN 1.005 nan 8.290 nan 0.000 0.474 311 Q N 1.439 121.307 119.800 0.113 0.000 2.342 311 Q HA 0.595 4.939 4.340 0.007 0.000 0.267 311 Q C -2.014 174.086 176.000 0.167 0.000 1.038 311 Q CA -1.688 54.191 55.803 0.126 0.000 0.832 311 Q CB 2.797 31.599 28.738 0.106 0.000 1.323 311 Q HN 0.450 nan 8.270 nan 0.000 0.448 312 P HA 0.232 nan 4.420 nan 0.000 0.341 312 P C -0.792 176.598 177.300 0.150 0.000 1.368 312 P CA -0.244 62.918 63.100 0.103 0.000 0.835 312 P CB 0.804 32.538 31.700 0.057 0.000 2.010 313 Q N -2.455 117.408 119.800 0.104 0.000 2.857 313 Q HA 0.719 5.063 4.340 0.007 0.000 0.319 313 Q C -0.776 175.265 176.000 0.069 0.000 0.963 313 Q CA -0.848 55.027 55.803 0.120 0.000 0.770 313 Q CB 2.092 30.914 28.738 0.140 0.000 1.492 313 Q HN 0.497 nan 8.270 nan 0.000 0.493 314 A N 0.043 122.900 122.820 0.061 0.000 3.169 314 A HA 0.444 4.768 4.320 0.007 0.000 0.146 314 A C -1.807 175.777 177.584 0.000 0.000 1.265 314 A CA -0.397 51.654 52.037 0.023 0.000 2.339 314 A CB -0.331 18.683 19.000 0.024 0.000 2.810 314 A HN 0.432 nan 8.150 nan 0.000 1.169 315 L N 1.540 122.762 121.223 -0.003 0.000 2.361 315 L HA 0.581 4.925 4.340 0.007 0.000 0.278 315 L C 0.018 176.853 176.870 -0.058 0.000 1.113 315 L CA 1.318 56.136 54.840 -0.036 0.000 0.849 315 L CB 0.147 42.197 42.059 -0.016 0.000 1.155 315 L HN 0.935 nan 8.230 nan 0.000 0.452 316 Q N 3.353 123.051 119.800 -0.170 0.000 2.903 316 Q HA -0.084 4.261 4.340 0.007 0.000 0.285 316 Q C -1.087 174.494 176.000 -0.699 0.000 0.883 316 Q CA -0.473 55.192 55.803 -0.229 0.000 0.903 316 Q CB -0.033 28.682 28.738 -0.039 0.000 1.679 316 Q HN 0.725 nan 8.270 nan 0.000 0.585 317 K N 1.492 121.492 120.400 -0.666 0.000 3.477 317 K HA 0.050 4.375 4.320 0.007 0.000 0.279 317 K C 0.008 176.437 176.600 -0.285 0.000 0.686 317 K CA 0.964 57.151 56.287 -0.166 0.000 0.960 317 K CB -0.256 32.411 32.500 0.279 0.000 1.008 317 K HN 0.393 nan 8.250 nan 0.000 0.368 318 S N -1.634 113.863 115.700 -0.340 0.000 4.174 318 S HA 0.578 5.053 4.470 0.007 0.000 0.210 318 S C 0.488 174.998 174.600 -0.150 0.000 1.163 318 S CA -0.453 57.579 58.200 -0.281 0.000 1.560 318 S CB 0.838 63.767 63.200 -0.451 0.000 1.473 318 S HN 0.463 nan 8.310 nan 0.000 0.742 319 G N 0.823 109.542 108.800 -0.135 0.000 3.137 319 G HA2 0.648 4.613 3.960 0.007 0.000 0.196 319 G HA3 0.648 4.613 3.960 0.007 0.000 0.196 319 G C -1.442 173.422 174.900 -0.060 0.000 1.135 319 G CA -0.561 44.494 45.100 -0.075 0.000 0.803 319 G HN 0.573 nan 8.290 nan 0.000 0.619 320 R N -0.303 120.176 120.500 -0.035 0.000 3.045 320 R HA 0.577 4.921 4.340 0.007 0.000 0.245 320 R C -1.808 174.485 176.300 -0.013 0.000 1.333 320 R CA -1.286 54.804 56.100 -0.017 0.000 1.036 320 R CB -1.015 29.282 30.300 -0.005 0.000 1.340 320 R HN 0.418 nan 8.270 nan 0.000 0.488 321 P HA -0.090 nan 4.420 nan 0.000 0.207 321 P C 0.217 177.521 177.300 0.006 0.000 0.938 321 P CA 1.200 64.305 63.100 0.009 0.000 0.948 321 P CB -0.141 31.565 31.700 0.010 0.000 0.643 322 V N -5.193 114.724 119.914 0.005 0.000 3.285 322 V HA 0.404 4.528 4.120 0.007 0.000 0.293 322 V C 0.338 176.432 176.094 0.000 0.000 1.563 322 V CA -0.881 61.424 62.300 0.009 0.000 1.058 322 V CB 1.720 33.559 31.823 0.025 0.000 1.142 322 V HN 0.135 nan 8.190 nan 0.000 0.470 323 K N 0.278 120.680 120.400 0.003 0.000 2.469 323 K HA 0.455 4.779 4.320 0.007 0.000 0.228 323 K C 0.370 176.952 176.600 -0.031 0.000 1.266 323 K CA 0.951 57.231 56.287 -0.011 0.000 0.775 323 K CB 0.454 32.953 32.500 -0.002 0.000 1.582 323 K HN 1.747 nan 8.250 nan 0.000 0.415 324 S N 1.028 116.706 115.700 -0.037 0.000 4.064 324 S HA -0.154 4.320 4.470 0.007 0.000 0.405 324 S C 0.584 175.092 174.600 -0.153 0.000 0.923 324 S CA 0.529 58.673 58.200 -0.092 0.000 1.172 324 S CB -2.661 60.498 63.200 -0.068 0.000 0.833 324 S HN 0.538 nan 8.310 nan 0.000 0.528 325 I N -1.336 119.140 120.570 -0.157 0.000 4.753 325 I HA -0.505 3.669 4.170 0.007 0.000 0.045 325 I C 2.370 178.426 176.117 -0.101 0.000 0.629 325 I CA 2.326 63.536 61.300 -0.150 0.000 0.624 325 I CB -1.500 36.362 38.000 -0.229 0.000 0.598 325 I HN 0.710 nan 8.210 nan 0.000 0.156 326 R N 1.286 121.730 120.500 -0.094 0.000 2.133 326 R HA -0.173 4.171 4.340 0.007 0.000 0.247 326 R C 1.767 178.024 176.300 -0.071 0.000 1.151 326 R CA 2.172 58.226 56.100 -0.077 0.000 0.971 326 R CB -0.235 30.042 30.300 -0.038 0.000 0.866 326 R HN 0.642 nan 8.270 nan 0.000 0.447 327 A N 0.096 122.881 122.820 -0.059 0.000 2.302 327 A HA 0.090 4.414 4.320 0.007 0.000 0.219 327 A C 1.594 179.152 177.584 -0.044 0.000 1.243 327 A CA -0.039 51.969 52.037 -0.048 0.000 0.856 327 A CB -0.059 18.919 19.000 -0.038 0.000 0.893 327 A HN 0.277 nan 8.150 nan 0.000 0.491 328 R N -0.873 119.597 120.500 -0.050 0.000 2.254 328 R HA 0.258 4.603 4.340 0.007 0.000 0.195 328 R C 1.213 177.485 176.300 -0.048 0.000 0.957 328 R CA 0.197 56.272 56.100 -0.041 0.000 1.024 328 R CB 0.071 30.349 30.300 -0.037 0.000 0.952 328 R HN 0.356 nan 8.270 nan 0.000 0.484 329 L N 0.595 121.778 121.223 -0.066 0.000 2.221 329 L HA 0.093 4.438 4.340 0.007 0.000 0.202 329 L C 1.161 177.986 176.870 -0.075 0.000 1.074 329 L CA 0.611 55.404 54.840 -0.079 0.000 0.795 329 L CB -0.508 41.480 42.059 -0.119 0.000 0.960 329 L HN 0.094 nan 8.230 nan 0.000 0.458 330 K N 1.471 121.827 120.400 -0.074 0.000 2.559 330 K HA -0.021 4.304 4.320 0.007 0.000 0.279 330 K C 0.260 176.824 176.600 -0.060 0.000 0.967 330 K CA 0.257 56.502 56.287 -0.070 0.000 1.000 330 K CB 0.577 33.040 32.500 -0.062 0.000 0.890 330 K HN 0.136 nan 8.250 nan 0.000 0.501 331 G N 2.396 111.156 108.800 -0.066 0.000 2.414 331 G HA2 0.064 4.029 3.960 0.007 0.000 0.236 331 G HA3 0.064 4.029 3.960 0.007 0.000 0.236 331 G C -0.446 174.422 174.900 -0.052 0.000 1.293 331 G CA 0.128 45.191 45.100 -0.063 0.000 0.869 331 G HN 0.770 nan 8.290 nan 0.000 0.556 332 K N 0.949 121.324 120.400 -0.041 0.000 7.055 332 K HA -0.207 4.118 4.320 0.007 0.000 0.623 332 K C 0.826 177.410 176.600 -0.027 0.000 2.571 332 K CA 1.064 57.332 56.287 -0.032 0.000 1.982 332 K CB -0.470 32.009 32.500 -0.036 0.000 2.344 332 K HN 0.926 nan 8.250 nan 0.000 0.202 333 E N -1.477 118.712 120.200 -0.019 0.000 2.885 333 E HA -0.254 4.100 4.350 0.007 0.000 0.267 333 E C 0.366 176.957 176.600 -0.016 0.000 1.100 333 E CA 1.839 58.230 56.400 -0.015 0.000 0.779 333 E CB -1.647 28.044 29.700 -0.015 0.000 1.383 333 E HN 0.734 nan 8.360 nan 0.000 0.443 334 G N -0.453 108.335 108.800 -0.020 0.000 2.609 334 G HA2 0.421 4.385 3.960 0.007 0.000 0.308 334 G HA3 0.421 4.385 3.960 0.007 0.000 0.308 334 G C 0.611 175.499 174.900 -0.020 0.000 1.369 334 G CA -0.259 44.827 45.100 -0.023 0.000 0.958 334 G HN -0.084 nan 8.290 nan 0.000 0.499 335 R N 1.043 121.535 120.500 -0.014 0.000 2.287 335 R HA -0.335 4.009 4.340 0.007 0.000 0.110 335 R C 2.090 178.387 176.300 -0.006 0.000 0.735 335 R CA 2.652 58.747 56.100 -0.009 0.000 0.209 335 R CB -1.461 28.829 30.300 -0.015 0.000 0.581 335 R HN 0.620 nan 8.270 nan 0.000 0.228 336 I N -1.070 119.493 120.570 -0.012 0.000 2.185 336 I HA -0.042 4.132 4.170 0.007 0.000 0.235 336 I C 2.368 178.486 176.117 0.002 0.000 1.069 336 I CA 1.486 62.784 61.300 -0.004 0.000 1.354 336 I CB -0.428 37.567 38.000 -0.009 0.000 1.093 336 I HN 0.151 nan 8.210 nan 0.000 0.411 337 R N 0.276 120.773 120.500 -0.004 0.000 2.307 337 R HA 0.028 4.372 4.340 0.007 0.000 0.199 337 R C 1.707 178.006 176.300 -0.002 0.000 1.000 337 R CA 0.873 56.972 56.100 -0.000 0.000 1.023 337 R CB -0.063 30.232 30.300 -0.009 0.000 0.908 337 R HN 0.515 nan 8.270 nan 0.000 0.473 338 G N -1.381 107.416 108.800 -0.004 0.000 2.759 338 G HA2 -0.005 3.959 3.960 0.007 0.000 0.208 338 G HA3 -0.005 3.959 3.960 0.007 0.000 0.208 338 G C 0.723 175.625 174.900 0.003 0.000 1.076 338 G CA -0.208 44.891 45.100 -0.002 0.000 0.789 338 G HN 0.190 nan 8.290 nan 0.000 0.546 339 N N -0.301 118.401 118.700 0.004 0.000 2.160 339 N HA 0.312 5.056 4.740 0.007 0.000 0.226 339 N C 0.871 176.389 175.510 0.012 0.000 1.256 339 N CA 0.024 53.080 53.050 0.009 0.000 0.890 339 N CB 1.480 39.973 38.487 0.009 0.000 1.116 339 N HN 0.220 nan 8.380 nan 0.000 0.517 340 L N -0.478 120.751 121.223 0.011 0.000 2.688 340 L HA 0.297 4.641 4.340 0.007 0.000 0.216 340 L C 1.768 178.645 176.870 0.012 0.000 1.036 340 L CA 0.103 54.952 54.840 0.014 0.000 0.906 340 L CB 0.176 42.244 42.059 0.015 0.000 1.501 340 L HN -0.056 nan 8.230 nan 0.000 0.489 341 M N -0.270 119.337 119.600 0.011 0.000 2.236 341 M HA 0.154 4.639 4.480 0.007 0.000 0.266 341 M C 0.827 177.129 176.300 0.004 0.000 1.070 341 M CA 0.912 56.218 55.300 0.010 0.000 1.137 341 M CB -0.416 32.194 32.600 0.017 0.000 1.378 341 M HN 0.215 nan 8.290 nan 0.000 0.426 342 G N 1.593 110.396 108.800 0.005 0.000 3.164 342 G HA2 0.413 4.377 3.960 0.007 0.000 0.312 342 G HA3 0.413 4.377 3.960 0.007 0.000 0.312 342 G C -0.656 174.249 174.900 0.008 0.000 1.530 342 G CA -0.563 44.539 45.100 0.003 0.000 1.079 342 G HN 0.145 nan 8.290 nan 0.000 0.527 343 K N 1.062 121.468 120.400 0.010 0.000 2.126 343 K HA 0.405 4.729 4.320 0.007 0.000 0.257 343 K C 0.469 177.085 176.600 0.027 0.000 1.007 343 K CA -0.610 55.688 56.287 0.019 0.000 0.928 343 K CB 1.692 34.205 32.500 0.022 0.000 1.013 343 K HN 0.395 nan 8.250 nan 0.000 0.473 344 R N 0.909 121.428 120.500 0.033 0.000 2.531 344 R HA 0.307 4.651 4.340 0.007 0.000 0.273 344 R C -0.756 175.579 176.300 0.059 0.000 1.070 344 R CA -0.503 55.625 56.100 0.046 0.000 1.112 344 R CB 0.781 31.103 30.300 0.036 0.000 1.049 344 R HN 0.503 nan 8.270 nan 0.000 0.508 345 V N -0.520 119.446 119.914 0.087 0.000 3.049 345 V HA 0.444 4.568 4.120 0.007 0.000 0.309 345 V C -0.782 175.387 176.094 0.124 0.000 1.148 345 V CA -1.242 61.125 62.300 0.112 0.000 0.990 345 V CB 2.035 33.940 31.823 0.137 0.000 1.039 345 V HN 0.665 nan 8.190 nan 0.000 0.430 346 D N 1.149 121.623 120.400 0.123 0.000 2.398 346 D HA 0.455 5.099 4.640 0.007 0.000 0.247 346 D C -0.028 176.396 176.300 0.207 0.000 1.227 346 D CA 0.214 54.247 54.000 0.056 0.000 0.980 346 D CB 0.173 40.963 40.800 -0.017 0.000 1.106 346 D HN 0.703 nan 8.370 nan 0.000 0.493 347 F N -0.482 119.539 119.950 0.117 0.000 2.572 347 F HA -0.247 4.284 4.527 0.007 0.000 0.282 347 F C 0.327 176.202 175.800 0.126 0.000 1.047 347 F CA 0.209 58.286 58.000 0.128 0.000 1.022 347 F CB -1.780 37.307 39.000 0.146 0.000 1.226 347 F HN 0.196 nan 8.300 nan 0.000 0.827 348 S N -0.687 115.116 115.700 0.171 0.000 2.625 348 S HA 1.019 5.493 4.470 0.007 0.000 0.271 348 S C -0.622 173.990 174.600 0.021 0.000 1.161 348 S CA -0.531 57.682 58.200 0.022 0.000 0.820 348 S CB 2.430 65.610 63.200 -0.033 0.000 1.137 348 S HN 1.539 nan 8.310 nan 0.000 0.470 349 A N 0.483 123.288 122.820 -0.025 0.000 2.612 349 A HA 0.912 5.236 4.320 0.007 0.000 0.293 349 A C -1.072 176.574 177.584 0.103 0.000 1.075 349 A CA -0.823 51.275 52.037 0.102 0.000 0.680 349 A CB 1.711 20.870 19.000 0.265 0.000 1.279 349 A HN 1.046 nan 8.150 nan 0.000 0.411 350 R N 0.122 120.734 120.500 0.187 0.000 2.668 350 R HA 0.798 5.142 4.340 0.007 0.000 0.272 350 R C -1.593 174.870 176.300 0.273 0.000 1.019 350 R CA -0.091 56.109 56.100 0.166 0.000 0.894 350 R CB 2.297 32.617 30.300 0.033 0.000 1.228 350 R HN 0.900 nan 8.270 nan 0.000 0.460 351 T N 1.165 115.914 114.554 0.325 0.000 2.831 351 T HA 0.172 4.526 4.350 0.007 0.000 0.333 351 T C -1.377 173.463 174.700 0.233 0.000 1.684 351 T CA -0.585 61.660 62.100 0.242 0.000 1.049 351 T CB 1.547 70.497 68.868 0.137 0.000 1.518 351 T HN 0.255 nan 8.240 nan 0.000 0.491 352 V N 2.923 122.921 119.914 0.139 0.000 2.614 352 V HA 0.369 4.493 4.120 0.007 0.000 0.291 352 V C 0.518 176.716 176.094 0.174 0.000 1.049 352 V CA -0.330 62.041 62.300 0.119 0.000 1.038 352 V CB 0.269 32.141 31.823 0.082 0.000 0.980 352 V HN 0.667 nan 8.190 nan 0.000 0.481 353 I N 3.205 123.879 120.570 0.174 0.000 2.499 353 I HA 0.801 4.975 4.170 0.007 0.000 0.296 353 I C 0.184 176.501 176.117 0.333 0.000 0.992 353 I CA -0.004 61.442 61.300 0.244 0.000 1.297 353 I CB 1.649 39.756 38.000 0.177 0.000 1.410 353 I HN 0.628 nan 8.210 nan 0.000 0.507 354 S N 2.710 118.614 115.700 0.339 0.000 2.569 354 S HA 0.818 5.292 4.470 0.007 0.000 0.280 354 S C -0.297 174.401 174.600 0.163 0.000 1.111 354 S CA -0.733 57.648 58.200 0.301 0.000 0.887 354 S CB 1.434 64.654 63.200 0.033 0.000 1.095 354 S HN 1.082 nan 8.310 nan 0.000 0.476 355 G N 0.023 108.588 108.800 -0.390 0.000 2.389 355 G HA2 0.551 4.516 3.960 0.007 0.000 0.317 355 G HA3 0.551 4.516 3.960 0.007 0.000 0.317 355 G C -1.461 173.338 174.900 -0.168 0.000 1.137 355 G CA -0.349 44.654 45.100 -0.162 0.000 0.870 355 G HN 0.658 nan 8.290 nan 0.000 0.496 356 D N 1.888 122.275 120.400 -0.022 0.000 2.469 356 D HA 0.309 4.953 4.640 0.007 0.000 0.251 356 D C -1.493 174.809 176.300 0.004 0.000 1.173 356 D CA -1.762 52.222 54.000 -0.027 0.000 0.882 356 D CB 2.783 43.583 40.800 0.000 0.000 1.129 356 D HN 0.089 nan 8.370 nan 0.000 0.549 357 P HA -0.042 nan 4.420 nan 0.000 0.221 357 P C 0.414 177.740 177.300 0.043 0.000 1.150 357 P CA 0.496 63.598 63.100 0.004 0.000 0.800 357 P CB 0.564 32.244 31.700 -0.033 0.000 0.787 358 N N -0.240 118.496 118.700 0.061 0.000 2.389 358 N HA 0.205 4.949 4.740 0.007 0.000 0.237 358 N C 0.218 175.783 175.510 0.092 0.000 1.148 358 N CA 0.116 53.236 53.050 0.116 0.000 0.854 358 N CB -0.251 38.331 38.487 0.158 0.000 1.115 358 N HN 0.248 nan 8.380 nan 0.000 0.492 359 L N -0.237 121.031 121.223 0.076 0.000 2.304 359 L HA 0.418 4.762 4.340 0.007 0.000 0.268 359 L C 0.483 177.405 176.870 0.086 0.000 1.010 359 L CA -0.876 54.007 54.840 0.072 0.000 0.813 359 L CB 1.514 43.610 42.059 0.062 0.000 1.315 359 L HN -0.032 nan 8.230 nan 0.000 0.445 360 E N 0.673 120.922 120.200 0.082 0.000 2.248 360 E HA 0.121 4.475 4.350 0.007 0.000 0.272 360 E C 0.533 177.198 176.600 0.107 0.000 1.008 360 E CA -0.502 55.952 56.400 0.090 0.000 0.856 360 E CB 2.199 31.938 29.700 0.064 0.000 1.120 360 E HN 0.411 nan 8.360 nan 0.000 0.397 361 L N 2.776 124.084 121.223 0.141 0.000 1.978 361 L HA -0.253 4.091 4.340 0.007 0.000 0.218 361 L C 1.656 178.584 176.870 0.097 0.000 1.075 361 L CA 2.428 57.372 54.840 0.173 0.000 0.767 361 L CB -0.375 41.863 42.059 0.298 0.000 0.890 361 L HN 0.617 nan 8.230 nan 0.000 0.434 362 D N -1.149 119.266 120.400 0.025 0.000 2.378 362 D HA -0.135 4.510 4.640 0.007 0.000 0.227 362 D C 0.460 176.746 176.300 -0.024 0.000 1.012 362 D CA 0.237 54.173 54.000 -0.107 0.000 0.905 362 D CB -0.307 40.433 40.800 -0.099 0.000 0.895 362 D HN 0.563 nan 8.370 nan 0.000 0.532 363 Q N -0.036 119.824 119.800 0.099 0.000 2.260 363 Q HA 0.463 4.808 4.340 0.007 0.000 0.238 363 Q C -0.877 175.228 176.000 0.175 0.000 0.948 363 Q CA -0.615 55.263 55.803 0.125 0.000 0.895 363 Q CB 2.833 31.613 28.738 0.071 0.000 1.218 363 Q HN -0.012 nan 8.270 nan 0.000 0.470 364 V N 0.457 120.379 119.914 0.013 0.000 2.610 364 V HA 0.409 4.534 4.120 0.007 0.000 0.298 364 V C -0.553 175.495 176.094 -0.077 0.000 1.067 364 V CA -0.400 61.768 62.300 -0.221 0.000 0.894 364 V CB 1.764 33.134 31.823 -0.755 0.000 1.015 364 V HN 0.875 nan 8.190 nan 0.000 0.432 365 G N 6.119 114.906 108.800 -0.022 0.000 2.494 365 G HA2 0.399 4.364 3.960 0.007 0.000 0.297 365 G HA3 0.399 4.364 3.960 0.007 0.000 0.297 365 G C -0.207 174.737 174.900 0.074 0.000 0.971 365 G CA -0.070 45.045 45.100 0.025 0.000 1.378 365 G HN 0.767 nan 8.290 nan 0.000 0.456 366 V N 6.275 126.229 119.914 0.068 0.000 2.488 366 V HA 0.198 4.323 4.120 0.007 0.000 0.277 366 V C -1.429 174.594 176.094 -0.119 0.000 1.046 366 V CA -1.422 60.902 62.300 0.039 0.000 0.986 366 V CB 1.398 33.299 31.823 0.130 0.000 0.989 366 V HN 0.606 nan 8.190 nan 0.000 0.475 367 P HA 0.159 nan 4.420 nan 0.000 0.275 367 P C 0.496 177.686 177.300 -0.183 0.000 1.228 367 P CA -0.481 62.491 63.100 -0.214 0.000 0.786 367 P CB 1.286 32.825 31.700 -0.269 0.000 0.927 368 K N 2.377 122.675 120.400 -0.171 0.000 2.059 368 K HA -0.218 4.106 4.320 0.007 0.000 0.212 368 K C 2.035 178.554 176.600 -0.135 0.000 1.050 368 K CA 2.631 58.808 56.287 -0.182 0.000 0.927 368 K CB -0.529 31.859 32.500 -0.186 0.000 0.714 368 K HN 0.530 nan 8.250 nan 0.000 0.447 369 S N 0.321 115.944 115.700 -0.127 0.000 2.399 369 S HA -0.119 4.355 4.470 0.007 0.000 0.231 369 S C 1.973 176.522 174.600 -0.085 0.000 1.022 369 S CA 1.198 59.336 58.200 -0.105 0.000 0.983 369 S CB -0.483 62.660 63.200 -0.095 0.000 0.803 369 S HN 0.383 nan 8.310 nan 0.000 0.480 370 I N 1.839 122.353 120.570 -0.092 0.000 2.439 370 I HA -0.045 4.129 4.170 0.007 0.000 0.251 370 I C 3.051 179.176 176.117 0.014 0.000 1.139 370 I CA 0.951 62.224 61.300 -0.044 0.000 1.438 370 I CB -0.737 37.208 38.000 -0.091 0.000 1.085 370 I HN 0.443 nan 8.210 nan 0.000 0.427 371 A N 1.093 123.911 122.820 -0.004 0.000 1.933 371 A HA -0.195 4.129 4.320 0.007 0.000 0.218 371 A C 2.258 179.817 177.584 -0.041 0.000 1.175 371 A CA 1.453 53.527 52.037 0.061 0.000 0.628 371 A CB -0.380 18.685 19.000 0.109 0.000 0.814 371 A HN 0.309 nan 8.150 nan 0.000 0.444 372 K N -0.829 119.453 120.400 -0.197 0.000 2.365 372 K HA -0.032 4.293 4.320 0.007 0.000 0.199 372 K C 1.683 178.264 176.600 -0.033 0.000 1.045 372 K CA 1.418 57.425 56.287 -0.467 0.000 0.962 372 K CB -0.076 32.235 32.500 -0.315 0.000 0.759 372 K HN 0.525 nan 8.250 nan 0.000 0.469 373 T N 1.064 115.638 114.554 0.034 0.000 2.837 373 T HA 0.088 4.442 4.350 0.007 0.000 0.248 373 T C 0.798 175.588 174.700 0.150 0.000 1.033 373 T CA 0.252 62.396 62.100 0.074 0.000 1.150 373 T CB 0.046 68.936 68.868 0.037 0.000 0.865 373 T HN -0.022 nan 8.240 nan 0.000 0.425 374 L N 1.382 122.722 121.223 0.194 0.000 2.439 374 L HA 0.416 4.760 4.340 0.007 0.000 0.269 374 L C 0.401 177.486 176.870 0.358 0.000 1.179 374 L CA 0.050 55.073 54.840 0.306 0.000 0.828 374 L CB 0.742 42.974 42.059 0.289 0.000 1.106 374 L HN 0.140 nan 8.230 nan 0.000 0.467 375 T N 0.736 115.574 114.554 0.474 0.000 2.900 375 T HA 0.435 4.789 4.350 0.007 0.000 0.303 375 T C -1.788 173.018 174.700 0.177 0.000 1.142 375 T CA -0.417 61.878 62.100 0.324 0.000 1.007 375 T CB 0.992 70.038 68.868 0.296 0.000 1.156 375 T HN 0.356 nan 8.240 nan 0.000 0.490 376 Y N 5.647 125.951 120.300 0.007 0.000 2.331 376 Y HA 0.581 5.135 4.550 0.007 0.000 0.334 376 Y C -2.551 173.329 175.900 -0.033 0.000 0.960 376 Y CA -2.611 55.447 58.100 -0.071 0.000 1.130 376 Y CB 1.832 40.274 38.460 -0.030 0.000 1.164 376 Y HN 0.342 nan 8.280 nan 0.000 0.458 377 P HA 0.068 nan 4.420 nan 0.000 0.271 377 P C -1.031 175.766 177.300 -0.839 0.000 1.233 377 P CA 0.275 63.043 63.100 -0.554 0.000 0.764 377 P CB 1.041 32.517 31.700 -0.373 0.000 0.825 378 E N 2.865 122.834 120.200 -0.385 0.000 2.210 378 E HA 0.351 4.705 4.350 0.007 0.000 0.266 378 E C -0.846 175.726 176.600 -0.047 0.000 0.883 378 E CA -1.016 55.278 56.400 -0.175 0.000 0.761 378 E CB 1.463 31.166 29.700 0.004 0.000 1.156 378 E HN 0.103 nan 8.360 nan 0.000 0.412 379 V N 3.656 123.574 119.914 0.007 0.000 2.649 379 V HA 0.118 4.242 4.120 0.007 0.000 0.292 379 V C 0.176 176.317 176.094 0.079 0.000 1.055 379 V CA -0.772 61.561 62.300 0.056 0.000 1.023 379 V CB 1.347 33.212 31.823 0.071 0.000 0.992 379 V HN 0.518 nan 8.190 nan 0.000 0.480 380 V N 4.192 124.157 119.914 0.085 0.000 2.397 380 V HA 0.241 4.365 4.120 0.007 0.000 0.262 380 V C 0.553 176.681 176.094 0.058 0.000 1.047 380 V CA 0.531 62.856 62.300 0.042 0.000 1.003 380 V CB 0.708 32.523 31.823 -0.013 0.000 1.037 380 V HN 1.040 nan 8.190 nan 0.000 0.480 381 T N 7.245 121.824 114.554 0.041 0.000 2.863 381 T HA 0.459 4.813 4.350 0.007 0.000 0.285 381 T C -1.548 173.060 174.700 -0.152 0.000 1.009 381 T CA -1.954 60.124 62.100 -0.037 0.000 0.989 381 T CB 2.125 70.971 68.868 -0.037 0.000 1.004 381 T HN 0.436 nan 8.240 nan 0.000 0.455 382 P HA -0.142 nan 4.420 nan 0.000 0.220 382 P C 0.622 177.841 177.300 -0.135 0.000 1.144 382 P CA 1.404 64.475 63.100 -0.048 0.000 0.800 382 P CB -0.089 31.467 31.700 -0.241 0.000 0.772 383 Y N 2.010 122.371 120.300 0.100 0.000 2.153 383 Y HA -0.127 4.427 4.550 0.007 0.000 0.289 383 Y C 2.435 178.367 175.900 0.052 0.000 1.127 383 Y CA 1.225 59.363 58.100 0.063 0.000 1.131 383 Y CB -1.596 36.895 38.460 0.053 0.000 0.995 383 Y HN 0.104 nan 8.280 nan 0.000 0.505 384 N N 0.754 119.563 118.700 0.183 0.000 2.422 384 N HA -0.038 4.707 4.740 0.007 0.000 0.181 384 N C 1.204 176.744 175.510 0.051 0.000 1.080 384 N CA 0.535 53.657 53.050 0.120 0.000 0.893 384 N CB -0.935 37.630 38.487 0.130 0.000 0.973 384 N HN 0.422 nan 8.380 nan 0.000 0.456 385 I N 1.682 122.257 120.570 0.008 0.000 2.091 385 I HA -0.392 3.783 4.170 0.007 0.000 0.240 385 I C 1.469 177.571 176.117 -0.024 0.000 1.046 385 I CA 1.962 63.233 61.300 -0.047 0.000 1.306 385 I CB -0.468 37.461 38.000 -0.118 0.000 1.018 385 I HN 0.127 nan 8.210 nan 0.000 0.404 386 D N 0.224 120.622 120.400 -0.005 0.000 2.149 386 D HA -0.266 4.378 4.640 0.007 0.000 0.194 386 D C 2.182 178.486 176.300 0.007 0.000 1.001 386 D CA 1.641 55.642 54.000 0.002 0.000 0.849 386 D CB -0.420 40.390 40.800 0.016 0.000 0.939 386 D HN 0.476 nan 8.370 nan 0.000 0.449 387 R N 0.366 120.878 120.500 0.020 0.000 2.140 387 R HA 0.080 4.424 4.340 0.007 0.000 0.213 387 R C 2.509 178.818 176.300 0.015 0.000 1.059 387 R CA 0.023 56.136 56.100 0.022 0.000 1.000 387 R CB -0.102 30.219 30.300 0.035 0.000 0.910 387 R HN 0.134 nan 8.270 nan 0.000 0.455 388 L N 0.590 121.821 121.223 0.014 0.000 2.156 388 L HA -0.079 4.265 4.340 0.007 0.000 0.208 388 L C 1.670 178.537 176.870 -0.004 0.000 1.095 388 L CA 1.427 56.273 54.840 0.009 0.000 0.770 388 L CB -0.076 41.992 42.059 0.014 0.000 0.914 388 L HN 0.279 nan 8.230 nan 0.000 0.439 389 T N -1.729 112.816 114.554 -0.016 0.000 2.942 389 T HA -0.209 4.146 4.350 0.007 0.000 0.265 389 T C 1.629 176.322 174.700 -0.012 0.000 1.062 389 T CA 0.986 63.074 62.100 -0.020 0.000 1.139 389 T CB -0.021 68.823 68.868 -0.039 0.000 0.883 389 T HN 0.218 nan 8.240 nan 0.000 0.468 390 Q N 0.779 120.574 119.800 -0.009 0.000 2.135 390 Q HA -0.035 4.309 4.340 0.007 0.000 0.204 390 Q C 2.101 178.097 176.000 -0.007 0.000 0.981 390 Q CA 1.222 57.022 55.803 -0.005 0.000 0.856 390 Q CB -0.555 28.183 28.738 0.001 0.000 0.902 390 Q HN 0.353 nan 8.270 nan 0.000 0.425 391 L N -0.555 120.662 121.223 -0.010 0.000 2.046 391 L HA -0.152 4.192 4.340 0.007 0.000 0.208 391 L C 2.291 179.140 176.870 -0.035 0.000 1.077 391 L CA 1.211 56.037 54.840 -0.024 0.000 0.747 391 L CB -0.893 41.151 42.059 -0.025 0.000 0.896 391 L HN 0.228 nan 8.230 nan 0.000 0.432 392 V N -0.109 119.793 119.914 -0.021 0.000 2.295 392 V HA -0.287 3.837 4.120 0.007 0.000 0.246 392 V C 2.662 178.748 176.094 -0.014 0.000 1.049 392 V CA 1.654 63.945 62.300 -0.015 0.000 1.024 392 V CB -0.521 31.309 31.823 0.011 0.000 0.648 392 V HN 0.434 nan 8.190 nan 0.000 0.447 393 R N -0.141 120.354 120.500 -0.008 0.000 2.115 393 R HA -0.136 4.208 4.340 0.007 0.000 0.230 393 R C 2.095 178.392 176.300 -0.005 0.000 1.111 393 R CA 1.616 57.714 56.100 -0.004 0.000 0.976 393 R CB -0.342 29.957 30.300 -0.003 0.000 0.870 393 R HN 0.520 nan 8.270 nan 0.000 0.445 394 N N -0.399 118.297 118.700 -0.006 0.000 2.331 394 N HA -0.016 4.729 4.740 0.007 0.000 0.180 394 N C 0.539 176.050 175.510 0.003 0.000 1.019 394 N CA 1.134 54.185 53.050 0.001 0.000 0.881 394 N CB 0.090 38.581 38.487 0.007 0.000 0.972 394 N HN 0.331 nan 8.380 nan 0.000 0.435 395 G N -0.089 108.702 108.800 -0.016 0.000 2.846 395 G HA2 -0.172 3.792 3.960 0.007 0.000 0.660 395 G HA3 -0.172 3.792 3.960 0.007 0.000 0.660 395 G C -2.205 172.704 174.900 0.016 0.000 1.464 395 G CA -0.302 44.782 45.100 -0.026 0.000 0.891 395 G HN 0.109 nan 8.290 nan 0.000 0.552 396 P HA 0.077 nan 4.420 nan 0.000 0.259 396 P C 0.537 177.927 177.300 0.150 0.000 1.480 396 P CA 0.556 63.726 63.100 0.116 0.000 0.842 396 P CB -0.222 31.450 31.700 -0.046 0.000 1.513 397 N N -0.482 118.272 118.700 0.090 0.000 2.742 397 N HA 0.025 4.769 4.740 0.007 0.000 0.233 397 N C 0.467 175.991 175.510 0.023 0.000 1.033 397 N CA -0.042 53.025 53.050 0.028 0.000 0.993 397 N CB -0.322 38.162 38.487 -0.004 0.000 1.544 397 N HN 0.106 nan 8.380 nan 0.000 0.459 398 E N 0.522 120.745 120.200 0.039 0.000 2.360 398 E HA -0.058 4.297 4.350 0.007 0.000 0.269 398 E C 0.500 177.141 176.600 0.069 0.000 1.022 398 E CA -0.060 56.367 56.400 0.044 0.000 0.887 398 E CB 0.670 30.392 29.700 0.036 0.000 0.990 398 E HN 0.306 nan 8.360 nan 0.000 0.426 399 H N 4.962 124.019 119.070 -0.021 0.000 2.265 399 H HA -0.093 4.467 4.556 0.006 0.000 0.293 399 H C -1.363 174.017 175.328 0.086 0.000 1.089 399 H CA 1.851 57.873 56.048 -0.044 0.000 1.244 399 H CB -0.741 28.988 29.762 -0.056 0.000 1.355 399 H HN 0.411 nan 8.280 nan 0.000 0.485 400 P HA 0.192 nan 4.420 nan 0.000 0.232 400 P C -0.351 176.908 177.300 -0.068 0.000 1.738 400 P CA 0.559 63.512 63.100 -0.245 0.000 0.948 400 P CB 0.245 31.915 31.700 -0.051 0.000 1.943 401 G N -0.207 108.630 108.800 0.061 0.000 3.251 401 G HA2 0.841 4.806 3.960 0.007 0.000 0.248 401 G HA3 0.841 4.806 3.960 0.007 0.000 0.248 401 G C -1.592 173.124 174.900 -0.306 0.000 1.320 401 G CA -0.737 44.373 45.100 0.017 0.000 0.982 401 G HN 0.308 nan 8.290 nan 0.000 0.575 402 A N -0.633 121.935 122.820 -0.419 0.000 2.605 402 A HA 0.751 5.075 4.320 0.007 0.000 0.294 402 A C -0.878 176.494 177.584 -0.352 0.000 1.062 402 A CA -0.548 51.189 52.037 -0.500 0.000 0.682 402 A CB 1.695 20.558 19.000 -0.229 0.000 1.278 402 A HN 1.095 nan 8.150 nan 0.000 0.410 403 K N 0.293 120.487 120.400 -0.344 0.000 2.400 403 K HA 0.776 5.100 4.320 0.007 0.000 0.246 403 K C -1.400 175.108 176.600 -0.155 0.000 0.995 403 K CA -0.707 55.408 56.287 -0.287 0.000 0.840 403 K CB 1.239 33.460 32.500 -0.465 0.000 1.293 403 K HN 1.014 nan 8.250 nan 0.000 0.445 404 Y N -1.608 118.670 120.300 -0.037 0.000 2.576 404 Y HA -0.170 4.384 4.550 0.008 0.000 0.031 404 Y C -1.025 174.851 175.900 -0.039 0.000 1.769 404 Y CA -0.547 57.537 58.100 -0.027 0.000 1.368 404 Y CB -1.187 37.271 38.460 -0.005 0.000 2.017 404 Y HN 0.436 nan 8.280 nan 0.000 0.265 405 V N 5.958 125.937 119.914 0.108 0.000 2.483 405 V HA 0.574 4.699 4.120 0.007 0.000 0.297 405 V C 0.117 176.146 176.094 -0.109 0.000 1.027 405 V CA -0.892 61.419 62.300 0.017 0.000 0.855 405 V CB 1.928 33.772 31.823 0.035 0.000 0.995 405 V HN 0.479 nan 8.190 nan 0.000 0.424 406 I N 5.278 125.764 120.570 -0.140 0.000 2.359 406 I HA 0.532 4.706 4.170 0.007 0.000 0.294 406 I C 0.652 176.485 176.117 -0.474 0.000 0.987 406 I CA 0.036 61.191 61.300 -0.241 0.000 1.225 406 I CB 1.215 39.130 38.000 -0.142 0.000 1.366 406 I HN 0.536 nan 8.210 nan 0.000 0.466 407 R N 2.830 122.946 120.500 -0.640 0.000 2.748 407 R HA 0.313 4.657 4.340 0.007 0.000 0.220 407 R C 0.460 176.436 176.300 -0.540 0.000 1.404 407 R CA -0.806 54.632 56.100 -1.103 0.000 1.039 407 R CB 0.333 30.047 30.300 -0.978 0.000 1.904 407 R HN 0.506 nan 8.270 nan 0.000 0.529 408 D N 0.472 120.677 120.400 -0.325 0.000 2.078 408 D HA -0.121 4.523 4.640 0.007 0.000 0.193 408 D C 1.413 177.677 176.300 -0.060 0.000 0.990 408 D CA 1.904 55.888 54.000 -0.027 0.000 0.827 408 D CB -0.319 40.542 40.800 0.102 0.000 0.975 408 D HN 0.411 nan 8.370 nan 0.000 0.451 409 S N -0.829 114.820 115.700 -0.085 0.000 2.701 409 S HA 0.334 4.809 4.470 0.007 0.000 0.220 409 S C 1.558 176.109 174.600 -0.081 0.000 0.954 409 S CA 0.417 58.576 58.200 -0.069 0.000 0.936 409 S CB 0.225 63.390 63.200 -0.058 0.000 0.777 409 S HN 0.410 nan 8.310 nan 0.000 0.518 410 G N 1.421 110.155 108.800 -0.110 0.000 2.148 410 G HA2 -0.218 3.746 3.960 0.007 0.000 0.254 410 G HA3 -0.218 3.746 3.960 0.007 0.000 0.254 410 G C -0.468 174.359 174.900 -0.122 0.000 0.981 410 G CA -0.002 45.036 45.100 -0.102 0.000 0.670 410 G HN 0.541 nan 8.290 nan 0.000 0.528 411 D N -0.285 120.025 120.400 -0.150 0.000 2.372 411 D HA 0.402 5.046 4.640 0.007 0.000 0.243 411 D C 0.761 176.957 176.300 -0.173 0.000 1.121 411 D CA 0.001 53.914 54.000 -0.145 0.000 0.898 411 D CB 0.828 41.545 40.800 -0.139 0.000 1.202 411 D HN 0.328 nan 8.370 nan 0.000 0.428 412 R N 1.706 122.118 120.500 -0.146 0.000 2.246 412 R HA 0.300 4.644 4.340 0.007 0.000 0.332 412 R C -0.678 175.562 176.300 -0.100 0.000 0.974 412 R CA -0.734 55.271 56.100 -0.158 0.000 0.837 412 R CB 0.224 30.399 30.300 -0.207 0.000 1.145 412 R HN 0.232 nan 8.270 nan 0.000 0.467 413 I N 3.862 124.384 120.570 -0.080 0.000 2.347 413 I HA 0.019 4.194 4.170 0.007 0.000 0.294 413 I C 0.156 176.339 176.117 0.111 0.000 1.090 413 I CA 0.084 61.382 61.300 -0.002 0.000 1.314 413 I CB 0.612 38.600 38.000 -0.020 0.000 1.423 413 I HN 0.419 nan 8.210 nan 0.000 0.503 414 D N 5.988 126.483 120.400 0.158 0.000 2.371 414 D HA 0.085 4.729 4.640 0.007 0.000 0.256 414 D C 0.793 177.193 176.300 0.167 0.000 1.193 414 D CA 0.227 54.404 54.000 0.295 0.000 0.881 414 D CB 1.061 42.059 40.800 0.331 0.000 1.143 414 D HN 0.450 nan 8.370 nan 0.000 0.473 415 L N 4.016 125.295 121.223 0.093 0.000 2.592 415 L HA 0.071 4.416 4.340 0.007 0.000 0.227 415 L C 1.988 178.813 176.870 -0.075 0.000 1.127 415 L CA 0.152 54.993 54.840 0.001 0.000 0.884 415 L CB 0.146 42.182 42.059 -0.038 0.000 1.065 415 L HN 0.369 nan 8.230 nan 0.000 0.457 416 R N -1.615 118.791 120.500 -0.157 0.000 2.476 416 R HA 0.109 4.453 4.340 0.007 0.000 0.276 416 R C -0.637 175.268 176.300 -0.659 0.000 0.941 416 R CA -0.104 55.783 56.100 -0.354 0.000 1.088 416 R CB 0.162 30.205 30.300 -0.428 0.000 1.216 416 R HN 0.094 nan 8.270 nan 0.000 0.533 417 Y N -0.200 120.119 120.300 0.031 0.000 2.693 417 Y HA 0.639 5.190 4.550 0.001 0.000 0.331 417 Y C 0.265 176.182 175.900 0.027 0.000 1.092 417 Y CA -0.443 57.673 58.100 0.027 0.000 1.131 417 Y CB 1.384 39.861 38.460 0.028 0.000 1.318 417 Y HN 0.193 nan 8.280 nan 0.000 0.510 418 S N -0.320 115.500 115.700 0.200 0.000 3.371 418 S HA -0.074 4.401 4.470 0.007 0.000 0.645 418 S C -0.201 174.444 174.600 0.076 0.000 0.757 418 S CA -0.164 58.105 58.200 0.114 0.000 1.253 418 S CB -0.615 62.644 63.200 0.097 0.000 1.047 418 S HN 0.941 nan 8.310 nan 0.000 0.350 419 K N 1.810 122.243 120.400 0.055 0.000 2.211 419 K HA 0.203 4.527 4.320 0.007 0.000 0.201 419 K C 1.728 178.350 176.600 0.037 0.000 1.052 419 K CA 0.540 56.852 56.287 0.042 0.000 0.973 419 K CB -0.051 32.469 32.500 0.033 0.000 0.766 419 K HN 0.480 nan 8.250 nan 0.000 0.466 420 R N 0.529 121.052 120.500 0.039 0.000 2.466 420 R HA 0.245 4.589 4.340 0.007 0.000 0.279 420 R C 1.216 177.540 176.300 0.040 0.000 0.976 420 R CA 0.124 56.247 56.100 0.038 0.000 1.081 420 R CB 0.289 30.614 30.300 0.042 0.000 1.215 420 R HN 0.308 nan 8.270 nan 0.000 0.546 421 A N -0.349 122.492 122.820 0.036 0.000 2.119 421 A HA 0.080 4.405 4.320 0.007 0.000 0.216 421 A C 1.494 179.090 177.584 0.020 0.000 1.152 421 A CA 0.953 53.008 52.037 0.030 0.000 0.708 421 A CB 0.046 19.061 19.000 0.024 0.000 0.805 421 A HN 0.358 nan 8.150 nan 0.000 0.460 422 G N -0.785 108.026 108.800 0.019 0.000 3.782 422 G HA2 0.415 4.380 3.960 0.007 0.000 0.288 422 G HA3 0.415 4.380 3.960 0.007 0.000 0.288 422 G C -0.099 174.810 174.900 0.015 0.000 1.300 422 G CA 0.629 45.736 45.100 0.013 0.000 1.261 422 G HN 0.440 nan 8.290 nan 0.000 0.591 423 D N -0.433 119.980 120.400 0.021 0.000 2.767 423 D HA 0.188 4.832 4.640 0.007 0.000 0.092 423 D C 0.067 176.385 176.300 0.031 0.000 1.440 423 D CA -0.450 53.563 54.000 0.022 0.000 1.362 423 D CB -0.273 40.542 40.800 0.026 0.000 2.385 423 D HN 0.072 nan 8.370 nan 0.000 0.246 424 I N 1.456 122.057 120.570 0.052 0.000 8.319 424 I HA -0.197 3.977 4.170 0.007 0.000 0.126 424 I C -0.912 175.231 176.117 0.044 0.000 1.836 424 I CA 0.131 61.485 61.300 0.090 0.000 2.073 424 I CB -0.458 37.620 38.000 0.130 0.000 3.775 424 I HN 0.346 nan 8.210 nan 0.000 0.180 425 Q N 6.918 126.723 119.800 0.009 0.000 2.337 425 Q HA 0.444 4.788 4.340 0.007 0.000 0.255 425 Q C -0.194 175.665 176.000 -0.234 0.000 0.997 425 Q CA -0.427 55.319 55.803 -0.095 0.000 0.925 425 Q CB 1.439 30.113 28.738 -0.107 0.000 1.212 425 Q HN 0.500 nan 8.270 nan 0.000 0.436 426 L N 4.088 125.150 121.223 -0.269 0.000 2.385 426 L HA 0.050 4.394 4.340 0.007 0.000 0.281 426 L C 0.879 177.273 176.870 -0.792 0.000 1.106 426 L CA -0.186 54.381 54.840 -0.455 0.000 0.856 426 L CB 0.246 42.184 42.059 -0.200 0.000 1.186 426 L HN 0.318 nan 8.230 nan 0.000 0.453 427 Q N 2.197 121.146 119.800 -1.417 0.000 2.407 427 Q HA 0.231 4.576 4.340 0.007 0.000 0.214 427 Q C -0.741 174.736 176.000 -0.873 0.000 1.043 427 Q CA -0.332 54.783 55.803 -1.146 0.000 0.983 427 Q CB 0.608 28.659 28.738 -1.145 0.000 1.211 427 Q HN 0.288 nan 8.270 nan 0.000 0.564 428 Y N -0.675 119.397 120.300 -0.381 0.000 2.346 428 Y HA 0.308 4.863 4.550 0.009 0.000 0.330 428 Y C 1.496 177.350 175.900 -0.077 0.000 1.178 428 Y CA 1.163 59.147 58.100 -0.192 0.000 1.331 428 Y CB 0.676 39.050 38.460 -0.144 0.000 1.253 428 Y HN 0.848 nan 8.280 nan 0.000 0.529 429 G N 0.729 109.633 108.800 0.174 0.000 2.143 429 G HA2 -0.264 3.700 3.960 0.007 0.000 0.249 429 G HA3 -0.264 3.700 3.960 0.007 0.000 0.249 429 G C -0.501 174.587 174.900 0.313 0.000 0.981 429 G CA -0.515 44.704 45.100 0.198 0.000 0.665 429 G HN 0.493 nan 8.290 nan 0.000 0.528 430 W N 0.985 122.288 121.300 0.005 0.000 2.313 430 W HA 0.685 5.348 4.660 0.005 0.000 0.328 430 W C 0.749 177.257 176.519 -0.019 0.000 1.197 430 W CA -1.132 56.205 57.345 -0.013 0.000 1.235 430 W CB 0.743 30.183 29.460 -0.033 0.000 1.158 430 W HN -0.011 nan 8.180 nan 0.000 0.578 431 K N 1.331 121.818 120.400 0.144 0.000 2.143 431 K HA 0.574 4.898 4.320 0.007 0.000 0.272 431 K C -1.076 175.555 176.600 0.052 0.000 1.001 431 K CA -0.726 55.593 56.287 0.053 0.000 0.915 431 K CB 1.596 34.088 32.500 -0.013 0.000 1.047 431 K HN 0.110 nan 8.250 nan 0.000 0.458 432 V N 3.279 123.209 119.914 0.027 0.000 2.488 432 V HA 0.096 4.220 4.120 0.007 0.000 0.293 432 V C -0.818 175.270 176.094 -0.011 0.000 1.027 432 V CA -0.852 61.465 62.300 0.028 0.000 0.862 432 V CB 1.536 33.387 31.823 0.047 0.000 1.008 432 V HN 0.747 nan 8.190 nan 0.000 0.428 433 E N 5.049 125.257 120.200 0.013 0.000 2.257 433 E HA 0.379 4.734 4.350 0.007 0.000 0.278 433 E C -0.032 176.547 176.600 -0.035 0.000 1.049 433 E CA -0.329 56.076 56.400 0.008 0.000 0.876 433 E CB 0.826 30.601 29.700 0.126 0.000 1.035 433 E HN 0.685 nan 8.360 nan 0.000 0.419 434 R N 1.969 122.455 120.500 -0.024 0.000 2.832 434 R HA 0.415 4.759 4.340 0.007 0.000 0.271 434 R C -0.102 176.192 176.300 -0.011 0.000 0.996 434 R CA -0.914 55.145 56.100 -0.068 0.000 0.977 434 R CB 0.829 31.128 30.300 -0.002 0.000 1.168 434 R HN 0.399 nan 8.270 nan 0.000 0.482 435 H N 0.888 119.965 119.070 0.011 0.000 2.871 435 H HA 0.095 4.654 4.556 0.005 0.000 0.377 435 H C 0.354 175.715 175.328 0.056 0.000 1.307 435 H CA 0.010 56.068 56.048 0.017 0.000 1.449 435 H CB 0.485 30.195 29.762 -0.087 0.000 1.452 435 H HN 0.446 nan 8.280 nan 0.000 0.619 436 I N 2.741 123.467 120.570 0.260 0.000 2.496 436 I HA 0.005 4.179 4.170 0.007 0.000 0.285 436 I C 1.111 177.349 176.117 0.201 0.000 1.080 436 I CA 0.023 61.445 61.300 0.203 0.000 1.404 436 I CB 0.344 38.461 38.000 0.195 0.000 1.403 436 I HN 0.397 nan 8.210 nan 0.000 0.539 437 M N 3.909 123.597 119.600 0.146 0.000 2.753 437 M HA 0.558 5.043 4.480 0.007 0.000 0.299 437 M C -0.667 175.716 176.300 0.138 0.000 1.219 437 M CA -0.770 54.623 55.300 0.155 0.000 0.900 437 M CB 0.691 33.347 32.600 0.093 0.000 1.628 437 M HN 0.240 nan 8.290 nan 0.000 0.502 438 D N 1.294 121.774 120.400 0.133 0.000 2.419 438 D HA 0.110 4.754 4.640 0.007 0.000 0.236 438 D C -0.247 176.089 176.300 0.059 0.000 1.165 438 D CA 0.981 55.033 54.000 0.087 0.000 0.882 438 D CB 0.052 40.896 40.800 0.074 0.000 1.201 438 D HN 0.837 nan 8.370 nan 0.000 0.443 439 N N 0.520 119.247 118.700 0.045 0.000 2.741 439 N HA -0.162 4.582 4.740 0.007 0.000 0.250 439 N C -1.285 174.234 175.510 0.016 0.000 1.115 439 N CA 0.707 53.774 53.050 0.029 0.000 0.724 439 N CB -0.880 37.621 38.487 0.023 0.000 1.090 439 N HN 0.406 nan 8.380 nan 0.000 0.558 440 D N 0.042 120.454 120.400 0.020 0.000 2.283 440 D HA 0.329 4.973 4.640 0.007 0.000 0.248 440 D C -2.158 174.137 176.300 -0.007 0.000 1.072 440 D CA -1.190 52.801 54.000 -0.015 0.000 0.929 440 D CB 0.776 41.565 40.800 -0.018 0.000 1.182 440 D HN 0.067 nan 8.370 nan 0.000 0.433 441 P HA 0.179 nan 4.420 nan 0.000 0.297 441 P C -0.848 176.463 177.300 0.018 0.000 1.331 441 P CA -0.560 62.537 63.100 -0.006 0.000 0.803 441 P CB 1.005 32.687 31.700 -0.030 0.000 0.929 442 V N 2.051 122.013 119.914 0.079 0.000 2.789 442 V HA 0.457 4.581 4.120 0.007 0.000 0.311 442 V C -0.237 175.969 176.094 0.188 0.000 1.073 442 V CA -1.259 61.113 62.300 0.120 0.000 0.921 442 V CB 2.230 34.132 31.823 0.132 0.000 1.009 442 V HN 0.373 nan 8.190 nan 0.000 0.426 443 L N 3.832 125.175 121.223 0.200 0.000 2.416 443 L HA 0.502 4.847 4.340 0.007 0.000 0.272 443 L C -1.121 175.935 176.870 0.310 0.000 1.161 443 L CA -0.168 54.819 54.840 0.244 0.000 0.845 443 L CB 1.004 43.184 42.059 0.202 0.000 1.119 443 L HN 0.871 nan 8.230 nan 0.000 0.464 444 F N 6.455 126.481 119.950 0.127 0.000 2.716 444 F HA 0.336 4.867 4.527 0.007 0.000 0.354 444 F C -0.304 175.531 175.800 0.059 0.000 1.168 444 F CA -0.864 57.117 58.000 -0.031 0.000 1.045 444 F CB 0.691 39.564 39.000 -0.212 0.000 1.311 444 F HN 0.529 nan 8.300 nan 0.000 0.477 445 N N 5.010 123.546 118.700 -0.273 0.000 2.471 445 N HA 0.533 5.277 4.740 0.007 0.000 0.288 445 N C -1.553 173.746 175.510 -0.351 0.000 1.220 445 N CA -0.797 52.183 53.050 -0.117 0.000 0.893 445 N CB 2.476 40.991 38.487 0.047 0.000 1.256 445 N HN 0.727 nan 8.380 nan 0.000 0.534 446 R N 0.460 120.901 120.500 -0.099 0.000 2.575 446 R HA 0.177 4.521 4.340 0.007 0.000 0.293 446 R C -0.885 175.391 176.300 -0.040 0.000 0.983 446 R CA -0.540 55.480 56.100 -0.133 0.000 0.887 446 R CB 1.411 31.654 30.300 -0.096 0.000 1.184 446 R HN 0.749 nan 8.270 nan 0.000 0.445 447 Q N 4.836 124.600 119.800 -0.061 0.000 2.230 447 Q HA 0.480 4.824 4.340 0.007 0.000 0.253 447 Q C -2.247 173.729 176.000 -0.041 0.000 0.919 447 Q CA -2.104 53.676 55.803 -0.038 0.000 0.908 447 Q CB 1.904 30.623 28.738 -0.031 0.000 1.245 447 Q HN 0.406 nan 8.270 nan 0.000 0.437 448 P HA 0.120 nan 4.420 nan 0.000 0.286 448 P C -0.809 176.467 177.300 -0.040 0.000 1.269 448 P CA -0.412 62.666 63.100 -0.036 0.000 0.787 448 P CB 0.942 32.618 31.700 -0.041 0.000 0.920 449 S N 3.485 119.166 115.700 -0.033 0.000 3.072 449 S HA 0.185 4.659 4.470 0.007 0.000 0.306 449 S C 0.654 175.212 174.600 -0.070 0.000 1.207 449 S CA -0.430 57.753 58.200 -0.029 0.000 1.008 449 S CB -0.715 62.480 63.200 -0.008 0.000 1.390 449 S HN 0.352 nan 8.310 nan 0.000 0.523 450 L N 4.844 125.983 121.223 -0.140 0.000 2.449 450 L HA 0.502 4.847 4.340 0.007 0.000 0.255 450 L C 0.214 176.808 176.870 -0.461 0.000 1.167 450 L CA -0.035 54.640 54.840 -0.274 0.000 1.090 450 L CB -0.677 41.172 42.059 -0.348 0.000 1.385 450 L HN 0.741 