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 3hov_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSXXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.086 176.094 -0.014 0.000 1.182 2 V CA 0.000 62.291 62.300 -0.014 0.000 1.235 2 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 3 G N 1.062 109.853 108.800 -0.015 0.000 2.131 3 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.223 3 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.223 3 G C 0.118 175.011 174.900 -0.012 0.000 0.990 3 G CA 0.720 45.810 45.100 -0.016 0.000 0.671 3 G HN 1.340 nan 8.290 nan 0.000 0.521 4 Q N -1.061 118.735 119.800 -0.008 0.000 2.480 4 Q HA -0.193 4.147 4.340 -0.000 0.000 0.348 4 Q C 0.448 176.455 176.000 0.012 0.000 1.346 4 Q CA 1.758 57.561 55.803 0.001 0.000 0.458 4 Q CB -0.065 28.671 28.738 -0.004 0.000 2.523 4 Q HN 1.457 nan 8.270 nan 0.000 0.586 5 Q N -1.204 118.614 119.800 0.028 0.000 3.244 5 Q HA -0.235 4.105 4.340 -0.000 0.000 0.024 5 Q C -1.438 174.620 176.000 0.096 0.000 1.715 5 Q CA 0.347 56.183 55.803 0.056 0.000 0.237 5 Q CB -0.182 28.577 28.738 0.036 0.000 0.588 5 Q HN 0.513 nan 8.270 nan 0.000 0.322 6 Y N 2.331 122.625 120.300 -0.009 0.000 2.457 6 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 6 Y C -0.247 175.651 175.900 -0.004 0.000 1.240 6 Y CA 0.843 58.939 58.100 -0.007 0.000 1.437 6 Y CB 1.475 39.932 38.460 -0.005 0.000 1.328 6 Y HN 0.435 nan 8.280 nan 0.000 0.588 7 S N 2.383 117.531 115.700 -0.920 0.000 2.619 7 S HA 0.291 4.760 4.470 -0.000 0.000 0.280 7 S C 0.261 174.160 174.600 -1.169 0.000 1.150 7 S CA -0.181 57.544 58.200 -0.792 0.000 0.978 7 S CB 0.638 63.634 63.200 -0.340 0.000 1.041 7 S HN 0.851 nan 8.310 nan 0.000 0.485 8 S N 3.516 118.721 115.700 -0.824 0.000 2.515 8 S HA 0.182 4.652 4.470 -0.000 0.000 0.231 8 S C 0.980 175.466 174.600 -0.190 0.000 0.987 8 S CA 0.347 58.306 58.200 -0.402 0.000 0.936 8 S CB -0.438 62.694 63.200 -0.115 0.000 0.766 8 S HN 1.123 nan 8.310 nan 0.000 0.528 9 A N 4.147 126.850 122.820 -0.195 0.000 2.546 9 A HA 0.426 4.745 4.320 -0.000 0.000 0.243 9 A C -1.495 176.045 177.584 -0.073 0.000 1.063 9 A CA -1.159 50.816 52.037 -0.104 0.000 0.757 9 A CB -0.499 18.444 19.000 -0.095 0.000 0.991 9 A HN 0.452 nan 8.150 nan 0.000 0.503 10 P HA 0.142 nan 4.420 nan 0.000 0.266 10 P C -0.646 176.640 177.300 -0.023 0.000 1.195 10 P CA 0.095 63.185 63.100 -0.017 0.000 0.768 10 P CB 0.559 32.254 31.700 -0.009 0.000 0.838 11 L N 3.561 124.776 121.223 -0.013 0.000 2.298 11 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 11 L C -0.118 176.744 176.870 -0.013 0.000 1.013 11 L CA -0.552 54.279 54.840 -0.016 0.000 0.824 11 L CB 0.949 43.001 42.059 -0.012 0.000 1.221 11 L HN 0.328 nan 8.230 nan 0.000 0.418 12 R N 1.910 122.399 120.500 -0.019 0.000 2.960 12 R HA 0.660 5.000 4.340 -0.000 0.000 0.249 12 R C -0.521 175.764 176.300 -0.024 0.000 1.192 12 R CA -0.563 55.526 56.100 -0.019 0.000 1.035 12 R CB 1.754 32.042 30.300 -0.019 0.000 1.234 12 R HN 0.720 nan 8.270 nan 0.000 0.493 13 T N -2.291 112.248 114.554 -0.025 0.000 2.944 13 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 13 T C 0.065 174.743 174.700 -0.035 0.000 1.010 13 T CA -0.761 61.321 62.100 -0.030 0.000 1.025 13 T CB 1.325 70.176 68.868 -0.028 0.000 1.079 13 T HN 0.129 nan 8.240 nan 0.000 0.516 14 V N 3.328 123.217 119.914 -0.042 0.000 2.432 14 V HA 0.253 4.373 4.120 -0.000 0.000 0.271 14 V C 1.041 177.106 176.094 -0.049 0.000 1.046 14 V CA -0.479 61.788 62.300 -0.054 0.000 0.945 14 V CB 0.937 32.720 31.823 -0.066 0.000 0.992 14 V HN 0.862 nan 8.190 nan 0.000 0.471 15 K N 2.980 123.351 120.400 -0.049 0.000 2.244 15 K HA 0.272 4.592 4.320 -0.000 0.000 0.200 15 K C 0.380 176.952 176.600 -0.047 0.000 1.052 15 K CA 0.635 56.898 56.287 -0.039 0.000 0.980 15 K CB 0.635 33.117 32.500 -0.030 0.000 0.838 15 K HN 0.745 nan 8.250 nan 0.000 0.481 16 E N 0.117 120.275 120.200 -0.070 0.000 2.429 16 E HA 0.414 4.763 4.350 -0.000 0.000 0.276 16 E C -1.278 175.227 176.600 -0.157 0.000 0.953 16 E CA -0.856 55.490 56.400 -0.089 0.000 0.787 16 E CB 2.861 32.515 29.700 -0.078 0.000 1.307 16 E HN -0.297 nan 8.360 nan 0.000 0.458 17 V N 1.849 121.636 119.914 -0.211 0.000 2.443 17 V HA 0.230 4.350 4.120 -0.000 0.000 0.293 17 V C -0.648 175.141 176.094 -0.509 0.000 1.021 17 V CA -0.895 61.161 62.300 -0.408 0.000 0.848 17 V CB 1.423 32.955 31.823 -0.486 0.000 0.998 17 V HN 0.536 nan 8.190 nan 0.000 0.424 18 Q N 3.884 123.356 119.800 -0.546 0.000 2.390 18 Q HA 0.484 4.823 4.340 -0.000 0.000 0.249 18 Q C -0.961 174.648 176.000 -0.652 0.000 0.996 18 Q CA -0.183 55.291 55.803 -0.549 0.000 0.899 18 Q CB 0.904 29.246 28.738 -0.660 0.000 1.216 18 Q HN 0.618 nan 8.270 nan 0.000 0.465 19 F N 0.647 120.427 119.950 -0.283 0.000 2.389 19 F HA 0.631 5.157 4.527 -0.000 0.000 0.337 19 F C 1.310 176.953 175.800 -0.262 0.000 1.112 19 F CA 0.335 58.193 58.000 -0.236 0.000 1.192 19 F CB 1.514 40.430 39.000 -0.141 0.000 1.185 19 F HN 0.538 nan 8.300 nan 0.000 0.552 20 G N 1.881 110.659 108.800 -0.037 0.000 2.753 20 G HA2 0.704 4.664 3.960 -0.000 0.000 0.303 20 G HA3 0.704 4.664 3.960 -0.000 0.000 0.303 20 G C -1.926 172.938 174.900 -0.061 0.000 1.242 20 G CA -0.852 44.214 45.100 -0.056 0.000 0.810 20 G HN 0.486 nan 8.290 nan 0.000 0.515 21 L N -0.271 120.894 121.223 -0.097 0.000 2.409 21 L HA 0.517 4.857 4.340 -0.000 0.000 0.262 21 L C -1.090 175.550 176.870 -0.384 0.000 0.992 21 L CA -0.688 54.099 54.840 -0.088 0.000 0.817 21 L CB 2.754 44.876 42.059 0.104 0.000 1.350 21 L HN 0.445 nan 8.230 nan 0.000 0.411 22 F N 1.072 120.869 119.950 -0.256 0.000 2.456 22 F HA 0.154 4.680 4.527 -0.000 0.000 0.358 22 F C 1.001 176.348 175.800 -0.755 0.000 1.095 22 F CA 0.024 57.779 58.000 -0.409 0.000 1.216 22 F CB 1.359 40.252 39.000 -0.178 0.000 1.125 22 F HN 0.461 nan 8.300 nan 0.000 0.549 23 S N 5.228 120.460 115.700 -0.779 0.000 2.537 23 S HA 0.248 4.718 4.470 -0.000 0.000 0.275 23 S C -1.638 172.902 174.600 -0.100 0.000 1.272 23 S CA -1.351 56.342 58.200 -0.845 0.000 1.050 23 S CB 1.410 64.349 63.200 -0.436 0.000 0.961 23 S HN 0.479 nan 8.310 nan 0.000 0.496 24 P HA -0.165 nan 4.420 nan 0.000 0.218 24 P C 0.735 178.085 177.300 0.084 0.000 1.146 24 P CA 1.269 64.435 63.100 0.111 0.000 0.813 24 P CB 0.181 31.985 31.700 0.174 0.000 0.778 25 E N 0.493 120.760 120.200 0.111 0.000 2.031 25 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 25 E C 2.223 178.850 176.600 0.045 0.000 0.994 25 E CA 1.320 57.773 56.400 0.088 0.000 0.800 25 E CB -0.878 28.901 29.700 0.130 0.000 0.752 25 E HN 0.414 nan 8.360 nan 0.000 0.447 26 E N 0.324 120.559 120.200 0.058 0.000 2.038 26 E HA -0.206 4.143 4.350 -0.000 0.000 0.195 26 E C 1.980 178.596 176.600 0.027 0.000 1.000 26 E CA 1.639 58.088 56.400 0.082 0.000 0.803 26 E CB -0.024 29.773 29.700 0.163 0.000 0.750 26 E HN 0.062 nan 8.360 nan 0.000 0.448 27 V N 0.912 120.801 119.914 -0.042 0.000 2.317 27 V HA -0.328 3.792 4.120 -0.000 0.000 0.251 27 V C 2.592 178.575 176.094 -0.187 0.000 1.065 27 V CA 2.387 64.544 62.300 -0.238 0.000 1.049 27 V CB -0.663 31.022 31.823 -0.229 0.000 0.651 27 V HN 0.294 nan 8.190 nan 0.000 0.450 28 R N -0.168 120.234 120.500 -0.164 0.000 2.073 28 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 28 R C 2.379 178.544 176.300 -0.225 0.000 1.134 28 R CA 1.613 57.526 56.100 -0.312 0.000 0.952 28 R CB -0.591 29.612 30.300 -0.161 0.000 0.850 28 R HN 0.506 nan 8.270 nan 0.000 0.433 29 A N 1.023 123.784 122.820 -0.100 0.000 1.873 29 A HA -0.206 4.113 4.320 -0.000 0.000 0.218 29 A C 2.154 179.711 177.584 -0.045 0.000 1.193 29 A CA 1.918 53.924 52.037 -0.051 0.000 0.629 29 A CB -0.726 18.272 19.000 -0.004 0.000 0.826 29 A HN 0.379 nan 8.150 nan 0.000 0.447 30 I N -0.391 120.157 120.570 -0.037 0.000 2.179 30 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 30 I C 1.532 177.651 176.117 0.004 0.000 1.088 30 I CA 0.721 62.016 61.300 -0.010 0.000 1.357 30 I CB -0.714 37.272 38.000 -0.024 0.000 1.051 30 I HN 0.265 nan 8.210 nan 0.000 0.409 31 S N 1.131 116.813 115.700 -0.030 0.000 2.931 31 S HA -0.040 4.430 4.470 -0.000 0.000 0.342 31 S C 0.990 175.605 174.600 0.026 0.000 1.220 31 S CA 0.154 58.363 58.200 0.015 0.000 1.045 31 S CB 0.565 63.701 63.200 -0.108 0.000 0.758 31 S HN 0.295 nan 8.310 nan 0.000 0.508 32 V N 2.856 122.813 119.914 0.072 0.000 3.647 32 V HA 0.723 4.843 4.120 -0.000 0.000 0.279 32 V C 0.402 176.525 176.094 0.048 0.000 1.314 32 V CA 0.604 62.922 62.300 0.032 0.000 1.125 32 V CB -0.747 31.072 31.823 -0.006 0.000 0.907 32 V HN 0.993 nan 8.190 nan 0.000 0.434 33 A N 0.125 123.005 122.820 0.099 0.000 2.574 33 A HA 0.689 5.009 4.320 -0.000 0.000 0.297 33 A C 0.584 178.287 177.584 0.198 0.000 1.062 33 A CA -0.545 51.556 52.037 0.107 0.000 0.686 33 A CB 1.446 20.486 19.000 0.066 0.000 1.285 33 A HN -0.001 nan 8.150 nan 0.000 0.403 34 K N 1.171 121.660 120.400 0.148 0.000 2.031 34 K HA 0.115 4.435 4.320 -0.000 0.000 0.205 34 K C 0.414 176.992 176.600 -0.037 0.000 1.049 34 K CA 1.139 57.495 56.287 0.114 0.000 0.939 34 K CB -0.438 32.125 32.500 0.105 0.000 0.717 34 K HN 0.935 nan 8.250 nan 0.000 0.438 35 I N 1.749 122.335 120.570 0.027 0.000 8.033 35 I HA -0.311 3.859 4.170 -0.000 0.000 0.126 35 I C 0.579 176.712 176.117 0.028 0.000 1.834 35 I CA 0.285 61.600 61.300 0.025 0.000 2.071 35 I CB -0.367 37.615 38.000 -0.030 0.000 3.728 35 I HN 0.351 nan 8.210 nan 0.000 0.180 36 R N 3.181 123.795 120.500 0.190 0.000 2.412 36 R HA 0.276 4.615 4.340 -0.000 0.000 0.212 36 R C -0.286 175.990 176.300 -0.040 0.000 0.878 36 R CA 0.159 56.294 56.100 0.058 0.000 1.022 36 R CB 0.416 30.721 30.300 0.009 0.000 1.265 36 R HN 0.247 nan 8.270 nan 0.000 0.620 37 F N 2.811 122.736 119.950 -0.042 0.000 2.420 37 F HA 0.354 4.881 4.527 -0.000 0.000 0.342 37 F C -1.542 174.240 175.800 -0.031 0.000 1.113 37 F CA -3.298 54.683 58.000 -0.032 0.000 1.059 37 F CB 0.964 39.950 39.000 -0.024 0.000 1.128 37 F HN -0.205 nan 8.300 nan 0.000 0.475 38 P HA 0.010 nan 4.420 nan 0.000 0.253 38 P C -0.316 177.027 177.300 0.072 0.000 1.260 38 P CA 0.364 63.502 63.100 0.063 0.000 0.800 38 P CB 0.214 31.924 31.700 0.016 0.000 1.162 39 E N -0.366 119.898 120.200 0.107 0.000 2.366 39 E HA 0.129 4.479 4.350 -0.000 0.000 0.266 39 E C 1.380 178.014 176.600 0.057 0.000 1.051 39 E CA 0.222 56.666 56.400 0.074 0.000 0.884 39 E CB 0.242 29.986 29.700 0.074 0.000 1.006 39 E HN -0.078 nan 8.360 nan 0.000 0.417 40 T N 1.926 116.513 114.554 0.055 0.000 2.639 40 T HA -0.093 4.257 4.350 -0.000 0.000 0.261 40 T C 0.783 175.492 174.700 0.015 0.000 1.053 40 T CA 2.136 64.264 62.100 0.047 0.000 1.158 40 T CB -0.074 68.832 68.868 0.064 0.000 0.863 40 T HN 0.593 nan 8.240 nan 0.000 0.413 41 M N -1.444 118.163 119.600 0.011 0.000 1.473 41 M HA 0.416 4.896 4.480 -0.000 0.000 0.567 41 M C -1.453 174.839 176.300 -0.012 0.000 2.224 41 M CA -0.585 54.707 55.300 -0.013 0.000 0.539 41 M CB -0.185 32.404 32.600 -0.017 0.000 4.331 41 M HN -0.279 nan 8.290 nan 0.000 0.811 42 D N 3.389 123.784 120.400 -0.009 0.000 3.359 42 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 42 D C -0.757 175.533 176.300 -0.017 0.000 1.160 42 D CA 1.154 55.149 54.000 -0.007 0.000 1.008 42 D CB -0.195 40.609 40.800 0.006 0.000 0.809 42 D HN 0.696 nan 8.370 nan 0.000 0.387 43 E N 0.442 120.625 120.200 -0.030 0.000 2.030 43 E HA 0.066 4.415 4.350 -0.000 0.000 0.267 43 E C 0.015 176.600 176.600 -0.024 0.000 1.172 43 E CA 0.091 56.465 56.400 -0.042 0.000 1.080 43 E CB -0.589 29.082 29.700 -0.047 0.000 1.080 43 E HN 0.296 nan 8.360 nan 0.000 0.446 44 T N 2.311 116.856 114.554 -0.015 0.000 3.967 44 T HA -0.255 4.095 4.350 -0.000 0.000 0.366 44 T C 0.453 175.153 174.700 0.000 0.000 0.759 44 T CA 1.012 63.111 62.100 -0.002 0.000 1.971 44 T CB -1.567 67.300 68.868 -0.001 0.000 1.806 44 T HN 0.842 nan 8.240 nan 0.000 0.825 45 Q N -2.996 116.805 119.800 0.002 0.000 2.511 45 Q HA -0.158 4.182 4.340 -0.000 0.000 0.151 45 Q C 0.092 176.093 176.000 0.002 0.000 0.589 45 Q CA 1.688 57.494 55.803 0.004 0.000 1.260 45 Q CB -1.745 26.997 28.738 0.006 0.000 1.087 45 Q HN 0.722 nan 8.270 nan 0.000 1.060 46 T N 2.428 116.979 114.554 -0.004 0.000 2.799 46 T HA 0.239 4.588 4.350 -0.000 0.000 0.296 46 T C 0.147 174.843 174.700 -0.007 0.000 0.947 46 T CA -0.241 61.855 62.100 -0.006 0.000 1.141 46 T CB 0.462 69.324 68.868 -0.010 0.000 0.891 46 T HN 0.109 nan 8.240 nan 0.000 0.533 47 R N 2.430 122.928 120.500 -0.003 0.000 2.507 47 R HA 0.367 4.706 4.340 -0.000 0.000 0.341 47 R C 0.488 176.782 176.300 -0.011 0.000 0.960 47 R CA 0.011 56.109 56.100 -0.004 0.000 1.032 47 R CB -0.201 30.099 30.300 -0.001 0.000 0.933 47 R HN 0.836 nan 8.270 nan 0.000 0.418 48 A N 3.182 125.994 122.820 -0.015 0.000 5.813 48 A HA 0.407 4.727 4.320 -0.000 0.000 0.186 48 A C -1.429 176.139 177.584 -0.026 0.000 0.898 48 A CA -0.830 51.194 52.037 -0.022 0.000 0.822 48 A CB 0.994 19.979 19.000 -0.026 0.000 2.156 48 A HN 0.473 nan 8.150 nan 0.000 1.053 49 K N 0.571 120.949 120.400 -0.037 0.000 2.507 49 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 49 K C -1.342 175.215 176.600 -0.072 0.000 0.943 49 K CA -0.337 55.923 56.287 -0.044 0.000 0.794 49 K CB 2.173 34.650 32.500 -0.039 0.000 1.188 49 K HN 0.534 nan 8.250 nan 0.000 0.428 50 I N 1.422 121.938 120.570 -0.089 0.000 2.634 50 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 50 I C 1.478 177.479 176.117 -0.193 0.000 1.124 50 I CA 0.206 61.407 61.300 -0.165 0.000 1.417 50 I CB 0.891 38.772 38.000 -0.198 0.000 1.396 50 I HN 0.888 nan 8.210 nan 0.000 0.571 51 G N 4.410 113.058 108.800 -0.253 0.000 3.337 51 G HA2 0.130 4.090 3.960 -0.000 0.000 0.226 51 G HA3 0.130 4.090 3.960 -0.000 0.000 0.226 51 G C 0.854 175.598 174.900 -0.261 0.000 1.295 51 G CA 0.464 45.439 45.100 -0.209 0.000 1.427 51 G HN 0.955 nan 8.290 nan 0.000 0.535 52 G N -0.459 108.189 108.800 -0.253 0.000 2.732 52 G HA2 0.402 4.362 3.960 -0.000 0.000 0.206 52 G HA3 0.402 4.362 3.960 -0.000 0.000 0.206 52 G C 0.330 175.260 174.900 0.050 0.000 1.253 52 G CA -0.145 44.917 45.100 -0.064 0.000 0.796 52 G HN 0.383 nan 8.290 nan 0.000 0.616 53 L N 0.478 121.715 121.223 0.023 0.000 2.299 53 L HA 0.425 4.765 4.340 -0.000 0.000 0.268 53 L C -0.346 176.518 176.870 -0.009 0.000 1.012 53 L CA -0.840 54.010 54.840 0.017 0.000 0.816 53 L CB 1.482 43.560 42.059 0.031 0.000 1.355 53 L HN 0.578 nan 8.230 nan 0.000 0.457 54 N N 1.241 119.932 118.700 -0.016 0.000 2.117 54 N HA -0.267 4.472 4.740 -0.000 0.000 0.364 54 N C -0.453 175.042 175.510 -0.024 0.000 1.148 54 N CA 1.334 54.369 53.050 -0.025 0.000 0.752 54 N CB -0.670 37.799 38.487 -0.029 0.000 0.995 54 N HN 0.754 nan 8.380 nan 0.000 0.561 55 D N 0.196 120.584 120.400 -0.020 0.000 2.872 55 D HA -0.091 4.549 4.640 -0.000 0.000 0.248 55 D C -2.258 174.029 176.300 -0.022 0.000 1.104 55 D CA 0.493 54.485 54.000 -0.013 0.000 0.784 55 D CB -0.296 40.497 40.800 -0.012 0.000 1.036 55 D HN 0.628 nan 8.370 nan 0.000 0.426 56 P HA 0.315 nan 4.420 nan 0.000 0.254 56 P C 0.092 177.385 177.300 -0.012 0.000 1.494 56 P CA 0.069 63.151 63.100 -0.029 0.000 0.961 56 P CB 0.432 32.122 31.700 -0.017 0.000 1.493 57 R N -4.343 116.154 120.500 -0.005 0.000 1.635 57 R HA -0.015 4.324 4.340 -0.000 0.000 0.380 57 R C 0.646 176.961 176.300 0.025 0.000 0.220 57 R CA -0.038 56.062 56.100 -0.001 0.000 1.415 57 R CB -1.501 28.792 30.300 -0.011 0.000 1.854 57 R HN 0.088 nan 8.270 nan 0.000 0.218 58 L N 0.177 121.427 121.223 0.044 0.000 2.356 58 L HA 0.194 4.534 4.340 -0.000 0.000 0.165 58 L C 1.936 178.878 176.870 0.121 0.000 0.926 58 L CA 0.655 55.552 54.840 0.095 0.000 1.088 58 L CB -0.509 41.568 42.059 0.030 0.000 1.518 58 L HN 0.195 nan 8.230 nan 0.000 0.470 59 G N -1.042 107.809 108.800 0.085 0.000 2.443 59 G HA2 0.195 4.155 3.960 -0.000 0.000 0.286 59 G HA3 0.195 4.155 3.960 -0.000 0.000 0.286 59 G C -0.115 174.803 174.900 0.030 0.000 1.393 59 G CA 0.071 45.205 45.100 0.056 0.000 1.080 59 G HN 0.512 nan 8.290 nan 0.000 0.566 60 S N -2.514 113.190 115.700 0.006 0.000 2.806 60 S HA 0.777 5.246 4.470 -0.000 0.000 0.315 60 S C 0.177 174.764 174.600 -0.022 0.000 1.127 60 S CA -0.823 57.374 58.200 -0.005 0.000 0.918 60 S CB 1.082 64.282 63.200 0.000 0.000 1.240 60 S HN 0.422 nan 8.310 nan 0.000 0.552 61 I N -0.391 120.164 120.570 -0.025 0.000 4.192 61 I HA 0.326 4.496 4.170 -0.000 0.000 0.170 61 I C -0.620 175.477 176.117 -0.033 0.000 0.593 61 I CA -0.831 60.448 61.300 -0.035 0.000 2.365 61 I CB 0.033 38.011 38.000 -0.037 0.000 1.194 61 I HN 0.570 nan 8.210 nan 0.000 0.418 62 D N 3.452 123.831 120.400 -0.035 0.000 8.139 62 D HA -0.187 4.453 4.640 -0.000 0.000 0.164 62 D C -0.037 176.247 176.300 -0.027 0.000 1.327 62 D CA 0.539 54.521 54.000 -0.031 0.000 0.890 62 D CB -0.118 40.667 40.800 -0.025 0.000 1.703 62 D HN 0.283 nan 8.370 nan 0.000 0.970 63 R N 1.985 122.467 120.500 -0.029 0.000 1.568 63 R HA -0.236 4.104 4.340 -0.000 0.000 0.169 63 R C -0.148 176.141 176.300 -0.019 0.000 0.451 63 R CA 0.336 56.421 56.100 -0.025 0.000 0.345 63 R CB -0.945 29.340 30.300 -0.025 0.000 1.666 63 R HN 0.281 nan 8.270 nan 0.000 0.572 64 N N 1.360 120.050 118.700 -0.016 0.000 2.607 64 N HA 0.150 4.889 4.740 -0.000 0.000 0.271 64 N C 0.833 176.338 175.510 -0.007 0.000 1.142 64 N CA -0.453 52.590 53.050 -0.012 0.000 0.810 64 N CB 0.881 39.360 38.487 -0.013 0.000 1.306 64 N HN 0.203 nan 8.380 nan 0.000 0.536 65 L N 0.134 121.354 121.223 -0.005 0.000 2.151 65 L HA -0.265 4.074 4.340 -0.000 0.000 0.219 65 L C 1.523 178.396 176.870 0.005 0.000 1.083 65 L CA 1.288 56.128 54.840 0.000 0.000 0.782 65 L CB -0.488 41.571 42.059 -0.000 0.000 0.891 65 L HN 0.498 nan 8.230 nan 0.000 0.439 66 K N 0.420 120.821 120.400 0.001 0.000 2.611 66 K HA -0.166 4.154 4.320 -0.000 0.000 0.280 66 K C -0.141 176.465 176.600 0.010 0.000 0.964 66 K CA 1.015 57.303 56.287 0.001 0.000 1.029 66 K CB 0.420 32.917 32.500 -0.005 0.000 0.862 66 K HN 0.346 nan 8.250 nan 0.000 0.501 67 C N 4.476 123.784 119.300 0.013 0.000 2.158 67 C HA 0.044 4.504 4.460 -0.000 0.000 0.324 67 C C -1.375 173.619 174.990 0.006 0.000 0.779 67 C CA 0.143 59.180 59.018 0.032 0.000 0.553 67 C CB -1.736 26.044 27.740 0.066 0.000 1.373 67 C HN 1.034 nan 8.230 nan 0.000 0.782 68 Q N 1.169 120.960 119.800 -0.015 0.000 2.434 68 Q HA -0.182 4.157 4.340 -0.000 0.000 0.366 68 Q C 0.736 176.711 176.000 -0.041 0.000 1.398 68 Q CA 1.756 57.536 55.803 -0.039 0.000 1.074 68 Q CB -2.343 26.353 28.738 -0.070 0.000 1.236 68 Q HN 1.349 nan 8.270 nan 0.000 0.329 69 T N -1.758 112.782 114.554 -0.022 0.000 12.320 69 T HA -0.509 3.840 4.350 -0.000 0.000 0.419 69 T C 1.724 176.420 174.700 -0.006 0.000 1.443 69 T CA 3.251 65.342 62.100 -0.015 0.000 2.389 69 T CB -1.956 66.900 68.868 -0.020 0.000 2.854 69 T HN 1.439 nan 8.240 nan 0.000 0.830 70 C N 3.764 123.057 119.300 -0.011 0.000 2.413 70 C HA -0.338 4.122 4.460 -0.000 0.000 0.270 70 C C 2.019 177.029 174.990 0.034 0.000 1.099 70 C CA 2.909 61.938 59.018 0.019 0.000 1.888 70 C CB -1.729 26.040 27.740 0.047 0.000 2.255 70 C HN 0.813 nan 8.230 nan 0.000 0.463 71 Q N -1.743 118.073 119.800 0.026 0.000 2.146 71 Q HA -0.378 3.962 4.340 -0.000 0.000 0.412 71 Q C 1.109 177.124 176.000 0.025 0.000 0.668 71 Q CA 2.591 58.407 55.803 0.021 0.000 0.931 71 Q CB -1.362 27.383 28.738 0.011 0.000 2.824 71 Q HN 0.820 nan 8.270 nan 0.000 0.873 72 E N -1.565 118.645 120.200 0.017 0.000 5.006 72 E HA -0.287 4.062 4.350 -0.000 0.000 0.214 72 E C 0.678 177.281 176.600 0.006 0.000 0.970 72 E CA 2.845 59.253 56.400 0.013 0.000 1.705 72 E CB -1.686 28.025 29.700 0.018 0.000 1.789 72 E HN 1.299 nan 8.360 nan 0.000 0.384 73 G N -0.398 108.407 108.800 0.008 0.000 2.712 73 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.686 73 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.686 73 G C 0.836 175.733 174.900 -0.006 0.000 1.321 73 G CA 0.264 45.364 45.100 -0.001 0.000 0.813 73 G HN 0.074 nan 8.290 nan 0.000 0.599 74 M N 0.327 119.919 119.600 -0.013 0.000 2.128 74 M HA -0.167 4.312 4.480 -0.000 0.000 0.253 74 M C 1.516 177.801 176.300 -0.025 0.000 1.079 74 M CA 2.106 57.393 55.300 -0.021 0.000 1.082 74 M CB -0.216 32.368 32.600 -0.027 0.000 1.335 74 M HN 0.611 nan 8.290 nan 0.000 0.401 75 N N 0.196 118.883 118.700 -0.022 0.000 2.462 75 N HA 0.096 4.836 4.740 -0.000 0.000 0.242 75 N C 0.035 175.534 175.510 -0.019 0.000 1.010 75 N CA 0.416 53.452 53.050 -0.023 0.000 0.939 75 N CB 1.151 39.624 38.487 -0.022 0.000 1.127 75 N HN 0.246 nan 8.380 nan 0.000 0.509 76 E N 1.883 122.070 120.200 -0.022 0.000 1.739 76 E HA -0.135 4.214 4.350 -0.000 0.000 0.197 76 E C -1.131 175.456 176.600 -0.023 0.000 0.719 76 E CA -0.068 56.321 56.400 -0.018 0.000 1.551 76 E CB -1.089 28.606 29.700 -0.008 0.000 4.431 76 E HN 0.443 nan 8.360 nan 0.000 0.638 77 C N 5.217 124.503 119.300 -0.024 0.000 2.416 77 C HA 0.567 5.027 4.460 -0.000 0.000 0.355 77 C C -1.647 173.280 174.990 -0.106 0.000 1.211 77 C CA -1.280 57.713 59.018 -0.042 0.000 1.699 77 C CB -0.502 27.235 27.740 -0.005 0.000 2.310 77 C HN 0.345 nan 8.230 nan 0.000 0.539 78 P HA 0.295 nan 4.420 nan 0.000 0.286 78 P C 0.344 177.485 177.300 -0.265 0.000 1.293 78 P CA 0.166 63.178 63.100 -0.146 0.000 0.770 78 P CB 0.525 32.156 31.700 -0.115 0.000 1.206 79 G N -0.868 107.825 108.800 -0.180 0.000 2.651 79 G HA2 0.224 4.184 3.960 -0.000 0.000 0.260 79 G HA3 0.224 4.184 3.960 -0.000 0.000 0.260 79 G C -0.614 174.093 174.900 -0.323 0.000 1.216 79 G CA -0.148 44.833 45.100 -0.198 0.000 0.913 79 G HN 0.591 nan 8.290 nan 0.000 0.535 80 H N -0.256 118.858 119.070 0.074 0.000 2.906 80 H HA 0.272 4.828 4.556 -0.000 0.000 0.324 80 H C -0.637 174.767 175.328 0.127 0.000 0.973 80 H CA -0.830 55.290 56.048 0.120 0.000 1.321 80 H CB 0.983 30.782 29.762 0.061 0.000 1.535 80 H HN 0.236 nan 8.280 nan 0.000 0.518 81 F N 1.186 121.201 119.950 0.110 0.000 2.545 81 F HA 0.331 4.858 4.527 -0.000 0.000 0.348 81 F C 1.506 177.341 175.800 0.058 0.000 1.163 81 F CA 1.076 59.108 58.000 0.054 0.000 1.331 81 F CB 0.776 39.779 39.000 0.005 0.000 1.138 81 F HN 0.561 nan 8.300 nan 0.000 0.602 82 G N 0.191 109.077 108.800 0.144 0.000 3.105 82 G HA2 0.645 4.605 3.960 -0.000 0.000 0.277 82 G HA3 0.645 4.605 3.960 -0.000 0.000 0.277 82 G C -1.727 173.311 174.900 0.230 0.000 1.375 82 G CA -0.620 44.574 45.100 0.156 0.000 0.962 82 G HN 0.874 nan 8.290 nan 0.000 0.541 83 H N -2.866 116.219 119.070 0.023 0.000 2.960 83 H HA 0.761 5.317 4.556 -0.000 0.000 0.323 83 H C -1.714 173.616 175.328 0.004 0.000 1.326 83 H CA -1.127 54.930 56.048 0.014 0.000 1.124 83 H CB 1.887 31.655 29.762 0.011 0.000 1.853 83 H HN 0.460 nan 8.280 nan 0.000 0.536 84 I N 1.852 122.275 120.570 -0.244 0.000 2.534 84 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 84 I C -1.203 174.825 176.117 -0.147 0.000 1.094 84 I CA -0.768 60.371 61.300 -0.268 0.000 1.055 84 I CB 1.907 39.827 38.000 -0.133 0.000 1.225 84 I HN 0.633 nan 8.210 nan 0.000 0.435 85 D N 8.269 128.568 120.400 -0.169 0.000 2.344 85 D HA 0.263 4.903 4.640 -0.000 0.000 0.253 85 D C 0.240 176.526 176.300 -0.023 0.000 1.255 85 D CA -0.002 53.985 54.000 -0.022 0.000 0.894 85 D CB 1.196 41.998 40.800 0.004 0.000 1.067 85 D HN 0.306 nan 8.370 nan 0.000 0.492 86 L N 1.255 122.482 121.223 0.007 0.000 2.473 86 L HA 0.071 4.411 4.340 -0.000 0.000 0.268 86 L C 1.788 178.662 176.870 0.007 0.000 1.215 86 L CA -0.404 54.438 54.840 0.003 0.000 0.823 86 L CB 