nan 8.230 nan 0.000 0.411 451 H N -1.146 117.884 119.070 -0.067 0.000 2.880 451 H HA 0.004 4.564 4.556 0.007 0.000 0.246 451 H C -0.098 175.182 175.328 -0.081 0.000 1.405 451 H CA -0.892 55.105 56.048 -0.086 0.000 1.161 451 H CB 0.874 30.575 29.762 -0.101 0.000 1.777 451 H HN 0.072 nan 8.280 nan 0.000 0.423 452 K N 0.338 120.786 120.400 0.081 0.000 2.025 452 K HA -0.028 4.297 4.320 0.007 0.000 0.207 452 K C 1.135 177.724 176.600 -0.018 0.000 1.049 452 K CA 1.801 58.085 56.287 -0.006 0.000 0.933 452 K CB -0.002 32.459 32.500 -0.065 0.000 0.714 452 K HN 0.361 nan 8.250 nan 0.000 0.438 453 M N 0.493 120.050 119.600 -0.071 0.000 2.633 453 M HA 0.017 4.502 4.480 0.007 0.000 0.226 453 M C 0.690 176.851 176.300 -0.232 0.000 1.137 453 M CA 0.535 55.701 55.300 -0.224 0.000 1.020 453 M CB 0.576 32.919 32.600 -0.429 0.000 1.675 453 M HN -0.144 nan 8.290 nan 0.000 0.500 454 S N 0.363 116.046 115.700 -0.029 0.000 2.583 454 S HA 0.362 4.836 4.470 0.007 0.000 0.239 454 S C 0.367 175.026 174.600 0.098 0.000 0.966 454 S CA 0.081 58.276 58.200 -0.008 0.000 0.973 454 S CB 0.235 63.485 63.200 0.082 0.000 0.794 454 S HN 0.354 nan 8.310 nan 0.000 0.463 455 M N 1.993 121.621 119.600 0.048 0.000 2.769 455 M HA 0.363 4.847 4.480 0.007 0.000 0.309 455 M C -1.440 174.943 176.300 0.138 0.000 1.427 455 M CA 0.391 55.769 55.300 0.130 0.000 0.657 455 M CB 0.826 33.464 32.600 0.063 0.000 1.947 455 M HN 0.146 nan 8.290 nan 0.000 0.396 456 M N 1.094 120.865 119.600 0.286 0.000 2.383 456 M HA 0.673 5.157 4.480 0.007 0.000 0.325 456 M C 0.424 176.940 176.300 0.361 0.000 1.092 456 M CA -0.607 54.843 55.300 0.249 0.000 0.961 456 M CB 2.283 34.997 32.600 0.190 0.000 1.672 456 M HN 0.510 nan 8.290 nan 0.000 0.438 457 A N 2.508 125.433 122.820 0.175 0.000 2.386 457 A HA 0.448 4.772 4.320 0.007 0.000 0.248 457 A C -0.597 177.043 177.584 0.094 0.000 1.082 457 A CA 0.086 52.222 52.037 0.166 0.000 0.789 457 A CB 0.303 19.343 19.000 0.067 0.000 1.025 457 A HN 0.890 nan 8.150 nan 0.000 0.490 458 H N 0.154 119.260 119.070 0.060 0.000 2.946 458 H HA 0.381 4.941 4.556 0.007 0.000 0.365 458 H C -0.580 174.742 175.328 -0.010 0.000 1.197 458 H CA -0.709 55.340 56.048 0.003 0.000 1.131 458 H CB 1.698 31.401 29.762 -0.099 0.000 1.849 458 H HN 0.740 nan 8.280 nan 0.000 0.555 459 R N 0.655 121.210 120.500 0.092 0.000 2.457 459 R HA 0.424 4.769 4.340 0.007 0.000 0.284 459 R C -0.748 175.588 176.300 0.060 0.000 1.024 459 R CA -0.704 55.430 56.100 0.056 0.000 1.025 459 R CB 1.350 31.669 30.300 0.031 0.000 1.063 459 R HN 0.169 nan 8.270 nan 0.000 0.493 460 V N 2.784 122.728 119.914 0.050 0.000 2.435 460 V HA 0.321 4.445 4.120 0.007 0.000 0.290 460 V C -0.217 175.904 176.094 0.045 0.000 1.030 460 V CA -0.555 61.775 62.300 0.051 0.000 0.881 460 V CB 1.505 33.370 31.823 0.070 0.000 0.983 460 V HN 0.636 nan 8.190 nan 0.000 0.445 461 K N 4.039 124.459 120.400 0.033 0.000 2.579 461 K HA 0.520 4.844 4.320 0.007 0.000 0.250 461 K C -1.163 175.434 176.600 -0.006 0.000 0.952 461 K CA -0.576 55.724 56.287 0.021 0.000 0.857 461 K CB 1.839 34.351 32.500 0.019 0.000 1.123 461 K HN 0.500 nan 8.250 nan 0.000 0.433 462 V N 6.509 126.400 119.914 -0.037 0.000 2.485 462 V HA 0.099 4.224 4.120 0.007 0.000 0.287 462 V C 0.558 176.571 176.094 -0.134 0.000 1.022 462 V CA -0.041 62.178 62.300 -0.135 0.000 1.067 462 V CB -0.601 31.004 31.823 -0.363 0.000 0.967 462 V HN 0.640 nan 8.190 nan 0.000 0.479 463 I N 4.190 124.697 120.570 -0.105 0.000 2.910 463 I HA 0.779 4.953 4.170 0.007 0.000 0.310 463 I C -2.415 173.663 176.117 -0.066 0.000 1.043 463 I CA -2.716 58.550 61.300 -0.056 0.000 1.053 463 I CB 2.265 40.262 38.000 -0.005 0.000 1.242 463 I HN 0.344 nan 8.210 nan 0.000 0.452 464 P HA 0.241 nan 4.420 nan 0.000 0.275 464 P C -1.374 175.978 177.300 0.086 0.000 1.266 464 P CA 0.175 63.243 63.100 -0.054 0.000 0.793 464 P CB 0.286 31.957 31.700 -0.049 0.000 1.074 465 Y N -2.732 117.520 120.300 -0.079 0.000 2.518 465 Y HA -0.210 4.346 4.550 0.010 0.000 0.022 465 Y C 1.539 177.379 175.900 -0.100 0.000 1.713 465 Y CA 0.628 58.683 58.100 -0.075 0.000 1.411 465 Y CB -2.162 36.263 38.460 -0.058 0.000 2.057 465 Y HN 0.277 nan 8.280 nan 0.000 0.256 466 S N -0.884 114.855 115.700 0.065 0.000 2.558 466 S HA 0.029 4.503 4.470 0.007 0.000 0.217 466 S C 0.676 175.220 174.600 -0.093 0.000 0.975 466 S CA 0.501 58.673 58.200 -0.046 0.000 0.912 466 S CB -0.274 62.908 63.200 -0.031 0.000 0.776 466 S HN 0.749 nan 8.310 nan 0.000 0.526 467 T N 0.339 114.873 114.554 -0.033 0.000 2.868 467 T HA 0.480 4.835 4.350 0.007 0.000 0.292 467 T C -0.187 174.447 174.700 -0.110 0.000 1.028 467 T CA -0.563 61.525 62.100 -0.019 0.000 1.059 467 T CB 0.134 69.034 68.868 0.052 0.000 0.991 467 T HN 0.011 nan 8.240 nan 0.000 0.531 468 F N 1.756 121.743 119.950 0.062 0.000 2.472 468 F HA 0.359 4.891 4.527 0.008 0.000 0.364 468 F C 1.434 177.260 175.800 0.044 0.000 1.090 468 F CA -0.534 57.501 58.000 0.059 0.000 1.188 468 F CB 0.563 39.652 39.000 0.149 0.000 1.105 468 F HN 0.241 nan 8.300 nan 0.000 0.536 469 R N 4.416 125.018 120.500 0.170 0.000 2.428 469 R HA 0.735 5.080 4.340 0.007 0.000 0.294 469 R C -0.867 175.462 176.300 0.049 0.000 1.000 469 R CA -0.771 55.389 56.100 0.099 0.000 0.960 469 R CB 1.650 31.977 30.300 0.044 0.000 1.076 469 R HN 0.646 nan 8.270 nan 0.000 0.475 470 L N -0.628 120.642 121.223 0.078 0.000 2.600 470 L HA 0.529 4.873 4.340 0.007 0.000 0.257 470 L C -0.670 176.273 176.870 0.121 0.000 1.048 470 L CA -1.046 53.817 54.840 0.038 0.000 0.869 470 L CB 0.906 42.938 42.059 -0.045 0.000 1.482 470 L HN 0.281 nan 8.230 nan 0.000 0.408 471 N N 0.481 119.261 118.700 0.134 0.000 2.488 471 N HA 0.331 5.075 4.740 0.007 0.000 0.274 471 N C 0.901 176.503 175.510 0.152 0.000 1.111 471 N CA -0.110 53.018 53.050 0.131 0.000 0.974 471 N CB 1.189 39.752 38.487 0.127 0.000 1.089 471 N HN 0.854 nan 8.380 nan 0.000 0.465 472 L N 1.917 123.224 121.223 0.140 0.000 2.129 472 L HA -0.188 4.157 4.340 0.007 0.000 0.212 472 L C 2.037 178.948 176.870 0.069 0.000 1.087 472 L CA 1.039 55.976 54.840 0.162 0.000 0.757 472 L CB -0.321 41.803 42.059 0.108 0.000 0.896 472 L HN 0.470 nan 8.230 nan 0.000 0.434 473 S N -1.020 114.665 115.700 -0.024 0.000 2.522 473 S HA -0.003 4.472 4.470 0.007 0.000 0.227 473 S C 1.533 176.071 174.600 -0.103 0.000 0.986 473 S CA 0.437 58.534 58.200 -0.171 0.000 0.929 473 S CB 0.115 63.029 63.200 -0.476 0.000 0.769 473 S HN 0.208 nan 8.310 nan 0.000 0.529 474 V N 1.046 120.991 119.914 0.053 0.000 3.514 474 V HA 0.074 4.198 4.120 0.007 0.000 0.301 474 V C 2.031 178.271 176.094 0.244 0.000 1.346 474 V CA 0.594 62.999 62.300 0.174 0.000 1.156 474 V CB -0.564 31.466 31.823 0.345 0.000 1.029 474 V HN 0.411 nan 8.190 nan 0.000 0.428 475 T N 0.437 115.068 114.554 0.129 0.000 2.746 475 T HA -0.170 4.184 4.350 0.007 0.000 0.267 475 T C 2.136 176.889 174.700 0.087 0.000 1.039 475 T CA 2.407 64.560 62.100 0.088 0.000 1.142 475 T CB 0.017 68.904 68.868 0.032 0.000 0.866 475 T HN 0.570 nan 8.240 nan 0.000 0.444 476 S N 1.448 117.177 115.700 0.047 0.000 2.377 476 S HA 0.023 4.497 4.470 0.007 0.000 0.223 476 S C -0.455 174.159 174.600 0.022 0.000 1.030 476 S CA 0.988 59.200 58.200 0.021 0.000 0.970 476 S CB -0.858 62.337 63.200 -0.008 0.000 0.830 476 S HN 0.585 nan 8.310 nan 0.000 0.473 477 P HA 0.001 nan 4.420 nan 0.000 0.225 477 P C 0.456 177.704 177.300 -0.085 0.000 1.156 477 P CA 1.032 64.073 63.100 -0.098 0.000 0.787 477 P CB -0.105 31.448 31.700 -0.244 0.000 0.802 478 Y N -0.778 119.554 120.300 0.054 0.000 2.448 478 Y HA 0.144 4.699 4.550 0.008 0.000 0.289 478 Y C 0.781 176.675 175.900 -0.010 0.000 1.114 478 Y CA 0.223 58.340 58.100 0.028 0.000 1.235 478 Y CB -0.719 37.748 38.460 0.012 0.000 1.045 478 Y HN -0.066 nan 8.280 nan 0.000 0.554 479 N N 0.262 119.037 118.700 0.124 0.000 2.573 479 N HA -0.137 4.607 4.740 0.007 0.000 0.275 479 N C -1.132 174.375 175.510 -0.005 0.000 1.208 479 N CA 0.563 53.636 53.050 0.039 0.000 0.688 479 N CB -0.944 37.556 38.487 0.021 0.000 0.882 479 N HN 0.393 nan 8.380 nan 0.000 0.548 480 A N 1.337 124.124 122.820 -0.056 0.000 2.413 480 A HA 0.753 5.077 4.320 0.007 0.000 0.307 480 A C -0.372 177.049 177.584 -0.272 0.000 1.087 480 A CA -0.690 51.249 52.037 -0.163 0.000 0.750 480 A CB 1.339 20.214 19.000 -0.209 0.000 1.296 480 A HN 0.372 nan 8.150 nan 0.000 0.423 481 D N -0.554 119.670 120.400 -0.294 0.000 2.627 481 D HA 0.566 5.210 4.640 0.007 0.000 0.259 481 D C -0.340 175.590 176.300 -0.617 0.000 1.164 481 D CA 0.004 53.797 54.000 -0.346 0.000 1.087 481 D CB 0.514 41.246 40.800 -0.114 0.000 1.217 481 D HN 0.342 nan 8.370 nan 0.000 0.630 482 F N -0.034 119.921 119.950 0.007 0.000 2.688 482 F HA 0.070 4.601 4.527 0.007 0.000 0.310 482 F C 1.217 177.017 175.800 0.002 0.000 1.098 482 F CA -0.472 57.531 58.000 0.006 0.000 1.228 482 F CB 0.115 39.116 39.000 0.003 0.000 1.042 482 F HN 0.061 nan 8.300 nan 0.000 0.557 483 D N -0.074 120.388 120.400 0.104 0.000 2.368 483 D HA 0.090 4.735 4.640 0.007 0.000 0.250 483 D C 1.739 178.064 176.300 0.041 0.000 1.142 483 D CA 0.970 55.008 54.000 0.063 0.000 0.925 483 D CB -0.381 40.437 40.800 0.030 0.000 0.896 483 D HN 0.398 nan 8.370 nan 0.000 0.525 484 G N -0.117 108.713 108.800 0.050 0.000 2.175 484 G HA2 -0.220 3.744 3.960 0.007 0.000 0.182 484 G HA3 -0.220 3.744 3.960 0.007 0.000 0.182 484 G C -0.545 174.362 174.900 0.011 0.000 1.003 484 G CA -0.339 44.782 45.100 0.035 0.000 0.666 484 G HN 0.370 nan 8.290 nan 0.000 0.506 485 D N 1.399 121.790 120.400 -0.016 0.000 2.520 485 D HA 0.374 5.019 4.640 0.007 0.000 0.243 485 D C 0.732 177.016 176.300 -0.027 0.000 1.160 485 D CA 0.795 54.767 54.000 -0.047 0.000 0.877 485 D CB 0.665 41.403 40.800 -0.104 0.000 1.150 485 D HN 0.491 nan 8.370 nan 0.000 0.494 486 E N 1.635 121.817 120.200 -0.030 0.000 2.314 486 E HA 0.560 4.915 4.350 0.007 0.000 0.262 486 E C -0.556 175.989 176.600 -0.091 0.000 1.093 486 E CA -0.652 55.736 56.400 -0.019 0.000 0.908 486 E CB 1.077 30.772 29.700 -0.009 0.000 1.091 486 E HN 0.381 nan 8.360 nan 0.000 0.425 487 M N 1.768 121.295 119.600 -0.121 0.000 2.421 487 M HA 0.305 4.789 4.480 0.007 0.000 0.287 487 M C -1.626 174.403 176.300 -0.453 0.000 1.183 487 M CA -0.662 54.429 55.300 -0.349 0.000 0.916 487 M CB 1.911 34.194 32.600 -0.529 0.000 1.701 487 M HN 0.355 nan 8.290 nan 0.000 0.470 488 N N 2.278 120.667 118.700 -0.518 0.000 2.515 488 N HA 0.770 5.514 4.740 0.007 0.000 0.279 488 N C -1.646 173.469 175.510 -0.659 0.000 1.164 488 N CA -0.328 52.442 53.050 -0.465 0.000 0.982 488 N CB 1.432 39.748 38.487 -0.286 0.000 1.170 488 N HN 0.610 nan 8.380 nan 0.000 0.474 489 L N 1.111 122.037 121.223 -0.495 0.000 2.464 489 L HA 0.439 4.783 4.340 0.007 0.000 0.266 489 L C -1.500 175.195 176.870 -0.292 0.000 0.965 489 L CA -0.601 54.078 54.840 -0.270 0.000 0.833 489 L CB 1.194 43.171 42.059 -0.136 0.000 1.296 489 L HN 0.570 nan 8.230 nan 0.000 0.405 490 H N 3.845 122.963 119.070 0.081 0.000 2.524 490 H HA 0.603 5.164 4.556 0.007 0.000 0.353 490 H C -1.138 174.267 175.328 0.129 0.000 1.136 490 H CA -0.648 55.467 56.048 0.111 0.000 1.193 490 H CB 2.555 32.367 29.762 0.083 0.000 1.558 490 H HN 0.356 nan 8.280 nan 0.000 0.515 491 V N 4.905 124.975 119.914 0.260 0.000 2.409 491 V HA 0.209 4.333 4.120 0.007 0.000 0.291 491 V C -1.830 174.335 176.094 0.118 0.000 1.020 491 V CA -1.567 60.838 62.300 0.174 0.000 0.848 491 V CB 1.597 33.531 31.823 0.185 0.000 0.990 491 V HN 0.643 nan 8.190 nan 0.000 0.430 492 P HA 0.168 nan 4.420 nan 0.000 0.278 492 P C -0.386 176.961 177.300 0.078 0.000 1.270 492 P CA 0.078 63.209 63.100 0.052 0.000 0.800 492 P CB 0.982 32.690 31.700 0.014 0.000 1.142 493 Q N -2.051 117.822 119.800 0.121 0.000 1.985 493 Q HA 0.109 4.453 4.340 0.007 0.000 0.221 493 Q C 0.266 176.370 176.000 0.173 0.000 0.728 493 Q CA 0.295 56.158 55.803 0.101 0.000 0.882 493 Q CB 0.358 29.031 28.738 -0.109 0.000 1.203 493 Q HN 0.630 nan 8.270 nan 0.000 0.441 494 S N -0.519 115.298 115.700 0.196 0.000 2.532 494 S HA 0.439 4.913 4.470 0.007 0.000 0.301 494 S C 0.759 175.487 174.600 0.214 0.000 1.083 494 S CA -0.483 57.825 58.200 0.179 0.000 1.025 494 S CB 2.781 66.034 63.200 0.088 0.000 1.056 494 S HN -0.067 nan 8.310 nan 0.000 0.494 495 E N 1.461 121.787 120.200 0.211 0.000 2.077 495 E HA -0.161 4.194 4.350 0.007 0.000 0.193 495 E C 1.592 178.238 176.600 0.077 0.000 0.989 495 E CA 1.942 58.434 56.400 0.154 0.000 0.800 495 E CB -0.311 29.480 29.700 0.151 0.000 0.746 495 E HN 0.833 nan 8.360 nan 0.000 0.452 496 E N -0.783 119.461 120.200 0.074 0.000 2.070 496 E HA -0.191 4.163 4.350 0.007 0.000 0.197 496 E C 2.035 178.658 176.600 0.038 0.000 1.004 496 E CA 1.773 58.204 56.400 0.052 0.000 0.805 496 E CB -0.191 29.540 29.700 0.052 0.000 0.744 496 E HN 0.298 nan 8.360 nan 0.000 0.451 497 T N 0.702 115.282 114.554 0.042 0.000 2.788 497 T HA -0.119 4.235 4.350 0.007 0.000 0.268 497 T C 1.774 176.481 174.700 0.011 0.000 1.044 497 T CA 0.896 63.013 62.100 0.028 0.000 1.139 497 T CB -0.134 68.757 68.868 0.038 0.000 0.867 497 T HN 0.120 nan 8.240 nan 0.000 0.454 498 R N 0.777 121.277 120.500 -0.001 0.000 2.120 498 R HA 0.003 4.348 4.340 0.007 0.000 0.234 498 R C 2.747 179.032 176.300 -0.025 0.000 1.123 498 R CA 1.166 57.237 56.100 -0.047 0.000 0.975 498 R CB -0.403 29.831 30.300 -0.110 0.000 0.866 498 R HN 0.385 nan 8.270 nan 0.000 0.446 499 A N 1.067 123.886 122.820 -0.002 0.000 1.841 499 A HA -0.199 4.125 4.320 0.007 0.000 0.214 499 A C 1.904 179.488 177.584 0.000 0.000 1.195 499 A CA 1.287 53.325 52.037 0.002 0.000 0.611 499 A CB -0.458 18.552 19.000 0.016 0.000 0.835 499 A HN 0.347 nan 8.150 nan 0.000 0.443 500 E N -0.731 119.472 120.200 0.005 0.000 2.515 500 E HA -0.082 4.273 4.350 0.007 0.000 0.201 500 E C 1.346 177.945 176.600 -0.003 0.000 1.071 500 E CA 0.166 56.566 56.400 0.001 0.000 0.880 500 E CB -0.007 29.695 29.700 0.002 0.000 0.828 500 E HN 0.427 nan 8.360 nan 0.000 0.540 501 L N -0.096 121.127 121.223 0.000 0.000 2.286 501 L HA 0.017 4.362 4.340 0.007 0.000 0.203 501 L C 2.241 179.112 176.870 0.001 0.000 1.068 501 L CA 1.367 56.212 54.840 0.008 0.000 0.811 501 L CB -0.419 41.650 42.059 0.016 0.000 0.989 501 L HN 0.175 nan 8.230 nan 0.000 0.467 502 S N -2.200 113.495 115.700 -0.008 0.000 2.556 502 S HA 0.047 4.521 4.470 0.007 0.000 0.216 502 S C 1.353 175.941 174.600 -0.020 0.000 0.970 502 S CA -0.193 57.998 58.200 -0.015 0.000 0.912 502 S CB 0.372 63.562 63.200 -0.017 0.000 0.790 502 S HN 0.327 nan 8.310 nan 0.000 0.504 503 Q N -0.136 119.653 119.800 -0.018 0.000 2.378 503 Q HA 0.388 4.732 4.340 0.007 0.000 0.229 503 Q C 0.949 176.930 176.000 -0.033 0.000 0.882 503 Q CA 0.272 56.062 55.803 -0.023 0.000 0.936 503 Q CB 0.145 28.874 28.738 -0.014 0.000 1.092 503 Q HN 0.408 nan 8.270 nan 0.000 0.535 504 L N -1.287 119.918 121.223 -0.030 0.000 2.600 504 L HA 0.115 4.460 4.340 0.007 0.000 0.213 504 L C 1.715 178.563 176.870 -0.036 0.000 1.045 504 L CA 0.878 55.694 54.840 -0.039 0.000 0.863 504 L CB -0.284 41.754 42.059 -0.036 0.000 1.189 504 L HN 0.085 nan 8.230 nan 0.000 0.484 505 C N -0.153 119.134 119.300 -0.021 0.000 2.780 505 C HA 0.540 5.004 4.460 0.007 0.000 0.267 505 C C 1.423 176.404 174.990 -0.015 0.000 1.266 505 C CA -0.840 58.172 59.018 -0.011 0.000 1.709 505 C CB -0.867 26.884 27.740 0.019 0.000 1.975 505 C HN 0.354 nan 8.230 nan 0.000 0.582 506 A N 1.123 123.925 122.820 -0.029 0.000 2.540 506 A HA 0.310 4.634 4.320 0.007 0.000 0.239 506 A C 1.431 178.970 177.584 -0.074 0.000 1.061 506 A CA 0.251 52.259 52.037 -0.049 0.000 0.758 506 A CB 0.294 19.265 19.000 -0.047 0.000 0.991 506 A HN 0.239 nan 8.150 nan 0.000 0.502 507 V N 3.789 123.628 119.914 -0.126 0.000 2.282 507 V HA -0.197 3.927 4.120 0.007 0.000 0.249 507 V C -0.335 175.718 176.094 -0.068 0.000 1.057 507 V CA 2.790 65.014 62.300 -0.127 0.000 1.032 507 V CB -1.512 30.166 31.823 -0.242 0.000 0.645 507 V HN 0.828 nan 8.190 nan 0.000 0.447 508 P HA -0.135 nan 4.420 nan 0.000 0.215 508 P C 1.904 179.167 177.300 -0.062 0.000 1.153 508 P CA 1.337 64.407 63.100 -0.051 0.000 0.853 508 P CB -0.094 31.570 31.700 -0.061 0.000 0.788 509 L N -0.961 120.223 121.223 -0.066 0.000 2.187 509 L HA -0.195 4.149 4.340 0.007 0.000 0.213 509 L C 2.118 178.937 176.870 -0.085 0.000 1.100 509 L CA 1.291 56.087 54.840 -0.073 0.000 0.765 509 L CB -0.737 41.282 42.059 -0.066 0.000 0.904 509 L HN 0.007 nan 8.230 nan 0.000 0.437 510 Q N -0.621 119.131 119.800 -0.080 0.000 2.403 510 Q HA 0.125 4.469 4.340 0.007 0.000 0.203 510 Q C 2.066 178.012 176.000 -0.091 0.000 0.932 510 Q CA 0.422 56.168 55.803 -0.095 0.000 0.945 510 Q CB 0.383 29.058 28.738 -0.105 0.000 1.045 510 Q HN 0.590 nan 8.270 nan 0.000 0.511 511 I N -0.375 120.157 120.570 -0.063 0.000 2.142 511 I HA -0.138 4.036 4.170 0.007 0.000 0.240 511 I C 1.185 177.265 176.117 -0.061 0.000 1.078 511 I CA 0.731 62.019 61.300 -0.020 0.000 1.343 511 I CB 0.012 38.023 38.000 0.018 0.000 1.046 511 I HN -0.073 nan 8.210 nan 0.000 0.405 512 V N 1.872 121.713 119.914 -0.121 0.000 2.389 512 V HA 0.149 4.273 4.120 0.007 0.000 0.264 512 V C 0.295 176.309 176.094 -0.133 0.000 1.049 512 V CA -0.149 62.050 62.300 -0.169 0.000 0.932 512 V CB 0.834 32.481 31.823 -0.292 0.000 1.011 512 V HN 0.257 nan 8.190 nan 0.000 0.475 513 S N 8.794 124.436 115.700 -0.097 0.000 2.523 513 S HA 0.495 4.970 4.470 0.007 0.000 0.275 513 S C -1.326 173.246 174.600 -0.047 0.000 1.281 513 S CA -1.196 56.945 58.200 -0.098 0.000 1.050 513 S CB 1.443 64.572 63.200 -0.119 0.000 0.937 513 S HN 0.806 nan 8.310 nan 0.000 0.492 514 P HA -0.010 nan 4.420 nan 0.000 0.252 514 P C 0.539 177.931 177.300 0.154 0.000 1.265 514 P CA 0.407 63.545 63.100 0.062 0.000 0.775 514 P CB 0.102 31.834 31.700 0.055 0.000 1.128 515 Q N 0.371 120.199 119.800 0.046 0.000 2.274 515 Q HA 0.071 4.416 4.340 0.007 0.000 0.198 515 Q C 0.852 176.880 176.000 0.047 0.000 0.955 515 Q CA 0.921 56.741 55.803 0.029 0.000 0.859 515 Q CB 0.236 28.932 28.738 -0.070 0.000 0.956 515 Q HN 0.013 nan 8.270 nan 0.000 0.516 516 S N 2.067 117.775 115.700 0.014 0.000 2.624 516 S HA 0.100 4.575 4.470 0.007 0.000 0.246 516 S C -0.588 174.101 174.600 0.149 0.000 1.072 516 S CA 0.070 58.267 58.200 -0.005 0.000 1.045 516 S CB -0.041 63.179 63.200 0.034 0.000 0.851 516 S HN 0.662 nan 8.310 nan 0.000 0.480 517 N N 2.353 121.144 118.700 0.151 0.000 2.704 517 N HA -0.304 4.440 4.740 0.007 0.000 0.259 517 N C -0.418 175.259 175.510 0.278 0.000 0.957 517 N CA 1.351 54.527 53.050 0.210 0.000 0.804 517 N CB -1.641 37.002 38.487 0.259 0.000 0.917 517 N HN 0.789 nan 8.380 nan 0.000 0.545 518 K N -3.650 116.871 120.400 0.201 0.000 2.548 518 K HA 0.633 4.957 4.320 0.007 0.000 0.282 518 K C -3.400 173.253 176.600 0.088 0.000 1.006 518 K CA -2.129 54.313 56.287 0.259 0.000 0.892 518 K CB 1.993 34.642 32.500 0.248 0.000 1.499 518 K HN -0.114 nan 8.250 nan 0.000 0.433 519 P HA 0.030 nan 4.420 nan 0.000 0.271 519 P C 0.705 178.016 177.300 0.020 0.000 1.216 519 P CA -0.494 62.614 63.100 0.013 0.000 0.776 519 P CB 0.871 32.603 31.700 0.054 0.000 0.881 520 C N 1.695 120.983 119.300 -0.019 0.000 2.551 520 C HA 0.278 4.743 4.460 0.007 0.000 0.277 520 C C 1.358 176.327 174.990 -0.034 0.000 1.349 520 C CA -0.054 58.941 59.018 -0.039 0.000 1.750 520 C CB -1.126 26.551 27.740 -0.104 0.000 2.058 520 C HN 0.389 nan 8.230 nan 0.000 0.518 521 M N 1.282 120.867 119.600 -0.026 0.000 2.363 521 M HA 0.654 5.139 4.480 0.007 0.000 0.280 521 M C 0.548 176.788 176.300 -0.101 0.000 1.182 521 M CA 1.028 56.278 55.300 -0.083 0.000 0.974 521 M CB 1.108 33.642 32.600 -0.111 0.000 1.452 521 M HN 0.526 nan 8.290 nan 0.000 0.507 522 G N 0.048 108.695 108.800 -0.255 0.000 2.313 522 G HA2 0.420 4.384 3.960 0.007 0.000 0.296 522 G HA3 0.420 4.384 3.960 0.007 0.000 0.296 522 G C -2.146 172.610 174.900 -0.240 0.000 1.356 522 G CA -0.978 44.000 45.100 -0.204 0.000 0.833 522 G HN 0.482 nan 8.290 nan 0.000 0.552 523 I N 1.204 121.699 120.570 -0.124 0.000 2.308 523 I HA 0.442 4.616 4.170 0.007 0.000 0.293 523 I C 0.365 176.452 176.117 -0.050 0.000 1.078 523 I CA -0.021 61.227 61.300 -0.087 0.000 1.292 523 I CB 0.918 38.904 38.000 -0.024 0.000 1.423 523 I HN 0.318 nan 8.210 nan 0.000 0.493 524 V N 6.046 125.932 119.914 -0.045 0.000 3.019 524 V HA 0.601 4.725 4.120 0.007 0.000 0.317 524 V C 0.239 176.334 176.094 0.000 0.000 1.094 524 V CA -0.575 61.715 62.300 -0.016 0.000 1.000 524 V CB 1.707 33.527 31.823 -0.005 0.000 1.060 524 V HN 0.777 nan 8.190 nan 0.000 0.443 525 Q N 0.549 120.356 119.800 0.011 0.000 1.097 525 Q HA -0.264 4.081 4.340 0.007 0.000 0.315 525 Q C 1.025 177.028 176.000 0.005 0.000 1.024 525 Q CA 1.470 57.288 55.803 0.025 0.000 0.655 525 Q CB -1.297 27.470 28.738 0.047 0.000 4.546 525 Q HN 0.964 nan 8.270 nan 0.000 0.464 526 D N 0.184 120.591 120.400 0.011 0.000 2.157 526 D HA -0.150 4.494 4.640 0.007 0.000 0.191 526 D C 1.833 178.118 176.300 -0.025 0.000 1.004 526 D CA 2.674 56.671 54.000 -0.005 0.000 0.854 526 D CB -0.359 40.437 40.800 -0.008 0.000 0.936 526 D HN 0.562 nan 8.370 nan 0.000 0.446 527 T N 0.327 114.870 114.554 -0.019 0.000 2.708 527 T HA -0.155 4.199 4.350 0.007 0.000 0.266 527 T C 1.852 176.536 174.700 -0.027 0.000 1.037 527 T CA 0.846 62.935 62.100 -0.018 0.000 1.146 527 T CB -0.386 68.472 68.868 -0.015 0.000 0.865 527 T HN 0.060 nan 8.240 nan 0.000 0.435 528 L N 0.754 121.958 121.223 -0.033 0.000 2.109 528 L HA 0.130 4.475 4.340 0.007 0.000 0.207 528 L C 2.552 179.379 176.870 -0.071 0.000 1.086 528 L CA 1.215 56.030 54.840 -0.042 0.000 0.760 528 L CB -1.012 41.028 42.059 -0.031 0.000 0.910 528 L HN 0.415 nan 8.230 nan 0.000 0.437 529 C N -0.304 118.936 119.300 -0.100 0.000 2.446 529 C HA 0.113 4.577 4.460 0.007 0.000 0.279 529 C C 2.681 177.551 174.990 -0.201 0.000 1.366 529 C CA 0.555 59.452 59.018 -0.201 0.000 1.763 529 C CB -1.637 25.908 27.740 -0.324 0.000 1.929 529 C HN 0.687 nan 8.230 nan 0.000 0.509 530 G N -0.023 108.721 108.800 -0.093 0.000 2.396 530 G HA2 -0.077 3.887 3.960 0.007 0.000 0.214 530 G HA3 -0.077 3.887 3.960 0.007 0.000 0.214 530 G C 1.542 176.429 174.900 -0.021 0.000 1.166 530 G CA 0.736 45.853 45.100 0.029 0.000 0.793 530 G HN 0.549 nan 8.290 nan 0.000 0.533 531 I N 0.241 120.775 120.570 -0.060 0.000 2.567 531 I HA -0.089 4.085 4.170 0.007 0.000 0.257 531 I C 2.732 178.771 176.117 -0.130 0.000 1.184 531 I CA 0.867 62.107 61.300 -0.100 0.000 1.451 531 I CB 0.025 37.986 38.000 -0.065 0.000 1.089 531 I HN 0.141 nan 8.210 nan 0.000 0.441 532 R N 1.603 122.034 120.500 -0.114 0.000 2.055 532 R HA -0.157 4.187 4.340 0.007 0.000 0.226 532 R C 2.170 178.385 176.300 -0.140 0.000 1.135 532 R CA 1.647 57.678 56.100 -0.114 0.000 0.959 532 R CB -0.146 30.097 30.300 -0.094 0.000 0.854 532 R HN 0.378 nan 8.270 nan 0.000 0.431 533 K N 0.375 120.701 120.400 -0.123 0.000 2.418 533 K HA -0.043 4.281 4.320 0.007 0.000 0.195 533 K C 1.898 178.302 176.600 -0.326 0.000 1.035 533 K CA 0.537 56.773 56.287 -0.085 0.000 1.003 533 K CB -0.076 32.463 32.500 0.065 0.000 0.793 533 K HN 0.155 nan 8.250 nan 0.000 0.494 534 L N 1.240 122.108 121.223 -0.591 0.000 2.179 534 L HA 0.031 4.376 4.340 0.007 0.000 0.208 534 L C 1.854 178.329 176.870 -0.659 0.000 1.096 534 L CA 1.635 55.785 54.840 -1.151 0.000 0.779 534 L CB -0.264 41.232 42.059 -0.938 0.000 0.922 534 L HN 0.143 nan 8.230 nan 0.000 0.443 535 T N -0.220 114.102 114.554 -0.386 0.000 3.105 535 T HA 0.293 4.647 4.350 0.007 0.000 0.253 535 T C 0.768 175.338 174.700 -0.217 0.000 1.047 535 T CA -0.397 61.542 62.100 -0.268 0.000 0.944 535 T CB -0.403 68.350 68.868 -0.191 0.000 1.016 535 T HN 0.109 nan 8.240 nan 0.000 0.544 536 L N 0.906 121.994 121.223 -0.224 0.000 2.473 536 L HA 0.295 4.639 4.340 0.007 0.000 0.265 536 L C 2.001 178.729 176.870 -0.237 0.000 1.243 536 L CA -0.321 54.413 54.840 -0.178 0.000 0.822 536 L CB 0.384 42.361 42.059 -0.137 0.000 1.101 536 L HN 0.021 nan 8.230 nan 0.000 0.507 537 R N 0.200 120.588 120.500 -0.187 0.000 2.075 537 R HA -0.155 4.190 4.340 0.007 0.000 0.232 537 R C 1.488 177.527 176.300 -0.435 0.000 1.126 537 R CA 1.606 57.563 56.100 -0.238 0.000 0.963 537 R CB -0.220 30.028 30.300 -0.086 0.000 0.858 537 R HN 0.683 nan 8.270 nan 0.000 0.435 538 D N 0.248 120.495 120.400 -0.255 0.000 2.144 538 D HA -0.103 4.542 4.640 0.007 0.000 0.200 538 D C 0.463 176.606 176.300 -0.262 0.000 0.978 538 D CA 0.923 54.829 54.000 -0.156 0.000 0.833 538 D CB 0.066 40.849 40.800 -0.028 0.000 0.961 538 D HN 0.035 nan 8.370 nan 0.000 0.470 539 T N -0.561 113.799 114.554 -0.323 0.000 2.752 539 T HA 0.273 4.627 4.350 0.007 0.000 0.295 539 T C -0.629 173.819 174.700 -0.420 0.000 0.923 539 T CA -0.418 61.555 62.100 -0.212 0.000 1.112 539 T CB -0.405 68.358 68.868 -0.175 0.000 0.884 539 T HN -0.115 nan 8.240 nan 0.000 0.525 540 F N 5.176 125.189 119.950 0.105 0.000 2.495 540 F HA 0.552 5.083 4.527 0.007 0.000 0.327 540 F C 0.387 176.295 175.800 0.180 0.000 1.103 540 F CA -1.557 56.515 58.000 0.119 0.000 0.949 540 F CB 1.624 40.688 39.000 0.106 0.000 1.142 540 F HN 0.578 nan 8.300 nan 0.000 0.457 541 I N 0.333 121.137 120.570 0.390 0.000 2.412 541 I HA 0.645 4.820 4.170 0.007 0.000 0.296 541 I C -0.491 175.842 176.117 0.360 0.000 0.987 541 I CA -0.656 60.847 61.300 0.338 0.000 1.180 541 I CB 1.625 39.783 38.000 0.263 0.000 1.340 541 I HN 0.717 nan 8.210 nan 0.000 0.455 542 E N 5.007 125.369 120.200 0.271 0.000 2.446 542 E HA 0.277 4.631 4.350 0.007 0.000 0.251 542 E C 0.609 177.278 176.600 0.114 0.000 1.087 542 E CA -0.891 55.677 56.400 0.280 0.000 0.937 542 E CB 1.137 30.970 29.700 0.223 0.000 1.254 542 E HN 0.578 nan 8.360 nan 0.000 0.479 543 L N 1.901 123.200 121.223 0.125 0.000 1.978 543 L HA -0.362 3.982 4.340 0.007 0.000 0.235 543 L C 1.778 178.577 176.870 -0.119 0.000 1.094 543 L CA 3.063 57.869 54.840 -0.056 0.000 0.814 543 L CB -1.140 40.964 42.059 0.074 0.000 0.911 543 L HN 1.009 nan 8.230 nan 0.000 0.442 544 D N -1.033 119.349 120.400 -0.030 0.000 1.708 544 D HA -0.454 4.191 4.640 0.007 0.000 0.603 544 D C 1.658 177.943 176.300 -0.026 0.000 0.756 544 D CA 2.704 56.693 54.000 -0.019 0.000 1.689 544 D CB -1.114 39.694 40.800 0.013 0.000 0.704 544 D HN 0.712 nan 8.370 nan 0.000 0.306 545 Q N -0.159 119.656 119.800 0.025 0.000 2.248 545 Q HA -0.107 4.237 4.340 0.007 0.000 0.208 545 Q C 2.531 178.560 176.000 0.048 0.000 0.984 545 Q CA 1.624 57.495 55.803 0.113 0.000 0.875 545 Q CB -0.014 28.836 28.738 0.185 0.000 0.910 545 Q HN 0.415 nan 8.270 nan 0.000 0.433 546 V N 0.137 119.973 119.914 -0.130 0.000 2.649 546 V HA -0.151 3.973 4.120 0.007 0.000 0.248 546 V C 1.889 177.760 176.094 -0.372 0.000 1.054 546 V CA 0.985 63.094 62.300 -0.319 0.000 1.073 546 V CB -0.170 31.213 31.823 -0.734 0.000 0.699 546 V HN 0.295 nan 8.190 nan 0.000 0.463 547 L N -0.168 120.870 121.223 -0.307 0.000 2.131 547 L HA -0.044 4.300 4.340 0.007 0.000 0.206 547 L C 2.398 179.109 176.870 -0.265 0.000 1.087 547 L CA 1.182 55.851 54.840 -0.285 0.000 0.767 547 L CB -0.702 41.242 42.059 -0.191 0.000 0.917 547 L HN 0.304 nan 8.230 nan 0.000 0.441 548 N N 0.192 118.776 118.700 -0.193 0.000 2.084 548 N HA -0.145 4.599 4.740 0.007 0.000 0.190 548 N C 1.953 177.302 175.510 -0.268 0.000 1.030 548 N CA 1.488 54.415 53.050 -0.205 0.000 0.849 548 N CB -0.176 38.200 38.487 -0.186 0.000 1.012 548 N HN 0.309 nan 8.380 nan 0.000 0.423 549 M N 0.364 119.781 119.600 -0.305 0.000 2.080 549 M HA -0.179 4.305 4.480 0.007 0.000 0.260 549 M C 1.871 178.018 176.300 -0.254 0.000 1.068 549 M CA 1.277 56.434 55.300 -0.239 0.000 1.109 549 M CB -0.316 32.217 32.600 -0.113 0.000 1.342 549 M HN 0.022 nan 8.290 nan 0.000 0.405 550 L N -0.905 120.041 121.223 -0.461 0.000 2.013 550 L HA -0.256 4.088 4.340 0.007 0.000 0.212 550 L C 2.395 178.778 176.870 -0.812 0.000 1.073 550 L CA 1.969 56.268 54.840 -0.901 0.000 0.753 550 L CB -1.362 39.862 42.059 -1.392 0.000 0.890 550 L HN 0.295 nan 8.230 nan 0.000 0.432 551 Y N -2.117 117.781 120.300 -0.669 0.000 2.421 551 Y HA -0.253 4.301 4.550 0.007 0.000 0.292 551 Y C 2.121 177.877 175.900 -0.239 0.000 1.136 551 Y CA 0.759 58.633 58.100 -0.378 0.000 1.255 551 Y CB -0.496 37.780 38.460 -0.306 0.000 0.991 551 Y HN 0.165 nan 8.280 nan 0.000 0.552 552 W N -0.206 120.872 121.300 -0.370 0.000 2.467 552 W HA 0.027 4.691 4.660 0.007 0.000 0.275 552 W C 0.463 176.843 176.519 -0.233 0.000 1.239 552 W CA 0.818 57.963 57.345 -0.334 0.000 1.266 552 W CB -0.119 29.144 29.460 -0.329 0.000 1.112 552 W HN -0.365 nan 8.180 nan 0.000 0.576 553 V N 3.535 123.466 119.914 0.028 0.000 2.508 553 V HA -0.007 4.117 4.120 0.007 0.000 0.281 553 V C -0.973 175.149 176.094 0.047 0.000 1.041 553 V CA -1.005 61.327 62.300 0.054 0.000 1.016 553 V CB 0.727 32.588 31.823 0.063 0.000 0.984 553 V HN -0.093 nan 8.190 nan 0.000 0.478 554 P HA 0.001 nan 4.420 nan 0.000 0.225 554 P C 0.346 177.688 177.300 0.070 0.000 1.156 554 P CA 0.694 63.801 63.100 0.010 0.000 0.787 554 P CB 0.382 32.078 31.700 -0.006 0.000 0.802 555 D N -1.537 118.923 120.400 0.099 0.000 2.395 555 D HA 0.037 4.681 4.640 0.007 0.000 0.226 555 D C -0.093 176.306 176.300 0.164 0.000 1.146 555 D CA -0.291 53.766 54.000 0.095 0.000 0.830 555 D CB -0.675 40.162 40.800 0.062 0.000 0.958 555 D HN 0.171 nan 8.370 nan 0.000 0.501 556 W N 3.239 124.541 121.300 0.002 0.000 2.266 556 W HA 0.104 4.769 4.660 0.007 0.000 0.317 556 W C 1.129 177.662 176.519 0.022 0.000 1.310 556 W CA -1.079 56.276 57.345 0.018 0.000 1.207 556 W CB 0.729 30.207 29.460 0.030 0.000 1.199 556 W HN -0.049 nan 8.180 nan 0.000 0.544 557 D N 3.443 123.607 120.400 -0.394 0.000 2.363 557 D HA 0.007 4.651 4.640 0.007 0.000 0.226 557 D C 1.374 177.195 176.300 -0.798 0.000 1.020 557 D CA 0.731 54.467 54.000 -0.440 0.000 0.892 557 D CB -0.335 40.321 40.800 -0.239 0.000 0.900 557 D HN 0.796 nan 8.370 nan 0.000 0.531 558 G N -0.187 107.508 108.800 -1.842 0.000 2.160 558 G HA2 -0.218 3.746 3.960 0.007 0.000 0.244 558 G HA3 -0.218 3.746 3.960 0.007 0.000 0.244 558 G C -0.036 174.213 174.900 -1.084 0.000 1.022 558 G CA 0.167 44.118 45.100 -1.916 0.000 0.741 558 G HN 0.377 nan 8.290 nan 0.000 0.508 559 V N 2.991 122.436 119.914 -0.781 0.000 2.305 559 V HA 0.325 4.450 4.120 0.007 0.000 0.275 559 V C 0.756 177.011 176.094 0.269 0.000 1.020 559 V CA -1.279 60.948 62.300 -0.120 0.000 0.811 559 V CB 1.101 32.867 31.823 -0.095 0.000 1.031 559 V HN 0.329 nan 8.190 nan 0.000 0.439 560 I N 6.963 127.772 120.570 0.399 0.000 2.919 560 I HA 0.056 4.231 4.170 0.007 0.000 0.299 560 I C -1.528 174.794 176.117 0.341 0.000 1.221 560 I CA -0.939 60.606 61.300 0.408 0.000 1.424 560 I CB -0.228 37.959 38.000 0.312 0.000 1.358 560 I HN 0.382 nan 8.210 nan 0.000 0.551 561 P HA 0.128 nan 4.420 nan 0.000 0.280 561 P C -0.280 177.258 177.300 0.397 0.000 1.244 561 P CA -0.320 62.984 63.100 0.339 0.000 0.784 561 P CB 0.359 32.257 31.700 0.331 0.000 0.913 562 T N 1.914 116.593 114.554 0.207 0.000 2.871 562 T HA 0.180 4.535 4.350 0.007 0.000 0.296 562 T C -1.934 172.721 174.700 -0.076 0.000 0.998 562 T CA -1.238 60.912 62.100 0.083 0.000 1.162 562 T CB -0.667 68.221 68.868 0.033 0.000 0.947 562 T HN 0.346 nan 8.240 nan 0.000 0.536 563 P HA 0.288 nan 4.420 nan 0.000 0.279 563 P C 0.770 177.786 177.300 -0.474 0.000 1.239 563 P CA -0.536 61.978 63.100 -0.977 0.000 0.789 563 P CB 0.997 31.640 31.700 -1.763 0.000 0.933 564 A N 4.620 127.253 122.820 -0.311 0.000 1.940 564 A HA -0.095 4.229 4.320 0.007 0.000 0.219 564 A C 1.284 178.768 177.584 -0.166 0.000 1.176 564 A CA 1.182 53.139 52.037 -0.133 0.000 0.631 564 A CB -0.766 18.238 19.000 0.006 0.000 0.814 564 A HN 0.591 nan 8.150 nan 0.000 0.446 565 I N -0.627 119.790 120.570 -0.255 0.000 2.412 565 I HA 0.348 4.522 4.170 0.007 0.000 0.296 565 I C -0.218 175.728 176.117 -0.285 0.000 0.987 565 I CA -0.229 60.924 61.300 -0.246 0.000 1.180 565 I CB 1.789 39.621 38.000 -0.281 0.000 1.340 565 I HN 0.135 nan 8.210 nan 0.000 0.455 566 I N 5.488 125.938 120.570 -0.199 0.000 3.817 566 I HA 0.079 4.254 4.170 0.007 0.000 0.322 566 I C 0.642 176.693 176.117 -0.111 0.000 1.512 566 I CA -0.334 60.866 61.300 -0.166 0.000 1.066 566 I CB -0.088 37.829 38.000 -0.138 0.000 1.336 566 I HN 0.536 nan 8.210 nan 0.000 0.539 567 K N 1.009 121.341 120.400 -0.112 0.000 2.731 567 K HA 0.488 4.812 4.320 0.007 0.000 0.284 567 K C -1.488 175.071 176.600 -0.069 0.000 1.027 567 K CA -0.895 55.343 56.287 -0.082 0.000 1.040 567 K CB -0.828 31.621 32.500 -0.086 0.000 1.334 567 K HN -0.341 nan 8.250 nan 0.000 0.498 568 P HA -0.303 nan 4.420 nan 0.000 0.232 568 P C -0.392 176.890 177.300 -0.030 0.000 1.135 568 P CA 1.946 65.023 63.100 -0.037 0.000 0.969 568 P CB -0.002 31.675 31.700 -0.038 0.000 0.777 569 K N -1.562 118.812 120.400 -0.043 0.000 2.535 569 K HA 0.280 4.604 4.320 0.007 0.000 0.250 569 K C -3.140 173.432 176.600 -0.047 0.000 0.948 569 K CA -2.305 53.969 56.287 -0.021 0.000 0.796 569 K CB 2.350 34.852 32.500 0.004 0.000 1.216 569 K HN -0.200 nan 8.250 nan 0.000 0.432 570 P HA 0.201 nan 4.420 nan 0.000 0.271 570 P C -1.088 176.180 177.300 -0.052 0.000 1.226 570 P CA -0.349 62.664 63.100 -0.145 0.000 0.765 570 P CB 0.644 32.266 31.700 -0.130 0.000 0.835 571 L N 3.869 124.983 121.223 -0.181 0.000 2.401 571 L HA 0.527 4.871 4.340 0.007 0.000 0.266 571 L C -0.157 176.749 176.870 0.060 0.000 0.991 571 L CA -0.381 54.527 54.840 0.113 0.000 0.818 571 L CB 1.819 43.880 42.059 0.004 0.000 1.321 571 L HN 0.399 nan 8.230 nan 0.000 0.413 572 W N 1.142 122.525 121.300 0.137 0.000 2.512 572 W HA 0.553 5.217 4.660 0.008 0.000 0.335 572 W C 0.348 177.008 176.519 0.234 0.000 1.088 572 W CA -0.782 56.653 57.345 0.151 0.000 1.236 572 W CB 2.184 31.703 29.460 0.099 0.000 1.307 572 W HN 0.548 nan 8.180 nan 0.000 0.567 573 S N 0.173 116.110 115.700 0.394 0.000 2.601 573 S HA 0.324 4.798 4.470 0.007 0.000 0.271 573 S C 1.125 175.759 174.600 0.057 0.000 1.305 573 S CA -0.000 58.325 58.200 0.209 0.000 1.022 573 S CB 1.611 64.890 63.200 0.132 0.000 0.940 573 S HN 0.646 nan 8.310 nan 0.000 0.525 574 G N 1.726 110.451 108.800 -0.126 0.000 2.469 574 G HA2 -0.215 3.749 3.960 0.007 0.000 0.220 574 G HA3 -0.215 3.749 3.960 0.007 0.000 0.220 574 G C 1.299 176.111 174.900 -0.147 0.000 1.136 574 G CA 0.673 45.637 45.100 -0.226 0.000 0.759 574 G HN 0.794 nan 8.290 nan 0.000 0.562 575 K N -0.064 120.273 120.400 -0.104 0.000 2.097 575 K HA -0.082 4.243 4.320 0.007 0.000 0.206 575 K C 2.568 179.165 176.600 -0.004 0.000 1.049 575 K CA 1.079 57.328 56.287 -0.062 0.000 0.933 575 K CB -0.226 32.245 32.500 -0.048 0.000 0.717 575 K HN 0.362 nan 8.250 nan 0.000 0.442 576 Q N 0.572 120.403 119.800 0.051 0.000 2.050 576 Q HA -0.169 4.175 4.340 0.007 0.000 0.202 576 Q C 2.169 178.241 176.000 0.120 0.000 0.980 576 Q CA 1.650 57.524 55.803 0.118 0.000 0.840 576 Q CB -0.162 28.706 28.738 0.216 0.000 0.898 576 Q HN 0.402 nan 8.270 nan 0.000 0.424 577 I N -2.107 118.515 120.570 0.086 0.000 2.852 577 I HA -0.083 4.092 4.170 0.007 0.000 0.264 577 I C 1.992 178.111 176.117 0.005 0.000 1.179 577 I CA 0.492 61.815 61.300 0.037 0.000 1.480 577 I CB -0.480 37.507 38.000 -0.022 0.000 1.111 577 I HN 0.045 nan 8.210 nan 0.000 0.441 578 L N 1.109 122.322 121.223 -0.015 0.000 2.046 578 L HA -0.102 4.243 4.340 0.007 0.000 0.208 578 L C 2.347 179.220 176.870 0.005 0.000 1.077 578 L CA 1.798 56.623 54.840 -0.024 0.000 0.747 578 L CB -0.867 41.156 42.059 -0.059 0.000 0.896 578 L HN 0.257 nan 8.230 nan 0.000 0.432 579 S N -1.099 114.612 115.700 0.019 0.000 2.493 579 S HA -0.121 4.354 4.470 0.007 0.000 0.243 579 S C 1.887 176.523 174.600 0.060 0.000 0.991 579 S CA 1.092 59.313 58.200 0.035 0.000 0.957 579 S CB -0.473 62.753 63.200 0.044 0.000 0.756 579 S HN 0.380 nan 8.310 nan 0.000 0.521 580 V N 1.359 121.315 119.914 0.071 0.000 2.667 580 V HA -0.101 4.023 4.120 0.007 0.000 0.252 580 V C 2.490 178.640 176.094 0.093 0.000 1.065 580 V CA 1.457 63.822 62.300 0.109 0.000 1.083 580 V CB -0.995 30.895 31.823 0.111 0.000 0.692 580 V HN 0.556 nan 8.190 nan 0.000 0.468 581 A N -0.141 122.713 122.820 0.056 0.000 1.930 581 A HA 0.089 4.413 4.320 0.007 0.000 0.215 581 A C 1.235 178.842 177.584 0.038 0.000 1.176 581 A CA 0.596 52.661 52.037 0.047 0.000 0.632 581 A CB -0.222 18.799 19.000 0.034 0.000 0.819 581 A HN 0.394 nan 8.150 nan 0.000 0.445 582 I N 1.727 122.316 120.570 0.033 0.000 2.505 582 I HA 0.151 4.325 4.170 0.007 0.000 0.287 582 I C -2.480 173.653 176.117 0.027 0.000 1.104 582 I CA -1.773 59.541 61.300 0.022 0.000 1.387 582 I CB 0.054 38.065 38.000 0.018 0.000 1.404 582 I HN 0.056 nan 8.210 nan 0.000 0.528 583 P HA 0.141 nan 4.420 nan 0.000 0.274 583 P C -0.565 176.739 177.300 0.008 0.000 1.256 583 P CA -0.518 62.588 63.100 0.010 0.000 0.795 583 P CB 0.500 32.194 31.700 -0.009 0.000 1.038 584 N N 0.277 118.979 118.700 0.004 0.000 2.525 584 N HA 0.318 5.062 4.740 0.007 0.000 0.271 584 N C 1.406 176.892 175.510 -0.041 0.000 1.194 584 N CA 0.736 53.786 53.050 -0.001 0.000 0.964 584 N CB 0.317 38.806 38.487 0.003 0.000 1.126 584 N HN 0.787 nan 8.380 nan 0.000 0.452 585 G N 0.203 108.961 108.800 -0.071 0.000 2.234 585 G HA2 -0.235 3.729 3.960 0.007 0.000 0.235 585 G HA3 -0.235 3.729 3.960 0.007 0.000 0.235 585 G C 0.003 174.691 174.900 -0.354 0.000 0.997 585 G CA -0.403 44.575 45.100 -0.203 0.000 0.623 585 G HN 0.486 nan 8.290 nan 0.000 0.514 586 I N 2.306 122.783 120.570 -0.154 0.000 2.471 586 I HA 0.324 4.498 4.170 0.007 0.000 0.286 586 I C 0.440 176.591 176.117 0.057 0.000 1.079 586 I CA -0.214 61.039 61.300 -0.079 0.000 1.398 586 I CB -0.025 37.970 38.000 -0.008 0.000 1.403 586 I HN 0.236 nan 8.210 nan 0.000 0.530 587 H N 6.241 125.314 119.070 0.005 0.000 2.658 587 H HA 0.513 5.074 4.556 0.007 0.000 0.337 587 H C -1.042 174.281 175.328 -0.008 0.000 1.009 587 H CA -0.933 55.114 56.048 -0.002 0.000 1.231 587 H CB 2.408 32.176 29.762 0.011 0.000 1.508 587 H HN 0.281 nan 8.280 nan 0.000 0.517 588 L N 3.096 124.371 121.223 0.086 0.000 2.409 588 L HA 0.317 4.661 4.340 0.007 0.000 0.272 588 L C -1.005 175.840 176.870 -0.043 0.000 0.980 588 L CA -0.310 54.538 54.840 0.013 0.000 0.826 588 L CB 1.957 44.003 42.059 -0.022 0.000 1.268 588 L HN 0.676 nan 8.230 nan 0.000 0.407 589 Q N 3.984 123.778 119.800 -0.010 0.000 2.290 589 Q HA 0.485 4.830 4.340 0.007 0.000 0.269 589 Q C -0.197 175.827 176.000 0.040 0.000 1.016 589 Q CA -0.489 55.312 55.803 -0.003 0.000 0.754 589 Q CB 1.853 30.672 28.738 0.134 0.000 1.247 589 Q HN 0.682 nan 8.270 nan 0.000 0.451 590 R N 2.288 122.753 120.500 -0.057 0.000 1.966 590 R HA 0.316 4.660 4.340 0.007 0.000 0.191 590 R C -0.528 175.893 176.300 0.203 0.000 1.542 590 R CA 0.080 56.192 56.100 0.019 0.000 1.210 590 R CB 0.361 30.622 30.300 -0.065 0.000 1.039 590 R HN 0.687 nan 8.270 nan 0.000 0.476 591 F N 1.392 121.372 119.950 0.049 0.000 2.117 591 F HA -0.228 4.304 4.527 0.007 0.000 0.474 591 F C 0.346 176.171 175.800 0.041 0.000 1.237 591 F CA 0.211 58.257 58.000 0.076 0.000 1.530 591 F CB -0.496 38.542 39.000 0.064 0.000 2.435 591 F HN 0.245 nan 8.300 nan 0.000 0.727 592 D N 1.292 121.804 120.400 0.187 0.000 2.443 592 D HA 0.219 4.863 4.640 0.007 0.000 0.249 592 D C 1.480 177.837 176.300 0.095 0.000 1.218 592 D CA 0.102 54.165 54.000 0.106 0.000 1.108 592 D CB 0.261 41.099 40.800 0.063 0.000 1.197 592 D HN 0.620 nan 8.370 nan 0.000 0.600 593 E N -0.637 119.598 120.200 0.058 0.000 2.021 593 E HA -0.085 4.269 4.350 0.007 0.000 0.200 593 E C 0.361 176.992 176.600 0.052 0.000 1.015 593 E CA 1.235 57.660 56.400 0.042 0.000 0.824 593 E CB -0.240 29.476 29.700 0.025 0.000 0.762 593 E HN 0.331 nan 8.360 nan 0.000 0.454 594 G N 0.293 109.126 108.800 0.055 0.000 3.678 594 G HA2 0.352 4.316 3.960 0.007 0.000 0.344 594 G HA3 0.352 4.316 3.960 0.007 0.000 0.344 594 G C -1.144 173.794 174.900 0.064 0.000 1.450 594 G CA -0.359 44.770 45.100 0.049 0.000 1.078 594 G HN -0.003 nan 8.290 nan 0.000 0.474 595 T N 0.784 115.405 114.554 0.110 0.000 2.879 595 T HA 0.584 4.938 4.350 0.007 0.000 0.290 595 T C 0.069 174.875 174.700 0.177 0.000 0.993 595 T CA -0.610 61.587 62.100 0.162 0.000 0.975 595 T CB 1.767 70.831 68.868 0.328 0.000 0.981 595 T HN 0.410 nan 8.240 nan 0.000 0.439 596 T N 0.819 115.412 114.554 0.065 0.000 3.954 596 T HA 0.324 4.679 4.350 0.007 0.000 0.226 596 T C 0.913 175.581 174.700 -0.054 0.000 1.049 596 T CA -0.716 61.409 62.100 0.041 0.000 1.481 596 T CB -0.787 68.077 68.868 -0.007 0.000 0.853 596 T HN 0.615 nan 8.240 nan 0.000 0.632 597 L N -0.629 120.561 121.223 -0.054 0.000 4.708 597 L HA -0.251 4.094 4.340 0.007 0.000 0.447 597 L C 1.036 177.644 176.870 -0.436 0.000 1.091 597 L CA 1.202 55.901 54.840 -0.236 0.000 0.937 597 L CB -1.104 40.965 42.059 0.017 0.000 1.771 597 L HN 0.548 nan 8.230 nan 0.000 1.002 598 L N -0.896 120.101 121.223 -0.376 0.000 3.184 598 L HA 0.197 4.541 4.340 0.007 0.000 0.283 598 L C 0.793 177.490 176.870 -0.289 0.000 1.218 598 L CA -0.060 54.600 54.840 -0.299 0.000 1.028 598 L CB 0.733 42.704 42.059 -0.147 0.000 1.400 598 L HN 0.187 nan 8.230 nan 0.000 0.591 599 S N 2.199 117.668 115.700 -0.385 0.000 3.739 599 S HA -0.118 4.357 4.470 0.007 0.000 0.205 599 S C -1.279 173.255 174.600 -0.110 0.000 0.611 599 S CA 0.026 58.089 58.200 -0.229 0.000 1.381 599 S CB -0.498 62.551 63.200 -0.252 0.000 1.448 599 S HN 0.380 nan 8.310 nan 0.000 0.358 600 P HA -0.037 nan 4.420 nan 0.000 0.226 600 P C 0.550 177.839 177.300 -0.018 0.000 1.153 600 P CA 0.927 64.004 63.100 -0.038 0.000 0.777 600 P CB 0.199 31.882 31.700 -0.028 0.000 0.794 601 K N -0.897 119.497 120.400 -0.011 0.000 2.387 601 K HA 0.093 4.417 4.320 0.007 0.000 0.203 601 K C -0.193 176.413 176.600 0.009 0.000 1.030 601 K CA -0.134 56.155 56.287 0.002 0.000 1.099 601 K CB 0.049 32.554 32.500 0.009 0.000 0.863 601 K HN -0.196 nan 8.250 nan 0.000 0.529 602 D N 1.686 122.092 120.400 0.011 0.000 2.705 602 D HA -0.165 4.479 4.640 0.007 0.000 0.240 602 D C -0.988 175.349 176.300 0.063 0.000 1.137 602 D CA 0.484 54.511 54.000 0.044 0.000 0.677 602 D CB -0.884 39.931 40.800 0.026 0.000 1.049 602 D HN 0.186 nan 8.370 nan 0.000 0.427 603 N N 0.117 118.858 118.700 0.069 0.000 2.493 603 N HA 0.575 5.320 4.740 0.007 0.000 0.275 603 N C 1.182 176.766 175.510 0.122 0.000 1.186 603 N CA 0.710 53.804 53.050 0.074 0.000 0.978 603 N CB 1.150 39.674 38.487 0.061 0.000 1.184 603 N HN 0.472 nan 8.380 nan 0.000 0.487 604 G N 0.373 109.209 108.800 0.059 0.000 2.645 604 G HA2 -0.207 3.757 3.960 0.007 0.000 0.246 604 G HA3 -0.207 3.757 3.960 0.007 0.000 0.246 604 G C -0.551 174.278 174.900 -0.117 0.000 1.322 604 G CA 0.337 45.432 45.100 -0.008 0.000 0.898 604 G HN 0.663 nan 8.290 nan 0.000 0.573 605 M N -1.305 118.096 119.600 -0.332 0.000 2.294 605 M HA 0.707 5.191 4.480 0.007 0.000 0.280 605 M C -1.905 173.956 176.300 -0.732 0.000 1.085 605 M CA -0.637 54.374 55.300 -0.482 0.000 0.969 605 M CB 1.830 34.277 32.600 -0.254 0.000 1.770 605 M HN 1.347 nan 8.290 nan 0.000 0.485 606 L N 6.436 127.034 121.223 -1.042 0.000 2.349 606 L HA 0.754 5.099 4.340 0.007 0.000 0.278 606 L C -1.832 174.777 176.870 -0.434 0.000 0.996 606 L CA -0.175 54.197 54.840 -0.779 0.000 0.825 606 L CB 1.596 43.017 42.059 -1.063 0.000 1.243 606 L HN 0.805 nan 8.230 nan 0.000 0.412 607 I N 6.799 127.228 120.570 -0.235 0.000 2.495 607 I HA 0.339 4.513 4.170 0.007 0.000 0.277 607 I C -0.752 175.338 176.117 -0.045 0.000 1.045 607 I CA -0.430 60.800 61.300 -0.117 0.000 1.135 607 I CB 1.165 39.124 38.000 -0.068 0.000 1.241 607 I HN 0.379 nan 8.210 nan 0.000 0.469 608 I N 5.115 125.651 120.570 -0.056 0.000 2.312 608 I HA 0.291 4.466 4.170 0.007 0.000 0.291 608 I C 0.622 176.776 176.117 0.061 0.000 1.031 608 I CA 0.422 61.679 61.300 -0.071 0.000 1.293 608 I CB 0.289 38.242 38.000 -0.078 0.000 1.403 608 I HN 0.628 nan 8.210 nan 0.000 0.484 609 D N 5.003 125.552 120.400 0.248 0.000 3.582 609 D HA -0.212 4.432 4.640 0.007 0.000 0.258 609 D C 1.431 177.807 176.300 0.127 0.000 1.930 609 D CA 1.695 55.837 54.000 0.237 0.000 1.144 609 D CB -0.288 40.606 40.800 0.156 0.000 0.858 609 D HN 0.779 nan 8.370 nan 0.000 1.045 610 G N -0.389 108.460 108.800 0.081 0.000 2.708 610 G HA2 -0.081 3.883 3.960 0.007 0.000 0.210 610 G HA3 -0.081 3.883 3.960 0.007 0.000 0.210 610 G C 0.561 175.492 174.900 0.052 0.000 1.141 610 G CA 0.705 45.840 45.100 0.057 0.000 0.788 610 G HN 0.273 nan 8.290 nan 0.000 0.531 611 Q N -0.156 119.675 119.800 0.052 0.000 2.226 611 Q HA 0.496 4.841 4.340 0.007 0.000 0.256 611 Q C -0.155 175.847 176.000 0.005 0.000 0.962 611 Q CA -0.703 55.122 55.803 0.037 0.000 0.887 611 Q CB 2.394 31.161 28.738 0.047 0.000 1.282 611 Q HN 0.445 nan 8.270 nan 0.000 0.449 612 I N -0.792 119.769 120.570 -0.016 0.000 2.354 612 I HA 0.300 4.474 4.170 0.007 0.000 0.292 612 I C 0.435 176.514 176.117 -0.063 0.000 0.989 612 I CA -0.628 60.631 61.300 -0.068 0.000 1.188 612 I CB 0.820 38.768 38.000 -0.086 0.000 1.342 612 I HN 0.418 nan 8.210 nan 0.000 0.457 613 I N 5.178 125.678 120.570 -0.115 0.000 2.429 613 I HA 0.191 4.365 4.170 0.007 0.000 0.247 613 I C 0.568 176.729 176.117 0.073 0.000 1.099 613 I CA 1.180 62.469 61.300 -0.019 0.000 1.422 613 I CB -0.945 37.064 38.000 0.015 0.000 1.112 613 I HN 0.756 nan 8.210 nan 0.000 0.430 614 F N -0.318 119.591 119.950 -0.067 0.000 2.668 614 F HA 0.749 5.280 4.527 0.007 0.000 0.309 614 F C -0.314 175.428 175.800 -0.097 0.000 1.117 614 F CA -0.834 57.121 58.000 -0.076 0.000 0.951 614 F CB 1.164 40.119 39.000 -0.075 0.000 1.323 614 F HN 0.147 nan 8.300 nan 0.000 0.451 615 G N 0.676 109.563 108.800 0.146 0.000 2.640 615 G HA2 0.269 4.233 3.960 0.007 0.000 0.686 615 G HA3 0.269 4.233 3.960 0.007 0.000 0.686 615 G C -1.816 173.068 174.900 -0.027 0.000 1.229 615 G CA -0.701 44.434 45.100 0.059 0.000 0.796 615 G HN 1.149 nan 8.290 nan 0.000 0.654 616 V N 1.073 120.972 119.914 -0.026 0.000 2.555 616 V HA 0.436 4.560 4.120 0.007 0.000 0.286 616 V C 1.063 177.119 176.094 -0.065 0.000 1.044 616 V CA -0.561 61.706 62.300 -0.055 0.000 1.026 616 V CB 1.416 33.212 31.823 -0.046 0.000 0.981 616 V HN 0.798 nan 8.190 nan 0.000 0.480 617 V N 5.802 125.668 119.914 -0.079 0.000 2.407 617 V HA 0.628 4.752 4.120 0.007 0.000 0.278 617 V C 0.149 176.207 176.094 -0.060 0.000 1.037 617 V CA 0.043 62.300 62.300 -0.072 0.000 0.900 617 V CB 1.253 33.031 31.823 -0.076 0.000 0.983 617 V HN 1.220 nan 8.190 nan 0.000 0.459 618 E N 3.273 123.447 120.200 -0.043 0.000 1.616 618 E HA 0.262 4.616 4.350 0.007 0.000 0.166 618 E C 0.776 177.365 176.600 -0.018 0.000 1.791 618 E CA -0.573 55.806 56.400 -0.034 0.000 1.091 618 E CB 0.187 29.866 29.700 -0.035 0.000 1.718 618 E HN 0.050 nan 8.360 nan 0.000 0.657 619 K N 0.153 120.546 120.400 -0.013 0.000 2.057 619 K HA -0.019 4.305 4.320 0.007 0.000 0.207 619 K C 1.051 177.654 176.600 0.004 0.000 1.049 619 K CA 1.514 57.799 56.287 -0.002 0.000 0.931 619 K CB -0.174 32.327 32.500 0.001 0.000 0.714 619 K HN 0.319 nan 8.250 nan 0.000 0.440 620 K N -0.141 120.260 120.400 0.000 0.000 2.569 620 K HA 0.006 4.330 4.320 0.007 0.000 0.193 620 K C 0.767 177.368 176.600 0.001 0.000 1.026 620 K CA 0.545 56.834 56.287 0.003 0.000 1.093 620 K CB 0.503 33.003 32.500 -0.000 0.000 0.849 620 K HN 0.181 nan 8.250 nan 0.000 0.509 621 T N -1.490 113.064 114.554 0.001 0.000 3.409 621 T HA -0.025 4.329 4.350 0.007 0.000 0.242 621 T C 1.425 176.139 174.700 0.023 0.000 1.000 621 T CA -0.214 61.886 62.100 -0.000 0.000 1.180 621 T CB -0.198 68.656 68.868 -0.024 0.000 1.210 621 T HN -0.013 nan 8.240 nan 0.000 0.373 622 V N 1.881 121.806 119.914 0.019 0.000 2.951 622 V HA 0.287 4.411 4.120 0.007 0.000 0.255 622 V C 1.756 177.878 176.094 0.046 0.000 1.088 622 V CA 1.550 63.874 62.300 0.040 0.000 1.109 622 V CB -0.810 31.026 31.823 0.022 0.000 0.724 622 V HN 0.564 nan 8.190 nan 0.000 0.471 623 G N 0.358 109.174 108.800 0.026 0.000 2.519 623 G HA2 -0.057 3.907 3.960 0.007 0.000 0.161 623 G HA3 -0.057 3.907 3.960 0.007 0.000 0.161 623 G C 0.811 175.730 174.900 0.032 0.000 1.671 623 G CA 0.738 45.849 45.100 0.017 0.000 1.028 623 G HN 0.888 nan 8.290 nan 0.000 0.486 624 S N -0.733 114.986 115.700 0.032 0.000 2.661 624 S HA 0.407 4.882 4.470 0.007 0.000 0.245 624 S C 0.520 175.157 174.600 0.062 0.000 1.117 624 S CA 0.351 58.580 58.200 0.047 0.000 1.091 624 S CB -0.256 62.960 63.200 0.027 0.000 0.887 624 S HN 0.829 nan 8.310 nan 0.000 0.491 625 S N 1.251 116.986 115.700 0.060 0.000 2.596 625 S HA 0.241 4.715 4.470 0.007 0.000 0.260 625 S C 1.123 175.772 174.600 0.082 0.000 1.336 625 S CA -0.541 57.693 58.200 0.055 0.000 0.993 625 S CB 0.301 63.522 63.200 0.035 0.000 0.923 625 S HN 0.466 nan 8.310 nan 0.000 0.567 626 N N 1.198 119.934 118.700 0.060 0.000 2.084 626 N HA -0.074 4.671 4.740 0.007 0.000 0.190 626 N C 0.882 176.380 175.510 -0.021 0.000 1.030 626 N CA 1.381 54.463 53.050 0.053 0.000 0.849 626 N CB -0.440 38.050 38.487 0.005 0.000 1.012 626 N HN 0.861 nan 8.380 nan 0.000 0.423 627 G N -0.125 108.657 108.800 -0.030 0.000 5.001 627 G HA2 0.515 4.480 3.960 0.007 0.000 0.304 627 G HA3 0.515 4.480 3.960 0.007 0.000 0.304 627 G C -0.100 174.802 174.900 0.003 0.000 1.400 627 G CA -0.215 44.847 45.100 -0.063 0.000 1.029 627 G HN 0.368 nan 8.290 nan 0.000 0.584 628 G N -0.183 108.649 108.800 0.053 0.000 2.887 628 G HA2 0.446 4.410 3.960 0.007 0.000 0.277 628 G HA3 0.446 4.410 3.960 0.007 0.000 0.277 628 G C 0.869 175.814 174.900 0.075 0.000 1.346 628 G CA -0.626 44.505 45.100 0.052 0.000 1.058 628 G HN 0.309 nan 8.290 nan 0.000 0.535 629 L N 0.074 121.332 121.223 0.059 0.000 2.081 629 L HA -0.089 4.255 4.340 0.007 0.000 0.212 629 L C 2.602 179.516 176.870 0.073 0.000 1.080 629 L CA 2.220 57.093 54.840 0.054 0.000 0.754 629 L CB -0.480 41.604 42.059 0.042 0.000 0.893 629 L HN 0.629 nan 8.230 nan 0.000 0.433 630 I N -4.705 115.931 120.570 0.109 0.000 2.500 630 I HA -0.149 4.026 4.170 0.007 0.000 0.252 630 I C 2.538 178.702 176.117 0.080 0.000 1.142 630 I CA 1.133 62.498 61.300 0.108 0.000 1.451 630 I CB -0.989 37.144 38.000 0.220 0.000 1.093 630 I HN 0.231 nan 8.210 nan 0.000 0.430 631 H N 2.078 121.172 119.070 0.039 0.000 2.363 631 H HA -0.033 4.527 4.556 0.007 0.000 0.301 631 H C 2.236 177.574 175.328 0.016 0.000 1.074 631 H CA 2.002 58.068 56.048 0.029 0.000 1.354 631 H CB 0.175 29.959 29.762 0.037 0.000 1.397 631 H HN 0.270 nan 8.280 nan 0.000 0.516 632 V N 0.445 120.483 119.914 0.207 0.000 2.261 632 V HA -0.212 3.912 4.120 0.007 0.000 0.246 632 V C 2.919 179.049 176.094 0.061 0.000 1.047 632 V CA 1.568 63.947 62.300 0.132 0.000 1.015 632 V CB -0.779 31.091 31.823 0.078 0.000 0.642 632 V HN 0.214 nan 8.190 nan 0.000 0.446 633 V N 0.266 120.191 119.914 0.018 0.000 2.720 633 V HA -0.208 3.917 4.120 0.007 0.000 0.256 633 V C 2.405 178.469 176.094 -0.050 0.000 1.082 633 V CA 2.284 64.567 62.300 -0.028 0.000 1.101 633 V CB -1.015 30.774 31.823 -0.058 0.000 0.693 633 V HN 0.662 nan 8.190 nan 0.000 0.479 634 T N -1.029 113.492 114.554 -0.055 0.000 2.937 634 T HA -0.022 4.332 4.350 0.007 0.000 0.260 634 T C 2.112 176.786 174.700 -0.045 0.000 1.051 634 T CA 0.555 62.606 62.100 -0.082 0.000 1.141 634 T CB -0.091 68.699 68.868 -0.131 0.000 0.879 634 T HN 0.204 nan 8.240 nan 0.000 0.459 635 R N 0.837 121.336 120.500 -0.003 0.000 2.161 635 R HA 0.194 4.538 4.340 0.007 0.000 0.213 635 R C 2.261 178.587 176.300 0.045 0.000 1.055 635 R CA 0.762 56.889 56.100 0.044 0.000 0.996 635 R CB -0.262 30.108 30.300 0.117 0.000 0.901 635 R HN 0.400 nan 8.270 nan 0.000 0.456 636 E N 1.097 121.315 120.200 0.029 0.000 2.011 636 E HA -0.104 4.250 4.350 0.007 0.000 0.191 636 E C 1.457 178.060 176.600 0.005 0.000 0.980 636 E CA 1.505 57.915 56.400 0.016 0.000 0.814 636 E CB 0.156 29.854 29.700 -0.004 0.000 0.775 636 E HN -0.030 nan 8.360 nan 0.000 0.454 637 K N -0.674 119.718 120.400 -0.014 0.000 2.166 637 K HA 0.308 4.632 4.320 0.007 0.000 0.201 637 K C 0.735 177.323 176.600 -0.020 0.000 1.052 637 K CA 0.923 57.197 56.287 -0.021 0.000 0.969 637 K CB 0.233 32.711 32.500 -0.037 0.000 0.761 637 K HN 0.254 nan 8.250 nan 0.000 0.459 638 G N 1.443 110.226 108.800 -0.028 0.000 2.326 638 G HA2 -0.001 3.963 3.960 0.007 0.000 0.413 638 G HA3 -0.001 3.963 3.960 0.007 0.000 0.413 638 G C -2.636 172.226 174.900 -0.063 0.000 1.444 638 G CA -0.483 44.596 45.100 -0.035 0.000 1.002 638 G HN -0.180 nan 8.290 nan 0.000 0.649 639 P HA -0.106 nan 4.420 nan 0.000 0.216 639 P C 1.365 178.604 177.300 -0.102 0.000 1.153 639 P CA 1.439 64.486 63.100 -0.089 0.000 0.844 639 P CB 0.209 31.865 31.700 -0.072 0.000 0.787 640 Q N -0.420 119.333 119.800 -0.077 0.000 2.187 640 Q HA -0.018 4.326 4.340 0.007 0.000 0.199 640 Q C 2.308 178.258 176.000 -0.084 0.000 0.957 640 Q CA 0.906 56.666 55.803 -0.073 0.000 0.857 640 Q CB -0.473 28.236 28.738 -0.049 0.000 0.929 640 Q HN 0.105 nan 8.270 nan 0.000 0.453 641 V N 0.520 120.386 119.914 -0.080 0.000 2.490 641 V HA -0.291 3.833 4.120 0.007 0.000 0.250 641 V C 2.319 178.330 176.094 -0.138 0.000 1.061 641 V CA 1.577 63.826 62.300 -0.085 0.000 1.064 641 V CB -0.564 31.220 31.823 -0.065 0.000 0.670 641 V HN 0.536 nan 8.190 nan 0.000 0.461 642 C N 0.162 119.350 119.300 -0.187 0.000 2.467 642 C HA 0.139 4.603 4.460 0.007 0.000 0.279 642 C C 3.028 177.710 174.990 -0.514 0.000 1.347 642 C CA 0.479 59.306 59.018 -0.319 0.000 1.748 642 C CB -1.085 26.479 27.740 -0.293 0.000 1.977 642 C HN 0.567 nan 8.230 nan 0.000 0.501 643 A N 0.186 122.806 122.820 -0.334 0.000 1.898 643 A HA -0.172 4.152 4.320 0.007 0.000 0.216 643 A C 2.240 179.723 177.584 -0.168 0.000 1.181 643 A CA 1.827 53.709 52.037 -0.258 0.000 0.620 643 A CB -0.694 18.247 19.000 -0.099 0.000 0.819 643 A HN 0.688 nan 8.150 nan 0.000 0.442 644 K N -0.699 119.628 120.400 -0.122 0.000 2.515 644 K HA -0.039 4.285 4.320 0.007 0.000 0.196 644 K C 1.667 178.231 176.600 -0.060 0.000 1.038 644 K CA 0.740 56.994 56.287 -0.056 0.000 0.967 644 K CB -0.218 32.259 32.500 -0.037 0.000 0.780 644 K HN 0.432 nan 8.250 nan 0.000 0.483 645 L N 0.044 121.170 121.223 -0.162 0.000 2.023 645 L HA -0.053 4.291 4.340 0.007 0.000 0.205 645 L C 1.503 178.372 176.870 -0.001 0.000 1.073 645 L CA 1.665 56.428 54.840 -0.127 0.000 0.745 645 L CB -0.628 41.291 42.059 -0.234 0.000 0.900 645 L HN -0.017 nan 8.230 nan 0.000 0.435 646 F N 1.064 121.022 119.950 0.013 0.000 2.011 646 F HA -0.070 4.461 4.527 0.007 0.000 0.296 646 F C 2.651 178.464 175.800 0.023 0.000 1.144 646 F CA 1.214 59.224 58.000 0.017 0.000 1.185 646 F CB -1.792 37.220 39.000 0.019 0.000 0.961 646 F HN 0.218 nan 8.300 nan 0.000 0.485 647 G N 0.532 109.486 108.800 0.255 0.000 2.853 647 G HA2 -0.440 3.525 3.960 0.007 0.000 0.234 647 G HA3 -0.440 3.525 3.960 0.007 0.000 0.234 647 G C 1.580 176.553 174.900 0.122 0.000 1.198 647 G CA 1.729 46.920 45.100 0.152 0.000 0.767 647 G HN 0.364 nan 8.290 nan 0.000 0.657 648 N N 0.701 119.461 118.700 0.099 0.000 2.192 648 N HA -0.077 4.667 4.740 0.007 0.000 0.188 648 N C 2.184 177.737 175.510 0.071 0.000 1.013 648 N CA 1.226 54.326 53.050 0.082 0.000 0.863 648 N CB -0.325 38.200 38.487 0.063 0.000 0.990 648 N HN 0.524 nan 8.380 nan 0.000 0.430 649 I N 0.785 121.407 120.570 0.086 0.000 2.233 649 I HA -0.250 3.925 4.170 0.007 0.000 0.243 649 I C 2.248 178.392 176.117 0.045 0.000 1.093 649 I CA 0.999 62.340 61.300 0.067 0.000 1.380 649 I CB -0.223 37.837 38.000 0.100 0.000 1.067 649 I HN 0.152 nan 8.210 nan 0.000 0.413 650 Q N 0.923 120.759 119.800 0.060 0.000 1.993 650 Q HA -0.239 4.105 4.340 0.007 0.000 0.202 650 Q C 2.215 178.199 176.000 -0.026 0.000 0.984 650 Q CA 1.684 57.501 55.803 0.023 0.000 0.837 650 Q CB -0.110 28.652 28.738 0.039 0.000 0.902 650 Q HN 0.380 nan 8.270 nan 0.000 0.423 651 K N -0.154 120.238 120.400 -0.012 0.000 2.152 651 K HA -0.150 4.174 4.320 0.007 0.000 0.206 651 K C 1.967 178.430 176.600 -0.228 0.000 1.048 651 K CA 1.366 57.591 56.287 -0.104 0.000 0.933 651 K CB -0.003 32.587 32.500 0.149 0.000 0.721 651 K HN 0.058 nan 8.250 nan 0.000 0.447 652 V N 0.030 119.901 119.914 -0.072 0.000 2.379 652 V HA -0.155 3.969 4.120 0.007 0.000 0.243 652 V C 2.151 178.263 176.094 0.030 0.000 1.035 652 V CA 1.144 63.419 62.300 -0.041 0.000 1.035 652 V CB -0.253 31.567 31.823 -0.005 0.000 0.673 652 V HN 0.028 nan 8.190 nan 0.000 0.457 653 V N 0.818 120.743 119.914 0.019 0.000 2.307 653 V HA -0.221 3.903 4.120 0.007 0.000 0.245 653 V C 2.427 178.568 176.094 0.078 0.000 1.045 653 V CA 2.100 64.439 62.300 0.066 0.000 1.024 653 V CB -0.898 30.939 31.823 0.024 0.000 0.651 653 V HN 0.526 nan 8.190 nan 0.000 0.449 654 N N -0.252 118.432 118.700 -0.026 0.000 2.137 654 N HA -0.209 4.535 4.740 0.007 0.000 0.190 654 N C 1.696 177.125 175.510 -0.135 0.000 1.017 654 N CA 1.800 54.795 53.050 -0.091 0.000 0.859 654 N CB -0.468 37.932 38.487 -0.145 0.000 1.002 654 N HN 0.555 nan 8.380 nan 0.000 0.428 655 F N -0.021 119.744 119.950 -0.309 0.000 2.084 655 F HA -0.137 4.394 4.527 0.007 0.000 0.296 655 F C 2.350 178.152 175.800 0.003 0.000 1.111 655 F CA 1.225 59.050 58.000 -0.292 0.000 1.224 655 F CB -0.556 38.104 39.000 -0.566 0.000 0.991 655 F HN 0.075 nan 8.300 nan 0.000 0.471 656 W N 0.911 122.215 121.300 0.006 0.000 2.315 656 W HA -0.288 4.376 4.660 0.007 0.000 0.323 656 W C 2.289 178.739 176.519 -0.115 0.000 1.233 656 W CA 2.398 59.729 57.345 -0.024 0.000 1.267 656 W CB -0.992 28.479 29.460 0.018 0.000 1.160 656 W HN 0.181 nan 8.180 nan 0.000 0.474 657 L N 0.677 121.882 121.223 -0.031 0.000 2.013 657 L HA -0.220 4.125 4.340 0.007 0.000 0.212 657 L C 2.480 179.140 176.870 -0.351 0.000 1.073 657 L CA 2.331 57.055 54.840 -0.194 0.000 0.753 657 L CB -1.684 40.370 42.059 -0.007 0.000 0.890 657 L HN 0.231 nan 8.230 nan 0.000 0.432 658 L N -0.671 120.333 121.223 -0.365 0.000 2.043 658 L HA -0.264 4.080 4.340 0.007 0.000 0.212 658 L C 2.240 178.744 176.870 -0.611 0.000 1.075 658 L CA 1.974 56.525 54.840 -0.481 0.000 0.752 658 L CB -1.049 40.658 42.059 -0.587 0.000 0.891 658 L HN 0.479 nan 8.230 nan 0.000 0.432 659 H N -1.719 117.029 119.070 -0.537 0.000 2.526 659 H HA 0.119 4.679 4.556 0.007 0.000 0.274 659 H C 1.294 176.308 175.328 -0.522 0.000 0.999 659 H CA 0.732 56.478 56.048 -0.504 0.000 1.157 659 H CB 0.088 29.505 29.762 -0.575 0.000 1.407 659 H HN 0.524 nan 8.280 nan 0.000 0.568 660 N N 0.284 118.648 118.700 -0.560 0.000 2.606 660 N HA 0.111 4.855 4.740 0.007 0.000 0.208 660 N C 0.332 175.640 175.510 -0.337 0.000 1.046 660 N CA 0.996 53.674 53.050 -0.619 0.000 0.891 660 N CB 1.179 38.907 38.487 -1.266 0.000 1.344 660 N HN 0.292 nan 8.380 nan 0.000 0.437 661 G N -0.412 108.227 108.800 -0.269 0.000 2.719 661 G HA2 0.015 3.980 3.960 0.007 0.000 0.686 661 G HA3 0.015 3.980 3.960 0.007 0.000 0.686 661 G C -1.271 173.661 174.900 0.054 0.000 1.201 661 G CA -0.237 44.796 45.100 -0.111 0.000 0.768 661 G HN 0.434 nan 8.290 nan 0.000 0.629 662 F N 1.387 121.273 119.950 -0.108 0.000 2.622 662 F HA 0.766 5.297 4.527 0.007 0.000 0.318 662 F C -0.159 175.607 175.800 -0.055 0.000 1.135 662 F CA 0.044 58.005 58.000 -0.064 0.000 1.015 662 F CB 1.871 40.846 39.000 -0.041 0.000 1.275 662 F HN 1.150 nan 8.300 nan 0.000 0.457 663 S N 2.216 117.436 115.700 -0.799 0.000 2.811 663 S HA 0.942 5.416 4.470 0.007 0.000 0.311 663 S C -1.535 172.632 174.600 -0.722 0.000 1.152 663 S CA -0.326 57.528 58.200 -0.577 0.000 0.864 663 S CB 2.026 65.047 63.200 -0.297 0.000 1.226 663 S HN 0.713 nan 8.310 nan 0.000 0.541 664 T N 1.210 115.531 114.554 -0.388 0.000 3.548 664 T HA 0.563 4.917 4.350 0.007 0.000 0.329 664 T C -0.150 174.451 174.700 -0.165 0.000 0.960 664 T CA -0.546 61.387 62.100 -0.279 0.000 1.041 664 T CB 0.898 69.632 68.868 -0.223 0.000 1.065 664 T HN 0.813 nan 8.240 nan 0.000 0.459 665 G N 0.978 109.700 108.800 -0.129 0.000 2.552 665 G HA2 0.655 4.619 3.960 0.007 0.000 0.318 665 G HA3 0.655 4.619 3.960 0.007 0.000 0.318 665 G C 1.169 176.029 174.900 -0.065 0.000 1.240 665 G CA -1.116 43.931 45.100 -0.087 0.000 1.002 665 G HN 0.870 nan 8.290 nan 0.000 0.493 666 I N -2.342 118.197 120.570 -0.051 0.000 2.761 666 I HA 0.133 4.307 4.170 0.007 0.000 0.261 666 I C 2.086 178.183 176.117 -0.033 0.000 1.198 666 I CA 0.956 62.233 61.300 -0.039 0.000 1.482 666 I CB -0.232 37.749 38.000 -0.032 0.000 1.100 666 I HN 0.453 nan 8.210 nan 0.000 0.445 667 G N 1.258 110.037 108.800 -0.034 0.000 2.527 667 G HA2 -0.191 3.773 3.960 0.007 0.000 0.219 667 G HA3 -0.191 3.773 3.960 0.007 0.000 0.219 667 G C 0.900 175.786 174.900 -0.024 0.000 1.117 667 G CA 0.739 45.823 45.100 -0.027 0.000 0.759 667 G HN 0.409 nan 8.290 nan 0.000 0.556 668 D N -0.475 119.907 120.400 -0.031 0.000 2.339 668 D HA 0.042 4.686 4.640 0.007 0.000 0.217 668 D C 2.353 178.641 176.300 -0.020 0.000 1.050 668 D CA 1.134 55.119 54.000 -0.024 0.000 0.856 668 D CB 0.368 41.147 40.800 -0.035 0.000 0.922 668 D HN 0.489 nan 8.370 nan 0.000 0.518 669 T N -2.782 111.760 114.554 -0.021 0.000 2.955 669 T HA 0.147 4.502 4.350 0.007 0.000 0.251 669 T C 1.007 175.699 174.700 -0.013 0.000 1.002 669 T CA -0.343 61.747 62.100 -0.017 0.000 0.970 669 T CB 0.615 69.474 68.868 -0.015 0.000 1.091 669 T HN -0.169 nan 8.240 nan 0.000 0.495 670 I N 3.303 123.865 120.570 -0.013 0.000 2.845 670 I HA 0.368 4.543 4.170 0.007 0.000 0.296 670 I C 0.754 176.867 176.117 -0.007 0.000 1.216 670 I CA -0.123 61.171 61.300 -0.010 0.000 1.438 670 I CB -0.700 37.294 38.000 -0.010 0.000 1.342 670 I HN 0.435 nan 8.210 nan 0.000 0.577 671 A N 5.196 128.013 122.820 -0.006 0.000 2.401 671 A HA 0.441 4.765 4.320 0.007 0.000 0.310 671 A C -0.317 177.268 177.584 0.001 0.000 1.075 671 A CA -0.738 51.298 52.037 -0.002 0.000 0.746 671 A CB 0.984 19.982 19.000 -0.004 0.000 1.277 671 A HN 0.660 nan 8.150 nan 0.000 0.425 672 D N 1.068 121.471 120.400 0.005 0.000 2.601 672 D HA 0.207 4.851 4.640 0.007 0.000 0.229 672 D C 1.706 178.010 176.300 0.006 0.000 1.140 672 D CA 1.749 55.753 54.000 0.006 0.000 0.862 672 D CB 0.828 41.634 40.800 0.010 0.000 1.192 672 D HN 0.605 nan 8.370 nan 0.000 0.480 673 G N 3.570 112.374 108.800 0.006 0.000 2.586 673 G HA2 -0.224 3.740 3.960 0.007 0.000 0.218 673 G HA3 -0.224 3.740 3.960 0.007 0.000 0.218 673 G C -0.773 174.132 174.900 0.008 0.000 1.216 673 G CA 0.911 46.015 45.100 0.006 0.000 0.786 673 G HN 0.591 nan 8.290 nan 0.000 0.583 674 P HA 0.021 nan 4.420 nan 0.000 0.229 674 P C 1.540 178.848 177.300 0.013 0.000 1.160 674 P CA 1.337 64.444 63.100 0.011 0.000 0.777 674 P CB -0.045 31.662 31.700 0.012 0.000 0.814 675 T N -0.055 114.506 114.554 0.013 0.000 2.732 675 T HA -0.041 4.313 4.350 0.007 0.000 0.261 675 T C 1.970 176.678 174.700 0.013 0.000 1.040 675 T CA 1.021 63.130 62.100 0.014 0.000 1.145 675 T CB -0.553 68.323 68.868 0.014 0.000 0.866 675 T HN -0.070 nan 8.240 nan 0.000 0.427 676 M N 1.097 120.702 119.600 0.009 0.000 2.089 676 M HA -0.106 4.378 4.480 0.007 0.000 0.257 676 M C 2.350 178.655 176.300 0.009 0.000 1.071 676 M CA 1.578 56.882 55.300 0.006 0.000 1.096 676 M CB -0.971 31.630 32.600 0.003 0.000 1.330 676 M HN 0.166 nan 8.290 nan 0.000 0.403 677 R N -0.224 120.282 120.500 0.010 0.000 2.081 677 R HA -0.185 4.159 4.340 0.007 0.000 0.235 677 R C 2.139 178.449 176.300 0.016 0.000 1.131 677 R CA 1.856 57.963 56.100 0.012 0.000 0.960 677 R CB -0.188 30.119 30.300 0.012 0.000 0.856 677 R HN 0.474 nan 8.270 nan 0.000 0.436 678 E N 0.206 120.416 120.200 0.017 0.000 2.106 678 E HA -0.186 4.169 4.350 0.007 0.000 0.192 678 E C 1.886 178.501 176.600 0.025 0.000 0.984 678 E CA 1.190 57.603 56.400 0.021 0.000 0.806 678 E CB -0.029 29.684 29.700 0.022 0.000 0.750 678 E HN 0.332 nan 8.360 nan 0.000 0.458 679 I N 0.595 121.179 120.570 0.024 0.000 2.163 679 I HA -0.287 3.887 4.170 0.007 0.000 0.243 679 I C 2.465 178.602 176.117 0.032 0.000 1.085 679 I CA 1.525 62.842 61.300 0.028 0.000 1.347 679 I CB -0.368 37.644 38.000 0.019 0.000 1.044 679 I HN 0.132 nan 8.210 nan 0.000 0.408 680 T N 0.530 115.099 114.554 0.026 0.000 2.708 680 T HA -0.198 4.156 4.350 0.007 0.000 0.266 680 T C 1.721 176.441 174.700 0.034 0.000 1.037 680 T CA 1.675 63.793 62.100 0.030 0.000 1.146 680 T CB -0.408 68.473 68.868 0.021 0.000 0.865 680 T HN 0.603 nan 8.240 nan 0.000 0.435 681 E N 0.861 121.078 120.200 0.028 0.000 2.265 681 E HA -0.136 4.218 4.350 0.007 0.000 0.196 681 E C 1.792 178.411 176.600 0.030 0.000 0.996 681 E CA 1.310 57.726 56.400 0.027 0.000 0.832 681 E CB -0.615 29.098 29.700 0.022 0.000 0.756 681 E HN 0.330 nan 8.360 nan 0.000 0.491 682 T N 1.346 115.922 114.554 0.036 0.000 2.857 682 T HA -0.027 4.327 4.350 0.007 0.000 0.266 682 T C 1.833 176.562 174.700 0.048 0.000 1.048 682 T CA 0.742 62.867 62.100 0.041 0.000 1.139 682 T CB 0.013 68.908 68.868 0.046 0.000 0.874 682 T HN 0.153 nan 8.240 nan 0.000 0.455 683 I N 1.629 122.235 120.570 0.060 0.000 2.286 683 I HA -0.046 4.129 4.170 0.007 0.000 0.245 683 I C 2.915 179.063 176.117 0.051 0.000 1.104 683 I CA 0.946 62.293 61.300 0.079 0.000 1.397 683 I CB -1.405 36.670 38.000 0.124 0.000 1.072 683 I HN 0.172 nan 8.210 nan 0.000 0.417 684 A N 1.127 123.972 122.820 0.043 0.000 2.024 684 A HA -0.226 4.099 4.320 0.007 0.000 0.220 684 A C 2.204 179.794 177.584 0.011 0.000 1.164 684 A CA 1.845 53.899 52.037 0.029 0.000 0.643 684 A CB -0.684 18.332 19.000 0.027 0.000 0.806 684 A HN 0.691 nan 8.150 nan 0.000 0.451 685 E N -0.360 119.847 120.200 0.012 0.000 2.158 685 E HA 0.082 4.436 4.350 0.007 0.000 0.191 685 E C 1.807 178.397 176.600 -0.016 0.000 0.982 685 E CA 0.844 57.245 56.400 0.002 0.000 0.823 685 E CB -0.311 29.397 29.700 0.013 0.000 0.766 685 E HN 0.441 nan 8.360 nan 0.000 0.468 686 A N 1.228 124.040 122.820 -0.015 0.000 2.067 686 A HA 0.002 4.326 4.320 0.007 0.000 0.217 686 A C 2.060 179.584 177.584 -0.099 0.000 1.156 686 A CA 0.507 52.516 52.037 -0.048 0.000 0.683 686 A CB -0.086 18.889 19.000 -0.042 0.000 0.808 686 A HN -0.009 nan 8.150 nan 0.000 0.455 687 K N 0.294 120.658 120.400 -0.060 0.000 2.116 687 K HA 0.011 4.336 4.320 0.007 0.000 0.203 687 K C 1.351 177.916 176.600 -0.058 0.000 1.052 687 K CA 0.978 57.231 56.287 -0.055 0.000 0.952 687 K CB -0.135 32.364 32.500 -0.002 0.000 0.729 687 K HN 0.389 nan 8.250 nan 0.000 0.446 688 K N 0.667 121.037 120.400 -0.049 0.000 2.487 688 K HA -0.008 4.316 4.320 0.007 0.000 0.192 688 K C 1.752 178.296 176.600 -0.093 0.000 1.027 688 K CA 0.270 56.526 56.287 -0.052 0.000 1.054 688 K CB 0.309 32.792 32.500 -0.029 0.000 0.824 688 K HN 0.021 nan 8.250 nan 0.000 0.510 689 K N 0.463 120.781 120.400 -0.137 0.000 2.211 689 K HA 0.009 4.333 4.320 0.007 0.000 0.201 689 K C 1.713 178.082 176.600 -0.384 0.000 1.052 689 K CA 0.371 56.513 56.287 -0.243 0.000 0.973 689 K CB 0.472 32.835 32.500 -0.228 0.000 0.766 689 K HN -0.123 nan 8.250 nan 0.000 0.466 690 V N 1.344 121.076 119.914 -0.303 0.000 2.488 690 V HA -0.164 3.960 4.120 0.007 0.000 0.246 690 V C 2.040 178.054 176.094 -0.133 0.000 1.046 690 V CA 0.985 63.113 62.300 -0.287 0.000 1.053 690 V CB -0.160 31.524 31.823 -0.231 0.000 0.679 690 V HN 0.289 nan 8.190 nan 0.000 0.458 691 L N 0.246 121.419 121.223 -0.085 0.000 2.261 691 L HA -0.185 4.159 4.340 0.007 0.000 0.216 691 L C 1.777 178.629 176.870 -0.029 0.000 1.114 691 L CA 1.914 56.738 54.840 -0.025 0.000 0.777 691 L CB -0.478 41.569 42.059 -0.019 0.000 0.910 691 L HN 0.316 nan 8.230 nan 0.000 0.440 692 D N -1.520 118.835 120.400 -0.075 0.000 2.144 692 D HA -0.082 4.562 4.640 0.007 0.000 0.207 692 D C 2.319 178.588 176.300 -0.053 0.000 0.970 692 D CA 1.317 55.277 54.000 -0.065 0.000 0.853 692 D CB -0.277 40.469 40.800 -0.090 0.000 1.007 692 D HN 0.128 nan 8.370 nan 0.000 0.469 693 V N 1.180 121.029 119.914 -0.109 0.000 2.282 693 V HA -0.283 3.841 4.120 0.007 0.000 0.249 693 V C 2.383 178.561 176.094 0.140 0.000 1.057 693 V CA 2.217 64.489 62.300 -0.046 0.000 1.032 693 V CB -0.886 30.815 31.823 -0.204 0.000 0.645 693 V HN 0.274 nan 8.190 nan 0.000 0.447 694 T N -0.768 113.920 114.554 0.222 0.000 2.684 694 T HA -0.287 4.067 4.350 0.007 0.000 0.267 694 T C 1.932 176.658 174.700 0.045 0.000 1.036 694 T CA 1.782 64.041 62.100 0.266 0.000 1.148 694 T CB -0.265 68.759 68.868 0.259 0.000 0.863 694 T HN 0.385 nan 8.240 nan 0.000 0.436 695 K N 0.502 120.922 120.400 0.033 0.000 2.283 695 K HA -0.034 4.290 4.320 0.007 0.000 0.202 695 K C 2.391 178.988 176.600 -0.005 0.000 1.048 695 K CA 0.782 57.072 56.287 0.004 0.000 0.948 695 K CB 0.017 32.520 32.500 0.006 0.000 0.742 695 K HN 0.443 nan 8.250 nan 0.000 0.458 696 E N -0.163 120.040 120.200 0.005 0.000 2.076 696 E HA -0.104 4.250 4.350 0.007 0.000 0.190 696 E C 1.697 178.292 176.600 -0.008 0.000 0.979 696 E CA 0.764 57.166 56.400 0.003 0.000 0.807 696 E CB 0.056 29.764 29.700 0.014 0.000 0.761 696 E HN 0.316 nan 8.360 nan 0.000 0.454 697 A N 0.650 123.461 122.820 -0.015 0.000 1.968 697 A HA -0.160 4.164 4.320 0.007 0.000 0.217 697 A C 1.978 179.488 177.584 -0.123 0.000 1.169 697 A CA 1.073 53.061 52.037 -0.082 0.000 0.638 697 A CB -0.318 18.568 19.000 -0.189 0.000 0.812 697 A HN 0.268 nan 8.150 nan 0.000 0.446 698 Q N -0.969 118.765 119.800 -0.109 0.000 2.369 698 Q HA 0.069 4.414 4.340 0.007 0.000 0.206 698 Q C 1.502 177.469 176.000 -0.054 0.000 0.963 698 Q CA 0.840 56.588 55.803 -0.091 0.000 0.894 698 Q CB -0.146 28.554 28.738 -0.063 0.000 0.965 698 Q HN 0.630 nan 8.270 nan 0.000 0.475 699 A N 0.771 123.567 122.820 -0.040 0.000 2.507 699 A HA 0.077 4.402 4.320 0.007 0.000 0.270 699 A C 0.369 177.939 177.584 -0.024 0.000 1.318 699 A CA -0.274 51.748 52.037 -0.025 0.000 0.924 699 A CB 0.001 18.992 19.000 -0.015 0.000 1.061 699 A HN 0.336 nan 8.150 nan 0.000 0.516 700 N N -0.758 117.920 118.700 -0.036 0.000 2.678 700 N HA -0.179 4.565 4.740 0.007 0.000 0.249 700 N C 0.490 175.990 175.510 -0.017 0.000 1.119 700 N CA 1.250 54.281 53.050 -0.031 0.000 0.718 700 N CB -1.484 36.988 38.487 -0.025 0.000 1.060 700 N HN 0.595 nan 8.380 nan 0.000 0.552 701 L N -1.097 120.119 121.223 -0.012 0.000 2.416 701 L HA 0.168 4.513 4.340 0.007 0.000 0.216 701 L C 1.101 177.976 176.870 0.009 0.000 1.098 701 L CA -0.218 54.621 54.840 -0.001 0.000 0.840 701 L CB 0.053 42.113 42.059 0.001 0.000 0.981 701 L HN 0.122 nan 8.230 nan 0.000 0.462 702 L N 1.597 122.827 121.223 0.011 0.000 2.530 702 L HA 0.103 4.447 4.340 0.007 0.000 0.273 702 L C 0.182 177.070 176.870 0.029 0.000 1.141 702 L CA 0.508 55.367 54.840 0.032 0.000 0.905 702 L CB 0.429 42.520 42.059 0.054 0.000 1.202 702 L HN -0.006 nan 8.230 nan 0.000 0.473 703 T N 4.409 118.983 114.554 0.034 0.000 2.907 703 T HA 0.526 4.880 4.350 0.007 0.000 0.298 703 T C 0.311 175.035 174.700 0.040 0.000 1.017 703 T CA -0.236 61.883 62.100 0.032 0.000 1.118 703 T CB 1.043 69.930 68.868 0.031 0.000 0.948 703 T HN 0.823 nan 8.240 nan 0.000 0.531 704 A N 3.311 126.151 122.820 0.034 0.000 2.404 704 A HA 0.331 4.655 4.320 0.007 0.000 0.273 704 A C 0.353 177.965 177.584 0.047 0.000 1.144 704 A CA -0.641 51.416 52.037 0.034 0.000 0.806 704 A CB -0.139 18.870 19.000 0.015 0.000 1.080 704 A HN 0.806 nan 8.150 nan 0.000 0.509 705 K N 2.339 122.769 120.400 0.050 0.000 2.447 705 K HA 0.041 4.365 4.320 0.007 0.000 0.281 705 K C 0.057 176.700 176.600 0.073 0.000 1.031 705 K CA 0.078 56.404 56.287 0.065 0.000 1.019 705 K CB 0.105 32.637 32.500 0.052 0.000 0.918 705 K HN 0.822 nan 8.250 nan 0.000 0.476 706 H N 1.450 120.524 119.070 0.007 0.000 3.209 706 H HA -0.100 4.460 4.556 0.007 0.000 0.297 706 H C 1.414 176.746 175.328 0.006 0.000 0.936 706 H CA 2.208 58.257 56.048 0.002 0.000 1.392 706 H CB 0.062 29.821 29.762 -0.005 0.000 1.349 706 H HN 0.818 nan 8.280 nan 0.000 0.568 707 G N 3.160 111.707 108.800 -0.422 0.000 2.258 707 G HA2 -0.258 3.706 3.960 0.007 0.000 0.233 707 G HA3 -0.258 3.706 3.960 0.007 0.000 0.233 707 G C 0.359 175.187 174.900 -0.120 0.000 1.006 707 G CA 0.306 45.245 45.100 -0.268 0.000 0.620 707 G HN 0.835 nan 8.290 nan 0.000 0.511 708 M N 0.701 120.259 119.600 -0.070 0.000 2.644 708 M HA 0.756 5.240 4.480 0.007 0.000 0.316 708 M C 0.232 176.522 176.300 -0.018 0.000 1.200 708 M CA -0.579 54.704 55.300 -0.028 0.000 0.944 708 M CB 1.363 33.961 32.600 -0.002 0.000 1.691 708 M HN 0.024 nan 8.290 nan 0.000 0.471 709 T N 1.646 116.197 114.554 -0.005 0.000 2.855 709 T HA 0.161 4.515 4.350 0.007 0.000 0.314 709 T C 1.387 176.096 174.700 0.015 0.000 1.077 709 T CA -0.480 61.621 62.100 0.001 0.000 1.095 709 T CB 0.582 69.455 68.868 0.008 0.000 0.987 709 T HN 0.603 nan 8.240 nan 0.000 0.546 710 L N 1.254 122.481 121.223 0.007 0.000 1.990 710 L HA -0.143 4.201 4.340 0.007 0.000 0.213 710 L C 2.925 179.814 176.870 0.032 0.000 1.072 710 L CA 1.800 56.648 54.840 0.012 0.000 0.755 710 L CB -0.588 41.460 42.059 -0.018 0.000 0.889 710 L HN 0.588 nan 8.230 nan 0.000 0.432 711 R N -0.483 120.020 120.500 0.004 0.000 2.105 711 R HA -0.184 4.160 4.340 0.007 0.000 0.239 711 R C 2.224 178.587 176.300 0.105 0.000 1.135 711 R CA 1.597 57.707 56.100 0.017 0.000 0.967 711 R CB -0.352 29.943 30.300 -0.008 0.000 0.861 711 R HN 0.547 nan 8.270 nan 0.000 0.442 712 E N -0.282 119.962 120.200 0.073 0.000 2.072 712 E HA -0.081 4.273 4.350 0.007 0.000 0.190 712 E C 2.081 178.726 176.600 0.075 0.000 0.982 712 E CA 0.883 57.324 56.400 0.069 0.000 0.803 712 E CB 0.053 29.777 29.700 0.040 0.000 0.755 712 E HN 0.143 nan 8.360 nan 0.000 0.453 713 S N 0.574 116.322 115.700 0.081 0.000 2.368 713 S HA -0.155 4.320 4.470 0.007 0.000 0.225 713 S C 1.592 176.261 174.600 0.115 0.000 1.030 713 S CA 0.891 59.140 58.200 0.082 0.000 0.999 713 S CB -0.275 62.972 63.200 0.078 0.000 0.844 713 S HN 0.282 nan 8.310 nan 0.000 0.459 714 F N 2.602 122.548 119.950 -0.007 0.000 2.102 714 F HA -0.110 4.421 4.527 0.007 0.000 0.298 714 F C 2.388 178.191 175.800 0.005 0.000 1.105 714 F CA 1.550 59.541 58.000 -0.014 0.000 1.239 714 F CB -0.318 38.635 39.000 -0.078 0.000 0.991 714 F HN 0.085 nan 8.300 nan 0.000 0.474 715 E N 0.198 120.435 120.200 0.062 0.000 2.085 715 E HA -0.256 4.098 4.350 0.007 0.000 0.194 715 E C 1.911 178.464 176.600 -0.078 0.000 0.994 715 E CA 1.540 57.921 56.400 -0.032 0.000 0.801 715 E CB -0.615 29.133 29.700 0.081 0.000 0.743 715 E HN 0.497 nan 8.360 nan 0.000 0.453 716 D N 0.550 120.932 120.400 -0.030 0.000 2.117 716 D HA -0.121 4.524 4.640 0.007 0.000 0.198 716 D C 1.578 177.844 176.300 -0.057 0.000 0.982 716 D CA 0.773 54.751 54.000 -0.037 0.000 0.828 716 D CB -0.126 40.665 40.800 -0.015 0.000 0.967 716 D HN -0.014 nan 8.370 nan 0.000 0.464 717 N N -0.124 118.560 118.700 -0.028 0.000 2.043 717 N HA -0.133 4.612 4.740 0.007 0.000 0.193 717 N C 2.021 177.666 175.510 0.225 0.000 1.037 717 N CA 1.276 54.392 53.050 0.110 0.000 0.851 717 N CB -0.602 38.040 38.487 0.259 0.000 1.027 717 N HN 0.101 nan 8.380 nan 0.000 0.422 718 V N 0.560 120.433 119.914 -0.070 0.000 2.295 718 V HA -0.178 3.947 4.120 0.007 0.000 0.246 718 V C 2.410 178.477 176.094 -0.044 0.000 1.049 718 V CA 1.199 63.438 62.300 -0.103 0.000 1.024 718 V CB -0.645 30.923 31.823 -0.425 0.000 0.648 718 V HN 0.079 nan 8.190 nan 0.000 0.447 719 V N -0.013 119.845 119.914 -0.094 0.000 2.278 719 V HA -0.350 3.775 4.120 0.007 0.000 0.251 719 V C 2.606 178.652 176.094 -0.080 0.000 1.062 719 V CA 2.444 64.697 62.300 -0.080 0.000 1.038 719 V CB -0.844 30.942 31.823 -0.061 0.000 0.646 719 V HN 0.469 nan 8.190 nan 0.000 0.447 720 R N -1.176 119.252 120.500 -0.119 0.000 2.081 720 R HA -0.129 4.215 4.340 0.007 0.000 0.235 720 R C 2.236 178.396 176.300 -0.232 0.000 1.131 720 R CA 1.771 57.748 56.100 -0.204 0.000 0.960 720 R CB -0.425 29.681 30.300 -0.323 0.000 0.856 720 R HN 0.475 nan 8.270 nan 0.000 0.436 721 F N 0.535 120.406 119.950 -0.132 0.000 2.216 721 F HA -0.133 4.398 4.527 0.007 0.000 0.300 721 F C 2.078 177.774 175.800 -0.173 0.000 1.085 721 F CA 1.061 58.977 58.000 -0.139 0.000 1.326 721 F CB -0.163 38.741 39.000 -0.160 0.000 1.027 721 F HN -0.038 nan 8.300 nan 0.000 0.497 722 L N -0.802 120.385 121.223 -0.060 0.000 2.162 722 L HA -0.105 4.239 4.340 0.007 0.000 0.205 722 L C 2.052 178.870 176.870 -0.087 0.000 1.086 722 L CA 0.568 55.261 54.840 -0.245 0.000 0.778 722 L CB -0.563 41.210 42.059 -0.477 0.000 0.928 722 L HN 0.014 nan 8.230 nan 0.000 0.446 723 N N 0.349 119.027 118.700 -0.037 0.000 2.166 723 N HA -0.191 4.554 4.740 0.007 0.000 0.186 723 N C 1.644 177.166 175.510 0.019 0.000 1.019 723 N CA 1.171 54.230 53.050 0.015 0.000 0.856 723 N CB -0.106 38.379 38.487 -0.004 0.000 0.993 723 N HN 0.365 nan 8.380 nan 0.000 0.426 724 E N 0.071 120.261 120.200 -0.018 0.000 2.274 724 E HA 0.007 4.361 4.350 0.007 0.000 0.194 724 E C 1.679 178.299 176.600 0.033 0.000 0.996 724 E CA 0.580 56.976 56.400 -0.006 0.000 0.840 724 E CB 0.038 29.707 29.700 -0.052 0.000 0.772 724 E HN 0.362 nan 8.360 nan 0.000 0.491 725 A N 1.584 124.425 122.820 0.035 0.000 1.897 725 A HA -0.151 4.173 4.320 0.007 0.000 0.215 725 A C 2.107 179.757 177.584 0.111 0.000 1.181 725 A CA 1.119 53.191 52.037 0.059 0.000 0.620 725 A CB -0.321 18.687 19.000 0.012 0.000 0.821 725 A HN 0.061 nan 8.150 nan 0.000 0.443 726 R N -0.279 120.308 120.500 0.144 0.000 2.081 726 R HA -0.168 4.176 4.340 0.007 0.000 0.235 726 R C 1.111 177.499 176.300 0.147 0.000 1.131 726 R CA 1.945 58.139 56.100 0.156 0.000 0.960 726 R CB -0.357 30.046 30.300 0.171 0.000 0.856 726 R HN 0.387 nan 8.270 nan 0.000 0.436 727 D N -0.042 120.455 120.400 0.162 0.000 2.269 727 D HA -0.102 4.543 4.640 0.007 0.000 0.208 727 D C 1.594 178.024 176.300 0.217 0.000 0.963 727 D CA 1.009 55.151 54.000 0.236 0.000 0.864 727 D CB 0.096 40.989 40.800 0.155 0.000 0.936 727 D HN 0.237 nan 8.370 nan 0.000 0.505 728 K N 0.200 120.681 120.400 0.135 0.000 2.137 728 K HA 0.111 4.435 4.320 0.007 0.000 0.202 728 K C 1.914 178.582 176.600 0.114 0.000 1.052 728 K CA 0.749 57.103 56.287 0.112 0.000 0.961 728 K CB 0.095 32.639 32.500 0.072 0.000 0.741 728 K HN 0.006 nan 8.250 nan 0.000 0.452 729 A N 0.802 123.683 122.820 