0.484 42.557 42.059 0.023 0.000 1.099 86 L HN 0.371 nan 8.230 nan 0.000 0.483 87 A N 2.082 124.902 122.820 -0.001 0.000 1.970 87 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 87 A C 0.782 178.375 177.584 0.016 0.000 1.170 87 A CA 1.113 53.151 52.037 0.003 0.000 0.645 87 A CB 0.093 19.089 19.000 -0.007 0.000 0.816 87 A HN 0.721 nan 8.150 nan 0.000 0.447 88 K N -0.637 119.773 120.400 0.017 0.000 2.527 88 K HA 0.361 4.680 4.320 -0.000 0.000 0.260 88 K C -3.182 173.434 176.600 0.026 0.000 0.937 88 K CA -2.075 54.225 56.287 0.021 0.000 0.826 88 K CB 2.497 35.002 32.500 0.009 0.000 1.359 88 K HN -0.041 nan 8.250 nan 0.000 0.434 89 P HA 0.043 nan 4.420 nan 0.000 0.268 89 P C -0.511 176.796 177.300 0.011 0.000 1.205 89 P CA -0.267 62.870 63.100 0.061 0.000 0.771 89 P CB 0.796 32.553 31.700 0.095 0.000 0.858 90 V N 0.342 120.279 119.914 0.038 0.000 2.962 90 V HA 0.543 4.663 4.120 -0.000 0.000 0.313 90 V C -0.081 176.094 176.094 0.135 0.000 1.099 90 V CA -1.071 61.218 62.300 -0.018 0.000 0.971 90 V CB 1.306 33.138 31.823 0.014 0.000 1.028 90 V HN 0.163 nan 8.190 nan 0.000 0.430 91 F N 1.462 121.483 119.950 0.119 0.000 2.456 91 F HA 0.409 4.936 4.527 -0.000 0.000 0.306 91 F C 0.881 176.756 175.800 0.126 0.000 1.278 91 F CA -0.062 58.024 58.000 0.143 0.000 1.264 91 F CB -0.086 38.995 39.000 0.135 0.000 1.253 91 F HN 0.807 nan 8.300 nan 0.000 0.554 92 H N 1.142 120.348 119.070 0.226 0.000 2.718 92 H HA 0.292 4.848 4.556 -0.000 0.000 0.295 92 H C 0.786 176.028 175.328 -0.143 0.000 1.051 92 H CA -0.465 55.562 56.048 -0.036 0.000 1.260 92 H CB 0.797 30.446 29.762 -0.188 0.000 1.403 92 H HN 0.372 nan 8.280 nan 0.000 0.488 93 V N 3.874 123.773 119.914 -0.026 0.000 2.352 93 V HA -0.361 3.758 4.120 -0.000 0.000 0.263 93 V C 2.350 178.452 176.094 0.013 0.000 1.103 93 V CA 2.372 64.680 62.300 0.013 0.000 1.099 93 V CB -1.221 30.579 31.823 -0.038 0.000 0.685 93 V HN 0.744 nan 8.190 nan 0.000 0.455 94 G N -1.668 107.090 108.800 -0.069 0.000 2.494 94 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.216 94 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.216 94 G C 1.332 176.092 174.900 -0.233 0.000 1.140 94 G CA 0.458 45.387 45.100 -0.285 0.000 0.801 94 G HN 0.584 nan 8.290 nan 0.000 0.536 95 F N -0.111 119.730 119.950 -0.182 0.000 2.714 95 F HA 0.306 4.833 4.527 -0.000 0.000 0.294 95 F C 2.290 177.992 175.800 -0.163 0.000 1.120 95 F CA -0.695 57.172 58.000 -0.222 0.000 1.398 95 F CB 0.133 38.954 39.000 -0.299 0.000 1.120 95 F HN -0.013 nan 8.300 nan 0.000 0.589 96 I N 1.122 121.701 120.570 0.015 0.000 2.141 96 I HA -0.485 3.685 4.170 -0.000 0.000 0.243 96 I C 2.783 178.840 176.117 -0.099 0.000 1.035 96 I CA 1.635 62.843 61.300 -0.153 0.000 1.302 96 I CB -0.571 37.388 38.000 -0.068 0.000 1.006 96 I HN 0.196 nan 8.210 nan 0.000 0.413 97 A N 0.124 122.931 122.820 -0.021 0.000 1.903 97 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 97 A C 2.344 179.912 177.584 -0.026 0.000 1.191 97 A CA 2.534 54.559 52.037 -0.019 0.000 0.638 97 A CB -0.645 18.349 19.000 -0.009 0.000 0.823 97 A HN 0.443 nan 8.150 nan 0.000 0.451 98 K N -0.538 119.850 120.400 -0.019 0.000 2.062 98 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 98 K C 1.818 178.452 176.600 0.056 0.000 1.051 98 K CA 1.174 57.455 56.287 -0.012 0.000 0.941 98 K CB -0.315 32.100 32.500 -0.142 0.000 0.719 98 K HN 0.523 nan 8.250 nan 0.000 0.440 99 I N 1.403 121.967 120.570 -0.010 0.000 2.151 99 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 99 I C 2.548 178.784 176.117 0.198 0.000 1.080 99 I CA 1.519 62.841 61.300 0.037 0.000 1.339 99 I CB -0.389 37.510 38.000 -0.168 0.000 1.039 99 I HN 0.254 nan 8.210 nan 0.000 0.409 100 K N 1.694 122.125 120.400 0.051 0.000 1.991 100 K HA -0.221 4.098 4.320 -0.000 0.000 0.212 100 K C 2.180 178.892 176.600 0.186 0.000 1.049 100 K CA 1.667 58.009 56.287 0.092 0.000 0.932 100 K CB -0.090 32.437 32.500 0.044 0.000 0.717 100 K HN 0.151 nan 8.250 nan 0.000 0.441 101 K N 0.334 120.828 120.400 0.157 0.000 2.160 101 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 101 K C 1.977 178.791 176.600 0.358 0.000 1.047 101 K CA 1.499 57.896 56.287 0.184 0.000 0.930 101 K CB -0.054 32.338 32.500 -0.180 0.000 0.720 101 K HN 0.082 nan 8.250 nan 0.000 0.450 102 V N 0.623 120.794 119.914 0.428 0.000 2.453 102 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 102 V C 2.417 178.735 176.094 0.373 0.000 1.048 102 V CA 1.343 63.945 62.300 0.504 0.000 1.049 102 V CB -0.512 31.657 31.823 0.578 0.000 0.672 102 V HN 0.406 nan 8.190 nan 0.000 0.457 103 C N 0.552 120.027 119.300 0.293 0.000 2.413 103 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 103 C C 2.525 177.564 174.990 0.082 0.000 1.236 103 C CA 1.178 60.234 59.018 0.064 0.000 1.735 103 C CB -1.100 26.659 27.740 0.031 0.000 2.031 103 C HN 0.626 nan 8.230 nan 0.000 0.474 104 E N -0.853 119.444 120.200 0.161 0.000 2.515 104 E HA -0.132 4.217 4.350 -0.000 0.000 0.201 104 E C 1.621 178.268 176.600 0.079 0.000 1.071 104 E CA 0.582 57.055 56.400 0.121 0.000 0.880 104 E CB -0.132 29.717 29.700 0.248 0.000 0.828 104 E HN 0.709 nan 8.360 nan 0.000 0.540 105 C N -0.204 119.174 119.300 0.129 0.000 2.800 105 C HA 0.187 4.647 4.460 -0.000 0.000 0.379 105 C C 1.072 176.096 174.990 0.057 0.000 1.304 105 C CA -0.417 58.651 59.018 0.083 0.000 1.960 105 C CB 0.432 28.249 27.740 0.129 0.000 2.599 105 C HN 0.074 nan 8.230 nan 0.000 0.578 106 V N 0.108 120.061 119.914 0.065 0.000 3.096 106 V HA 0.376 4.496 4.120 -0.000 0.000 0.319 106 V C -0.078 176.024 176.094 0.013 0.000 1.082 106 V CA -0.646 61.678 62.300 0.039 0.000 1.022 106 V CB 1.523 33.367 31.823 0.036 0.000 1.103 106 V HN 0.458 nan 8.190 nan 0.000 0.455 107 C N 5.058 124.370 119.300 0.021 0.000 2.330 107 C HA 0.575 5.034 4.460 -0.000 0.000 0.344 107 C C 0.418 175.437 174.990 0.048 0.000 1.273 107 C CA -0.942 58.096 59.018 0.033 0.000 1.879 107 C CB -0.182 27.583 27.740 0.042 0.000 2.376 107 C HN 0.771 nan 8.230 nan 0.000 0.534 108 M N 5.208 124.851 119.600 0.071 0.000 2.113 108 M HA 0.213 4.693 4.480 -0.000 0.000 0.288 108 M C 1.399 177.814 176.300 0.193 0.000 1.225 108 M CA 0.813 56.170 55.300 0.095 0.000 1.148 108 M CB -0.521 32.180 32.600 0.169 0.000 1.388 108 M HN 1.067 nan 8.290 nan 0.000 0.469 109 H N -0.241 118.839 119.070 0.017 0.000 4.836 109 H HA -0.249 4.307 4.556 -0.000 0.000 0.067 109 H C 1.487 176.827 175.328 0.019 0.000 0.594 109 H CA 2.743 58.799 56.048 0.013 0.000 0.978 109 H CB -1.077 28.705 29.762 0.033 0.000 0.436 109 H HN 0.861 nan 8.280 nan 0.000 0.790 110 C N 0.419 119.890 119.300 0.284 0.000 2.487 110 C HA 0.690 5.150 4.460 -0.000 0.000 0.311 110 C C 1.884 176.967 174.990 0.155 0.000 1.367 110 C CA 1.189 60.341 59.018 0.224 0.000 1.865 110 C CB 0.186 28.041 27.740 0.193 0.000 2.277 110 C HN 1.602 nan 8.230 nan 0.000 0.521 111 G N 1.436 110.299 108.800 0.105 0.000 2.207 111 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 111 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 111 G C -0.362 174.572 174.900 0.056 0.000 1.053 111 G CA 0.371 45.521 45.100 0.084 0.000 0.764 111 G HN 0.920 nan 8.290 nan 0.000 0.495 112 K N -0.044 120.384 120.400 0.047 0.000 2.318 112 K HA 0.699 5.019 4.320 -0.000 0.000 0.249 112 K C 0.756 177.374 176.600 0.029 0.000 0.942 112 K CA -1.085 55.219 56.287 0.028 0.000 0.808 112 K CB 1.296 33.812 32.500 0.026 0.000 1.189 112 K HN 0.128 nan 8.250 nan 0.000 0.428 113 L N 4.006 125.243 121.223 0.024 0.000 2.499 113 L HA -0.032 4.308 4.340 -0.000 0.000 0.281 113 L C 1.015 177.894 176.870 0.016 0.000 1.234 113 L CA 0.161 55.017 54.840 0.026 0.000 0.839 113 L CB 0.438 42.510 42.059 0.022 0.000 1.104 113 L HN 0.699 nan 8.230 nan 0.000 0.500 114 L N 4.567 125.796 121.223 0.008 0.000 2.612 114 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 114 L C -0.272 176.596 176.870 -0.004 0.000 1.140 114 L CA 0.244 55.083 54.840 -0.001 0.000 0.896 114 L CB -0.284 41.765 42.059 -0.017 0.000 1.065 114 L HN 0.442 nan 8.230 nan 0.000 0.447 115 L N -0.691 120.530 121.223 -0.002 0.000 2.588 115 L HA 0.376 4.715 4.340 -0.000 0.000 0.263 115 L C -1.037 175.823 176.870 -0.016 0.000 0.935 115 L CA -0.494 54.345 54.840 -0.003 0.000 0.891 115 L CB 2.724 44.775 42.059 -0.014 0.000 1.318 115 L HN -0.087 nan 8.230 nan 0.000 0.409 116 D N 0.996 121.380 120.400 -0.026 0.000 2.567 116 D HA 0.195 4.834 4.640 -0.000 0.000 0.275 116 D C 0.359 176.571 176.300 -0.147 0.000 1.195 116 D CA -0.383 53.538 54.000 -0.132 0.000 1.087 116 D CB 1.169 41.798 40.800 -0.286 0.000 1.165 116 D HN 0.510 nan 8.370 nan 0.000 0.609 117 E N -0.382 119.652 120.200 -0.277 0.000 2.478 117 E HA -0.090 4.260 4.350 -0.000 0.000 0.198 117 E C 1.416 177.963 176.600 -0.088 0.000 1.046 117 E CA 0.687 56.987 56.400 -0.165 0.000 0.870 117 E CB -0.143 29.453 29.700 -0.173 0.000 0.818 117 E HN 0.320 nan 8.360 nan 0.000 0.527 118 H N 0.078 119.147 119.070 -0.001 0.000 2.457 118 H HA 0.025 4.580 4.556 -0.000 0.000 0.294 118 H C 0.660 175.985 175.328 -0.005 0.000 1.064 118 H CA 0.734 56.780 56.048 -0.003 0.000 1.330 118 H CB -0.060 29.699 29.762 -0.005 0.000 1.395 118 H HN 0.069 nan 8.280 nan 0.000 0.541 119 N N 1.241 119.992 118.700 0.085 0.000 2.419 119 N HA -0.039 4.701 4.740 -0.000 0.000 0.277 119 N C 1.008 176.531 175.510 0.023 0.000 1.006 119 N CA 0.020 53.096 53.050 0.044 0.000 0.923 119 N CB 2.008 40.508 38.487 0.022 0.000 1.140 119 N HN 0.279 nan 8.380 nan 0.000 0.488 120 E N 4.005 124.218 120.200 0.022 0.000 2.028 120 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 120 E C 1.598 178.202 176.600 0.008 0.000 0.984 120 E CA 0.416 56.825 56.400 0.015 0.000 0.800 120 E CB 0.078 29.787 29.700 0.016 0.000 0.758 120 E HN 0.650 nan 8.360 nan 0.000 0.448 121 L N 0.603 121.829 121.223 0.005 0.000 2.151 121 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 121 L C 2.620 179.489 176.870 -0.001 0.000 1.084 121 L CA 1.352 56.192 54.840 0.000 0.000 0.764 121 L CB -0.177 41.878 42.059 -0.007 0.000 0.891 121 L HN 0.375 nan 8.230 nan 0.000 0.435 122 M N -0.679 118.920 119.600 -0.002 0.000 2.160 122 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 122 M C 2.233 178.533 176.300 0.000 0.000 1.073 122 M CA 1.635 56.933 55.300 -0.004 0.000 1.142 122 M CB -0.354 32.240 32.600 -0.010 0.000 1.358 122 M HN -0.060 nan 8.290 nan 0.000 0.422 123 R N -0.366 120.133 120.500 -0.002 0.000 2.117 123 R HA -0.238 4.101 4.340 -0.000 0.000 0.243 123 R C 2.381 178.686 176.300 0.009 0.000 1.143 123 R CA 2.090 58.190 56.100 -0.001 0.000 0.968 123 R CB -0.463 29.837 30.300 -0.001 0.000 0.863 123 R HN 0.642 nan 8.270 nan 0.000 0.444 124 Q N -0.354 119.452 119.800 0.011 0.000 2.084 124 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 124 Q C 1.895 177.908 176.000 0.021 0.000 0.978 124 Q CA 1.783 57.596 55.803 0.015 0.000 0.844 124 Q CB -0.024 28.722 28.738 0.014 0.000 0.898 124 Q HN 0.401 nan 8.270 nan 0.000 0.426 125 A N 0.567 123.400 122.820 0.021 0.000 1.854 125 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 125 A C 1.927 179.534 177.584 0.038 0.000 1.192 125 A CA 0.842 52.898 52.037 0.031 0.000 0.611 125 A CB -0.743 18.274 19.000 0.028 0.000 0.832 125 A HN 0.436 nan 8.150 nan 0.000 0.442 126 L N -0.539 120.703 121.223 0.031 0.000 2.661 126 L HA -0.211 4.129 4.340 -0.000 0.000 0.236 126 L C 2.459 179.350 176.870 0.034 0.000 1.176 126 L CA 0.637 55.497 54.840 0.034 0.000 0.836 126 L CB -0.335 41.734 42.059 0.017 0.000 0.960 126 L HN 0.500 nan 8.230 nan 0.000 0.455 127 A N -0.654 122.186 122.820 0.032 0.000 2.085 127 A HA 0.224 4.544 4.320 -0.000 0.000 0.208 127 A C 1.154 178.761 177.584 0.037 0.000 1.191 127 A CA -0.333 51.723 52.037 0.031 0.000 0.799 127 A CB 0.064 19.079 19.000 0.025 0.000 0.877 127 A HN 0.223 nan 8.150 nan 0.000 0.473 128 I N 2.445 123.041 120.570 0.043 0.000 2.996 128 I HA -0.099 4.071 4.170 -0.000 0.000 0.285 128 I C -0.138 176.010 176.117 0.052 0.000 1.173 128 I CA 0.472 61.801 61.300 0.048 0.000 1.396 128 I CB -0.131 37.902 38.000 0.056 0.000 1.470 128 I HN 0.195 nan 8.210 nan 0.000 0.586 129 K N 5.977 126.404 120.400 0.045 0.000 2.378 129 K HA 0.164 4.483 4.320 -0.000 0.000 0.288 129 K C -0.447 176.181 176.600 0.046 0.000 1.057 129 K CA 0.144 56.458 56.287 0.045 0.000 0.971 129 K CB 0.282 32.805 32.500 0.038 0.000 0.975 129 K HN 0.531 nan 8.250 nan 0.000 0.475 130 D N 1.608 122.038 120.400 0.051 0.000 3.494 130 D HA -0.107 4.532 4.640 -0.000 0.000 0.117 130 D C 0.724 177.059 176.300 0.057 0.000 0.786 130 D CA 0.453 54.480 54.000 0.046 0.000 2.048 130 D CB -0.496 40.330 40.800 0.044 0.000 1.045 130 D HN 0.372 nan 8.370 nan 0.000 0.923 131 S N 3.504 119.233 115.700 0.047 0.000 2.422 131 S HA -0.389 4.081 4.470 -0.000 0.000 0.248 131 S C 1.897 176.539 174.600 0.070 0.000 1.069 131 S CA 1.265 59.496 58.200 0.052 0.000 1.214 131 S CB -0.356 62.834 63.200 -0.017 0.000 1.122 131 S HN 0.551 nan 8.310 nan 0.000 0.432 132 K N 1.799 122.208 120.400 0.015 0.000 2.066 132 K HA -0.187 4.132 4.320 -0.000 0.000 0.221 132 K C 2.143 178.804 176.600 0.101 0.000 1.056 132 K CA 2.212 58.513 56.287 0.024 0.000 0.950 132 K CB -0.677 31.821 32.500 -0.003 0.000 0.726 132 K HN 0.611 nan 8.250 nan 0.000 0.456 133 K N 0.177 120.631 120.400 0.089 0.000 2.243 133 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 133 K C 2.334 179.007 176.600 0.121 0.000 1.051 133 K CA 0.316 56.662 56.287 0.100 0.000 0.970 133 K CB 0.058 32.601 32.500 0.072 0.000 0.755 133 K HN 0.134 nan 8.250 nan 0.000 0.465 134 R N 0.844 121.422 120.500 0.130 0.000 2.061 134 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 134 R C 2.089 178.498 176.300 0.180 0.000 1.140 134 R CA 1.480 57.660 56.100 0.134 0.000 0.940 134 R CB -0.437 29.942 30.300 0.131 0.000 0.839 134 R HN 0.168 nan 8.270 nan 0.000 0.429 135 F N 1.437 121.436 119.950 0.080 0.000 2.307 135 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 135 F C 1.892 177.768 175.800 0.127 0.000 1.076 135 F CA 1.258 59.324 58.000 0.110 0.000 1.383 135 F CB -0.089 38.960 39.000 0.081 0.000 1.055 135 F HN 0.188 nan 8.300 nan 0.000 0.526 136 A N 0.266 123.229 122.820 0.239 0.000 1.897 136 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 136 A C 2.370 180.038 177.584 0.140 0.000 1.181 136 A CA 1.367 53.510 52.037 0.176 0.000 0.620 136 A CB -1.356 17.739 19.000 0.158 0.000 0.821 136 A HN 0.474 nan 8.150 nan 0.000 0.443 137 A N 0.297 123.179 122.820 0.102 0.000 1.823 137 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 137 A C 1.951 179.558 177.584 0.038 0.000 1.225 137 A CA 1.262 53.342 52.037 0.071 0.000 0.604 137 A CB -0.968 18.065 19.000 0.056 0.000 0.878 137 A HN 0.431 nan 8.150 nan 0.000 0.450 138 I N -1.984 118.597 120.570 0.018 0.000 2.247 138 I HA -0.403 3.767 4.170 -0.000 0.000 0.249 138 I C 2.362 178.453 176.117 -0.044 0.000 1.027 138 I CA 2.473 63.765 61.300 -0.015 0.000 1.316 138 I CB -0.475 37.525 38.000 -0.001 0.000 1.007 138 I HN 0.777 nan 8.210 nan 0.000 0.430 139 W N 1.756 122.867 121.300 -0.315 0.000 2.376 139 W HA -0.214 4.446 4.660 -0.000 0.000 0.324 139 W C 2.778 179.199 176.519 -0.164 0.000 1.191 139 W CA 2.378 59.532 57.345 -0.319 0.000 1.282 139 W CB -0.992 28.190 29.460 -0.465 0.000 1.185 139 W HN -0.065 nan 8.180 nan 0.000 0.458 140 T N 2.285 116.783 114.554 -0.094 0.000 2.718 140 T HA -0.338 4.011 4.350 -0.000 0.000 0.266 140 T C 1.863 176.377 174.700 -0.310 0.000 1.033 140 T CA 1.963 63.853 62.100 -0.351 0.000 1.151 140 T CB -0.810 68.042 68.868 -0.026 0.000 0.853 140 T HN 0.236 nan 8.240 nan 0.000 0.466 141 L N 0.738 121.858 121.223 -0.172 0.000 1.937 141 L HA -0.116 4.223 4.340 -0.000 0.000 0.213 141 L C 2.354 179.122 176.870 -0.170 0.000 1.077 141 L CA 1.882 56.643 54.840 -0.132 0.000 0.758 141 L CB -0.335 41.682 42.059 -0.071 0.000 0.888 141 L HN 0.520 nan 8.230 nan 0.000 0.433 142 C N -1.707 117.492 119.300 -0.167 0.000 2.396 142 C HA 0.186 4.646 4.460 -0.000 0.000 0.334 142 C C 1.984 176.840 174.990 -0.224 0.000 1.313 142 C CA -0.662 58.263 59.018 -0.155 0.000 1.719 142 C CB -1.690 25.998 27.740 -0.086 0.000 1.893 142 C HN 0.495 nan 8.230 nan 0.000 0.589 143 K N 0.403 120.566 120.400 -0.394 0.000 2.137 143 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 143 K C 1.668 178.085 176.600 -0.305 0.000 1.052 143 K CA 1.459 57.455 56.287 -0.484 0.000 0.961 143 K CB -0.696 31.190 32.500 -1.024 0.000 0.741 143 K HN 0.292 nan 8.250 nan 0.000 0.452 144 T N 1.039 115.430 114.554 -0.273 0.000 2.812 144 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 144 T C 0.656 175.279 174.700 -0.128 0.000 1.042 144 T CA 0.563 62.553 62.100 -0.183 0.000 1.140 144 T CB -0.038 68.733 68.868 -0.161 0.000 0.870 144 T HN 0.037 nan 8.240 nan 0.000 0.445 145 K N 2.371 122.701 120.400 -0.117 0.000 2.320 145 K HA 0.042 4.362 4.320 -0.000 0.000 0.273 145 K C -0.106 176.451 176.600 -0.070 0.000 1.146 145 K CA 0.428 56.668 56.287 -0.078 0.000 1.144 145 K CB -0.387 32.074 32.500 -0.066 0.000 0.878 145 K HN 0.397 nan 8.250 nan 0.000 0.458 146 M N 3.490 123.055 119.600 -0.058 0.000 2.989 146 M HA 0.142 4.622 4.480 -0.000 0.000 0.307 146 M C -0.899 175.389 176.300 -0.020 0.000 1.224 146 M CA -0.340 54.930 55.300 -0.050 0.000 0.984 146 M CB 0.729 33.292 32.600 -0.062 0.000 1.264 146 M HN -0.027 nan 8.290 nan 0.000 0.525 147 V N -0.405 119.501 119.914 -0.014 0.000 2.823 147 V HA 0.069 4.189 4.120 -0.000 0.000 0.296 147 V C -0.738 175.354 176.094 -0.004 0.000 1.250 147 V CA -1.244 61.056 62.300 -0.001 0.000 0.939 147 V CB 2.242 34.063 31.823 -0.002 0.000 1.062 147 V HN 0.411 nan 8.190 nan 0.000 0.433 148 C N 5.451 124.750 119.300 -0.001 0.000 3.031 148 C HA 0.219 4.679 4.460 -0.000 0.000 0.489 148 C C 1.042 176.029 174.990 -0.005 0.000 1.020 148 C CA -0.433 58.584 59.018 -0.002 0.000 1.104 148 C CB -2.031 25.706 27.740 -0.005 0.000 1.470 148 C HN 0.884 nan 8.230 nan 0.000 0.583 149 E N 2.145 122.345 120.200 -0.001 0.000 2.765 149 E HA -0.079 4.271 4.350 -0.000 0.000 0.256 149 E C 1.088 177.689 176.600 0.002 0.000 0.935 149 E CA 0.489 56.888 56.400 -0.001 0.000 0.954 149 E CB 0.565 30.267 29.700 0.002 0.000 0.908 149 E HN 0.620 nan 8.360 nan 0.000 0.500 150 T N 2.166 116.716 114.554 -0.006 0.000 3.057 150 T HA 0.012 4.362 4.350 -0.000 0.000 0.254 150 T C -0.205 174.488 174.700 -0.012 0.000 1.094 150 T CA 0.313 62.409 62.100 -0.006 0.000 1.088 150 T CB 0.273 69.133 68.868 -0.013 0.000 0.934 150 T HN 0.393 nan 8.240 nan 0.000 0.497 151 D N 0.711 121.100 120.400 -0.020 0.000 2.990 151 D HA 0.474 5.114 4.640 -0.000 0.000 0.227 151 D C -1.235 175.038 176.300 -0.045 0.000 1.249 151 D CA -0.255 53.722 54.000 -0.039 0.000 0.891 151 D CB 2.969 43.747 40.800 -0.037 0.000 1.647 151 D HN -0.057 nan 8.370 nan 0.000 0.530 152 V N 2.027 121.893 119.914 -0.079 0.000 2.735 152 V HA 0.430 4.550 4.120 -0.000 0.000 0.310 152 V C -2.351 173.685 176.094 -0.096 0.000 1.061 152 V CA -1.840 60.417 62.300 -0.072 0.000 0.913 152 V CB 2.498 34.291 31.823 -0.050 0.000 1.005 152 V HN 0.359 nan 8.190 nan 0.000 0.428 153 P HA 0.104 nan 4.420 nan 0.000 0.268 153 P C 0.265 177.531 177.300 -0.057 0.000 1.282 153 P CA 0.165 63.234 63.100 -0.051 0.000 0.880 153 P CB 0.443 32.126 31.700 -0.028 0.000 0.971 154 S N 3.001 118.651 115.700 -0.084 0.000 2.589 154 S HA -0.064 4.406 4.470 -0.000 0.000 0.256 154 S C 0.607 175.197 174.600 -0.017 0.000 1.383 154 S CA -0.207 57.951 58.200 -0.070 0.000 0.983 154 S CB -0.084 63.070 63.200 -0.077 0.000 0.908 154 S HN 0.318 nan 8.310 nan 0.000 0.572 155 E N 1.413 121.619 120.200 0.009 0.000 2.773 155 E HA 0.175 4.525 4.350 -0.000 0.000 0.302 155 E C -0.193 176.411 176.600 0.006 0.000 1.574 155 E CA 0.168 56.577 56.400 0.016 0.000 1.775 155 E CB -0.295 29.423 29.700 0.030 0.000 1.413 155 E HN 0.475 nan 8.360 nan 0.000 0.471 156 D N -0.157 120.242 120.400 -0.002 0.000 3.029 156 D HA 0.053 4.693 4.640 -0.000 0.000 0.181 156 D C -0.177 176.120 176.300 -0.005 0.000 1.356 156 D CA -0.083 53.915 54.000 -0.004 0.000 1.532 156 D CB 0.283 41.078 40.800 -0.009 0.000 1.204 156 D HN 0.213 nan 8.370 nan 0.000 0.184 157 D N 0.720 121.114 120.400 -0.010 0.000 2.575 157 D HA 0.221 4.861 4.640 -0.000 0.000 0.236 157 D C -2.305 173.988 176.300 -0.013 0.000 1.075 157 D CA -1.567 52.428 54.000 -0.009 0.000 0.860 157 D CB 2.804 43.599 40.800 -0.008 0.000 1.475 157 D HN -0.072 nan 8.370 nan 0.000 0.474 158 P HA -0.019 nan 4.420 nan 0.000 0.247 158 P C 0.787 178.078 177.300 -0.015 0.000 1.225 158 P CA 0.317 63.409 63.100 -0.013 0.000 0.768 158 P CB 0.199 31.893 31.700 -0.010 0.000 1.020 159 T N 0.139 114.684 114.554 -0.014 0.000 2.781 159 T HA -0.071 4.279 4.350 -0.000 0.000 0.252 159 T C 0.703 175.392 174.700 -0.017 0.000 1.039 159 T CA 0.986 63.078 62.100 -0.014 0.000 1.147 159 T CB -0.404 68.457 68.868 -0.011 0.000 0.865 159 T HN 0.320 nan 8.240 nan 0.000 0.423 160 Q N 2.439 122.227 119.800 -0.020 0.000 2.406 160 Q HA 0.497 4.837 4.340 -0.000 0.000 0.242 160 Q C -0.893 175.086 176.000 -0.035 0.000 1.036 160 Q CA -0.131 55.657 55.803 -0.024 0.000 0.904 160 Q CB -0.173 28.552 28.738 -0.022 0.000 1.244 160 Q HN 0.355 nan 8.270 nan 0.000 0.478 161 L N 3.251 124.451 121.223 -0.037 0.000 2.319 161 L HA 0.376 4.716 4.340 -0.000 0.000 0.280 161 L C -0.013 176.819 176.870 -0.064 0.000 1.099 161 L CA -0.898 53.911 54.840 -0.051 0.000 0.828 161 L CB 0.570 42.603 42.059 -0.042 0.000 1.150 161 L HN 0.470 nan 8.230 nan 0.000 0.442 162 V N 1.938 121.793 119.914 -0.098 0.000 3.134 162 V HA 0.352 4.472 4.120 -0.000 0.000 0.313 162 V C 0.531 176.554 176.094 -0.118 0.000 1.069 162 V CA -0.588 61.643 62.300 -0.115 0.000 1.048 162 V CB 1.757 33.480 31.823 -0.168 0.000 1.119 162 V HN 0.951 nan 8.190 nan 0.000 0.461 163 S N 1.949 117.595 115.700 -0.090 0.000 2.593 163 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 163 S C -0.228 174.348 174.600 -0.039 0.000 1.112 163 S CA -0.788 57.378 58.200 -0.057 0.000 1.043 163 S CB 2.311 65.494 63.200 -0.029 0.000 1.054 163 S HN 0.887 nan 8.310 nan 0.000 0.516 164 R N 1.726 122.229 120.500 0.004 0.000 2.796 164 R HA 0.656 4.995 4.340 -0.000 0.000 0.096 164 R C 0.672 176.999 176.300 0.045 0.000 0.835 164 R CA -0.522 55.618 56.100 0.068 0.000 0.658 164 R CB -0.474 29.915 30.300 0.149 0.000 0.559 164 R HN 0.686 nan 8.270 nan 0.000 0.345 165 G N -0.187 108.641 108.800 0.047 0.000 2.476 165 G HA2 0.465 4.424 3.960 -0.000 0.000 0.286 165 G HA3 0.465 4.424 3.960 -0.000 0.000 0.286 165 G C -0.071 174.841 174.900 0.019 0.000 1.177 165 G CA -0.230 44.888 45.100 0.030 0.000 0.870 165 G HN 0.550 nan 8.290 nan 0.000 0.528 166 G N -1.126 107.683 108.800 0.015 0.000 2.928 166 G HA2 0.382 4.342 3.960 -0.000 0.000 0.163 166 G HA3 0.382 4.342 3.960 -0.000 0.000 0.163 166 G C 0.874 175.763 174.900 -0.017 0.000 1.573 166 G CA 0.389 45.490 45.100 0.002 0.000 1.084 166 G HN 2.007 nan 8.290 nan 0.000 0.569 167 C N -0.987 118.287 119.300 -0.042 0.000 1.825 167 C HA -0.006 4.454 4.460 -0.000 0.000 0.181 167 C C 1.615 176.541 174.990 -0.106 0.000 1.083 167 C CA -0.807 58.140 59.018 -0.118 0.000 3.158 167 C CB -1.958 25.645 27.740 -0.229 0.000 1.852 167 C HN 1.311 nan 8.230 nan 0.000 0.204 168 G N 3.380 112.131 108.800 -0.081 0.000 2.848 168 G HA2 0.061 4.021 3.960 -0.000 0.000 0.208 168 G HA3 0.061 4.021 3.960 -0.000 0.000 0.208 168 G C 0.583 175.454 174.900 -0.049 0.000 1.152 168 G CA -0.060 45.009 45.100 -0.051 0.000 0.789 168 G HN 0.993 nan 8.290 nan 0.000 0.531 169 N N 1.600 120.241 118.700 -0.098 0.000 1.960 169 N HA -0.098 4.642 4.740 -0.000 0.000 0.299 169 N C 0.450 175.986 175.510 0.044 0.000 1.267 169 N CA 0.930 53.945 53.050 -0.059 0.000 0.802 169 N CB 0.318 38.728 38.487 -0.128 0.000 1.031 169 N HN 0.014 nan 8.380 nan 0.000 0.490 170 T N 2.886 117.502 114.554 0.103 0.000 2.932 170 T HA -0.001 4.349 4.350 -0.000 0.000 0.312 170 T C 0.653 175.502 174.700 0.249 0.000 1.071 170 T CA -0.155 62.038 62.100 0.155 0.000 1.128 170 T CB 0.544 69.522 68.868 0.184 0.000 0.984 170 T HN 0.223 nan 8.240 nan 0.000 0.549 171 Q N 3.444 123.302 119.800 0.097 0.000 2.303 171 Q HA 0.271 4.611 4.340 -0.000 0.000 0.257 171 Q C -2.198 173.650 176.000 -0.253 0.000 0.941 171 Q CA -2.526 53.266 55.803 -0.019 0.000 0.931 171 Q CB 1.233 29.945 28.738 -0.043 0.000 1.215 171 Q HN 0.433 nan 8.270 nan 0.000 0.437 172 P HA -0.056 nan 4.420 nan 0.000 0.267 172 P C -0.152 176.811 177.300 -0.561 0.000 1.209 172 P CA 0.002 62.396 63.100 -1.177 0.000 0.763 172 P CB 0.562 30.975 31.700 -2.144 0.000 0.816 173 T N 5.033 119.355 114.554 -0.386 0.000 2.769 173 T HA 0.277 4.626 4.350 -0.000 0.000 0.293 173 T C 0.390 174.957 174.700 -0.222 0.000 0.931 173 T CA -0.181 61.788 62.100 -0.219 0.000 1.139 173 T CB -0.709 68.078 68.868 -0.135 0.000 0.881 173 T HN 0.193 nan 8.240 nan 0.000 0.532 174 I N 6.129 126.605 120.570 -0.155 0.000 2.428 174 I HA 0.573 4.742 4.170 -0.000 0.000 0.296 174 I C 0.470 176.574 176.117 -0.021 0.000 0.985 174 I CA -0.891 60.349 61.300 -0.101 0.000 1.260 174 I CB 1.333 39.296 38.000 -0.061 0.000 1.389 174 I HN 0.581 nan 8.210 nan 0.000 0.484 175 R N 4.606 125.104 120.500 -0.002 0.000 2.740 175 R HA 0.522 4.862 4.340 -0.000 0.000 0.273 175 R C -1.403 174.928 176.300 0.052 0.000 0.998 175 R CA -1.094 55.025 56.100 0.031 0.000 0.900 175 R CB 1.985 32.299 30.300 0.023 0.000 1.223 175 R HN 0.496 nan 8.270 nan 0.000 0.466 176 K N 1.573 122.010 120.400 0.063 0.000 2.205 176 K HA 0.101 4.421 4.320 -0.000 0.000 0.279 176 K C -1.245 175.401 176.600 0.078 0.000 1.027 176 K CA -0.367 55.967 56.287 0.078 0.000 0.932 176 K CB 0.970 33.513 32.500 0.073 0.000 1.032 176 K HN 0.722 nan 8.250 nan 0.000 0.466 177 D N 3.706 124.163 120.400 0.095 0.000 2.479 177 D HA 0.233 4.872 4.640 -0.000 0.000 0.246 177 D C 0.465 176.827 176.300 0.102 0.000 1.336 177 D CA 0.387 54.438 54.000 0.085 0.000 0.967 177 D CB 1.117 41.961 40.800 0.073 0.000 1.275 177 D HN 0.851 nan 8.370 nan 0.000 0.577 178 G N 3.575 112.433 108.800 0.097 0.000 2.660 178 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.321 178 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.321 178 G C 0.630 175.620 174.900 0.151 0.000 1.246 178 G CA 0.611 45.779 45.100 0.113 0.000 1.000 178 G HN 0.586 nan 8.290 nan 0.000 0.550 179 L N 1.179 122.506 121.223 0.172 0.000 2.928 179 L HA 0.347 4.687 4.340 -0.000 0.000 0.246 179 L C 0.052 177.089 176.870 0.278 0.000 1.239 179 L CA -0.128 54.855 54.840 0.240 0.000 1.035 179 L CB -0.090 42.100 42.059 0.219 0.000 1.360 179 L HN 0.192 nan 8.230 nan 0.000 0.529 180 K N 1.400 121.943 120.400 0.238 0.000 2.318 180 K HA 0.606 4.926 4.320 -0.000 0.000 0.249 180 K C -0.842 175.922 176.600 0.274 0.000 0.942 180 K CA -0.574 55.853 56.287 0.234 0.000 0.808 180 K CB 3.107 35.678 32.500 0.119 0.000 1.189 180 K HN 0.023 nan 8.250 nan 0.000 0.428 181 L N 1.927 123.350 121.223 0.333 0.000 2.296 181 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 181 L C -0.605 176.359 176.870 0.158 0.000 1.023 181 L CA -1.068 53.916 54.840 0.240 0.000 0.812 181 L CB 1.739 43.969 42.059 0.284 0.000 1.223 181 L HN 0.165 nan 8.230 nan 0.000 0.421 182 V N 2.334 122.304 119.914 0.094 0.000 2.735 182 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 182 V C 0.228 176.307 176.094 -0.025 0.000 1.061 182 V CA -0.417 61.920 62.300 0.061 0.000 0.913 182 V CB 2.040 33.902 31.823 0.065 0.000 1.005 182 V HN 0.858 nan 8.190 nan 0.000 0.428 183 G N 1.772 110.515 108.800 -0.095 0.000 2.630 183 G HA2 0.703 4.663 3.960 -0.000 0.000 0.296 183 G HA3 0.703 4.663 3.960 -0.000 0.000 0.296 183 G C -0.836 173.884 174.900 -0.300 0.000 1.285 183 G CA -0.343 44.535 45.100 -0.369 0.000 0.958 183 G HN 1.001 nan 8.290 nan 0.000 0.479 184 S N -0.147 115.338 115.700 -0.357 0.000 2.721 184 S HA 0.343 4.813 4.470 -0.000 0.000 0.264 184 S C -1.015 173.595 174.600 0.016 0.000 1.161 184 S CA -0.794 57.414 58.200 0.015 0.000 1.113 184 S CB 0.412 63.636 63.200 0.040 0.000 1.079 184 S HN 0.614 nan 8.310 nan 0.000 0.479 185 W N 4.138 125.444 121.300 0.009 0.000 2.481 185 W HA 0.318 4.978 4.660 -0.000 0.000 0.320 185 W C 0.694 177.214 176.519 0.001 0.000 1.209 185 W CA -0.832 56.515 57.345 0.004 0.000 1.400 185 W CB 0.617 30.079 29.460 0.004 0.000 1.361 185 W HN 0.635 nan 8.180 nan 0.000 0.456 196 E N 0.136 120.352 120.200 0.026 0.000 8.073 196 E HA -0.116 4.234 4.350 -0.000 0.000 0.466 196 E C -2.628 174.000 176.600 0.046 0.000 0.782 196 E CA -0.539 55.880 56.400 0.032 0.000 1.366 196 E CB -0.098 29.618 29.700 0.028 0.000 0.986 196 E HN 0.190 nan 8.360 nan 0.000 0.263 197 P HA 0.033 nan 4.420 nan 0.000 0.280 197 P C -0.455 176.908 177.300 0.106 0.000 1.278 197 P CA 0.303 63.455 63.100 0.086 0.000 0.787 197 P CB 0.349 32.094 31.700 0.076 0.000 1.163 198 E N -0.377 119.927 120.200 0.173 0.000 4.044 198 E HA 0.238 4.588 4.350 -0.000 0.000 0.216 198 E C -0.331 176.428 176.600 0.266 0.000 1.104 198 E CA -0.327 56.179 56.400 0.176 0.000 1.383 198 E CB -0.511 29.276 29.700 0.146 0.000 1.195 198 E HN 0.285 nan 8.360 nan 0.000 0.442 199 L N 2.306 123.650 121.223 0.202 0.000 2.720 199 L HA -0.069 4.271 4.340 -0.000 0.000 0.289 199 L C 0.408 177.413 176.870 0.225 0.000 1.232 199 L CA 1.005 55.965 54.840 0.200 0.000 0.915 199 L CB -0.194 41.932 42.059 0.112 0.000 1.184 199 L HN 0.383 nan 8.230 nan 0.000 0.491 200 R N 1.963 122.652 120.500 0.316 0.000 2.604 200 R HA 0.542 4.882 4.340 -0.000 0.000 0.261 200 R C -1.897 174.558 176.300 0.258 0.000 1.080 200 R CA -0.842 55.422 56.100 0.272 0.000 0.917 200 R CB 1.311 31.768 30.300 0.263 0.000 1.252 200 R HN 0.199 nan 8.270 nan 0.000 0.456 201 V N 4.582 124.588 119.914 0.154 0.000 2.583 201 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 201 V C 0.274 176.461 176.094 0.155 0.000 1.051 201 V CA -0.454 61.922 62.300 0.126 0.000 1.010 201 V CB 1.175 33.036 31.823 0.062 0.000 0.988 201 V HN 0.586 nan 8.190 nan 0.000 0.478 202 L N 5.581 126.905 121.223 0.168 0.000 2.295 202 L HA 0.286 4.626 4.340 -0.000 0.000 0.288 202 L C 0.935 177.887 176.870 0.136 0.000 1.079 202 L CA 0.124 55.073 54.840 0.182 0.000 0.830 202 L CB 0.886 43.061 42.059 0.193 0.000 1.200 202 L HN 0.856 nan 8.230 nan 0.000 0.438 203 S N 1.500 117.253 115.700 0.088 0.000 2.600 203 S HA 0.141 4.611 4.470 -0.000 0.000 0.265 203 S C 1.085 175.706 174.600 0.035 0.000 1.325 203 S CA -0.292 57.925 58.200 0.027 0.000 1.002 203 S CB 1.335 64.543 63.200 0.015 0.000 0.921 203 S HN 0.596 nan 8.310 nan 0.000 0.554 204 T N 2.038 116.561 114.554 -0.051 0.000 2.668 204 T HA -0.048 4.301 4.350 -0.000 0.000 0.258 204 T C 1.548 176.295 174.700 0.079 0.000 1.051 204 T CA 1.801 63.887 62.100 -0.025 0.000 1.155 204 T CB -0.817 67.965 68.868 -0.144 0.000 0.864 204 T HN 0.816 nan 8.240 nan 0.000 0.413 205 E N 1.326 121.552 120.200 0.044 0.000 2.208 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 205 E C 1.951 178.584 176.600 0.054 0.000 1.014 205 E CA 1.372 57.805 56.400 0.055 0.000 0.819 205 E CB -0.248 29.472 29.700 0.034 0.000 0.735 205 E HN 0.653 nan 8.360 nan 0.000 0.469 206 E N 0.349 120.580 120.200 0.051 0.000 2.016 206 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 206 E C 1.985 178.609 176.600 0.041 0.000 0.985 206 E CA 1.054 57.475 56.400 0.036 0.000 0.802 206 E CB -0.001 29.731 29.700 0.053 0.000 0.762 206 E HN 0.225 nan 8.360 nan 0.000 0.448 207 I N 1.671 122.305 120.570 0.106 0.000 2.226 207 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 207 I C 2.763 178.987 176.117 0.178 0.000 1.100 207 I CA 0.812 62.172 61.300 0.098 0.000 1.374 207 I CB -0.762 37.438 38.000 0.334 0.000 1.057 207 I HN 0.345 nan 8.210 nan 0.000 0.413 208 L N 1.205 122.592 121.223 0.273 0.000 1.990 208 L HA -0.299 4.041 4.340 -0.000 0.000 0.213 208 L C 2.561 179.555 176.870 0.208 0.000 1.072 208 L CA 1.999 57.020 54.840 0.302 0.000 0.755 208 L CB -0.562 41.629 42.059 0.219 0.000 0.889 208 L HN 0.401 nan 8.230 nan 0.000 0.432 209 N N 0.552 119.304 118.700 0.086 0.000 2.084 209 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 209 N C 1.901 177.371 175.510 -0.067 0.000 1.030 209 N CA 1.814 54.858 53.050 -0.011 0.000 0.849 209 N CB -0.193 38.231 38.487 -0.103 0.000 1.012 209 N HN 0.419 nan 8.380 nan 0.000 0.423 210 I N 0.235 120.745 120.570 -0.100 0.000 2.163 210 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 210 I C 1.878 177.997 176.117 0.004 0.000 1.085 210 I CA 1.036 62.265 61.300 -0.119 0.000 1.347 210 I CB -0.404 37.462 38.000 -0.223 0.000 1.044 210 I HN 0.014 nan 8.210 nan 0.000 0.408 211 F N 1.266 121.258 119.950 0.070 0.000 2.095 211 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 211 F C 2.522 178.392 175.800 0.116 0.000 1.104 211 F CA 1.477 59.516 58.000 0.066 0.000 1.232 211 F CB -0.804 38.209 39.000 0.022 0.000 0.987 211 F HN -0.085 nan 8.300 nan 0.000 0.475 212 K N -1.025 119.562 120.400 0.311 0.000 2.113 212 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 212 K C 1.758 178.527 176.600 0.282 0.000 1.047 212 K CA 1.632 58.073 56.287 0.257 0.000 0.928 212 K CB -0.293 32.344 32.500 0.228 0.000 0.716 212 K HN 0.244 nan 8.250 nan 0.000 0.446 213 H N -0.094 119.021 119.070 0.074 0.000 2.547 213 H HA 0.128 4.684 4.556 -0.000 0.000 0.272 213 H C 0.092 175.414 175.328 -0.009 0.000 0.989 213 H CA 0.223 56.282 56.048 0.018 0.000 1.214 213 H CB -0.125 29.642 29.762 0.007 0.000 1.389 213 H HN 0.062 nan 8.280 nan 0.000 0.577 214 I N 1.738 122.397 120.570 0.150 0.000 2.710 214 I HA -0.077 4.092 4.170 -0.000 0.000 0.286 214 I C 0.728 176.699 176.117 -0.244 0.000 1.181 214 I CA -0.152 61.178 61.300 0.051 0.000 1.430 214 I CB 0.495 38.629 38.000 0.223 0.000 1.367 214 I HN 0.207 nan 8.210 nan 0.000 0.577 215 S N 5.027 120.567 115.700 -0.267 0.000 2.572 215 S HA 0.110 4.580 4.470 -0.000 0.000 0.279 215 S C 1.098 175.270 174.600 -0.713 0.000 1.341 215 S CA -0.991 56.970 58.200 -0.399 0.000 1.043 215 S CB 1.550 64.620 63.200 -0.217 0.000 0.887 215 S HN 0.417 nan 8.310 nan 0.000 0.516 216 V N 2.767 122.242 119.914 -0.731 0.000 2.469 216 V HA -0.173 3.947 4.120 -0.000 0.000 0.251 216 V C 2.580 178.506 176.094 -0.281 0.000 1.064 216 V CA 2.035 63.902 62.300 -0.722 0.000 1.066 216 V CB -0.964 30.648 31.823 -0.351 0.000 0.667 216 V HN 0.902 nan 8.190 nan 0.000 0.461 217 K N -0.604 119.685 120.400 -0.184 0.000 2.155 217 K HA -0.122 4.198 4.320 -0.000 0.000 0.203 217 K C 1.921 178.512 176.600 -0.015 0.000 1.052 217 K CA 1.147 57.397 56.287 -0.062 0.000 0.948 217 K CB -0.149 32.317 32.500 -0.056 0.000 0.728 217 K HN 0.437 nan 8.250 nan 0.000 0.448 218 D N 0.446 120.810 120.400 -0.061 0.000 2.117 218 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 218 D C 1.689 178.081 176.300 0.153 0.000 0.982 218 D CA 0.873 54.887 54.000 0.024 0.000 0.828 218 D CB -0.167 40.629 40.800 -0.007 0.000 0.967 218 D HN 0.115 nan 8.370 nan 0.000 0.464 219 F N 1.365 121.306 119.950 -0.015 0.000 2.041 219 F HA -0.355 4.172 4.527 -0.000 0.000 0.296 219 F C 2.721 178.580 175.800 0.099 0.000 1.147 219 F CA 1.422 59.398 58.000 -0.039 0.000 1.214 219 F CB -0.747 38.231 39.000 -0.037 0.000 0.947 219 F HN 0.001 nan 8.300 nan 0.000 0.511 220 T N 0.148 114.926 114.554 0.373 0.000 2.592 220 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 220 T C 1.898 176.730 174.700 0.220 0.000 1.060 220 T CA 2.217 64.470 62.100 0.254 0.000 1.167 220 T CB -0.863 68.109 68.868 0.173 0.000 0.863 220 T HN 0.398 nan 8.240 nan 0.000 0.431 221 S N 1.795 117.601 115.700 0.177 0.000 2.423 221 S HA -0.049 4.421 4.470 -0.000 0.000 0.238 221 S C 1.680 176.421 174.600 0.236 0.000 1.028 221 S CA 0.908 59.203 58.200 0.158 0.000 1.000 221 S CB -0.657 62.607 63.200 0.108 0.000 0.797 221 S HN 0.420 nan 8.310 nan 0.000 0.487 222 L N 1.403 122.821 121.223 0.325 0.000 2.688 222 L HA 0.273 4.613 4.340 -0.000 0.000 0.234 222 L C 1.557 178.795 176.870 0.613 0.000 1.192 222 L CA 0.202 55.365 54.840 0.538 0.000 0.984 222 L CB -0.737 41.629 42.059 0.513 0.000 1.232 222 L HN 0.587 nan 8.230 nan 0.000 0.465 223 G N -0.583 108.434 108.800 0.362 0.000 2.153 223 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 223 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 223 G C 0.156 175.053 174.900 -0.006 0.000 0.994 223 G CA 0.229 45.416 45.100 0.145 0.000 0.698 223 G HN 0.234 nan 8.290 nan 0.000 0.521 224 F N -0.074 119.847 119.950 -0.048 0.000 2.433 224 F HA 0.701 5.228 4.527 -0.000 0.000 0.288 224 F C 0.968 176.730 175.800 -0.063 0.000 0.996 224 F CA -0.800 57.121 58.000 -0.132 0.000 1.104 224 F CB 0.601 39.438 39.000 -0.273 0.000 1.946 224 F HN 0.083 nan 8.300 nan 0.000 0.583 225 N N -0.508 118.265 118.700 0.122 0.000 2.752 225 N HA 0.067 4.807 4.740 -0.000 0.000 0.268 225 N C 0.067 175.603 175.510 0.042 0.000 1.190 225 N CA -0.101 53.005 53.050 0.093 0.000 0.897 225 N CB 0.840 39.400 38.487 0.120 0.000 1.515 225 N HN 0.583 nan 8.380 nan 0.000 0.567 226 E N 1.778 122.033 120.200 0.091 0.000 2.253 226 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 226 E C 0.472 177.078 176.600 0.010 0.000 1.014 226 E CA 1.857 58.315 56.400 0.096 0.000 0.823 226 E CB 0.267 30.040 29.700 0.122 0.000 0.736 226 E HN 0.491 nan 8.360 nan 0.000 0.478 227 V N -1.120 118.747 119.914 -0.080 0.000 2.788 227 V HA -0.008 4.112 4.120 -0.000 0.000 0.241 227 V C 1.729 177.826 176.094 0.004 0.000 1.083 227 V CA 0.950 63.129 62.300 -0.201 0.000 1.103 227 V CB -0.390 30.994 31.823 -0.732 0.000 0.800 227 V HN 0.220 nan 8.190 nan 0.000 0.476 228 F N 1.126 121.208 119.950 0.221 0.000 2.582 228 F HA 0.209 4.736 4.527 -0.000 0.000 0.290 228 F C 1.088 177.078 175.800 0.318 0.000 1.115 228 F CA 0.588 58.698 58.000 0.185 0.000 1.445 228 F CB 0.535 39.563 39.000 0.047 0.000 1.126 228 F HN 0.265 nan 8.300 nan 0.000 0.574 229 S N 0.485 116.485 115.700 0.500 0.000 2.592 229 S HA 0.369 4.839 4.470 -0.000 0.000 0.151 229 S C -0.813 173.867 174.600 0.133 0.000 1.280 229 S CA -0.934 57.521 58.200 0.424 0.000 1.187 229 S CB 0.088 63.356 63.200 0.113 0.000 1.471 229 S HN 0.092 nan 8.310 nan 0.000 0.409 230 R N 2.093 122.405 120.500 -0.314 0.000 2.390 230 R HA 0.329 4.669 4.340 -0.000 0.000 0.291 230 R C -2.037 173.849 176.300 -0.690 0.000 1.070 230 R CA -1.944 53.553 56.100 -1.006 0.000 1.014 230 R CB 0.029 29.405 30.300 -1.540 0.000 1.007 230 R HN 0.218 nan 8.270 nan 0.000 0.466 231 P HA -0.348 nan 4.420 nan 0.000 0.219 231 P C 1.046 178.010 177.300 -0.560 0.000 1.161 231 P CA 1.665 64.245 63.100 -0.866 0.000 0.909 231 P CB 0.052 31.059 31.700 -1.155 0.000 0.793 232 E N -1.350 118.608 120.200 -0.404 0.000 2.187 232 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 232 E C 1.545 178.179 176.600 0.057 0.000 1.004 232 E CA 1.334 57.664 56.400 -0.117 0.000 0.813 232 E CB -1.338 28.322 29.700 -0.067 0.000 0.736 232 E HN 0.364 nan 8.360 nan 0.000 0.468 233 W N 0.848 122.124 121.300 -0.039 0.000 2.525 233 W HA 0.119 4.779 4.660 -0.000 0.000 0.259 233 W C 2.106 178.676 176.519 0.086 0.000 1.253 233 W CA 0.336 57.706 57.345 0.041 0.000 1.262 233 W CB -0.573 28.906 29.460 0.033 0.000 1.122 233 W HN 0.129 nan 8.180 nan 0.000 0.607 234 M N -0.529 119.197 119.600 0.210 0.000 2.549 234 M HA -0.037 4.442 4.480 -0.000 0.000 0.260 234 M C 0.356 176.868 176.300 0.353 0.000 1.076 234 M CA 1.168 56.624 55.300 0.260 0.000 1.090 234 M CB -0.260 32.342 32.600 0.004 0.000 1.418 234 M HN -0.316 nan 8.290 nan 0.000 0.486 235 I N 1.611 122.368 120.570 0.312 0.000 2.328 235 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 235 I C -0.401 175.900 176.117 0.305 0.000 1.012 235 I CA -0.627 60.883 61.300 0.350 0.000 1.195 235 I CB 1.133 39.350 38.000 0.361 0.000 1.350 235 I HN 0.045 nan 8.210 nan 0.000 0.464 236 L N 6.352 127.742 121.223 0.279 0.000 2.453 236 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 236 L C 0.822 177.794 176.870 0.171 0.000 1.182 236 L CA 0.351 55.321 54.840 0.217 0.000 0.858 236 L CB 0.280 42.444 42.059 0.174 0.000 1.120 236 L HN 0.672 nan 8.230 nan 0.000 0.474 237 T N -0.114 114.537 114.554 0.161 0.000 3.105 237 T HA 0.052 4.402 4.350 -0.000 0.000 0.257 237 T C -0.151 174.618 174.700 0.115 0.000 0.949 237 T CA 0.032 62.212 62.100 0.134 0.000 0.959 237 T CB 0.480 69.442 68.868 0.156 0.000 1.205 237 T HN 0.643 nan 8.240 nan 0.000 0.496 238 C N 2.729 122.104 119.300 0.125 0.000 2.369 238 C HA 0.804 5.264 4.460 -0.000 0.000 0.322 238 C C -1.280 173.770 174.990 0.100 0.000 1.258 238 C CA -1.056 58.037 59.018 0.125 0.000 1.487 238 C CB -0.249 27.578 27.740 0.146 0.000 2.165 238 C HN 0.403 nan 8.230 nan 0.000 0.483 239 L N 9.392 130.664 121.223 0.082 0.000 2.262 239 L HA 0.529 4.869 4.340 -0.000 0.000 0.288 239 L C -1.887 175.029 176.870 0.078 0.000 1.035 239 L CA -1.961 52.919 54.840 0.065 0.000 0.820 239 L CB 1.349 43.421 42.059 0.022 0.000 1.204 239 L HN 0.550 nan 8.230 nan 0.000 0.424 240 P HA -0.011 nan 4.420 nan 0.000 0.263 240 P C -0.693 176.718 177.300 0.185 0.000 1.195 240 P CA 0.043 63.234 63.100 0.152 0.000 0.762 240 P CB 0.844 32.573 31.700 0.049 0.000 0.799 241 V N 6.995 126.969 119.914 0.099 0.000 2.304 241 V HA 0.192 4.312 4.120 -0.000 0.000 0.269 241 V C -1.634 174.189 176.094 -0.451 0.000 1.036 241 V CA -1.977 60.268 62.300 -0.092 0.000 0.840 241 V CB 0.862 32.640 31.823 -0.075 0.000 1.036 241 V HN 0.557 nan 8.190 nan 0.000 0.466 242 P HA 0.146 nan 4.420 nan 0.000 0.265 242 P C -2.553 174.429 177.300 -0.531 0.000 1.193 242 P CA -0.968 61.585 63.100 -0.913 0.000 0.765 242 P CB 0.363 31.856 31.700 -0.346 0.000 0.823 243 P HA 0.167 nan 4.420 nan 0.000 0.274 243 P C -2.028 175.178 177.300 -0.156 0.000 1.246 243 P CA -1.769 61.184 63.100 -0.245 0.000 0.795 243 P CB -0.333 31.258 31.700 -0.181 0.000 1.006 244 P HA -0.218 nan 4.420 nan 0.000 0.224 244 P C -1.220 176.032 177.300 -0.080 0.000 1.153 244 P CA 3.052 66.104 63.100 -0.080 0.000 0.947 244 P CB -2.027 29.637 31.700 -0.061 0.000 0.790 245 P HA -0.147 nan 4.420 nan 0.000 0.219 245 P C 1.326 178.591 177.300 -0.059 0.000 1.145 245 P CA 1.265 64.326 63.100 -0.064 0.000 0.813 245 P CB -0.400 31.263 31.700 -0.062 0.000 0.771 246 V N -0.538 119.335 119.914 -0.069 0.000 2.599 246 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 246 V C 1.569 177.628 176.094 -0.059 0.000 1.046 246 V CA 1.353 63.619 62.300 -0.056 0.000 1.065 246 V CB -0.722 31.064 31.823 -0.062 0.000 0.703 246 V HN 0.211 nan 8.190 nan 0.000 0.464 247 R N 1.193 121.651 120.500 -0.071 0.000 2.881 247 R HA 0.322 4.662 4.340 -0.000 0.000 0.331 247 R C -2.902 173.346 176.300 -0.087 0.000 1.207 247 R CA -1.398 54.657 56.100 -0.074 0.000 1.265 247 R CB -0.052 30.210 30.300 -0.062 0.000 1.351 247 R HN 0.271 nan 8.270 nan 0.000 0.613 248 P HA -0.035 nan 4.420 nan 0.000 0.268 248 P C 0.100 177.336 177.300 -0.106 0.000 1.208 248 P CA 0.320 63.367 63.100 -0.088 0.000 0.777 248 P CB 1.284 32.937 31.700 -0.080 0.000 0.875 249 S N 2.526 118.160 115.700 -0.110 0.000 2.401 249 S HA 0.459 4.929 4.470 -0.000 0.000 0.249 249 S C 0.665 175.167 174.600 -0.164 0.000 1.237 249 S CA -0.490 57.631 58.200 -0.132 0.000 1.000 249 S CB 0.079 63.209 63.200 -0.117 0.000 1.013 249 S HN 0.541 nan 8.310 nan 0.000 0.494 250 I N 1.105 121.534 120.570 -0.235 0.000 2.673 250 I HA 0.056 4.225 4.170 -0.000 0.000 0.257 250 I C -0.535 175.136 176.117 -0.742 0.000 1.625 250 I CA -0.256 60.828 61.300 -0.361 0.000 0.873 250 I CB 0.823 38.662 38.000 -0.268 0.000 1.534 250 I HN 0.709 nan 8.210 nan 0.000 0.508 251 S N 2.093 117.450 115.700 -0.571 0.000 2.579 251 S HA 0.487 4.957 4.470 -0.000 0.000 0.275 251 S C -0.335 173.796 174.600 -0.781 0.000 1.345 251 S CA -0.067 57.771 58.200 -0.602 0.000 1.031 251 S CB 0.650 63.707 63.200 -0.237 0.000 0.892 251 S HN 0.324 nan 8.310 nan 0.000 0.529 252 F N 2.030 121.975 119.950 -0.009 0.000 2.530 252 F HA 0.481 5.008 4.527 -0.000 0.000 0.318 252 F C 1.023 176.819 175.800 -0.006 0.000 1.356 252 F CA -0.806 57.189 58.000 -0.008 0.000 1.135 252 F CB -0.863 38.133 39.000 -0.006 0.000 1.315 252 F HN 0.855 nan 8.300 nan 0.000 0.549 253 N N 0.349 119.089 118.700 0.066 0.000 3.133 253 N HA -0.235 4.505 4.740 -0.000 0.000 0.227 253 N C 0.348 175.877 175.510 0.033 0.000 0.528 253 N CA 1.800 54.876 53.050 0.044 0.000 1.980 253 N CB -0.692 37.833 38.487 0.063 0.000 1.651 253 N HN 0.512 nan 8.380 nan 0.000 0.346 254 E N 0.044 120.275 120.200 0.051 0.000 3.446 254 E HA 0.329 4.679 4.350 -0.000 0.000 0.229 254 E C -0.330 176.306 176.600 0.060 0.000 0.740 254 E CA 0.183 56.606 56.400 0.039 0.000 1.531 254 E CB 0.374 30.090 29.700 0.027 0.000 1.891 254 E HN 0.517 nan 8.360 nan 0.000 0.383 255 S N 1.083 116.811 115.700 0.047 0.000 3.238 255 S HA -0.201 4.269 4.470 -0.000 0.000 0.362 255 S C 0.179 174.824 174.600 0.076 0.000 0.778 255 S CA 0.739 58.969 58.200 0.050 0.000 2.155 255 S CB -0.526 62.694 63.200 0.034 0.000 1.157 255 S HN 0.412 nan 8.310 nan 0.000 0.668 256 Q N 1.579 121.445 119.800 0.109 0.000 1.562 256 Q HA 0.469 4.809 4.340 -0.000 0.000 0.145 256 Q C 0.445 176.555 176.000 0.184 0.000 0.425 256 Q CA -0.798 55.104 55.803 0.165 0.000 0.737 256 Q CB 0.821 29.743 28.738 0.307 0.000 0.767 256 Q HN 0.620 nan 8.270 nan 0.000 0.174 257 R N -2.480 118.165 120.500 0.242 0.000 4.194 257 R HA 0.197 4.537 4.340 -0.000 0.000 0.240 257 R C -1.315 175.078 176.300 0.155 0.000 0.839 257 R CA 0.543 56.745 56.100 0.170 0.000 0.687 257 R CB -0.617 29.788 30.300 0.175 0.000 1.833 257 R HN 0.679 nan 8.270 nan 0.000 0.409 258 G N 1.379 110.260 108.800 0.135 0.000 2.321 258 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.219 258 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.219 258 G C -0.675 174.181 174.900 -0.073 0.000 1.057 258 G CA -0.203 44.922 45.100 0.042 0.000 0.849 258 G HN 0.258 nan 8.290 nan 0.000 0.520 259 E N 0.836 120.984 120.200 -0.087 0.000 2.438 259 E HA 0.169 4.519 4.350 -0.000 0.000 0.261 259 E C -0.054 176.296 176.600 -0.416 0.000 1.103 259 E CA 0.017 56.271 56.400 -0.243 0.000 0.959 259 E CB 0.930 30.480 29.700 -0.250 0.000 0.958 259 E HN 0.414 nan 8.360 nan 0.000 0.447 260 D N 0.752 120.925 120.400 -0.378 0.000 2.193 260 D HA 0.009 4.649 4.640 -0.000 0.000 0.249 260 D C 0.492 176.543 176.300 -0.415 0.000 1.034 260 D CA -0.509 53.296 54.000 -0.324 0.000 0.902 260 D CB 1.120 41.812 40.800 -0.180 0.000 1.182 260 D HN 0.122 nan 8.370 nan 0.000 0.436 261 D N 2.307 122.529 120.400 -0.297 0.000 2.192 261 D HA -0.210 4.430 4.640 -0.000 0.000 0.189 261 D C 2.005 178.260 176.300 -0.076 0.000 1.007 261 D CA 1.219 55.108 54.000 -0.184 0.000 0.859 261 D CB 0.009 40.761 40.800 -0.080 0.000 0.936 261 D HN 0.456 nan 8.370 nan 0.000 0.447 262 L N 0.092 121.289 121.223 -0.042 0.000 2.046 262 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 262 L C 2.418 179.320 176.870 0.053 0.000 1.077 262 L CA 1.432 56.310 54.840 0.063 0.000 0.747 262 L CB -0.644 41.457 42.059 0.070 0.000 0.896 262 L HN 0.091 nan 8.230 nan 0.000 0.432 263 T N -0.549 113.988 114.554 -0.028 0.000 