0.102 0.000 1.902 729 A HA -0.049 4.275 4.320 0.007 0.000 0.217 729 A C 2.299 179.916 177.584 0.055 0.000 1.181 729 A CA 1.835 53.915 52.037 0.071 0.000 0.623 729 A CB -1.362 17.676 19.000 0.062 0.000 0.818 729 A HN 0.505 nan 8.150 nan 0.000 0.443 730 G N 0.024 108.864 108.800 0.066 0.000 2.514 730 G HA2 -0.288 3.677 3.960 0.007 0.000 0.217 730 G HA3 -0.288 3.677 3.960 0.007 0.000 0.217 730 G C 1.639 176.597 174.900 0.097 0.000 1.198 730 G CA 0.946 46.011 45.100 -0.058 0.000 0.780 730 G HN 0.587 nan 8.290 nan 0.000 0.565 731 R N -0.050 120.670 120.500 0.368 0.000 2.241 731 R HA 0.132 4.476 4.340 0.007 0.000 0.224 731 R C 2.462 178.857 176.300 0.159 0.000 1.101 731 R CA 0.333 56.632 56.100 0.332 0.000 0.995 731 R CB -0.380 30.062 30.300 0.237 0.000 0.870 731 R HN 0.351 nan 8.270 nan 0.000 0.463 732 L N 0.087 121.374 121.223 0.107 0.000 2.179 732 L HA -0.031 4.313 4.340 0.007 0.000 0.208 732 L C 2.371 179.267 176.870 0.044 0.000 1.096 732 L CA 0.768 55.647 54.840 0.065 0.000 0.779 732 L CB -0.197 41.892 42.059 0.051 0.000 0.922 732 L HN 0.187 nan 8.230 nan 0.000 0.443 733 A N -0.925 121.911 122.820 0.025 0.000 2.030 733 A HA -0.149 4.176 4.320 0.007 0.000 0.215 733 A C 2.135 179.724 177.584 0.008 0.000 1.164 733 A CA 0.871 52.906 52.037 -0.004 0.000 0.697 733 A CB -0.178 18.793 19.000 -0.049 0.000 0.827 733 A HN 0.413 nan 8.150 nan 0.000 0.457 734 E N 0.114 120.343 120.200 0.048 0.000 2.072 734 E HA -0.096 4.258 4.350 0.007 0.000 0.190 734 E C 0.810 177.460 176.600 0.083 0.000 0.982 734 E CA 1.486 57.943 56.400 0.094 0.000 0.803 734 E CB 0.042 29.891 29.700 0.247 0.000 0.755 734 E HN 0.316 nan 8.360 nan 0.000 0.453 735 V N 1.911 121.872 119.914 0.079 0.000 3.563 735 V HA 0.057 4.181 4.120 0.007 0.000 0.299 735 V C 1.085 177.205 176.094 0.043 0.000 1.290 735 V CA 0.801 63.136 62.300 0.059 0.000 1.201 735 V CB -0.491 31.366 31.823 0.056 0.000 1.045 735 V HN 0.242 nan 8.190 nan 0.000 0.425 736 N N 0.250 118.973 118.700 0.038 0.000 2.397 736 N HA 0.133 4.877 4.740 0.007 0.000 0.190 736 N C 0.560 176.085 175.510 0.025 0.000 1.099 736 N CA 0.003 53.069 53.050 0.027 0.000 0.876 736 N CB 0.140 38.640 38.487 0.021 0.000 1.143 736 N HN 0.463 nan 8.380 nan 0.000 0.468 737 L N 2.618 123.857 121.223 0.027 0.000 2.565 737 L HA 0.080 4.424 4.340 0.007 0.000 0.275 737 L C 0.485 177.374 176.870 0.033 0.000 1.137 737 L CA 0.001 54.857 54.840 0.027 0.000 0.915 737 L CB 0.129 42.205 42.059 0.029 0.000 1.232 737 L HN 0.115 nan 8.230 nan 0.000 0.473 738 K N 2.055 122.473 120.400 0.030 0.000 2.285 738 K HA -0.039 4.285 4.320 0.007 0.000 0.255 738 K C 0.327 176.951 176.600 0.040 0.000 1.000 738 K CA -0.312 55.994 56.287 0.033 0.000 0.887 738 K CB 0.537 33.054 32.500 0.029 0.000 0.997 738 K HN 0.414 nan 8.250 nan 0.000 0.510 739 D N 0.390 120.814 120.400 0.041 0.000 2.317 739 D HA -0.047 4.597 4.640 0.007 0.000 0.211 739 D C 1.294 177.630 176.300 0.060 0.000 0.966 739 D CA 0.709 54.736 54.000 0.046 0.000 0.876 739 D CB -0.067 40.756 40.800 0.039 0.000 0.927 739 D HN 0.427 nan 8.370 nan 0.000 0.519 740 L N -1.600 119.658 121.223 0.059 0.000 2.592 740 L HA 0.275 4.619 4.340 0.007 0.000 0.227 740 L C 0.338 177.255 176.870 0.077 0.000 1.127 740 L CA -0.226 54.658 54.840 0.073 0.000 0.884 740 L CB -0.585 41.509 42.059 0.058 0.000 1.065 740 L HN -0.247 nan 8.230 nan 0.000 0.457 741 N N 1.158 119.898 118.700 0.068 0.000 2.405 741 N HA 0.049 4.794 4.740 0.007 0.000 0.260 741 N C 0.871 176.438 175.510 0.095 0.000 1.152 741 N CA -0.218 52.867 53.050 0.058 0.000 0.948 741 N CB 0.440 38.951 38.487 0.041 0.000 1.111 741 N HN 0.179 nan 8.380 nan 0.000 0.485 742 N N 2.842 121.594 118.700 0.085 0.000 2.149 742 N HA -0.152 4.592 4.740 0.007 0.000 0.188 742 N C 1.379 177.016 175.510 0.212 0.000 1.019 742 N CA 1.106 54.262 53.050 0.177 0.000 0.857 742 N CB -0.204 38.201 38.487 -0.136 0.000 0.997 742 N HN 0.366 nan 8.380 nan 0.000 0.426 743 V N 1.257 121.226 119.914 0.093 0.000 2.358 743 V HA -0.154 3.971 4.120 0.007 0.000 0.246 743 V C 2.399 178.546 176.094 0.089 0.000 1.047 743 V CA 1.387 63.735 62.300 0.080 0.000 1.035 743 V CB -0.590 31.248 31.823 0.026 0.000 0.658 743 V HN 0.270 nan 8.190 nan 0.000 0.452 744 K N -0.134 120.314 120.400 0.078 0.000 2.147 744 K HA -0.195 4.129 4.320 0.007 0.000 0.205 744 K C 2.273 178.921 176.600 0.080 0.000 1.049 744 K CA 1.419 57.749 56.287 0.071 0.000 0.936 744 K CB -0.059 32.477 32.500 0.061 0.000 0.722 744 K HN 0.553 nan 8.250 nan 0.000 0.446 745 Q N -0.319 119.548 119.800 0.111 0.000 2.172 745 Q HA -0.061 4.284 4.340 0.007 0.000 0.200 745 Q C 2.028 178.053 176.000 0.042 0.000 0.964 745 Q CA 1.242 57.094 55.803 0.082 0.000 0.855 745 Q CB 0.071 28.883 28.738 0.123 0.000 0.918 745 Q HN 0.362 nan 8.270 nan 0.000 0.444 746 M N -0.439 119.224 119.600 0.105 0.000 2.254 746 M HA -0.118 4.366 4.480 0.007 0.000 0.265 746 M C 2.032 178.360 176.300 0.046 0.000 1.066 746 M CA 0.812 56.153 55.300 0.068 0.000 1.123 746 M CB 0.232 32.921 32.600 0.148 0.000 1.388 746 M HN 0.037 nan 8.290 nan 0.000 0.425 747 V N 0.113 120.062 119.914 0.059 0.000 2.453 747 V HA -0.233 3.892 4.120 0.007 0.000 0.247 747 V C 2.193 178.312 176.094 0.041 0.000 1.048 747 V CA 1.495 63.827 62.300 0.054 0.000 1.049 747 V CB -0.412 31.451 31.823 0.067 0.000 0.672 747 V HN 0.500 nan 8.190 nan 0.000 0.457 748 M N -0.550 119.070 119.600 0.034 0.000 2.460 748 M HA -0.064 4.420 4.480 0.007 0.000 0.263 748 M C 1.995 178.295 176.300 -0.001 0.000 1.071 748 M CA 1.558 56.870 55.300 0.019 0.000 1.096 748 M CB -0.204 32.406 32.600 0.017 0.000 1.408 748 M HN 0.407 nan 8.290 nan 0.000 0.463 749 A N -0.936 121.878 122.820 -0.010 0.000 2.044 749 A HA 0.378 4.702 4.320 0.007 0.000 0.213 749 A C 1.708 179.285 177.584 -0.012 0.000 1.169 749 A CA 0.896 52.916 52.037 -0.028 0.000 0.724 749 A CB -0.331 18.633 19.000 -0.059 0.000 0.840 749 A HN 0.542 nan 8.150 nan 0.000 0.463 750 G N -0.271 108.531 108.800 0.004 0.000 2.136 750 G HA2 -0.297 3.667 3.960 0.007 0.000 0.242 750 G HA3 -0.297 3.667 3.960 0.007 0.000 0.242 750 G C 1.133 176.040 174.900 0.012 0.000 0.989 750 G CA 1.337 46.445 45.100 0.013 0.000 0.682 750 G HN 1.337 nan 8.290 nan 0.000 0.522 751 S N -1.250 114.455 115.700 0.009 0.000 2.362 751 S HA 0.352 4.827 4.470 0.007 0.000 0.221 751 S C 0.913 175.529 174.600 0.027 0.000 1.032 751 S CA 1.295 59.501 58.200 0.010 0.000 0.973 751 S CB 0.488 63.686 63.200 -0.003 0.000 0.849 751 S HN 0.394 nan 8.310 nan 0.000 0.465 752 K N 0.624 121.047 120.400 0.039 0.000 2.542 752 K HA 0.555 4.879 4.320 0.007 0.000 0.259 752 K C -0.163 176.463 176.600 0.043 0.000 0.932 752 K CA 0.311 56.623 56.287 0.041 0.000 0.820 752 K CB 1.726 34.254 32.500 0.048 0.000 1.345 752 K HN 0.571 nan 8.250 nan 0.000 0.432 753 G N 1.025 109.847 108.800 0.036 0.000 2.712 753 G HA2 -0.073 3.891 3.960 0.007 0.000 0.683 753 G HA3 -0.073 3.891 3.960 0.007 0.000 0.683 753 G C -0.602 174.327 174.900 0.048 0.000 1.320 753 G CA -0.132 44.990 45.100 0.036 0.000 0.847 753 G HN 1.019 nan 8.290 nan 0.000 0.553 754 S N -1.525 114.208 115.700 0.055 0.000 2.929 754 S HA 0.724 5.198 4.470 0.007 0.000 0.311 754 S C 0.746 175.417 174.600 0.118 0.000 1.213 754 S CA 0.393 58.650 58.200 0.094 0.000 0.908 754 S CB 1.001 64.262 63.200 0.102 0.000 1.287 754 S HN 1.840 nan 8.310 nan 0.000 0.594 755 F N 1.455 121.418 119.950 0.022 0.000 2.146 755 F HA 0.118 4.649 4.527 0.007 0.000 0.298 755 F C 1.914 177.731 175.800 0.028 0.000 1.096 755 F CA 1.398 59.412 58.000 0.024 0.000 1.275 755 F CB -0.245 38.767 39.000 0.021 0.000 1.008 755 F HN 0.445 nan 8.300 nan 0.000 0.480 756 I N 0.976 121.622 120.570 0.127 0.000 2.127 756 I HA -0.350 3.824 4.170 0.007 0.000 0.241 756 I C 2.002 178.085 176.117 -0.057 0.000 1.075 756 I CA 1.387 62.705 61.300 0.030 0.000 1.334 756 I CB -1.745 36.316 38.000 0.102 0.000 1.040 756 I HN 0.248 nan 8.210 nan 0.000 0.405 757 N N 1.293 119.977 118.700 -0.025 0.000 2.132 757 N HA -0.203 4.541 4.740 0.007 0.000 0.191 757 N C 1.764 177.227 175.510 -0.079 0.000 1.015 757 N CA 1.451 54.476 53.050 -0.042 0.000 0.864 757 N CB -0.235 38.238 38.487 -0.022 0.000 1.006 757 N HN 0.323 nan 8.380 nan 0.000 0.430 758 I N 1.091 121.579 120.570 -0.138 0.000 2.233 758 I HA -0.096 4.078 4.170 0.007 0.000 0.243 758 I C 2.460 178.450 176.117 -0.212 0.000 1.093 758 I CA 0.533 61.730 61.300 -0.172 0.000 1.380 758 I CB -1.685 36.187 38.000 -0.213 0.000 1.067 758 I HN 0.004 nan 8.210 nan 0.000 0.413 759 A N 0.459 123.075 122.820 -0.340 0.000 1.902 759 A HA -0.210 4.114 4.320 0.007 0.000 0.217 759 A C 2.274 179.791 177.584 -0.112 0.000 1.181 759 A CA 1.371 53.230 52.037 -0.297 0.000 0.623 759 A CB -0.587 18.196 19.000 -0.363 0.000 0.818 759 A HN 0.521 nan 8.150 nan 0.000 0.443 760 Q N -0.940 118.836 119.800 -0.040 0.000 2.083 760 Q HA -0.055 4.290 4.340 0.007 0.000 0.198 760 Q C 2.194 178.299 176.000 0.175 0.000 0.969 760 Q CA 1.509 57.365 55.803 0.088 0.000 0.838 760 Q CB -0.274 28.601 28.738 0.229 0.000 0.900 760 Q HN 0.719 nan 8.270 nan 0.000 0.436 761 M N -0.280 119.384 119.600 0.107 0.000 2.296 761 M HA -0.082 4.403 4.480 0.007 0.000 0.265 761 M C 1.719 178.042 176.300 0.039 0.000 1.064 761 M CA 1.101 56.459 55.300 0.096 0.000 1.109 761 M CB 0.175 32.779 32.600 0.007 0.000 1.396 761 M HN 0.003 nan 8.290 nan 0.000 0.430 762 S N -0.864 114.830 115.700 -0.009 0.000 2.539 762 S HA 0.334 4.808 4.470 0.007 0.000 0.226 762 S C 1.562 176.145 174.600 -0.030 0.000 1.054 762 S CA 0.349 58.535 58.200 -0.022 0.000 0.910 762 S CB 0.561 63.739 63.200 -0.037 0.000 0.818 762 S HN 0.470 nan 8.310 nan 0.000 0.490 763 A N 0.637 123.431 122.820 -0.043 0.000 2.068 763 A HA 0.603 4.928 4.320 0.007 0.000 0.206 763 A C 0.716 178.267 177.584 -0.055 0.000 1.822 763 A CA 0.785 52.797 52.037 -0.041 0.000 0.899 763 A CB -0.120 18.856 19.000 -0.040 0.000 1.251 763 A HN 0.855 nan 8.150 nan 0.000 0.599 764 C N -2.156 117.099 119.300 -0.076 0.000 3.302 764 C HA 0.556 5.021 4.460 0.007 0.000 0.347 764 C C 0.936 175.823 174.990 -0.171 0.000 1.218 764 C CA -0.029 58.903 59.018 -0.144 0.000 1.234 764 C CB 0.785 28.449 27.740 -0.127 0.000 1.551 764 C HN 1.282 nan 8.230 nan 0.000 0.501 765 V N 1.609 121.337 119.914 -0.309 0.000 3.354 765 V HA 0.637 4.762 4.120 0.007 0.000 0.258 765 V C 1.323 177.286 176.094 -0.218 0.000 1.159 765 V CA 2.211 64.332 62.300 -0.299 0.000 1.125 765 V CB -0.543 30.910 31.823 -0.618 0.000 0.774 765 V HN 2.981 nan 8.190 nan 0.000 0.464 766 G N 0.845 109.466 108.800 -0.299 0.000 2.527 766 G HA2 -0.252 3.713 3.960 0.007 0.000 0.227 766 G HA3 -0.252 3.713 3.960 0.007 0.000 0.227 766 G C -0.436 174.425 174.900 -0.066 0.000 1.291 766 G CA 0.253 45.294 45.100 -0.098 0.000 0.904 766 G HN 1.071 nan 8.290 nan 0.000 0.577 767 Q N 0.616 120.575 119.800 0.265 0.000 2.303 767 Q HA 0.582 4.926 4.340 0.007 0.000 0.257 767 Q C 0.213 176.272 176.000 0.098 0.000 0.941 767 Q CA -0.295 55.663 55.803 0.258 0.000 0.931 767 Q CB 0.876 29.766 28.738 0.254 0.000 1.215 767 Q HN 0.531 nan 8.270 nan 0.000 0.437 768 Q N 1.575 121.410 119.800 0.058 0.000 2.306 768 Q HA 0.438 4.782 4.340 0.007 0.000 0.241 768 Q C -0.754 175.281 176.000 0.059 0.000 0.948 768 Q CA -0.129 55.716 55.803 0.070 0.000 0.886 768 Q CB 1.713 30.515 28.738 0.106 0.000 1.227 768 Q HN 0.780 nan 8.270 nan 0.000 0.457 769 S N -0.078 115.657 115.700 0.058 0.000 2.541 769 S HA 0.691 5.165 4.470 0.007 0.000 0.280 769 S C -1.044 173.577 174.600 0.035 0.000 1.112 769 S CA -0.698 57.526 58.200 0.041 0.000 0.925 769 S CB 1.665 64.887 63.200 0.035 0.000 1.067 769 S HN 0.243 nan 8.310 nan 0.000 0.479 770 V N 2.983 122.914 119.914 0.028 0.000 2.588 770 V HA 0.525 4.650 4.120 0.007 0.000 0.304 770 V C -0.112 175.995 176.094 0.021 0.000 1.042 770 V CA -0.532 61.780 62.300 0.020 0.000 0.877 770 V CB 1.204 33.037 31.823 0.016 0.000 0.996 770 V HN 1.164 nan 8.190 nan 0.000 0.425 771 E N 3.749 123.961 120.200 0.019 0.000 2.228 771 E HA -0.316 4.038 4.350 0.007 0.000 0.213 771 E C 1.313 177.927 176.600 0.024 0.000 1.282 771 E CA 0.651 57.064 56.400 0.022 0.000 0.707 771 E CB -1.100 28.614 29.700 0.023 0.000 1.150 771 E HN 1.426 nan 8.360 nan 0.000 0.362 772 G N 0.009 108.823 108.800 0.023 0.000 3.078 772 G HA2 -0.427 3.537 3.960 0.007 0.000 0.227 772 G HA3 -0.427 3.537 3.960 0.007 0.000 0.227 772 G C 0.377 175.290 174.900 0.022 0.000 1.306 772 G CA 0.848 45.962 45.100 0.023 0.000 0.841 772 G HN 0.317 nan 8.290 nan 0.000 0.530 773 K N 2.313 122.728 120.400 0.025 0.000 2.270 773 K HA 0.432 4.756 4.320 0.007 0.000 0.276 773 K C 1.174 177.784 176.600 0.017 0.000 1.023 773 K CA -0.352 55.950 56.287 0.024 0.000 0.955 773 K CB 0.713 33.235 32.500 0.035 0.000 0.975 773 K HN 0.733 nan 8.250 nan 0.000 0.471 774 R N 2.371 122.875 120.500 0.007 0.000 2.861 774 R HA 0.031 4.376 4.340 0.007 0.000 0.268 774 R C 0.066 176.351 176.300 -0.025 0.000 1.027 774 R CA -0.485 55.610 56.100 -0.009 0.000 1.163 774 R CB 0.007 30.291 30.300 -0.027 0.000 1.060 774 R HN 0.453 nan 8.270 nan 0.000 0.483 775 I N 1.307 121.857 120.570 -0.034 0.000 3.045 775 I HA -0.130 4.044 4.170 0.007 0.000 0.306 775 I C 0.816 176.865 176.117 -0.114 0.000 1.232 775 I CA 0.648 61.939 61.300 -0.015 0.000 1.415 775 I CB -1.110 36.932 38.000 0.071 0.000 1.364 775 I HN 0.722 nan 8.210 nan 0.000 0.538 776 A N 7.442 130.219 122.820 -0.072 0.000 2.264 776 A HA 0.653 4.977 4.320 0.007 0.000 0.304 776 A C -0.351 177.161 177.584 -0.121 0.000 1.100 776 A CA -0.537 51.435 52.037 -0.109 0.000 0.839 776 A CB 0.382 19.398 19.000 0.026 0.000 1.121 776 A HN 0.464 nan 8.150 nan 0.000 0.496 777 F N 0.816 120.802 119.950 0.061 0.000 2.538 777 F HA 0.375 4.906 4.527 0.007 0.000 0.371 777 F C 1.530 177.354 175.800 0.041 0.000 1.087 777 F CA 1.298 59.325 58.000 0.046 0.000 1.250 777 F CB 0.855 39.882 39.000 0.045 0.000 1.110 777 F HN 0.686 nan 8.300 nan 0.000 0.570 778 G N 2.890 111.790 108.800 0.168 0.000 2.618 778 G HA2 -0.009 3.955 3.960 0.007 0.000 0.222 778 G HA3 -0.009 3.955 3.960 0.007 0.000 0.222 778 G C -0.025 175.052 174.900 0.294 0.000 1.520 778 G CA -0.340 44.831 45.100 0.118 0.000 0.930 778 G HN 0.348 nan 8.290 nan 0.000 0.547 779 F N 2.439 122.459 119.950 0.116 0.000 2.152 779 F HA -0.056 4.476 4.527 0.007 0.000 0.381 779 F C 1.983 177.836 175.800 0.088 0.000 0.998 779 F CA -0.815 57.238 58.000 0.088 0.000 0.900 779 F CB -1.661 37.392 39.000 0.088 0.000 0.756 779 F HN -0.084 nan 8.300 nan 0.000 0.494 780 V N 1.777 121.814 119.914 0.205 0.000 2.241 780 V HA -0.371 3.754 4.120 0.007 0.000 0.256 780 V C 1.647 177.700 176.094 -0.069 0.000 1.060 780 V CA 2.416 64.770 62.300 0.091 0.000 1.065 780 V CB -0.426 31.407 31.823 0.017 0.000 0.685 780 V HN 0.551 nan 8.190 nan 0.000 0.467 781 D N 0.373 120.608 120.400 -0.275 0.000 2.427 781 D HA 0.202 4.846 4.640 0.007 0.000 0.224 781 D C 0.586 176.263 176.300 -1.039 0.000 1.157 781 D CA 0.149 53.655 54.000 -0.823 0.000 0.828 781 D CB 0.032 40.557 40.800 -0.458 0.000 0.974 781 D HN 0.667 nan 8.370 nan 0.000 0.498 782 R N -1.993 118.346 120.500 -0.268 0.000 2.663 782 R HA 0.306 4.650 4.340 0.007 0.000 0.267 782 R C -0.114 176.661 176.300 0.792 0.000 1.038 782 R CA -0.514 55.873 56.100 0.478 0.000 0.886 782 R CB 0.394 30.874 30.300 0.300 0.000 1.249 782 R HN -0.301 nan 8.270 nan 0.000 0.463 783 T N 1.164 116.066 114.554 0.580 0.000 2.770 783 T HA 0.165 4.519 4.350 0.007 0.000 0.258 783 T C 0.874 175.609 174.700 0.058 0.000 1.039 783 T CA 0.823 63.064 62.100 0.236 0.000 1.143 783 T CB -0.102 68.903 68.868 0.227 0.000 0.866 783 T HN 0.356 nan 8.240 nan 0.000 0.428 784 L N 0.334 121.751 121.223 0.324 0.000 2.333 784 L HA 0.392 4.736 4.340 0.007 0.000 0.263 784 L C -2.223 174.933 176.870 0.478 0.000 1.014 784 L CA -2.586 52.413 54.840 0.264 0.000 0.820 784 L CB 2.117 44.377 42.059 0.336 0.000 1.352 784 L HN -0.193 nan 8.230 nan 0.000 0.421 785 P HA -0.045 nan 4.420 nan 0.000 0.247 785 P C 0.627 177.836 177.300 -0.152 0.000 1.225 785 P CA 0.795 63.966 63.100 0.118 0.000 0.768 785 P CB -0.067 31.597 31.700 -0.060 0.000 1.020 786 H N -2.121 116.927 119.070 -0.036 0.000 2.548 786 H HA 0.171 4.732 4.556 0.007 0.000 0.265 786 H C 0.315 175.354 175.328 -0.481 0.000 0.969 786 H CA 0.426 56.291 56.048 -0.305 0.000 1.155 786 H CB 0.004 29.477 29.762 -0.482 0.000 1.394 786 H HN 0.196 nan 8.280 nan 0.000 0.570 787 F N 0.112 120.185 119.950 0.204 0.000 2.598 787 F HA 0.308 4.839 4.527 0.007 0.000 0.327 787 F C 0.816 176.684 175.800 0.113 0.000 1.057 787 F CA -1.011 57.086 58.000 0.162 0.000 0.957 787 F CB 1.265 40.380 39.000 0.192 0.000 1.278 787 F HN -0.228 nan 8.300 nan 0.000 0.484 788 S N -0.091 115.791 115.700 0.305 0.000 2.641 788 S HA 0.339 4.814 4.470 0.007 0.000 0.261 788 S C -0.288 174.391 174.600 0.131 0.000 1.257 788 S CA -0.877 57.423 58.200 0.165 0.000 0.983 788 S CB 0.543 63.817 63.200 0.125 0.000 0.990 788 S HN 0.393 nan 8.310 nan 0.000 0.572 789 K N 0.624 121.047 120.400 0.038 0.000 2.098 789 K HA 0.264 4.588 4.320 0.007 0.000 0.257 789 K C -0.643 175.895 176.600 -0.103 0.000 0.999 789 K CA -0.388 55.861 56.287 -0.064 0.000 0.924 789 K CB 0.299 32.745 32.500 -0.090 0.000 1.028 789 K HN 0.472 nan 8.250 nan 0.000 0.466 790 D N 1.157 121.395 120.400 -0.270 0.000 2.800 790 D HA -0.174 4.470 4.640 0.007 0.000 0.232 790 D C -1.033 175.162 176.300 -0.174 0.000 1.137 790 D CA 1.099 54.943 54.000 -0.259 0.000 0.718 790 D CB -0.963 39.806 40.800 -0.053 0.000 1.084 790 D HN 0.504 nan 8.370 nan 0.000 0.432 791 D N -0.569 119.729 120.400 -0.170 0.000 2.454 791 D HA 0.251 4.896 4.640 0.007 0.000 0.225 791 D C 0.285 176.554 176.300 -0.051 0.000 1.081 791 D CA -0.465 53.519 54.000 -0.026 0.000 0.864 791 D CB 0.163 40.982 40.800 0.032 0.000 1.040 791 D HN 0.071 nan 8.370 nan 0.000 0.517 792 Y N 1.082 121.475 120.300 0.156 0.000 2.458 792 Y HA 0.116 4.670 4.550 0.007 0.000 0.256 792 Y C 1.414 177.385 175.900 0.118 0.000 1.159 792 Y CA -0.368 57.843 58.100 0.185 0.000 1.261 792 Y CB 0.042 38.662 38.460 0.267 0.000 1.119 792 Y HN 0.254 nan 8.280 nan 0.000 0.524 793 S N 1.676 117.482 115.700 0.177 0.000 2.560 793 S HA -0.039 4.435 4.470 0.007 0.000 0.276 793 S C -1.406 173.178 174.600 -0.026 0.000 1.350 793 S CA -0.911 57.332 58.200 0.072 0.000 1.024 793 S CB 0.492 63.717 63.200 0.041 0.000 0.864 793 S HN 0.093 nan 8.310 nan 0.000 0.536 794 P HA -0.230 nan 4.420 nan 0.000 0.214 794 P C 1.424 178.683 177.300 -0.068 0.000 1.163 794 P CA 1.920 64.973 63.100 -0.079 0.000 0.889 794 P CB -0.167 31.476 31.700 -0.096 0.000 0.790 795 E N -0.214 119.946 120.200 -0.067 0.000 2.204 795 E HA -0.109 4.245 4.350 0.007 0.000 0.194 795 E C 2.180 178.532 176.600 -0.414 0.000 0.989 795 E CA 1.167 57.485 56.400 -0.137 0.000 0.824 795 E CB -0.782 28.916 29.700 -0.004 0.000 0.756 795 E HN 0.124 nan 8.360 nan 0.000 0.477 796 S N 0.258 115.643 115.700 -0.526 0.000 2.461 796 S HA -0.009 4.465 4.470 0.007 0.000 0.228 796 S C 1.536 175.797 174.600 -0.566 0.000 1.005 796 S CA 0.562 58.262 58.200 -0.833 0.000 0.942 796 S CB 0.023 62.819 63.200 -0.674 0.000 0.776 796 S HN 0.169 nan 8.310 nan 0.000 0.514 797 K N 0.011 120.137 120.400 -0.457 0.000 2.455 797 K HA 0.297 4.621 4.320 0.007 0.000 0.206 797 K C 0.294 176.630 176.600 -0.440 0.000 1.027 797 K CA 0.375 56.421 56.287 -0.401 0.000 1.113 797 K CB 0.758 33.105 32.500 -0.254 0.000 0.850 797 K HN 0.372 nan 8.250 nan 0.000 0.503 798 G N 1.951 110.304 108.800 -0.744 0.000 2.309 798 G HA2 -0.225 3.739 3.960 0.007 0.000 0.183 798 G HA3 -0.225 3.739 3.960 0.007 0.000 0.183 798 G C -0.822 173.905 174.900 -0.288 0.000 1.063 798 G CA -0.670 43.930 45.100 -0.834 0.000 0.768 798 G HN 0.249 nan 8.290 nan 0.000 0.490 799 F N 1.587 121.319 119.950 -0.363 0.000 2.388 799 F HA 0.624 5.155 4.527 0.007 0.000 0.358 799 F C 0.262 175.965 175.800 -0.160 0.000 1.122 799 F CA -1.207 56.670 58.000 -0.204 0.000 1.056 799 F CB 1.763 40.672 39.000 -0.153 0.000 1.155 799 F HN 0.084 nan 8.300 nan 0.000 0.461 800 V N 7.374 126.827 119.914 -0.767 0.000 2.356 800 V HA 0.070 4.194 4.120 0.007 0.000 0.258 800 V C 1.150 176.719 176.094 -0.874 0.000 1.065 800 V CA -0.092 61.836 62.300 -0.619 0.000 0.935 800 V CB 0.772 32.321 31.823 -0.455 0.000 1.061 800 V HN 0.931 nan 8.190 nan 0.000 0.484 801 E N 4.224 124.088 120.200 -0.560 0.000 2.274 801 E HA -0.078 4.276 4.350 0.007 0.000 0.194 801 E C 0.729 177.183 176.600 -0.244 0.000 0.996 801 E CA 0.469 56.653 56.400 -0.362 0.000 0.840 801 E CB 0.350 30.009 29.700 -0.070 0.000 0.772 801 E HN 0.747 nan 8.360 nan 0.000 0.491 802 N N 0.399 118.952 118.700 -0.245 0.000 2.477 802 N HA 0.120 4.865 4.740 0.007 0.000 0.284 802 N C -0.646 174.717 175.510 -0.245 0.000 1.182 802 N CA -0.099 52.842 53.050 -0.182 0.000 0.949 802 N CB 1.823 40.232 38.487 -0.131 0.000 1.204 802 N HN 0.017 nan 8.380 nan 0.000 0.526 803 S N -0.320 115.274 115.700 -0.176 0.000 2.687 803 S HA 0.296 4.770 4.470 0.007 0.000 0.283 803 S C 0.813 175.316 174.600 -0.162 0.000 1.170 803 S CA -0.577 57.520 58.200 -0.172 0.000 1.008 803 S CB 0.385 63.548 63.200 -0.062 0.000 1.026 803 S HN 0.509 nan 8.310 nan 0.000 0.541 804 Y N 0.179 120.428 120.300 -0.084 0.000 2.465 804 Y HA -0.057 4.498 4.550 0.007 0.000 0.289 804 Y C 2.106 177.974 175.900 -0.054 0.000 1.150 804 Y CA 0.590 58.651 58.100 -0.064 0.000 1.293 804 Y CB -0.155 38.274 38.460 -0.051 0.000 0.977 804 Y HN 0.513 nan 8.280 nan 0.000 0.556 805 L N 0.287 121.562 121.223 0.087 0.000 2.209 805 L HA -0.048 4.297 4.340 0.007 0.000 0.207 805 L C 1.873 178.745 176.870 0.003 0.000 1.094 805 L CA 1.615 56.475 54.840 0.033 0.000 0.790 805 L CB -0.424 41.644 42.059 0.016 0.000 0.932 805 L HN 0.180 nan 8.230 nan 0.000 0.447 806 R N -0.055 120.436 120.500 -0.016 0.000 2.080 806 R HA 0.233 4.577 4.340 0.007 0.000 0.222 806 R C 0.400 176.678 176.300 -0.038 0.000 1.107 806 R CA 0.678 56.759 56.100 -0.031 0.000 0.980 806 R CB 0.027 30.300 30.300 -0.046 0.000 0.879 806 R HN 0.497 nan 8.270 nan 0.000 0.439 807 G N 0.529 109.298 108.800 -0.053 0.000 2.764 807 G HA2 -0.040 3.924 3.960 0.007 0.000 0.678 807 G HA3 -0.040 3.924 3.960 0.007 0.000 0.678 807 G C -1.392 173.458 174.900 -0.084 0.000 1.341 807 G CA -1.106 43.957 45.100 -0.061 0.000 0.836 807 G HN -0.060 nan 8.290 nan 0.000 0.632 808 L N 1.577 122.747 121.223 -0.088 0.000 2.439 808 L HA 0.737 5.081 4.340 0.007 0.000 0.261 808 L C 1.734 178.608 176.870 0.007 0.000 1.153 808 L CA 0.328 55.136 54.840 -0.052 0.000 0.808 808 L CB 1.171 43.237 42.059 0.011 0.000 1.126 808 L HN 0.998 nan 8.230 nan 0.000 0.460 809 T N -1.152 113.437 114.554 0.059 0.000 2.897 809 T HA 0.451 4.805 4.350 0.007 0.000 0.278 809 T C -1.978 172.809 174.700 0.144 0.000 0.981 809 T CA -1.710 60.435 62.100 0.075 0.000 0.973 809 T CB 1.018 69.929 68.868 0.072 0.000 1.092 809 T HN 0.360 nan 8.240 nan 0.000 0.543 810 P HA -0.172 nan 4.420 nan 0.000 0.213 810 P C 1.661 179.035 177.300 0.123 0.000 1.176 810 P CA 1.413 64.568 63.100 0.091 0.000 0.919 810 P CB -0.052 31.633 31.700 -0.026 0.000 0.791 811 Q N -0.186 119.670 119.800 0.093 0.000 1.956 811 Q HA -0.229 4.115 4.340 0.007 0.000 0.208 811 Q C 2.204 178.458 176.000 0.424 0.000 0.998 811 Q CA 1.950 57.878 55.803 0.208 0.000 0.855 811 Q CB -0.940 28.102 28.738 0.507 0.000 0.928 811 Q HN 0.324 nan 8.270 nan 0.000 0.418 812 E N -0.299 120.218 120.200 0.529 0.000 2.149 812 E HA -0.279 4.075 4.350 0.007 0.000 0.215 812 E C 1.703 178.569 176.600 0.444 0.000 1.055 812 E CA 1.550 58.234 56.400 0.474 0.000 0.870 812 E CB -0.362 29.451 29.700 0.188 0.000 0.764 812 E HN 0.263 nan 8.360 nan 0.000 0.463 813 F N 0.096 120.159 119.950 0.187 0.000 2.202 813 F HA -0.191 4.340 4.527 0.007 0.000 0.301 813 F C 1.910 177.777 175.800 0.112 0.000 1.082 813 F CA 1.240 59.329 58.000 0.148 0.000 1.313 813 F CB -0.348 38.711 39.000 0.099 0.000 1.024 813 F HN -0.002 nan 8.300 nan 0.000 0.495 814 F N -0.709 119.092 119.950 -0.249 0.000 2.187 814 F HA -0.084 4.448 4.527 0.007 0.000 0.295 814 F C 1.961 177.548 175.800 -0.355 0.000 1.091 814 F CA 1.153 58.883 58.000 -0.450 0.000 1.308 814 F CB -0.696 38.025 39.000 -0.466 0.000 1.030 814 F HN -0.101 nan 8.300 nan 0.000 0.487 815 F N 0.026 120.014 119.950 0.065 0.000 2.043 815 F HA -0.255 4.276 4.527 0.007 0.000 0.297 815 F C 2.698 178.465 175.800 -0.054 0.000 1.121 815 F CA 2.175 60.184 58.000 0.014 0.000 1.199 815 F CB -1.524 37.517 39.000 0.069 0.000 0.968 815 F HN 0.079 nan 8.300 nan 0.000 0.478 816 H N 0.174 119.295 119.070 0.085 0.000 2.390 816 H HA -0.127 4.434 4.556 0.007 0.000 0.298 816 H C 2.069 177.326 175.328 -0.118 0.000 1.106 816 H CA 1.394 57.450 56.048 0.013 0.000 1.297 816 H CB -0.576 29.245 29.762 0.098 0.000 1.375 816 H HN 0.164 nan 8.280 nan 0.000 0.509 817 A N 0.258 122.822 122.820 -0.425 0.000 1.933 817 A HA -0.165 4.159 4.320 0.007 0.000 0.218 817 A C 2.577 179.871 177.584 -0.483 0.000 1.175 817 A CA 1.747 53.422 52.037 -0.603 0.000 0.628 817 A CB -0.649 17.814 19.000 -0.895 0.000 0.814 817 A HN 0.517 nan 8.150 nan 0.000 0.444 818 M N -0.796 118.532 119.600 -0.453 0.000 2.229 818 M HA -0.061 4.423 4.480 0.007 0.000 0.264 818 M C 2.234 178.439 176.300 -0.159 0.000 1.063 818 M CA 1.225 56.331 55.300 -0.322 0.000 1.114 818 M CB -0.369 32.092 32.600 -0.232 0.000 1.387 818 M HN 0.523 nan 8.290 nan 0.000 0.420 819 G N -0.211 108.531 108.800 -0.097 0.000 2.404 819 G HA2 -0.077 3.887 3.960 0.007 0.000 0.214 819 G HA3 -0.077 3.887 3.960 0.007 0.000 0.214 819 G C 1.510 176.377 174.900 -0.056 0.000 1.189 819 G CA 0.743 45.830 45.100 -0.022 0.000 0.789 819 G HN 0.520 nan 8.290 nan 0.000 0.533 820 G N 0.659 109.382 108.800 -0.129 0.000 2.469 820 G HA2 -0.284 3.680 3.960 0.007 0.000 0.220 820 G HA3 -0.284 3.680 3.960 0.007 0.000 0.220 820 G C 1.874 176.705 174.900 -0.115 0.000 1.136 820 G CA 1.347 46.362 45.100 -0.143 0.000 0.759 820 G HN 0.471 nan 8.290 nan 0.000 0.562 821 R N 0.600 121.013 120.500 -0.144 0.000 2.092 821 R HA 0.005 4.349 4.340 0.007 0.000 0.231 821 R C 2.365 178.620 176.300 -0.075 0.000 1.119 821 R CA 1.818 57.847 56.100 -0.118 0.000 0.970 821 R CB -0.509 29.702 30.300 -0.148 0.000 0.864 821 R HN 0.504 nan 8.270 nan 0.000 0.440 822 E N -1.052 119.111 120.200 -0.063 0.000 2.110 822 E HA -0.126 4.228 4.350 0.007 0.000 0.193 822 E C 1.741 178.327 176.600 -0.024 0.000 0.988 822 E CA 1.240 57.620 56.400 -0.035 0.000 0.804 822 E CB -0.339 29.348 29.700 -0.021 0.000 0.745 822 E HN 0.541 nan 8.360 nan 0.000 0.458 823 G N 1.261 110.047 108.800 -0.023 0.000 2.459 823 G HA2 -0.274 3.690 3.960 0.007 0.000 0.217 823 G HA3 -0.274 3.690 3.960 0.007 0.000 0.217 823 G C 1.539 176.428 174.900 -0.018 0.000 1.183 823 G CA 0.959 46.051 45.100 -0.013 0.000 0.776 823 G HN 0.216 nan 8.290 nan 0.000 0.552 824 L N 0.327 121.532 121.223 -0.029 0.000 2.079 824 L HA -0.092 4.252 4.340 0.007 0.000 0.210 824 L C 2.801 179.657 176.870 -0.024 0.000 1.081 824 L CA 0.437 55.260 54.840 -0.028 0.000 0.752 824 L CB -0.412 41.625 42.059 -0.038 0.000 0.896 824 L HN 0.127 nan 8.230 nan 0.000 0.433 825 I N 0.750 121.305 120.570 -0.026 0.000 2.202 825 I HA -0.246 3.929 4.170 0.007 0.000 0.242 825 I C 2.301 178.409 176.117 -0.014 0.000 1.091 825 I CA 1.781 63.069 61.300 -0.021 0.000 1.368 825 I CB -1.270 36.717 38.000 -0.022 0.000 1.058 825 I HN 0.428 nan 8.210 nan 0.000 0.410 826 D N -0.425 119.969 120.400 -0.010 0.000 2.183 826 D HA -0.134 4.510 4.640 0.007 0.000 0.203 826 D C 1.888 178.186 176.300 -0.004 0.000 0.969 826 D CA 1.216 55.214 54.000 -0.004 0.000 0.842 826 D CB -0.883 39.918 40.800 0.001 0.000 0.957 826 D HN 0.122 nan 8.370 nan 0.000 0.484 827 T N 0.278 114.829 114.554 -0.006 0.000 2.635 827 T HA -0.165 4.189 4.350 0.007 0.000 0.267 827 T C 1.970 176.665 174.700 -0.008 0.000 1.040 827 T CA 2.155 64.251 62.100 -0.007 0.000 1.156 827 T CB -0.647 68.215 68.868 -0.009 0.000 0.863 827 T HN 0.416 nan 8.240 nan 0.000 0.430 828 A N 0.053 122.866 122.820 -0.011 0.000 2.239 828 A HA 0.189 4.513 4.320 0.007 0.000 0.209 828 A C 2.069 179.647 177.584 -0.011 0.000 1.171 828 A CA 0.630 52.660 52.037 -0.012 0.000 0.768 828 A CB -0.211 18.780 19.000 -0.015 0.000 0.790 828 A HN 0.401 nan 8.150 nan 0.000 0.478 829 V N -1.699 118.210 119.914 -0.007 0.000 3.539 829 V HA 0.012 4.136 4.120 0.007 0.000 0.262 829 V C 1.973 178.069 176.094 0.004 0.000 1.381 829 V CA 0.854 63.151 62.300 -0.004 0.000 1.060 829 V CB 0.107 31.927 31.823 -0.005 0.000 0.842 829 V HN 0.435 nan 8.190 nan 0.000 0.445 830 K N 0.572 120.974 120.400 0.004 0.000 1.973 830 K HA -0.112 4.212 4.320 0.007 0.000 0.210 830 K C 2.104 178.710 176.600 0.010 0.000 1.045 830 K CA 2.011 58.303 56.287 0.009 0.000 0.937 830 K CB -0.470 32.033 32.500 0.005 0.000 0.721 830 K HN 0.354 nan 8.250 nan 0.000 0.438 831 T N 1.296 115.852 114.554 0.002 0.000 2.849 831 T HA -0.162 4.192 4.350 0.007 0.000 0.270 831 T C 1.897 176.604 174.700 0.011 0.000 1.066 831 T CA 1.257 63.358 62.100 0.001 0.000 1.130 831 T CB -0.282 68.581 68.868 -0.008 0.000 0.864 831 T HN 0.331 nan 8.240 nan 0.000 0.481 832 A N 1.656 124.482 122.820 0.009 0.000 1.858 832 A HA -0.129 4.195 4.320 0.007 0.000 0.216 832 A C 2.233 179.841 177.584 0.041 0.000 1.190 832 A CA 1.566 53.610 52.037 0.012 0.000 0.617 832 A CB -0.522 18.474 19.000 -0.007 0.000 0.827 832 A HN 0.526 nan 8.150 nan 0.000 0.443 833 E N -1.128 119.099 120.200 0.045 0.000 2.152 833 E HA -0.086 4.268 4.350 0.007 0.000 0.192 833 E C 2.014 178.679 176.600 0.108 0.000 0.983 833 E CA 1.282 57.733 56.400 0.086 0.000 0.818 833 E CB -0.113 29.625 29.700 0.064 0.000 0.758 833 E HN 0.608 nan 8.360 nan 0.000 0.467 834 T N -0.268 114.322 114.554 0.061 0.000 2.737 834 T HA -0.104 4.250 4.350 0.007 0.000 0.265 834 T C 1.806 176.532 174.700 0.043 0.000 1.038 834 T CA 1.227 63.350 62.100 0.038 0.000 1.144 834 T CB -0.356 68.517 68.868 0.008 0.000 0.866 834 T HN 0.320 nan 8.240 nan 0.000 0.434 835 G N -0.698 108.134 108.800 0.054 0.000 2.598 835 G HA2 -0.142 3.823 3.960 0.007 0.000 0.215 835 G HA3 -0.142 3.823 3.960 0.007 0.000 0.215 835 G C 1.225 176.193 174.900 0.114 0.000 1.131 835 G CA 0.151 45.282 45.100 0.053 0.000 0.785 835 G HN 0.495 nan 8.290 nan 0.000 0.539 836 Y N 0.687 120.988 120.300 0.001 0.000 2.347 836 Y HA 0.158 4.712 4.550 0.007 0.000 0.294 836 Y C 2.336 178.262 175.900 0.045 0.000 1.117 836 Y CA -0.310 57.799 58.100 0.015 0.000 1.184 836 Y CB 0.068 38.535 38.460 0.010 0.000 1.047 836 Y HN 0.030 nan 8.280 nan 0.000 0.546 837 I N 0.601 121.169 120.570 -0.003 0.000 2.045 837 I HA -0.339 3.835 4.170 0.007 0.000 0.233 837 I C 2.516 178.586 176.117 -0.078 0.000 1.048 837 I CA 1.540 62.802 61.300 -0.064 0.000 1.313 837 I CB -1.584 36.413 38.000 -0.005 0.000 1.043 837 I HN 0.264 nan 8.210 nan 0.000 0.393 838 Q N 0.661 120.436 119.800 -0.042 0.000 2.082 838 Q HA -0.290 4.054 4.340 0.007 0.000 0.211 838 Q C 2.463 178.439 176.000 -0.041 0.000 1.002 838 Q CA 2.401 58.175 55.803 -0.048 0.000 0.868 838 Q CB -0.326 28.386 28.738 -0.043 0.000 0.931 838 Q HN 0.408 nan 8.270 nan 0.000 0.414 839 R N -0.279 120.210 120.500 -0.019 0.000 2.096 839 R HA -0.119 4.225 4.340 0.007 0.000 0.235 839 R C 2.405 178.747 176.300 0.069 0.000 1.127 839 R CA 1.471 57.586 56.100 0.024 0.000 0.968 839 R CB 0.016 30.346 30.300 0.050 0.000 0.861 839 R HN 0.129 nan 8.270 nan 0.000 0.440 840 R N 0.115 120.620 120.500 0.008 0.000 2.061 840 R HA -0.040 4.304 4.340 0.007 0.000 0.230 840 R C 2.359 178.627 176.300 -0.053 0.000 1.140 840 R CA 1.643 57.809 56.100 0.109 0.000 0.940 840 R CB -0.425 29.872 30.300 -0.004 0.000 0.839 840 R HN 0.188 nan 8.270 nan 0.000 0.429 841 L N 0.130 121.289 121.223 -0.107 0.000 1.991 841 L HA -0.295 4.049 4.340 0.007 0.000 0.221 841 L C 2.371 179.135 176.870 -0.176 0.000 1.079 841 L CA 1.612 56.355 54.840 -0.161 0.000 0.778 841 L CB -0.848 41.142 42.059 -0.115 0.000 0.893 841 L HN 0.124 nan 8.230 nan 0.000 0.437 842 V N -0.446 119.405 119.914 -0.106 0.000 2.380 842 V HA -0.275 3.850 4.120 0.007 0.000 0.251 842 V C 2.510 178.541 176.094 -0.104 0.000 1.063 842 V CA 1.662 63.907 62.300 -0.090 0.000 1.055 842 V CB -0.520 31.274 31.823 -0.047 0.000 0.657 842 V HN 0.384 nan 8.190 nan 0.000 0.455 843 K N -0.503 119.849 120.400 -0.081 0.000 2.365 843 K HA 0.172 4.496 4.320 0.007 0.000 0.197 843 K C 2.034 178.439 176.600 -0.326 0.000 1.042 843 K CA 1.024 57.264 56.287 -0.079 0.000 0.987 843 K CB -0.001 32.584 32.500 0.141 0.000 0.779 843 K HN 0.483 nan 8.250 nan 0.000 0.484 844 A N 0.504 122.929 122.820 -0.658 0.000 2.021 844 A HA 0.057 4.381 4.320 0.007 0.000 0.216 844 A C 1.968 179.229 177.584 -0.539 0.000 1.163 844 A CA 0.659 52.004 52.037 -1.154 0.000 0.676 844 A CB -0.030 18.097 19.000 -1.455 0.000 0.818 844 A HN 0.130 nan 8.150 nan 0.000 0.453 845 L N -2.477 118.543 121.223 -0.338 0.000 2.356 845 L HA 0.150 4.494 4.340 0.007 0.000 0.193 845 L C 1.749 178.524 176.870 -0.159 0.000 1.087 845 L CA 0.683 55.396 54.840 -0.212 0.000 0.817 845 L CB -0.792 41.169 42.059 -0.164 0.000 1.035 845 L HN 0.477 nan 8.230 nan 0.000 0.482 846 E N 1.169 121.284 120.200 -0.142 0.000 3.566 846 E HA -0.415 3.940 4.350 0.007 0.000 0.485 846 E C 0.958 177.488 176.600 -0.116 0.000 1.666 846 E CA 2.378 58.710 56.400 -0.114 0.000 1.181 846 E CB -0.720 28.920 29.700 -0.100 0.000 1.166 846 E HN 0.721 nan 8.360 nan 0.000 0.391 847 D N 0.877 121.209 120.400 -0.112 0.000 2.392 847 D HA -0.090 4.554 4.640 0.007 0.000 0.228 847 D C 0.699 176.912 176.300 -0.144 0.000 1.003 847 D CA 0.406 54.335 54.000 -0.119 0.000 0.917 847 D CB -0.319 40.422 40.800 -0.099 0.000 0.890 847 D HN 0.137 nan 8.370 nan 0.000 0.532 848 I N 2.208 122.697 120.570 -0.135 0.000 2.483 848 I HA 0.125 4.299 4.170 0.007 0.000 0.291 848 I C 0.677 176.691 176.117 -0.171 0.000 1.112 848 I CA 0.069 61.288 61.300 -0.136 0.000 1.350 848 I CB -0.602 37.339 38.000 -0.099 0.000 1.419 848 I HN 0.160 nan 8.210 nan 0.000 0.523 849 M N 5.492 124.945 119.600 -0.246 0.000 2.658 849 M HA 0.642 5.126 4.480 0.007 0.000 0.295 849 M C -0.666 175.444 176.300 -0.316 0.000 1.248 849 M CA -0.894 54.227 55.300 -0.298 0.000 0.843 849 M CB 1.813 34.205 32.600 -0.347 0.000 1.749 849 M HN -0.046 nan 8.290 nan 0.000 0.464 850 V N 1.650 121.412 119.914 -0.254 0.000 3.484 850 V HA 0.138 4.262 4.120 0.007 0.000 0.304 850 V C -0.256 175.793 176.094 -0.075 0.000 1.116 850 V CA 0.578 62.813 62.300 -0.107 0.000 1.187 850 V CB 0.003 31.766 31.823 -0.100 0.000 1.062 850 V HN 1.072 nan 8.190 nan 0.000 0.489 851 H N 1.063 120.084 119.070 -0.081 0.000 3.993 851 H HA 0.301 4.861 4.556 0.007 0.000 0.502 851 H C -0.392 175.015 175.328 0.132 0.000 1.827 851 H CA -0.506 55.469 56.048 -0.123 0.000 1.653 851 H CB -0.609 29.011 29.762 -0.238 0.000 2.833 851 H HN 0.602 nan 8.280 nan 0.000 0.386 852 Y N 0.159 120.514 120.300 0.092 0.000 2.785 852 Y HA -0.323 4.232 4.550 0.007 0.000 0.468 852 Y C 0.363 176.266 175.900 0.005 0.000 1.399 852 Y CA 0.762 58.891 58.100 0.049 0.000 2.264 852 Y CB -0.711 37.783 38.460 0.057 0.000 0.991 852 Y HN 0.817 nan 8.280 nan 0.000 0.493 853 D N 2.556 123.034 120.400 0.130 0.000 2.339 853 D HA -0.009 4.635 4.640 0.007 0.000 0.256 853 D C 0.276 176.642 176.300 0.111 0.000 1.214 853 D CA 0.063 54.111 54.000 0.079 0.000 0.877 853 D CB 0.600 41.417 40.800 0.028 0.000 1.111 853 D HN 0.304 nan 8.370 nan 0.000 0.478 854 N N 2.333 121.106 118.700 0.122 0.000 2.678 854 N HA -0.105 4.639 4.740 0.007 0.000 0.199 854 N C 0.632 176.230 175.510 0.146 0.000 1.353 854 N CA 0.165 53.297 53.050 0.137 0.000 0.916 854 N CB 0.178 38.731 38.487 0.110 0.000 1.057 854 N HN 0.518 nan 8.380 nan 0.000 0.449 855 T N -1.145 113.492 114.554 0.138 0.000 4.326 855 T HA 0.132 4.487 4.350 0.007 0.000 0.368 855 T C -0.154 174.624 174.700 0.130 0.000 1.189 855 T CA 0.480 62.653 62.100 0.122 0.000 0.907 855 T CB 0.457 69.363 68.868 0.064 0.000 1.887 855 T HN 0.085 nan 8.240 nan 0.000 0.509 856 T N 1.583 116.180 114.554 0.071 0.000 3.933 856 T HA 0.516 4.870 4.350 0.007 0.000 0.357 856 T C -1.096 173.599 174.700 -0.008 0.000 1.077 856 T CA -0.662 61.468 62.100 0.051 0.000 1.082 856 T CB 1.006 69.924 68.868 0.084 0.000 1.158 856 T HN 0.497 nan 8.240 nan 0.000 0.472 857 R N 1.589 122.093 120.500 0.006 0.000 2.752 857 R HA 0.538 4.882 4.340 0.007 0.000 0.271 857 R C -0.735 175.541 176.300 -0.040 0.000 1.026 857 R CA -0.919 55.187 56.100 0.010 0.000 0.901 857 R CB 1.817 32.194 30.300 0.128 0.000 1.243 857 R HN 0.754 nan 8.270 nan 0.000 0.463 858 N N -1.453 117.225 118.700 -0.036 0.000 2.717 858 N HA 0.163 4.907 4.740 0.007 0.000 0.314 858 N C 0.618 176.107 175.510 -0.034 0.000 1.324 858 N CA -0.402 52.614 53.050 -0.057 0.000 0.902 858 N CB 0.050 38.503 38.487 -0.056 0.000 1.126 858 N HN 0.410 nan 8.380 nan 0.000 0.579 859 S N -0.693 114.981 115.700 -0.042 0.000 2.387 859 S HA -0.043 4.431 4.470 0.007 0.000 0.226 859 S C 1.797 176.387 174.600 -0.016 0.000 1.026 859 S CA 0.747 58.928 58.200 -0.032 0.000 0.972 859 S CB -0.942 62.233 63.200 -0.043 0.000 0.814 859 S HN 0.471 nan 8.310 nan 0.000 0.477 860 L N 1.378 122.590 121.223 -0.018 0.000 2.275 860 L HA 0.173 4.517 4.340 0.007 0.000 0.215 860 L C 1.945 178.814 176.870 -0.002 0.000 1.119 860 L CA 0.741 55.573 54.840 -0.013 0.000 0.790 860 L CB -1.114 40.936 42.059 -0.015 0.000 0.919 860 L HN 0.575 nan 8.230 nan 0.000 0.443 861 G N -0.238 108.567 108.800 0.007 0.000 2.132 861 G HA2 -0.244 3.720 3.960 0.007 0.000 0.228 861 G HA3 -0.244 3.720 3.960 0.007 0.000 0.228 861 G C -0.222 174.676 174.900 -0.003 0.000 1.000 861 G CA -0.276 44.835 45.100 0.018 0.000 0.693 861 G HN 0.333 nan 8.290 nan 0.000 0.515 862 N N 0.274 118.965 118.700 -0.014 0.000 2.430 862 N HA 0.445 5.189 4.740 0.007 0.000 0.265 862 N C 0.630 176.103 175.510 -0.062 0.000 1.100 862 N CA -0.192 52.840 53.050 -0.030 0.000 0.961 862 N CB 1.608 40.082 38.487 -0.023 0.000 1.075 862 N HN 0.176 nan 8.380 nan 0.000 0.478 863 V N 3.783 123.632 119.914 -0.109 0.000 2.715 863 V HA 0.070 4.194 4.120 0.007 0.000 0.299 863 V C 1.362 177.310 176.094 -0.245 0.000 1.054 863 V CA 0.037 62.201 62.300 -0.227 0.000 1.077 863 V CB 0.561 32.115 31.823 -0.448 0.000 0.972 863 V HN 0.522 nan 8.190 nan 0.000 0.484 864 I N 1.872 122.300 120.570 -0.237 0.000 3.523 864 I HA 0.218 4.392 4.170 0.007 0.000 0.244 864 I C 0.755 176.743 176.117 -0.215 0.000 1.110 864 I CA 0.583 61.780 61.300 -0.171 0.000 1.517 864 I CB -0.537 37.408 38.000 -0.091 0.000 1.505 864 I HN 0.557 nan 8.210 nan 0.000 0.460 865 Q N 0.209 119.907 119.800 -0.171 0.000 2.282 865 Q HA 0.370 4.715 4.340 0.007 0.000 0.260 865 Q C 0.060 175.966 176.000 -0.158 0.000 0.964 865 Q CA -0.477 55.267 55.803 -0.097 0.000 0.880 865 Q CB 2.358 31.109 28.738 0.021 0.000 1.286 865 Q HN 0.115 nan 8.270 nan 0.000 0.445 866 F N 1.008 120.986 119.950 0.046 0.000 2.416 866 F HA 0.117 4.648 4.527 0.007 0.000 0.296 866 F C 0.681 176.516 175.800 0.059 0.000 1.099 866 F CA 0.561 58.589 58.000 0.047 0.000 1.427 866 F CB 0.524 39.542 39.000 0.030 