2.849 263 T HA -0.173 4.177 4.350 -0.000 0.000 0.270 263 T C 1.641 176.451 174.700 0.183 0.000 1.066 263 T CA 1.276 63.384 62.100 0.013 0.000 1.130 263 T CB -0.248 68.589 68.868 -0.052 0.000 0.864 263 T HN 0.256 nan 8.240 nan 0.000 0.481 264 F N 0.807 120.742 119.950 -0.026 0.000 2.179 264 F HA 0.056 4.583 4.527 -0.000 0.000 0.292 264 F C 2.393 178.149 175.800 -0.073 0.000 1.089 264 F CA 0.259 58.236 58.000 -0.039 0.000 1.295 264 F CB 0.021 39.004 39.000 -0.029 0.000 1.041 264 F HN -0.042 nan 8.300 nan 0.000 0.487 265 K N 0.811 121.289 120.400 0.130 0.000 2.360 265 K HA -0.078 4.242 4.320 -0.000 0.000 0.201 265 K C 1.685 178.207 176.600 -0.131 0.000 1.046 265 K CA 0.647 56.920 56.287 -0.024 0.000 0.945 265 K CB -0.375 32.149 32.500 0.040 0.000 0.750 265 K HN 0.280 nan 8.250 nan 0.000 0.464 266 L N -1.095 120.060 121.223 -0.114 0.000 2.127 266 L HA 0.001 4.341 4.340 -0.000 0.000 0.203 266 L C 2.256 179.071 176.870 -0.092 0.000 1.080 266 L CA 0.969 55.686 54.840 -0.205 0.000 0.768 266 L CB -0.572 41.383 42.059 -0.172 0.000 0.924 266 L HN 0.112 nan 8.230 nan 0.000 0.444 267 A N 0.186 122.996 122.820 -0.016 0.000 1.940 267 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 267 A C 1.802 179.379 177.584 -0.011 0.000 1.176 267 A CA 2.131 54.166 52.037 -0.004 0.000 0.631 267 A CB -0.534 18.475 19.000 0.017 0.000 0.814 267 A HN 0.343 nan 8.150 nan 0.000 0.446 268 D N 0.048 120.433 120.400 -0.026 0.000 2.084 268 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 268 D C 1.835 178.258 176.300 0.205 0.000 0.990 268 D CA 1.321 55.334 54.000 0.023 0.000 0.826 268 D CB -0.329 40.290 40.800 -0.302 0.000 0.971 268 D HN 0.500 nan 8.370 nan 0.000 0.453 269 I N 0.114 120.748 120.570 0.106 0.000 2.163 269 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 269 I C 2.244 178.371 176.117 0.018 0.000 1.085 269 I CA 0.504 61.855 61.300 0.085 0.000 1.347 269 I CB -0.187 37.770 38.000 -0.071 0.000 1.044 269 I HN 0.047 nan 8.210 nan 0.000 0.408 270 L N 1.042 122.252 121.223 -0.022 0.000 2.012 270 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 270 L C 2.462 179.316 176.870 -0.026 0.000 1.073 270 L CA 1.957 56.775 54.840 -0.037 0.000 0.748 270 L CB -0.673 41.364 42.059 -0.037 0.000 0.891 270 L HN 0.094 nan 8.230 nan 0.000 0.431 271 K N -1.030 119.369 120.400 -0.002 0.000 2.009 271 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 271 K C 2.034 178.632 176.600 -0.005 0.000 1.049 271 K CA 1.524 57.808 56.287 -0.005 0.000 0.929 271 K CB -0.502 32.006 32.500 0.014 0.000 0.714 271 K HN 0.415 nan 8.250 nan 0.000 0.440 272 A N 1.292 124.126 122.820 0.024 0.000 2.024 272 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 272 A C 1.859 179.423 177.584 -0.033 0.000 1.164 272 A CA 2.009 54.033 52.037 -0.021 0.000 0.643 272 A CB -0.609 18.351 19.000 -0.067 0.000 0.806 272 A HN 0.329 nan 8.150 nan 0.000 0.451 273 N N -0.108 118.576 118.700 -0.027 0.000 2.182 273 N HA 0.005 4.744 4.740 -0.000 0.000 0.186 273 N C 1.536 177.019 175.510 -0.045 0.000 1.036 273 N CA 1.370 54.399 53.050 -0.036 0.000 0.850 273 N CB -0.290 38.172 38.487 -0.042 0.000 1.010 273 N HN 0.416 nan 8.380 nan 0.000 0.432 274 I N 0.085 120.620 120.570 -0.059 0.000 2.185 274 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 274 I C 2.393 178.478 176.117 -0.054 0.000 1.088 274 I CA 1.282 62.537 61.300 -0.074 0.000 1.347 274 I CB -0.667 37.275 38.000 -0.097 0.000 1.041 274 I HN 0.269 nan 8.210 nan 0.000 0.415 275 S N 1.303 116.977 115.700 -0.043 0.000 2.351 275 S HA -0.243 4.227 4.470 -0.000 0.000 0.220 275 S C 2.073 176.658 174.600 -0.026 0.000 1.035 275 S CA 1.799 59.979 58.200 -0.034 0.000 1.031 275 S CB -0.499 62.682 63.200 -0.032 0.000 0.928 275 S HN 0.350 nan 8.310 nan 0.000 0.433 276 L N 2.250 123.458 121.223 -0.026 0.000 1.990 276 L HA -0.128 4.212 4.340 -0.000 0.000 0.213 276 L C 2.542 179.409 176.870 -0.006 0.000 1.072 276 L CA 2.830 57.661 54.840 -0.015 0.000 0.755 276 L CB -1.085 40.964 42.059 -0.016 0.000 0.889 276 L HN 0.604 nan 8.230 nan 0.000 0.432 277 E N -1.377 118.816 120.200 -0.012 0.000 2.118 277 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 277 E C 1.639 178.247 176.600 0.014 0.000 0.992 277 E CA 1.733 58.130 56.400 -0.005 0.000 0.804 277 E CB -0.171 29.511 29.700 -0.031 0.000 0.741 277 E HN 0.566 nan 8.360 nan 0.000 0.458 278 T N 0.911 115.465 114.554 -0.001 0.000 3.155 278 T HA 0.017 4.367 4.350 -0.000 0.000 0.264 278 T C 1.378 176.094 174.700 0.026 0.000 1.160 278 T CA 0.462 62.572 62.100 0.017 0.000 1.075 278 T CB 0.013 68.875 68.868 -0.009 0.000 0.921 278 T HN 0.196 nan 8.240 nan 0.000 0.533 279 L N -0.502 120.731 121.223 0.017 0.000 2.701 279 L HA 0.322 4.662 4.340 -0.000 0.000 0.238 279 L C 2.001 178.877 176.870 0.009 0.000 1.106 279 L CA 0.384 55.226 54.840 0.003 0.000 0.898 279 L CB 0.150 42.205 42.059 -0.006 0.000 1.188 279 L HN 0.173 nan 8.230 nan 0.000 0.508 280 E N -0.990 119.233 120.200 0.038 0.000 2.431 280 E HA -0.074 4.275 4.350 -0.000 0.000 0.200 280 E C 1.045 177.690 176.600 0.076 0.000 0.995 280 E CA 0.156 56.584 56.400 0.048 0.000 0.915 280 E CB 0.404 30.138 29.700 0.056 0.000 0.930 280 E HN 0.348 nan 8.360 nan 0.000 0.496 281 H N 0.157 119.217 119.070 -0.016 0.000 2.586 281 H HA 0.281 4.836 4.556 -0.000 0.000 0.273 281 H C 0.046 175.360 175.328 -0.023 0.000 0.997 281 H CA 0.253 56.292 56.048 -0.016 0.000 1.177 281 H CB 0.298 30.049 29.762 -0.018 0.000 1.471 281 H HN -0.004 nan 8.280 nan 0.000 0.538 282 N N -1.912 116.769 118.700 -0.031 0.000 3.379 282 N HA 0.277 5.016 4.740 -0.000 0.000 0.350 282 N C -0.389 175.071 175.510 -0.083 0.000 1.553 282 N CA -0.775 52.231 53.050 -0.073 0.000 0.712 282 N CB 0.726 39.199 38.487 -0.024 0.000 1.880 282 N HN 0.110 nan 8.380 nan 0.000 0.648 283 G N 0.113 108.865 108.800 -0.079 0.000 2.298 283 G HA2 0.293 4.252 3.960 -0.000 0.000 0.284 283 G HA3 0.293 4.252 3.960 -0.000 0.000 0.284 283 G C -0.258 174.574 174.900 -0.112 0.000 1.013 283 G CA -0.017 45.025 45.100 -0.097 0.000 1.365 283 G HN 0.516 nan 8.290 nan 0.000 0.415 284 A N 6.099 128.819 122.820 -0.165 0.000 3.016 284 A HA 0.526 4.845 4.320 -0.000 0.000 0.303 284 A C -1.535 175.852 177.584 -0.328 0.000 1.507 284 A CA -1.439 50.482 52.037 -0.194 0.000 1.196 284 A CB 0.355 19.256 19.000 -0.164 0.000 1.169 284 A HN 0.511 nan 8.150 nan 0.000 0.544 285 P HA -0.059 nan 4.420 nan 0.000 0.245 285 P C 0.615 177.836 177.300 -0.131 0.000 1.670 285 P CA 0.166 63.151 63.100 -0.193 0.000 1.146 285 P CB -0.433 31.212 31.700 -0.090 0.000 1.954 286 H N 0.770 119.779 119.070 -0.102 0.000 2.316 286 H HA -0.225 4.331 4.556 -0.000 0.000 0.249 286 H C 0.333 175.672 175.328 0.018 0.000 1.182 286 H CA 1.918 57.870 56.048 -0.160 0.000 1.193 286 H CB -1.034 28.473 29.762 -0.425 0.000 1.517 286 H HN 0.621 nan 8.280 nan 0.000 0.544 287 H N -1.582 117.553 119.070 0.108 0.000 2.500 287 H HA 0.642 5.198 4.556 -0.000 0.000 0.243 287 H C 0.677 176.019 175.328 0.023 0.000 1.318 287 H CA 0.310 56.392 56.048 0.056 0.000 1.077 287 H CB 0.524 30.317 29.762 0.051 0.000 1.748 287 H HN 0.466 nan 8.280 nan 0.000 0.556 288 A N -0.184 122.707 122.820 0.118 0.000 2.644 288 A HA 0.191 4.510 4.320 -0.000 0.000 0.193 288 A C 1.526 179.129 177.584 0.033 0.000 1.464 288 A CA -0.115 51.951 52.037 0.050 0.000 1.095 288 A CB 0.081 19.092 19.000 0.017 0.000 1.405 288 A HN 0.370 nan 8.150 nan 0.000 0.558 289 I N 0.824 121.426 120.570 0.054 0.000 2.494 289 I HA -0.107 4.063 4.170 -0.000 0.000 0.250 289 I C 2.306 178.446 176.117 0.039 0.000 1.112 289 I CA 1.548 62.871 61.300 0.039 0.000 1.438 289 I CB 0.133 38.165 38.000 0.054 0.000 1.111 289 I HN 0.586 nan 8.210 nan 0.000 0.431 290 E N 0.447 120.686 120.200 0.066 0.000 2.347 290 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 290 E C 1.415 178.016 176.600 0.002 0.000 1.008 290 E CA 0.744 57.163 56.400 0.031 0.000 0.852 290 E CB -0.250 29.465 29.700 0.025 0.000 0.783 290 E HN 0.564 nan 8.360 nan 0.000 0.505 291 E N 0.847 121.052 120.200 0.008 0.000 2.285 291 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 291 E C 1.651 178.234 176.600 -0.029 0.000 0.997 291 E CA 0.802 57.195 56.400 -0.012 0.000 0.845 291 E CB 0.141 29.840 29.700 -0.003 0.000 0.782 291 E HN 0.406 nan 8.360 nan 0.000 0.491 292 A N 0.787 123.593 122.820 -0.024 0.000 2.348 292 A HA 0.047 4.367 4.320 -0.000 0.000 0.224 292 A C 1.747 179.307 177.584 -0.040 0.000 1.227 292 A CA -0.116 51.897 52.037 -0.039 0.000 0.885 292 A CB 0.175 19.156 19.000 -0.032 0.000 0.933 292 A HN 0.084 nan 8.150 nan 0.000 0.506 293 E N 0.577 120.760 120.200 -0.027 0.000 2.086 293 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 293 E C 2.067 178.647 176.600 -0.033 0.000 0.975 293 E CA 1.145 57.530 56.400 -0.026 0.000 0.813 293 E CB 0.077 29.766 29.700 -0.018 0.000 0.768 293 E HN 0.668 nan 8.360 nan 0.000 0.457 294 S N 1.010 116.690 115.700 -0.033 0.000 2.442 294 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 294 S C 2.025 176.621 174.600 -0.007 0.000 1.007 294 S CA 0.789 58.977 58.200 -0.020 0.000 0.965 294 S CB -0.341 62.845 63.200 -0.024 0.000 0.773 294 S HN 0.264 nan 8.310 nan 0.000 0.504 295 L N 0.714 121.903 121.223 -0.057 0.000 2.046 295 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 295 L C 2.221 179.025 176.870 -0.110 0.000 1.077 295 L CA 1.389 56.160 54.840 -0.114 0.000 0.747 295 L CB -0.695 41.258 42.059 -0.177 0.000 0.896 295 L HN 0.340 nan 8.230 nan 0.000 0.432 296 L N -0.328 120.849 121.223 -0.078 0.000 2.027 296 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 296 L C 2.591 179.479 176.870 0.031 0.000 1.074 296 L CA 2.118 56.934 54.840 -0.039 0.000 0.745 296 L CB -0.973 41.069 42.059 -0.028 0.000 0.898 296 L HN 0.522 nan 8.230 nan 0.000 0.433 297 Q N -1.198 118.623 119.800 0.034 0.000 2.248 297 Q HA -0.282 4.058 4.340 -0.000 0.000 0.208 297 Q C 1.968 178.049 176.000 0.135 0.000 0.984 297 Q CA 2.110 57.947 55.803 0.056 0.000 0.875 297 Q CB -0.617 28.131 28.738 0.015 0.000 0.910 297 Q HN 0.555 nan 8.270 nan 0.000 0.433 298 F N -0.479 119.474 119.950 0.006 0.000 2.074 298 F HA -0.061 4.466 4.527 -0.000 0.000 0.293 298 F C 1.964 177.863 175.800 0.164 0.000 1.116 298 F CA 2.065 60.103 58.000 0.064 0.000 1.212 298 F CB -0.604 38.416 39.000 0.033 0.000 0.998 298 F HN 0.222 nan 8.300 nan 0.000 0.471 299 H N -0.883 118.187 119.070 0.000 0.000 2.267 299 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 299 H C 2.257 177.524 175.328 -0.103 0.000 1.080 299 H CA 1.511 57.482 56.048 -0.129 0.000 1.278 299 H CB -0.498 29.271 29.762 0.012 0.000 1.365 299 H HN 0.142 nan 8.280 nan 0.000 0.489 300 V N 0.874 120.845 119.914 0.095 0.000 2.982 300 V HA -0.256 3.864 4.120 -0.000 0.000 0.265 300 V C 2.254 178.373 176.094 0.042 0.000 1.122 300 V CA 1.411 63.747 62.300 0.061 0.000 1.143 300 V CB -0.690 31.157 31.823 0.039 0.000 0.726 300 V HN 0.512 nan 8.190 nan 0.000 0.507 301 A N -1.395 121.418 122.820 -0.012 0.000 1.920 301 A HA -0.062 4.258 4.320 -0.000 0.000 0.209 301 A C 2.333 179.855 177.584 -0.103 0.000 1.229 301 A CA 1.414 53.420 52.037 -0.051 0.000 0.671 301 A CB -0.657 18.340 19.000 -0.005 0.000 0.886 301 A HN 0.361 nan 8.150 nan 0.000 0.461 302 T N -1.166 113.252 114.554 -0.227 0.000 2.720 302 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 302 T C 1.730 176.370 174.700 -0.101 0.000 1.037 302 T CA 2.021 63.947 62.100 -0.290 0.000 1.144 302 T CB -0.452 68.031 68.868 -0.642 0.000 0.864 302 T HN 0.565 nan 8.240 nan 0.000 0.444 303 Y N 1.095 121.292 120.300 -0.171 0.000 2.207 303 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 303 Y C 2.041 177.890 175.900 -0.085 0.000 1.156 303 Y CA 1.520 59.551 58.100 -0.114 0.000 1.182 303 Y CB -0.335 38.072 38.460 -0.088 0.000 0.979 303 Y HN 0.243 nan 8.280 nan 0.000 0.521 304 M N -0.816 118.668 119.600 -0.194 0.000 2.171 304 M HA 0.001 4.481 4.480 -0.000 0.000 0.260 304 M C 0.199 176.422 176.300 -0.128 0.000 1.087 304 M CA 1.221 56.363 55.300 -0.264 0.000 1.154 304 M CB -0.059 32.409 32.600 -0.220 0.000 1.331 304 M HN 0.077 nan 8.290 nan 0.000 0.431 305 D N 0.014 120.369 120.400 -0.075 0.000 2.498 305 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 305 D C -1.190 175.075 176.300 -0.057 0.000 1.070 305 D CA -0.083 53.892 54.000 -0.041 0.000 0.842 305 D CB 1.578 42.387 40.800 0.016 0.000 1.361 305 D HN -0.019 nan 8.370 nan 0.000 0.484 306 N N 2.272 120.942 118.700 -0.048 0.000 2.305 306 N HA 0.122 4.861 4.740 -0.000 0.000 0.248 306 N C -1.385 174.118 175.510 -0.011 0.000 1.290 306 N CA -0.168 52.855 53.050 -0.045 0.000 0.873 306 N CB 0.425 38.880 38.487 -0.052 0.000 1.261 306 N HN 0.272 nan 8.380 nan 0.000 0.504 307 D N 0.168 120.565 120.400 -0.006 0.000 2.957 307 D HA 0.302 4.942 4.640 -0.000 0.000 0.352 307 D C 0.596 176.907 176.300 0.017 0.000 1.352 307 D CA -0.240 53.763 54.000 0.005 0.000 0.831 307 D CB 0.942 41.736 40.800 -0.011 0.000 1.147 307 D HN 0.248 nan 8.370 nan 0.000 0.467 308 I N 0.008 120.599 120.570 0.034 0.000 3.080 308 I HA 0.236 4.405 4.170 -0.000 0.000 0.213 308 I C 1.771 177.918 176.117 0.050 0.000 1.298 308 I CA -0.459 60.870 61.300 0.048 0.000 0.726 308 I CB 0.368 38.409 38.000 0.068 0.000 1.751 308 I HN 0.078 nan 8.210 nan 0.000 0.957 309 A N 0.602 123.457 122.820 0.058 0.000 1.920 309 A HA 0.207 4.527 4.320 -0.000 0.000 0.209 309 A C 1.607 179.228 177.584 0.061 0.000 1.229 309 A CA 0.739 52.807 52.037 0.052 0.000 0.671 309 A CB -0.963 18.067 19.000 0.050 0.000 0.886 309 A HN 0.808 nan 8.150 nan 0.000 0.461 310 G N 0.298 109.144 108.800 0.078 0.000 2.734 310 G HA2 0.300 4.259 3.960 -0.000 0.000 0.287 310 G HA3 0.300 4.259 3.960 -0.000 0.000 0.287 310 G C 0.525 175.483 174.900 0.097 0.000 0.728 310 G CA 0.151 45.302 45.100 0.085 0.000 1.999 310 G HN 0.575 nan 8.290 nan 0.000 0.535 311 Q N 0.871 120.715 119.800 0.075 0.000 2.266 311 Q HA -0.240 4.100 4.340 -0.000 0.000 0.222 311 Q C -0.923 175.136 176.000 0.099 0.000 1.078 311 Q CA 1.863 57.709 55.803 0.073 0.000 0.964 311 Q CB -1.443 27.326 28.738 0.052 0.000 1.094 311 Q HN 0.471 nan 8.270 nan 0.000 0.465 312 P HA -0.164 nan 4.420 nan 0.000 0.220 312 P C -0.727 176.708 177.300 0.225 0.000 1.000 312 P CA 0.989 64.176 63.100 0.145 0.000 1.063 312 P CB -0.192 31.578 31.700 0.117 0.000 1.023 313 Q N 3.388 123.280 119.800 0.155 0.000 2.247 313 Q HA 0.238 4.578 4.340 -0.000 0.000 0.234 313 Q C 0.234 176.324 176.000 0.151 0.000 0.899 313 Q CA -0.327 55.556 55.803 0.133 0.000 0.951 313 Q CB -0.592 28.192 28.738 0.077 0.000 1.057 313 Q HN 0.537 nan 8.270 nan 0.000 0.444 314 A N 1.015 124.005 122.820 0.282 0.000 1.852 314 A HA -0.184 4.135 4.320 -0.000 0.000 0.247 314 A C -0.055 177.610 177.584 0.136 0.000 1.259 314 A CA 0.543 52.752 52.037 0.287 0.000 0.749 314 A CB -1.827 17.275 19.000 0.170 0.000 1.176 314 A HN 0.624 nan 8.150 nan 0.000 0.290 315 L N -0.137 121.157 121.223 0.118 0.000 2.399 315 L HA 0.599 4.938 4.340 -0.000 0.000 0.266 315 L C 0.640 177.554 176.870 0.073 0.000 1.114 315 L CA -0.851 54.035 54.840 0.077 0.000 0.804 315 L CB 0.656 42.753 42.059 0.063 0.000 1.146 315 L HN 0.712 nan 8.230 nan 0.000 0.451 316 Q N 1.519 121.358 119.800 0.065 0.000 2.212 316 Q HA 0.208 4.547 4.340 -0.000 0.000 0.238 316 Q C -0.515 175.520 176.000 0.059 0.000 0.955 316 Q CA -0.868 54.979 55.803 0.072 0.000 0.906 316 Q CB 1.237 30.038 28.738 0.106 0.000 1.215 316 Q HN 0.622 nan 8.270 nan 0.000 0.478 317 K N 1.589 122.020 120.400 0.051 0.000 2.321 317 K HA -0.088 4.231 4.320 -0.000 0.000 0.266 317 K C -0.307 176.319 176.600 0.044 0.000 1.215 317 K CA 0.967 57.275 56.287 0.035 0.000 1.225 317 K CB -0.524 31.987 32.500 0.018 0.000 0.827 317 K HN 0.816 nan 8.250 nan 0.000 0.478 318 S N 0.615 116.336 115.700 0.035 0.000 2.470 318 S HA -0.075 4.395 4.470 -0.000 0.000 0.214 318 S C 1.151 175.768 174.600 0.029 0.000 1.190 318 S CA 0.395 58.613 58.200 0.031 0.000 1.023 318 S CB -1.832 61.389 63.200 0.037 0.000 1.200 318 S HN 1.549 nan 8.310 nan 0.000 0.629 319 G N 1.997 110.817 108.800 0.033 0.000 2.317 319 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.227 319 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.227 319 G C -0.010 174.910 174.900 0.033 0.000 1.042 319 G CA 0.313 45.431 45.100 0.031 0.000 0.623 319 G HN 0.834 nan 8.290 nan 0.000 0.509 320 R N 2.053 122.572 120.500 0.032 0.000 2.473 320 R HA 0.187 4.527 4.340 -0.000 0.000 0.315 320 R C -0.973 175.348 176.300 0.034 0.000 0.972 320 R CA -0.549 55.568 56.100 0.029 0.000 1.047 320 R CB 0.455 30.772 30.300 0.028 0.000 0.932 320 R HN 0.173 nan 8.270 nan 0.000 0.411 321 P HA -0.191 nan 4.420 nan 0.000 0.218 321 P C -0.401 176.914 177.300 0.025 0.000 1.152 321 P CA 0.903 64.020 63.100 0.029 0.000 0.857 321 P CB 0.149 31.860 31.700 0.018 0.000 0.787 322 V N -2.288 117.637 119.914 0.017 0.000 3.161 322 V HA -0.130 3.989 4.120 -0.000 0.000 0.456 322 V C -0.540 175.548 176.094 -0.009 0.000 0.682 322 V CA -0.354 61.954 62.300 0.012 0.000 1.992 322 V CB -0.669 31.169 31.823 0.026 0.000 2.464 322 V HN 0.123 nan 8.190 nan 0.000 0.494 323 K N 5.086 125.473 120.400 -0.021 0.000 2.412 323 K HA 0.479 4.798 4.320 -0.000 0.000 0.284 323 K C 0.448 177.018 176.600 -0.051 0.000 1.046 323 K CA 0.719 56.983 56.287 -0.038 0.000 0.999 323 K CB 0.706 33.178 32.500 -0.045 0.000 0.941 323 K HN 0.860 nan 8.250 nan 0.000 0.474 324 S N 2.453 118.113 115.700 -0.066 0.000 2.601 324 S HA 0.266 4.736 4.470 -0.000 0.000 0.271 324 S C 1.448 175.971 174.600 -0.129 0.000 1.305 324 S CA -0.879 57.262 58.200 -0.099 0.000 1.022 324 S CB 0.715 63.862 63.200 -0.088 0.000 0.940 324 S HN 0.507 nan 8.310 nan 0.000 0.525 325 I N 0.972 121.421 120.570 -0.203 0.000 2.151 325 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 325 I C 2.907 178.937 176.117 -0.144 0.000 1.080 325 I CA 1.828 63.013 61.300 -0.192 0.000 1.339 325 I CB -0.371 37.464 38.000 -0.275 0.000 1.039 325 I HN 0.787 nan 8.210 nan 0.000 0.409 326 R N 1.392 121.808 120.500 -0.141 0.000 2.139 326 R HA -0.225 4.115 4.340 -0.000 0.000 0.243 326 R C 2.228 178.452 176.300 -0.127 0.000 1.145 326 R CA 1.758 57.769 56.100 -0.148 0.000 0.976 326 R CB -0.281 29.949 30.300 -0.117 0.000 0.866 326 R HN 0.392 nan 8.270 nan 0.000 0.449 327 A N 0.843 123.602 122.820 -0.102 0.000 1.930 327 A HA -0.088 4.231 4.320 -0.000 0.000 0.217 327 A C 2.081 179.616 177.584 -0.082 0.000 1.175 327 A CA 1.168 53.155 52.037 -0.084 0.000 0.627 327 A CB -0.379 18.580 19.000 -0.068 0.000 0.815 327 A HN 0.375 nan 8.150 nan 0.000 0.443 328 R N -0.319 120.130 120.500 -0.085 0.000 2.105 328 R HA -0.091 4.249 4.340 -0.000 0.000 0.239 328 R C 1.668 177.924 176.300 -0.074 0.000 1.135 328 R CA 1.590 57.645 56.100 -0.074 0.000 0.967 328 R CB -0.469 29.787 30.300 -0.073 0.000 0.861 328 R HN 0.557 nan 8.270 nan 0.000 0.442 329 L N 0.233 121.400 121.223 -0.093 0.000 2.477 329 L HA 0.127 4.467 4.340 -0.000 0.000 0.220 329 L C 0.975 177.787 176.870 -0.097 0.000 1.106 329 L CA -0.003 54.781 54.840 -0.094 0.000 0.851 329 L CB -0.281 41.707 42.059 -0.118 0.000 0.994 329 L HN 0.004 nan 8.230 nan 0.000 0.462 330 K N 1.959 122.297 120.400 -0.103 0.000 2.524 330 K HA 0.097 4.417 4.320 -0.000 0.000 0.279 330 K C 0.738 177.289 176.600 -0.083 0.000 0.993 330 K CA 0.198 56.424 56.287 -0.101 0.000 1.030 330 K CB 0.533 32.975 32.500 -0.097 0.000 0.891 330 K HN 0.145 nan 8.250 nan 0.000 0.488 331 G N 3.807 112.555 108.800 -0.087 0.000 2.281 331 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 331 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 331 G C -0.600 174.267 174.900 -0.055 0.000 1.053 331 G CA 0.531 45.588 45.100 -0.071 0.000 0.874 331 G HN 0.919 nan 8.290 nan 0.000 0.450 332 K N 1.732 122.112 120.400 -0.034 0.000 7.525 332 K HA -0.270 4.050 4.320 -0.000 0.000 0.614 332 K C 0.978 177.560 176.600 -0.030 0.000 2.593 332 K CA 1.090 57.363 56.287 -0.024 0.000 1.986 332 K CB -0.077 32.406 32.500 -0.029 0.000 1.989 332 K HN 0.952 nan 8.250 nan 0.000 0.290 333 E N -1.578 118.608 120.200 -0.022 0.000 3.904 333 E HA -0.260 4.090 4.350 -0.000 0.000 0.316 333 E C 0.867 177.449 176.600 -0.030 0.000 0.643 333 E CA 1.972 58.357 56.400 -0.025 0.000 1.129 333 E CB -1.725 27.958 29.700 -0.029 0.000 1.635 333 E HN 0.840 nan 8.360 nan 0.000 0.424 334 G N 0.363 109.141 108.800 -0.035 0.000 2.583 334 G HA2 0.114 4.074 3.960 -0.000 0.000 0.275 334 G HA3 0.114 4.074 3.960 -0.000 0.000 0.275 334 G C 0.787 175.665 174.900 -0.036 0.000 1.342 334 G CA 0.573 45.648 45.100 -0.043 0.000 1.030 334 G HN 0.116 nan 8.290 nan 0.000 0.520 335 R N -1.165 119.310 120.500 -0.041 0.000 2.055 335 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 335 R C 2.527 178.812 176.300 -0.025 0.000 1.135 335 R CA 0.837 56.918 56.100 -0.033 0.000 0.959 335 R CB -0.683 29.595 30.300 -0.037 0.000 0.854 335 R HN 0.441 nan 8.270 nan 0.000 0.431 336 I N 0.925 121.478 120.570 -0.028 0.000 2.060 336 I HA -0.182 3.987 4.170 -0.000 0.000 0.233 336 I C 2.333 178.445 176.117 -0.008 0.000 1.054 336 I CA 1.430 62.720 61.300 -0.017 0.000 1.318 336 I CB -1.079 36.908 38.000 -0.021 0.000 1.054 336 I HN 0.246 nan 8.210 nan 0.000 0.395 337 R N 0.243 120.738 120.500 -0.008 0.000 2.127 337 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 337 R C 1.813 178.113 176.300 -0.000 0.000 1.134 337 R CA 1.513 57.615 56.100 0.003 0.000 0.975 337 R CB -0.447 29.855 30.300 0.002 0.000 0.865 337 R HN 0.519 nan 8.270 nan 0.000 0.447 338 G N -1.530 107.265 108.800 -0.009 0.000 3.228 338 G HA2 0.006 3.966 3.960 -0.000 0.000 0.245 338 G HA3 0.006 3.966 3.960 -0.000 0.000 0.245 338 G C 0.805 175.700 174.900 -0.008 0.000 1.051 338 G CA -0.272 44.823 45.100 -0.008 0.000 0.809 338 G HN 0.185 nan 8.290 nan 0.000 0.531 339 N N -0.384 118.310 118.700 -0.010 0.000 2.360 339 N HA 0.226 4.966 4.740 -0.000 0.000 0.211 339 N C 1.648 177.153 175.510 -0.008 0.000 1.147 339 N CA 0.070 53.115 53.050 -0.009 0.000 0.866 339 N CB 0.770 39.249 38.487 -0.013 0.000 1.206 339 N HN 0.221 nan 8.380 nan 0.000 0.478 340 L N -0.048 121.171 121.223 -0.007 0.000 2.519 340 L HA 0.259 4.599 4.340 -0.000 0.000 0.194 340 L C 1.573 178.440 176.870 -0.005 0.000 1.072 340 L CA 0.274 55.111 54.840 -0.006 0.000 0.845 340 L CB -0.149 41.908 42.059 -0.004 0.000 1.138 340 L HN -0.052 nan 8.230 nan 0.000 0.487 341 M N 0.314 119.914 119.600 -0.000 0.000 2.630 341 M HA 0.209 4.688 4.480 -0.000 0.000 0.254 341 M C 0.700 176.998 176.300 -0.003 0.000 1.092 341 M CA 0.359 55.659 55.300 0.001 0.000 1.087 341 M CB -0.807 31.802 32.600 0.014 0.000 1.453 341 M HN 0.236 nan 8.290 nan 0.000 0.509 342 G N 0.791 109.588 108.800 -0.004 0.000 2.667 342 G HA2 0.586 4.546 3.960 -0.000 0.000 0.294 342 G HA3 0.586 4.546 3.960 -0.000 0.000 0.294 342 G C -1.318 173.580 174.900 -0.003 0.000 1.467 342 G CA -0.839 44.258 45.100 -0.005 0.000 0.852 342 G HN 0.233 nan 8.290 nan 0.000 0.521 343 K N -0.321 120.079 120.400 0.000 0.000 2.658 343 K HA 0.532 4.852 4.320 -0.000 0.000 0.293 343 K C -0.859 175.753 176.600 0.021 0.000 1.026 343 K CA -1.232 55.059 56.287 0.007 0.000 0.871 343 K CB 1.398 33.900 32.500 0.002 0.000 1.524 343 K HN 0.627 nan 8.250 nan 0.000 0.400 344 R N 0.851 121.366 120.500 0.025 0.000 2.490 344 R HA 0.452 4.792 4.340 -0.000 0.000 0.280 344 R C 0.153 176.485 176.300 0.052 0.000 1.077 344 R CA -0.814 55.311 56.100 0.042 0.000 1.065 344 R CB 0.917 31.235 30.300 0.029 0.000 1.003 344 R HN 0.537 nan 8.270 nan 0.000 0.470 345 V N -1.783 118.182 119.914 0.085 0.000 3.078 345 V HA 0.412 4.531 4.120 -0.000 0.000 0.311 345 V C -0.670 175.506 176.094 0.137 0.000 1.138 345 V CA -1.255 61.109 62.300 0.107 0.000 1.007 345 V CB 2.342 34.236 31.823 0.118 0.000 1.045 345 V HN 0.568 nan 8.190 nan 0.000 0.432 346 D N 1.369 121.871 120.400 0.171 0.000 2.377 346 D HA 0.439 5.079 4.640 -0.000 0.000 0.245 346 D C -0.079 176.429 176.300 0.347 0.000 1.196 346 D CA 0.353 54.469 54.000 0.194 0.000 0.962 346 D CB 0.126 41.112 40.800 0.310 0.000 1.127 346 D HN 0.727 nan 8.370 nan 0.000 0.471 347 F N -0.501 119.484 119.950 0.058 0.000 2.572 347 F HA -0.241 4.286 4.527 -0.000 0.000 0.282 347 F C 0.202 176.061 175.800 0.098 0.000 1.047 347 F CA 0.169 58.215 58.000 0.075 0.000 1.022 347 F CB -1.956 37.093 39.000 0.082 0.000 1.226 347 F HN 0.185 nan 8.300 nan 0.000 0.827 348 S N -0.757 115.013 115.700 0.116 0.000 2.550 348 S HA 1.003 5.473 4.470 -0.000 0.000 0.270 348 S C -0.633 173.970 174.600 0.005 0.000 1.145 348 S CA -0.464 57.756 58.200 0.032 0.000 0.852 348 S CB 2.328 65.555 63.200 0.045 0.000 1.119 348 S HN 1.415 nan 8.310 nan 0.000 0.465 349 A N 1.125 123.946 122.820 0.001 0.000 2.566 349 A HA 0.968 5.287 4.320 -0.000 0.000 0.292 349 A C -0.837 176.869 177.584 0.203 0.000 1.112 349 A CA -0.943 51.164 52.037 0.118 0.000 0.707 349 A CB 1.890 21.029 19.000 0.231 0.000 1.302 349 A HN 1.085 nan 8.150 nan 0.000 0.409 350 R N 0.179 120.800 120.500 0.202 0.000 2.560 350 R HA 0.588 4.928 4.340 -0.000 0.000 0.267 350 R C -1.404 174.901 176.300 0.008 0.000 1.150 350 R CA 0.506 56.743 56.100 0.229 0.000 0.997 350 R CB 1.738 32.093 30.300 0.093 0.000 1.250 350 R HN 1.422 nan 8.270 nan 0.000 0.433 351 T N -0.852 113.643 114.554 -0.097 0.000 2.769 351 T HA 0.314 4.664 4.350 -0.000 0.000 0.306 351 T C -0.566 174.058 174.700 -0.128 0.000 1.400 351 T CA -0.696 61.254 62.100 -0.250 0.000 1.007 351 T CB 1.272 69.832 68.868 -0.513 0.000 1.392 351 T HN 0.190 nan 8.240 nan 0.000 0.500 352 V N 2.267 122.123 119.914 -0.097 0.000 2.814 352 V HA 0.249 4.369 4.120 -0.000 0.000 0.307 352 V C 0.887 176.986 176.094 0.008 0.000 1.089 352 V CA 0.111 62.400 62.300 -0.018 0.000 1.212 352 V CB -0.255 31.553 31.823 -0.025 0.000 0.912 352 V HN 0.875 nan 8.190 nan 0.000 0.497 353 I N 2.590 123.219 120.570 0.099 0.000 2.707 353 I HA 0.913 5.082 4.170 -0.000 0.000 0.309 353 I C -0.157 175.929 176.117 -0.053 0.000 1.001 353 I CA -0.279 61.094 61.300 0.121 0.000 1.129 353 I CB 2.379 40.537 38.000 0.263 0.000 1.308 353 I HN 0.676 nan 8.210 nan 0.000 0.466 354 S N 2.523 118.024 115.700 -0.331 0.000 2.533 354 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 354 S C -0.248 173.727 174.600 -1.043 0.000 1.143 354 S CA -0.637 57.004 58.200 -0.931 0.000 0.891 354 S CB 1.002 63.921 63.200 -0.468 0.000 1.105 354 S HN 1.164 nan 8.310 nan 0.000 0.468 355 G N 0.479 108.193 108.800 -1.810 0.000 2.544 355 G HA2 0.464 4.424 3.960 -0.000 0.000 0.242 355 G HA3 0.464 4.424 3.960 -0.000 0.000 0.242 355 G C -0.980 173.776 174.900 -0.239 0.000 1.247 355 G CA -0.049 44.703 45.100 -0.579 0.000 0.840 355 G HN 0.734 nan 8.290 nan 0.000 0.578 356 D N 1.187 121.549 120.400 -0.063 0.000 2.479 356 D HA 0.244 4.884 4.640 -0.000 0.000 0.246 356 D C -2.017 174.304 176.300 0.036 0.000 1.336 356 D CA -1.457 52.528 54.000 -0.025 0.000 0.967 356 D CB 2.518 43.301 40.800 -0.028 0.000 1.275 356 D HN 0.134 nan 8.370 nan 0.000 0.577 357 P HA 0.107 nan 4.420 nan 0.000 0.258 357 P C 0.211 177.562 177.300 0.085 0.000 1.319 357 P CA 0.102 63.241 63.100 0.065 0.000 0.785 357 P CB 0.381 32.106 31.700 0.042 0.000 1.252 358 N N -0.691 118.060 118.700 0.085 0.000 2.171 358 N HA 0.193 4.933 4.740 -0.000 0.000 0.212 358 N C 0.259 175.824 175.510 0.091 0.000 1.184 358 N CA -0.051 53.069 53.050 0.117 0.000 0.888 358 N CB 0.868 39.431 38.487 0.128 0.000 1.038 358 N HN 0.238 nan 8.380 nan 0.000 0.517 359 L N 1.258 122.524 121.223 0.072 0.000 2.334 359 L HA 0.294 4.634 4.340 -0.000 0.000 0.275 359 L C 0.555 177.465 176.870 0.066 0.000 1.036 359 L CA -0.715 54.159 54.840 0.057 0.000 0.807 359 L CB 1.306 43.389 42.059 0.040 0.000 1.231 359 L HN -0.147 nan 8.230 nan 0.000 0.438 360 E N 1.180 121.412 120.200 0.053 0.000 2.404 360 E HA -0.029 4.320 4.350 -0.000 0.000 0.261 360 E C 0.748 177.370 176.600 0.038 0.000 1.074 360 E CA -0.161 56.270 56.400 0.051 0.000 0.917 360 E CB 0.858 30.578 29.700 0.034 0.000 0.965 360 E HN 0.409 nan 8.360 nan 0.000 0.433 361 L N 2.500 123.730 121.223 0.013 0.000 2.034 361 L HA -0.260 4.080 4.340 -0.000 0.000 0.217 361 L C 1.349 178.187 176.870 -0.053 0.000 1.077 361 L CA 2.478 57.279 54.840 -0.065 0.000 0.769 361 L CB -0.378 41.546 42.059 -0.226 0.000 0.890 361 L HN 0.578 nan 8.230 nan 0.000 0.435 362 D N -1.584 118.775 120.400 -0.067 0.000 2.370 362 D HA -0.003 4.637 4.640 -0.000 0.000 0.230 362 D C 0.464 176.786 176.300 0.035 0.000 1.143 362 D CA -0.087 53.853 54.000 -0.100 0.000 0.834 362 D CB -0.184 40.536 40.800 -0.134 0.000 0.944 362 D HN 0.526 nan 8.370 nan 0.000 0.504 363 Q N -0.559 119.295 119.800 0.090 0.000 2.199 363 Q HA 0.585 4.925 4.340 -0.000 0.000 0.205 363 Q C -0.907 175.131 176.000 0.063 0.000 1.001 363 Q CA -1.144 54.698 55.803 0.065 0.000 1.019 363 Q CB 2.640 31.391 28.738 0.021 0.000 1.132 363 Q HN 0.028 nan 8.270 nan 0.000 0.530 364 V N 0.103 119.951 119.914 -0.110 0.000 2.671 364 V HA 0.393 4.513 4.120 -0.000 0.000 0.292 364 V C -0.836 175.109 176.094 -0.249 0.000 1.115 364 V CA -0.385 61.697 62.300 -0.364 0.000 0.918 364 V CB 1.448 32.772 31.823 -0.833 0.000 1.036 364 V HN 0.825 nan 8.190 nan 0.000 0.445 365 G N 5.706 114.410 108.800 -0.161 0.000 2.335 365 G HA2 0.444 4.404 3.960 -0.000 0.000 0.268 365 G HA3 0.444 4.404 3.960 -0.000 0.000 0.268 365 G C -0.456 174.444 174.900 0.000 0.000 1.228 365 G CA 0.015 45.078 45.100 -0.061 0.000 0.968 365 G HN 0.874 nan 8.290 nan 0.000 0.459 366 V N 6.664 126.580 119.914 0.003 0.000 2.357 366 V HA 0.296 4.416 4.120 -0.000 0.000 0.284 366 V C -1.780 174.318 176.094 0.005 0.000 1.018 366 V CA -1.777 60.573 62.300 0.084 0.000 0.841 366 V CB 1.994 33.847 31.823 0.050 0.000 0.991 366 V HN 0.646 nan 8.190 nan 0.000 0.437 367 P HA -0.000 nan 4.420 nan 0.000 0.262 367 P C 0.624 177.849 177.300 -0.125 0.000 1.182 367 P CA 0.132 63.174 63.100 -0.097 0.000 0.761 367 P CB 0.953 32.564 31.700 -0.148 0.000 0.795 368 K N 3.290 123.579 120.400 -0.185 0.000 2.089 368 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 368 K C 2.075 178.557 176.600 -0.197 0.000 1.048 368 K CA 2.316 58.439 56.287 -0.273 0.000 0.926 368 K CB -0.473 31.849 32.500 -0.297 0.000 0.714 368 K HN 0.472 nan 8.250 nan 0.000 0.448 369 S N 0.666 116.280 115.700 -0.143 0.000 2.372 369 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 369 S C 1.966 176.534 174.600 -0.052 0.000 1.044 369 S CA 1.796 59.940 58.200 -0.094 0.000 1.050 369 S CB -0.441 62.704 63.200 -0.091 0.000 0.901 369 S HN 0.427 nan 8.310 nan 0.000 0.447 370 I N 1.682 122.223 120.570 -0.050 0.000 2.353 370 I HA -0.016 4.153 4.170 -0.000 0.000 0.248 370 I C 2.972 179.120 176.117 0.052 0.000 1.119 370 I CA 0.847 62.152 61.300 0.008 0.000 1.417 370 I CB -0.567 37.452 38.000 0.033 0.000 1.078 370 I HN 0.466 nan 8.210 nan 0.000 0.421 371 A N 0.762 123.589 122.820 0.012 0.000 1.978 371 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 371 A C 2.181 179.886 177.584 0.201 0.000 1.170 371 A CA 1.511 53.587 52.037 0.065 0.000 0.636 371 A CB -0.382 18.565 19.000 -0.089 0.000 0.810 371 A HN 0.346 nan 8.150 nan 0.000 0.448 372 K N -1.071 119.405 120.400 0.126 0.000 2.459 372 K HA 0.037 4.357 4.320 -0.000 0.000 0.193 372 K C 1.324 178.154 176.600 0.383 0.000 1.030 372 K CA 1.076 57.539 56.287 0.293 0.000 1.026 372 K CB 0.070 32.572 32.500 0.004 0.000 0.809 372 K HN 0.451 nan 8.250 nan 0.000 0.504 373 T N 1.187 115.859 114.554 0.197 0.000 2.980 373 T HA 0.137 4.487 4.350 -0.000 0.000 0.239 373 T C 0.762 175.502 174.700 0.068 0.000 1.011 373 T CA 0.039 62.201 62.100 0.104 0.000 1.171 373 T CB 0.116 69.008 68.868 0.039 0.000 0.873 373 T HN -0.005 nan 8.240 nan 0.000 0.431 374 L N 1.922 123.199 121.223 0.090 0.000 2.485 374 L HA 0.329 4.669 4.340 -0.000 0.000 0.275 374 L C 0.538 177.527 176.870 0.199 0.000 1.207 374 L CA 0.103 55.009 54.840 0.109 0.000 0.855 374 L CB 0.489 42.644 42.059 0.160 0.000 1.114 374 L HN 0.189 nan 8.230 nan 0.000 0.485 375 T N 1.212 115.945 114.554 0.298 0.000 2.838 375 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 375 T C -1.793 173.169 174.700 0.437 0.000 1.113 375 T CA -0.418 61.872 62.100 0.315 0.000 1.008 375 T CB 1.353 70.353 68.868 0.219 0.000 1.259 375 T HN 0.380 nan 8.240 nan 0.000 0.520 376 Y N 2.676 123.067 120.300 0.150 0.000 2.421 376 Y HA 0.574 5.124 4.550 -0.000 0.000 0.339 376 Y C -2.616 173.307 175.900 0.039 0.000 0.996 376 Y CA -2.428 55.714 58.100 0.069 0.000 1.046 376 Y CB 2.379 40.873 38.460 0.057 0.000 1.226 376 Y HN 0.317 nan 8.280 nan 0.000 0.445 377 P HA 0.124 nan 4.420 nan 0.000 0.256 377 P C -0.766 176.167 177.300 -0.612 0.000 1.689 377 P CA 0.176 62.978 63.100 -0.498 0.000 1.124 377 P CB 0.537 31.987 31.700 -0.416 0.000 1.766 378 E N 1.900 121.937 120.200 -0.272 0.000 2.266 378 E HA 0.304 4.654 4.350 -0.000 0.000 0.277 378 E C -0.459 176.124 176.600 -0.029 0.000 1.018 378 E CA -0.870 55.486 56.400 -0.073 0.000 0.840 378 E CB 1.280 31.056 29.700 0.127 0.000 1.082 378 E HN 0.132 nan 8.360 nan 0.000 0.395 379 V N 3.806 123.722 119.914 0.004 0.000 2.481 379 V HA 0.116 4.235 4.120 -0.000 0.000 0.286 379 V C 0.039 176.149 176.094 0.026 0.000 1.042 379 V CA -0.834 61.479 62.300 0.022 0.000 0.928 379 V CB 1.507 33.343 31.823 0.022 0.000 0.986 379 V HN 0.475 nan 8.190 nan 0.000 0.462 380 V N 4.805 124.735 119.914 0.026 0.000 2.458 380 V HA 0.151 4.271 4.120 -0.000 0.000 0.287 380 V C 0.623 176.657 176.094 -0.100 0.000 1.009 380 V CA 0.881 63.148 62.300 -0.055 0.000 1.091 380 V CB 0.293 32.063 31.823 -0.087 0.000 0.960 380 V HN 1.044 nan 8.190 nan 0.000 0.476 381 T N 8.232 122.707 114.554 -0.132 0.000 2.900 381 T HA 0.393 4.743 4.350 -0.000 0.000 0.295 381 T C -1.635 172.956 174.700 -0.181 0.000 1.044 381 T CA -1.015 61.001 62.100 -0.141 0.000 0.995 381 T CB 2.348 71.117 68.868 -0.165 0.000 1.072 381 T HN 0.402 nan 8.240 nan 0.000 0.473 382 P HA -0.191 nan 4.420 nan 0.000 0.217 382 P C 0.961 178.314 177.300 0.087 0.000 1.148 382 P CA 1.615 64.793 63.100 0.129 0.000 0.834 382 P CB -0.010 31.828 31.700 0.230 0.000 0.783 383 Y N 1.170 121.511 120.300 0.068 0.000 2.224 383 Y HA -0.163 4.387 4.550 -0.000 0.000 0.289 383 Y C 1.934 177.842 175.900 0.013 0.000 1.146 383 Y CA 0.994 59.117 58.100 0.038 0.000 1.182 383 Y CB -0.812 37.672 38.460 0.040 0.000 0.983 383 Y HN 0.216 nan 8.280 nan 0.000 0.524 384 N N -1.571 117.204 118.700 0.125 0.000 2.170 384 N HA 0.038 4.777 4.740 -0.000 0.000 0.222 384 N C 0.935 176.430 175.510 -0.024 0.000 1.218 384 N CA -0.048 53.036 53.050 0.057 0.000 0.889 384 N CB -0.492 38.038 38.487 0.073 0.000 1.083 384 N HN 0.137 nan 8.380 nan 0.000 0.520 385 I N 1.398 121.907 120.570 -0.102 0.000 2.151 385 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 385 I C 0.981 177.038 176.117 -0.101 0.000 1.080 385 I CA 1.683 62.873 61.300 -0.183 0.000 1.339 385 I CB -0.383 37.421 38.000 -0.326 0.000 1.039 385 I HN 0.256 nan 8.210 nan 0.000 0.409 386 D N -0.149 120.217 120.400 -0.057 0.000 2.078 386 D HA -0.218 4.421 4.640 -0.000 0.000 0.193 386 D C 2.194 178.483 176.300 -0.018 0.000 0.990 386 D CA 1.169 55.149 54.000 -0.033 0.000 0.827 386 D CB -0.390 40.402 40.800 -0.013 0.000 0.975 386 D HN 0.311 nan 8.370 nan 0.000 0.451 387 R N 0.723 121.221 120.500 -0.003 0.000 2.083 387 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 387 R C 2.623 178.926 176.300 0.005 0.000 1.137 387 R CA 0.955 57.058 56.100 0.004 0.000 0.951 387 R CB -0.494 29.816 30.300 0.016 0.000 0.851 387 R HN 0.151 nan 8.270 nan 0.000 0.434 388 L N 0.168 121.394 121.223 0.005 0.000 2.043 388 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 388 L C 2.405 179.279 176.870 0.006 0.000 1.075 388 L CA 2.027 56.874 54.840 0.012 0.000 0.752 388 L CB -0.577 41.486 42.059 0.008 0.000 0.891 388 L HN 0.370 nan 8.230 nan 0.000 0.432 389 T N -1.858 112.687 114.554 -0.016 0.000 2.867 389 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 389 T C 1.776 176.474 174.700 -0.004 0.000 1.057 389 T CA 1.076 63.167 62.100 -0.015 0.000 1.136 389 T CB -0.140 68.706 68.868 -0.037 0.000 0.874 389 T HN 0.180 nan 8.240 nan 0.000 0.466 390 Q N 0.980 120.777 119.800 -0.005 0.000 2.119 390 Q HA 0.076 4.416 4.340 -0.000 0.000 0.201 390 Q C 2.060 178.063 176.000 0.005 0.000 0.972 390 Q CA 1.299 57.100 55.803 -0.003 0.000 0.847 390 Q CB -0.644 28.091 28.738 -0.006 0.000 0.903 390 Q HN 0.528 nan 8.270 nan 0.000 0.433 391 L N -0.992 120.238 121.223 0.012 0.000 2.056 391 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 391 L C 2.243 179.134 176.870 0.034 0.000 1.078 391 L CA 0.895 55.751 54.840 0.027 0.000 0.749 391 L CB -0.592 41.490 42.059 0.039 0.000 0.901 391 L HN 0.078 nan 8.230 nan 0.000 0.433 392 V N -0.001 119.930 119.914 0.029 0.000 2.343 392 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 392 V C 2.644 178.750 176.094 0.020 0.000 1.051 392 V CA 2.061 64.379 62.300 0.030 0.000 1.036 392 V CB -0.764 31.082 31.823 0.039 0.000 0.654 392 V HN 0.461 nan 8.190 nan 0.000 0.451 393 R N 0.315 120.823 120.500 0.014 0.000 2.092 393 R HA -0.138 4.201 4.340 -0.000 0.000 0.231 393 R C 2.274 178.577 176.300 0.006 0.000 1.119 393 R CA 1.539 57.643 56.100 0.006 0.000 0.970 393 R CB -0.388 29.913 30.300 0.001 0.000 0.864 393 R HN 0.531 nan 8.270 nan 0.000 0.440 394 N N 0.104 118.810 118.700 0.011 0.000 2.205 394 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 394 N C 0.524 176.047 175.510 0.021 0.000 1.015 394 N CA 1.450 54.507 53.050 0.011 0.000 0.862 394 N CB 0.035 38.529 38.487 0.011 0.000 0.986 394 N HN 0.454 nan 8.380 nan 0.000 0.429 395 G N -0.043 108.776 108.800 0.032 0.000 2.707 395 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 395 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 395 G C -2.362 172.598 174.900 0.101 0.000 1.315 395 G CA -0.257 44.863 45.100 0.033 0.000 0.832 395 G HN 0.088 nan 8.290 nan 0.000 0.573 396 P HA 0.110 nan 4.420 nan 0.000 0.257 396 P C 0.671 178.099 177.300 0.214 0.000 1.281 396 P CA 0.502 63.725 63.100 0.205 0.000 0.826 396 P CB 0.214 31.943 31.700 0.049 0.000 1.237 397 N N -0.421 118.337 118.700 0.096 0.000 2.516 397 N HA 0.046 4.786 4.740 -0.000 0.000 0.197 397 N C 0.684 176.191 175.510 -0.005 0.000 1.064 397 N CA 0.304 53.372 53.050 0.031 0.000 0.866 397 N CB -0.038 38.446 38.487 -0.005 0.000 1.255 397 N HN 0.199 nan 8.380 nan 0.000 0.447 398 E N 0.145 120.345 120.200 -0.001 0.000 2.392 398 E HA -0.033 4.317 4.350 -0.000 0.000 0.256 398 E C 0.389 176.961 176.600 -0.046 0.000 1.145 398 E CA -0.144 56.246 56.400 -0.017 0.000 0.929 398 E CB 0.892 30.585 29.700 -0.012 0.000 0.998 398 E HN 0.275 nan 8.360 nan 0.000 0.442 399 H N 2.280 121.262 119.070 -0.147 0.000 2.648 399 H HA -0.004 4.552 4.556 -0.000 0.000 0.306 399 H C -1.638 173.561 175.328 -0.216 0.000 1.027 399 H CA 0.499 56.406 56.048 -0.236 0.000 1.201 399 H CB -1.267 28.400 29.762 -0.159 0.000 1.496 399 H HN 0.265 nan 8.280 nan 0.000 0.669 400 P HA 0.088 nan 4.420 nan 0.000 0.237 400 P C -0.411 176.803 177.300 -0.144 0.000 1.149 400 P CA 1.114 63.869 63.100 -0.576 0.000 1.254 400 P CB -0.270 31.217 31.700 -0.355 0.000 1.382 401 G N 1.221 110.097 108.800 0.126 0.000 3.195 401 G HA2 0.841 4.801 3.960 -0.000 0.000 0.217 401 G HA3 0.841 4.801 3.960 -0.000 0.000 0.217 401 G C -1.590 173.502 174.900 0.321 0.000 1.166 401 G CA -0.316 44.957 45.100 0.290 0.000 0.812 401 G HN 0.459 nan 8.290 nan 0.000 0.617 402 A N -1.441 121.446 122.820 0.112 0.000 2.604 402 A HA 0.708 5.028 4.320 -0.000 0.000 0.295 402 A C -0.075 177.440 177.584 -0.116 0.000 1.067 402 A CA -0.309 51.669 52.037 -0.099 0.000 0.683 402 A CB 1.492 20.496 19.000 0.007 0.000 1.281 402 A HN 0.504 nan 8.150 nan 0.000 0.407 403 K N -0.483 119.854 120.400 -0.105 0.000 2.287 403 K HA 0.262 4.582 4.320 -0.000 0.000 0.199 403 K C -0.811 175.746 176.600 -0.071 0.000 1.061 403 K CA 1.018 57.294 56.287 -0.019 0.000 0.976 403 K CB 0.277 32.868 32.500 0.152 0.000 0.898 403 K HN 0.610 nan 8.250 nan 0.000 0.492 404 Y N -0.444 119.841 120.300 -0.025 0.000 2.553 404 Y HA 0.414 4.963 4.550 -0.000 0.000 0.347 404 Y C -0.741 175.153 175.900 -0.009 0.000 1.019 404 Y CA -1.255 56.839 58.100 -0.009 0.000 1.032 404 Y CB 2.022 40.477 38.460 -0.008 0.000 1.284 404 Y HN -0.402 nan 8.280 nan 0.000 0.466 405 V N 4.564 124.554 119.914 0.128 0.000 2.483 405 V HA 0.473 4.592 4.120 -0.000 0.000 0.297 405 V C -0.636 175.442 176.094 -0.027 0.000 1.027 405 V CA -0.777 61.566 62.300 0.072 0.000 0.855 405 V CB 1.524 33.402 31.823 0.091 0.000 0.995 405 V HN 0.537 nan 8.190 nan 0.000 0.424 406 I N 5.157 125.680 120.570 -0.078 0.000 2.355 406 I HA 0.537 4.707 4.170 -0.000 0.000 0.288 406 I C 0.331 176.174 176.117 -0.457 0.000 0.999 406 I CA -0.663 60.517 61.300 -0.202 0.000 1.163 406 I CB 1.491 39.424 38.000 -0.113 0.000 1.316 406 I HN 0.502 nan 8.210 nan 0.000 0.454 407 R N 2.806 122.840 120.500 -0.776 0.000 2.637 407 R HA 0.125 4.465 4.340 -0.000 0.000 0.269 407 R C 0.903 176.854 176.300 -0.583 0.000 1.089 407 R CA -0.412 54.886 56.100 -1.337 0.000 1.177 407 R CB 0.566 30.130 30.300 -1.227 0.000 1.091 407 R HN 0.668 nan 8.270 nan 0.000 0.540 408 D N -0.155 120.037 120.400 -0.348 0.000 2.104 408 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 408 D C 0.355 176.607 176.300 -0.080 0.000 0.994 408 D CA 1.341 55.312 54.000 -0.048 0.000 0.830 408 D CB -0.394 40.480 40.800 0.124 0.000 0.959 408 D HN 0.403 nan 8.370 nan 0.000 0.452 409 S N 0.241 115.885 115.700 -0.094 0.000 4.117 409 S HA 0.344 4.814 4.470 -0.000 0.000 0.191 409 S C 1.182 175.718 174.600 -0.106 0.000 1.308 409 S CA -0.349 57.806 58.200 -0.075 0.000 0.906 409 S CB -0.917 62.253 63.200 -0.049 0.000 1.565 409 S HN 0.507 nan 8.310 nan 0.000 0.439 410 G N 1.738 110.479 108.800 -0.098 0.000 2.465 410 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.310 410 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.310 410 G C -0.346 174.499 174.900 -0.091 0.000 0.299 410 G CA 0.419 45.464 45.100 -0.092 0.000 1.113 410 G HN 0.772 nan 8.290 nan 0.000 0.469 411 D N 0.290 120.614 120.400 -0.127 0.000 2.977 411 D HA 0.366 5.006 4.640 -0.000 0.000 0.220 411 D C 0.007 176.247 176.300 -0.100 0.000 1.267 411 D CA -0.700 53.241 54.000 -0.100 0.000 0.884 411 D CB 1.137 41.874 40.800 -0.105 0.000 1.667 411 D HN 0.289 nan 8.370 nan 0.000 0.536 412 R N 3.047 123.530 120.500 -0.028 0.000 2.265 412 R HA 0.528 4.868 4.340 -0.000 0.000 0.314 412 R C -0.248 176.088 176.300 0.059 0.000 1.053 412 R CA -0.391 55.744 56.100 0.059 0.000 0.931 412 R CB 0.788 31.182 30.300 0.157 0.000 1.024 412 R HN 0.435 nan 8.270 nan 0.000 0.457 413 I N 2.650 123.238 120.570 0.031 0.000 2.304 413 I HA 0.067 4.237 4.170 -0.000 0.000 0.291 413 I C -0.086 175.970 176.117 -0.102 0.000 1.018 413 I CA -0.381 60.902 61.300 -0.028 0.000 1.260 413 I CB 1.328 39.298 38.000 -0.050 0.000 1.390 413 I HN 0.420 nan 8.210 nan 0.000 0.475 414 D N 7.519 127.828 120.400 -0.153 0.000 2.422 414 D HA 0.145 4.785 4.640 -0.000 0.000 0.227 414 D C 1.155 177.329 176.300 -0.210 0.000 1.190 414 D CA -0.137 53.640 54.000 -0.372 0.000 0.905 414 D CB 0.928 41.625 40.800 -0.172 0.000 1.034 414 D HN 0.484 nan 8.370 nan 0.000 0.507 415 L N 3.277 124.334 121.223 -0.276 0.000 2.556 415 L HA -0.181 4.158 4.340 -0.000 0.000 0.230 415 L C 2.067 178.852 176.870 -0.141 0.000 1.163 415 L CA 0.913 55.662 54.840 -0.150 0.000 0.819 415 L CB -0.298 41.687 42.059 -0.124 0.000 0.939 415 L HN 0.362 nan 8.230 nan 0.000 0.452 416 R N -2.415 117.984 120.500 -0.169 0.000 2.334 416 R HA 0.042 4.382 4.340 -0.000 0.000 0.216 416 R C 0.791 176.760 176.300 -0.551 0.000 0.905 416 R CA 0.310 56.214 56.100 -0.327 0.000 1.064 416 R CB 0.082 30.145 30.300 -0.396 0.000 1.046 416 R HN 0.262 nan 8.270 nan 0.000 0.508 417 Y N 0.127 120.374 120.300 -0.090 0.000 2.731 417 Y HA 0.206 4.756 4.550 -0.000 0.000 0.269 417 Y C 0.872 176.742 175.900 -0.051 0.000 1.156 417 Y CA -0.441 57.623 58.100 -0.060 0.000 1.191 417 Y CB 0.083 38.510 38.460 -0.055 0.000 1.382 417 Y HN -0.062 nan 8.280 nan 0.000 0.477 418 S N 2.873 118.640 115.700 0.112 0.000 2.953 418 S HA -0.150 4.320 4.470 -0.000 0.000 0.348 418 S C 1.227 175.846 174.600 0.031 0.000 1.215 418 S CA 0.284 58.512 58.200 0.048 0.000 1.019 418 S CB 0.243 63.451 63.200 0.013 0.000 0.726 418 S HN 0.530 nan 8.310 nan 0.000 0.503 419 K N 4.225 124.643 120.400 0.030 0.000 2.574 419 K HA 0.009 4.329 4.320 -0.000 0.000 0.193 419 K C 1.046 177.656 176.600 0.016 0.000 1.035 419 K CA 0.976 57.276 56.287 0.021 0.000 0.982 419 K CB -0.013 32.499 32.500 0.020 0.000 0.795 419 K HN 0.599 nan 8.250 nan 0.000 0.491 420 R N -0.259 120.252 120.500 0.018 0.000 2.596 420 R HA 0.264 4.604 4.340 -0.000 0.000 0.369 420 R C 1.368 177.679 176.300 0.019 0.000 1.042 420 R CA 0.296 56.409 56.100 0.021 0.000 1.120 420 R CB 0.727 31.048 30.300 0.034 0.000 1.353 420 R HN 0.215 nan 8.270 nan 0.000 0.564 421 A N 0.999 123.822 122.820 0.005 0.000 1.884 421 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 421 A C 2.174 179.759 177.584 0.002 0.000 1.197 421 A CA 2.183 54.217 52.037 -0.004 0.000 0.637 421 A CB -0.984 18.000 19.000 -0.027 0.000 0.827 421 A HN 0.440 nan 8.150 nan 0.000 0.450 422 G N -0.977 107.822 108.800 -0.001 0.000 2.443 422 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 422 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 422 G C 1.108 176.012 174.900 0.007 0.000 1.131 422 G CA 1.086 46.186 45.100 0.000 0.000 0.775 422 G HN 0.572 nan 8.290 nan 0.000 0.547 423 D N 0.199 120.607 120.400 0.014 0.000 2.006 423 D HA 0.076 4.716 4.640 -0.000 0.000 0.304 423 D C 0.976 177.294 176.300 0.030 0.000 1.101 423 D CA -0.197 53.815 54.000 0.020 0.000 0.903 423 D CB -0.044 40.771 40.800 0.025 0.000 1.058 423 D HN 0.126 nan 8.370 nan 0.000 0.361 424 I N 0.209 120.810 120.570 0.051 0.000 8.654 424 I HA -0.256 3.914 4.170 -0.000 0.000 0.126 424 I C -0.683 175.458 176.117 0.040 0.000 1.837 424 I CA 0.070 61.420 61.300 0.084 0.000 2.076 424 I CB -0.564 37.503 38.000 0.111 0.000 3.830 424 I HN 0.388 nan 8.210 nan 0.000 0.181 425 Q N 7.083 126.885 119.800 0.003 0.000 2.325 425 Q HA 0.661 5.000 4.340 -0.000 0.000 0.270 425 Q C -0.364 175.505 176.000 -0.217 0.000 1.020 425 Q CA -0.944 54.809 55.803 -0.084 0.000 0.785 425 Q CB 2.263 30.948 28.738 -0.090 0.000 1.259 425 Q HN 0.629 nan 8.270 nan 0.000 0.452 426 L N 1.247 122.332 121.223 -0.230 0.000 2.435 426 L HA 0.095 4.435 4.340 -0.000 0.000 0.258 426 L C 0.553 176.964 176.870 -0.764 0.000 1.257 426 L CA 0.254 54.849 54.840 -0.407 0.000 0.823 426 L CB 0.133 42.065 42.059 -0.211 0.000 1.111 426 L HN 0.573 nan 8.230 nan 0.000 0.543 427 Q N -0.095 119.096 119.800 -1.016 0.000 2.263 427 Q HA 0.274 4.614 4.340 -0.000 0.000 0.262 427 Q C -1.501 174.201 176.000 -0.496 0.000 0.984 427 Q CA -0.698 54.553 55.803 -0.921 0.000 0.813 427 Q CB 1.956 29.730 28.738 -1.607 0.000 1.299 427 Q HN 0.294 nan 8.270 nan 0.000 0.428 428 Y N 0.694 120.826 120.300 -0.279 0.000 2.969 428 Y HA 0.021 4.571 4.550 -0.000 0.000 