0.000 1.079 866 F HN 0.349 nan 8.300 nan 0.000 0.536 867 I N -1.277 119.427 120.570 0.223 0.000 2.512 867 I HA 0.138 4.313 4.170 0.007 0.000 0.287 867 I C -0.939 175.261 176.117 0.137 0.000 1.069 867 I CA -1.398 59.999 61.300 0.162 0.000 1.056 867 I CB 1.121 39.195 38.000 0.123 0.000 1.229 867 I HN -0.207 nan 8.210 nan 0.000 0.429 868 Y N 6.134 126.464 120.300 0.050 0.000 2.865 868 Y HA 0.200 4.754 4.550 0.007 0.000 0.338 868 Y C 1.400 177.324 175.900 0.041 0.000 1.269 868 Y CA 1.177 59.296 58.100 0.031 0.000 1.585 868 Y CB 0.250 38.721 38.460 0.020 0.000 1.224 868 Y HN 0.902 nan 8.280 nan 0.000 0.554 869 G N 4.567 113.000 108.800 -0.611 0.000 2.203 869 G HA2 -0.368 3.597 3.960 0.007 0.000 0.263 869 G HA3 -0.368 3.597 3.960 0.007 0.000 0.263 869 G C 0.443 175.262 174.900 -0.135 0.000 1.012 869 G CA 0.625 45.422 45.100 -0.504 0.000 0.749 869 G HN 0.990 nan 8.290 nan 0.000 0.512 870 E N -1.926 118.243 120.200 -0.051 0.000 3.916 870 E HA -0.287 4.067 4.350 0.007 0.000 0.331 870 E C 1.026 177.635 176.600 0.015 0.000 0.729 870 E CA 1.546 57.958 56.400 0.020 0.000 1.222 870 E CB -0.910 28.816 29.700 0.044 0.000 1.633 870 E HN 0.859 nan 8.360 nan 0.000 0.437 871 D N -0.854 119.544 120.400 -0.003 0.000 2.460 871 D HA 0.100 4.744 4.640 0.007 0.000 0.263 871 D C 1.028 177.340 176.300 0.021 0.000 1.209 871 D CA 0.767 54.777 54.000 0.017 0.000 0.818 871 D CB 0.116 40.923 40.800 0.013 0.000 1.239 871 D HN 0.311 nan 8.370 nan 0.000 0.530 872 G N 1.574 110.397 108.800 0.039 0.000 2.295 872 G HA2 -0.236 3.728 3.960 0.007 0.000 0.287 872 G HA3 -0.236 3.728 3.960 0.007 0.000 0.287 872 G C -0.293 174.628 174.900 0.035 0.000 1.055 872 G CA 0.733 45.884 45.100 0.086 0.000 0.922 872 G HN 0.385 nan 8.290 nan 0.000 0.503 873 M N 0.356 119.983 119.600 0.046 0.000 2.393 873 M HA 0.517 5.001 4.480 0.007 0.000 0.316 873 M C -0.325 176.072 176.300 0.162 0.000 1.087 873 M CA -1.373 53.926 55.300 -0.001 0.000 0.937 873 M CB 1.710 34.265 32.600 -0.075 0.000 1.668 873 M HN 0.171 nan 8.290 nan 0.000 0.438 874 D N 2.381 122.878 120.400 0.162 0.000 2.389 874 D HA 0.348 4.993 4.640 0.007 0.000 0.247 874 D C 0.587 177.035 176.300 0.247 0.000 1.128 874 D CA 0.339 54.502 54.000 0.271 0.000 0.884 874 D CB 1.404 42.377 40.800 0.289 0.000 1.194 874 D HN 0.718 nan 8.370 nan 0.000 0.441 875 A N 3.645 126.605 122.820 0.234 0.000 2.168 875 A HA 0.103 4.427 4.320 0.007 0.000 0.215 875 A C 1.995 179.669 177.584 0.149 0.000 1.152 875 A CA 1.421 53.561 52.037 0.171 0.000 0.716 875 A CB -0.475 18.611 19.000 0.143 0.000 0.794 875 A HN 0.631 nan 8.150 nan 0.000 0.465 876 A N -0.416 122.470 122.820 0.109 0.000 1.877 876 A HA -0.179 4.145 4.320 0.007 0.000 0.216 876 A C 2.040 179.561 177.584 -0.105 0.000 1.186 876 A CA 1.526 53.528 52.037 -0.059 0.000 0.620 876 A CB -0.856 18.020 19.000 -0.207 0.000 0.822 876 A HN 0.692 nan 8.150 nan 0.000 0.443 877 H N -0.757 118.352 119.070 0.064 0.000 2.372 877 H HA 0.125 4.685 4.556 0.007 0.000 0.301 877 H C 0.635 176.036 175.328 0.122 0.000 1.065 877 H CA 0.509 56.597 56.048 0.065 0.000 1.364 877 H CB -0.314 29.460 29.762 0.019 0.000 1.406 877 H HN 0.366 nan 8.280 nan 0.000 0.521 878 I N 2.377 123.087 120.570 0.233 0.000 2.948 878 I HA -0.184 3.991 4.170 0.007 0.000 0.303 878 I C 0.278 176.530 176.117 0.225 0.000 1.224 878 I CA 1.324 62.749 61.300 0.207 0.000 1.442 878 I CB 0.320 38.432 38.000 0.187 0.000 1.328 878 I HN 0.282 nan 8.210 nan 0.000 0.578 879 E N 4.579 124.887 120.200 0.180 0.000 2.408 879 E HA 0.311 4.666 4.350 0.007 0.000 0.275 879 E C -1.131 175.513 176.600 0.072 0.000 0.935 879 E CA -1.175 55.283 56.400 0.096 0.000 0.775 879 E CB 1.877 31.586 29.700 0.014 0.000 1.277 879 E HN 0.356 nan 8.360 nan 0.000 0.455 880 K N 1.929 122.329 120.400 0.001 0.000 2.383 880 K HA 0.102 4.426 4.320 0.007 0.000 0.286 880 K C -0.869 175.713 176.600 -0.031 0.000 1.051 880 K CA 0.438 56.707 56.287 -0.031 0.000 0.974 880 K CB 0.442 32.882 32.500 -0.100 0.000 0.968 880 K HN 0.364 nan 8.250 nan 0.000 0.475 881 Q N 2.434 122.228 119.800 -0.009 0.000 2.271 881 Q HA 0.129 4.473 4.340 0.007 0.000 0.268 881 Q C -1.022 174.970 176.000 -0.014 0.000 1.021 881 Q CA -0.782 55.020 55.803 -0.002 0.000 0.802 881 Q CB 2.104 30.865 28.738 0.039 0.000 1.282 881 Q HN 0.809 nan 8.270 nan 0.000 0.431 882 S N 2.392 118.074 115.700 -0.030 0.000 2.549 882 S HA 0.267 4.741 4.470 0.007 0.000 0.286 882 S C 0.057 174.663 174.600 0.010 0.000 1.314 882 S CA -0.395 57.785 58.200 -0.033 0.000 1.062 882 S CB 0.231 63.414 63.200 -0.029 0.000 0.865 882 S HN 0.523 nan 8.310 nan 0.000 0.498 883 L N 3.483 124.718 121.223 0.020 0.000 2.288 883 L HA 0.282 4.626 4.340 0.007 0.000 0.283 883 L C 0.815 177.727 176.870 0.071 0.000 1.072 883 L CA -0.553 54.316 54.840 0.048 0.000 0.862 883 L CB 0.368 42.460 42.059 0.054 0.000 1.245 883 L HN 0.734 nan 8.230 nan 0.000 0.432 884 D N 0.878 121.341 120.400 0.104 0.000 2.144 884 D HA -0.144 4.500 4.640 0.007 0.000 0.199 884 D C 1.736 178.149 176.300 0.189 0.000 0.984 884 D CA 1.551 55.650 54.000 0.165 0.000 0.834 884 D CB 0.160 41.106 40.800 0.243 0.000 0.955 884 D HN 0.565 nan 8.370 nan 0.000 0.465 885 T N 1.718 116.349 114.554 0.128 0.000 2.759 885 T HA -0.132 4.223 4.350 0.007 0.000 0.269 885 T C 2.102 176.815 174.700 0.022 0.000 1.042 885 T CA 0.441 62.574 62.100 0.054 0.000 1.140 885 T CB 0.031 68.884 68.868 -0.026 0.000 0.864 885 T HN 0.140 nan 8.240 nan 0.000 0.455 886 I N 1.185 121.796 120.570 0.068 0.000 2.226 886 I HA -0.001 4.173 4.170 0.007 0.000 0.245 886 I C 1.787 177.995 176.117 0.151 0.000 1.100 886 I CA 0.913 62.275 61.300 0.104 0.000 1.374 886 I CB -1.436 36.638 38.000 0.122 0.000 1.057 886 I HN 0.273 nan 8.210 nan 0.000 0.413 887 G N -0.783 108.099 108.800 0.138 0.000 2.531 887 G HA2 0.522 4.486 3.960 0.007 0.000 0.313 887 G HA3 0.522 4.486 3.960 0.007 0.000 0.313 887 G C -0.173 174.802 174.900 0.126 0.000 1.238 887 G CA 0.266 45.463 45.100 0.162 0.000 0.994 887 G HN 0.564 nan 8.290 nan 0.000 0.493 888 G N -1.416 107.452 108.800 0.114 0.000 2.675 888 G HA2 0.263 4.227 3.960 0.007 0.000 0.686 888 G HA3 0.263 4.227 3.960 0.007 0.000 0.686 888 G C -0.163 174.776 174.900 0.065 0.000 1.215 888 G CA -0.162 45.005 45.100 0.111 0.000 0.777 888 G HN 1.281 nan 8.290 nan 0.000 0.638 889 S N 0.537 116.283 115.700 0.078 0.000 2.601 889 S HA 0.387 4.861 4.470 0.007 0.000 0.271 889 S C 1.124 175.779 174.600 0.091 0.000 1.305 889 S CA -0.237 57.992 58.200 0.048 0.000 1.022 889 S CB 1.684 64.914 63.200 0.050 0.000 0.940 889 S HN 0.623 nan 8.310 nan 0.000 0.525 890 D N 1.550 121.976 120.400 0.045 0.000 2.221 890 D HA -0.125 4.519 4.640 0.007 0.000 0.204 890 D C 1.836 178.235 176.300 0.165 0.000 0.982 890 D CA 1.183 55.236 54.000 0.090 0.000 0.857 890 D CB -0.013 40.805 40.800 0.030 0.000 0.934 890 D HN 0.627 nan 8.370 nan 0.000 0.475 891 A N 0.812 123.704 122.820 0.120 0.000 1.903 891 A HA 0.129 4.453 4.320 0.007 0.000 0.213 891 A C 2.270 179.936 177.584 0.137 0.000 1.185 891 A CA 1.361 53.469 52.037 0.118 0.000 0.628 891 A CB -0.332 18.712 19.000 0.073 0.000 0.830 891 A HN 0.200 nan 8.150 nan 0.000 0.446 892 A N -1.566 121.336 122.820 0.137 0.000 2.066 892 A HA 0.100 4.425 4.320 0.007 0.000 0.218 892 A C 1.879 179.587 177.584 0.206 0.000 1.157 892 A CA 1.264 53.380 52.037 0.131 0.000 0.670 892 A CB -0.592 18.473 19.000 0.108 0.000 0.804 892 A HN 0.584 nan 8.150 nan 0.000 0.453 893 F N 0.583 120.608 119.950 0.124 0.000 2.118 893 F HA -0.018 4.513 4.527 0.007 0.000 0.293 893 F C 2.135 178.107 175.800 0.287 0.000 1.102 893 F CA 1.824 59.950 58.000 0.210 0.000 1.247 893 F CB -0.331 38.749 39.000 0.134 0.000 1.017 893 F HN 0.314 nan 8.300 nan 0.000 0.475 894 E N 0.544 120.918 120.200 0.290 0.000 2.021 894 E HA -0.331 4.023 4.350 0.007 0.000 0.200 894 E C 2.282 178.935 176.600 0.088 0.000 1.015 894 E CA 1.688 58.231 56.400 0.238 0.000 0.824 894 E CB -0.400 29.464 29.700 0.274 0.000 0.762 894 E HN 0.269 nan 8.360 nan 0.000 0.454 895 K N 0.654 121.089 120.400 0.059 0.000 2.169 895 K HA -0.310 4.015 4.320 0.007 0.000 0.213 895 K C 2.114 178.648 176.600 -0.110 0.000 1.050 895 K CA 1.810 58.072 56.287 -0.041 0.000 0.935 895 K CB -0.126 32.359 32.500 -0.025 0.000 0.722 895 K HN 0.020 nan 8.250 nan 0.000 0.468 896 R N -1.541 118.875 120.500 -0.140 0.000 2.075 896 R HA -0.084 4.260 4.340 0.007 0.000 0.226 896 R C 1.616 177.579 176.300 -0.562 0.000 1.114 896 R CA 1.672 57.549 56.100 -0.371 0.000 0.972 896 R CB 0.066 30.102 30.300 -0.440 0.000 0.869 896 R HN 0.353 nan 8.270 nan 0.000 0.437 897 Y N -1.421 118.723 120.300 -0.259 0.000 2.467 897 Y HA 0.207 4.762 4.550 0.007 0.000 0.259 897 Y C 0.433 176.327 175.900 -0.010 0.000 1.084 897 Y CA -0.578 57.387 58.100 -0.225 0.000 1.275 897 Y CB 0.405 38.551 38.460 -0.523 0.000 1.208 897 Y HN -0.212 nan 8.280 nan 0.000 0.511 898 R N 1.645 122.270 120.500 0.207 0.000 2.370 898 R HA 0.356 4.700 4.340 0.007 0.000 0.309 898 R C -1.400 174.918 176.300 0.031 0.000 1.059 898 R CA 0.097 56.274 56.100 0.127 0.000 0.981 898 R CB 0.209 30.485 30.300 -0.039 0.000 0.972 898 R HN -0.079 nan 8.270 nan 0.000 0.437 899 V N 5.431 125.354 119.914 0.015 0.000 2.326 899 V HA 0.226 4.351 4.120 0.007 0.000 0.281 899 V C -0.773 175.306 176.094 -0.025 0.000 1.015 899 V CA -0.660 61.635 62.300 -0.008 0.000 0.823 899 V CB 1.318 33.133 31.823 -0.013 0.000 1.009 899 V HN 0.732 nan 8.190 nan 0.000 0.436 900 D N 3.962 124.357 120.400 -0.007 0.000 2.414 900 D HA 0.429 5.073 4.640 0.007 0.000 0.232 900 D C 0.709 177.003 176.300 -0.009 0.000 1.070 900 D CA -0.252 53.731 54.000 -0.027 0.000 0.839 900 D CB 1.769 42.543 40.800 -0.043 0.000 1.079 900 D HN 0.338 nan 8.370 nan 0.000 0.521 901 L N 2.735 123.944 121.223 -0.024 0.000 2.162 901 L HA 0.099 4.443 4.340 0.007 0.000 0.205 901 L C 1.051 177.909 176.870 -0.020 0.000 1.086 901 L CA 0.511 55.339 54.840 -0.020 0.000 0.778 901 L CB -0.125 41.920 42.059 -0.024 0.000 0.928 901 L HN 0.358 nan 8.230 nan 0.000 0.446 902 L N 1.318 122.523 121.223 -0.029 0.000 2.391 902 L HA 0.264 4.609 4.340 0.007 0.000 0.249 902 L C -0.463 176.385 176.870 -0.037 0.000 1.308 902 L CA 0.003 54.823 54.840 -0.032 0.000 1.209 902 L CB -0.825 41.211 42.059 -0.039 0.000 1.401 902 L HN 0.186 nan 8.230 nan 0.000 0.416 903 N N -0.153 118.535 118.700 -0.019 0.000 4.647 903 N HA -0.073 4.672 4.740 0.007 0.000 0.168 903 N C 0.338 175.862 175.510 0.024 0.000 1.199 903 N CA -0.073 52.971 53.050 -0.010 0.000 0.960 903 N CB 0.929 39.393 38.487 -0.038 0.000 1.638 903 N HN 0.134 nan 8.380 nan 0.000 0.911 904 T N 0.598 115.161 114.554 0.014 0.000 3.077 904 T HA -0.041 4.313 4.350 0.007 0.000 0.269 904 T C 0.267 174.985 174.700 0.029 0.000 1.146 904 T CA 1.411 63.520 62.100 0.014 0.000 1.091 904 T CB 0.033 68.902 68.868 0.003 0.000 0.892 904 T HN 0.407 nan 8.240 nan 0.000 0.533 905 D N -1.113 119.331 120.400 0.074 0.000 2.398 905 D HA 0.191 4.835 4.640 0.007 0.000 0.210 905 D C 0.490 176.863 176.300 0.121 0.000 1.094 905 D CA 0.166 54.227 54.000 0.101 0.000 0.839 905 D CB 0.384 41.269 40.800 0.141 0.000 0.963 905 D HN 0.390 nan 8.370 nan 0.000 0.506 906 H N -1.618 117.427 119.070 -0.042 0.000 3.007 906 H HA 0.286 4.846 4.556 0.007 0.000 0.251 906 H C -0.271 175.024 175.328 -0.055 0.000 1.188 906 H CA -0.034 55.983 56.048 -0.051 0.000 1.017 906 H CB 0.610 30.335 29.762 -0.061 0.000 1.805 906 H HN -0.156 nan 8.280 nan 0.000 0.659 907 T N 0.811 115.385 114.554 0.032 0.000 2.874 907 T HA 0.325 4.680 4.350 0.007 0.000 0.281 907 T C 0.425 175.106 174.700 -0.032 0.000 0.994 907 T CA -0.732 61.366 62.100 -0.003 0.000 1.015 907 T CB 1.137 70.001 68.868 -0.007 0.000 1.028 907 T HN 0.104 nan 8.240 nan 0.000 0.523 908 L N 2.515 123.715 121.223 -0.038 0.000 2.433 908 L HA 0.162 4.506 4.340 0.007 0.000 0.275 908 L C 0.764 177.609 176.870 -0.043 0.000 1.128 908 L CA -0.541 54.269 54.840 -0.050 0.000 0.875 908 L CB -0.161 41.866 42.059 -0.054 0.000 1.171 908 L HN 0.593 nan 8.230 nan 0.000 0.463 909 D N 5.996 126.369 120.400 -0.044 0.000 2.533 909 D HA -0.019 4.625 4.640 0.007 0.000 0.236 909 D C -1.525 174.755 176.300 -0.033 0.000 1.137 909 D CA -1.381 52.598 54.000 -0.036 0.000 0.867 909 D CB 1.161 41.940 40.800 -0.036 0.000 1.170 909 D HN 0.245 nan 8.370 nan 0.000 0.474 910 P HA -0.094 nan 4.420 nan 0.000 0.231 910 P C 0.751 178.038 177.300 -0.023 0.000 1.154 910 P CA 0.687 63.772 63.100 -0.025 0.000 0.762 910 P CB 0.232 31.919 31.700 -0.020 0.000 0.790 911 S N -1.750 113.936 115.700 -0.023 0.000 2.524 911 S HA 0.130 4.605 4.470 0.007 0.000 0.216 911 S C 1.377 175.964 174.600 -0.022 0.000 0.987 911 S CA 0.134 58.323 58.200 -0.019 0.000 0.909 911 S CB -0.458 62.733 63.200 -0.016 0.000 0.781 911 S HN 0.039 nan 8.310 nan 0.000 0.521 912 L N 0.410 121.615 121.223 -0.030 0.000 2.408 912 L HA 0.436 4.780 4.340 0.007 0.000 0.215 912 L C 0.404 177.247 176.870 -0.045 0.000 1.081 912 L CA 0.152 54.969 54.840 -0.038 0.000 0.840 912 L CB 0.188 42.218 42.059 -0.049 0.000 1.002 912 L HN 0.261 nan 8.230 nan 0.000 0.468 913 L N -0.016 121.181 121.223 -0.043 0.000 2.370 913 L HA 0.249 4.593 4.340 0.007 0.000 0.266 913 L C 0.785 177.633 176.870 -0.037 0.000 1.002 913 L CA 0.002 54.814 54.840 -0.047 0.000 0.818 913 L CB 2.215 44.241 42.059 -0.054 0.000 1.325 913 L HN -0.018 nan 8.230 nan 0.000 0.418 914 E N 0.485 120.663 120.200 -0.037 0.000 2.153 914 E HA -0.121 4.233 4.350 0.007 0.000 0.194 914 E C 1.030 177.614 176.600 -0.027 0.000 0.988 914 E CA 1.642 58.025 56.400 -0.029 0.000 0.811 914 E CB 0.484 30.167 29.700 -0.028 0.000 0.746 914 E HN 0.687 nan 8.360 nan 0.000 0.466 915 S N -0.965 114.717 115.700 -0.031 0.000 2.539 915 S HA 0.154 4.628 4.470 0.007 0.000 0.221 915 S C 1.693 176.276 174.600 -0.029 0.000 0.987 915 S CA 0.108 58.291 58.200 -0.028 0.000 0.929 915 S CB 0.949 64.131 63.200 -0.031 0.000 0.832 915 S HN 0.407 nan 8.310 nan 0.000 0.492 916 G N 3.210 111.991 108.800 -0.032 0.000 2.597 916 G HA2 -0.365 3.599 3.960 0.007 0.000 0.222 916 G HA3 -0.365 3.599 3.960 0.007 0.000 0.222 916 G C 1.650 176.534 174.900 -0.026 0.000 1.135 916 G CA 1.800 46.880 45.100 -0.032 0.000 0.759 916 G HN 0.704 nan 8.290 nan 0.000 0.595 917 S N 1.285 116.971 115.700 -0.023 0.000 2.387 917 S HA -0.073 4.401 4.470 0.007 0.000 0.226 917 S C 2.103 176.692 174.600 -0.018 0.000 1.026 917 S CA 1.747 59.935 58.200 -0.019 0.000 0.972 917 S CB -0.212 62.978 63.200 -0.017 0.000 0.814 917 S HN 0.639 nan 8.310 nan 0.000 0.477 918 E N 1.751 121.939 120.200 -0.019 0.000 2.216 918 E HA 0.066 4.420 4.350 0.007 0.000 0.192 918 E C 1.782 178.370 176.600 -0.020 0.000 0.988 918 E CA 0.698 57.087 56.400 -0.018 0.000 0.834 918 E CB -0.592 29.098 29.700 -0.018 0.000 0.772 918 E HN 0.512 nan 8.360 nan 0.000 0.479 919 I N 0.887 121.443 120.570 -0.023 0.000 2.676 919 I HA 0.003 4.177 4.170 0.007 0.000 0.259 919 I C 1.175 177.278 176.117 -0.023 0.000 1.194 919 I CA 0.266 61.551 61.300 -0.025 0.000 1.473 919 I CB -0.850 37.131 38.000 -0.031 0.000 1.096 919 I HN 0.239 nan 8.210 nan 0.000 0.443 920 L N 1.285 122.496 121.223 -0.021 0.000 2.540 920 L HA 0.221 4.565 4.340 0.007 0.000 0.276 920 L C 1.220 178.079 176.870 -0.018 0.000 1.212 920 L CA 1.022 55.850 54.840 -0.019 0.000 0.893 920 L CB 0.085 42.134 42.059 -0.017 0.000 1.138 920 L HN 0.498 nan 8.230 nan 0.000 0.491 921 G N 3.446 112.234 108.800 -0.019 0.000 2.554 921 G HA2 -0.275 3.689 3.960 0.007 0.000 0.253 921 G HA3 -0.275 3.689 3.960 0.007 0.000 0.253 921 G C -0.305 174.584 174.900 -0.020 0.000 1.172 921 G CA -0.030 45.059 45.100 -0.019 0.000 0.950 921 G HN 1.030 nan 8.290 nan 0.000 0.557 922 D N -1.206 119.183 120.400 -0.018 0.000 10.050 922 D HA -0.104 4.540 4.640 0.007 0.000 0.307 922 D C 0.817 177.106 176.300 -0.019 0.000 2.837 922 D CA 1.225 55.214 54.000 -0.018 0.000 2.563 922 D CB -0.841 39.947 40.800 -0.019 0.000 1.087 922 D HN 0.926 nan 8.370 nan 0.000 0.825 923 L N 3.305 124.518 121.223 -0.017 0.000 2.766 923 L HA 0.163 4.508 4.340 0.007 0.000 0.242 923 L C 2.163 179.024 176.870 -0.014 0.000 1.136 923 L CA -0.118 54.712 54.840 -0.016 0.000 0.933 923 L CB 0.125 42.175 42.059 -0.015 0.000 1.241 923 L HN 0.243 nan 8.230 nan 0.000 0.522 924 K N 0.119 120.510 120.400 -0.014 0.000 2.323 924 K HA 0.160 4.484 4.320 0.007 0.000 0.197 924 K C 1.436 178.028 176.600 -0.013 0.000 1.043 924 K CA 0.613 56.893 56.287 -0.013 0.000 0.997 924 K CB 0.432 32.925 32.500 -0.012 0.000 0.807 924 K HN 0.243 nan 8.250 nan 0.000 0.497 925 L N 0.515 121.728 121.223 -0.016 0.000 2.640 925 L HA 0.116 4.460 4.340 0.007 0.000 0.230 925 L C 1.137 177.997 176.870 -0.017 0.000 1.123 925 L CA 0.105 54.934 54.840 -0.018 0.000 0.900 925 L CB 0.399 42.445 42.059 -0.022 0.000 1.146 925 L HN 0.033 nan 8.230 nan 0.000 0.484 926 Q N -0.397 119.393 119.800 -0.017 0.000 2.175 926 Q HA 0.172 4.516 4.340 0.007 0.000 0.225 926 Q C 1.088 177.080 176.000 -0.014 0.000 0.837 926 Q CA 0.241 56.033 55.803 -0.019 0.000 1.032 926 Q CB 1.604 30.326 28.738 -0.026 0.000 1.137 926 Q HN 0.231 nan 8.270 nan 0.000 0.483 927 V N -0.573 119.336 119.914 -0.009 0.000 3.612 927 V HA 0.121 4.245 4.120 0.007 0.000 0.268 927 V C 1.447 177.542 176.094 0.003 0.000 1.365 927 V CA 0.412 62.711 62.300 -0.003 0.000 1.044 927 V CB 0.447 32.268 31.823 -0.005 0.000 0.820 927 V HN 0.258 nan 8.190 nan 0.000 0.444 928 L N -0.821 120.402 121.223 0.001 0.000 2.202 928 L HA 0.087 4.431 4.340 0.007 0.000 0.205 928 L C 2.205 179.083 176.870 0.014 0.000 1.083 928 L CA 0.686 55.529 54.840 0.004 0.000 0.790 928 L CB -0.169 41.888 42.059 -0.003 0.000 0.942 928 L HN 0.252 nan 8.230 nan 0.000 0.452 929 L N -0.182 121.048 121.223 0.011 0.000 2.093 929 L HA -0.184 4.160 4.340 0.007 0.000 0.208 929 L C 1.912 178.815 176.870 0.056 0.000 1.085 929 L CA 1.654 56.510 54.840 0.026 0.000 0.755 929 L CB -1.021 41.042 42.059 0.007 0.000 0.904 929 L HN 0.286 nan 8.230 nan 0.000 0.435 930 D N -0.539 119.882 120.400 0.035 0.000 2.269 930 D HA -0.170 4.474 4.640 0.007 0.000 0.208 930 D C 2.072 178.417 176.300 0.075 0.000 0.963 930 D CA 0.598 54.630 54.000 0.054 0.000 0.864 930 D CB 0.250 41.061 40.800 0.018 0.000 0.936 930 D HN 0.261 nan 8.370 nan 0.000 0.505 931 E N 0.895 121.126 120.200 0.050 0.000 2.158 931 E HA -0.123 4.231 4.350 0.007 0.000 0.191 931 E C 1.811 178.441 176.600 0.051 0.000 0.982 931 E CA 0.836 57.261 56.400 0.041 0.000 0.823 931 E CB 0.084 29.797 29.700 0.021 0.000 0.766 931 E HN 0.323 nan 8.360 nan 0.000 0.468 932 E N -1.114 119.126 120.200 0.066 0.000 2.028 932 E HA -0.199 4.155 4.350 0.007 0.000 0.190 932 E C 1.824 178.483 176.600 0.097 0.000 0.984 932 E CA 0.842 57.283 56.400 0.067 0.000 0.800 932 E CB -0.338 29.403 29.700 0.069 0.000 0.758 932 E HN 0.420 nan 8.360 nan 0.000 0.448 933 Y N 1.233 121.542 120.300 0.015 0.000 2.333 933 Y HA -0.150 4.404 4.550 0.007 0.000 0.290 933 Y C 2.168 178.095 175.900 0.044 0.000 1.144 933 Y CA 1.744 59.862 58.100 0.030 0.000 1.228 933 Y CB 0.158 38.637 38.460 0.032 0.000 0.985 933 Y HN -0.066 nan 8.280 nan 0.000 0.542 934 K N -0.344 120.158 120.400 0.171 0.000 2.228 934 K HA -0.185 4.139 4.320 0.007 0.000 0.202 934 K C 2.071 178.676 176.600 0.007 0.000 1.051 934 K CA 1.182 57.527 56.287 0.097 0.000 0.960 934 K CB 0.020 32.575 32.500 0.091 0.000 0.743 934 K HN 0.273 nan 8.250 nan 0.000 0.458 935 Q N 0.506 120.300 119.800 -0.009 0.000 2.245 935 Q HA 0.039 4.383 4.340 0.007 0.000 0.201 935 Q C 1.657 177.611 176.000 -0.076 0.000 0.955 935 Q CA 0.917 56.694 55.803 -0.043 0.000 0.870 935 Q CB 0.110 28.825 28.738 -0.039 0.000 0.945 935 Q HN 0.324 nan 8.270 nan 0.000 0.461 936 L N -0.923 120.239 121.223 -0.101 0.000 2.141 936 L HA -0.100 4.244 4.340 0.007 0.000 0.209 936 L C 2.031 178.820 176.870 -0.135 0.000 1.094 936 L CA 0.569 55.325 54.840 -0.140 0.000 0.763 936 L CB -0.222 41.703 42.059 -0.222 0.000 0.908 936 L HN 0.130 nan 8.230 nan 0.000 0.437 937 V N -0.414 119.403 119.914 -0.161 0.000 2.649 937 V HA -0.164 3.960 4.120 0.007 0.000 0.248 937 V C 2.372 178.407 176.094 -0.098 0.000 1.054 937 V CA 1.286 63.489 62.300 -0.162 0.000 1.073 937 V CB -0.140 31.607 31.823 -0.127 0.000 0.699 937 V HN 0.355 nan 8.190 nan 0.000 0.463 938 K N -0.307 120.056 120.400 -0.060 0.000 2.147 938 K HA -0.189 4.135 4.320 0.007 0.000 0.205 938 K C 1.752 178.348 176.600 -0.007 0.000 1.049 938 K CA 1.578 57.849 56.287 -0.027 0.000 0.936 938 K CB -0.142 32.339 32.500 -0.032 0.000 0.722 938 K HN 0.430 nan 8.250 nan 0.000 0.446 939 D N 0.160 120.532 120.400 -0.047 0.000 2.103 939 D HA -0.106 4.538 4.640 0.007 0.000 0.199 939 D C 1.853 178.170 176.300 0.029 0.000 0.978 939 D CA 0.894 54.882 54.000 -0.020 0.000 0.829 939 D CB -0.031 40.728 40.800 -0.069 0.000 0.981 939 D HN 0.063 nan 8.370 nan 0.000 0.464 940 R N 0.794 121.248 120.500 -0.077 0.000 2.105 940 R HA -0.127 4.217 4.340 0.007 0.000 0.239 940 R C 2.040 178.304 176.300 -0.061 0.000 1.135 940 R CA 1.236 57.263 56.100 -0.121 0.000 0.967 940 R CB 0.029 30.123 30.300 -0.343 0.000 0.861 940 R HN 0.057 nan 8.270 nan 0.000 0.442 941 K N -0.651 119.724 120.400 -0.042 0.000 2.217 941 K HA -0.137 4.187 4.320 0.007 0.000 0.202 941 K C 1.785 178.399 176.600 0.024 0.000 1.051 941 K CA 0.988 57.262 56.287 -0.022 0.000 0.952 941 K CB -0.119 32.367 32.500 -0.023 0.000 0.736 941 K HN 0.125 nan 8.250 nan 0.000 0.453 942 F N 1.116 121.024 119.950 -0.070 0.000 2.234 942 F HA -0.009 4.523 4.527 0.007 0.000 0.296 942 F C 1.490 177.257 175.800 -0.056 0.000 1.089 942 F CA 0.907 58.868 58.000 -0.065 0.000 1.343 942 F CB 0.124 39.087 39.000 -0.062 0.000 1.040 942 F HN -0.082 nan 8.300 nan 0.000 0.498 943 L N 0.026 121.375 121.223 0.210 0.000 2.044 943 L HA -0.131 4.214 4.340 0.007 0.000 0.205 943 L C 2.530 179.440 176.870 0.066 0.000 1.075 943 L CA 1.257 56.202 54.840 0.175 0.000 0.747 943 L CB -0.721 41.479 42.059 0.235 0.000 0.903 943 L HN -0.048 nan 8.230 nan 0.000 0.435 944 R N -0.092 120.441 120.500 0.055 0.000 2.193 944 R HA -0.190 4.154 4.340 0.007 0.000 0.229 944 R C 2.129 178.409 176.300 -0.033 0.000 1.110 944 R CA 1.119 57.261 56.100 0.069 0.000 0.988 944 R CB -0.199 30.145 30.300 0.074 0.000 0.871 944 R HN 0.449 nan 8.270 nan 0.000 0.458 945 E N 0.401 120.516 120.200 -0.142 0.000 2.152 945 E HA -0.112 4.243 4.350 0.007 0.000 0.192 945 E C 1.629 178.033 176.600 -0.326 0.000 0.983 945 E CA 0.746 57.010 56.400 -0.226 0.000 0.818 945 E CB 0.351 29.880 29.700 -0.284 0.000 0.758 945 E HN 0.087 nan 8.360 nan 0.000 0.467 946 V N 0.245 119.899 119.914 -0.434 0.000 2.278 946 V HA -0.109 4.015 4.120 0.007 0.000 0.238 946 V C 0.745 176.479 176.094 -0.600 0.000 1.039 946 V CA 1.118 63.042 62.300 -0.627 0.000 1.017 946 V CB -0.266 31.050 31.823 -0.846 0.000 0.657 946 V HN 0.172 nan 8.190 nan 0.000 0.462 947 F N 0.639 120.458 119.950 -0.218 0.000 2.626 947 F HA 0.274 4.805 4.527 0.007 0.000 0.353 947 F C 1.196 176.954 175.800 -0.070 0.000 1.230 947 F CA -0.272 57.642 58.000 -0.144 0.000 1.298 947 F CB -0.270 38.688 39.000 -0.071 0.000 1.670 947 F HN -0.153 nan 8.300 nan 0.000 0.633 948 V N 0.273 120.188 119.914 0.002 0.000 2.828 948 V HA -0.287 3.837 4.120 0.007 0.000 0.260 948 V C 1.407 177.490 176.094 -0.018 0.000 1.101 948 V CA 1.705 64.002 62.300 -0.004 0.000 1.123 948 V CB -0.690 31.094 31.823 -0.065 0.000 0.704 948 V HN 0.495 nan 8.190 nan 0.000 0.493 949 D N 0.909 121.323 120.400 0.024 0.000 2.144 949 D HA 0.038 4.682 4.640 0.007 0.000 0.199 949 D C 1.909 178.070 176.300 -0.232 0.000 0.984 949 D CA 1.678 55.661 54.000 -0.027 0.000 0.834 949 D CB -0.273 40.598 40.800 0.118 0.000 0.955 949 D HN 0.529 nan 8.370 nan 0.000 0.465 950 G N 0.235 108.864 108.800 -0.284 0.000 2.157 950 G HA2 -0.296 3.668 3.960 0.007 0.000 0.248 950 G HA3 -0.296 3.668 3.960 0.007 0.000 0.248 950 G C 0.104 174.836 174.900 -0.280 0.000 0.979 950 G CA 0.158 44.842 45.100 -0.693 0.000 0.650 950 G HN 0.346 nan 8.290 nan 0.000 0.529 951 E N 0.635 120.792 120.200 -0.072 0.000 2.259 951 E HA 0.754 5.108 4.350 0.007 0.000 0.281 951 E C 1.290 177.853 176.600 -0.062 0.000 1.037 951 E CA 0.710 57.051 56.400 -0.099 0.000 0.854 951 E CB 0.848 30.463 29.700 -0.142 0.000 1.051 951 E HN 0.548 nan 8.360 nan 0.000 0.409 952 A N 4.927 127.657 122.820 -0.149 0.000 1.843 952 A HA -0.037 4.287 4.320 0.007 0.000 0.213 952 A C 0.426 177.866 177.584 -0.240 0.000 1.202 952 A CA 0.463 52.438 52.037 -0.104 0.000 0.607 952 A CB -0.442 18.521 19.000 -0.062 0.000 0.847 952 A HN 0.716 nan 8.150 nan 0.000 0.445 953 N N 0.078 118.524 118.700 -0.424 0.000 2.429 953 N HA 0.175 4.920 4.740 0.007 0.000 0.271 953 N C -1.438 173.563 175.510 -0.848 0.000 1.272 953 N CA 0.629 53.399 53.050 -0.467 0.000 0.921 953 N CB -0.142 38.114 38.487 -0.386 0.000 1.128 953 N HN 0.544 nan 8.380 nan 0.000 0.481 954 W N 1.624 122.806 121.300 -0.196 0.000 2.998 954 W HA 0.304 4.968 4.660 0.007 0.000 0.335 954 W C -2.074 174.417 176.519 -0.048 0.000 1.110 954 W CA -2.030 55.215 57.345 -0.166 0.000 1.230 954 W CB 1.457 30.741 29.460 -0.294 0.000 1.405 954 W HN 0.298 nan 8.180 nan 0.000 0.493 955 P HA -0.006 nan 4.420 nan 0.000 0.255 955 P C -0.749 176.702 177.300 0.252 0.000 1.161 955 P CA 1.022 64.277 63.100 0.257 0.000 0.768 955 P CB 0.443 32.344 31.700 0.334 0.000 0.746 956 L N 5.706 127.063 121.223 0.222 0.000 2.513 956 L HA 0.374 4.718 4.340 0.007 0.000 0.261 956 L C -2.472 174.567 176.870 0.282 0.000 0.945 956 L CA -2.587 52.413 54.840 0.267 0.000 0.848 956 L CB 2.946 45.178 42.059 0.288 0.000 1.334 956 L HN 0.057 nan 8.230 nan 0.000 0.407 957 P HA 0.059 nan 4.420 nan 0.000 0.270 957 P C -0.775 176.734 177.300 0.348 0.000 1.221 957 P CA 0.056 63.260 63.100 0.174 0.000 0.788 957 P CB 0.429 32.047 31.700 -0.137 0.000 0.904 958 V N -0.250 119.805 119.914 0.236 0.000 3.683 958 V HA -0.218 3.906 4.120 0.007 0.000 0.493 958 V C 0.474 176.716 176.094 0.247 0.000 0.682 958 V CA 0.265 62.724 62.300 0.266 0.000 2.008 958 V CB -1.265 30.802 31.823 0.407 0.000 2.427 958 V HN 0.795 nan 8.190 nan 0.000 0.505 959 N N 4.920 123.713 118.700 0.156 0.000 2.508 959 N HA 0.285 5.029 4.740 0.007 0.000 0.253 959 N C 0.952 176.504 175.510 0.070 0.000 1.145 959 N CA 0.024 53.137 53.050 0.105 0.000 0.973 959 N CB 0.475 39.008 38.487 0.077 0.000 1.305 959 N HN 0.670 nan 8.380 nan 0.000 0.506 960 I N 2.031 122.634 120.570 0.056 0.000 2.208 960 I HA -0.308 3.866 4.170 0.007 0.000 0.245 960 I C 2.356 178.463 176.117 -0.017 0.000 1.097 960 I CA 0.869 62.174 61.300 0.008 0.000 1.363 960 I CB -0.136 37.852 38.000 -0.020 0.000 1.051 960 I HN 0.466 nan 8.210 nan 0.000 0.413 961 R N 1.391 121.886 120.500 -0.008 0.000 2.133 961 R HA -0.191 4.153 4.340 0.007 0.000 0.247 961 R C 2.310 178.609 176.300 -0.003 0.000 1.151 961 R CA 1.760 57.847 56.100 -0.022 0.000 0.971 961 R CB -0.310 29.992 30.300 0.003 0.000 0.866 961 R HN 0.248 nan 8.270 nan 0.000 0.447 962 R N -0.382 120.135 120.500 0.028 0.000 2.161 962 R HA 0.142 4.487 4.340 0.007 0.000 0.213 962 R C 2.194 178.533 176.300 0.065 0.000 1.055 962 R CA 0.974 57.108 56.100 0.057 0.000 0.996 962 R CB -0.018 30.318 30.300 0.060 0.000 0.901 962 R HN 0.316 nan 8.270 nan 0.000 0.456 963 I N 0.773 121.362 120.570 0.032 0.000 2.315 963 I HA -0.267 3.907 4.170 0.007 0.000 0.248 963 I C 1.903 178.071 176.117 0.085 0.000 1.117 963 I CA 0.931 62.243 61.300 0.021 0.000 1.404 963 I CB -0.130 37.816 38.000 -0.090 0.000 1.071 963 I HN 0.123 nan 8.210 nan 0.000 0.419 964 I N 0.633 121.203 120.570 -0.001 0.000 2.202 964 I HA -0.264 3.910 4.170 0.007 0.000 0.242 964 I C 2.541 178.681 176.117 0.038 0.000 1.091 964 I CA 1.575 62.833 61.300 -0.071 0.000 1.368 964 I CB -1.242 36.517 38.000 -0.403 0.000 1.058 964 I HN 0.350 nan 8.210 nan 0.000 0.410 965 Q N 0.185 120.030 119.800 0.076 0.000 2.170 965 Q HA -0.184 4.160 4.340 0.007 0.000 0.203 965 Q C 1.840 178.021 176.000 0.301 0.000 0.976 965 Q CA 1.075 56.992 55.803 0.189 0.000 0.858 965 Q CB -0.111 28.777 28.738 0.251 0.000 0.907 965 Q HN 0.507 nan 8.270 nan 0.000 0.433 966 N N 0.404 119.252 118.700 0.247 0.000 2.270 966 N HA -0.075 4.670 4.740 0.007 0.000 0.181 966 N C 1.468 177.146 175.510 0.279 0.000 1.016 966 N CA 1.127 54.321 53.050 0.240 0.000 0.870 966 N CB -0.150 38.544 38.487 0.346 0.000 0.979 966 N HN 0.219 nan 8.380 nan 0.000 0.431 967 A N 1.358 124.431 122.820 0.423 0.000 1.854 967 A HA -0.138 4.187 4.320 0.007 0.000 0.214 967 A C 1.717 179.486 177.584 0.308 0.000 1.192 967 A CA 1.147 53.474 52.037 0.482 0.000 0.611 967 A CB -0.551 18.765 19.000 0.527 0.000 0.832 967 A HN 0.514 nan 8.150 nan 0.000 0.442 968 Q N -1.000 118.932 119.800 0.221 0.000 2.239 968 Q HA 0.195 4.539 4.340 0.007 0.000 0.219 968 Q C 1.015 177.059 176.000 0.074 0.000 0.901 968 Q CA 0.683 56.584 55.803 0.162 0.000 0.949 968 Q CB 0.087 28.940 28.738 0.192 0.000 1.038 968 Q HN 0.782 nan 8.270 nan 0.000 0.458 969 Q N -0.664 119.146 119.800 0.015 0.000 2.167 969 Q HA 0.075 4.420 4.340 0.007 0.000 0.251 969 Q C 0.965 176.770 176.000 -0.325 0.000 0.768 969 Q CA 0.420 56.120 55.803 -0.172 0.000 0.944 969 Q CB 0.797 29.575 28.738 0.066 0.000 1.179 969 Q HN 0.356 nan 8.270 nan 0.000 0.478 970 T N 0.148 114.553 114.554 -0.250 0.000 2.812 970 T HA 0.007 4.361 4.350 0.007 0.000 0.264 970 T C 0.694 175.070 174.700 -0.540 0.000 1.042 970 T CA 1.057 62.874 62.100 -0.472 0.000 1.140 970 T CB -0.109 68.290 68.868 -0.781 0.000 0.870 970 T HN 0.197 nan 8.240 nan 0.000 0.445 971 F N 0.188 120.022 119.950 -0.192 0.000 2.727 971 F HA 0.278 4.809 4.527 0.007 0.000 0.302 971 F C 0.652 176.457 175.800 0.008 0.000 1.097 971 F CA -0.493 57.447 58.000 -0.099 0.000 1.330 971 F CB -0.384 38.561 39.000 -0.093 0.000 1.084 971 F HN 0.146 nan 8.300 nan 0.000 0.578 972 H N 1.186 120.310 119.070 0.090 0.000 2.400 972 H HA -0.197 4.363 4.556 0.007 0.000 0.310 972 H C -0.097 175.261 175.328 0.051 0.000 0.923 972 H CA 0.140 56.224 56.048 0.061 0.000 1.024 972 H CB -0.842 28.937 29.762 0.029 0.000 1.611 972 H HN 0.199 nan 8.280 nan 0.000 0.332 973 I N 4.173 124.812 120.570 0.115 0.000 2.315 973 I HA 0.103 4.277 4.170 0.007 0.000 0.291 973 I C 0.407 176.446 176.117 -0.130 0.000 1.006 973 I CA -0.691 60.601 61.300 -0.013 0.000 1.265 973 I CB 0.612 38.570 38.000 -0.071 0.000 1.387 973 I HN 0.291 nan 8.210 nan 0.000 0.475 974 D N 6.441 126.797 120.400 -0.073 0.000 2.350 974 D HA 0.016 4.660 4.640 0.007 0.000 0.249 974 D C -0.142 176.069 176.300 -0.148 0.000 1.119 974 D CA -0.074 53.897 54.000 -0.049 0.000 0.886 974 D CB 0.630 41.440 40.800 0.016 0.000 1.195 974 D HN 0.587 nan 8.370 nan 0.000 0.437 975 H N 1.114 120.214 119.070 0.049 0.000 2.727 975 H HA 0.105 4.666 4.556 0.007 0.000 0.312 975 H C 0.647 175.988 175.328 0.022 0.000 1.204 975 H CA 0.123 56.193 56.048 0.038 0.000 1.122 975 H CB -0.024 29.763 29.762 0.041 0.000 1.453 975 H HN 0.623 nan 8.280 nan 0.000 0.514 976 T N -3.286 111.314 114.554 0.076 0.000 2.992 976 T HA 0.118 4.472 4.350 0.007 0.000 0.255 976 T C 0.651 175.363 174.700 0.021 0.000 0.938 976 T CA -0.380 61.749 62.100 0.049 0.000 0.895 976 T CB 0.966 69.861 68.868 0.046 0.000 1.221 976 T HN -0.068 nan 8.240 nan 0.000 0.512 977 K N 3.337 123.741 120.400 0.007 0.000 2.206 977 K HA 0.532 4.856 4.320 0.007 0.000 0.264 977 K C -2.766 173.826 176.600 -0.014 0.000 0.967 977 K CA -2.394 53.891 56.287 -0.004 0.000 0.844 977 K CB 1.579 34.075 32.500 -0.005 0.000 1.099 977 K HN 0.223 nan 8.250 nan 0.000 0.441 978 P HA 0.010 nan 4.420 nan 0.000 0.272 978 P C 0.179 177.460 177.300 -0.031 0.000 1.223 978 P CA -0.206 62.880 63.100 -0.024 0.000 0.784 978 P CB 0.790 32.475 31.700 -0.024 0.000 0.923 979 S N 0.767 116.443 115.700 -0.040 0.000 2.587 979 S HA 0.014 4.488 4.470 0.007 0.000 0.260 979 S C 0.874 175.446 174.600 -0.046 0.000 1.353 979 S CA -0.013 58.158 58.200 -0.048 0.000 0.995 979 S CB -0.088 63.074 63.200 -0.063 0.000 0.912 979 S HN 0.606 nan 8.310 nan 0.000 0.568 980 D N 1.468 121.840 120.400 -0.047 0.000 2.440 980 D HA 0.143 4.788 4.640 0.007 0.000 0.216 980 D C 0.317 176.585 176.300 -0.053 0.000 1.150 980 D CA -0.197 53.777 54.000 -0.042 0.000 0.832 980 D CB -0.371 40.411 40.800 -0.030 0.000 0.992 980 D HN 0.351 nan 8.370 nan 0.000 0.502 981 L N 1.231 122.407 121.223 -0.078 0.000 2.452 981 L HA 0.178 4.523 4.340 0.007 0.000 0.267 981 L C 0.735 177.546 176.870 -0.099 0.000 1.188 981 L CA 0.223 54.996 54.840 -0.111 0.000 0.821 981 L CB 0.951 42.898 42.059 -0.187 0.000 1.102 981 L HN -0.108 nan 8.230 nan 0.000 0.470 982 T N 1.428 115.923 114.554 -0.098 0.000 2.912 982 T HA 0.249 4.603 4.350 0.007 0.000 0.280 982 T C 1.357 175.995 174.700 -0.103 0.000 0.989 982 T CA -0.805 61.246 62.100 -0.081 0.000 0.995 982 T CB 1.546 70.379 68.868 -0.058 0.000 1.077 982 T HN 0.291 nan 8.240 nan 0.000 0.531 983 I N 0.647 121.168 120.570 -0.081 0.000 2.493 983 I HA -0.054 4.120 4.170 0.007 0.000 0.254 983 I C 2.199 178.271 176.117 -0.074 0.000 1.160 983 I CA 1.394 62.645 61.300 -0.081 0.000 1.445 983 I CB -0.907 37.059 38.000 -0.057 0.000 1.086 983 I HN 0.664 nan 8.210 nan 0.000 0.433 984 K N 0.493 120.858 120.400 -0.058 0.000 2.025 984 K HA -0.166 4.158 4.320 0.007 0.000 0.207 984 K C 1.661 178.231 176.600 -0.050 0.000 1.049 984 K CA 1.393 57.655 56.287 -0.042 0.000 0.933 984 K CB -0.078 32.406 32.500 -0.026 0.000 0.714 984 K HN 0.210 nan 8.250 nan 0.000 0.438 985 D N 1.077 121.433 120.400 -0.073 0.000 2.133 985 D HA -0.211 4.434 4.640 0.007 0.000 0.192 985 D C 1.839 178.049 176.300 -0.150 0.000 1.001 985 D CA 1.289 55.239 54.000 -0.083 0.000 0.844 985 D CB -0.295 40.433 40.800 -0.119 0.000 0.944 985 D HN 0.187 nan 8.370 nan 0.000 0.447 986 I N 0.100 120.501 120.570 -0.282 0.000 2.094 986 I HA -0.220 3.955 4.170 0.007 0.000 0.234 986 I C 2.492 178.562 176.117 -0.078 0.000 1.063 986 I CA 0.647 61.727 61.300 -0.366 0.000 1.328 986 I CB -0.324 37.450 38.000 -0.376 0.000 1.058 986 I HN -0.109 nan 8.210 nan 0.000 0.400 987 V N 0.979 120.859 119.914 -0.056 0.000 2.287 987 V HA -0.270 3.854 4.120 0.007 0.000 0.248 987 V C 2.150 178.255 176.094 0.019 0.000 1.053 987 V CA 1.749 64.045 62.300 -0.006 0.000 1.027 987 V CB -0.462 31.353 31.823 -0.013 0.000 0.646 987 V HN 0.374 nan 8.190 nan 0.000 0.447 988 L N -0.016 121.216 121.223 0.014 0.000 2.599 988 L HA 0.139 4.483 4.340 0.007 0.000 0.230 988 L C 2.190 179.094 176.870 0.056 0.000 1.141 988 L CA 0.631 55.487 54.840 0.026 0.000 0.877 988 L CB -0.508 41.560 42.059 0.014 0.000 1.009 988 L HN 0.424 nan 8.230 nan 0.000 0.447 989 G N -0.459 108.402 108.800 0.101 0.000 2.439 989 G HA2 -0.128 3.836 3.960 0.007 0.000 0.212 989 G HA3 -0.128 3.836 3.960 0.007 0.000 0.212 989 G C 1.457 176.449 174.900 0.154 0.000 1.199 989 G CA 0.552 45.767 45.100 0.192 0.000 0.807 989 G HN 0.100 nan 8.290 nan 0.000 0.537 990 V N 1.057 121.080 119.914 0.182 0.000 2.392 990 V HA -0.156 3.968 4.120 0.007 0.000 0.249 990 V C 2.602 178.721 176.094 0.042 0.000 1.059 990 V CA 2.165 64.532 62.300 0.112 0.000 1.051 990 V CB -0.417 31.481 31.823 0.125 0.000 0.658 990 V HN 0.367 nan 8.190 nan 0.000 0.455 991 K N -0.511 119.911 120.400 0.036 0.000 2.288 991 K HA -0.141 4.183 4.320 0.007 0.000 0.201 991 K C 1.423 178.023 176.600 0.001 0.000 1.048 991 K CA 1.181 57.474 56.287 0.009 0.000 0.956 991 K CB 0.010 32.515 32.500 0.008 0.000 0.746 991 K HN 0.425 nan 8.250 nan 0.000 0.461 992 D N 0.227 120.634 120.400 0.011 0.000 2.366 992 D HA -0.067 4.578 4.640 0.007 0.000 0.205 992 D C 1.560 177.852 176.300 -0.014 0.000 1.022 992 D CA 0.224 54.224 54.000 0.001 0.000 0.868 992 D CB 0.276 41.083 40.800 0.013 0.000 0.953 992 D HN 0.134 nan 8.370 nan 0.000 0.514 993 L N 0.951 122.164 121.223 -0.017 0.000 2.044 993 L HA -0.052 4.292 4.340 0.007 0.000 0.205 993 L C 2.088 178.915 176.870 -0.072 0.000 1.075 993 L CA 1.770 56.582 54.840 -0.048 0.000 0.747 993 L CB -0.806 41.219 42.059 -0.056 0.000 0.903 993 L HN -0.092 nan 8.230 nan 0.000 0.435 994 Q N -0.457 119.307 119.800 -0.060 0.000 2.173 994 Q HA -0.270 4.074 4.340 0.007 0.000 0.208 994 Q C 1.938 177.889 176.000 -0.081 0.000 0.989 994 Q CA 2.129 57.887 55.803 -0.075 0.000 0.872 994 Q CB -0.108 28.600 28.738 -0.050 0.000 0.909 994 Q HN 0.635 nan 8.270 nan 0.000 0.420 995 E N -0.069 120.096 120.200 -0.058 0.000 2.268 995 E HA -0.106 4.249 4.350 0.007 0.000 0.195 995 E C 1.047 177.613 176.600 -0.056 0.000 0.995 995 E CA 0.641 57.012 56.400 -0.048 0.000 0.836 995 E CB 0.045 29.727 29.700 -0.031 0.000 0.763 995 E HN 0.396 nan 8.360 nan 0.000 0.491 996 N N -0.003 118.655 118.700 -0.071 0.000 2.280 996 N HA 0.073 4.817 4.740 0.007 0.000 0.192 996 N C 0.262 175.711 175.510 -0.100 0.000 1.109 996 N CA 0.087 53.097 53.050 -0.066 0.000 0.855 996 N CB 0.382 38.837 38.487 -0.052 0.000 0.974 996 N HN 0.082 nan 8.380 nan 0.000 0.482 997 L N 1.629 122.735 121.223 -0.195 0.000 2.437 997 L HA 0.175 4.520 4.340 0.007 0.000 0.243 997 L C -0.295 176.495 176.870 -0.133 0.000 1.346 997 L CA -0.267 54.335 54.840 -0.398 0.000 1.233 997 L CB -0.306 41.239 42.059 -0.856 0.000 1.436 997 L HN -0.096 nan 8.230 nan 0.000 0.416 998 L N 1.028 122.266 121.223 0.024 0.000 2.453 998 L HA 0.090 4.434 4.340 0.007 0.000 0.272 998 L C 0.945 177.912 176.870 0.161 0.000 1.182 998 L CA 0.530 55.412 54.840 0.071 0.000 0.858 998 L CB 1.536 43.616 42.059 0.035 0.000 1.120 998 L HN 0.213 nan 8.230 nan 0.000 0.474 999 V N 3.610 123.594 119.914 0.116 0.000 3.279 999 V HA 0.219 4.343 4.120 0.007 0.000 0.213 999 V C 0.395 176.519 176.094 0.050 0.000 1.335 999 V CA 0.011 62.362 62.300 0.085 0.000 1.317 999 V CB 0.812 32.700 31.823 0.108 0.000 1.209 999 V HN 0.460 nan 8.190 nan 0.000 0.525 1000 L N 0.592 121.845 121.223 0.050 0.000 2.309 1000 L HA 0.497 4.841 4.340 0.007 0.000 0.282 1000 L C 0.973 177.859 176.870 0.025 0.000 1.036 1000 L CA 0.089 54.953 54.840 0.040 0.000 0.806 1000 L CB 1.881 43.967 42.059 0.045 0.000 1.220 1000 L HN 0.091 nan 8.230 nan 0.000 0.429 1001 R N 1.374 121.885 120.500 0.017 0.000 2.316 1001 R HA 0.188 4.533 4.340 0.007 0.000 0.201 1001 R C 0.796 177.096 176.300 0.001 0.000 0.888 1001 R CA 0.066 56.169 56.100 0.006 0.000 1.041 1001 R CB 0.549 30.848 30.300 -0.002 0.000 1.115 1001 R HN 0.806 nan 8.270 nan 0.000 0.559 1002 G N 1.114 109.916 108.800 0.004 0.000 2.224 1002 G HA2 -0.141 3.823 3.960 0.007 0.000 0.239 1002 G HA3 -0.141 3.823 3.960 0.007 0.000 0.239 1002 G C 0.008 174.907 174.900 -0.002 0.000 1.240 1002 G CA -0.024 45.076 45.100 0.000 0.000 0.896 1002 G HN 0.246 nan 8.290 nan 0.000 0.496 1003 K N 0.926 121.323 120.400 -0.005 0.000 2.487 1003 K HA -0.019 4.305 4.320 0.007 0.000 0.192 1003 K C 0.929 177.525 176.600 -0.007 0.000 1.027 1003 K CA 0.059 56.342 56.287 -0.007 0.000 1.054 1003 K CB -0.016 32.479 32.500 -0.008 0.000 0.824 1003 K HN 0.781 nan 8.250 nan 0.000 0.510 1004 N N -0.542 118.155 118.700 -0.005 0.000 2.463 1004 N HA 0.003 4.748 4.740 0.007 0.000 0.270 1004 N C 0.386 175.891 175.510 -0.008 0.000 1.205 1004 N CA -0.329 52.718 53.050 -0.006 0.000 0.974 1004 N CB 