0.339 428 Y C 1.675 177.528 175.900 -0.079 0.000 1.272 428 Y CA 2.503 60.512 58.100 -0.150 0.000 1.577 428 Y CB 0.091 38.472 38.460 -0.131 0.000 1.234 428 Y HN 1.015 nan 8.280 nan 0.000 0.590 429 G N 0.526 109.397 108.800 0.119 0.000 2.399 429 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 429 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 429 G C 0.204 175.263 174.900 0.264 0.000 1.096 429 G CA -0.306 44.892 45.100 0.163 0.000 0.650 429 G HN 0.520 nan 8.290 nan 0.000 0.512 430 W N 1.800 123.096 121.300 -0.008 0.000 1.918 430 W HA 0.593 5.253 4.660 -0.000 0.000 0.355 430 W C 1.013 177.515 176.519 -0.028 0.000 1.368 430 W CA 0.141 57.476 57.345 -0.017 0.000 1.412 430 W CB 0.150 29.599 29.460 -0.020 0.000 1.309 430 W HN 0.132 nan 8.180 nan 0.000 0.667 431 K N 0.517 121.027 120.400 0.183 0.000 2.378 431 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 431 K C -1.533 175.115 176.600 0.079 0.000 0.931 431 K CA -1.034 55.298 56.287 0.075 0.000 0.794 431 K CB 2.480 34.975 32.500 -0.008 0.000 1.181 431 K HN 0.018 nan 8.250 nan 0.000 0.425 432 V N 2.622 122.575 119.914 0.064 0.000 2.357 432 V HA 0.153 4.273 4.120 -0.000 0.000 0.284 432 V C -0.195 175.929 176.094 0.050 0.000 1.018 432 V CA -0.764 61.580 62.300 0.074 0.000 0.841 432 V CB 1.351 33.221 31.823 0.078 0.000 0.991 432 V HN 0.677 nan 8.190 nan 0.000 0.437 433 E N 5.504 125.745 120.200 0.067 0.000 2.003 433 E HA 0.257 4.606 4.350 -0.000 0.000 0.279 433 E C 0.085 176.727 176.600 0.069 0.000 1.132 433 E CA -0.297 56.144 56.400 0.068 0.000 0.888 433 E CB 0.766 30.527 29.700 0.102 0.000 1.056 433 E HN 0.668 nan 8.360 nan 0.000 0.399 434 R N 2.236 122.790 120.500 0.090 0.000 2.691 434 R HA 0.378 4.718 4.340 -0.000 0.000 0.259 434 R C 0.143 176.488 176.300 0.076 0.000 1.048 434 R CA -0.787 55.353 56.100 0.066 0.000 1.086 434 R CB 0.852 31.224 30.300 0.119 0.000 1.166 434 R HN 0.388 nan 8.270 nan 0.000 0.526 435 H N 0.534 119.680 119.070 0.126 0.000 2.757 435 H HA 0.078 4.634 4.556 -0.000 0.000 0.370 435 H C 0.569 175.991 175.328 0.157 0.000 1.172 435 H CA -0.053 56.085 56.048 0.150 0.000 1.426 435 H CB 0.664 30.513 29.762 0.145 0.000 1.438 435 H HN 0.310 nan 8.280 nan 0.000 0.612 436 I N 2.789 123.548 120.570 0.316 0.000 2.710 436 I HA -0.079 4.091 4.170 -0.000 0.000 0.286 436 I C 0.813 177.056 176.117 0.211 0.000 1.181 436 I CA 0.959 62.385 61.300 0.210 0.000 1.430 436 I CB -0.194 37.913 38.000 0.179 0.000 1.367 436 I HN 0.399 nan 8.210 nan 0.000 0.577 437 M N 3.479 123.150 119.600 0.118 0.000 2.593 437 M HA 0.288 4.768 4.480 -0.000 0.000 0.290 437 M C -0.631 175.706 176.300 0.061 0.000 1.244 437 M CA -1.085 54.283 55.300 0.113 0.000 0.857 437 M CB 1.702 34.335 32.600 0.056 0.000 1.738 437 M HN 0.295 nan 8.290 nan 0.000 0.461 438 D N 2.430 122.872 120.400 0.070 0.000 2.793 438 D HA -0.031 4.609 4.640 -0.000 0.000 0.230 438 D C -0.112 176.192 176.300 0.006 0.000 1.139 438 D CA 1.700 55.720 54.000 0.033 0.000 0.838 438 D CB -0.075 40.745 40.800 0.033 0.000 1.149 438 D HN 0.641 nan 8.370 nan 0.000 0.526 439 N N 0.823 119.519 118.700 -0.006 0.000 2.952 439 N HA -0.159 4.581 4.740 -0.000 0.000 0.245 439 N C -1.196 174.291 175.510 -0.038 0.000 1.029 439 N CA 0.465 53.504 53.050 -0.019 0.000 0.870 439 N CB -0.800 37.678 38.487 -0.015 0.000 1.121 439 N HN 0.453 nan 8.380 nan 0.000 0.559 440 D N 1.118 121.490 120.400 -0.047 0.000 2.351 440 D HA 0.178 4.818 4.640 -0.000 0.000 0.251 440 D C -2.091 174.169 176.300 -0.066 0.000 1.137 440 D CA -0.825 53.120 54.000 -0.092 0.000 0.879 440 D CB 0.855 41.598 40.800 -0.094 0.000 1.181 440 D HN 0.142 nan 8.370 nan 0.000 0.448 441 P HA 0.100 nan 4.420 nan 0.000 0.280 441 P C -0.628 176.664 177.300 -0.013 0.000 1.244 441 P CA -0.415 62.668 63.100 -0.029 0.000 0.784 441 P CB 1.209 32.893 31.700 -0.027 0.000 0.913 442 V N 1.161 121.087 119.914 0.020 0.000 3.087 442 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 442 V C -0.599 175.555 176.094 0.099 0.000 1.187 442 V CA -1.258 61.066 62.300 0.041 0.000 0.999 442 V CB 2.088 33.910 31.823 -0.002 0.000 1.049 442 V HN 0.355 nan 8.190 nan 0.000 0.431 443 L N 3.479 124.785 121.223 0.138 0.000 2.360 443 L HA 0.480 4.820 4.340 -0.000 0.000 0.276 443 L C -1.062 175.953 176.870 0.242 0.000 1.121 443 L CA -0.117 54.845 54.840 0.204 0.000 0.845 443 L CB 0.977 43.161 42.059 0.208 0.000 1.143 443 L HN 0.796 nan 8.230 nan 0.000 0.452 444 F N 6.198 126.171 119.950 0.037 0.000 2.493 444 F HA 0.448 4.975 4.527 -0.000 0.000 0.329 444 F C -0.232 175.550 175.800 -0.030 0.000 1.126 444 F CA -0.981 56.917 58.000 -0.171 0.000 0.937 444 F CB 1.245 39.958 39.000 -0.478 0.000 1.146 444 F HN 0.497 nan 8.300 nan 0.000 0.442 445 N N 4.919 123.390 118.700 -0.381 0.000 2.357 445 N HA 0.453 5.193 4.740 -0.000 0.000 0.284 445 N C -1.978 173.296 175.510 -0.393 0.000 1.236 445 N CA -0.741 52.176 53.050 -0.222 0.000 0.774 445 N CB 2.692 41.205 38.487 0.043 0.000 1.534 445 N HN 0.815 nan 8.380 nan 0.000 0.478 446 R N 1.537 121.946 120.500 -0.151 0.000 2.476 446 R HA 0.299 4.639 4.340 -0.000 0.000 0.305 446 R C -0.928 175.358 176.300 -0.023 0.000 0.965 446 R CA -0.402 55.619 56.100 -0.132 0.000 0.867 446 R CB 1.246 31.489 30.300 -0.095 0.000 1.176 446 R HN 0.590 nan 8.270 nan 0.000 0.447 447 Q N 4.054 123.832 119.800 -0.037 0.000 2.306 447 Q HA 0.318 4.657 4.340 -0.000 0.000 0.241 447 Q C -1.970 174.016 176.000 -0.024 0.000 0.948 447 Q CA -1.673 54.118 55.803 -0.019 0.000 0.886 447 Q CB 0.973 29.704 28.738 -0.013 0.000 1.227 447 Q HN 0.484 nan 8.270 nan 0.000 0.457 448 P HA 0.050 nan 4.420 nan 0.000 0.276 448 P C -1.137 176.135 177.300 -0.046 0.000 1.230 448 P CA -0.321 62.759 63.100 -0.033 0.000 0.776 448 P CB 0.945 32.622 31.700 -0.038 0.000 0.888 449 S N 3.454 119.134 115.700 -0.033 0.000 2.701 449 S HA 0.154 4.624 4.470 -0.000 0.000 0.317 449 S C 1.480 176.032 174.600 -0.080 0.000 1.149 449 S CA -0.580 57.600 58.200 -0.033 0.000 1.052 449 S CB -0.273 62.927 63.200 -0.000 0.000 1.257 449 S HN 0.383 nan 8.310 nan 0.000 0.532 450 L N 1.728 122.845 121.223 -0.177 0.000 2.249 450 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 450 L C 0.795 177.540 176.870 -0.209 0.000 1.090 450 L CA 0.659 55.350 54.840 -0.247 0.000 0.802 450 L CB -0.359 41.482 42.059 -0.363 0.000 0.947 450 L HN 0.702 nan 8.230 nan 0.000 0.453 451 H N -4.258 114.763 119.070 -0.082 0.000 2.960 451 H HA 0.407 4.963 4.556 -0.000 0.000 0.338 451 H C 0.280 175.548 175.328 -0.100 0.000 1.261 451 H CA -1.708 54.277 56.048 -0.105 0.000 1.136 451 H CB 0.421 30.105 29.762 -0.130 0.000 1.875 451 H HN -0.309 nan 8.280 nan 0.000 0.550 452 K N -0.383 120.045 120.400 0.046 0.000 2.030 452 K HA -0.239 4.081 4.320 -0.000 0.000 0.222 452 K C 1.407 177.983 176.600 -0.040 0.000 1.056 452 K CA 2.802 59.066 56.287 -0.039 0.000 0.957 452 K CB -0.441 31.991 32.500 -0.113 0.000 0.727 452 K HN 0.454 nan 8.250 nan 0.000 0.452 453 M N 0.880 120.390 119.600 -0.150 0.000 2.703 453 M HA -0.103 4.377 4.480 -0.000 0.000 0.253 453 M C 1.563 177.765 176.300 -0.164 0.000 1.060 453 M CA 1.125 56.289 55.300 -0.228 0.000 1.059 453 M CB -0.134 32.200 32.600 -0.443 0.000 1.399 453 M HN -0.048 nan 8.290 nan 0.000 0.526 454 S N -0.551 115.193 115.700 0.073 0.000 2.558 454 S HA 0.285 4.755 4.470 -0.000 0.000 0.217 454 S C 0.668 175.411 174.600 0.238 0.000 0.975 454 S CA 0.432 58.705 58.200 0.121 0.000 0.912 454 S CB 0.040 63.304 63.200 0.107 0.000 0.776 454 S HN 0.458 nan 8.310 nan 0.000 0.526 455 M N 1.677 121.370 119.600 0.156 0.000 1.956 455 M HA 0.390 4.870 4.480 -0.000 0.000 0.256 455 M C -1.250 175.150 176.300 0.167 0.000 0.869 455 M CA 0.196 55.617 55.300 0.202 0.000 0.886 455 M CB 1.200 33.868 32.600 0.114 0.000 1.739 455 M HN 0.084 nan 8.290 nan 0.000 0.381 456 M N 1.160 120.925 119.600 0.275 0.000 2.762 456 M HA 0.815 5.294 4.480 -0.000 0.000 0.306 456 M C 0.078 176.536 176.300 0.263 0.000 1.223 456 M CA -0.746 54.647 55.300 0.155 0.000 0.896 456 M CB 2.062 34.665 32.600 0.005 0.000 1.684 456 M HN 0.562 nan 8.290 nan 0.000 0.491 457 A N 0.721 123.607 122.820 0.111 0.000 2.276 457 A HA 0.586 4.906 4.320 -0.000 0.000 0.316 457 A C -0.994 176.642 177.584 0.086 0.000 1.229 457 A CA -0.531 51.593 52.037 0.146 0.000 0.851 457 A CB 0.109 19.143 19.000 0.057 0.000 1.165 457 A HN 0.880 nan 8.150 nan 0.000 0.513 458 H N 1.187 120.264 119.070 0.012 0.000 2.737 458 H HA 0.447 5.002 4.556 -0.000 0.000 0.358 458 H C -0.464 174.826 175.328 -0.065 0.000 1.187 458 H CA -0.960 55.067 56.048 -0.035 0.000 1.221 458 H CB 1.578 31.287 29.762 -0.088 0.000 1.799 458 H HN 0.658 nan 8.280 nan 0.000 0.568 459 R N 0.726 121.271 120.500 0.075 0.000 2.349 459 R HA 0.280 4.620 4.340 -0.000 0.000 0.299 459 R C -0.494 175.794 176.300 -0.020 0.000 1.027 459 R CA -0.566 55.541 56.100 0.010 0.000 0.958 459 R CB 1.244 31.545 30.300 0.001 0.000 1.047 459 R HN 0.234 nan 8.270 nan 0.000 0.468 460 V N 3.372 123.266 119.914 -0.034 0.000 2.775 460 V HA 0.134 4.254 4.120 -0.000 0.000 0.299 460 V C 0.248 176.325 176.094 -0.028 0.000 1.062 460 V CA 0.223 62.493 62.300 -0.049 0.000 1.063 460 V CB 1.281 33.086 31.823 -0.030 0.000 0.994 460 V HN 0.521 nan 8.190 nan 0.000 0.483 461 K N 3.700 124.079 120.400 -0.035 0.000 2.764 461 K HA 0.318 4.638 4.320 -0.000 0.000 0.239 461 K C -1.218 175.369 176.600 -0.022 0.000 1.048 461 K CA -0.427 55.849 56.287 -0.017 0.000 1.057 461 K CB 1.380 33.868 32.500 -0.019 0.000 1.251 461 K HN 0.404 nan 8.250 nan 0.000 0.524 462 V N 6.099 126.005 119.914 -0.013 0.000 2.585 462 V HA 0.255 4.375 4.120 -0.000 0.000 0.296 462 V C 0.937 176.989 176.094 -0.070 0.000 1.035 462 V CA 0.006 62.269 62.300 -0.063 0.000 1.084 462 V CB -0.118 31.636 31.823 -0.115 0.000 0.953 462 V HN 0.602 nan 8.190 nan 0.000 0.483 463 I N 3.390 123.911 120.570 -0.081 0.000 3.279 463 I HA 0.778 4.947 4.170 -0.000 0.000 0.315 463 I C -2.765 173.291 176.117 -0.101 0.000 1.187 463 I CA -2.599 58.666 61.300 -0.059 0.000 0.953 463 I CB 2.424 40.423 38.000 -0.002 0.000 1.279 463 I HN 0.352 nan 8.210 nan 0.000 0.465 464 P HA 0.363 nan 4.420 nan 0.000 0.282 464 P C -1.342 175.833 177.300 -0.208 0.000 1.287 464 P CA 0.034 62.950 63.100 -0.306 0.000 0.792 464 P CB 0.468 31.852 31.700 -0.527 0.000 1.163 465 Y N -3.091 117.161 120.300 -0.080 0.000 2.505 465 Y HA -0.213 4.337 4.550 -0.000 0.000 0.021 465 Y C 1.224 177.058 175.900 -0.110 0.000 1.700 465 Y CA 0.462 58.512 58.100 -0.085 0.000 1.420 465 Y CB -2.126 36.288 38.460 -0.076 0.000 2.065 465 Y HN 0.257 nan 8.280 nan 0.000 0.254 466 S N -0.368 115.358 115.700 0.044 0.000 2.622 466 S HA 0.227 4.697 4.470 -0.000 0.000 0.236 466 S C 0.043 174.551 174.600 -0.155 0.000 0.956 466 S CA 0.294 58.446 58.200 -0.079 0.000 0.971 466 S CB -0.338 62.814 63.200 -0.080 0.000 0.782 466 S HN 0.671 nan 8.310 nan 0.000 0.468 467 T N -0.776 113.708 114.554 -0.117 0.000 2.863 467 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 467 T C -0.348 174.284 174.700 -0.112 0.000 1.009 467 T CA -0.769 61.232 62.100 -0.166 0.000 0.989 467 T CB 0.641 69.449 68.868 -0.100 0.000 1.004 467 T HN 0.124 nan 8.240 nan 0.000 0.455 468 F N 2.312 122.241 119.950 -0.036 0.000 2.541 468 F HA 0.273 4.800 4.527 -0.000 0.000 0.378 468 F C 1.567 177.311 175.800 -0.093 0.000 1.068 468 F CA -0.689 57.267 58.000 -0.073 0.000 1.199 468 F CB 0.642 39.668 39.000 0.045 0.000 1.091 468 F HN 0.257 nan 8.300 nan 0.000 0.555 469 R N 5.973 126.506 120.500 0.054 0.000 2.338 469 R HA 0.610 4.949 4.340 -0.000 0.000 0.317 469 R C -0.767 175.507 176.300 -0.045 0.000 0.968 469 R CA -0.808 55.272 56.100 -0.033 0.000 0.849 469 R CB 1.443 31.715 30.300 -0.046 0.000 1.128 469 R HN 0.635 nan 8.270 nan 0.000 0.448 470 L N -0.601 120.627 121.223 0.008 0.000 2.309 470 L HA 0.605 4.945 4.340 -0.000 0.000 0.261 470 L C -0.168 176.777 176.870 0.125 0.000 1.021 470 L CA -1.351 53.538 54.840 0.082 0.000 0.823 470 L CB 1.396 43.589 42.059 0.224 0.000 1.366 470 L HN 0.339 nan 8.230 nan 0.000 0.423 471 N N 0.493 119.287 118.700 0.156 0.000 2.518 471 N HA 0.184 4.924 4.740 -0.000 0.000 0.266 471 N C 0.653 176.277 175.510 0.190 0.000 1.196 471 N CA 0.008 53.142 53.050 0.141 0.000 0.947 471 N CB 1.438 39.985 38.487 0.100 0.000 1.098 471 N HN 0.808 nan 8.380 nan 0.000 0.450 472 L N 2.053 123.390 121.223 0.189 0.000 2.131 472 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 472 L C 2.261 179.232 176.870 0.167 0.000 1.092 472 L CA 0.973 55.945 54.840 0.220 0.000 0.759 472 L CB -0.265 41.911 42.059 0.195 0.000 0.903 472 L HN 0.521 nan 8.230 nan 0.000 0.435 473 S N -1.202 114.578 115.700 0.133 0.000 2.423 473 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 473 S C 1.599 176.205 174.600 0.010 0.000 1.014 473 S CA 0.766 59.023 58.200 0.095 0.000 0.965 473 S CB 0.003 63.284 63.200 0.134 0.000 0.785 473 S HN 0.250 nan 8.310 nan 0.000 0.495 474 V N 1.561 121.499 119.914 0.040 0.000 3.620 474 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 474 V C 1.851 178.074 176.094 0.215 0.000 1.288 474 V CA 0.836 63.173 62.300 0.063 0.000 1.178 474 V CB -0.610 31.313 31.823 0.166 0.000 0.986 474 V HN 0.448 nan 8.190 nan 0.000 0.431 475 T N -0.574 114.095 114.554 0.191 0.000 2.770 475 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 475 T C 2.124 176.901 174.700 0.127 0.000 1.039 475 T CA 2.067 64.294 62.100 0.212 0.000 1.142 475 T CB 0.004 68.946 68.868 0.124 0.000 0.868 475 T HN 0.618 nan 8.240 nan 0.000 0.435 476 S N 1.681 117.411 115.700 0.049 0.000 2.359 476 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 476 S C -0.443 174.149 174.600 -0.013 0.000 1.039 476 S CA 1.649 59.856 58.200 0.012 0.000 1.042 476 S CB -1.248 61.952 63.200 -0.000 0.000 0.915 476 S HN 0.445 nan 8.310 nan 0.000 0.439 477 P HA -0.149 nan 4.420 nan 0.000 0.216 477 P C 0.763 177.974 177.300 -0.149 0.000 1.154 477 P CA 1.385 64.364 63.100 -0.201 0.000 0.865 477 P CB -0.120 31.324 31.700 -0.426 0.000 0.789 478 Y N -2.490 117.841 120.300 0.051 0.000 2.337 478 Y HA 0.027 4.577 4.550 -0.000 0.000 0.293 478 Y C 1.246 177.137 175.900 -0.016 0.000 1.123 478 Y CA 0.770 58.878 58.100 0.013 0.000 1.201 478 Y CB -0.559 37.887 38.460 -0.023 0.000 1.011 478 Y HN -0.024 nan 8.280 nan 0.000 0.545 479 N N -1.036 117.737 118.700 0.122 0.000 2.990 479 N HA -0.141 4.599 4.740 -0.000 0.000 0.247 479 N C -0.674 174.851 175.510 0.026 0.000 1.096 479 N CA -0.089 52.985 53.050 0.041 0.000 0.797 479 N CB -1.056 37.433 38.487 0.004 0.000 1.114 479 N HN 0.260 nan 8.380 nan 0.000 0.549 480 A N 0.844 123.700 122.820 0.059 0.000 2.310 480 A HA 0.583 4.903 4.320 -0.000 0.000 0.299 480 A C -0.164 177.325 177.584 -0.158 0.000 1.147 480 A CA 0.021 52.058 52.037 -0.000 0.000 0.818 480 A CB 0.691 19.732 19.000 0.069 0.000 1.096 480 A HN 0.462 nan 8.150 nan 0.000 0.495 481 D N -0.765 119.496 120.400 -0.232 0.000 2.531 481 D HA 0.526 5.165 4.640 -0.000 0.000 0.244 481 D C -0.656 175.416 176.300 -0.381 0.000 1.090 481 D CA -0.576 53.126 54.000 -0.496 0.000 0.989 481 D CB 0.775 41.417 40.800 -0.263 0.000 1.433 481 D HN 0.313 nan 8.370 nan 0.000 0.492 482 F N -0.224 119.738 119.950 0.020 0.000 2.668 482 F HA 0.145 4.672 4.527 -0.000 0.000 0.297 482 F C 1.065 176.867 175.800 0.004 0.000 1.124 482 F CA -0.773 57.235 58.000 0.014 0.000 1.353 482 F CB 0.186 39.196 39.000 0.017 0.000 0.992 482 F HN 0.296 nan 8.300 nan 0.000 0.524 483 D N 0.162 120.609 120.400 0.078 0.000 2.358 483 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 483 D C 1.610 177.941 176.300 0.052 0.000 1.094 483 D CA 0.821 54.850 54.000 0.049 0.000 0.907 483 D CB -0.015 40.788 40.800 0.005 0.000 0.893 483 D HN 0.422 nan 8.370 nan 0.000 0.528 484 G N -0.309 108.540 108.800 0.083 0.000 2.198 484 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.156 484 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.156 484 G C -0.402 174.532 174.900 0.055 0.000 1.012 484 G CA -0.343 44.792 45.100 0.059 0.000 0.692 484 G HN 0.313 nan 8.290 nan 0.000 0.492 485 D N 0.982 121.426 120.400 0.074 0.000 2.399 485 D HA 0.398 5.038 4.640 -0.000 0.000 0.241 485 D C 0.612 176.951 176.300 0.065 0.000 1.133 485 D CA 0.622 54.655 54.000 0.054 0.000 0.890 485 D CB 1.094 41.921 40.800 0.045 0.000 1.201 485 D HN 0.495 nan 8.370 nan 0.000 0.432 486 E N 0.421 120.642 120.200 0.034 0.000 2.249 486 E HA 0.528 4.878 4.350 -0.000 0.000 0.263 486 E C -0.247 176.357 176.600 0.007 0.000 0.950 486 E CA -0.702 55.725 56.400 0.045 0.000 0.827 486 E CB 1.693 31.410 29.700 0.029 0.000 1.220 486 E HN 0.235 nan 8.360 nan 0.000 0.411 487 M N 1.311 120.942 119.600 0.052 0.000 2.550 487 M HA 0.415 4.895 4.480 -0.000 0.000 0.292 487 M C -1.183 175.099 176.300 -0.030 0.000 1.221 487 M CA -1.005 54.200 55.300 -0.160 0.000 0.873 487 M CB 1.995 34.266 32.600 -0.548 0.000 1.727 487 M HN 0.378 nan 8.290 nan 0.000 0.459 488 N N 1.400 119.982 118.700 -0.196 0.000 2.466 488 N HA 0.766 5.506 4.740 -0.000 0.000 0.294 488 N C -1.465 173.916 175.510 -0.215 0.000 1.129 488 N CA -0.500 52.467 53.050 -0.139 0.000 0.931 488 N CB 1.651 40.047 38.487 -0.152 0.000 1.193 488 N HN 0.525 nan 8.380 nan 0.000 0.500 489 L N 1.599 122.679 121.223 -0.238 0.000 2.385 489 L HA 0.450 4.789 4.340 -0.000 0.000 0.273 489 L C -1.366 175.319 176.870 -0.308 0.000 0.990 489 L CA -0.447 54.276 54.840 -0.194 0.000 0.821 489 L CB 1.133 43.045 42.059 -0.245 0.000 1.279 489 L HN 0.543 nan 8.230 nan 0.000 0.412 490 H N 4.495 123.607 119.070 0.069 0.000 2.547 490 H HA 0.509 5.064 4.556 -0.000 0.000 0.342 490 H C -1.094 174.290 175.328 0.094 0.000 1.048 490 H CA -0.614 55.489 56.048 0.093 0.000 1.204 490 H CB 2.215 32.023 29.762 0.076 0.000 1.493 490 H HN 0.371 nan 8.280 nan 0.000 0.511 491 V N 6.557 126.615 119.914 0.239 0.000 2.350 491 V HA 0.160 4.280 4.120 -0.000 0.000 0.276 491 V C -1.699 174.485 176.094 0.150 0.000 1.028 491 V CA -1.512 60.899 62.300 0.185 0.000 0.860 491 V CB 1.296 33.259 31.823 0.234 0.000 0.990 491 V HN 0.633 nan 8.190 nan 0.000 0.453 492 P HA 0.050 nan 4.420 nan 0.000 0.270 492 P C -0.444 176.910 177.300 0.091 0.000 1.227 492 P CA 0.089 63.230 63.100 0.069 0.000 0.788 492 P CB 1.406 33.141 31.700 0.058 0.000 0.926 493 Q N -0.657 119.165 119.800 0.037 0.000 2.254 493 Q HA 0.179 4.519 4.340 -0.000 0.000 0.259 493 Q C 0.697 176.697 176.000 0.001 0.000 0.815 493 Q CA 0.302 56.085 55.803 -0.033 0.000 0.961 493 Q CB 0.347 28.914 28.738 -0.286 0.000 1.140 493 Q HN 0.478 nan 8.270 nan 0.000 0.502 494 S N -0.684 115.050 115.700 0.056 0.000 2.638 494 S HA 0.258 4.727 4.470 -0.000 0.000 0.298 494 S C 0.753 175.440 174.600 0.144 0.000 1.111 494 S CA -0.375 57.852 58.200 0.045 0.000 1.027 494 S CB 1.338 64.540 63.200 0.003 0.000 1.064 494 S HN 0.153 nan 8.310 nan 0.000 0.525 495 E N 1.573 121.849 120.200 0.127 0.000 2.204 495 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 495 E C 1.560 178.214 176.600 0.090 0.000 0.990 495 E CA 2.125 58.612 56.400 0.146 0.000 0.821 495 E CB -0.033 29.735 29.700 0.114 0.000 0.750 495 E HN 0.812 nan 8.360 nan 0.000 0.477 496 E N -1.966 118.272 120.200 0.063 0.000 2.340 496 E HA 0.015 4.365 4.350 -0.000 0.000 0.194 496 E C 1.681 178.302 176.600 0.036 0.000 0.996 496 E CA 0.872 57.299 56.400 0.045 0.000 0.869 496 E CB -0.091 29.631 29.700 0.035 0.000 0.835 496 E HN 0.002 nan 8.360 nan 0.000 0.493 497 T N 1.845 116.423 114.554 0.039 0.000 2.812 497 T HA -0.117 4.233 4.350 -0.000 0.000 0.264 497 T C 1.843 176.561 174.700 0.031 0.000 1.042 497 T CA 1.681 63.797 62.100 0.027 0.000 1.140 497 T CB -0.144 68.740 68.868 0.027 0.000 0.870 497 T HN 0.335 nan 8.240 nan 0.000 0.445 498 R N 1.831 122.357 120.500 0.042 0.000 2.115 498 R HA 0.218 4.557 4.340 -0.000 0.000 0.230 498 R C 2.631 178.938 176.300 0.013 0.000 1.111 498 R CA 1.129 57.239 56.100 0.017 0.000 0.976 498 R CB -0.687 29.606 30.300 -0.012 0.000 0.870 498 R HN 0.294 nan 8.270 nan 0.000 0.445 499 A N 2.061 124.896 122.820 0.023 0.000 1.883 499 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 499 A C 2.064 179.658 177.584 0.017 0.000 1.186 499 A CA 1.744 53.794 52.037 0.021 0.000 0.624 499 A CB -0.535 18.485 19.000 0.033 0.000 0.822 499 A HN 0.475 nan 8.150 nan 0.000 0.444 500 E N -0.466 119.745 120.200 0.018 0.000 2.160 500 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 500 E C 1.957 178.559 176.600 0.004 0.000 0.991 500 E CA 1.207 57.614 56.400 0.011 0.000 0.810 500 E CB -0.247 29.456 29.700 0.005 0.000 0.742 500 E HN 0.669 nan 8.360 nan 0.000 0.466 501 L N 0.296 121.523 121.223 0.007 0.000 2.023 501 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 501 L C 2.762 179.631 176.870 -0.002 0.000 1.073 501 L CA 1.285 56.130 54.840 0.007 0.000 0.745 501 L CB -0.620 41.451 42.059 0.019 0.000 0.900 501 L HN 0.186 nan 8.230 nan 0.000 0.435 502 S N -0.849 114.848 115.700 -0.004 0.000 2.382 502 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 502 S C 1.921 176.512 174.600 -0.015 0.000 1.027 502 S CA 0.815 59.008 58.200 -0.012 0.000 0.991 502 S CB -0.242 62.951 63.200 -0.012 0.000 0.823 502 S HN 0.361 nan 8.310 nan 0.000 0.469 503 Q N 0.148 119.943 119.800 -0.009 0.000 2.250 503 Q HA 0.348 4.688 4.340 -0.000 0.000 0.200 503 Q C 1.861 177.848 176.000 -0.021 0.000 0.941 503 Q CA 0.600 56.397 55.803 -0.009 0.000 0.872 503 Q CB -0.413 28.328 28.738 0.005 0.000 0.965 503 Q HN 0.457 nan 8.270 nan 0.000 0.480 504 L N -0.888 120.322 121.223 -0.022 0.000 2.349 504 L HA 0.048 4.388 4.340 -0.000 0.000 0.200 504 L C 1.261 178.101 176.870 -0.051 0.000 1.064 504 L CA 0.952 55.770 54.840 -0.037 0.000 0.821 504 L CB 0.019 42.061 42.059 -0.029 0.000 1.027 504 L HN 0.202 nan 8.230 nan 0.000 0.476 505 C N -0.891 118.386 119.300 -0.039 0.000 2.557 505 C HA 0.816 5.276 4.460 -0.000 0.000 0.281 505 C C 0.822 175.782 174.990 -0.051 0.000 1.490 505 C CA -1.603 57.388 59.018 -0.046 0.000 1.771 505 C CB -1.567 26.157 27.740 -0.027 0.000 2.887 505 C HN 0.248 nan 8.230 nan 0.000 0.527 506 A N 0.943 123.724 122.820 -0.064 0.000 2.401 506 A HA 0.535 4.855 4.320 -0.000 0.000 0.259 506 A C 1.275 178.775 177.584 -0.138 0.000 1.103 506 A CA -0.058 51.927 52.037 -0.086 0.000 0.789 506 A CB 0.434 19.392 19.000 -0.070 0.000 1.035 506 A HN 0.531 nan 8.150 nan 0.000 0.491 507 V N 3.408 123.193 119.914 -0.217 0.000 2.280 507 V HA -0.276 3.843 4.120 -0.000 0.000 0.258 507 V C -0.354 175.615 176.094 -0.208 0.000 1.081 507 V CA 2.918 65.056 62.300 -0.269 0.000 1.070 507 V CB -1.841 29.741 31.823 -0.401 0.000 0.666 507 V HN 0.817 nan 8.190 nan 0.000 0.450 508 P HA -0.148 nan 4.420 nan 0.000 0.215 508 P C 1.910 179.149 177.300 -0.101 0.000 1.157 508 P CA 1.483 64.513 63.100 -0.116 0.000 0.868 508 P CB -0.123 31.532 31.700 -0.075 0.000 0.788 509 L N -1.137 120.026 121.223 -0.099 0.000 2.083 509 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 509 L C 2.234 179.029 176.870 -0.125 0.000 1.083 509 L CA 1.204 55.986 54.840 -0.097 0.000 0.752 509 L CB -1.118 40.888 42.059 -0.089 0.000 0.899 509 L HN -0.026 nan 8.230 nan 0.000 0.433 510 Q N 0.125 119.837 119.800 -0.147 0.000 2.515 510 Q HA -0.003 4.337 4.340 -0.000 0.000 0.212 510 Q C 2.162 178.051 176.000 -0.186 0.000 0.970 510 Q CA 0.733 56.431 55.803 -0.174 0.000 0.941 510 Q CB -0.119 28.504 28.738 -0.192 0.000 0.998 510 Q HN 0.609 nan 8.270 nan 0.000 0.518 511 I N -0.465 120.009 120.570 -0.160 0.000 2.087 511 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 511 I C 1.024 177.056 176.117 -0.142 0.000 1.054 511 I CA 1.029 62.248 61.300 -0.135 0.000 1.311 511 I CB -0.171 37.793 38.000 -0.060 0.000 1.024 511 I HN -0.080 nan 8.210 nan 0.000 0.402 512 V N 1.861 121.678 119.914 -0.161 0.000 2.348 512 V HA 0.128 4.248 4.120 -0.000 0.000 0.270 512 V C 0.251 176.212 176.094 -0.221 0.000 1.037 512 V CA -0.170 61.995 62.300 -0.225 0.000 0.872 512 V CB 1.131 32.796 31.823 -0.262 0.000 1.002 512 V HN 0.302 nan 8.190 nan 0.000 0.464 513 S N 8.806 124.374 115.700 -0.220 0.000 2.537 513 S HA 0.444 4.913 4.470 -0.000 0.000 0.275 513 S C -1.046 173.454 174.600 -0.167 0.000 1.272 513 S CA -1.182 56.893 58.200 -0.207 0.000 1.050 513 S CB 1.565 64.621 63.200 -0.241 0.000 0.961 513 S HN 0.673 nan 8.310 nan 0.000 0.496 514 P HA -0.108 nan 4.420 nan 0.000 0.229 514 P C 1.240 178.586 177.300 0.076 0.000 1.160 514 P CA 0.607 63.692 63.100 -0.025 0.000 0.777 514 P CB 0.141 31.843 31.700 0.003 0.000 0.814 515 Q N 1.673 121.434 119.800 -0.064 0.000 2.045 515 Q HA -0.128 4.211 4.340 -0.000 0.000 0.206 515 Q C 0.663 176.630 176.000 -0.055 0.000 0.991 515 Q CA 2.259 58.000 55.803 -0.103 0.000 0.851 515 Q CB -0.131 28.489 28.738 -0.196 0.000 0.911 515 Q HN 0.272 nan 8.270 nan 0.000 0.418 516 S N 0.237 115.830 115.700 -0.178 0.000 2.474 516 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 516 S C -0.523 173.920 174.600 -0.263 0.000 1.209 516 S CA -0.170 57.803 58.200 -0.377 0.000 1.212 516 S CB -0.412 62.516 63.200 -0.453 0.000 1.137 516 S HN 0.599 nan 8.310 nan 0.000 0.446 517 N N 1.649 120.266 118.700 -0.139 0.000 2.730 517 N HA -0.310 4.430 4.740 -0.000 0.000 0.266 517 N C -0.418 175.086 175.510 -0.009 0.000 0.949 517 N CA 1.812 54.837 53.050 -0.040 0.000 0.829 517 N CB -1.670 36.848 38.487 0.051 0.000 0.916 517 N HN 0.984 nan 8.380 nan 0.000 0.558 518 K N -3.550 116.766 120.400 -0.140 0.000 2.615 518 K HA 0.578 4.898 4.320 -0.000 0.000 0.291 518 K C -3.429 172.984 176.600 -0.310 0.000 1.017 518 K CA -1.976 54.167 56.287 -0.240 0.000 0.882 518 K CB 1.807 34.293 32.500 -0.023 0.000 1.522 518 K HN -0.104 nan 8.250 nan 0.000 0.412 519 P HA 0.011 nan 4.420 nan 0.000 0.269 519 P C 0.498 177.723 177.300 -0.125 0.000 1.209 519 P CA -0.372 62.603 63.100 -0.209 0.000 0.776 519 P CB 0.618 32.243 31.700 -0.125 0.000 0.876 520 C N 1.618 120.844 119.300 -0.123 0.000 2.760 520 C HA 0.621 5.081 4.460 -0.000 0.000 0.293 520 C C 0.170 175.110 174.990 -0.083 0.000 1.383 520 C CA -0.557 58.389 59.018 -0.121 0.000 1.771 520 C CB -1.522 26.099 27.740 -0.198 0.000 2.353 520 C HN 0.399 nan 8.230 nan 0.000 0.578 521 M N 0.966 120.560 119.600 -0.011 0.000 2.322 521 M HA 0.610 5.090 4.480 -0.000 0.000 0.286 521 M C 0.105 176.556 176.300 0.252 0.000 1.111 521 M CA 0.190 55.520 55.300 0.049 0.000 0.941 521 M CB 2.296 34.838 32.600 -0.096 0.000 1.671 521 M HN 0.412 nan 8.290 nan 0.000 0.470 522 G N 2.380 111.329 108.800 0.249 0.000 3.166 522 G HA2 0.767 4.727 3.960 -0.000 0.000 0.267 522 G HA3 0.767 4.727 3.960 -0.000 0.000 0.267 522 G C -1.334 173.704 174.900 0.230 0.000 1.256 522 G CA -0.554 44.680 45.100 0.223 0.000 0.859 522 G HN 0.496 nan 8.290 nan 0.000 0.590 523 I N 1.355 121.968 120.570 0.073 0.000 2.359 523 I HA 0.530 4.700 4.170 -0.000 0.000 0.294 523 I C 0.164 176.307 176.117 0.043 0.000 0.987 523 I CA -0.428 60.905 61.300 0.055 0.000 1.225 523 I CB 0.740 38.723 38.000 -0.030 0.000 1.366 523 I HN 0.188 nan 8.210 nan 0.000 0.466 524 V N 4.523 124.469 119.914 0.054 0.000 3.119 524 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 524 V C 0.319 176.423 176.094 0.016 0.000 1.259 524 V CA -0.826 61.491 62.300 0.029 0.000 1.067 524 V CB 1.184 33.029 31.823 0.037 0.000 1.123 524 V HN 0.797 nan 8.190 nan 0.000 0.463 525 Q N -0.121 119.682 119.800 0.004 0.000 2.046 525 Q HA -0.340 4.000 4.340 -0.000 0.000 0.437 525 Q C 1.165 177.148 176.000 -0.028 0.000 0.778 525 Q CA 2.148 57.949 55.803 -0.003 0.000 0.836 525 Q CB -1.434 27.318 28.738 0.024 0.000 3.591 525 Q HN 1.005 nan 8.270 nan 0.000 0.849 526 D N 0.077 120.469 120.400 -0.014 0.000 2.205 526 D HA -0.150 4.489 4.640 -0.000 0.000 0.190 526 D C 1.976 178.249 176.300 -0.044 0.000 1.002 526 D CA 2.658 56.637 54.000 -0.035 0.000 0.848 526 D CB -0.736 40.062 40.800 -0.003 0.000 0.975 526 D HN 0.598 nan 8.370 nan 0.000 0.449 527 T N 0.820 115.367 114.554 -0.013 0.000 2.680 527 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 527 T C 1.829 176.504 174.700 -0.043 0.000 1.033 527 T CA 1.260 63.351 62.100 -0.015 0.000 1.152 527 T CB -0.467 68.406 68.868 0.008 0.000 0.859 527 T HN 0.040 nan 8.240 nan 0.000 0.452 528 L N 0.923 122.119 121.223 -0.044 0.000 1.976 528 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 528 L C 2.746 179.560 176.870 -0.093 0.000 1.071 528 L CA 1.534 56.338 54.840 -0.060 0.000 0.746 528 L CB -1.411 40.623 42.059 -0.042 0.000 0.890 528 L HN 0.449 nan 8.230 nan 0.000 0.432 529 C N 0.054 119.277 119.300 -0.129 0.000 2.413 529 C HA -0.085 4.375 4.460 -0.000 0.000 0.276 529 C C 2.778 177.641 174.990 -0.211 0.000 1.248 529 C CA 0.991 59.874 59.018 -0.225 0.000 1.742 529 C CB -1.686 25.828 27.740 -0.376 0.000 2.017 529 C HN 0.721 nan 8.230 nan 0.000 0.481 530 G N -0.345 108.374 108.800 -0.136 0.000 2.396 530 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.214 530 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.214 530 G C 1.602 176.450 174.900 -0.086 0.000 1.166 530 G CA 0.735 45.818 45.100 -0.029 0.000 0.793 530 G HN 0.602 nan 8.290 nan 0.000 0.533 531 I N 0.475 120.980 120.570 -0.109 0.000 2.423 531 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 531 I C 2.779 178.786 176.117 -0.183 0.000 1.151 531 I CA 1.268 62.472 61.300 -0.160 0.000 1.421 531 I CB -0.049 37.876 38.000 -0.125 0.000 1.079 531 I HN 0.196 nan 8.210 nan 0.000 0.431 532 R N 1.233 121.650 120.500 -0.138 0.000 2.070 532 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 532 R C 2.256 178.477 176.300 -0.131 0.000 1.138 532 R CA 1.762 57.793 56.100 -0.115 0.000 0.936 532 R CB -0.248 30.006 30.300 -0.077 0.000 0.839 532 R HN 0.271 nan 8.270 nan 0.000 0.429 533 K N 0.540 120.878 120.400 -0.103 0.000 2.113 533 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 533 K C 2.070 178.486 176.600 -0.307 0.000 1.047 533 K CA 1.492 57.745 56.287 -0.057 0.000 0.928 533 K CB -0.358 32.244 32.500 0.169 0.000 0.716 533 K HN 0.222 nan 8.250 nan 0.000 0.446 534 L N 0.919 121.722 121.223 -0.700 0.000 2.549 534 L HA -0.071 4.269 4.340 -0.000 0.000 0.229 534 L C 1.626 178.180 176.870 -0.527 0.000 1.158 534 L CA 1.402 55.593 54.840 -1.083 0.000 0.842 534 L CB -0.031 41.259 42.059 -1.283 0.000 0.952 534 L HN 0.015 nan 8.230 nan 0.000 0.452 535 T N -0.623 113.737 114.554 -0.323 0.000 3.042 535 T HA 0.237 4.587 4.350 -0.000 0.000 0.245 535 T C 0.732 175.350 174.700 -0.137 0.000 1.029 535 T CA -0.336 61.638 62.100 -0.211 0.000 1.120 535 T CB -0.088 68.679 68.868 -0.167 0.000 0.917 535 T HN 0.112 nan 8.240 nan 0.000 0.467 536 L N 2.691 123.860 121.223 -0.091 0.000 2.678 536 L HA 0.001 4.341 4.340 -0.000 0.000 0.285 536 L C 1.793 178.653 176.870 -0.017 0.000 1.233 536 L CA -0.029 54.796 54.840 -0.026 0.000 0.920 536 L CB 0.209 42.279 42.059 0.018 0.000 1.176 536 L HN 0.162 nan 8.230 nan 0.000 0.495 537 R N 1.639 122.144 120.500 0.008 0.000 2.165 537 R HA -0.263 4.077 4.340 -0.000 0.000 0.254 537 R C 1.399 177.781 176.300 0.136 0.000 1.153 537 R CA 2.189 58.309 56.100 0.034 0.000 0.971 537 R CB -0.237 30.111 30.300 0.079 0.000 0.878 537 R HN 0.740 nan 8.270 nan 0.000 0.449 538 D N -0.065 120.443 120.400 0.180 0.000 2.190 538 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 538 D C 0.104 176.644 176.300 0.399 0.000 0.992 538 D CA 1.010 55.182 54.000 0.287 0.000 0.854 538 D CB -0.160 40.748 40.800 0.181 0.000 0.936 538 D HN 0.153 nan 8.370 nan 0.000 0.462 539 T N 1.241 115.905 114.554 0.185 0.000 2.754 539 T HA 0.137 4.487 4.350 -0.000 0.000 0.282 539 T C -0.154 174.554 174.700 0.012 0.000 0.923 539 T CA 0.079 62.272 62.100 0.155 0.000 1.164 539 T CB -0.294 68.579 68.868 0.009 0.000 0.873 539 T HN -0.152 nan 8.240 nan 0.000 0.537 540 F N 2.875 122.913 119.950 0.147 0.000 2.507 540 F HA 0.575 5.102 4.527 -0.000 0.000 0.325 540 F C 0.233 176.162 175.800 0.215 0.000 1.116 540 F CA -1.356 56.736 58.000 0.153 0.000 0.930 540 F CB 1.281 40.346 39.000 0.108 0.000 1.146 540 F HN 0.351 nan 8.300 nan 0.000 0.447 541 I N 3.252 124.044 120.570 0.370 0.000 2.433 541 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 541 I C -0.486 175.898 176.117 0.446 0.000 1.001 541 I CA -0.765 60.758 61.300 0.371 0.000 1.119 541 I CB 1.786 39.979 38.000 0.322 0.000 1.289 541 I HN 0.611 nan 8.210 nan 0.000 0.438 542 E N 5.610 126.024 120.200 0.356 0.000 2.242 542 E HA 0.215 4.565 4.350 -0.000 0.000 0.275 542 E C 0.730 177.512 176.600 0.303 0.000 1.002 542 E CA -0.784 55.856 56.400 0.401 0.000 0.841 542 E CB 2.001 31.858 29.700 0.261 0.000 1.109 542 E HN 0.423 nan 8.360 nan 0.000 0.394 543 L N 2.880 124.362 121.223 0.432 0.000 2.107 543 L HA -0.413 3.927 4.340 -0.000 0.000 0.242 543 L C 2.062 178.902 176.870 -0.050 0.000 1.115 543 L CA 3.082 57.966 54.840 0.073 0.000 0.842 543 L CB -0.979 41.242 42.059 0.270 0.000 0.941 543 L HN 1.014 nan 8.230 nan 0.000 0.448 544 D N -1.219 119.202 120.400 0.035 0.000 2.242 544 D HA -0.364 4.276 4.640 -0.000 0.000 0.190 544 D C 1.927 178.225 176.300 -0.003 0.000 1.012 544 D CA 2.558 56.565 54.000 0.013 0.000 0.875 544 D CB -0.644 40.176 40.800 0.034 0.000 0.922 544 D HN 0.790 nan 8.370 nan 0.000 0.448 545 Q N -0.035 119.779 119.800 0.023 0.000 2.089 545 Q HA -0.010 4.330 4.340 -0.000 0.000 0.195 545 Q C 2.588 178.579 176.000 -0.015 0.000 0.963 545 Q CA 0.625 56.470 55.803 0.070 0.000 0.834 545 Q CB 0.181 29.002 28.738 0.138 0.000 0.906 545 Q HN 0.177 nan 8.270 nan 0.000 0.452 546 V N 1.647 121.488 119.914 -0.122 0.000 2.370 546 V HA -0.329 3.791 4.120 -0.000 0.000 0.252 546 V C 2.302 178.158 176.094 -0.398 0.000 1.068 546 V CA 1.580 63.683 62.300 -0.328 0.000 1.061 546 V CB -0.549 30.806 31.823 -0.781 0.000 0.656 546 V HN 0.437 nan 8.190 nan 0.000 0.455 547 L N -0.337 120.682 121.223 -0.339 0.000 2.046 547 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 547 L C 2.488 179.199 176.870 -0.266 0.000 1.077 547 L CA 1.616 56.262 54.840 -0.323 0.000 0.747 547 L CB -0.786 41.153 42.059 -0.200 0.000 0.896 547 L HN 0.428 nan 8.230 nan 0.000 0.432 548 N N 0.078 118.690 118.700 -0.147 0.000 2.106 548 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 548 N C 1.930 177.310 175.510 -0.216 0.000 1.029 548 N CA 1.320 54.307 53.050 -0.104 0.000 0.848 548 N CB -0.179 38.292 38.487 -0.027 0.000 1.007 548 N HN 0.292 nan 8.380 nan 0.000 0.423 549 M N 0.609 120.053 119.600 -0.260 0.000 2.106 549 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 549 M C 2.092 178.234 176.300 -0.264 0.000 1.068 549 M CA 1.302 56.456 55.300 -0.244 0.000 1.100 549 M CB -0.413 32.134 32.600 -0.088 0.000 1.351 549 M HN 0.109 nan 8.290 nan 0.000 0.404 550 L N -1.577 119.369 121.223 -0.462 0.000 2.027 550 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 550 L C 2.598 179.096 176.870 -0.621 0.000 1.074 550 L CA 1.242 55.580 54.840 -0.837 0.000 0.745 550 L CB -0.878 40.248 42.059 -1.555 0.000 0.898 550 L HN 0.207 nan 8.230 nan 0.000 0.433 551 Y N -0.491 119.461 120.300 -0.579 0.000 2.207 551 Y HA -0.285 4.265 4.550 -0.000 0.000 0.287 551 Y C 2.119 177.906 175.900 -0.189 0.000 1.156 551 Y CA 0.996 58.934 58.100 -0.269 0.000 1.182 551 Y CB -0.644 37.682 38.460 -0.223 0.000 0.979 551 Y HN 0.112 nan 8.280 nan 0.000 0.521 552 W N -0.186 120.936 121.300 -0.297 0.000 2.421 552 W HA -0.047 4.613 4.660 -0.000 0.000 0.270 552 W C 0.561 176.955 176.519 -0.208 0.000 1.233 552 W CA 1.064 58.218 57.345 -0.318 0.000 1.226 552 W CB -0.309 28.939 29.460 -0.354 0.000 1.121 552 W HN -0.340 nan 8.180 nan 0.000 0.579 553 V N 4.179 124.120 119.914 0.045 0.000 2.405 553 V HA -0.011 4.109 4.120 -0.000 0.000 0.264 553 V C -0.774 175.353 176.094 0.055 0.000 1.048 553 V CA -0.948 61.395 62.300 0.072 0.000 0.966 553 V CB 0.805 32.676 31.823 0.081 0.000 1.015 553 V HN -0.087 nan 8.190 nan 0.000 0.477 554 P HA -0.144 nan 4.420 nan 0.000 0.223 554 P C 0.564 177.891 177.300 0.045 0.000 1.144 554 P CA 1.239 64.325 63.100 -0.024 0.000 0.783 554 P CB 0.524 32.204 31.700 -0.032 0.000 0.771 555 D N -2.291 118.165 120.400 0.092 0.000 2.324 555 D HA -0.032 4.608 4.640 -0.000 0.000 0.212 555 D C 0.666 177.055 176.300 0.148 0.000 0.984 555 D CA -0.250 53.806 54.000 0.093 0.000 0.885 555 D CB -0.573 40.270 40.800 0.071 0.000 0.996 555 D HN 0.095 nan 8.370 nan 0.000 0.505 556 W N 5.066 126.369 121.300 0.005 0.000 2.637 556 W HA -0.207 4.453 4.660 -0.000 0.000 0.314 556 W C 0.780 177.310 176.519 0.018 0.000 0.827 556 W CA 0.067 57.421 57.345 0.015 0.000 0.921 556 W CB 0.213 29.691 29.460 0.030 0.000 1.028 556 W HN 0.027 nan 8.180 nan 0.000 0.522 557 D N 4.566 124.697 120.400 -0.448 0.000 2.332 557 D HA 0.072 4.712 4.640 -0.000 0.000 0.244 557 D C 1.447 177.195 176.300 -0.919 0.000 1.136 557 D CA 0.448 54.147 54.000 -0.502 0.000 0.884 557 D CB -0.789 39.850 40.800 -0.267 0.000 0.906 557 D HN 0.868 nan 8.370 nan 0.000 0.520 558 G N -0.092 107.494 108.800 -2.024 0.000 2.356 558 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.296 558 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.296 558 G C -0.058 174.159 174.900 -1.138 0.000 1.022 558 G CA 0.320 44.067 45.100 -2.254 0.000 0.961 558 G HN 0.400 nan 8.290 nan 0.000 0.510 559 V N 1.916 121.336 119.914 -0.822 0.000 2.327 559 V HA 0.310 4.430 4.120 -0.000 0.000 0.272 559 V C 0.866 177.168 176.094 0.346 0.000 1.019 559 V CA -0.953 61.294 62.300 -0.088 0.000 0.814 559 V CB 1.171 32.943 31.823 -0.085 0.000 1.040 559 V HN 0.394 nan 8.190 nan 0.000 0.440 560 I N 7.947 128.766 120.570 0.415 0.000 2.752 560 I HA 0.091 4.261 4.170 -0.000 0.000 0.286 560 I C -1.409 174.888 176.117 0.299 0.000 1.180 560 I CA -0.770 60.750 61.300 0.367 0.000 1.404 560 I CB 0.591 38.745 38.000 0.257 0.000 1.389 560 I HN 0.396 nan 8.210 nan 0.000 0.549 561 P HA 0.106 nan 4.420 nan 0.000 0.275 561 P C -0.483 177.083 177.300 0.443 0.000 1.227 561 P CA -0.389 62.890 63.100 0.299 0.000 0.781 561 P CB 0.506 32.359 31.700 0.255 0.000 0.906 562 T N 3.042 117.764 114.554 0.280 0.000 2.871 562 T HA 0.112 4.461 4.350 -0.000 0.000 0.296 562 T C -2.160 172.582 174.700 0.071 0.000 0.998 562 T CA -0.921 61.294 62.100 0.190 0.000 1.162 562 T CB -1.126 67.791 68.868 0.082 0.000 0.947 562 T HN 0.337 nan 8.240 nan 0.000 0.536 563 P HA 0.152 nan 4.420 nan 0.000 0.262 563 P C 0.647 177.704 177.300 -0.405 0.000 1.182 563 P CA -0.128 62.390 63.100 -0.969 0.000 0.761 563 P CB 0.292 31.284 31.700 -1.180 0.000 0.795 564 A N 4.445 127.090 122.820 -0.292 0.000 1.972 564 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 564 A C 1.017 178.547 177.584 -0.090 0.000 1.169 564 A CA 1.249 53.222 52.037 -0.106 0.000 0.635 564 A CB -0.607 18.364 19.000 -0.048 0.000 0.810 564 A HN 0.558 nan 8.150 nan 0.000 0.446 565 I N 0.196 120.682 120.570 -0.140 0.000 2.411 565 I HA 0.268 4.438 4.170 -0.000 0.000 0.284 565 I C 0.356 176.364 176.117 -0.182 0.000 1.012 565 I CA -0.304 60.943 61.300 -0.088 0.000 1.119 565 I CB 1.679 39.696 38.000 0.027 0.000 1.261 565 I HN 0.222 nan 8.210 nan 0.000 0.448 566 I N 5.400 125.889 120.570 -0.135 0.000 2.810 566 I HA -0.049 4.121 4.170 -0.000 0.000 0.262 566 I C 1.875 177.940 176.117 -0.086 0.000 1.131 566 I CA -0.048 61.171 61.300 -0.134 0.000 1.453 566 I CB -0.434 37.508 38.000 -0.096 0.000 1.161 566 I HN 0.544 nan 8.210 nan 0.000 0.444 567 K N 2.788 123.151 120.400 -0.062 0.000 2.609 567 K HA -0.239 4.081 4.320 -0.000 0.000 0.130 567 K C -0.923 175.652 176.600 -0.041 0.000 0.669 567 K CA 1.741 58.001 56.287 -0.045 0.000 0.842 567 K CB -2.787 29.688 32.500 -0.043 0.000 0.258 567 K HN 0.101 nan 8.250 nan 0.000 1.065 568 P HA -0.150 nan 4.420 nan 0.000 0.214 568 P C 0.039 177.322 177.300 -0.027 0.000 1.162 568 P CA 1.488 64.569 63.100 -0.031 0.000 0.879 568 P CB 0.072 31.753 31.700 -0.032 0.000 0.786 569 K N 0.651 121.030 120.400 -0.035 0.000 2.270 569 K HA 0.357 4.677 4.320 -0.000 0.000 0.255 569 K C -2.622 173.944 176.600 -0.057 0.000 0.936 569 K CA -2.698 53.576 56.287 -0.022 0.000 0.809 569 K CB 2.199 34.697 32.500 -0.003 0.000 1.131 569 K HN -0.105 nan 8.250 nan 0.000 0.427 570 P HA 0.142 nan 4.420 nan 0.000 0.280 570 P C -1.216 175.915 177.300 -0.281 0.000 1.300 570 P CA -0.420 62.531 63.100 -0.248 0.000 0.785 570 P CB 0.631 32.209 31.700 -0.203 0.000 0.874 571 L N 4.758 125.800 121.223 -0.302 0.000 2.333 571 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 571 L C -0.122 176.637 176.870 -0.185 0.000 1.010 571 L CA -0.509 54.320 54.840 -0.019 0.000 0.818 571 L CB 1.478 43.682 42.059 0.241 0.000 1.306 571 L HN 0.409 nan 8.230 nan 0.000 0.430 572 W N 0.717 122.097 121.300 0.132 0.000 2.781 572 W HA 0.605 5.265 4.660 -0.000 0.000 0.345 572 W C -0.255 176.217 176.519 -0.078 0.000 1.085 572 W CA -0.708 56.657 57.345 0.034 0.000 1.198 572 W CB 2.308 31.784 29.460 0.026 0.000 1.423 572 W HN 0.514 nan 8.180 nan 0.000 0.532 573 S N -0.339 115.362 115.700 0.001 0.000 2.593 573 S HA 0.526 4.996 4.470 -0.000 0.000 0.297 573 S C 0.867 175.379 174.600 -0.146 0.000 1.112 573 S CA -0.101 57.933 58.200 -0.278 0.000 1.043 573 S CB 1.848 64.785 63.200 -0.438 0.000 1.054 573 S HN 0.641 nan 8.310 nan 0.000 0.516 574 G N 2.013 110.682 108.800 -0.218 0.000 2.586 574 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 574 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 574 G C 1.211 175.994 174.900 -0.196 0.000 1.216 574 G CA 1.069 46.017 45.100 -0.253 0.000 0.786 574 G HN 0.818 nan 8.290 nan 0.000 0.583 575 K N 0.116 120.406 120.400 -0.183 0.000 2.127 575 K HA -0.280 4.039 4.320 -0.000 0.000 0.212 575 K C 2.599 179.145 176.600 -0.089 0.000 1.050 575 K CA 1.851 58.058 56.287 -0.133 0.000 0.929 575 K CB -0.348 32.085 32.500 -0.111 0.000 0.715 575 K HN 0.460 nan 8.250 nan 0.000 0.457 576 Q N 0.453 120.217 119.800 -0.060 0.000 1.948 576 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 576 Q C 2.402 178.406 176.000 0.006 0.000 0.992 576 Q CA 2.176 57.984 55.803 0.008 0.000 0.849 576 Q CB -0.355 28.439 28.738 0.094 0.000 0.918 576 Q HN 0.538 nan 8.270 nan 0.000 0.421 577 I N -1.451 119.112 120.570 -0.012 0.000 2.286 577 I HA -0.208 3.961 4.170 -0.000 0.000 0.248 577 I C 2.296 178.373 176.117 -0.066 0.000 1.115 577 I CA 0.925 62.194 61.300 -0.051 0.000 1.392 577 I CB -0.452 37.493 38.000 -0.092 0.000 1.065 577 I HN 0.136 nan 8.210 nan 0.000 0.418 578 L N 1.486 122.653 121.223 -0.093 0.000 2.081 578 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 578 L C 2.361 179.191 176.870 -0.065 0.000 1.080 578 L CA 1.899 56.680 54.840 -0.098 0.000 0.754 578 L CB -0.685 41.292 42.059 -0.137 0.000 0.893 578 L HN 0.267 nan 8.230 nan 0.000 0.433 579 S N -1.405 114.264 115.700 -0.052 0.000 2.595 579 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 579 S C 1.763 176.362 174.600 -0.002 0.000 0.974 579 S CA 0.844 59.024 58.200 -0.033 0.000 0.942 579 S CB -0.303 62.880 63.200 -0.028 0.000 0.766 579 S HN 0.364 nan 8.310 nan 0.000 0.536 580 V N 1.126 121.044 119.914 0.007 0.000 2.871 580 V HA -0.017 4.103 4.120 -0.000 0.000 0.256 580 V C 2.423 178.546 176.094 0.048 0.000 1.082 580 V CA 1.354 63.685 62.300 0.051 0.000 1.105 580 V CB -0.864 30.988 31.823 0.049 0.000 0.713 580 V HN 0.537 nan 8.190 nan 0.000 0.473 581 A N 0.079 122.907 122.820 0.012 0.000 1.970 581 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 581 A C 1.220 178.805 177.584 0.001 0.000 1.170 581 A CA 0.421 52.464 52.037 0.011 0.000 0.645 581 A CB -0.308 18.685 19.000 -0.012 0.000 0.816 581 A HN 0.496 nan 8.150 nan 0.000 0.447 582 I N 2.966 123.527 120.570 -0.015 0.000 2.494 582 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 582 I C -1.858 174.257 176.117 -0.002 0.000 1.106 582 I CA -1.779 59.507 61.300 -0.022 0.000 1.369 582 I CB 0.390 38.367 38.000 -0.039 0.000 1.410 582 I HN 0.194 nan 8.210 nan 0.000 0.523 583 P HA -0.015 nan 4.420 nan 0.000 0.273 583 P C -0.754 176.552 177.300 0.009 0.000 1.258 583 P CA -0.154 62.954 63.100 0.014 0.000 0.802 583 P CB 0.561 32.271 31.700 0.016 0.000 1.040 584 N N -1.136 117.571 118.700 0.013 0.000 2.463 584 N HA 0.306 5.046 4.740 -0.000 0.000 0.270 584 N C 1.286 176.805 175.510 0.015 0.000 1.205 584 N CA 0.446 53.501 53.050 0.010 0.000 0.974 584 N CB 0.113 38.605 38.487 0.009 0.000 1.197 584 N HN 0.796 nan 8.380 nan 0.000 0.504 585 G N -0.280 108.530 108.800 0.016 0.000 2.148 585 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 585 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 585 G C -0.230 174.703 174.900 0.055 0.000 0.981 585 G CA -0.256 44.867 45.100 0.037 0.000 0.670 585 G HN 0.464 nan 8.290 nan 0.000 0.528 586 I N 1.809 122.398 120.570 0.031 0.000 2.297 586 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 586 I C 0.095 176.237 176.117 0.041 0.000 1.033 586 I CA -0.776 60.546 61.300 0.036 0.000 1.253 586 I CB 0.732 38.734 38.000 0.005 0.000 1.396 586 I HN 0.092 nan 8.210 nan 0.000 0.476 587 H N 7.329 126.395 119.070 -0.007 0.000 2.511 587 H HA 0.587 5.143 4.556 -0.000 0.000 0.328 587 H C -1.509 173.806 175.328 -0.023 0.000 1.044 587 H CA -0.622 55.420 56.048 -0.010 0.000 1.212 587 H CB 1.920 31.687 29.762 0.008 0.000 1.428 587 H HN 0.423 nan 8.280 nan 0.000 0.483 588 L N 4.227 125.555 121.223 0.174 0.000 2.455 588 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 588 L C -1.331 175.565 176.870 0.043 0.000 0.968 588 L CA -0.312 54.580 54.840 0.087 0.000 0.827 588 L CB 2.161 44.211 42.059 -0.015 0.000 1.317 588 L HN 0.676 nan 8.230 nan 0.000 0.407 589 Q N 3.305 123.132 119.800 0.047 0.000 2.345 589 Q HA 0.510 4.850 4.340 -0.000 0.000 0.275 589 Q C -0.881 175.135 176.000 0.026 0.000 1.063 589 Q CA -0.475 55.335 55.803 0.013 0.000 0.819 589 Q CB 2.764 31.599 28.738 0.162 0.000 1.356 589 Q HN 0.802 nan 8.270 nan 0.000 0.418 590 R N 1.654 122.122 120.500 -0.054 0.000 3.815 590 R HA 0.447 4.787 4.340 -0.000 0.000 0.133 590 R C -1.045 175.417 176.300 0.269 0.000 1.740 590 R CA 0.320 56.450 56.100 0.050 0.000 1.270 590 R CB 0.820 31.088 30.300 -0.053 0.000 1.340 590 R HN 0.596 nan 8.270 nan 0.000 0.449 591 F N 1.315 121.280 119.950 0.025 0.000 2.165 591 F HA -0.195 4.332 4.527 -0.000 0.000 0.524 591 F C -0.098 175.724 175.800 0.036 0.000 1.292 591 F CA 0.185 58.221 58.000 0.060 0.000 1.680 591 F CB -0.637 38.400 39.000 0.061 0.000 2.687 591 F HN 0.407 nan 8.300 nan 0.000 0.724 592 D N 1.636 122.129 120.400 0.155 0.000 2.394 592 D HA 0.061 4.701 4.640 -0.000 0.000 0.237 592 D C 1.352 177.717 176.300 0.108 0.000 1.028 592 D CA 1.396 55.457 54.000 0.102 0.000 0.937 592 D CB 0.362 41.196 40.800 0.055 0.000 1.072 592 D HN 0.740 nan 8.370 nan 0.000 0.457 593 E N -0.852 119.413 120.200 0.108 0.000 3.245 593 E HA 0.234 4.584 4.350 -0.000 0.000 0.225 593 E C 0.893 177.556 176.600 0.106 0.000 1.199 593 E CA -0.056 56.398 56.400 0.090 0.000 1.004 593 E CB 0.267 30.001 29.700 0.057 0.000 3.119 593 E HN 0.052 nan 8.360 nan 0.000 0.560 594 G N 1.959 110.808 108.800 0.081 0.000 3.325 594 G HA2 0.075 4.035 3.960 -0.000 0.000 0.242 594 G HA3 0.075 4.035 3.960 -0.000 0.000 0.242 594 G C -0.336 174.625 174.900 0.102 0.000 1.120 594 G CA 0.271 45.417 45.100 0.077 0.000 