0.736 39.221 38.487 -0.004 0.000 1.197 1004 N HN -0.135 nan 8.380 nan 0.000 0.504 1005 E N -0.350 119.844 120.200 -0.010 0.000 2.085 1005 E HA -0.166 4.188 4.350 0.007 0.000 0.194 1005 E C 1.249 177.839 176.600 -0.017 0.000 0.994 1005 E CA 1.181 57.573 56.400 -0.013 0.000 0.801 1005 E CB -0.173 29.519 29.700 -0.014 0.000 0.743 1005 E HN 0.559 nan 8.360 nan 0.000 0.453 1006 I N 0.883 121.442 120.570 -0.018 0.000 2.277 1006 I HA -0.186 3.989 4.170 0.007 0.000 0.243 1006 I C 2.398 178.502 176.117 -0.022 0.000 1.094 1006 I CA 0.854 62.139 61.300 -0.026 0.000 1.393 1006 I CB -1.028 36.953 38.000 -0.031 0.000 1.078 1006 I HN 0.123 nan 8.210 nan 0.000 0.417 1007 I N 0.785 121.349 120.570 -0.010 0.000 2.127 1007 I HA -0.261 3.914 4.170 0.007 0.000 0.241 1007 I C 2.524 178.640 176.117 -0.001 0.000 1.075 1007 I CA 1.428 62.728 61.300 0.001 0.000 1.334 1007 I CB -0.974 37.032 38.000 0.009 0.000 1.040 1007 I HN 0.336 nan 8.210 nan 0.000 0.405 1008 Q N 0.192 119.989 119.800 -0.005 0.000 2.364 1008 Q HA -0.151 4.193 4.340 0.007 0.000 0.207 1008 Q C 1.857 177.850 176.000 -0.012 0.000 0.970 1008 Q CA 0.818 56.617 55.803 -0.007 0.000 0.888 1008 Q CB -0.527 28.206 28.738 -0.009 0.000 0.951 1008 Q HN 0.481 nan 8.270 nan 0.000 0.469 1009 N N 0.263 118.954 118.700 -0.017 0.000 2.300 1009 N HA -0.035 4.709 4.740 0.007 0.000 0.179 1009 N C 1.315 176.812 175.510 -0.021 0.000 1.016 1009 N CA 1.034 54.071 53.050 -0.022 0.000 0.876 1009 N CB 0.214 38.684 38.487 -0.028 0.000 0.979 1009 N HN 0.198 nan 8.380 nan 0.000 0.432 1010 A N 0.219 123.028 122.820 -0.017 0.000 2.021 1010 A HA -0.061 4.263 4.320 0.007 0.000 0.216 1010 A C 2.056 179.645 177.584 0.009 0.000 1.163 1010 A CA 1.001 53.033 52.037 -0.009 0.000 0.676 1010 A CB -0.410 18.585 19.000 -0.009 0.000 0.818 1010 A HN 0.319 nan 8.150 nan 0.000 0.453 1011 Q N 0.835 120.641 119.800 0.010 0.000 2.077 1011 Q HA -0.195 4.149 4.340 0.007 0.000 0.206 1011 Q C 2.017 178.024 176.000 0.011 0.000 0.989 1011 Q CA 2.334 58.148 55.803 0.018 0.000 0.853 1011 Q CB -0.458 28.287 28.738 0.011 0.000 0.907 1011 Q HN 0.627 nan 8.270 nan 0.000 0.418 1012 R N -0.132 120.365 120.500 -0.006 0.000 2.081 1012 R HA -0.073 4.271 4.340 0.007 0.000 0.235 1012 R C 0.488 176.779 176.300 -0.015 0.000 1.131 1012 R CA 1.260 57.349 56.100 -0.019 0.000 0.960 1012 R CB -0.117 30.163 30.300 -0.033 0.000 0.856 1012 R HN 0.327 nan 8.270 nan 0.000 0.436 1013 D N -0.681 119.715 120.400 -0.007 0.000 2.856 1013 D HA 0.131 4.775 4.640 0.007 0.000 0.242 1013 D C 0.259 176.572 176.300 0.022 0.000 1.226 1013 D CA 0.183 54.184 54.000 0.002 0.000 0.855 1013 D CB 0.922 41.720 40.800 -0.003 0.000 1.065 1013 D HN 0.279 nan 8.370 nan 0.000 0.462 1014 A N -1.112 121.730 122.820 0.036 0.000 2.189 1014 A HA 0.062 4.386 4.320 0.007 0.000 0.177 1014 A C 1.526 179.168 177.584 0.097 0.000 1.745 1014 A CA -0.063 52.009 52.037 0.060 0.000 1.284 1014 A CB 0.537 19.575 19.000 0.063 0.000 1.508 1014 A HN 0.153 nan 8.150 nan 0.000 0.440 1015 V N 0.382 120.351 119.914 0.092 0.000 3.471 1015 V HA -0.032 4.093 4.120 0.007 0.000 0.258 1015 V C 2.286 178.455 176.094 0.126 0.000 1.192 1015 V CA 1.789 64.173 62.300 0.139 0.000 1.116 1015 V CB -0.734 31.128 31.823 0.066 0.000 0.792 1015 V HN 0.461 nan 8.190 nan 0.000 0.459 1016 T N 1.303 115.882 114.554 0.041 0.000 2.653 1016 T HA -0.331 4.023 4.350 0.007 0.000 0.267 1016 T C 1.835 176.533 174.700 -0.004 0.000 1.037 1016 T CA 2.305 64.380 62.100 -0.041 0.000 1.159 1016 T CB -0.333 68.483 68.868 -0.086 0.000 0.859 1016 T HN 0.362 nan 8.240 nan 0.000 0.449 1017 L N -0.625 120.654 121.223 0.093 0.000 2.109 1017 L HA 0.109 4.453 4.340 0.007 0.000 0.207 1017 L C 2.194 179.159 176.870 0.159 0.000 1.086 1017 L CA 1.063 55.984 54.840 0.136 0.000 0.760 1017 L CB -0.218 41.936 42.059 0.159 0.000 0.910 1017 L HN 0.249 nan 8.230 nan 0.000 0.437 1018 F N -0.451 119.541 119.950 0.069 0.000 2.456 1018 F HA -0.120 4.411 4.527 0.007 0.000 0.298 1018 F C 1.945 177.760 175.800 0.025 0.000 1.104 1018 F CA 0.654 58.707 58.000 0.087 0.000 1.435 1018 F CB -0.154 38.955 39.000 0.181 0.000 1.078 1018 F HN 0.003 nan 8.300 nan 0.000 0.546 1019 C N 1.046 120.376 119.300 0.050 0.000 2.379 1019 C HA 0.191 4.655 4.460 0.007 0.000 0.346 1019 C C 0.047 174.973 174.990 -0.106 0.000 1.305 1019 C CA -0.436 58.540 59.018 -0.070 0.000 1.657 1019 C CB -2.615 25.104 27.740 -0.035 0.000 1.739 1019 C HN 0.522 nan 8.230 nan 0.000 0.594 1020 C N 0.719 119.954 119.300 -0.108 0.000 3.452 1020 C HA 0.587 5.051 4.460 0.007 0.000 0.251 1020 C C -0.731 174.226 174.990 -0.055 0.000 1.160 1020 C CA -0.823 58.155 59.018 -0.066 0.000 1.328 1020 C CB -1.446 26.283 27.740 -0.019 0.000 1.819 1020 C HN 0.516 nan 8.230 nan 0.000 0.543 1021 L N 1.963 123.135 121.223 -0.084 0.000 1.625 1021 L HA -0.053 4.291 4.340 0.007 0.000 0.537 1021 L C -0.301 176.404 176.870 -0.276 0.000 1.000 1021 L CA 0.381 55.101 54.840 -0.201 0.000 1.174 1021 L CB -0.162 41.716 42.059 -0.302 0.000 1.959 1021 L HN 0.938 nan 8.230 nan 0.000 1.058 1022 L N 4.984 126.075 121.223 -0.221 0.000 3.181 1022 L HA -0.187 4.158 4.340 0.007 0.000 0.569 1022 L C 0.643 177.467 176.870 -0.076 0.000 1.002 1022 L CA 1.426 56.183 54.840 -0.139 0.000 1.276 1022 L CB 0.093 42.030 42.059 -0.204 0.000 1.285 1022 L HN 1.232 nan 8.230 nan 0.000 0.642 1023 R N 3.126 123.621 120.500 -0.009 0.000 1.558 1023 R HA 0.050 4.395 4.340 0.007 0.000 0.353 1023 R C 0.182 176.465 176.300 -0.028 0.000 1.317 1023 R CA 0.960 57.060 56.100 -0.000 0.000 1.350 1023 R CB -1.378 28.910 30.300 -0.020 0.000 3.705 1023 R HN 1.630 nan 8.270 nan 0.000 0.450 1024 S N 1.025 116.722 115.700 -0.005 0.000 4.166 1024 S HA -0.121 4.353 4.470 0.007 0.000 0.634 1024 S C -1.193 173.542 174.600 0.225 0.000 1.425 1024 S CA -0.076 58.158 58.200 0.057 0.000 2.185 1024 S CB -0.444 62.758 63.200 0.004 0.000 0.319 1024 S HN 1.044 nan 8.310 nan 0.000 1.119 1025 R N 1.535 122.158 120.500 0.205 0.000 2.839 1025 R HA -0.097 4.248 4.340 0.007 0.000 0.261 1025 R C 0.649 177.013 176.300 0.108 0.000 0.824 1025 R CA 0.774 56.972 56.100 0.164 0.000 1.091 1025 R CB -0.850 29.512 30.300 0.103 0.000 0.908 1025 R HN 0.485 nan 8.270 nan 0.000 0.408 1026 L N 1.565 122.872 121.223 0.140 0.000 2.488 1026 L HA 0.359 4.703 4.340 0.007 0.000 0.186 1026 L C 0.659 177.617 176.870 0.146 0.000 1.124 1026 L CA 1.086 56.047 54.840 0.202 0.000 0.838 1026 L CB -1.733 40.480 42.059 0.257 0.000 1.107 1026 L HN 0.847 nan 8.230 nan 0.000 0.494 1027 A N -0.300 122.589 122.820 0.114 0.000 2.427 1027 A HA -0.011 4.313 4.320 0.007 0.000 0.680 1027 A C 1.088 178.668 177.584 -0.007 0.000 0.175 1027 A CA 0.420 52.517 52.037 0.100 0.000 0.091 1027 A CB -2.122 17.018 19.000 0.233 0.000 3.937 1027 A HN 0.330 nan 8.150 nan 0.000 0.543 1028 T N 2.355 116.900 114.554 -0.015 0.000 2.634 1028 T HA -0.370 3.984 4.350 0.007 0.000 0.256 1028 T C 2.040 176.672 174.700 -0.114 0.000 1.131 1028 T CA 2.150 64.207 62.100 -0.073 0.000 1.149 1028 T CB -0.272 68.566 68.868 -0.049 0.000 0.849 1028 T HN 0.768 nan 8.240 nan 0.000 0.457 1029 R N 0.442 120.880 120.500 -0.104 0.000 2.103 1029 R HA -0.049 4.295 4.340 0.007 0.000 0.242 1029 R C 2.674 178.834 176.300 -0.234 0.000 1.142 1029 R CA 1.191 57.196 56.100 -0.160 0.000 0.960 1029 R CB -0.412 29.788 30.300 -0.168 0.000 0.858 1029 R HN 0.369 nan 8.270 nan 0.000 0.439 1030 R N 0.303 120.644 120.500 -0.264 0.000 2.075 1030 R HA -0.095 4.249 4.340 0.007 0.000 0.230 1030 R C 2.276 178.209 176.300 -0.612 0.000 1.140 1030 R CA 1.607 57.488 56.100 -0.365 0.000 0.928 1030 R CB -0.615 29.551 30.300 -0.223 0.000 0.834 1030 R HN 0.057 nan 8.270 nan 0.000 0.429 1031 V N 1.584 121.210 119.914 -0.481 0.000 2.324 1031 V HA -0.254 3.870 4.120 0.007 0.000 0.250 1031 V C 2.354 178.231 176.094 -0.362 0.000 1.060 1031 V CA 1.714 63.725 62.300 -0.481 0.000 1.042 1031 V CB -0.411 31.326 31.823 -0.143 0.000 0.650 1031 V HN 0.310 nan 8.190 nan 0.000 0.450 1032 L N -1.363 119.706 121.223 -0.257 0.000 2.416 1032 L HA 0.047 4.391 4.340 0.007 0.000 0.216 1032 L C 2.344 179.130 176.870 -0.139 0.000 1.098 1032 L CA 0.948 55.687 54.840 -0.169 0.000 0.840 1032 L CB -0.123 41.853 42.059 -0.138 0.000 0.981 1032 L HN 0.335 nan 8.230 nan 0.000 0.462 1033 Q N -0.709 118.986 119.800 -0.173 0.000 2.422 1033 Q HA 0.000 4.345 4.340 0.007 0.000 0.255 1033 Q C 1.708 177.650 176.000 -0.097 0.000 0.864 1033 Q CA 0.131 55.864 55.803 -0.118 0.000 0.968 1033 Q CB 0.818 29.482 28.738 -0.123 0.000 1.130 1033 Q HN 0.379 nan 8.270 nan 0.000 0.556 1034 E N -0.380 119.721 120.200 -0.165 0.000 2.057 1034 E HA -0.047 4.307 4.350 0.007 0.000 0.190 1034 E C -0.439 176.206 176.600 0.075 0.000 0.969 1034 E CA 0.626 56.982 56.400 -0.073 0.000 0.812 1034 E CB 0.407 30.053 29.700 -0.089 0.000 0.777 1034 E HN 0.288 nan 8.360 nan 0.000 0.455 1035 Y N -0.390 119.951 120.300 0.067 0.000 2.749 1035 Y HA 0.482 5.037 4.550 0.007 0.000 0.343 1035 Y C -0.831 175.144 175.900 0.125 0.000 1.015 1035 Y CA -1.185 56.996 58.100 0.135 0.000 1.270 1035 Y CB 0.006 38.542 38.460 0.127 0.000 1.097 1035 Y HN -0.328 nan 8.280 nan 0.000 0.571 1036 R N 3.298 123.908 120.500 0.183 0.000 2.504 1036 R HA 0.242 4.586 4.340 0.007 0.000 0.291 1036 R C -0.833 175.516 176.300 0.082 0.000 0.974 1036 R CA 0.384 56.520 56.100 0.059 0.000 1.077 1036 R CB 0.416 30.733 30.300 0.028 0.000 0.926 1036 R HN 0.716 nan 8.270 nan 0.000 0.407 1037 L N 2.076 123.336 121.223 0.062 0.000 2.381 1037 L HA 0.355 4.700 4.340 0.007 0.000 0.268 1037 L C 0.600 177.481 176.870 0.018 0.000 0.997 1037 L CA -0.839 54.060 54.840 0.098 0.000 0.818 1037 L CB 2.374 44.575 42.059 0.236 0.000 1.310 1037 L HN 0.732 nan 8.230 nan 0.000 0.416 1038 T N -1.851 112.690 114.554 -0.021 0.000 2.816 1038 T HA 0.140 4.494 4.350 0.007 0.000 0.282 1038 T C 0.820 175.505 174.700 -0.025 0.000 0.993 1038 T CA -0.622 61.445 62.100 -0.055 0.000 0.994 1038 T CB 1.512 70.318 68.868 -0.103 0.000 1.025 1038 T HN 0.575 nan 8.240 nan 0.000 0.529 1039 K N 0.021 120.405 120.400 -0.027 0.000 2.148 1039 K HA -0.108 4.217 4.320 0.007 0.000 0.204 1039 K C 2.294 178.915 176.600 0.035 0.000 1.050 1039 K CA 1.542 57.843 56.287 0.024 0.000 0.942 1039 K CB -0.407 32.095 32.500 0.002 0.000 0.724 1039 K HN 0.743 nan 8.250 nan 0.000 0.446 1040 Q N -0.598 119.159 119.800 -0.072 0.000 2.049 1040 Q HA -0.054 4.290 4.340 0.007 0.000 0.198 1040 Q C 1.925 177.746 176.000 -0.299 0.000 0.971 1040 Q CA 1.356 57.084 55.803 -0.125 0.000 0.833 1040 Q CB -0.215 28.441 28.738 -0.137 0.000 0.896 1040 Q HN 0.421 nan 8.270 nan 0.000 0.434 1041 A N 0.450 122.894 122.820 -0.626 0.000 1.858 1041 A HA -0.199 4.125 4.320 0.007 0.000 0.216 1041 A C 1.861 179.470 177.584 0.041 0.000 1.190 1041 A CA 1.321 52.937 52.037 -0.703 0.000 0.617 1041 A CB -1.102 17.502 19.000 -0.660 0.000 0.827 1041 A HN 0.598 nan 8.150 nan 0.000 0.443 1042 F N 1.098 121.031 119.950 -0.028 0.000 2.161 1042 F HA -0.216 4.315 4.527 0.007 0.000 0.300 1042 F C 1.698 177.540 175.800 0.071 0.000 1.089 1042 F CA 2.146 60.179 58.000 0.055 0.000 1.282 1042 F CB -0.092 38.924 39.000 0.026 0.000 1.010 1042 F HN 0.231 nan 8.300 nan 0.000 0.485 1043 D N -0.820 119.665 120.400 0.143 0.000 2.178 1043 D HA -0.197 4.447 4.640 0.007 0.000 0.202 1043 D C 1.713 178.045 176.300 0.053 0.000 0.974 1043 D CA 1.145 55.190 54.000 0.074 0.000 0.841 1043 D CB -0.594 40.287 40.800 0.135 0.000 0.953 1043 D HN 0.557 nan 8.370 nan 0.000 0.478 1044 W N 1.342 122.617 121.300 -0.042 0.000 2.378 1044 W HA -0.175 4.489 4.660 0.007 0.000 0.313 1044 W C 2.064 178.568 176.519 -0.025 0.000 1.197 1044 W CA 1.036 58.399 57.345 0.030 0.000 1.304 1044 W CB -0.591 28.986 29.460 0.194 0.000 1.148 1044 W HN -0.266 nan 8.180 nan 0.000 0.494 1045 V N 1.835 121.661 119.914 -0.146 0.000 2.231 1045 V HA -0.391 3.733 4.120 0.007 0.000 0.250 1045 V C 2.410 178.236 176.094 -0.447 0.000 1.058 1045 V CA 2.329 64.385 62.300 -0.407 0.000 1.022 1045 V CB -1.425 30.290 31.823 -0.181 0.000 0.640 1045 V HN 0.429 nan 8.190 nan 0.000 0.445 1046 L N -0.493 120.438 121.223 -0.486 0.000 2.081 1046 L HA -0.211 4.133 4.340 0.007 0.000 0.212 1046 L C 2.567 179.281 176.870 -0.259 0.000 1.080 1046 L CA 2.229 56.833 54.840 -0.394 0.000 0.754 1046 L CB -0.295 41.495 42.059 -0.448 0.000 0.893 1046 L HN 0.379 nan 8.230 nan 0.000 0.433 1047 S N -0.659 114.893 115.700 -0.247 0.000 2.387 1047 S HA -0.175 4.299 4.470 0.007 0.000 0.226 1047 S C 1.800 176.258 174.600 -0.236 0.000 1.026 1047 S CA 1.332 59.425 58.200 -0.178 0.000 0.972 1047 S CB -0.362 62.780 63.200 -0.096 0.000 0.814 1047 S HN 0.565 nan 8.310 nan 0.000 0.477 1048 N N 0.637 119.078 118.700 -0.432 0.000 2.106 1048 N HA -0.026 4.718 4.740 0.007 0.000 0.188 1048 N C 1.792 177.164 175.510 -0.231 0.000 1.029 1048 N CA 1.360 54.144 53.050 -0.444 0.000 0.848 1048 N CB -0.149 37.827 38.487 -0.852 0.000 1.007 1048 N HN 0.386 nan 8.380 nan 0.000 0.423 1049 I N 1.299 121.749 120.570 -0.200 0.000 2.208 1049 I HA -0.253 3.921 4.170 0.007 0.000 0.245 1049 I C 2.505 178.633 176.117 0.017 0.000 1.097 1049 I CA 1.173 62.445 61.300 -0.046 0.000 1.363 1049 I CB -0.301 37.682 38.000 -0.029 0.000 1.051 1049 I HN 0.305 nan 8.210 nan 0.000 0.413 1050 E N 1.119 121.293 120.200 -0.043 0.000 2.106 1050 E HA -0.225 4.129 4.350 0.007 0.000 0.192 1050 E C 2.253 178.869 176.600 0.026 0.000 0.984 1050 E CA 1.230 57.620 56.400 -0.016 0.000 0.806 1050 E CB 0.054 29.723 29.700 -0.053 0.000 0.750 1050 E HN 0.486 nan 8.360 nan 0.000 0.458 1051 A N 1.027 123.836 122.820 -0.018 0.000 1.858 1051 A HA -0.224 4.100 4.320 0.007 0.000 0.216 1051 A C 2.104 179.689 177.584 0.001 0.000 1.190 1051 A CA 1.537 53.566 52.037 -0.014 0.000 0.617 1051 A CB -0.565 18.410 19.000 -0.042 0.000 0.827 1051 A HN 0.295 nan 8.150 nan 0.000 0.443 1052 Q N -1.986 117.817 119.800 0.004 0.000 2.124 1052 Q HA -0.151 4.193 4.340 0.007 0.000 0.202 1052 Q C 1.918 177.916 176.000 -0.004 0.000 0.977 1052 Q CA 1.477 57.285 55.803 0.008 0.000 0.850 1052 Q CB -0.261 28.494 28.738 0.028 0.000 0.901 1052 Q HN 0.729 nan 8.270 nan 0.000 0.429 1053 F N 0.842 120.721 119.950 -0.118 0.000 2.134 1053 F HA -0.221 4.311 4.527 0.007 0.000 0.299 1053 F C 1.621 177.301 175.800 -0.200 0.000 1.097 1053 F CA 0.884 58.764 58.000 -0.201 0.000 1.264 1053 F CB 0.090 38.952 39.000 -0.231 0.000 1.001 1053 F HN 0.040 nan 8.300 nan 0.000 0.479 1054 L N 0.242 121.475 121.223 0.017 0.000 2.465 1054 L HA -0.051 4.294 4.340 0.007 0.000 0.224 1054 L C 2.211 178.965 176.870 -0.194 0.000 1.145 1054 L CA 1.253 56.046 54.840 -0.078 0.000 0.834 1054 L CB -1.005 41.054 42.059 -0.000 0.000 0.944 1054 L HN 0.092 nan 8.230 nan 0.000 0.451 1055 R N -1.856 118.516 120.500 -0.213 0.000 2.161 1055 R HA 0.060 4.404 4.340 0.007 0.000 0.213 1055 R C 2.071 178.028 176.300 -0.572 0.000 1.055 1055 R CA 0.786 56.731 56.100 -0.257 0.000 0.996 1055 R CB 0.006 30.219 30.300 -0.146 0.000 0.901 1055 R HN 0.224 nan 8.270 nan 0.000 0.456 1056 S N 0.469 115.792 115.700 -0.630 0.000 2.496 1056 S HA 0.035 4.509 4.470 0.007 0.000 0.224 1056 S C 0.786 175.079 174.600 -0.511 0.000 0.996 1056 S CA 0.069 57.819 58.200 -0.751 0.000 0.927 1056 S CB 0.212 63.105 63.200 -0.511 0.000 0.774 1056 S HN -0.033 nan 8.310 nan 0.000 0.524 1057 V N 3.387 123.011 119.914 -0.483 0.000 2.788 1057 V HA 0.001 4.126 4.120 0.007 0.000 0.307 1057 V C 0.555 176.492 176.094 -0.263 0.000 1.069 1057 V CA -0.403 61.693 62.300 -0.340 0.000 1.173 1057 V CB 0.148 31.789 31.823 -0.304 0.000 0.925 1057 V HN 0.155 nan 8.190 nan 0.000 0.492 1058 V N 4.561 124.414 119.914 -0.102 0.000 2.673 1058 V HA 0.025 4.149 4.120 0.007 0.000 0.303 1058 V C 0.580 176.607 176.094 -0.113 0.000 1.046 1058 V CA -0.256 62.027 62.300 -0.028 0.000 1.126 1058 V CB -0.366 31.478 31.823 0.034 0.000 0.934 1058 V HN 0.773 nan 8.190 nan 0.000 0.487 1059 H N 4.551 123.624 119.070 0.004 0.000 2.864 1059 H HA 0.203 4.763 4.556 0.007 0.000 0.281 1059 H C -2.271 173.070 175.328 0.023 0.000 1.093 1059 H CA -1.856 54.213 56.048 0.035 0.000 1.453 1059 H CB 0.857 30.645 29.762 0.042 0.000 1.462 1059 H HN 0.489 nan 8.280 nan 0.000 0.480 1060 P HA -0.107 nan 4.420 nan 0.000 0.255 1060 P C 1.002 178.241 177.300 -0.102 0.000 1.161 1060 P CA 1.337 64.478 63.100 0.069 0.000 0.768 1060 P CB 0.255 32.215 31.700 0.433 0.000 0.746 1061 G N 2.391 111.075 108.800 -0.193 0.000 2.380 1061 G HA2 -0.165 3.799 3.960 0.007 0.000 0.197 1061 G HA3 -0.165 3.799 3.960 0.007 0.000 0.197 1061 G C 0.086 174.879 174.900 -0.178 0.000 1.001 1061 G CA -0.565 44.404 45.100 -0.219 0.000 0.668 1061 G HN 0.460 nan 8.290 nan 0.000 0.483 1062 E N 1.817 121.938 120.200 -0.132 0.000 2.694 1062 E HA 0.077 4.431 4.350 0.007 0.000 0.250 1062 E C 0.623 177.099 176.600 -0.206 0.000 0.963 1062 E CA 0.536 56.845 56.400 -0.152 0.000 0.949 1062 E CB 0.159 29.755 29.700 -0.174 0.000 0.911 1062 E HN 0.273 nan 8.360 nan 0.000 0.500 1063 M N 4.742 124.238 119.600 -0.173 0.000 2.201 1063 M HA 0.041 4.525 4.480 0.007 0.000 0.345 1063 M C 0.974 177.184 176.300 -0.150 0.000 1.352 1063 M CA -0.153 55.045 55.300 -0.170 0.000 1.218 1063 M CB 0.463 32.978 32.600 -0.141 0.000 1.512 1063 M HN 0.179 nan 8.290 nan 0.000 0.447 1064 V N 2.078 121.892 119.914 -0.168 0.000 2.685 1064 V HA 0.055 4.179 4.120 0.007 0.000 0.244 1064 V C 2.280 178.346 176.094 -0.046 0.000 1.054 1064 V CA 1.413 63.651 62.300 -0.103 0.000 1.076 1064 V CB -1.306 30.436 31.823 -0.135 0.000 0.725 1064 V HN 0.921 nan 8.190 nan 0.000 0.467 1065 G N 1.682 110.434 108.800 -0.079 0.000 2.833 1065 G HA2 -0.335 3.629 3.960 0.007 0.000 0.226 1065 G HA3 -0.335 3.629 3.960 0.007 0.000 0.226 1065 G C 1.594 176.443 174.900 -0.085 0.000 1.228 1065 G CA 2.283 47.330 45.100 -0.088 0.000 0.779 1065 G HN 0.366 nan 8.290 nan 0.000 0.651 1066 V N 0.684 120.544 119.914 -0.090 0.000 2.295 1066 V HA -0.137 3.988 4.120 0.007 0.000 0.246 1066 V C 2.711 178.752 176.094 -0.089 0.000 1.049 1066 V CA 1.765 64.014 62.300 -0.086 0.000 1.024 1066 V CB -0.621 31.155 31.823 -0.079 0.000 0.648 1066 V HN 0.357 nan 8.190 nan 0.000 0.447 1067 L N 0.813 121.984 121.223 -0.086 0.000 2.131 1067 L HA -0.042 4.302 4.340 0.007 0.000 0.210 1067 L C 2.310 179.052 176.870 -0.214 0.000 1.092 1067 L CA 2.257 57.027 54.840 -0.116 0.000 0.759 1067 L CB -1.061 40.957 42.059 -0.069 0.000 0.903 1067 L HN 0.243 nan 8.230 nan 0.000 0.435 1068 A N -0.999 121.763 122.820 -0.096 0.000 1.930 1068 A HA 0.150 4.474 4.320 0.007 0.000 0.215 1068 A C 2.410 179.935 177.584 -0.098 0.000 1.176 1068 A CA 1.172 53.183 52.037 -0.044 0.000 0.632 1068 A CB -0.804 18.275 19.000 0.131 0.000 0.819 1068 A HN 0.490 nan 8.150 nan 0.000 0.445 1069 A N -0.392 122.370 122.820 -0.097 0.000 1.855 1069 A HA -0.189 4.135 4.320 0.007 0.000 0.215 1069 A C 2.088 179.608 177.584 -0.107 0.000 1.191 1069 A CA 1.545 53.522 52.037 -0.100 0.000 0.613 1069 A CB -0.672 18.266 19.000 -0.103 0.000 0.829 1069 A HN 0.583 nan 8.150 nan 0.000 0.442 1070 Q N -0.040 119.694 119.800 -0.111 0.000 2.197 1070 Q HA -0.138 4.206 4.340 0.007 0.000 0.207 1070 Q C 2.196 178.141 176.000 -0.092 0.000 0.984 1070 Q CA 1.725 57.472 55.803 -0.093 0.000 0.869 1070 Q CB -0.205 28.500 28.738 -0.054 0.000 0.906 1070 Q HN 0.654 nan 8.270 nan 0.000 0.426 1071 S N -0.060 115.541 115.700 -0.166 0.000 2.489 1071 S HA 0.030 4.504 4.470 0.007 0.000 0.228 1071 S C 1.715 176.253 174.600 -0.103 0.000 0.995 1071 S CA 0.564 58.659 58.200 -0.176 0.000 0.934 1071 S CB 0.142 63.064 63.200 -0.464 0.000 0.771 1071 S HN 0.271 nan 8.310 nan 0.000 0.522 1072 I N 0.831 121.344 120.570 -0.094 0.000 2.810 1072 I HA 0.145 4.319 4.170 0.007 0.000 0.262 1072 I C 2.521 178.595 176.117 -0.071 0.000 1.131 1072 I CA 0.611 61.868 61.300 -0.072 0.000 1.453 1072 I CB -0.512 37.449 38.000 -0.065 0.000 1.161 1072 I HN 0.303 nan 8.210 nan 0.000 0.444 1073 G N 0.306 109.058 108.800 -0.080 0.000 2.509 1073 G HA2 -0.189 3.775 3.960 0.007 0.000 0.218 1073 G HA3 -0.189 3.775 3.960 0.007 0.000 0.218 1073 G C 1.526 176.369 174.900 -0.095 0.000 1.124 1073 G CA 0.377 45.430 45.100 -0.080 0.000 0.776 1073 G HN 0.264 nan 8.290 nan 0.000 0.547 1074 E N 1.099 121.232 120.200 -0.113 0.000 2.021 1074 E HA -0.030 4.324 4.350 0.007 0.000 0.189 1074 E C -0.045 176.506 176.600 -0.082 0.000 0.980 1074 E CA 0.757 57.068 56.400 -0.148 0.000 0.803 1074 E CB -0.443 29.127 29.700 -0.216 0.000 0.766 1074 E HN 0.326 nan 8.360 nan 0.000 0.449 1075 P HA -0.023 nan 4.420 nan 0.000 0.223 1075 P C 1.138 178.417 177.300 -0.035 0.000 1.151 1075 P CA 1.338 64.418 63.100 -0.032 0.000 0.787 1075 P CB -0.082 31.602 31.700 -0.027 0.000 0.788 1076 A N 0.578 123.373 122.820 -0.043 0.000 1.917 1076 A HA -0.189 4.135 4.320 0.007 0.000 0.219 1076 A C 2.219 179.787 177.584 -0.026 0.000 1.182 1076 A CA 2.592 54.609 52.037 -0.033 0.000 0.633 1076 A CB -1.955 17.024 19.000 -0.035 0.000 0.819 1076 A HN 0.252 nan 8.150 nan 0.000 0.448 1077 T N 0.133 114.665 114.554 -0.037 0.000 2.915 1077 T HA -0.055 4.299 4.350 0.007 0.000 0.269 1077 T C 0.798 175.484 174.700 -0.025 0.000 1.071 1077 T CA 1.095 63.175 62.100 -0.033 0.000 1.132 1077 T CB -0.113 68.723 68.868 -0.052 0.000 0.878 1077 T HN 0.534 nan 8.240 nan 0.000 0.479 1078 Q N 1.106 120.891 119.800 -0.024 0.000 3.041 1078 Q HA 0.440 4.785 4.340 0.007 0.000 0.372 1078 Q C -0.625 175.370 176.000 -0.008 0.000 1.241 1078 Q CA 0.150 55.945 55.803 -0.014 0.000 1.010 1078 Q CB -0.340 28.392 28.738 -0.010 0.000 1.467 1078 Q HN 0.538 nan 8.270 nan 0.000 0.462 1079 M N 0.676 120.272 119.600 -0.006 0.000 2.151 1079 M HA 0.423 4.907 4.480 0.007 0.000 0.290 1079 M C -0.855 175.447 176.300 0.004 0.000 0.965 1079 M CA -0.140 55.160 55.300 -0.000 0.000 0.930 1079 M CB 2.505 35.105 32.600 -0.001 0.000 1.560 1079 M HN -0.095 nan 8.290 nan 0.000 0.438 1080 T N 3.484 118.043 114.554 0.008 0.000 3.105 1080 T HA 0.600 4.954 4.350 0.007 0.000 0.321 1080 T C -0.844 173.866 174.700 0.016 0.000 1.135 1080 T CA -0.550 61.556 62.100 0.010 0.000 1.053 1080 T CB 1.848 70.720 68.868 0.008 0.000 1.133 1080 T HN 0.459 nan 8.240 nan 0.000 0.463 1093 K N -0.180 120.235 120.400 0.025 0.000 2.598 1093 K HA 0.120 4.444 4.320 0.007 0.000 0.214 1093 K C 0.215 176.835 176.600 0.034 0.000 1.575 1093 K CA 0.047 56.350 56.287 0.027 0.000 1.042 1093 K CB 1.362 33.876 32.500 0.024 0.000 1.338 1093 K HN 0.012 nan 8.250 nan 0.000 0.590 1094 V N 3.726 123.666 119.914 0.043 0.000 2.572 1094 V HA 0.021 4.145 4.120 0.007 0.000 0.291 1094 V C 0.554 176.678 176.094 0.050 0.000 1.039 1094 V CA -0.416 61.915 62.300 0.052 0.000 1.055 1094 V CB 0.430 32.296 31.823 0.071 0.000 0.969 1094 V HN 0.331 nan 8.190 nan 0.000 0.482 1095 T N 2.646 117.229 114.554 0.048 0.000 2.866 1095 T HA 0.339 4.693 4.350 0.007 0.000 0.293 1095 T C 0.275 175.006 174.700 0.053 0.000 1.005 1095 T CA 0.030 62.158 62.100 0.047 0.000 1.162 1095 T CB 0.073 68.969 68.868 0.047 0.000 0.968 1095 T HN 1.126 nan 8.240 nan 0.000 0.530 1096 S N 1.520 117.246 115.700 0.044 0.000 2.651 1096 S HA 0.929 5.403 4.470 0.007 0.000 0.279 1096 S C 0.273 174.893 174.600 0.032 0.000 1.148 1096 S CA -0.360 57.865 58.200 0.041 0.000 0.837 1096 S CB 1.598 64.822 63.200 0.040 0.000 1.138 1096 S HN 2.156 nan 8.310 nan 0.000 0.478 1097 G N -0.102 108.713 108.800 0.025 0.000 2.660 1097 G HA2 -0.134 3.830 3.960 0.007 0.000 0.215 1097 G HA3 -0.134 3.830 3.960 0.007 0.000 0.215 1097 G C 0.431 175.344 174.900 0.021 0.000 1.345 1097 G CA -0.199 44.912 45.100 0.019 0.000 0.877 1097 G HN 1.607 nan 8.290 nan 0.000 0.549 1098 V N 2.168 122.094 119.914 0.020 0.000 2.392 1098 V HA -0.118 4.006 4.120 0.007 0.000 0.249 1098 V C 0.781 176.897 176.094 0.037 0.000 1.059 1098 V CA 2.910 65.225 62.300 0.025 0.000 1.051 1098 V CB -1.588 30.249 31.823 0.024 0.000 0.658 1098 V HN 0.733 nan 8.190 nan 0.000 0.455 1099 P HA -0.218 nan 4.420 nan 0.000 0.215 1099 P C 1.654 178.985 177.300 0.052 0.000 1.157 1099 P CA 1.758 64.885 63.100 0.044 0.000 0.868 1099 P CB 0.001 31.723 31.700 0.037 0.000 0.788 1100 R N 0.284 120.814 120.500 0.051 0.000 2.070 1100 R HA -0.089 4.255 4.340 0.007 0.000 0.232 1100 R C 2.383 178.725 176.300 0.070 0.000 1.138 1100 R CA 1.117 57.256 56.100 0.064 0.000 0.936 1100 R CB -1.795 28.543 30.300 0.062 0.000 0.839 1100 R HN 0.009 nan 8.270 nan 0.000 0.429 1101 L N 1.272 122.525 121.223 0.051 0.000 2.270 1101 L HA -0.189 4.155 4.340 0.007 0.000 0.217 1101 L C 2.012 178.917 176.870 0.058 0.000 1.107 1101 L CA 1.898 56.762 54.840 0.040 0.000 0.772 1101 L CB -0.389 41.680 42.059 0.017 0.000 0.902 1101 L HN 0.301 nan 8.230 nan 0.000 0.439 1102 K N -0.881 119.562 120.400 0.071 0.000 2.167 1102 K HA -0.122 4.203 4.320 0.007 0.000 0.203 1102 K C 1.837 178.500 176.600 0.105 0.000 1.052 1102 K CA 1.164 57.505 56.287 0.090 0.000 0.956 1102 K CB 0.095 32.649 32.500 0.090 0.000 0.735 1102 K HN 0.483 nan 8.250 nan 0.000 0.451 1103 E N 0.622 120.886 120.200 0.107 0.000 2.028 1103 E HA -0.146 4.208 4.350 0.007 0.000 0.190 1103 E C 1.899 178.620 176.600 0.201 0.000 0.984 1103 E CA 0.957 57.435 56.400 0.131 0.000 0.800 1103 E CB -0.001 29.769 29.700 0.117 0.000 0.758 1103 E HN 0.170 nan 8.360 nan 0.000 0.448 1104 I N 0.934 121.630 120.570 0.210 0.000 2.248 1104 I HA -0.249 3.925 4.170 0.007 0.000 0.248 1104 I C 2.055 178.259 176.117 0.145 0.000 1.107 1104 I CA 1.566 62.995 61.300 0.215 0.000 1.373 1104 I CB -0.886 37.134 38.000 0.034 0.000 1.055 1104 I HN 0.154 nan 8.210 nan 0.000 0.418 1105 L N -0.116 121.170 121.223 0.105 0.000 2.653 1105 L HA 0.129 4.473 4.340 0.007 0.000 0.231 1105 L C 1.507 178.454 176.870 0.129 0.000 1.153 1105 L CA 0.195 55.084 54.840 0.082 0.000 0.933 1105 L CB -0.420 41.662 42.059 0.038 0.000 1.175 1105 L HN 0.251 nan 8.230 nan 0.000 0.473 1106 N N -0.819 117.977 118.700 0.160 0.000 2.210 1106 N HA 0.073 4.817 4.740 0.007 0.000 0.203 1106 N C 0.091 175.694 175.510 0.156 0.000 1.175 1106 N CA 0.034 53.177 53.050 0.154 0.000 0.894 1106 N CB 1.570 40.137 38.487 0.133 0.000 1.041 1106 N HN -0.077 nan 8.380 nan 0.000 0.506 1107 V N 1.741 121.793 119.914 0.231 0.000 5.957 1107 V HA -0.259 3.866 4.120 0.007 0.000 0.225 1107 V C 0.230 176.365 176.094 0.069 0.000 0.661 1107 V CA 0.432 62.868 62.300 0.227 0.000 0.571 1107 V CB -2.364 29.582 31.823 0.205 0.000 0.361 1107 V HN 0.343 nan 8.190 nan 0.000 0.495 1108 A N 3.597 126.447 122.820 0.051 0.000 2.362 1108 A HA 0.547 4.871 4.320 0.007 0.000 0.276 1108 A C 1.222 178.763 177.584 -0.073 0.000 1.153 1108 A CA -0.412 51.626 52.037 0.000 0.000 0.813 1108 A CB 0.517 19.535 19.000 0.031 0.000 1.081 1108 A HN 0.527 nan 8.150 nan 0.000 0.507 1109 K N 1.677 122.039 120.400 -0.064 0.000 2.296 1109 K HA -0.022 4.302 4.320 0.007 0.000 0.200 1109 K C -0.048 176.515 176.600 -0.063 0.000 1.048 1109 K CA 0.610 56.850 56.287 -0.078 0.000 0.966 1109 K CB 0.109 32.572 32.500 -0.062 0.000 0.754 1109 K HN 0.713 nan 8.250 nan 0.000 0.466 1110 N N 2.277 120.953 118.700 -0.040 0.000 2.994 1110 N HA 0.087 4.831 4.740 0.007 0.000 0.306 1110 N C 0.057 175.556 175.510 -0.019 0.000 1.348 1110 N CA -0.052 52.982 53.050 -0.027 0.000 1.109 1110 N CB 0.174 38.653 38.487 -0.014 0.000 1.415 1110 N HN 0.266 nan 8.380 nan 0.000 0.529 1111 M N -1.457 118.124 119.600 -0.032 0.000 2.211 1111 M HA 0.279 4.763 4.480 0.007 0.000 0.356 1111 M C 0.801 177.097 176.300 -0.008 0.000 1.216 1111 M CA -0.231 55.059 55.300 -0.016 0.000 1.134 1111 M CB 1.583 34.163 32.600 -0.032 0.000 1.564 1111 M HN -0.167 nan 8.290 nan 0.000 0.463 1112 K N 1.403 121.808 120.400 0.009 0.000 2.002 1112 K HA -0.004 4.320 4.320 0.007 0.000 0.209 1112 K C 0.131 176.736 176.600 0.009 0.000 1.048 1112 K CA 1.411 57.704 56.287 0.011 0.000 0.930 1112 K CB -0.045 32.468 32.500 0.021 0.000 0.714 1112 K HN 0.768 nan 8.250 nan 0.000 0.438 1113 T N 3.802 118.365 114.554 0.016 0.000 2.947 1113 T HA 0.279 4.633 4.350 0.007 0.000 0.337 1113 T C -2.652 172.052 174.700 0.008 0.000 1.139 1113 T CA -1.573 60.536 62.100 0.015 0.000 0.992 1113 T CB 1.625 70.510 68.868 0.029 0.000 1.043 1113 T HN -0.030 nan 8.240 nan 0.000 0.498 1114 P HA 0.620 nan 4.420 nan 0.000 0.290 1114 P C -0.837 176.452 177.300 -0.018 0.000 1.275 1114 P CA -0.760 62.325 63.100 -0.026 0.000 0.841 1114 P CB 1.287 32.962 31.700 -0.042 0.000 1.042 1115 S N 2.510 118.193 115.700 -0.028 0.000 2.605 1115 S HA 0.418 4.892 4.470 0.007 0.000 0.279 1115 S C -1.325 173.249 174.600 -0.044 0.000 1.166 1115 S CA -0.612 57.579 58.200 -0.016 0.000 0.975 1115 S CB 0.127 63.339 63.200 0.020 0.000 1.111 1115 S HN 0.121 nan 8.310 nan 0.000 0.465 1116 L N 3.655 124.855 121.223 -0.037 0.000 2.375 1116 L HA 0.582 4.927 4.340 0.007 0.000 0.271 1116 L C 0.409 177.257 176.870 -0.037 0.000 1.107 1116 L CA 0.261 55.071 54.840 -0.050 0.000 0.806 1116 L CB 1.242 43.277 42.059 -0.039 0.000 1.146 1116 L HN 0.814 nan 8.230 nan 0.000 0.447 1117 T N 2.341 116.854 114.554 -0.068 0.000 3.064 1117 T HA 0.384 4.739 4.350 0.007 0.000 0.367 1117 T C -0.162 174.347 174.700 -0.318 0.000 1.202 1117 T CA -0.525 61.484 62.100 -0.151 0.000 1.133 1117 T CB 0.820 69.617 68.868 -0.118 0.000 1.074 1117 T HN 0.333 nan 8.240 nan 0.000 0.519 1118 V N 1.164 120.940 119.914 -0.230 0.000 2.546 1118 V HA 0.635 4.759 4.120 0.007 0.000 0.284 1118 V C -0.819 175.121 176.094 -0.258 0.000 1.050 1118 V CA -0.915 61.283 62.300 -0.170 0.000 0.981 1118 V CB -0.063 31.738 31.823 -0.037 0.000 0.990 1118 V HN 0.595 nan 8.190 nan 0.000 0.474 1119 Y N 3.194 123.521 120.300 0.044 0.000 2.420 1119 Y HA 0.674 5.228 4.550 0.007 0.000 0.334 1119 Y C 0.181 176.122 175.900 0.069 0.000 1.094 1119 Y CA -1.001 57.127 58.100 0.047 0.000 1.126 1119 Y CB 1.539 40.004 38.460 0.009 0.000 1.217 1119 Y HN 0.518 nan 8.280 nan 0.000 0.462 1120 L N 1.559 122.941 121.223 0.265 0.000 2.472 1120 L HA 0.107 4.451 4.340 0.007 0.000 0.260 1120 L C 0.543 177.519 176.870 0.177 0.000 1.209 1120 L CA -0.143 54.815 54.840 0.197 0.000 0.817 1120 L CB 0.276 42.467 42.059 0.220 0.000 1.106 1120 L HN 0.626 nan 8.230 nan 0.000 0.479 1121 E N 2.879 123.178 120.200 0.164 0.000 2.465 1121 E HA -0.048 4.306 4.350 0.007 0.000 0.260 1121 E C -1.661 175.027 176.600 0.147 0.000 0.980 1121 E CA -1.042 55.456 56.400 0.164 0.000 0.927 1121 E CB 0.809 30.641 29.700 0.220 0.000 0.934 1121 E HN 0.357 nan 8.360 nan 0.000 0.459 1122 P HA -0.236 nan 4.420 nan 0.000 0.219 1122 P C 1.009 178.318 177.300 0.015 0.000 1.161 1122 P CA 1.991 65.114 63.100 0.038 0.000 0.909 1122 P CB 0.026 31.735 31.700 0.015 0.000 0.793 1123 G N -0.761 108.022 108.800 -0.029 0.000 2.434 1123 G HA2 -0.179 3.786 3.960 0.007 0.000 0.214 1123 G HA3 -0.179 3.786 3.960 0.007 0.000 0.214 1123 G C 0.567 175.370 174.900 -0.161 0.000 1.202 1123 G CA 0.390 45.402 45.100 -0.147 0.000 0.788 1123 G HN 0.355 nan 8.290 nan 0.000 0.539 1124 H N 1.598 120.698 119.070 0.051 0.000 3.432 1124 H HA 0.397 4.958 4.556 0.007 0.000 0.252 1124 H C 1.139 176.526 175.328 0.099 0.000 1.397 1124 H CA 0.271 56.360 56.048 0.068 0.000 1.549 1124 H CB 0.346 30.144 29.762 0.060 0.000 1.699 1124 H HN 0.314 nan 8.280 nan 0.000 0.523 1125 A N 3.046 125.964 122.820 0.164 0.000 2.054 1125 A HA 0.275 4.599 4.320 0.007 0.000 0.221 1125 A C 2.029 179.764 177.584 0.251 0.000 1.587 1125 A CA 0.584 52.724 52.037 0.172 0.000 0.664 1125 A CB -0.514 18.543 19.000 0.096 0.000 1.248 1125 A HN 0.568 nan 8.150 nan 0.000 0.527 1126 A N 0.179 123.127 122.820 0.212 0.000 2.291 1126 A HA 0.181 4.505 4.320 0.007 0.000 0.220 1126 A C -0.126 177.681 177.584 0.372 0.000 1.262 1126 A CA 0.018 52.227 52.037 0.286 0.000 0.867 1126 A CB -0.559 18.533 19.000 0.153 0.000 0.888 1126 A HN 0.383 nan 8.150 nan 0.000 0.487 1127 D N 1.012 121.593 120.400 0.303 0.000 2.541 1127 D HA 0.072 4.717 4.640 0.007 0.000 0.231 1127 D C 1.483 177.806 176.300 0.038 0.000 1.163 1127 D CA 0.281 54.386 54.000 0.176 0.000 1.077 1127 D CB 0.596 41.491 40.800 0.158 0.000 1.110 1127 D HN 0.727 nan 8.370 nan 0.000 0.499 1128 Q N 1.076 120.863 119.800 -0.022 0.000 2.291 1128 Q HA -0.160 4.184 4.340 0.007 0.000 0.205 1128 Q C 1.574 177.358 176.000 -0.361 0.000 0.970 1128 Q CA 1.216 56.734 55.803 -0.475 0.000 0.876 1128 Q CB 0.076 28.654 28.738 -0.267 0.000 0.935 1128 Q HN 0.268 nan 8.270 nan 0.000 0.455 1129 E N 0.725 120.826 120.200 -0.164 0.000 2.107 1129 E HA -0.236 4.118 4.350 0.007 0.000 0.191 1129 E C 1.896 178.414 176.600 -0.136 0.000 0.982 1129 E CA 1.253 57.574 56.400 -0.132 0.000 0.809 1129 E CB 0.021 29.681 29.700 -0.066 0.000 0.756 1129 E HN 0.692 nan 8.360 nan 0.000 0.459 1130 Q N -0.314 119.420 119.800 -0.110 0.000 2.230 1130 Q HA -0.046 4.298 4.340 0.007 0.000 0.202 1130 Q C 1.969 177.892 176.000 -0.128 0.000 0.963 1130 Q CA 0.927 56.670 55.803 -0.100 0.000 0.866 1130 Q CB -0.022 28.675 28.738 -0.068 0.000 0.931 1130 Q HN 0.294 nan 8.270 nan 0.000 0.452 1131 A N 1.004 123.699 122.820 -0.210 0.000 1.883 1131 A HA -0.256 4.068 4.320 0.007 0.000 0.217 1131 A C 1.956 179.400 177.584 -0.235 0.000 1.186 1131 A CA 1.853 53.729 52.037 -0.269 0.000 0.624 1131 A CB -0.365 18.248 19.000 -0.646 0.000 0.822 1131 A HN 0.246 nan 8.150 nan 0.000 0.444 1132 K N -0.553 119.691 120.400 -0.259 0.000 2.026 1132 K HA 0.007 4.331 4.320 0.007 0.000 0.208 1132 K C 1.839 178.354 176.600 -0.143 0.000 1.048 1132 K CA 1.286 57.448 56.287 -0.207 0.000 0.929 1132 K CB -0.387 31.993 32.500 -0.200 0.000 0.713 1132 K HN 0.461 nan 8.250 nan 0.000 0.439 1133 L N 0.348 121.497 121.223 -0.122 0.000 2.127 1133 L HA -0.187 4.157 4.340 0.007 0.000 0.211 1133 L C 2.011 178.837 176.870 -0.074 0.000 1.089 1133 L CA 1.115 55.901 54.840 -0.091 0.000 0.757 1133 L CB -0.207 41.801 42.059 -0.085 0.000 0.899 1133 L HN 0.226 nan 8.230 nan 0.000 0.434 1134 I N -1.329 119.199 120.570 -0.071 0.000 2.406 1134 I HA -0.208 3.966 4.170 0.007 0.000 0.249 1134 I C 2.707 178.801 176.117 -0.038 0.000 1.122 1134 I CA 0.536 61.809 61.300 -0.045 0.000 1.431 1134 I CB -0.351 37.632 38.000 -0.028 0.000 1.087 1134 I HN 0.200 nan 8.210 nan 0.000 0.424 1135 R N 1.254 121.721 120.500 -0.056 0.000 2.096 1135 R HA -0.232 4.112 4.340 0.007 0.000 0.240 1135 R C 2.269 178.551 176.300 -0.030 0.000 1.139 1135 R CA 2.225 58.298 56.100 -0.045 0.000 0.952 1135 R CB -0.365 29.878 30.300 -0.096 0.000 0.854 1135 R HN 0.428 nan 8.270 nan 0.000 0.436 1136 S N -1.110 114.560 115.700 -0.050 0.000 2.607 1136 S HA 0.106 4.580 4.470 0.007 0.000 0.224 1136 S C 1.281 175.862 174.600 -0.031 0.000 0.969 1136 S CA 0.514 58.691 58.200 -0.039 0.000 0.927 1136 S CB 0.537 63.703 63.200 -0.056 0.000 0.772 1136 S HN 0.439 nan 8.310 nan 0.000 0.533 1137 A N 0.278 123.082 122.820 -0.026 0.000 2.431 1137 A HA 0.492 4.816 4.320 0.007 0.000 0.239 1137 A C 1.467 179.048 177.584 -0.005 0.000 1.230 1137 A CA -0.182 51.843 52.037 -0.020 0.000 0.928 1137 A CB 0.033 19.017 19.000 -0.025 0.000 1.006 1137 A HN 0.511 nan 8.150 nan 0.000 0.520 1138 I N -0.668 119.904 120.570 0.004 0.000 3.132 1138 I HA 0.110 4.285 4.170 0.007 0.000 0.255 1138 I C 0.945 177.087 176.117 0.042 0.000 1.118 1138 I CA 0.192 61.504 61.300 0.020 0.000 1.463 1138 I CB -1.425 36.585 38.000 0.017 0.000 1.356 1138 I HN 0.361 nan 8.210 nan 0.000 0.463 1139 E N 2.416 122.644 120.200 0.046 0.000 2.868 1139 E HA -0.208 4.146 4.350 0.007 0.000 0.246 1139 E C -0.123 176.521 176.600 0.074 0.000 0.962 1139 E CA 0.329 56.771 56.400 0.070 0.000 0.955 1139 E CB -0.056 29.693 29.700 0.083 0.000 0.903 1139 E HN 0.182 nan 8.360 nan 0.000 0.524 1140 H N 2.978 122.044 119.070 -0.008 0.000 2.815 1140 H HA 0.143 4.703 4.556 0.007 0.000 0.350 1140 H C -0.944 174.371 175.328 -0.020 0.000 1.080 1140 H CA 0.576 56.613 56.048 -0.018 0.000 1.433 1140 H CB 0.770 30.520 29.762 -0.021 0.000 1.432 1140 H HN 0.336 nan 8.280 nan 0.000 0.592 1141 T N 4.587 118.831 114.554 -0.517 0.000 3.109 1141 T HA 0.297 4.652 4.350 0.007 0.000 0.311 1141 T C -0.690 173.741 174.700 -0.448 0.000 1.011 1141 T CA -0.793 61.096 62.100 -0.352 0.000 1.026 1141 T CB 1.015 69.776 68.868 -0.178 0.000 1.047 1141 T HN 0.743 nan 8.240 nan 0.000 0.448 1142 T N 0.620 114.997 114.554 -0.294 0.000 2.952 1142 T HA 0.548 4.902 4.350 0.007 0.000 0.286 1142 T C 1.123 175.753 174.700 -0.117 0.000 1.024 1142 T CA -0.903 61.086 62.100 -0.185 0.000 1.029 1142 T CB 1.194 70.016 68.868 -0.076 0.000 1.094 1142 T HN 0.214 nan 8.240 nan 0.000 0.515 1143 L N 0.751 121.919 121.223 -0.092 0.000 2.201 1143 L HA 0.125 4.469 4.340 0.007 0.000 0.212 1143 L C 2.516 179.357 176.870 -0.049 0.000 1.105 1143 L CA 1.696 56.494 54.840 -0.070 0.000 0.775 1143 L CB -1.000 41.022 42.059 -0.061 0.000 0.913 1143 L HN 0.884 nan 8.230 nan 0.000 0.440 1144 K N -0.712 119.665 120.400 -0.038 0.000 2.103 1144 K HA -0.159 4.165 4.320 0.007 0.000 0.207 1144 K C 1.909 178.494 176.600 -0.025 0.000 1.048 1144 K CA 1.555 57.828 56.287 -0.024 0.000 0.930 1144 K CB -0.088 32.405 32.500 -0.012 0.000 0.716 1144 K HN 0.550 nan 8.250 nan 0.000 0.444 1145 S N -0.298 115.382 115.700 -0.033 0.000 2.603 1145 S HA -0.040 4.435 4.470 0.007 0.000 0.229 1145 S C 1.433 176.013 174.600 -0.034 0.000 0.972 1145 S CA 0.729 58.911 58.200 -0.031 0.000 0.935 1145 S CB 0.174 63.352 63.200 -0.036 0.000 0.769 1145 S HN 0.262 nan 8.310 nan 0.000 0.536 1146 V N -3.542 116.349 119.914 -0.037 0.000 3.411 1146 V HA 0.326 4.450 4.120 0.007 0.000 0.287 1146 V C 0.166 176.242 176.094 -0.031 0.000 1.543 1146 V CA -0.291 61.987 62.300 -0.036 0.000 1.028 1146 V CB -0.433 31.361 31.823 -0.047 0.000 0.840 1146 V HN 0.239 nan 8.190 nan 0.000 0.435 1147 T N 3.342 117.879 114.554 -0.028 0.000 2.737 1147 T HA 0.450 4.804 4.350 0.007 0.000 0.296 1147 T C 1.314 176.003 174.700 -0.018 0.000 0.922 1147 T CA -0.079 62.008 62.100 -0.023 0.000 1.079 1147 T CB 1.436 70.292 68.868 -0.021 0.000 0.892 1147 T HN 0.060 nan 8.240 nan 0.000 0.514 1148 I N 1.955 122.515 120.570 -0.016 0.000 2.110 1148 I HA 0.057 4.231 4.170 0.007 0.000 0.236 1148 I C 1.385 177.495 176.117 -0.010 0.000 1.068 1148 I CA 1.039 62.332 61.300 -0.012 0.000 1.333 1148 I CB -0.735 37.259 38.000 -0.010 0.000 1.054 1148 I HN 0.607 nan 8.210 nan 0.000 0.402 1149 A N 0.112 122.924 122.820 -0.014 0.000 2.402 1149 A HA 0.463 4.787 4.320 0.007 0.000 0.291 1149 A C -0.262 177.307 177.584 -0.024 0.000 1.051 1149 A CA -0.348 51.680 52.037 -0.014 0.000 0.716 1149 A CB 1.276 20.270 19.000 -0.010 0.000 1.223 1149 A HN 0.152 nan 8.150 nan 0.000 0.425 1150 S N 2.548 118.237 115.700 -0.017 0.000 2.410 1150 S HA 0.501 4.975 4.470 0.007 0.000 0.304 1150 S C -0.366 174.222 174.600 -0.021 0.000 1.095 1150 S CA -0.196 57.992 58.200 -0.020 0.000 1.089 1150 S CB 0.056 63.251 63.200 -0.009 0.000 0.968 1150 S HN 0.630 nan 8.310 nan 0.000 0.480 1151 E N 3.360 123.527 120.200 -0.055 0.000 2.227 1151 E HA 0.477 4.831 4.350 0.007 0.000 0.268 1151 E C -1.150 175.442 176.600 -0.014 0.000 0.907 1151 E CA -0.757 55.613 56.400 -0.051 0.000 0.786 1151 E CB 1.766 31.342 29.700 -0.207 0.000 1.191 1151 E HN 0.568 nan 8.360 nan 0.000 0.411 1152 I N 3.432 124.070 120.570 0.114 0.000 2.388 1152 I HA 0.175 4.350 4.170 0.007 0.000 0.281 1152 I C -0.882 175.513 176.117 0.464 0.000 1.046 1152 I CA -0.349 61.076 61.300 0.208 0.000 1.187 1152 I CB -0.109 37.971 38.000 0.133 0.000 1.351 1152 I HN 0.369 nan 8.210 nan 0.000 0.472 1153 Y N 4.366 124.782 120.300 0.193 0.000 2.334 1153 Y HA 0.243 4.797 4.550 0.007 0.000 0.325 1153 Y C -0.217 175.889 175.900 0.343 0.000 1.308 1153 Y CA -1.129 57.101 58.100 0.216 0.000 1.389 1153 Y CB 0.578 39.111 38.460 0.121 0.000 1.328 1153 Y HN 0.417 nan 8.280 nan 0.000 0.532 1154 Y N 1.931 122.386 120.300 0.259 0.000 2.464 1154 Y HA 0.392 4.946 4.550 0.007 0.000 0.326 1154 Y C -1.316 174.552 175.900 -0.054 0.000 0.969 1154 Y CA -0.999 57.117 58.100 0.027 0.000 1.270 1154 Y CB 0.560 38.956 38.460 -0.107 0.000 1.103 1154 Y HN 0.474 nan 8.280 nan 0.000 0.491 1155 D N 8.629 128.734 120.400 -0.490 0.000 2.421 1155 D HA 0.337 4.981 4.640 0.007 0.000 0.254 1155 D C -2.219 173.769 176.300 -0.521 0.000 1.238 1155 D CA -2.186 51.553 54.000 -0.435 0.000 0.919 1155 D CB 2.071 42.791 40.800 -0.133 0.000 1.152 1155 D HN 0.322 nan 8.370 nan 0.000 0.552 1156 P HA 0.075 nan 4.420 nan 0.000 0.235 1156 P C 0.010 177.155 177.300 -0.259 0.000 1.177 1156 P CA 0.117 62.926 63.100 -0.484 0.000 0.785 1156 P CB 0.590 31.992 31.700 -0.495 0.000 0.885 1157 D N 0.997 121.270 120.400 -0.211 0.000 2.411 1157 D HA 0.161 4.805 4.640 0.007 0.000 0.225 1157 D C -1.655 174.577 176.300 -0.113 0.000 1.156 1157 D CA -2.308 51.611 54.000 -0.134 0.000 0.874 1157 D CB 0.943 41.680 40.800 -0.104 0.000 1.034 1157 D HN -0.025 nan 8.370 nan 0.000 0.502 1158 P HA -0.050 nan 4.420 nan 0.000 0.223 1158 P C 1.239 178.496 177.300 -0.070 0.000 1.151 1158 P CA 0.576 63.619 63.100 -0.094 0.000 0.787 1158 P CB 0.404 32.035 31.700 -0.115 0.000 0.788 1159 R N 0.025 120.487 120.500 -0.064 0.000 2.075 1159 R HA 0.103 4.448 4.340 0.007 0.000 0.226 1159 R C 1.015 177.293 176.300 -0.037 0.000 1.114 1159 R CA 1.110 57.182 56.100 -0.046 0.000 0.972 1159 R CB -1.003 29.272 30.300 -0.041 0.000 0.869 1159 R HN 0.308 nan 8.270 nan 0.000 0.437 1160 S N -0.036 115.639 115.700 -0.042 0.000 2.547 1160 S HA 0.500 4.974 4.470 0.007 0.000 0.281 1160 S C -0.429 174.148 174.600 -0.037 0.000 1.118 1160 S CA -0.849 57.332 58.200 -0.032 0.000 0.947 1160 S CB 2.813 65.997 63.200 -0.026 0.000 1.053 1160 S HN -0.044 nan 8.310 nan 0.000 0.482 1161 T N 1.541 116.081 114.554 -0.023 0.000 2.943 1161 T HA 0.454 4.808 4.350 0.007 0.000 0.284 1161 T C 0.430 175.126 174.700 -0.006 0.000 1.015 1161 T CA -0.716 61.374 62.100 -0.015 0.000 1.042 1161 T CB 1.251 70.124 68.868 0.007 0.000 1.055 1161 T HN 0.609 nan 8.240 nan 0.000 0.500 1162 V N 2.295 122.209 119.914 -0.000 0.000 3.021 1162 V HA 0.384 4.508 4.120 0.007 0.000 0.385 1162 V C -0.256 175.855 176.094 0.030 0.000 1.303 1162 V CA -0.063 62.239 62.300 0.003 0.000 1.471 1162 V CB -1.601 30.213 31.823 -0.015 0.000 1.419 1162 V HN 0.616 nan 8.190 nan 0.000 0.551 1163 I N 1.804 122.401 120.570 0.044 0.000 2.571 1163 I HA 0.363 4.537 4.170 0.007 0.000 0.289 1163 I C -1.688 174.456 176.117 0.044 0.000 1.115 1163 I CA -1.504 59.837 61.300 0.068 0.000 1.045 1163 I CB 3.370 41.444 38.000 0.123 0.000 1.238 1163 I HN -0.017 nan 8.210 nan 0.000 0.424 1164 P HA 0.007 nan 4.420 nan 0.000 0.224 1164 P C 0.852 178.168 177.300 0.027 0.000 1.157 1164 P CA 1.067 64.184 63.100 0.028 0.000 0.799 1164 P CB 0.485 32.200 31.700 0.025 0.000 0.809 1165 E N 0.688 120.909 120.200 0.036 0.000 2.107 1165 E HA -0.081 4.273 4.350 0.007 0.000 0.191 1165 E C 0.162 176.775 176.600 0.022 0.000 0.982 1165 E CA 1.032 57.450 56.400 0.029 0.000 0.809 1165 E CB -0.129 29.592 29.700 0.036 0.000 0.756 1165 E HN 0.491 nan 8.360 nan 0.000 0.459 1166 D N -0.135 120.280 120.400 0.025 0.000 2.656 1166 D HA 0.061 4.705 4.640 0.007 0.000 0.303 1166 D C 0.006 176.312 176.300 0.010 0.000 1.199 1166 D CA -0.035 53.973 54.000 0.013 0.000 0.797 1166 D CB 0.490 41.294 40.800 0.006 0.000 1.170 1166 D HN 0.058 nan 8.370 nan 0.000 0.509 1167 E N 0.466 120.671 120.200 0.008 0.000 2.465 1167 E HA -0.078 4.277 4.350 0.007 0.000 0.209 1167 E C 1.434 178.032 176.600 -0.005 0.000 0.951 1167 E CA 0.138 56.538 56.400 0.001 0.000 0.997 1167 E CB 0.575 30.278 29.700 0.004 0.000 1.025 1167 E HN 0.123 nan 8.360 nan 0.000 0.500 1168 E N 1.075 121.274 120.200 -0.002 0.000 2.150 1168 E HA -0.114 4.240 4.350 0.007 0.000 0.193 1168 E C 1.452 178.043 176.600 -0.015 0.000 0.985 1168 E CA 1.044 57.441 56.400 -0.004 0.000 0.814 1168 E CB -0.207 29.495 29.700 0.002 0.000 0.752 1168 E HN 0.382 nan 8.360 nan 0.000 0.466 1169 I N 1.999 122.554 120.570 -0.025 0.000 3.241 1169 I HA -0.063 4.112 4.170 0.007 0.000 0.280 1169 I C 1.435 177.503 176.117 -0.081 0.000 1.320 1169 I CA 0.073 61.340 61.300 -0.054 0.000 1.413 1169 I CB -0.890 37.077 38.000 -0.055 0.000 1.060 1169 I HN 0.238 nan 8.210 nan 0.000 0.500 1170 I N -1.128 119.413 120.570 -0.049 0.000 4.062 1170 I HA 0.077 4.252 4.170 0.007 0.000 0.202 1170 I C 0.656 176.760 176.117 -0.022 0.000 1.549 1170 I CA -0.414 60.861 61.300 -0.043 0.000 0.826 1170 I CB -0.024 37.962 38.000 -0.023 0.000 1.835 1170 I HN -0.177 nan 8.210 nan 0.000 0.851 1171 Q N 1.008 120.811 119.800 0.005 0.000 2.247 1171 Q HA 0.423 4.768 4.340 0.007 0.000 0.234 1171 Q C -0.298 175.718 176.000 0.027 0.000 0.899 1171 Q CA 0.039 55.848 55.803 0.010 0.000 0.951 1171 Q CB -0.828 27.920 28.738 0.018 0.000 1.057 1171 Q HN 0.410 nan 8.270 nan 0.000 0.444 1172 L N -0.869 120.357 121.223 0.005 0.000 2.475 1172 L HA 0.087 4.432 4.340 0.007 0.000 0.212 1172 L C 1.204 178.071 176.870 -0.004 0.000 1.204 1172 L CA -0.275 54.557 54.840 -0.012 0.000 0.843 1172 L CB 0.126 42.107 42.059 -0.130 0.000 1.360 1172 L HN 0.324 nan 8.230 nan 0.000 0.527 1173 H N 0.101 119.067 119.070 -0.172 0.000 2.727 1173 H HA 0.286 4.846 4.556 0.007 0.000 0.312 1173 H C -1.000 173.821 175.328 -0.847 0.000 1.204 1173 H CA -0.485 55.230 56.048 -0.554 0.000 1.122 1173 H CB -0.347 29.108 29.762 -0.511 0.000 1.453 1173 H HN 0.383 nan 8.280 nan 0.000 0.514 1174 F N -1.825 118.155 119.950 0.050 0.000 2.183 1174 F HA -0.340 4.191 4.527 0.007 0.000 0.318 1174 F C 0.923 176.725 175.800 0.004 0.000 1.290 1174 F CA 0.097 58.090 58.000 -0.012 0.000 0.912 1174 F CB -1.569 37.381 39.000 -0.084 0.000 4.135 1174 F HN 0.321 nan 8.300 nan 0.000 0.137 1175 S N -0.208 115.600 115.700 0.180 0.000 4.529 1175 S HA 0.015 4.489 4.470 0.007 0.000 0.204 1175 S C -0.973 173.678 174.600 0.085 0.000 1.020 1175 S CA 0.504 58.799 58.200 0.157 0.000 0.911 1175 S CB -0.867 62.482 63.200 0.248 0.000 0.698 1175 S HN 0.910 nan 8.310 nan 0.000 0.507 1188 Q N 1.409 121.155 119.800 -0.090 0.000 2.327 1188 Q HA 0.563 4.907 4.340 0.007 0.000 0.254 1188 Q C -0.479 175.493 176.000 -0.046 0.000 0.952 1188 Q CA -0.111 55.645 55.803 -0.079 0.000 0.884 1188 Q CB 1.513 30.177 28.738 -0.125 0.000 1.224 1188 Q HN 0.200 nan 8.270 nan 0.000 0.422 1189 S N 2.300 117.999 115.700 -0.002 0.000 2.565 1189 S HA 0.213 4.688 4.470 0.007 0.000 0.276 1189 S C -1.661 172.914 174.600 -0.042 0.000 1.326 1189 S CA -1.506 56.713 58.200 0.031 0.000 1.045 1189 S CB 0.590 63.876 63.200 0.144 0.000 0.918 1189 S HN 0.473 nan 8.310 nan 0.000 0.505 1190 P HA 0.072 nan 4.420 nan 0.000 0.245 1190 P C -0.647 176.395 177.300 -0.430 0.000 1.212 1190 P CA 0.305 63.157 63.100 -0.413 0.000 0.774 1190 P CB -0.115 31.264 31.700 -0.535 0.000 0.999 1191 W N 1.059 122.391 121.300 0.053 0.000 2.317 1191 W HA 0.406 5.070 4.660 0.007 0.000 0.327 1191 W C 0.272 176.828 176.519 0.061 0.000 1.036 1191 W CA -1.057 56.348 57.345 0.100 0.000 1.419 1191 W CB 0.414 29.942 29.460 0.114 0.000 1.253 1191 W HN -0.136 nan 8.180 nan 0.000 0.392 1192 L N 4.722 126.106 121.223 0.269 0.000 2.397 1192 L HA 0.388 4.732 4.340 0.007 0.000 0.271 1192 L C -0.333 176.637 176.870 0.167 0.000 1.148 1192 L CA -0.409 54.533 54.840 0.171 0.000 0.825 1192 L CB 0.627 42.761 42.059 0.125 0.000 1.117 1192 L HN 0.389 nan 8.230 nan 0.000 0.456 1193 L N 5.238 126.520 121.223 0.099 0.000 2.435 1193 L HA 0.461 4.805 4.340 0.007 0.000 0.253 1193 L C -0.160 176.710 176.870 -0.000 0.000 1.087 1193 L CA -0.183 54.690 54.840 0.056 0.000 0.950 1193 L CB 0.271 42.367 42.059 0.062 0.000 1.304 1193 L HN 0.657 nan 8.230 nan 0.000 0.453 1194 R N 3.259 123.712 120.500 -0.079 0.000 2.442 1194 R HA 0.517 4.862 4.340 0.007 0.000 0.291 1194 R C -1.286 174.952 176.300 -0.104 0.000 1.069 1194 R CA -0.015 56.006 56.100 -0.133 0.000 1.022 1194 R CB 0.450 30.562 30.300 -0.313 0.000 0.976 1194 R HN 0.672 nan 8.270 nan 0.000 0.443 1195 L N 3.238 124.425 121.223 -0.060 0.000 2.386 1195 L HA 0.412 4.757 4.340 0.007 0.000 0.271 1195 L C -0.114 176.733 176.870 -0.037 0.000 0.993 1195 L CA -0.689 54.126 54.840 -0.042 0.000 0.819 1195 L CB 2.018 44.067 42.059 -0.015 0.000 1.294 1195 L HN 0.716 nan 8.230 nan 0.000 0.414 1196 E N 2.936 123.114 120.200 -0.037 0.000 2.254 1196 E HA 0.731 5.086 4.350 0.007 0.000 0.261 1196 E C -1.530 175.058 176.600 -0.019 0.000 1.051 1196 E CA -0.573 55.813 56.400 -0.025 0.000 0.902 1196 E CB 1.618 31.304 29.700 -0.023 0.000 1.168 1196 E HN 0.421 nan 8.360 nan 0.000 0.423 1197 L N 1.300 122.513 121.223 -0.016 0.000 2.393 1197 L HA 0.336 4.681 4.340 0.007 0.000 0.260 1197 L C -0.633 176.227 176.870 -0.015 0.000 1.002 1197 L CA -1.173 53.656 54.840 -0.019 0.000 0.818 1197 L CB 1.926 43.970 42.059 -0.025 0.000 1.369 1197 L HN 0.535 nan 8.230 nan 0.000 0.412 1198 D N 0.790 121.180 120.400 -0.017 0.000 2.308 1198 D HA 0.104 4.748 4.640 0.007 0.000 0.251 1198 D C 0.794 177.087 176.300 -0.013 0.000 1.127 1198 D CA -0.004 53.988 54.000 -0.013 0.000 0.876 1198 D CB 1.732 42.524 40.800 -0.013 0.000 1.176 1198 D HN 0.491 nan 8.370 nan 0.000 0.446 1199 R N 3.098 123.593 120.500 -0.009 0.000 2.115 1199 R HA -0.073 4.272 4.340 0.007 0.000 0.230 1199 R C 1.631 177.926 176.300 -0.009 0.000 1.111 1199 R CA 1.451 57.546 56.100 -0.008 0.000 0.976 1199 R CB 0.001 30.298 30.300 -0.004 0.000 0.870 1199 R HN 0.455 nan 8.270 nan 0.000 0.445 1200 A N 0.435 123.250 122.820 -0.007 0.000 1.968 1200 A HA 0.062 4.386 4.320 0.007 0.000 0.217 1200 A C 2.163 179.744 177.584 -0.006 0.000 1.169 1200 A CA 1.206 53.240 52.037 -0.005 0.000 0.638 1200 A CB -0.430 18.568 19.000 -0.004 0.000 0.812 1200 A HN 0.470 nan 8.150 nan 0.000 0.446 1201 A N -1.202 121.612 122.820 -0.011 0.000 2.206 1201 A HA 0.165 4.489 4.320 0.007 0.000 0.211 1201 A C 1.750 179.323 177.584 -0.017 0.000 1.158 1201 A CA 0.897 52.926 52.037 -0.013 0.000 0.761 1201 A CB -0.345 18.643 19.000 -0.019 0.000 0.801 1201 A HN 0.387 nan 8.150 nan 0.000 0.473 1202 M N 0.070 119.658 119.600 -0.019 0.000 2.558 1202 M HA 0.055 4.539 4.480 0.007 0.000 0.255 1202 M C 0.726 177.013 176.300 -0.020 0.000 1.113 1202 M CA 0.646 55.931 55.300 -0.026 0.000 1.097 1202 M CB -0.965 31.618 32.600 -0.029 0.000 1.426 1202 M HN 0.371 nan 8.290 nan 0.000 0.488 1203 N N 0.045 118.738 118.700 -0.011 0.000 2.499 1203 N HA -0.067 4.678 4.740 0.007 0.000 0.182 1203 N C 1.409 176.921 175.510 0.003 0.000 1.034 1203 N CA 0.575 53.620 53.050 -0.008 0.000 0.882 1203 N CB -0.277 38.207 38.487 -0.005 0.000 1.125 1203 N HN 0.327 nan 8.380 nan 0.000 0.436 1204 D N 1.173 121.586 120.400 0.021 0.000 2.116 1204 D HA -0.109 4.535 4.640 0.007 0.000 0.193 1204 D C -0.122 176.227 176.300 0.081 0.000 0.998 1204 D CA 1.127 55.166 54.000 0.065 0.000 0.836 1204 D CB 0.348 41.184 40.800 0.059 0.000 0.951 1204 D HN 0.231 nan 8.370 nan 0.000 0.449 1205 K N 0.806 121.229 120.400 0.038 0.000 2.156 1205 K HA 0.184 4.508 4.320 0.007 0.000 0.254 1205 K C -0.793 175.799 176.600 -0.015 0.000 0.950 1205 K CA -0.722 55.578 56.287 0.022 0.000 0.849 1205 K CB 1.424 33.926 32.500 0.004 0.000 1.100 1205 K HN -0.147 nan 8.250 nan 0.000 0.434 1206 D N 2.861 123.244 120.400 -0.028 0.000 2.671 1206 D HA 0.114 4.758 4.640 0.007 0.000 0.228 1206 D C -0.574 175.695 176.300 -0.052 0.000 1.102 1206 D CA 0.349 54.323 54.000 -0.044 0.000 1.044 1206 D CB -0.255 40.514 40.800 -0.052 0.000 1.113 1206 D HN 0.166 nan 8.370 nan 0.000 0.480 1207 L N 0.735 121.926 121.223 -0.053 0.000 2.322 1207 L HA 0.345 4.689 4.340 0.007 0.000 0.281 1207 L C 0.334 177.159 176.870 -0.075 0.000 1.014 1207 L CA -0.454 54.344 54.840 -0.070 0.000 0.815 1207 L CB 1.859 43.875 42.059 -0.071 0.000 1.247 1207 L HN -0.049 nan 8.230 nan 0.000 0.421 1208 T N 2.874 117.371 114.554 -0.095 0.000 2.867 1208 T HA 0.243 4.597 4.350 0.007 0.000 0.282 1208 T C 1.223 175.830 174.700 -0.155 0.000 1.000 1208 T CA -0.747 61.290 62.100 -0.105 0.000 1.042 1208 T CB 1.902 70.709 68.868 -0.101 0.000 0.973 1208 T HN 0.453 nan 8.240 nan 0.000 0.465 1209 M N 1.949 121.458 119.600 -0.152 0.000 2.144 1209 M HA -0.083 4.401 4.480 0.007 0.000 0.260 1209 M C 2.495 178.520 176.300 -0.458 0.000 1.067 1209 M CA 1.714 56.879 55.300 -0.226 0.000 1.095 1209 M CB -1.624 30.902 32.600 -0.125 0.000 1.365 1209 M HN 0.930 nan 8.290 nan 0.000 0.406 1210 G N -0.713 107.848 108.800 -0.399 0.000 2.514 1210 G HA2 -0.297 3.667 3.960 0.007 0.000 0.217 1210 G HA3 -0.297 3.667 3.960 0.007 0.000 0.217 1210 G C 1.432 176.045 174.900 -0.478 0.000 1.198 1210 G CA 1.077 45.876 45.100 -0.502 0.000 0.780 1210 G HN 0.540 nan 8.290 nan 0.000 0.565 1211 Q N -0.405 119.219 119.800 -0.293 0.000 2.167 1211 Q HA -0.038 4.306 4.340 0.007 0.000 0.202 1211 Q C 2.760 178.611 176.000 -0.250 0.000 0.970 1211 Q CA 1.029 56.694 55.803 -0.229 0.000 0.855 1211 Q CB -0.115 28.530 28.738 -0.154 0.000 0.911 1211 Q HN 0.323 nan 8.270 nan 0.000 0.438 1212 V N -0.074 119.678 119.914 -0.269 0.000 2.252 1212 V HA -0.278 3.847 4.120 0.007 0.000 0.249 1212 V C 2.158 178.072 176.094 -0.300 0.000 1.056 1212 V CA 2.153 64.306 62.300 -0.246 0.000 1.022 1212 V CB -1.032 30.661 31.823 -0.216 0.000 0.641 1212 V HN 0.644 nan 8.190 nan 0.000 0.445 1213 G N -1.431 107.056 108.800 -0.522 0.000 2.430 1213 G HA2 -0.136 3.829 3.960 0.007 0.000 0.216 1213 G HA3 -0.136 3.829 3.960 0.007 0.000 0.216 1213 G C 1.492 176.121 174.900 -0.452 0.000 1.146 1213 G CA 0.335 45.074 45.100 -0.603 0.000 0.793 1213 G HN 0.469 nan 8.290 nan 0.000 0.537 1214 E N 0.288 120.212 120.200 -0.460 0.000 2.158 1214 E HA -0.018 4.336 4.350 0.007 0.000 0.191 1214 E C 2.611 179.133 176.600 -0.130 0.000 0.982 1214 E CA 0.284 56.543 56.400 -0.235 0.000 0.823 1214 E CB -0.050 29.529 29.700 -0.202 0.000 0.766 1214 E HN 0.158 nan 8.360 nan 0.000 0.468 1215 R N 1.282 121.691 120.500 -0.151 0.000 2.083 1215 R HA -0.088 4.257 4.340 0.007 0.000 0.237 1215 R C 2.275 178.518 176.300 -0.095 0.000 1.137 1215 R CA 1.192 57.222 56.100 -0.116 0.000 0.951 1215 R CB -0.708 29.514 30.300 -0.131 0.000 0.851 1215 R HN 0.164 nan 8.270 nan 0.000 0.434 1216 I N 0.131 120.649 120.570 -0.086 0.000 2.286 1216 I HA -0.265 3.909 4.170 0.007 0.000 0.248 1216 I C 2.271 178.429 176.117 0.069 0.000 1.115 1216 I CA 1.349 62.635 61.300 -0.024 0.000 1.392 1216 I CB -0.296 37.715 38.000 0.019 0.000 1.065 1216 I HN 0.143 nan 8.210 nan 0.000 0.418 1217 K N 0.777 121.211 120.400 0.057 0.000 2.148 1217 K HA -0.208 4.117 4.320 0.007 0.000 0.204 1217 K C 1.978 178.636 176.600 0.096 0.000 1.050 1217 K CA 1.464 57.810 56.287 0.100 0.000 0.942 1217 K CB -0.037 32.516 32.500 0.088 0.000 0.724 1217 K HN 0.508 nan 8.250 nan 0.000 0.446 1218 Q N -0.320 119.504 119.800 0.039 0.000 2.360 1218 Q HA 0.008 4.352 4.340 0.007 0.000 0.202 1218 Q C 0.630 176.633 176.000 0.005 0.000 0.915 1218 Q CA 0.765 56.586 55.803 0.028 0.000 0.943 1218 Q CB 0.326 29.064 28.738 -0.000 0.000 1.064 1218 Q HN 0.054 nan 8.270 nan 0.000 0.511 1219 T N -3.515 111.022 114.554 -0.028 0.000 3.188 1219 T HA 0.250 4.604 4.350 0.007 0.000 0.250 1219 T C 0.253 174.834 174.700 -0.197 0.000 1.077 1219 T CA -0.195 61.785 62.100 -0.200 0.000 0.967 1219 T CB 0.049 68.671 68.868 -0.410 0.000 1.006 1219 T HN 0.293 nan 8.240 nan 0.000 0.552 1220 F N 0.297 120.257 119.950 0.016 0.000 1.713 1220 F HA 0.274 4.805 4.527 0.007 0.000 0.255 1220 F C 1.070 176.890 175.800 0.034 0.000 1.240 1220 F CA 0.131 58.146 58.000 0.025 0.000 1.298 1220 F CB -0.223 38.793 39.000 0.027 0.000 1.971 1220 F HN 0.062 nan 8.300 nan 0.000 0.169 1221 K N -0.422 120.130 120.400 0.253 0.000 9.086 1221 K HA -0.213 4.112 4.320 0.007 0.000 0.349 1221 K C -0.205 176.468 176.600 0.122 0.000 1.291 1221 K CA 1.192 57.568 56.287 0.148 0.000 1.385 1221 K CB -1.300 31.273 32.500 0.122 0.000 0.542 1221 K HN 0.226 nan 8.250 nan 0.000 0.795 1222 N N 1.565 120.325 118.700 0.101 0.000 2.599 1222 N HA 0.128 4.872 4.740 0.007 0.000 0.309 1222 N C -1.287 174.259 175.510 0.060 0.000 1.743 1222 N CA 0.236 53.337 53.050 0.085 0.000 0.918 1222 N CB 0.691 39.221 38.487 0.073 0.000 1.339 1222 N HN 0.353 nan 8.380 nan 0.000 0.493 1223 D N -0.069 120.356 120.400 0.040 0.000 2.881 1223 D HA 0.100 4.744 4.640 0.007 0.000 0.325 1223 D C -0.632 175.648 176.300 -0.033 0.000 1.621 1223 D CA -0.210 53.788 54.000 -0.003 0.000 0.785 1223 D CB 0.053 40.826 40.800 -0.045 0.000 1.233 1223 D HN 0.044 nan 8.370 nan 0.000 0.447 1224 L N 0.791 122.036 121.223 0.037 0.000 2.639 1224 L HA 0.479 4.823 4.340 0.007 0.000 0.264 1224 L C -2.099 174.868 176.870 0.162 0.000 0.948 1224 L CA -0.621 54.252 54.840 0.055 0.000 0.912 1224 L CB 2.304 44.342 42.059 -0.035 0.000 1.294 1224 L HN -0.052 nan 8.230 nan 0.000 0.412 1225 F N 5.275 125.241 119.950 0.027 0.000 2.404 1225 F HA 0.793 5.324 4.527 0.007 0.000 0.339 1225 F C -0.578 175.246 175.800 0.041 0.000 1.105 1225 F CA -0.249 57.771 58.000 0.034 0.000 1.087 1225 F CB 1.336 40.340 39.000 0.007 0.000 1.143 1225 F HN 0.184 nan 8.300 nan 0.000 0.491 1226 V N 6.781 126.442 119.914 -0.422 0.000 2.709 1226 V HA 0.547 4.671 4.120 0.007 0.000 0.308 1226 V C -0.344 175.502 176.094 -0.414 0.000 1.062 1226 V CA -0.845 61.347 62.300 -0.180 0.000 0.901 1226 V CB 1.815 33.685 31.823 0.078 0.000 1.003 1226 V HN 0.591 nan 8.190 nan 0.000 0.425 1227 I N 2.643 123.060 120.570 -0.255 0.000 2.892 1227 I HA 0.832 5.006 4.170 0.007 0.000 0.306 1227 I C -0.936 175.077 176.117 -0.172 0.000 1.078 1227 I CA -0.517 60.469 61.300 -0.523 0.000 1.032 1227 I CB 2.227 40.010 38.000 -0.362 0.000 1.229 1227 I HN 0.855 nan 8.210 nan 0.000 0.435 1228 W N 1.629 122.809 121.300 -0.200 0.000 3.042 1228 W HA 0.784 5.448 4.660 0.007 0.000 0.342 1228 W C -0.588 175.861 176.519 -0.117 0.000 1.240 1228 W CA -0.654 56.608 57.345 -0.139 0.000 1.166 1228 W CB -0.024 29.355 29.460 -0.135 0.000 1.469 1228 W HN 0.401 nan 8.180 nan 0.000 0.579 1229 S N 0.043 115.863 115.700 0.199 0.000 2.282 1229 S HA 0.375 4.849 4.470 0.007 0.000 0.184 1229 S C 0.135 174.844 174.600 0.183 0.000 1.310 1229 S CA 0.294 58.559 58.200 0.108 0.000 1.682 1229 S CB 0.224 63.465 63.200 0.069 0.000 0.641 1229 S HN 0.717 nan 8.310 nan 0.000 0.404 1230 E N -0.376 119.895 120.200 0.120 0.000 4.069 1230 E HA 0.219 4.573 4.350 0.007 0.000 0.186 1230 E C -1.030 175.605 176.600 0.059 0.000 1.219 1230 E CA -0.087 56.379 56.400 0.109 0.000 0.751 1230 E CB 0.643 30.391 29.700 0.081 0.000 2.924 1230 E HN 0.686 nan 8.360 nan 0.000 0.552 1231 D N -0.434 119.990 120.400 0.040 0.000 3.435 1231 D HA -0.035 4.609 4.640 0.007 0.000 0.352 1231 D C -0.885 175.427 176.300 0.020 0.000 1.460 1231 D CA -0.469 53.545 54.000 0.024 0.000 0.935 1231 D CB -0.248 40.559 40.800 0.011 0.000 1.468 1231 D HN 0.174 nan 8.370 nan 0.000 0.573 1232 N N 1.664 120.372 118.700 0.013 0.000 3.062 1232 N HA -0.147 4.597 4.740 0.007 0.000 0.290 1232 N C -0.566 174.953 175.510 0.015 0.000 1.102 1232 N CA 1.157 54.215 53.050 0.012 0.000 0.888 1232 N CB -1.119 37.373 38.487 0.009 0.000 0.889 1232 N HN 0.232 nan 8.380 nan 0.000 0.623 1233 D N 0.194 120.605 120.400 0.018 0.000 6.956 1233 D HA -0.230 4.415 4.640 0.007 0.000 0.144 1233 D C 0.843 177.150 176.300 0.012 0.000 1.168 1233 D CA 0.417 54.426 54.000 0.016 0.000 0.780 1233 D CB 0.480 41.290 40.800 0.018 0.000 1.512 1233 D HN 0.500 nan 8.370 nan 0.000 0.872 1234 E N 1.471 121.678 120.200 0.011 0.000 2.236 1234 E HA -0.235 4.120 4.350 0.007 0.000 0.205 1234 E C 0.299 176.905 176.600 0.009 0.000 1.028 1234 E CA 1.756 58.161 56.400 0.010 0.000 0.827 1234 E CB 0.174 29.880 29.700 0.010 0.000 0.735 1234 E HN 0.572 nan 8.360 nan 0.000 0.470 1235 K N -1.440 118.966 120.400 0.011 0.000 2.642 1235 K HA 0.548 4.873 4.320 0.007 0.000 0.290 1235 K C -1.431 175.177 176.600 0.013 0.000 1.006 1235 K CA -0.899 55.394 56.287 0.010 0.000 0.869 1235 K CB 1.455 33.962 32.500 0.011 0.000 1.499 1235 K HN -0.009 nan 8.250 nan 0.000 0.403 1236 L N 0.525 121.755 121.223 0.011 0.000 2.700 1236 L HA 0.615 4.959 4.340 0.007 0.000 0.255 1236 L C -2.158 174.721 176.870 0.015 0.000 0.933 1236 L CA -0.302 54.549 54.840 0.018 0.000 0.920 1236 L CB 1.705 43.775 42.059 0.018 0.000 1.472 1236 L HN 0.781 nan 8.230 nan 0.000 0.426 1237 I N 4.676 125.264 120.570 0.029 0.000 2.785 1237 I HA 0.533 4.708 4.170 0.007 0.000 0.293 1237 I C -1.295 174.852 176.117 0.051 0.000 1.446 1237 I CA -0.474 60.837 61.300 0.018 0.000 1.028 1237 I CB 2.161 40.160 38.000 -0.001 0.000 1.349 1237 I HN 0.289 nan 8.210 nan 0.000 0.438 1238 I N 3.696 124.289 120.570 0.038 0.000 2.603 1238 I HA 0.602 4.776 4.170 0.007 0.000 0.300 1238 I C -0.214 175.924 176.117 0.034 0.000 1.017 1238 I CA -0.757 60.586 61.300 0.071 0.000 1.098 1238 I CB 1.844 39.884 38.000 0.067 0.000 1.279 1238 I HN 0.558 nan 8.210 nan 0.000 0.437 1239 R N 2.819 123.344 120.500 0.041 0.000 2.744 1239 R HA 0.771 5.115 4.340 0.007 0.000 0.279 1239 R C -1.649 174.684 176.300 0.054 0.000 0.977 1239 R CA -0.432 55.684 56.100 0.027 0.000 0.906 1239 R CB 2.254 32.559 30.300 0.007 0.000 1.197 1239 R HN 0.657 nan 8.270 nan 0.000 0.463 1240 C N 2.048 121.389 119.300 0.069 0.000 2.727 1240 C HA 0.422 4.887 4.460 0.007 0.000 0.369 1240 C C -0.582 174.472 174.990 0.106 0.000 1.067 1240 C CA -0.960 58.114 59.018 0.093 0.000 1.273 1240 C CB 1.186 28.978 27.740 0.087 0.000 1.778 1240 C HN 0.780 nan 8.230 nan 0.000 0.467 1241 R N 2.062 122.641 120.500 0.132 0.000 2.437 1241 R HA 0.635 4.979 4.340 0.007 0.000 0.310 1241 R C -0.458 175.904 176.300 0.104 0.000 0.955 1241 R CA -0.555 55.617 56.100 0.119 0.000 0.851 1241 R CB 1.710 32.067 30.300 0.096 0.000 1.161 1241 R HN 0.574 nan 8.270 nan 0.000 0.446 1242 V N 3.711 123.677 119.914 0.088 0.000 2.928 1242 V HA -0.054 4.070 4.120 0.007 0.000 0.307 1242 V C 1.009 177.131 176.094 0.047 0.000 1.105 1242 V CA 0.388 62.718 62.300 0.050 0.000 1.223 1242 V CB 0.531 32.390 31.823 0.060 0.000 0.930 1242 V HN 0.543 nan 8.190 nan 0.000 0.499 1243 V N 4.041 123.971 119.914 0.028 0.000 6.654 1243 V HA 0.760 4.884 4.120 0.007 0.000 0.271 1243 V C -0.217 175.886 176.094 0.014 0.000 1.660 1243 V CA -0.623 61.691 62.300 0.024 0.000 0.586 1243 V CB 1.287 33.134 31.823 0.039 0.000 1.532 1243 V HN 1.030 nan 8.190 nan 0.000 0.371 1255 E N 0.426 120.650 120.200 0.040 0.000 2.689 1255 E HA -0.176 4.178 4.350 0.007 0.000 0.165 1255 E C 0.149 176.758 176.600 0.015 0.000 1.609 1255 E CA 1.111 57.516 56.400 0.009 0.000 0.674 1255 E CB -0.607 29.069 29.700 -0.041 0.000 1.103 1255 E HN 0.771 nan 8.360 nan 0.000 0.373 1256 E N 0.842 121.061 120.200 0.033 0.000 2.490 1256 E HA -0.026 4.328 4.350 0.007 0.000 0.209 1256 E C 0.914 177.368 176.600 -0.244 0.000 0.971 1256 E CA -0.137 56.263 56.400 0.000 0.000 0.988 1256 E CB 0.420 30.227 29.700 0.179 0.000 1.029 1256 E HN 0.325 nan 8.360 nan 0.000 0.496 1257 D N 0.114 120.293 120.400 -0.369 0.000 2.263 1257 D HA -0.138 4.506 4.640 0.007 0.000 0.208 1257 D C 1.128 177.267 176.300 -0.269 0.000 0.971 1257 D CA 0.948 54.588 54.000 -0.600 0.000 0.867 1257 D CB 0.214 40.706 40.800 -0.514 0.000 0.929 1257 D HN 0.320 nan 8.370 nan 0.000 0.492 1258 H N -0.397 118.538 119.070 -0.226 0.000 2.399 1258 H HA 0.143 4.703 4.556 0.007 0.000 0.300 1258 H C 1.891 177.156 175.328 -0.105 0.000 1.048 1258 H CA 0.730 56.696 56.048 -0.137 0.000 1.370 1258 H CB -0.040 29.668 29.762 -0.090 0.000 1.428 1258 H HN 0.008 nan 8.280 nan 0.000 0.534 1259 M N -0.279 119.330 119.600 0.016 0.000 2.213 1259 M HA -0.120 4.364 4.480 0.007 0.000 0.263 1259 M C 1.420 177.700 176.300 -0.033 0.000 1.062 1259 M CA 1.203 56.501 55.300 -0.002 0.000 1.105 1259 M CB 0.067 32.668 32.600 0.001 0.000 1.385 1259 M HN 0.261 nan 8.290 nan 0.000 0.417 1260 L N 0.020 121.204 121.223 -0.065 0.000 2.465 1260 L HA -0.063 4.281 4.340 0.007 0.000 0.224 1260 L C 1.685 178.522 176.870 -0.055 0.000 1.145 1260 L CA 1.589 56.399 54.840 -0.049 0.000 0.834 1260 L CB -0.305 41.726 42.059 -0.046 0.000 0.944 1260 L HN 0.214 nan 8.230 nan 0.000 0.451 1261 K N -1.444 118.899 120.400 -0.095 0.000 2.334 1261 K HA 0.065 4.389 4.320 0.007 0.000 0.195 1261 K C 1.718 178.278 176.600 -0.066 0.000 1.045 1261 K CA 0.157 56.382 56.287 -0.104 0.000 1.004 1261 K CB 0.334 32.714 32.500 -0.201 0.000 0.837 1261 K HN 0.171 nan 8.250 nan 0.000 0.510 1262 K N 0.350 120.724 120.400 -0.043 0.000 2.365 1262 K HA 0.040 4.364 4.320 0.007 0.000 0.197 1262 K C 1.354 177.973 176.600 0.032 0.000 1.042 1262 K CA 0.545 56.831 56.287 -0.001 0.000 0.987 1262 K CB 0.232 32.742 32.500 0.016 0.000 0.779 1262 K HN -0.032 nan 8.250 nan 0.000 0.484 1263 I N 1.020 121.608 120.570 0.031 0.000 3.226 1263 I HA -0.078 4.097 4.170 0.007 0.000 0.277 1263 I C 0.949 177.133 176.117 0.112 0.000 1.243 1263 I CA 0.796 62.147 61.300 0.086 0.000 1.459 1263 I CB 0.335 38.344 38.000 0.015 0.000 1.093 1263 I HN -0.004 nan 8.210 nan 0.000 0.453 1264 E N 2.427 122.658 120.200 0.052 0.000 2.597 1264 E HA 0.138 4.492 4.350 0.007 0.000 0.235 1264 E C -0.921 175.686 176.600 0.013 0.000 1.155 1264 E CA -0.075 56.347 56.400 0.038 0.000 1.199 1264 E CB -0.325 29.388 29.700 0.022 0.000 1.409 1264 E HN 0.374 nan 8.360 nan 0.000 0.453 1265 N N 1.685 120.399 118.700 0.023 0.000 2.813 1265 N HA 0.139 4.883 4.740 0.007 0.000 0.282 1265 N C -0.110 175.432 175.510 0.053 0.000 1.748 1265 N CA -0.389 52.679 53.050 0.029 0.000 0.860 1265 N CB 1.355 39.851 38.487 0.015 0.000 1.204 1265 N HN -0.012 nan 8.380 nan 0.000 0.490 1266 T N -0.812 113.794 114.554 0.087 0.000 3.009 1266 T HA 0.240 4.594 4.350 0.007 0.000 0.267 1266 T C 1.457 176.187 174.700 0.050 0.000 0.942 1266 T CA -0.063 62.092 62.100 0.092 0.000 0.883 1266 T CB 0.488 69.481 68.868 0.208 0.000 1.192 1266 T HN 0.131 nan 8.240 nan 0.000 0.524 1267 M N 0.664 120.309 119.600 0.075 0.000 2.476 1267 M HA 0.329 4.814 4.480 0.007 0.000 0.262 1267 M C 1.359 177.657 176.300 -0.002 0.000 1.111 1267 M CA 0.985 56.315 55.300 0.051 0.000 1.127 1267 M CB -0.176 32.483 32.600 0.098 0.000 1.376 1267 M HN 0.265 nan 8.290 nan 0.000 0.465 1268 L N -1.142 120.082 121.223 0.000 0.000 2.541 1268 L HA 0.075 4.419 4.340 0.007 0.000 0.187 1268 L C 0.551 177.414 176.870 -0.012 0.000 1.098 1268 L CA 0.308 55.141 54.840 -0.010 0.000 0.846 1268 L CB -0.054 42.003 42.059 -0.003 0.000 1.151 1268 L HN -0.010 nan 8.230 nan 0.000 0.492 1269 E N 0.980 121.179 120.200 -0.001 0.000 2.354 1269 E HA 0.145 4.499 4.350 0.007 0.000 0.252 1269 E C 0.054 176.657 176.600 0.005 0.000 1.330 1269 E CA 0.059 56.464 56.400 0.008 0.000 1.658 1269 E CB -0.021 29.685 29.700 0.010 0.000 1.460 1269 E HN 0.226 nan 8.360 nan 0.000 0.435 1270 N N -0.465 118.227 118.700 -0.013 0.000 1.863 1270 N HA 0.032 4.776 4.740 0.007 0.000 0.241 1270 N C -0.553 174.923 175.510 -0.057 0.000 1.395 1270 N CA -0.056 52.979 53.050 -0.025 0.000 0.765 1270 N CB 0.911 39.375 38.487 -0.038 0.000 1.120 1270 N HN 0.102 nan 8.380 nan 0.000 0.510 1271 I N 3.026 123.548 120.570 -0.080 0.000 2.278 1271 I HA 0.137 4.311 4.170 0.007 0.000 0.296 1271 I C 0.256 176.304 176.117 -0.115 0.000 1.121 1271 I CA 0.430 61.657 61.300 -0.121 0.000 1.267 1271 I CB -0.317 37.604 38.000 -0.131 0.000 1.447 1271 I HN -0.184 nan 8.210 nan 0.000 0.509 1272 T N 7.566 122.060 114.554 -0.100 0.000 2.851 1272 T HA 0.236 4.590 4.350 0.007 0.000 0.298 1272 T C 1.280 175.895 174.700 -0.141 0.000 0.977 1272 T CA -0.135 61.892 62.100 -0.122 0.000 1.126 1272 T CB 1.536 70.384 68.868 -0.034 0.000 0.916 1272 T HN 0.313 nan 8.240 nan 0.000 0.529 1273 L N 2.453 123.569 121.223 -0.180 0.000 2.609 1273 L HA 0.453 4.797 4.340 0.007 0.000 0.230 1273 L C 1.037 177.833 176.870 -0.124 0.000 1.087 1273 L CA 0.586 55.338 54.840 -0.147 0.000 0.874 1273 L CB 0.189 42.158 42.059 -0.150 0.000 1.114 1273 L HN 0.488 nan 8.230 nan 0.000 0.488 1274 R N -2.106 118.315 120.500 -0.131 0.000 2.765 1274 R HA 0.475 4.819 4.340 0.007 0.000 0.277 1274 R C -0.395 175.877 176.300 -0.047 0.000 1.028 1274 R CA -0.055 55.996 56.100 -0.082 0.000 0.860 1274 R CB 0.846 31.101 30.300 -0.076 0.000 1.270 1274 R HN 0.050 nan 8.270 nan 0.000 0.484 1275 G N 0.531 109.327 108.800 -0.006 0.000 2.601 1275 G HA2 -0.231 3.733 3.960 0.007 0.000 0.252 1275 G HA3 -0.231 3.733 3.960 0.007 0.000 0.252 1275 G C -1.220 173.733 174.900 0.088 0.000 1.294 1275 G CA -0.223 44.900 45.100 0.038 0.000 0.912 1275 G HN 0.564 nan 8.290 nan 0.000 0.574 1276 V N 1.416 121.398 119.914 0.112 0.000 2.628 1276 V HA 0.548 4.672 4.120 0.007 0.000 0.306 1276 V C 0.728 176.847 176.094 0.043 0.000 1.045 1276 V CA -0.016 62.333 62.300 0.081 0.000 0.905 1276 V CB 1.570 33.404 31.823 0.017 0.000 0.997 1276 V HN 1.117 nan 8.190 nan 0.000 0.436 1277 E N 3.927 124.086 120.200 -0.068 0.000 2.422 1277 E HA 0.126 4.480 4.350 0.007 0.000 0.260 1277 E C 0.210 176.642 176.600 -0.279 0.000 1.108 1277 E CA -0.004 56.169 56.400 -0.377 0.000 0.943 1277 E CB 0.229 29.807 29.700 -0.204 0.000 0.961 1277 E HN 0.665 nan 8.360 nan 0.000 0.443 1278 N N -0.976 117.523 118.700 -0.335 0.000 2.825 1278 N HA -0.192 4.552 4.740 0.007 0.000 0.206 1278 N C -0.277 175.143 175.510 -0.149 0.000 1.057 1278 N CA 1.419 54.354 53.050 -0.190 0.000 1.343 1278 N CB -1.314 37.101 38.487 -0.121 0.000 0.942 1278 N HN 0.464 nan 8.380 nan 0.000 0.562 1279 I N 2.322 122.810 120.570 -0.137 0.000 2.575 1279 I HA 0.068 4.242 4.170 0.007 0.000 0.285 1279 I C 1.304 177.409 176.117 -0.020 0.000 1.085 1279 I CA 0.796 62.065 61.300 -0.051 0.000 1.403 1279 I CB 0.877 38.873 38.000 -0.005 0.000 1.409 1279 I HN 0.119 nan 8.210 nan 0.000 0.557 1280 E N 3.305 123.507 120.200 0.002 0.000 3.419 1280 E HA 0.361 4.715 4.350 0.007 0.000 0.273 1280 E C -0.089 176.523 176.600 0.020 0.000 0.962 1280 E CA -0.584 55.828 56.400 0.019 0.000 1.015 1280 E CB -0.085 29.614 29.700 -0.002 0.000 2.979 1280 E HN 0.427 nan 8.360 nan 0.000 0.568 1281 R N 1.378 121.878 120.500 0.000 0.000 2.491 1281 R HA 0.360 4.704 4.340 0.007 0.000 0.283 1281 R C -1.185 175.133 176.300 0.030 0.000 1.072 1281 R CA -0.047 56.046 56.100 -0.011 0.000 1.048 1281 R CB 0.687 30.969 30.300 -0.029 0.000 0.983 1281 R HN 0.176 nan 8.270 nan 0.000 0.450 1282 V N 6.267 126.224 119.914 0.073 0.000 2.482 1282 V HA 0.393 4.517 4.120 0.007 0.000 0.295 1282 V C -1.162 175.023 176.094 0.151 0.000 1.026 1282 V CA -0.583 61.776 62.300 0.098 0.000 0.856 1282 V CB 1.885 33.758 31.823 0.083 0.000 1.001 1282 V HN 0.609 nan 8.190 nan 0.000 0.424 1283 V N 7.340 127.321 119.914 0.112 0.000 2.547 1283 V HA 0.547 4.672 4.120 0.007 0.000 0.299 1283 V C 0.343 176.497 176.094 0.099 0.000 1.040 1283 V CA -0.692 61.677 62.300 0.115 0.000 0.913 1283 V CB 1.852 33.727 31.823 0.087 0.000 0.992 1283 V HN 0.853 nan 8.190 nan 0.000 0.449 1284 M N 4.225 123.879 119.600 0.089 0.000 2.249 1284 M HA 0.605 5.089 4.480 0.007 0.000 0.351 1284 M C -0.612 175.804 176.300 0.194 0.000 1.180 1284 M CA -0.084 55.299 55.300 0.137 0.000 1.127 1284 M CB 1.380 34.005 32.600 0.042 0.000 1.546 1284 M HN 0.640 nan 8.290 nan 0.000 0.461 1285 M N 2.398 122.151 119.600 0.254 0.000 2.371 1285 M HA 0.285 4.770 4.480 0.007 0.000 0.287 1285 M C -1.158 175.142 176.300 -0.001 0.000 1.149 1285 M CA -0.330 54.991 55.300 0.035 0.000 0.929 1285 M CB 2.209 34.644 32.600 -0.275 0.000 1.683 1285 M HN 0.461 nan 8.290 nan 0.000 0.470 1286 K N 3.478 123.749 120.400 -0.215 0.000 2.180 1286 K HA 0.277 4.601 4.320 0.007 0.000 0.250 1286 K C -1.404 175.045 176.600 -0.252 0.000 1.135 1286 K CA -0.151 55.882 56.287 -0.422 0.000 1.037 1286 K CB 0.052 32.191 32.500 -0.602 0.000 1.624 1286 K HN 0.627 nan 8.250 nan 0.000 0.382 1287 Y N 0.950 121.210 120.300 -0.067 0.000 2.550 1287 Y HA -0.059 4.496 4.550 0.007 0.000 0.343 1287 Y C 0.916 176.790 175.900 -0.043 0.000 1.245 1287 Y CA 0.253 58.352 58.100 -0.002 0.000 1.462 1287 Y CB 0.485 39.010 38.460 0.109 0.000 1.340 1287 Y HN 0.410 nan 8.280 nan 0.000 0.604 1288 D N 2.383 122.873 120.400 0.150 0.000 2.193 1288 D HA 0.321 4.965 4.640 0.007 0.000 0.244 1288 D C -0.492 175.847 176.300 0.065 0.000 1.064 1288 D CA -0.414 53.623 54.000 0.060 0.000 0.845 1288 D CB 1.450 42.264 40.800 0.023 0.000 1.148 1288 D HN 0.425 nan 8.370 nan 0.000 0.464 1289 R N 1.594 122.110 120.500 0.028 0.000 2.740 1289 R HA 0.350 4.694 4.340 0.007 0.000 0.282 1289 R C -0.648 175.654 176.300 0.003 0.000 0.969 1289 R CA -0.755 55.348 56.100 0.005 0.000 0.918 1289 R CB 1.802 32.096 30.300 -0.010 0.000 1.175 1289 R HN 0.177 nan 8.270 nan 0.000 0.464 1290 K N 2.625 123.015 120.400 -0.016 0.000 2.293 1290 K HA 0.415 4.739 4.320 0.007 0.000 0.267 1290 K C -1.458 175.199 176.600 0.095 0.000 1.010 1290 K CA -0.483 55.801 56.287 -0.005 0.000 0.875 1290 K CB 1.593 34.008 32.500 -0.141 0.000 1.106 1290 K HN 0.236 nan 8.250 nan 0.000 0.450 1291 V N 5.631 125.686 119.914 0.235 0.000 2.841 1291 V HA 0.333 4.458 4.120 0.007 0.000 0.310 1291 V C -2.470 173.739 176.094 0.193 0.000 1.090 1291 V CA -2.248 60.206 62.300 0.256 0.000 0.930 1291 V CB 2.213 34.087 31.823 0.086 0.000 1.014 1291 V HN 0.702 nan 8.190 nan 0.000 0.425 1292 P HA 0.123 nan 4.420 nan 0.000 0.267 1292 P C -0.376 176.838 177.300 -0.144 0.000 1.209 1292 P CA 0.389 63.300 63.100 -0.314 0.000 0.763 1292 P CB 0.595 32.085 31.700 -0.350 0.000 0.816 1293 S N 4.894 120.516 115.700 -0.131 0.000 2.584 1293 S HA 0.250 4.724 4.470 0.007 0.000 0.273 1293 S C -1.124 173.423 174.600 -0.088 0.000 1.311 1293 S CA -1.566 56.587 58.200 -0.078 0.000 1.034 1293 S CB -0.088 63.082 63.200 -0.049 0.000 0.939 1293 S HN 0.277 nan 8.310 nan 0.000 0.513 1294 P HA -0.096 nan 4.420 nan 0.000 0.221 1294 P C 0.991 178.262 177.300 -0.048 0.000 1.141 1294 P CA 1.275 64.343 63.100 -0.053 0.000 0.794 1294 P CB -0.425 31.254 31.700 -0.035 0.000 0.764 1295 T N -2.595 111.932 114.554 -0.045 0.000 3.023 1295 T HA 0.208 4.563 4.350 0.007 0.000 0.266 1295 T C 1.656 176.330 174.700 -0.043 0.000 1.093 1295 T CA 1.346 63.427 62.100 -0.031 0.000 1.129 1295 T CB -0.123 68.734 68.868 -0.018 0.000 0.899 1295 T HN 0.335 nan 8.240 nan 0.000 0.491 1296 G N 1.009 109.757 108.800 -0.086 0.000 2.909 1296 G HA2 -0.144 3.821 3.960 0.007 0.000 0.198 1296 G HA3 -0.144 3.821 3.960 0.007 0.000 0.198 1296 G C -0.157 174.629 174.900 -0.190 0.000 1.124 1296 G CA -0.471 44.553 45.100 -0.126 0.000 0.796 1296 G HN 0.496 nan 8.290 nan 0.000 0.489 1297 E N 0.304 120.435 120.200 -0.115 0.000 2.442 1297 E HA 0.449 4.803 4.350 0.007 0.000 0.260 1297 E C -0.621 175.873 176.600 -0.178 0.000 1.148 1297 E CA 0.034 56.382 56.400 -0.087 0.000 0.976 1297 E CB 0.280 29.978 29.700 -0.003 0.000 0.967 1297 E HN 0.426 nan 8.360 nan 0.000 0.454 1298 Y N 0.018 120.313 120.300 -0.009 0.000 2.350 1298 Y HA 0.294 4.849 4.550 0.007 0.000 0.340 1298 Y C 0.017 175.911 175.900 -0.011 0.000 1.006 1298 Y CA -0.664 57.429 58.100 -0.012 0.000 1.166 1298 Y CB 0.663 39.117 38.460 -0.010 0.000 1.168 1298 Y HN 0.147 nan 8.280 nan 0.000 0.502 1299 V N 3.105 123.090 119.914 0.119 0.000 2.966 1299 V HA 0.325 4.449 4.120 0.007 0.000 0.317 1299 V C -0.132 176.005 176.094 0.071 0.000 1.070 1299 V CA -1.700 60.643 62.300 0.071 0.000 1.008 1299 V CB 1.526 33.368 31.823 0.031 0.000 1.070 1299 V HN 0.551 nan 8.190 nan 0.000 0.457 1300 K N 2.297 122.719 120.400 0.038 0.000 2.292 1300 K HA 0.254 4.578 4.320 0.007 0.000 0.290 1300 K C -0.230 176.376 176.600 0.010 0.000 1.083 1300 K CA 0.075 56.375 56.287 0.021 0.000 0.918 1300 K CB 0.468 32.971 32.500 0.005 0.000 1.089 1300 K HN 0.684 nan 8.250 nan 0.000 0.473 1301 E N 5.815 126.023 120.200 0.013 0.000 2.092 1301 E HA 0.225 4.580 4.350 0.007 0.000 0.271 1301 E C -2.383 174.209 176.600 -0.014 0.000 0.919 1301 E CA -2.299 54.102 56.400 0.001 0.000 0.760 1301 E CB 1.033 30.740 29.700 0.011 0.000 1.106 1301 E HN 0.245 nan 8.360 nan 0.000 0.408 1302 P HA 0.119 nan 4.420 nan 0.000 0.285 1302 P C -1.122 176.115 177.300 -0.105 0.000 1.259 1302 P CA -0.204 62.844 63.100 -0.087 0.000 0.794 1302 P CB 1.095 32.705 31.700 -0.151 0.000 0.940 1303 E N 1.901 122.061 120.200 -0.066 0.000 2.264 1303 E HA 0.442 4.796 4.350 0.007 0.000 0.260 1303 E C -1.215 175.350 176.600 -0.058 0.000 0.961 1303 E CA -1.005 55.395 56.400 0.000 0.000 0.834 1303 E CB 1.089 30.861 29.700 0.120 0.000 1.230 1303 E HN 0.330 nan 8.360 nan 0.000 0.412 1304 W N 0.987 122.390 121.300 0.172 0.000 2.349 1304 W HA 0.461 5.125 4.660 0.007 0.000 0.309 1304 W C -1.088 175.565 176.519 0.224 0.000 1.083 1304 W CA -0.560 56.886 57.345 0.167 0.000 1.224 1304 W CB 1.781 31.304 29.460 0.106 0.000 1.256 1304 W HN 0.207 nan 8.180 nan 0.000 0.461 1305 V N 5.465 125.739 119.914 0.600 0.000 2.656 1305 V HA 0.447 4.572 4.120 0.007 0.000 0.307 1305 V C -0.218 176.110 176.094 0.391 0.000 1.051 1305 V CA -1.157 61.430 62.300 0.478 0.000 0.893 1305 V CB 1.613 33.761 31.823 0.542 0.000 0.999 1305 V HN 0.317 nan 8.190 nan 0.000 0.426 1306 L N 3.784 125.121 121.223 0.189 0.000 2.295 1306 L HA 0.619 4.964 4.340 0.007 0.000 0.285 1306 L C -0.017 176.911 176.870 0.097 0.000 1.035 1306 L CA -0.333 54.584 54.840 0.130 0.000 0.806 1306 L CB 1.425 43.523 42.059 0.065 0.000 1.214 1306 L HN 0.645 nan 8.230 nan 0.000 0.426 1307 E N 2.058 122.325 120.200 0.113 0.000 2.199 1307 E HA 0.451 4.805 4.350 0.007 0.000 0.265 1307 E C -1.083 175.555 176.600 0.063 0.000 0.882 1307 E CA -0.586 55.871 56.400 0.094 0.000 0.759 1307 E CB 2.379 32.156 29.700 0.129 0.000 1.148 1307 E HN 0.503 nan 8.360 nan 0.000 0.412 1308 T N 1.160 115.738 114.554 0.040 0.000 2.940 1308 T HA 0.220 4.574 4.350 0.007 0.000 0.288 1308 T C 0.006 174.717 174.700 0.018 0.000 1.033 1308 T CA -0.733 61.383 62.100 0.026 0.000 1.033 1308 T CB 1.341 70.215 68.868 0.009 0.000 1.079 1308 T HN 0.286 nan 8.240 nan 0.000 0.496 1309 D N 0.238 120.645 120.400 0.012 0.000 2.369 1309 D HA 0.301 4.945 4.640 0.007 0.000 0.211 1309 D C 0.878 177.171 176.300 -0.012 0.000 1.077 1309 D CA 0.183 54.185 54.000 0.003 0.000 0.842 1309 D CB 0.308 41.110 40.800 0.003 0.000 0.947 1309 D HN 0.674 nan 8.370 nan 0.000 0.509 1310 G N -0.903 107.886 108.800 -0.019 0.000 2.714 1310 G HA2 0.592 4.556 3.960 0.007 0.000 0.292 1310 G HA3 0.592 4.556 3.960 0.007 0.000 0.292 1310 G C -1.347 173.527 174.900 -0.043 0.000 1.308 1310 G CA -0.446 44.632 45.100 -0.037 0.000 0.964 1310 G HN -0.060 nan 8.290 nan 0.000 0.484 1311 V N 0.996 120.877 119.914 -0.055 0.000 2.569 1311 V HA 0.559 4.683 4.120 0.007 0.000 0.301 1311 V C -0.643 175.414 176.094 -0.062 0.000 1.044 1311 V CA -0.820 61.444 62.300 -0.061 0.000 0.874 1311 V CB 1.745 33.525 31.823 -0.072 0.000 1.002 1311 V HN 0.820 nan 8.190 nan 0.000 0.424 1312 N N 4.068 122.735 118.700 -0.054 0.000 2.827 1312 N HA 0.131 4.875 4.740 0.007 0.000 0.240 1312 N C 0.210 175.697 175.510 -0.037 0.000 1.352 1312 N CA -0.397 52.623 53.050 -0.048 0.000 0.760 1312 N CB 1.352 39.810 38.487 -0.049 0.000 1.426 1312 N HN 0.600 nan 8.380 nan 0.000 0.561 1313 L N 2.491 123.690 121.223 -0.039 0.000 2.291 1313 L HA 0.108 4.452 4.340 0.007 0.000 0.214 1313 L C 1.755 178.615 176.870 -0.017 0.000 1.120 1313 L CA 1.595 56.418 54.840 -0.028 0.000 0.799 1313 L CB -0.052 41.987 42.059 -0.034 0.000 0.925 1313 L HN 0.415 nan 8.230 nan 0.000 0.446 1314 S N -0.584 115.104 115.700 -0.020 0.000 2.419 1314 S HA -0.100 4.374 4.470 0.007 0.000 0.235 1314 S C 1.548 176.143 174.600 -0.009 0.000 1.019 1314 S CA 1.322 59.514 58.200 -0.013 0.000 0.982 1314 S CB -0.175 63.016 63.200 -0.016 0.000 0.789 1314 S HN 0.522 nan 8.310 nan 0.000 0.490 1315 E N -0.294 119.900 120.200 -0.011 0.000 2.606 1315 E HA 0.209 4.563 4.350 0.007 0.000 0.224 1315 E C 1.280 177.878 176.600 -0.003 0.000 0.930 1315 E CA 0.154 56.551 56.400 -0.006 0.000 1.125 1315 E CB 0.783 30.478 29.700 -0.009 0.000 1.123 1315 E HN 0.324 nan 8.360 nan 0.000 0.522 1316 V N 1.511 121.423 119.914 -0.004 0.000 2.685 1316 V HA -0.119 4.005 4.120 0.007 0.000 0.244 1316 V C 2.429 178.527 176.094 0.007 0.000 1.054 1316 V CA 1.347 63.646 62.300 -0.000 0.000 1.076 1316 V CB -0.436 31.384 31.823 -0.005 0.000 0.725 1316 V HN 0.292 nan 8.190 nan 0.000 0.467 1317 M N 1.018 120.624 119.600 0.010 0.000 2.419 1317 M HA -0.021 4.463 4.480 0.007 0.000 0.264 1317 M C 1.752 178.063 176.300 0.017 0.000 1.082 1317 M CA 1.823 57.134 55.300 0.020 0.000 1.119 1317 M CB -1.070 31.544 32.600 0.023 0.000 1.398 1317 M HN 0.340 nan 8.290 nan 0.000 0.453 1318 T N -1.176 113.385 114.554 0.011 0.000 3.361 1318 T HA 0.290 4.644 4.350 0.007 0.000 0.251 1318 T C 0.322 175.026 174.700 0.008 0.000 1.131 1318 T CA -0.353 61.753 62.100 0.009 0.000 1.001 1318 T CB -0.798 68.073 68.868 0.005 0.000 1.003 1318 T HN 0.207 nan 8.240 nan 0.000 0.558 1319 V N 2.914 122.834 119.914 0.009 0.000 2.472 1319 V HA 0.415 4.539 4.120 0.007 0.000 0.290 1319 V C -2.214 173.884 176.094 0.007 0.000 1.037 1319 V CA -2.224 60.079 62.300 0.005 0.000 0.908 1319 V CB 1.564 33.389 31.823 0.004 0.000 0.985 1319 V HN 0.289 nan 8.190 nan 0.000 0.454 1320 P HA 0.457 nan 4.420 nan 0.000 0.276 1320 P C 0.683 177.977 177.300 -0.010 0.000 1.243 1320 P CA 0.683 63.781 63.100 -0.003 0.000 0.768 1320 P CB 1.014 32.708 31.700 -0.010 0.000 0.856 1321 G N 3.050 111.847 108.800 -0.004 0.000 3.031 1321 G HA2 -0.155 3.809 3.960 0.007 0.000 0.198 1321 G HA3 -0.155 3.809 3.960 0.007 0.000 0.198 1321 G C 0.136 175.053 174.900 0.028 0.000 1.242 1321 G CA 0.025 45.118 45.100 -0.012 0.000 0.878 1321 G HN 0.627 nan 8.290 nan 0.000 0.493 1322 I N 0.366 120.959 120.570 0.038 0.000 2.886 1322 I HA 0.686 4.860 4.170 0.007 0.000 0.299 1322 I C -0.353 175.812 176.117 0.079 0.000 1.044 1322 I CA -0.581 60.760 61.300 0.068 0.000 1.310 1322 I CB 0.991 39.026 38.000 0.058 0.000 1.441 1322 I HN 0.022 nan 8.210 nan 0.000 0.578 1323 D N 4.876 125.341 120.400 0.110 0.000 2.365 1323 D HA 0.304 4.948 4.640 0.007 0.000 0.237 1323 D C -2.028 174.329 176.300 0.095 0.000 1.190 1323 D CA -2.372 51.688 54.000 0.100 0.000 0.867 1323 D CB 1.058 41.925 40.800 0.112 0.000 1.050 1323 D HN 0.330 nan 8.370 nan 0.000 0.491 1324 P HA 0.138 nan 4.420 nan 0.000 0.249 1324 P C 0.315 177.648 177.300 0.055 0.000 1.544 1324 P CA 0.017 63.154 63.100 0.061 0.000 0.932 1324 P CB 0.448 32.173 31.700 0.043 0.000 1.524 1325 T N -1.380 113.208 114.554 0.056 0.000 3.145 1325 T HA 0.289 4.644 4.350 0.007 0.000 0.281 1325 T C 1.100 175.826 174.700 0.043 0.000 1.003 1325 T CA 0.076 62.199 62.100 0.039 0.000 0.901 1325 T CB -0.113 68.763 68.868 0.014 0.000 1.112 1325 T HN -0.035 nan 8.240 nan 0.000 0.535 1326 R N -0.141 120.416 120.500 0.095 0.000 2.568 1326 R HA 0.418 4.763 4.340 0.007 0.000 0.254 1326 R C 0.484 176.989 176.300 0.341 0.000 0.925 1326 R CA -0.311 55.868 56.100 0.132 0.000 1.025 1326 R CB 0.677 30.975 30.300 -0.002 0.000 1.428 1326 R HN 0.337 nan 8.270 nan 0.000 0.573 1327 I N 2.321 123.054 120.570 0.271 0.000 2.742 1327 I HA -0.126 4.048 4.170 0.007 0.000 0.287 1327 I C -0.941 175.314 176.117 0.231 0.000 1.186 1327 I CA 0.557 61.984 61.300 0.212 0.000 1.417 1327 I CB 0.139 38.203 38.000 0.105 0.000 1.377 1327 I HN 0.023 nan 8.210 nan 0.000 0.556 1328 Y N 6.948 127.295 120.300 0.079 0.000 2.446 1328 Y HA 0.508 5.062 4.550 0.007 0.000 0.345 1328 Y C -0.698 175.225 175.900 0.038 0.000 0.984 1328 Y CA -0.606 57.540 58.100 0.077 0.000 1.058 1328 Y CB 1.750 40.282 38.460 0.120 0.000 1.220 1328 Y HN 0.552 nan 8.280 nan 0.000 0.455 1329 T N 4.493 118.571 114.554 -0.793 0.000 2.863 1329 T HA 0.165 4.519 4.350 0.007 0.000 0.285 1329 T C 0.333 174.521 174.700 -0.853 0.000 1.009 1329 T CA -0.964 60.771 62.100 -0.608 0.000 0.989 1329 T CB 0.940 69.629 68.868 -0.299 0.000 1.004 1329 T HN 0.685 nan 8.240 nan 0.000 0.455 1330 N N 0.324 118.800 118.700 -0.373 0.000 2.485 1330 N HA -0.030 4.714 4.740 0.007 0.000 0.199 1330 N C 0.058 175.547 175.510 -0.036 0.000 1.236 1330 N CA -0.183 52.794 53.050 -0.120 0.000 0.852 1330 N CB 0.227 38.745 38.487 0.051 0.000 1.018 1330 N HN 0.364 nan 8.380 nan 0.000 0.457 1331 S N 0.636 116.257 115.700 -0.132 0.000 2.475 1331 S HA 0.234 4.708 4.470 0.007 0.000 0.249 1331 S C 0.508 175.018 174.600 -0.150 0.000 1.298 1331 S CA -1.010 57.094 58.200 -0.161 0.000 1.125 1331 S CB -0.925 62.166 63.200 -0.182 0.000 1.054 1331 S HN 0.302 nan 8.310 nan 0.000 0.484 1332 F N 3.383 123.316 119.950 -0.028 0.000 2.494 1332 F HA 0.077 4.608 4.527 0.007 0.000 0.298 1332 F C 1.331 177.136 175.800 0.008 0.000 1.106 1332 F CA 0.646 58.651 58.000 0.008 0.000 1.452 1332 F CB -0.421 38.610 39.000 0.052 0.000 1.085 1332 F HN 0.564 nan 8.300 nan 0.000 0.569 1333 I N 0.263 120.474 120.570 -0.598 0.000 2.584 1333 I HA -0.145 4.029 4.170 0.007 0.000 0.255 1333 I C 1.804 177.823 176.117 -0.162 0.000 1.145 1333 I CA 1.287 62.358 61.300 -0.382 0.000 1.462 1333 I CB -0.304 37.399 38.000 -0.495 0.000 1.102 1333 I HN -0.014 nan 8.210 nan 0.000 0.433 1334 D N 0.932 121.237 120.400 -0.158 0.000 2.120 1334 D HA -0.095 4.549 4.640 0.007 0.000 0.202 1334 D C 2.338 178.613 176.300 -0.042 0.000 0.972 1334 D CA 1.037 54.983 54.000 -0.091 0.000 0.837 1334 D CB 0.046 40.786 40.800 -0.099 0.000 0.989 1334 D HN 0.271 nan 8.370 nan 0.000 0.469 1335 I N 1.690 122.243 120.570 -0.027 0.000 2.113 1335 I HA -0.315 3.860 4.170 0.007 0.000 0.242 1335 I C 2.655 178.799 176.117 0.045 0.000 1.064 1335 I CA 1.107 62.420 61.300 0.022 0.000 1.320 1335 I CB -0.852 37.187 38.000 0.065 0.000 1.028 1335 I HN 0.128 nan 8.210 nan 0.000 0.406 1336 M N 0.983 120.622 119.600 0.064 0.000 2.082 1336 M HA -0.285 4.199 4.480 0.007 0.000 0.258 1336 M C 2.095 178.416 176.300 0.036 0.000 1.071 1336 M CA 2.110 57.451 55.300 0.067 0.000 1.103 1336 M CB -0.509 32.143 32.600 0.087 0.000 1.307 1336 M HN 0.142 nan 8.290 nan 0.000 0.409 1337 E N -0.537 119.671 120.200 0.013 0.000 2.209 1337 E HA -0.176 4.179 4.350 0.007 0.000 0.196 1337 E C 1.905 178.510 176.600 0.007 0.000 0.993 1337 E CA 1.623 58.026 56.400 0.004 0.000 0.819 1337 E CB -0.026 29.666 29.700 -0.014 0.000 0.745 1337 E HN 0.532 nan 8.360 nan 0.000 0.477 1338 V N 0.110 120.029 119.914 0.008 0.000 2.690 1338 V HA -0.048 4.077 4.120 0.007 0.000 0.240 1338 V C 1.684 177.788 176.094 0.018 0.000 1.078 1338 V CA 0.774 63.079 62.300 0.009 0.000 1.102 1338 V CB 0.091 31.916 31.823 0.003 0.000 0.800 1338 V HN 0.175 nan 8.190 nan 0.000 0.479 1339 L N 0.656 121.895 121.223 0.027 0.000 2.741 1339 L HA 0.587 4.931 4.340 0.007 0.000 0.237 1339 L C 0.858 177.749 176.870 0.035 0.000 1.178 1339 L CA 0.411 55.271 54.840 0.033 0.000 0.973 1339 L CB -0.251 41.834 42.059 0.044 0.000 1.255 1339 L HN 0.486 nan 8.230 nan 0.000 0.498 1340 G N 0.542 109.363 108.800 0.034 0.000 2.712 1340 G HA2 -0.250 3.714 3.960 0.007 0.000 0.686 1340 G HA3 -0.250 3.714 3.960 0.007 0.000 0.686 1340 G C 0.172 175.100 174.900 0.047 0.000 1.321 1340 G CA -0.223 44.899 45.100 0.036 0.000 0.813 1340 G HN 0.031 nan 8.290 nan 0.000 0.599 1341 I N 0.351 120.949 120.570 0.046 0.000 2.264 1341 I HA -0.065 4.109 4.170 0.007 0.000 0.248 1341 I C 2.358 178.511 176.117 0.060 0.000 1.111 1341 I CA 2.497 63.831 61.300 0.057 0.000 1.382 1341 I CB -0.031 38.001 38.000 0.052 0.000 1.060 1341 I HN 0.658 nan 8.210 nan 0.000 0.418 1342 E N 0.336 120.565 120.200 0.048 0.000 2.268 1342 E HA -0.118 4.237 4.350 0.007 0.000 0.195 1342 E C 2.116 178.745 176.600 0.048 0.000 0.995 1342 E CA 1.087 57.512 56.400 0.042 0.000 0.836 1342 E CB -0.100 29.617 29.700 0.028 0.000 0.763 1342 E HN 0.632 nan 8.360 nan 0.000 0.491 1343 A N 0.236 123.091 122.820 0.058 0.000 2.030 1343 A HA 0.107 4.431 4.320 0.007 0.000 0.215 1343 A C 2.357 180.006 177.584 0.109 0.000 1.164 1343 A CA 1.094 53.176 52.037 0.075 0.000 0.697 1343 A CB -0.478 18.566 19.000 0.073 0.000 0.827 1343 A HN 0.295 nan 8.150 nan 0.000 0.457 1344 G N 1.115 109.980 108.800 0.108 0.000 2.440 1344 G HA2 -0.290 3.674 3.960 0.007 0.000 0.218 1344 G HA3 -0.290 3.674 3.960 0.007 0.000 0.218 1344 G C 1.640 176.623 174.900 0.139 0.000 1.154 1344 G CA 1.520 46.708 45.100 0.147 0.000 0.767 1344 G HN 0.691 nan 8.290 nan 0.000 0.552 1345 R N 1.542 122.099 120.500 0.095 0.000 2.177 1345 R HA 0.056 4.401 4.340 0.007 0.000 0.221 1345 R C 2.622 178.984 176.300 0.103 0.000 1.110 1345 R CA 2.605 58.748 56.100 0.072 0.000 0.875 1345 R CB -1.455 28.871 30.300 0.042 0.000 0.810 1345 R HN 0.294 nan 8.270 nan 0.000 0.437 1346 A N 0.454 123.331 122.820 0.096 0.000 1.997 1346 A HA -0.128 4.196 4.320 0.007 0.000 0.221 1346 A C 2.531 180.246 177.584 0.219 0.000 1.172 1346 A CA 2.584 54.699 52.037 0.131 0.000 0.645 1346 A CB -1.309 17.729 19.000 0.064 0.000 0.813 1346 A HN 0.768 nan 8.150 nan 0.000 0.454 1347 A N -0.584 122.373 122.820 0.228 0.000 1.898 1347 A HA 0.015 4.339 4.320 0.007 0.000 0.216 1347 A C 2.110 179.838 177.584 0.240 0.000 1.181 1347 A CA 1.633 53.867 52.037 0.328 0.000 0.620 1347 A CB -0.583 18.616 19.000 0.331 0.000 0.819 1347 A HN 0.881 nan 8.150 nan 0.000 0.442 1348 L N -1.516 119.758 121.223 0.085 0.000 2.131 1348 L HA -0.139 4.205 4.340 0.007 0.000 0.210 1348 L C 2.235 179.028 176.870 -0.129 0.000 1.092 1348 L CA 2.318 56.979 54.840 -0.298 0.000 0.759 1348 L CB -0.832 40.974 42.059 -0.421 0.000 0.903 1348 L HN 0.520 nan 8.230 nan 0.000 0.435 1349 Y N 0.417 120.679 120.300 -0.064 0.000 2.163 1349 Y HA -0.255 4.300 4.550 0.007 0.000 0.288 1349 Y C 2.655 178.595 175.900 0.067 0.000 1.136 1349 Y CA 2.227 60.318 58.100 -0.015 0.000 1.147 1349 Y CB -0.148 38.307 38.460 -0.008 0.000 0.987 1349 Y HN 0.217 nan 8.280 nan 0.000 0.509 1350 K N -0.146 120.371 120.400 0.195 0.000 2.211 1350 K HA -0.220 4.104 4.320 0.007 0.000 0.204 1350 K C 1.668 178.331 176.600 0.105 0.000 1.047 1350 K CA 1.817 58.185 56.287 0.135 0.000 0.935 1350 K CB 0.005 32.602 32.500 0.162 0.000 0.728 1350 K HN 0.284 nan 8.250 nan 0.000 0.452 1351 E N -0.479 119.765 120.200 0.074 0.000 2.102 1351 E HA -0.043 4.311 4.350 0.007 0.000 0.190 1351 E C 1.726 178.313 176.600 -0.022 0.000 0.971 1351 E CA 0.579 57.020 56.400 0.070 0.000 0.821 1351 E CB 0.106 29.866 29.700 0.101 0.000 0.777 1351 E HN 0.003 nan 8.360 nan 0.000 0.460 1352 V N 0.699 120.540 119.914 -0.121 0.000 2.469 1352 V HA -0.275 3.850 4.120 0.007 0.000 0.251 1352 V C 1.947 177.938 176.094 -0.171 0.000 1.064 1352 V CA 1.876 64.082 62.300 -0.157 0.000 1.066 1352 V CB -0.530 31.172 31.823 -0.201 0.000 0.667 1352 V HN 0.352 nan 8.190 nan 0.000 0.461 1353 Y N 0.801 120.883 120.300 -0.363 0.000 2.220 1353 Y HA -0.101 4.453 4.550 0.007 0.000 0.291 1353 Y C 2.477 178.316 175.900 -0.102 0.000 1.129 1353 Y CA 1.807 59.724 58.100 -0.305 0.000 1.161 1353 Y CB -0.118 38.094 38.460 -0.413 0.000 0.997 1353 Y HN 0.223 nan 8.280 nan 0.000 0.522 1354 N N -0.401 118.357 118.700 0.096 0.000 2.409 1354 N HA -0.150 4.594 4.740 0.007 0.000 0.179 1354 N C 1.844 177.356 175.510 0.003 0.000 1.032 1354 N CA 0.847 53.947 53.050 0.082 0.000 0.898 1354 N CB 0.089 38.667 38.487 0.152 0.000 0.971 1354 N HN 0.282 nan 8.380 nan 0.000 0.441 1355 V N 1.655 121.557 119.914 -0.020 0.000 2.343 1355 V HA -0.187 3.938 4.120 0.007 0.000 0.247 1355 V C 2.021 178.076 176.094 -0.064 0.000 1.051 1355 V CA 1.262 63.545 62.300 -0.029 0.000 1.036 1355 V CB -0.185 31.622 31.823 -0.027 0.000 0.654 1355 V HN 0.180 nan 8.190 nan 0.000 0.451 1356 I N 0.240 120.733 120.570 -0.128 0.000 2.270 1356 I HA 0.010 4.184 4.170 0.007 0.000 0.239 1356 I C 2.679 178.702 176.117 -0.157 0.000 1.080 1356 I CA 1.733 62.944 61.300 -0.149 0.000 1.383 1356 I CB -1.885 35.995 38.000 -0.200 0.000 1.097 1356 I HN 0.326 nan 8.210 nan 0.000 0.420 1357 A N 1.189 123.849 122.820 -0.267 0.000 2.067 1357 A HA -0.128 4.196 4.320 0.007 0.000 0.219 1357 A C 2.427 179.965 177.584 -0.077 0.000 1.158 1357 A CA 1.721 53.627 52.037 -0.219 0.000 0.661 1357 A CB -0.678 18.081 19.000 -0.401 0.000 0.801 1357 A HN 0.569 nan 8.150 nan 0.000 0.452 1358 S N -0.055 115.616 115.700 -0.048 0.000 2.423 1358 S HA -0.096 4.378 4.470 0.007 0.000 0.231 1358 S C 0.775 175.372 174.600 -0.005 0.000 1.014 1358 S CA 1.104 59.302 58.200 -0.004 0.000 0.965 1358 S CB -0.242 62.966 63.200 0.014 0.000 0.785 1358 S HN 0.503 nan 8.310 nan 0.000 0.495 1359 D N 1.493 121.883 120.400 -0.017 0.000 2.370 1359 D HA 0.297 4.942 4.640 0.007 0.000 0.230 1359 D C 1.190 177.486 176.300 -0.006 0.000 1.143 1359 D CA 0.514 54.509 54.000 -0.009 0.000 0.834 1359 D CB -0.041 40.753 40.800 -0.011 0.000 0.944 1359 D HN 0.566 nan 8.370 nan 0.000 0.504 1360 G N 0.743 109.539 108.800 -0.008 0.000 2.198 1360 G HA2 -0.268 3.696 3.960 0.007 0.000 0.260 1360 G HA3 -0.268 3.696 3.960 0.007 0.000 0.260 1360 G C 0.373 175.281 174.900 0.014 0.000 1.025 1360 G CA 0.413 45.515 45.100 0.002 0.000 0.769 1360 G HN 0.317 nan 8.290 nan 0.000 0.507 1361 S N -1.117 114.585 115.700 0.004 0.000 2.681 1361 S HA 0.754 5.229 4.470 0.007 0.000 0.299 1361 S C -0.825 173.817 174.600 0.071 0.000 1.113 1361 S CA -0.564 57.652 58.200 0.026 0.000 1.013 1361 S CB 2.017 65.212 63.200 -0.008 0.000 1.076 1361 S HN 0.910 nan 8.310 nan 0.000 0.534 1362 Y N 0.954 121.234 120.300 -0.034 0.000 2.354 1362 Y HA 0.632 5.186 4.550 0.007 0.000 0.330 1362 Y C -1.592 174.325 175.900 0.028 0.000 1.011 1362 Y CA -0.845 57.243 58.100 -0.021 0.000 1.099 1362 Y CB 0.685 39.155 38.460 0.016 0.000 1.179 1362 Y HN 0.378 nan 8.280 nan 0.000 0.442 1363 V N 6.245 125.912 119.914 -0.412 0.000 2.495 1363 V HA 0.272 4.397 4.120 0.007 0.000 0.298 1363 V C -0.263 175.535 176.094 -0.494 0.000 1.031 1363 V CA -1.079 60.986 62.300 -0.391 0.000 0.871 1363 V CB 1.650 33.397 31.823 -0.126 0.000 0.988 1363 V HN 0.848 nan 8.190 nan 0.000 0.432 1364 N N 2.676 121.136 118.700 -0.399 0.000 2.458 1364 N HA -0.032 4.712 4.740 0.007 0.000 0.258 1364 N C 0.891 176.429 175.510 0.047 0.000 1.219 1364 N CA 0.262 53.196 53.050 -0.194 0.000 0.902 1364 N CB 0.216 38.665 38.487 -0.065 0.000 1.076 1364 N HN 0.659 nan 8.380 nan 0.000 0.455 1365 Y N 4.267 124.648 120.300 0.135 0.000 2.108 1365 Y HA -0.438 4.117 4.550 0.007 0.000 0.274 1365 Y C 2.013 177.919 175.900 0.010 0.000 1.229 1365 Y CA 2.683 60.890 58.100 0.178 0.000 1.129 1365 Y CB -0.097 38.461 38.460 0.164 0.000 0.946 1365 Y HN 0.735 nan 8.280 nan 0.000 0.509 1366 R N -1.470 118.950 120.500 -0.133 0.000 2.159 1366 R HA -0.189 4.156 4.340 0.007 0.000 0.237 1366 R C 1.711 177.839 176.300 -0.287 0.000 1.131 1366 R CA 1.693 57.584 56.100 -0.349 0.000 0.982 1366 R CB -0.986 28.974 30.300 -0.567 0.000 0.868 1366 R HN 0.480 nan 8.270 nan 0.000 0.453 1367 H N 1.128 120.180 119.070 -0.031 0.000 2.317 1367 H HA 0.106 4.667 4.556 0.007 0.000 0.304 1367 H C 2.286 177.587 175.328 -0.046 0.000 1.067 1367 H CA 1.560 57.602 56.048 -0.010 0.000 1.352 1367 H CB -0.301 29.458 29.762 -0.005 0.000 1.398 1367 H HN 0.171 nan 8.280 nan 0.000 0.510 1368 M N 0.582 120.224 119.600 0.070 0.000 2.065 1368 M HA -0.103 4.381 4.480 0.007 0.000 0.259 1368 M C 2.746 179.039 176.300 -0.011 0.000 1.071 1368 M CA 1.657 56.976 55.300 0.031 0.000 1.109 1368 M CB -0.474 32.160 32.600 0.057 0.000 1.313 1368 M HN 0.214 nan 8.290 nan 0.000 0.408 1369 A N 0.171 122.885 122.820 -0.176 0.000 2.093 1369 A HA -0.192 4.132 4.320 0.007 0.000 0.222 1369 A C 2.109 179.591 177.584 -0.170 0.000 1.162 1369 A CA 1.665 53.493 52.037 -0.348 0.000 0.655 1369 A CB -0.839 17.621 19.000 -0.901 0.000 0.805 1369 A HN 0.467 nan 8.150 nan 0.000 0.461 1370 L N -1.171 119.994 121.223 -0.096 0.000 2.022 1370 L HA 0.025 4.370 4.340 0.007 0.000 0.204 1370 L C 2.222 179.070 176.870 -0.037 0.000 1.076 1370 L CA 1.896 56.717 54.840 -0.031 0.000 0.749 1370 L CB -0.707 41.384 42.059 0.054 0.000 0.903 1370 L HN 0.344 nan 8.230 nan 0.000 0.439 1371 L N -0.548 120.655 121.223 -0.033 0.000 1.997 1371 L HA -0.278 4.067 4.340 0.007 0.000 0.227 1371 L C 2.376 179.211 176.870 -0.059 0.000 1.087 1371 L CA 2.502 57.307 54.840 -0.059 0.000 0.797 1371 L CB -1.174 40.851 42.059 -0.058 0.000 0.902 1371 L HN 0.179 nan 8.230 nan 0.000 0.441 1372 V N 0.263 120.152 119.914 -0.042 0.000 2.233 1372 V HA -0.429 3.695 4.120 0.007 0.000 0.252 1372 V C 2.310 178.387 176.094 -0.028 0.000 1.063 1372 V CA 2.416 64.698 62.300 -0.030 0.000 1.032 1372 V CB -0.987 30.850 31.823 0.022 0.000 0.645 1372 V HN 0.581 nan 8.190 nan 0.000 0.446 1373 D N -0.628 119.753 120.400 -0.033 0.000 2.264 1373 D HA -0.096 4.548 4.640 0.007 0.000 0.208 1373 D C 1.938 178.222 176.300 -0.027 0.000 0.966 1373 D CA 0.931 54.916 54.000 -0.024 0.000 0.864 1373 D CB -0.266 40.516 40.800 -0.030 0.000 0.933 1373 D HN 0.375 nan 8.370 nan 0.000 0.499 1374 V N 0.495 120.383 119.914 -0.043 0.000 2.307 1374 V HA -0.235 3.889 4.120 0.007 0.000 0.245 1374 V C 2.383 178.459 176.094 -0.031 0.000 1.045 1374 V CA 1.275 63.543 62.300 -0.053 0.000 1.024 1374 V CB -0.469 31.299 31.823 -0.092 0.000 0.651 1374 V HN 0.206 nan 8.190 nan 0.000 0.449 1375 M N 0.092 119.676 119.600 -0.026 0.000 2.106 1375 M HA -0.201 4.284 4.480 0.007 0.000 0.259 1375 M C 2.155 178.473 176.300 0.030 0.000 1.068 1375 M CA 2.312 57.618 55.300 0.010 0.000 1.100 1375 M CB -0.791 31.813 32.600 0.007 0.000 1.351 1375 M HN 0.382 nan 8.290 nan 0.000 0.404 1376 T N -0.681 113.886 114.554 0.022 0.000 2.978 1376 T HA -0.039 4.315 4.350 0.007 0.000 0.262 1376 T C 1.805 176.525 174.700 0.033 0.000 1.063 1376 T CA 1.632 63.754 62.100 0.036 0.000 1.140 1376 T CB -0.407 68.481 68.868 0.034 0.000 0.886 1376 T HN 0.546 nan 8.240 nan 0.000 0.470 1377 T N 0.547 115.112 114.554 0.018 0.000 3.051 1377 T HA -0.025 4.329 4.350 0.007 0.000 0.269 1377 T C 1.761 176.474 174.700 0.021 0.000 1.127 1377 T CA 0.620 62.730 62.100 0.016 0.000 1.107 1377 T CB -0.210 68.653 68.868 -0.009 0.000 0.898 1377 T HN 0.314 nan 8.240 nan 0.000 0.517 1378 Q N 0.684 120.500 119.800 0.026 0.000 2.245 1378 Q HA 0.187 4.532 4.340 0.007 0.000 0.201 1378 Q C 1.838 177.859 176.000 0.035 0.000 0.955 1378 Q CA 1.127 56.948 55.803 0.030 0.000 0.870 1378 Q CB -0.077 28.683 28.738 0.036 0.000 0.945 1378 Q HN 0.764 nan 8.270 nan 0.000 0.461 1379 G N -1.526 107.298 108.800 0.040 0.000 3.345 1379 G HA2 -0.112 3.852 3.960 0.007 0.000 0.199 1379 G HA3 -0.112 3.852 3.960 0.007 0.000 0.199 1379 G C 0.260 175.188 174.900 0.046 0.000 1.057 1379 G CA -0.171 44.954 45.100 0.041 0.000 0.865 1379 G HN 0.552 nan 8.290 nan 0.000 0.449 1380 G N -0.423 108.407 108.800 0.051 0.000 3.212 1380 G HA2 0.608 4.572 3.960 0.007 0.000 0.188 1380 G HA3 0.608 4.572 3.960 0.007 0.000 0.188 1380 G C -0.889 174.055 174.900 0.075 0.000 1.254 1380 G CA -0.822 44.313 45.100 0.059 0.000 0.957 1380 G HN 0.567 nan 8.290 nan 0.000 0.596 1381 L N 1.659 122.936 121.223 0.090 0.000 2.270 1381 L HA 0.327 4.672 4.340 0.007 0.000 0.286 1381 L C -0.082 176.857 176.870 0.114 0.000 1.059 1381 L CA -0.251 54.663 54.840 0.122 0.000 0.839 1381 L CB 1.141 43.306 42.059 0.178 0.000 1.221 1381 L HN 0.282 nan 8.230 nan 0.000 0.431 1382 T N 1.507 116.123 114.554 0.104 0.000 2.729 1382 T HA 0.188 4.542 4.350 0.007 0.000 0.296 1382 T C 0.458 175.244 174.700 0.145 0.000 0.928 1382 T CA -0.594 61.575 62.100 0.114 0.000 1.045 1382 T CB 0.709 69.639 68.868 0.103 0.000 0.902 1382 T HN 0.632 nan 8.240 nan 0.000 0.500 1383 S N 2.169 117.967 115.700 0.164 0.000 2.579 1383 S HA 0.149 4.624 4.470 0.007 0.000 0.275 1383 S C 0.737 175.514 174.600 0.294 0.000 1.345 1383 S CA -0.946 57.369 58.200 0.192 0.000 1.031 1383 S CB 0.552 63.855 63.200 0.171 0.000 0.892 1383 S HN 0.444 nan 8.310 nan 0.000 0.529 1384 V N 2.477 122.554 119.914 0.273 0.000 3.099 1384 V HA 0.259 4.383 4.120 0.007 0.000 0.387 1384 V C 0.766 177.187 176.094 0.545 0.000 1.358 1384 V CA 0.263 62.806 62.300 0.404 0.000 1.528 1384 V CB -1.964 29.915 31.823 0.094 0.000 1.342 1384 V HN 1.106 nan 8.190 nan 0.000 0.513 1385 T N -2.753 112.015 114.554 0.356 0.000 2.843 1385 T HA 0.399 4.753 4.350 0.007 0.000 0.302 1385 T C 1.043 175.660 174.700 -0.138 0.000 1.232 1385 T CA -0.738 61.466 62.100 0.174 0.000 1.009 1385 T CB 1.729 70.744 68.868 0.245 0.000 1.254 1385 T HN 0.316 nan 8.240 nan 0.000 0.504 1386 R N 0.257 120.734 120.500 -0.038 0.000 2.226 1386 R HA -0.225 4.119 4.340 0.007 0.000 0.246 1386 R C 1.249 177.372 176.300 -0.296 0.000 1.161 1386 R CA 2.071 58.060 56.100 -0.184 0.000 0.997 1386 R CB -1.112 29.142 30.300 -0.077 0.000 0.870 1386 R HN 0.787 nan 8.270 nan 0.000 0.465 1387 H N 0.442 119.464 119.070 -0.080 0.000 2.343 1387 H HA 0.110 4.670 4.556 0.007 0.000 0.303 1387 H C 2.167 177.453 175.328 -0.070 0.000 1.068 1387 H CA 1.413 57.430 56.048 -0.051 0.000 1.359 1387 H CB -0.304 29.455 29.762 -0.005 0.000 1.402 1387 H HN 0.393 nan 8.280 nan 0.000 0.515 1388 G N 0.858 109.695 108.800 0.062 0.000 2.707 1388 G HA2 -0.223 3.741 3.960 0.007 0.000 0.192 1388 G HA3 -0.223 3.741 3.960 0.007 0.000 0.192 1388 G C 1.001 175.875 174.900 -0.044 0.000 1.471 1388 G CA 0.608 45.739 45.100 0.051 0.000 0.865 1388 G HN 0.504 nan 8.290 nan 0.000 0.529 1389 F N 0.577 120.499 119.950 -0.047 0.000 2.788 1389 F HA 0.283 4.815 4.527 0.007 0.000 0.300 1389 F C 1.465 177.179 175.800 -0.143 0.000 1.229 1389 F CA 0.414 58.354 58.000 -0.099 0.000 1.446 1389 F CB -0.479 38.440 39.000 -0.136 0.000 1.118 1389 F HN 0.027 nan 8.300 nan 0.000 0.579 1390 N N 0.564 119.001 118.700 -0.438 0.000 2.322 1390 N HA 0.027 4.771 4.740 0.007 0.000 0.181 1390 N C 1.687 177.111 175.510 -0.143 0.000 1.088 1390 N CA 0.247 53.101 53.050 -0.327 0.000 0.885 1390 N CB -0.002 38.231 38.487 -0.423 0.000 1.013 1390 N HN 0.302 nan 8.380 nan 0.000 0.472 1391 R N 0.854 121.294 120.500 -0.099 0.000 2.254 1391 R HA 0.186 4.530 4.340 0.007 0.000 0.195 1391 R C -0.250 176.037 176.300 -0.023 0.000 0.957 1391 R CA 0.452 56.523 56.100 -0.048 0.000 1.024 1391 R CB -0.522 29.760 30.300 -0.031 0.000 0.952 1391 R HN -0.009 nan 8.270 nan 0.000 0.484 1392 S N 2.954 118.645 115.700 -0.014 0.000 3.716 1392 S HA -0.011 4.464 4.470 0.007 0.000 0.254 1392 S C 0.235 174.834 174.600 -0.001 0.000 1.209 1392 S CA 0.055 58.258 58.200 0.005 0.000 1.026 1392 S CB -0.881 62.335 63.200 0.027 0.000 1.625 1392 S HN 0.662 nan 8.310 nan 0.000 0.500 1393 N N 0.252 118.949 118.700 -0.005 0.000 2.602 1393 N HA -0.284 4.460 4.740 0.007 0.000 0.242 1393 N C -0.353 175.147 175.510 -0.016 0.000 1.200 1393 N CA 2.052 55.096 53.050 -0.010 0.000 0.848 1393 N CB -2.609 35.875 38.487 -0.006 0.000 1.195 1393 N HN 0.639 nan 8.380 nan 0.000 0.585 1394 T N 0.336 114.881 114.554 -0.015 0.000 2.903 1394 T HA 0.452 4.806 4.350 0.007 0.000 0.314 1394 T C 1.258 175.943 174.700 -0.024 0.000 1.078 1394 T CA 0.190 62.279 62.100 -0.020 0.000 1.114 1394 T CB 0.922 69.782 68.868 -0.013 0.000 0.987 1394 T HN 0.478 nan 8.240 nan 0.000 0.548 1395 G N 0.344 109.122 108.800 -0.036 0.000 2.321 1395 G HA2 0.323 4.288 3.960 0.007 0.000 0.237 1395 G HA3 0.323 4.288 3.960 0.007 0.000 0.237 1395 G C 1.150 176.042 174.900 -0.013 0.000 1.282 1395 G CA -0.277 44.793 45.100 -0.050 0.000 0.886 1395 G HN 0.969 nan 8.290 nan 0.000 0.528 1396 A N 2.935 125.763 122.820 0.014 0.000 1.859 1396 A HA -0.150 4.175 4.320 0.007 0.000 0.217 1396 A C 2.517 180.185 177.584 0.140 0.000 1.198 1396 A CA 1.694 53.808 52.037 0.128 0.000 0.629 1396 A CB -0.584 18.627 19.000 0.351 0.000 0.830 1396 A HN 0.686 nan 8.150 nan 0.000 0.446 1397 L N -1.589 119.727 121.223 0.155 0.000 2.051 1397 L HA -0.287 4.058 4.340 0.007 0.000 0.214 1397 L C 2.861 179.772 176.870 0.069 0.000 1.076 1397 L CA 2.177 57.097 54.840 0.134 0.000 0.758 1397 L CB -0.446 41.670 42.059 0.096 0.000 0.890 1397 L HN 0.649 nan 8.230 nan 0.000 0.433 1398 M N -0.465 119.156 119.600 0.036 0.000 2.175 1398 M HA -0.183 4.302 4.480 0.007 0.000 0.264 1398 M C 2.255 178.575 176.300 0.034 0.000 1.063 1398 M CA 1.714 57.027 55.300 0.023 0.000 1.119 1398 M CB -0.014 32.585 32.600 -0.003 0.000 1.377 1398 M HN 0.022 nan 8.290 nan 0.000 0.415 1399 R N -1.084 119.434 120.500 0.031 0.000 2.240 1399 R HA 0.021 4.365 4.340 0.007 0.000 0.203 1399 R C 2.235 178.572 176.300 0.063 0.000 1.011 1399 R CA 0.687 56.801 56.100 0.023 0.000 1.007 1399 R CB -0.574 29.722 30.300 -0.006 0.000 0.911 1399 R HN 0.460 nan 8.270 nan 0.000 0.468 1400 C N 0.969 120.306 119.300 0.060 0.000 2.442 1400 C HA -0.100 4.365 4.460 0.007 0.000 0.279 1400 C C 1.988 177.021 174.990 0.071 0.000 1.237 1400 C CA 1.482 60.526 59.018 0.044 0.000 1.722 1400 C CB -0.667 27.091 27.740 0.031 0.000 2.056 1400 C HN 0.503 nan 8.230 nan 0.000 0.469 1401 S N -0.643 115.108 115.700 0.085 0.000 3.397 1401 S HA 0.080 4.555 4.470 0.007 0.000 0.242 1401 S C -0.086 174.638 174.600 0.208 0.000 1.173 1401 S CA 0.176 58.436 58.200 0.101 0.000 1.225 1401 S CB -0.675 62.572 63.200 0.080 0.000 1.188 1401 S HN 0.603 nan 8.310 nan 0.000 0.459 1402 F N 0.613 120.558 119.950 -0.008 0.000 2.041 1402 F HA 0.435 4.967 4.527 0.007 0.000 0.210 1402 F C 1.272 177.063 175.800 -0.014 0.000 1.294 1402 F CA -0.431 57.568 58.000 -0.001 0.000 1.229 1402 F CB -0.008 38.987 39.000 -0.009 0.000 1.977 1402 F HN 0.158 nan 8.300 nan 0.000 0.117 1403 E N -0.432 119.673 120.200 -0.159 0.000 2.288 1403 E HA 0.108 4.462 4.350 0.007 0.000 0.200 1403 E C -0.242 176.297 176.600 -0.102 0.000 0.880 1403 E CA 0.100 56.329 56.400 -0.285 0.000 0.971 1403 E CB 0.417 29.840 29.700 -0.462 0.000 0.954 1403 E HN 0.330 nan 8.360 nan 0.000 0.489 1404 E N 1.763 121.948 120.200 -0.026 0.000 2.127 1404 E HA 0.109 4.464 4.350 0.007 0.000 0.262 1404 E C 0.038 176.604 176.600 -0.056 0.000 1.144 1404 E CA -0.136 56.234 56.400 -0.051 0.000 1.144 1404 E CB 0.699 30.367 29.700 -0.054 0.000 1.297 1404 E HN 0.107 nan 8.360 nan 0.000 0.469 1405 T N -0.335 114.175 114.554 -0.074 0.000 2.737 1405 T HA -0.135 4.220 4.350 0.007 0.000 0.265 1405 T C 1.963 176.560 174.700 -0.171 0.000 1.038 1405 T CA 0.998 63.045 62.100 -0.089 0.000 1.144 1405 T CB 0.105 68.923 68.868 -0.082 0.000 0.866 1405 T HN 0.162 nan 8.240 nan 0.000 0.434 1406 V N 2.911 122.691 119.914 -0.222 0.000 2.255 1406 V HA -0.132 3.992 4.120 0.007 0.000 0.243 1406 V C 2.809 178.562 176.094 -0.567 0.000 1.038 1406 V CA 1.533 63.573 62.300 -0.434 0.000 1.008 1406 V CB -0.914 30.683 31.823 -0.377 0.000 0.645 1406 V HN 0.489 nan 8.190 nan 0.000 0.449 1407 E N 0.870 120.925 120.200 -0.242 0.000 2.130 1407 E HA -0.240 4.115 4.350 0.007 0.000 0.196 1407 E C 2.245 178.800 176.600 -0.076 0.000 0.998 1407 E CA 1.565 57.944 56.400 -0.035 0.000 0.806 1407 E CB -0.761 28.954 29.700 0.025 0.000 0.738 1407 E HN 0.448 nan 8.360 nan 0.000 0.459 1408 I N 1.293 121.800 120.570 -0.105 0.000 2.194 1408 I HA -0.234 3.940 4.170 0.007 0.000 0.246 1408 I C 2.659 178.729 176.117 -0.078 0.000 1.093 1408 I CA 1.005 62.267 61.300 -0.062 0.000 1.355 1408 I CB -0.915 37.061 38.000 -0.041 0.000 1.046 1408 I HN 0.094 nan 8.210 nan 0.000 0.413 1409 L N -0.897 120.199 121.223 -0.212 0.000 2.083 1409 L HA -0.205 4.139 4.340 0.007 0.000 0.209 1409 L C 2.507 179.246 176.870 -0.219 0.000 1.083 1409 L CA 1.332 55.970 54.840 -0.336 0.000 0.752 1409 L CB -0.637 41.127 42.059 -0.492 0.000 0.899 1409 L HN 0.068 nan 8.230 nan 0.000 0.433 1410 F N 0.656 120.516 119.950 -0.150 0.000 2.014 1410 F HA -0.255 4.276 4.527 0.007 0.000 0.295 1410 F C 2.783 178.585 175.800 0.004 0.000 1.145 1410 F CA 1.368 59.270 58.000 -0.163 0.000 1.178 1410 F CB -0.392 38.317 39.000 -0.484 0.000 0.972 1410 F HN 0.179 nan 8.300 nan 0.000 0.476 1411 E N 1.088 121.388 120.200 0.166 0.000 2.209 1411 E HA -0.221 4.133 4.350 0.007 0.000 0.196 1411 E C 2.053 178.707 176.600 0.090 0.000 0.993 1411 E CA 1.045 57.511 56.400 0.110 0.000 0.819 1411 E CB -0.554 29.153 29.700 0.012 0.000 0.745 1411 E HN 0.413 nan 8.360 nan 0.000 0.477 1412 A N 1.798 124.685 122.820 0.112 0.000 1.933 1412 A HA -0.029 4.295 4.320 0.007 0.000 0.218 1412 A C 2.489 180.197 177.584 0.207 0.000 1.175 1412 A CA 1.520 53.672 52.037 0.191 0.000 0.628 1412 A CB -1.010 18.211 19.000 0.369 0.000 0.814 1412 A HN 0.431 nan 8.150 nan 0.000 0.444 1413 G N -1.133 107.770 108.800 0.171 0.000 2.464 1413 G HA2 0.166 4.131 3.960 0.007 0.000 0.217 1413 G HA3 0.166 4.131 3.960 0.007 0.000 0.217 1413 G C 1.524 176.505 174.900 0.135 0.000 1.138 1413 G CA 1.163 46.367 45.100 0.174 0.000 0.793 1413 G HN 0.716 nan 8.290 nan 0.000 0.539 1414 A N 0.491 123.386 122.820 0.124 0.000 1.887 1414 A HA 0.254 4.578 4.320 0.007 0.000 0.212 1414 A C 2.372 179.814 177.584 -0.236 0.000 1.198 1414 A CA 1.609 53.619 52.037 -0.045 0.000 0.628 1414 A CB -0.136 18.872 19.000 0.014 0.000 0.847 1414 A HN 0.201 nan 8.150 nan 0.000 0.449 1415 S N -0.462 115.121 115.700 -0.194 0.000 2.631 1415 S HA 0.410 4.884 4.470 0.007 0.000 0.217 1415 S C 0.945 175.485 174.600 -0.099 0.000 0.958 1415 S CA 0.585 58.648 58.200 -0.229 0.000 0.920 1415 S CB -0.151 62.941 63.200 -0.181 0.000 0.776 1415 S HN 1.579 nan 8.310 nan 0.000 0.517 1416 A N 1.730 124.530 122.820 -0.033 0.000 2.687 1416 A HA -0.215 4.109 4.320 0.007 0.000 0.299 1416 A C 0.176 177.697 177.584 -0.105 0.000 1.497 1416 A CA 0.543 52.554 52.037 -0.042 0.000 0.751 1416 A CB -1.943 17.045 19.000 -0.020 0.000 1.048 1416 A HN 0.600 nan 8.150 nan 0.000 0.464 1417 E N -1.333 118.841 120.200 -0.044 0.000 2.414 1417 E HA 0.270 4.624 4.350 0.007 0.000 0.263 1417 E C 0.013 176.492 176.600 -0.201 0.000 1.000 1417 E CA -0.110 56.241 56.400 -0.081 0.000 0.914 1417 E CB 0.588 30.288 29.700 0.001 0.000 0.948 1417 E HN 0.610 nan 8.360 nan 0.000 0.444 1418 L N 4.217 125.313 121.223 -0.212 0.000 2.262 1418 L HA 0.174 4.518 4.340 0.007 0.000 0.288 1418 L C -0.402 176.320 176.870 -0.246 0.000 1.035 1418 L CA -0.325 54.358 54.840 -0.261 0.000 0.820 1418 L CB 0.910 42.845 42.059 -0.207 0.000 1.204 1418 L HN 0.381 nan 8.230 nan 0.000 0.424 1419 D N 2.812 123.005 120.400 -0.346 0.000 2.312 1419 D HA -0.008 4.636 4.640 0.007 0.000 0.252 1419 D C 0.337 176.521 176.300 -0.194 0.000 1.150 1419 D CA 0.083 53.913 54.000 -0.284 0.000 0.870 1419 D CB 1.699 42.260 40.800 -0.398 0.000 1.153 1419 D HN 0.674 nan 8.370 nan 0.000 0.457 1420 D N 1.868 122.189 120.400 -0.132 0.000 2.183 1420 D HA -0.091 4.554 4.640 0.007 0.000 0.203 1420 D C 0.455 176.705 176.300 -0.083 0.000 0.969 1420 D CA 0.407 54.350 54.000 -0.095 0.000 0.842 1420 D CB -0.011 40.748 40.800 -0.068 0.000 0.957 1420 D HN 0.528 nan 8.370 nan 0.000 0.484 1421 C N 0.675 119.924 119.300 -0.085 0.000 4.209 1421 C HA -0.140 4.325 4.460 0.007 0.000 0.305 1421 C C 1.041 176.000 174.990 -0.052 0.000 1.339 1421 C CA 0.138 59.115 59.018 -0.069 0.000 2.062 1421 C CB -1.707 25.989 27.740 -0.072 0.000 1.307 1421 C HN 0.401 nan 8.230 nan 0.000 0.706 1422 R N -0.573 119.898 120.500 -0.049 0.000 2.531 1422 R HA 0.234 4.578 4.340 0.007 0.000 0.316 1422 R C 0.990 177.259 176.300 -0.050 0.000 0.955 1422 R CA 0.767 56.841 56.100 -0.042 0.000 1.120 1422 R CB 0.273 30.555 30.300 -0.030 0.000 1.361 1422 R HN 0.608 nan 8.270 nan 0.000 0.534 1423 G N 0.126 108.894 108.800 -0.052 0.000 2.535 1423 G HA2 0.353 4.317 3.960 0.007 0.000 0.303 1423 G HA3 0.353 4.317 3.960 0.007 0.000 0.303 1423 G C 1.058 175.923 174.900 -0.058 0.000 1.237 1423 G CA -0.524 44.541 45.100 -0.058 0.000 0.986 1423 G HN -0.160 nan 8.290 nan 0.000 0.494 1424 V N 0.314 120.191 119.914 -0.061 0.000 2.227 1424 V HA -0.159 3.965 4.120 0.007 0.000 0.238 1424 V C 3.053 179.124 176.094 -0.037 0.000 1.039 1424 V CA 2.371 64.637 62.300 -0.057 0.000 0.990 1424 V CB -1.083 30.703 31.823 -0.061 0.000 0.635 1424 V HN 0.664 nan 8.190 nan 0.000 0.453 1425 S N -0.347 115.338 115.700 -0.025 0.000 2.423 1425 S HA -0.292 4.182 4.470 0.007 0.000 0.238 1425 S C 1.871 176.469 174.600 -0.004 0.000 1.028 1425 S CA 1.948 60.143 58.200 -0.007 0.000 1.000 1425 S CB -0.458 62.748 63.200 0.010 0.000 0.797 1425 S HN 0.678 nan 8.310 nan 0.000 0.487 1426 E N 1.129 121.321 120.200 -0.013 0.000 2.106 1426 E HA -0.032 4.322 4.350 0.007 0.000 0.192 1426 E C 1.764 178.356 176.600 -0.014 0.000 0.984 1426 E CA 0.762 57.154 56.400 -0.012 0.000 0.806 1426 E CB -0.048 29.633 29.700 -0.031 0.000 0.750 1426 E HN 0.375 nan 8.360 nan 0.000 0.458 1427 N N -0.085 118.602 118.700 -0.022 0.000 2.446 1427 N HA -0.038 4.706 4.740 0.007 0.000 0.179 1427 N C 1.532 177.033 175.510 -0.016 0.000 1.054 1427 N CA 0.392 53.428 53.050 -0.023 0.000 0.905 1427 N CB 0.536 39.003 38.487 -0.034 0.000 0.973 1427 N HN 0.025 nan 8.380 nan 0.000 0.448 1428 V N 1.237 121.144 119.914 -0.013 0.000 2.488 1428 V HA -0.064 4.060 4.120 0.007 0.000 0.246 1428 V C 2.197 178.293 176.094 0.003 0.000 1.046 1428 V CA 0.890 63.186 62.300 -0.008 0.000 1.053 1428 V CB -0.122 31.696 31.823 -0.009 0.000 0.679 1428 V HN 0.159 nan 8.190 nan 0.000 0.458 1429 I N -0.293 120.282 120.570 0.009 0.000 2.202 1429 I HA -0.206 3.968 4.170 0.007 0.000 0.242 1429 I C 2.006 178.135 176.117 0.020 0.000 1.091 1429 I CA 1.618 62.930 61.300 0.019 0.000 1.368 1429 I CB -0.174 37.844 38.000 0.030 0.000 1.058 1429 I HN 0.227 nan 8.210 nan 0.000 0.410 1430 L N 0.667 121.899 121.223 0.014 0.000 2.610 1430 L HA 0.158 4.502 4.340 0.007 0.000 0.232 1430 L C 1.121 177.998 176.870 0.010 0.000 1.149 1430 L CA 0.239 55.088 54.840 0.014 0.000 0.872 1430 L CB -0.715 41.348 42.059 0.007 0.000 0.992 1430 L HN 0.436 nan 8.230 nan 0.000 0.447 1431 G N 1.061 109.865 108.800 0.007 0.000 2.367 1431 G HA2 -0.255 3.709 3.960 0.007 0.000 0.295 1431 G HA3 -0.255 3.709 3.960 0.007 0.000 0.295 1431 G C -0.186 174.714 174.900 0.001 0.000 1.019 1431 G CA 0.112 45.215 45.100 0.005 0.000 1.224 1431 G HN 0.468 nan 8.290 nan 0.000 0.510 1432 Q N -0.360 119.436 119.800 -0.007 0.000 2.544 1432 Q HA 0.570 4.914 4.340 0.007 0.000 0.291 1432 Q C 0.447 176.435 176.000 -0.020 0.000 1.068 1432 Q CA -1.373 54.424 55.803 -0.010 0.000 0.785 1432 Q CB 0.913 29.645 28.738 -0.011 0.000 1.481 1432 Q HN 0.254 nan 8.270 nan 0.000 0.430 1433 M N 1.865 121.452 119.600 -0.022 0.000 2.802 1433 M HA 0.076 4.560 4.480 0.007 0.000 0.335 1433 M C -0.516 175.754 176.300 -0.050 0.000 1.744 1433 M CA 0.369 55.648 55.300 -0.035 0.000 1.363 1433 M CB -0.972 31.610 32.600 -0.029 0.000 1.965 1433 M HN 0.673 nan 8.290 nan 0.000 0.460 1434 A N 7.467 130.252 122.820 -0.059 0.000 2.409 1434 A HA 0.429 4.753 4.320 0.007 0.000 0.262 1434 A C -1.856 175.669 177.584 -0.099 0.000 1.113 1434 A CA -1.188 50.806 52.037 -0.070 0.000 0.790 1434 A CB -0.277 18.683 19.000 -0.067 0.000 1.046 1434 A HN 0.540 nan 8.150 nan 0.000 0.496 1435 P HA 0.138 nan 4.420 nan 0.000 0.235 1435 P C -0.929 176.272 177.300 -0.164 0.000 1.670 1435 P CA 0.902 63.927 63.100 -0.125 0.000 1.017 1435 P CB -0.574 31.070 31.700 -0.092 0.000 1.945 1436 I N -0.439 120.022 120.570 -0.181 0.000 2.533 1436 I HA 0.344 4.519 4.170 0.007 0.000 0.290 1436 I C 1.488 177.472 176.117 -0.221 0.000 1.056 1436 I CA -0.566 60.622 61.300 -0.187 0.000 1.057 1436 I CB 1.824 39.739 38.000 -0.142 0.000 1.240 1436 I HN 0.248 nan 8.210 nan 0.000 0.423 1437 G N 4.116 112.779 108.800 -0.228 0.000 2.674 1437 G HA2 -0.425 3.539 3.960 0.007 0.000 0.367 1437 G HA3 -0.425 3.539 3.960 0.007 0.000 0.367 1437 G C 1.100 175.793 174.900 -0.346 0.000 1.087 1437 G CA 1.615 46.580 45.100 -0.225 0.000 0.898 1437 G HN 0.550 nan 8.290 nan 0.000 0.652 1438 T N 1.082 115.472 114.554 -0.274 0.000 2.653 1438 T HA -0.136 4.218 4.350 0.007 0.000 0.267 1438 T C 2.154 176.510 174.700 -0.573 0.000 1.037 1438 T CA 2.741 64.642 62.100 -0.330 0.000 1.159 1438 T CB -0.714 68.064 68.868 -0.149 0.000 0.859 1438 T HN 1.323 nan 8.240 nan 0.000 0.449 1439 G N -0.414 108.144 108.800 -0.404 0.000 3.284 1439 G HA2 0.433 4.397 3.960 0.007 0.000 0.236 1439 G HA3 0.433 4.397 3.960 0.007 0.000 0.236 1439 G C 1.387 176.078 174.900 -0.349 0.000 1.158 1439 G CA 0.567 45.465 45.100 -0.336 0.000 0.774 1439 G HN 0.548 nan 8.290 nan 0.000 0.545 1440 A N 0.584 123.102 122.820 -0.502 0.000 1.930 1440 A HA 0.344 4.668 4.320 0.007 0.000 0.217 1440 A C 1.135 178.626 177.584 -0.155 0.000 1.175 1440 A CA 0.857 52.697 52.037 -0.328 0.000 0.627 1440 A CB -0.316 18.463 19.000 -0.368 0.000 0.815 1440 A HN 0.475 nan 8.150 nan 0.000 0.443 1441 F N -2.107 117.873 119.950 0.051 0.000 2.635 1441 F HA 0.816 5.347 4.527 0.007 0.000 0.362 1441 F C -0.632 175.207 175.800 0.065 0.000 1.182 1441 F CA -2.245 55.821 58.000 0.109 0.000 1.119 1441 F CB 0.099 39.208 39.000 0.182 0.000 1.713 1441 F HN -0.118 nan 8.300 nan 0.000 0.512 1442 D N -0.137 120.591 120.400 0.547 0.000 2.688 1442 D HA 0.361 5.005 4.640 0.007 0.000 0.210 1442 D C -1.420 175.003 176.300 0.204 0.000 1.333 1442 D CA -0.134 54.045 54.000 0.297 0.000 0.920 1442 D CB 2.164 43.060 40.800 0.160 0.000 1.554 1442 D HN 0.445 nan 8.370 nan 0.000 0.579 1443 V N 4.204 124.228 119.914 0.183 0.000 2.686 1443 V HA 0.513 4.637 4.120 0.007 0.000 0.295 1443 V C 0.783 176.913 176.094 0.060 0.000 1.055 1443 V CA 0.105 62.459 62.300 0.090 0.000 1.050 1443 V CB 1.049 32.925 31.823 0.090 0.000 0.984 1443 V HN 0.524 nan 8.190 nan 0.000 0.482 1444 M N 3.846 123.465 119.600 0.032 0.000 2.846 1444 M HA 0.625 5.110 4.480 0.007 0.000 0.282 1444 M C -1.262 175.046 176.300 0.014 0.000 1.266 1444 M CA -0.728 54.586 55.300 0.024 0.000 0.766 1444 M CB 2.145 34.758 32.600 0.020 0.000 1.739 1444 M HN 0.311 nan 8.290 nan 0.000 0.442 1445 I N 0.000 120.577 120.570 0.012 0.000 2.984 1445 I HA 0.000 4.174 4.170 0.007 0.000 0.288 1445 I CA 0.000 61.305 61.300 0.009 0.000 1.566 1445 I CB 0.000 38.008 38.000 0.013 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494