1.778 594 G HN 0.020 nan 8.290 nan 0.000 0.610 595 T N 0.806 115.466 114.554 0.176 0.000 2.875 595 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 595 T C 0.234 175.143 174.700 0.348 0.000 0.995 595 T CA -0.193 62.045 62.100 0.229 0.000 1.060 595 T CB 1.563 70.600 68.868 0.281 0.000 0.967 595 T HN 0.314 nan 8.240 nan 0.000 0.476 596 T N 0.461 115.159 114.554 0.240 0.000 3.688 596 T HA 0.242 4.591 4.350 -0.000 0.000 0.235 596 T C 0.303 175.058 174.700 0.092 0.000 0.649 596 T CA -0.975 61.293 62.100 0.281 0.000 1.302 596 T CB -0.645 68.300 68.868 0.129 0.000 1.026 596 T HN 0.406 nan 8.240 nan 0.000 0.551 597 L N -0.070 121.260 121.223 0.177 0.000 4.497 597 L HA -0.211 4.129 4.340 -0.000 0.000 0.457 597 L C 0.916 177.579 176.870 -0.346 0.000 1.059 597 L CA 1.614 56.450 54.840 -0.007 0.000 0.959 597 L CB -1.722 40.416 42.059 0.131 0.000 1.738 597 L HN 0.805 nan 8.230 nan 0.000 1.114 598 L N -1.037 119.895 121.223 -0.484 0.000 4.061 598 L HA 0.159 4.498 4.340 -0.000 0.000 0.403 598 L C 0.714 177.346 176.870 -0.397 0.000 1.233 598 L CA 0.337 54.915 54.840 -0.437 0.000 1.323 598 L CB 0.333 42.277 42.059 -0.192 0.000 1.460 598 L HN 0.252 nan 8.230 nan 0.000 0.601 599 S N 0.703 116.108 115.700 -0.492 0.000 4.004 599 S HA -0.063 4.407 4.470 -0.000 0.000 0.480 599 S C -1.044 173.472 174.600 -0.141 0.000 1.098 599 S CA -0.195 57.876 58.200 -0.215 0.000 1.033 599 S CB -0.220 62.934 63.200 -0.076 0.000 0.714 599 S HN 0.404 nan 8.310 nan 0.000 0.501 600 P HA -0.134 nan 4.420 nan 0.000 0.215 600 P C 0.773 178.067 177.300 -0.010 0.000 1.157 600 P CA 1.253 64.330 63.100 -0.038 0.000 0.859 600 P CB -0.003 31.686 31.700 -0.018 0.000 0.786 601 K N -0.574 119.831 120.400 0.008 0.000 2.555 601 K HA -0.040 4.280 4.320 -0.000 0.000 0.193 601 K C 0.131 176.752 176.600 0.035 0.000 1.032 601 K CA 0.397 56.698 56.287 0.024 0.000 1.004 601 K CB -0.768 31.750 32.500 0.030 0.000 0.804 601 K HN -0.012 nan 8.250 nan 0.000 0.496 602 D N 1.192 121.617 120.400 0.041 0.000 2.718 602 D HA -0.132 4.508 4.640 -0.000 0.000 0.242 602 D C -0.682 175.671 176.300 0.089 0.000 1.123 602 D CA 0.382 54.432 54.000 0.083 0.000 0.690 602 D CB -1.154 39.679 40.800 0.055 0.000 1.059 602 D HN 0.262 nan 8.370 nan 0.000 0.429 603 N N -0.432 118.333 118.700 0.109 0.000 2.514 603 N HA 0.566 5.306 4.740 -0.000 0.000 0.299 603 N C 1.570 177.111 175.510 0.051 0.000 1.292 603 N CA 0.216 53.311 53.050 0.075 0.000 0.963 603 N CB -0.159 38.374 38.487 0.077 0.000 1.124 603 N HN 0.374 nan 8.380 nan 0.000 0.580 604 G N 0.581 109.373 108.800 -0.013 0.000 2.582 604 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.369 604 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.369 604 G C -0.171 174.586 174.900 -0.238 0.000 1.370 604 G CA 1.286 46.311 45.100 -0.125 0.000 0.955 604 G HN 0.620 nan 8.290 nan 0.000 0.525 605 M N -1.823 117.511 119.600 -0.445 0.000 2.342 605 M HA 0.611 5.091 4.480 -0.000 0.000 0.276 605 M C -2.071 173.834 176.300 -0.657 0.000 1.054 605 M CA -0.547 54.441 55.300 -0.520 0.000 0.930 605 M CB 1.718 34.154 32.600 -0.274 0.000 1.929 605 M HN 1.280 nan 8.290 nan 0.000 0.492 606 L N 6.588 127.288 121.223 -0.872 0.000 2.404 606 L HA 0.830 5.170 4.340 -0.000 0.000 0.272 606 L C -2.037 174.605 176.870 -0.380 0.000 0.980 606 L CA -0.173 54.292 54.840 -0.624 0.000 0.836 606 L CB 1.436 43.020 42.059 -0.790 0.000 1.238 606 L HN 0.782 nan 8.230 nan 0.000 0.408 607 I N 6.287 126.707 120.570 -0.251 0.000 2.466 607 I HA 0.493 4.662 4.170 -0.000 0.000 0.289 607 I C -0.757 175.201 176.117 -0.266 0.000 1.026 607 I CA -0.430 60.748 61.300 -0.202 0.000 1.078 607 I CB 1.928 39.839 38.000 -0.150 0.000 1.249 607 I HN 0.488 nan 8.210 nan 0.000 0.429 608 I N 4.965 125.384 120.570 -0.252 0.000 2.498 608 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 608 I C 0.062 176.067 176.117 -0.186 0.000 1.032 608 I CA -0.388 60.697 61.300 -0.358 0.000 1.073 608 I CB 1.808 39.624 38.000 -0.307 0.000 1.251 608 I HN 0.660 nan 8.210 nan 0.000 0.426 609 D N 4.663 124.969 120.400 -0.157 0.000 2.882 609 D HA -0.211 4.429 4.640 -0.000 0.000 0.229 609 D C 0.891 177.168 176.300 -0.040 0.000 1.167 609 D CA 1.754 55.721 54.000 -0.054 0.000 0.759 609 D CB -0.690 40.093 40.800 -0.028 0.000 1.088 609 D HN 1.168 nan 8.370 nan 0.000 0.425 610 G N -1.077 107.689 108.800 -0.057 0.000 2.142 610 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.225 610 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.225 610 G C -0.312 174.563 174.900 -0.041 0.000 1.015 610 G CA 0.306 45.383 45.100 -0.039 0.000 0.716 610 G HN 0.469 nan 8.290 nan 0.000 0.508 611 Q N -0.376 119.388 119.800 -0.060 0.000 2.304 611 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 611 Q C 0.298 176.254 176.000 -0.074 0.000 1.035 611 Q CA -0.785 54.989 55.803 -0.049 0.000 0.781 611 Q CB 1.912 30.635 28.738 -0.026 0.000 1.261 611 Q HN 0.414 nan 8.270 nan 0.000 0.444 612 I N 3.604 124.129 120.570 -0.074 0.000 2.581 612 I HA -0.066 4.103 4.170 -0.000 0.000 0.285 612 I C 1.288 177.364 176.117 -0.068 0.000 1.129 612 I CA 0.442 61.684 61.300 -0.097 0.000 1.397 612 I CB 0.430 38.370 38.000 -0.099 0.000 1.399 612 I HN 0.623 nan 8.210 nan 0.000 0.537 613 I N 7.146 127.667 120.570 -0.082 0.000 2.731 613 I HA 0.070 4.239 4.170 -0.000 0.000 0.260 613 I C 0.022 176.233 176.117 0.156 0.000 1.138 613 I CA 0.514 61.828 61.300 0.023 0.000 1.461 613 I CB 0.260 38.292 38.000 0.054 0.000 1.128 613 I HN 0.549 nan 8.210 nan 0.000 0.438 614 F N -0.298 119.601 119.950 -0.084 0.000 2.746 614 F HA 0.648 5.175 4.527 -0.000 0.000 0.311 614 F C -0.668 175.070 175.800 -0.102 0.000 1.135 614 F CA -0.806 57.142 58.000 -0.087 0.000 0.954 614 F CB 0.324 39.276 39.000 -0.080 0.000 1.276 614 F HN -0.026 nan 8.300 nan 0.000 0.440 615 G N 1.402 110.310 108.800 0.179 0.000 2.911 615 G HA2 0.333 4.293 3.960 -0.000 0.000 0.686 615 G HA3 0.333 4.293 3.960 -0.000 0.000 0.686 615 G C -1.277 173.599 174.900 -0.041 0.000 1.136 615 G CA -0.661 44.464 45.100 0.042 0.000 0.764 615 G HN 1.459 nan 8.290 nan 0.000 0.626 616 V N 1.307 121.205 119.914 -0.026 0.000 2.963 616 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 616 V C 1.206 177.253 176.094 -0.078 0.000 1.077 616 V CA -0.486 61.784 62.300 -0.051 0.000 1.124 616 V CB 1.498 33.301 31.823 -0.033 0.000 0.987 616 V HN 0.918 nan 8.190 nan 0.000 0.487 617 V N 4.449 124.307 119.914 -0.094 0.000 2.347 617 V HA 0.579 4.699 4.120 -0.000 0.000 0.280 617 V C -0.073 175.967 176.094 -0.089 0.000 1.021 617 V CA -0.164 62.075 62.300 -0.101 0.000 0.847 617 V CB 1.093 32.844 31.823 -0.120 0.000 0.990 617 V HN 1.206 nan 8.190 nan 0.000 0.444 618 E N 2.927 123.083 120.200 -0.073 0.000 2.442 618 E HA 0.442 4.792 4.350 -0.000 0.000 0.271 618 E C 0.686 177.256 176.600 -0.050 0.000 1.002 618 E CA -0.948 55.416 56.400 -0.060 0.000 0.864 618 E CB 0.776 30.449 29.700 -0.045 0.000 1.573 618 E HN 0.102 nan 8.360 nan 0.000 0.456 619 K N 0.400 120.777 120.400 -0.038 0.000 2.108 619 K HA -0.361 3.958 4.320 -0.000 0.000 0.219 619 K C 1.374 177.959 176.600 -0.024 0.000 1.054 619 K CA 2.727 58.998 56.287 -0.026 0.000 0.945 619 K CB -0.263 32.228 32.500 -0.013 0.000 0.728 619 K HN 0.465 nan 8.250 nan 0.000 0.462 620 K N -0.920 119.467 120.400 -0.022 0.000 2.281 620 K HA -0.107 4.212 4.320 -0.000 0.000 0.203 620 K C 1.765 178.348 176.600 -0.028 0.000 1.046 620 K CA 1.754 58.030 56.287 -0.018 0.000 0.938 620 K CB 0.046 32.536 32.500 -0.017 0.000 0.737 620 K HN 0.320 nan 8.250 nan 0.000 0.458 621 T N -0.876 113.651 114.554 -0.046 0.000 3.056 621 T HA 0.034 4.384 4.350 -0.000 0.000 0.241 621 T C 1.423 176.082 174.700 -0.068 0.000 1.006 621 T CA 0.139 62.202 62.100 -0.061 0.000 1.115 621 T CB 0.458 69.275 68.868 -0.084 0.000 0.939 621 T HN -0.027 nan 8.240 nan 0.000 0.462 622 V N 1.594 121.463 119.914 -0.075 0.000 3.319 622 V HA 0.522 4.641 4.120 -0.000 0.000 0.317 622 V C 0.921 176.965 176.094 -0.082 0.000 1.411 622 V CA -0.033 62.207 62.300 -0.100 0.000 1.112 622 V CB -0.219 31.535 31.823 -0.115 0.000 1.031 622 V HN 0.478 nan 8.190 nan 0.000 0.448 623 G N 0.145 108.919 108.800 -0.043 0.000 2.531 623 G HA2 0.312 4.272 3.960 -0.000 0.000 0.281 623 G HA3 0.312 4.272 3.960 -0.000 0.000 0.281 623 G C 0.545 175.447 174.900 0.004 0.000 1.382 623 G CA 0.377 45.469 45.100 -0.013 0.000 1.045 623 G HN 0.563 nan 8.290 nan 0.000 0.533 624 S N -0.424 115.289 115.700 0.022 0.000 2.994 624 S HA 0.315 4.785 4.470 -0.000 0.000 0.247 624 S C 0.742 175.354 174.600 0.020 0.000 1.323 624 S CA 0.035 58.250 58.200 0.024 0.000 1.246 624 S CB -0.868 62.343 63.200 0.018 0.000 0.994 624 S HN 0.837 nan 8.310 nan 0.000 0.484 625 S N 0.884 116.602 115.700 0.029 0.000 2.617 625 S HA 0.310 4.780 4.470 -0.000 0.000 0.269 625 S C 1.113 175.769 174.600 0.093 0.000 1.292 625 S CA -0.799 57.428 58.200 0.045 0.000 1.010 625 S CB 0.663 63.879 63.200 0.028 0.000 0.944 625 S HN 0.414 nan 8.310 nan 0.000 0.536 626 N N 1.865 120.632 118.700 0.112 0.000 2.043 626 N HA -0.108 4.632 4.740 -0.000 0.000 0.193 626 N C 1.608 177.231 175.510 0.187 0.000 1.037 626 N CA 1.756 54.924 53.050 0.196 0.000 0.851 626 N CB -0.866 37.699 38.487 0.129 0.000 1.027 626 N HN 0.879 nan 8.380 nan 0.000 0.422 627 G N -0.187 108.652 108.800 0.064 0.000 3.088 627 G HA2 0.175 4.134 3.960 -0.000 0.000 0.212 627 G HA3 0.175 4.134 3.960 -0.000 0.000 0.212 627 G C 0.609 175.519 174.900 0.017 0.000 1.173 627 G CA 0.195 45.293 45.100 -0.004 0.000 0.779 627 G HN 0.426 nan 8.290 nan 0.000 0.540 628 G N 0.317 109.163 108.800 0.075 0.000 2.391 628 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.231 628 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.231 628 G C 1.059 175.976 174.900 0.028 0.000 1.107 628 G CA -0.274 44.858 45.100 0.054 0.000 0.863 628 G HN 0.212 nan 8.290 nan 0.000 0.482 629 L N 2.645 123.854 121.223 -0.024 0.000 2.127 629 L HA -0.113 4.226 4.340 -0.000 0.000 0.211 629 L C 2.475 179.322 176.870 -0.038 0.000 1.089 629 L CA 1.719 56.532 54.840 -0.046 0.000 0.757 629 L CB -0.554 41.452 42.059 -0.087 0.000 0.899 629 L HN 0.716 nan 8.230 nan 0.000 0.434 630 I N -0.843 119.699 120.570 -0.047 0.000 2.193 630 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 630 I C 2.585 178.748 176.117 0.077 0.000 1.084 630 I CA 0.983 62.258 61.300 -0.040 0.000 1.365 630 I CB -0.665 37.288 38.000 -0.079 0.000 1.064 630 I HN 0.313 nan 8.210 nan 0.000 0.410 631 H N 1.063 120.127 119.070 -0.010 0.000 2.426 631 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 631 H C 2.026 177.359 175.328 0.008 0.000 1.107 631 H CA 1.776 57.827 56.048 0.005 0.000 1.298 631 H CB -0.128 29.637 29.762 0.005 0.000 1.377 631 H HN 0.112 nan 8.280 nan 0.000 0.519 632 V N -0.423 119.574 119.914 0.139 0.000 2.273 632 V HA -0.167 3.953 4.120 -0.000 0.000 0.242 632 V C 2.879 179.013 176.094 0.067 0.000 1.035 632 V CA 1.291 63.627 62.300 0.060 0.000 1.013 632 V CB -0.791 31.043 31.823 0.018 0.000 0.652 632 V HN 0.223 nan 8.190 nan 0.000 0.452 633 V N 0.476 120.417 119.914 0.046 0.000 2.546 633 V HA -0.289 3.831 4.120 -0.000 0.000 0.254 633 V C 2.511 178.640 176.094 0.059 0.000 1.076 633 V CA 2.548 64.870 62.300 0.037 0.000 1.087 633 V CB -1.333 30.494 31.823 0.006 0.000 0.674 633 V HN 0.637 nan 8.190 nan 0.000 0.470 634 T N -0.612 113.991 114.554 0.081 0.000 2.732 634 T HA -0.113 4.237 4.350 -0.000 0.000 0.261 634 T C 2.153 176.903 174.700 0.083 0.000 1.040 634 T CA 1.052 63.201 62.100 0.082 0.000 1.145 634 T CB -0.198 68.716 68.868 0.077 0.000 0.866 634 T HN 0.301 nan 8.240 nan 0.000 0.427 635 R N 0.924 121.492 120.500 0.113 0.000 2.070 635 R HA -0.015 4.325 4.340 -0.000 0.000 0.233 635 R C 2.475 178.818 176.300 0.073 0.000 1.137 635 R CA 1.405 57.570 56.100 0.109 0.000 0.945 635 R CB -0.582 29.797 30.300 0.131 0.000 0.845 635 R HN 0.363 nan 8.270 nan 0.000 0.430 636 E N 0.344 120.580 120.200 0.061 0.000 2.150 636 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 636 E C 1.320 177.948 176.600 0.046 0.000 0.985 636 E CA 1.218 57.647 56.400 0.048 0.000 0.814 636 E CB 0.295 30.024 29.700 0.048 0.000 0.752 636 E HN 0.005 nan 8.360 nan 0.000 0.466 637 K N -1.431 118.997 120.400 0.047 0.000 2.425 637 K HA 0.331 4.651 4.320 -0.000 0.000 0.201 637 K C 0.228 176.851 176.600 0.039 0.000 1.128 637 K CA 0.710 57.022 56.287 0.041 0.000 1.000 637 K CB 1.602 34.125 32.500 0.038 0.000 0.961 637 K HN 0.135 nan 8.250 nan 0.000 0.555 638 G N 2.026 110.853 108.800 0.044 0.000 2.484 638 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.685 638 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.685 638 G C -2.520 172.403 174.900 0.039 0.000 1.294 638 G CA -0.514 44.609 45.100 0.038 0.000 0.879 638 G HN -0.208 nan 8.290 nan 0.000 0.646 639 P HA -0.101 nan 4.420 nan 0.000 0.221 639 P C 1.311 178.625 177.300 0.024 0.000 1.150 639 P CA 1.205 64.315 63.100 0.018 0.000 0.800 639 P CB 0.237 31.931 31.700 -0.009 0.000 0.787 640 Q N 0.250 120.062 119.800 0.021 0.000 1.965 640 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 640 Q C 2.502 178.527 176.000 0.041 0.000 0.981 640 Q CA 1.134 56.951 55.803 0.022 0.000 0.834 640 Q CB -1.688 27.060 28.738 0.016 0.000 0.900 640 Q HN 0.137 nan 8.270 nan 0.000 0.426 641 V N 0.967 120.907 119.914 0.042 0.000 2.252 641 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 641 V C 2.610 178.746 176.094 0.071 0.000 1.056 641 V CA 1.952 64.281 62.300 0.049 0.000 1.022 641 V CB -0.886 30.961 31.823 0.040 0.000 0.641 641 V HN 0.533 nan 8.190 nan 0.000 0.445 642 C N 0.260 119.611 119.300 0.085 0.000 2.413 642 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 642 C C 3.046 178.194 174.990 0.263 0.000 1.265 642 C CA 0.857 59.955 59.018 0.132 0.000 1.752 642 C CB -1.319 26.505 27.740 0.139 0.000 1.998 642 C HN 0.600 nan 8.230 nan 0.000 0.489 643 A N -0.135 122.801 122.820 0.194 0.000 1.933 643 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 643 A C 2.271 179.980 177.584 0.209 0.000 1.175 643 A CA 1.909 54.054 52.037 0.179 0.000 0.628 643 A CB -0.695 18.321 19.000 0.026 0.000 0.814 643 A HN 0.748 nan 8.150 nan 0.000 0.444 644 K N -0.678 119.805 120.400 0.139 0.000 2.365 644 K HA -0.015 4.304 4.320 -0.000 0.000 0.199 644 K C 1.697 178.377 176.600 0.133 0.000 1.045 644 K CA 0.762 57.119 56.287 0.116 0.000 0.962 644 K CB -0.196 32.347 32.500 0.071 0.000 0.759 644 K HN 0.372 nan 8.250 nan 0.000 0.469 645 L N 0.381 121.690 121.223 0.144 0.000 2.056 645 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 645 L C 1.496 178.388 176.870 0.036 0.000 1.078 645 L CA 1.639 56.509 54.840 0.049 0.000 0.749 645 L CB -0.495 41.538 42.059 -0.042 0.000 0.901 645 L HN 0.067 nan 8.230 nan 0.000 0.433 646 F N 0.431 120.388 119.950 0.013 0.000 2.095 646 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 646 F C 2.520 178.337 175.800 0.028 0.000 1.104 646 F CA 1.614 59.623 58.000 0.016 0.000 1.232 646 F CB -1.551 37.459 39.000 0.017 0.000 0.987 646 F HN 0.203 nan 8.300 nan 0.000 0.475 647 G N 0.308 109.259 108.800 0.253 0.000 2.586 647 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.218 647 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.218 647 G C 1.697 176.673 174.900 0.126 0.000 1.216 647 G CA 1.352 46.549 45.100 0.162 0.000 0.786 647 G HN 0.286 nan 8.290 nan 0.000 0.583 648 N N 0.774 119.533 118.700 0.099 0.000 2.039 648 N HA -0.082 4.658 4.740 -0.000 0.000 0.193 648 N C 2.371 177.912 175.510 0.052 0.000 1.044 648 N CA 1.282 54.380 53.050 0.079 0.000 0.847 648 N CB -0.440 38.083 38.487 0.059 0.000 1.030 648 N HN 0.343 nan 8.380 nan 0.000 0.422 649 I N 1.942 122.520 120.570 0.013 0.000 2.181 649 I HA -0.359 3.811 4.170 -0.000 0.000 0.247 649 I C 2.488 178.606 176.117 0.002 0.000 1.081 649 I CA 1.433 62.720 61.300 -0.022 0.000 1.340 649 I CB -0.304 37.649 38.000 -0.079 0.000 1.036 649 I HN 0.251 nan 8.210 nan 0.000 0.417 650 Q N 0.676 120.501 119.800 0.041 0.000 1.965 650 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 650 Q C 2.257 178.274 176.000 0.029 0.000 0.981 650 Q CA 1.483 57.315 55.803 0.048 0.000 0.834 650 Q CB -0.253 28.540 28.738 0.091 0.000 0.900 650 Q HN 0.439 nan 8.270 nan 0.000 0.426 651 K N 0.183 120.621 120.400 0.064 0.000 2.144 651 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 651 K C 2.089 178.650 176.600 -0.065 0.000 1.047 651 K CA 1.659 57.973 56.287 0.045 0.000 0.927 651 K CB -0.280 32.402 32.500 0.303 0.000 0.716 651 K HN 0.035 nan 8.250 nan 0.000 0.454 652 V N 0.465 120.387 119.914 0.013 0.000 2.231 652 V HA -0.210 3.910 4.120 -0.000 0.000 0.240 652 V C 2.237 178.371 176.094 0.066 0.000 1.039 652 V CA 1.523 63.831 62.300 0.013 0.000 0.998 652 V CB -0.382 31.443 31.823 0.002 0.000 0.639 652 V HN 0.066 nan 8.190 nan 0.000 0.451 653 V N 0.844 120.777 119.914 0.031 0.000 2.324 653 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 653 V C 2.392 178.547 176.094 0.102 0.000 1.060 653 V CA 2.252 64.586 62.300 0.058 0.000 1.042 653 V CB -0.970 30.843 31.823 -0.017 0.000 0.650 653 V HN 0.556 nan 8.190 nan 0.000 0.450 654 N N -0.385 118.324 118.700 0.015 0.000 2.104 654 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 654 N C 1.699 177.135 175.510 -0.123 0.000 1.024 654 N CA 1.862 54.885 53.050 -0.045 0.000 0.853 654 N CB -0.475 37.967 38.487 -0.076 0.000 1.008 654 N HN 0.578 nan 8.380 nan 0.000 0.424 655 F N -0.028 119.727 119.950 -0.325 0.000 2.075 655 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 655 F C 2.409 178.049 175.800 -0.267 0.000 1.113 655 F CA 1.404 59.121 58.000 -0.471 0.000 1.218 655 F CB -0.637 37.930 39.000 -0.722 0.000 0.984 655 F HN 0.113 nan 8.300 nan 0.000 0.472 656 W N 0.907 122.162 121.300 -0.075 0.000 2.317 656 W HA -0.276 4.384 4.660 -0.000 0.000 0.318 656 W C 2.200 178.613 176.519 -0.177 0.000 1.227 656 W CA 2.186 59.496 57.345 -0.058 0.000 1.269 656 W CB -0.739 28.745 29.460 0.040 0.000 1.155 656 W HN 0.194 nan 8.180 nan 0.000 0.484 657 L N 0.849 122.145 121.223 0.122 0.000 2.079 657 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 657 L C 2.442 179.130 176.870 -0.303 0.000 1.081 657 L CA 2.185 56.994 54.840 -0.051 0.000 0.752 657 L CB -1.538 40.580 42.059 0.097 0.000 0.896 657 L HN 0.251 nan 8.230 nan 0.000 0.433 658 L N -0.826 120.142 121.223 -0.425 0.000 2.051 658 L HA -0.292 4.048 4.340 -0.000 0.000 0.214 658 L C 2.401 178.931 176.870 -0.565 0.000 1.076 658 L CA 2.092 56.605 54.840 -0.546 0.000 0.758 658 L CB -0.958 40.604 42.059 -0.829 0.000 0.890 658 L HN 0.436 nan 8.230 nan 0.000 0.433 659 H N -1.522 117.243 119.070 -0.507 0.000 2.431 659 H HA 0.047 4.603 4.556 -0.000 0.000 0.295 659 H C 2.042 177.104 175.328 -0.443 0.000 1.038 659 H CA 1.239 57.013 56.048 -0.457 0.000 1.360 659 H CB -0.353 29.102 29.762 -0.511 0.000 1.433 659 H HN 0.483 nan 8.280 nan 0.000 0.536 660 N N 0.707 119.083 118.700 -0.540 0.000 2.270 660 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 660 N C 0.603 175.964 175.510 -0.248 0.000 1.016 660 N CA 1.000 53.726 53.050 -0.540 0.000 0.870 660 N CB 0.410 38.222 38.487 -1.125 0.000 0.979 660 N HN 0.437 nan 8.380 nan 0.000 0.431 661 G N -0.975 107.711 108.800 -0.191 0.000 2.880 661 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.617 661 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.617 661 G C -0.761 174.209 174.900 0.117 0.000 1.493 661 G CA -0.030 45.041 45.100 -0.049 0.000 0.916 661 G HN 0.502 nan 8.290 nan 0.000 0.553 662 F N 0.006 119.925 119.950 -0.052 0.000 2.725 662 F HA 0.684 5.211 4.527 -0.000 0.000 0.309 662 F C -0.068 175.723 175.800 -0.014 0.000 1.132 662 F CA 0.587 58.578 58.000 -0.015 0.000 0.957 662 F CB 1.429 40.434 39.000 0.009 0.000 1.286 662 F HN 1.547 nan 8.300 nan 0.000 0.440 663 S N 1.756 116.876 115.700 -0.967 0.000 2.815 663 S HA 0.807 5.277 4.470 -0.000 0.000 0.296 663 S C -1.511 172.721 174.600 -0.615 0.000 1.224 663 S CA 0.203 58.084 58.200 -0.532 0.000 0.938 663 S CB 1.389 64.432 63.200 -0.263 0.000 1.285 663 S HN 1.297 nan 8.310 nan 0.000 0.549 664 T N -0.606 113.778 114.554 -0.283 0.000 3.033 664 T HA 0.594 4.944 4.350 -0.000 0.000 0.362 664 T C -0.819 173.822 174.700 -0.098 0.000 1.723 664 T CA 0.291 62.281 62.100 -0.184 0.000 1.110 664 T CB 0.624 69.430 68.868 -0.103 0.000 1.515 664 T HN 1.607 nan 8.240 nan 0.000 0.484 665 G N 1.943 110.701 108.800 -0.071 0.000 2.623 665 G HA2 0.519 4.479 3.960 -0.000 0.000 0.290 665 G HA3 0.519 4.479 3.960 -0.000 0.000 0.290 665 G C 0.684 175.568 174.900 -0.027 0.000 1.437 665 G CA -0.241 44.832 45.100 -0.045 0.000 0.798 665 G HN 0.876 nan 8.290 nan 0.000 0.488 666 I N 0.340 120.899 120.570 -0.017 0.000 2.290 666 I HA -0.120 4.050 4.170 -0.000 0.000 0.253 666 I C 2.667 178.781 176.117 -0.005 0.000 1.112 666 I CA 1.886 63.183 61.300 -0.005 0.000 1.377 666 I CB -1.231 36.768 38.000 -0.002 0.000 1.060 666 I HN 0.585 nan 8.210 nan 0.000 0.428 667 G N 0.861 109.653 108.800 -0.013 0.000 2.469 667 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 667 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 667 G C 1.310 176.206 174.900 -0.007 0.000 1.150 667 G CA 1.233 46.326 45.100 -0.012 0.000 0.763 667 G HN 0.489 nan 8.290 nan 0.000 0.561 668 D N 0.061 120.454 120.400 -0.012 0.000 2.378 668 D HA -0.042 4.598 4.640 -0.000 0.000 0.227 668 D C 2.357 178.664 176.300 0.012 0.000 1.012 668 D CA 1.407 55.406 54.000 -0.002 0.000 0.905 668 D CB 0.018 40.812 40.800 -0.010 0.000 0.895 668 D HN 0.535 nan 8.370 nan 0.000 0.532 669 T N -1.642 112.919 114.554 0.013 0.000 3.023 669 T HA 0.128 4.478 4.350 -0.000 0.000 0.253 669 T C 1.104 175.817 174.700 0.022 0.000 1.038 669 T CA -0.378 61.735 62.100 0.022 0.000 0.962 669 T CB 0.320 69.205 68.868 0.029 0.000 1.018 669 T HN -0.015 nan 8.240 nan 0.000 0.521 670 I N 1.402 121.982 120.570 0.017 0.000 2.365 670 I HA 0.745 4.915 4.170 -0.000 0.000 0.291 670 I C 0.213 176.341 176.117 0.018 0.000 1.004 670 I CA -1.515 59.795 61.300 0.018 0.000 1.311 670 I CB 0.401 38.410 38.000 0.014 0.000 1.401 670 I HN 0.052 nan 8.210 nan 0.000 0.491 671 A N 4.414 127.246 122.820 0.019 0.000 2.327 671 A HA 0.282 4.602 4.320 -0.000 0.000 0.283 671 A C 0.066 177.662 177.584 0.021 0.000 1.127 671 A CA -0.478 51.572 52.037 0.022 0.000 0.810 671 A CB 0.325 19.339 19.000 0.023 0.000 1.066 671 A HN 0.869 nan 8.150 nan 0.000 0.492 672 D N 1.859 122.272 120.400 0.022 0.000 2.601 672 D HA 0.177 4.817 4.640 -0.000 0.000 0.229 672 D C 1.532 177.844 176.300 0.020 0.000 1.140 672 D CA 1.223 55.236 54.000 0.021 0.000 0.862 672 D CB 0.611 41.424 40.800 0.023 0.000 1.192 672 D HN 0.546 nan 8.370 nan 0.000 0.480 673 G N 3.694 112.504 108.800 0.017 0.000 2.719 673 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 673 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 673 G C -0.582 174.329 174.900 0.018 0.000 1.234 673 G CA 1.170 46.280 45.100 0.017 0.000 0.788 673 G HN 0.709 nan 8.290 nan 0.000 0.619 674 P HA -0.040 nan 4.420 nan 0.000 0.216 674 P C 1.721 179.034 177.300 0.022 0.000 1.153 674 P CA 1.796 64.907 63.100 0.019 0.000 0.844 674 P CB -0.403 31.308 31.700 0.018 0.000 0.787 675 T N -0.469 114.099 114.554 0.024 0.000 2.969 675 T HA -0.089 4.260 4.350 -0.000 0.000 0.271 675 T C 1.785 176.501 174.700 0.028 0.000 1.127 675 T CA 1.034 63.150 62.100 0.028 0.000 1.102 675 T CB -0.372 68.514 68.868 0.030 0.000 0.855 675 T HN -0.008 nan 8.240 nan 0.000 0.536 676 M N 0.350 119.965 119.600 0.024 0.000 2.155 676 M HA 0.121 4.601 4.480 -0.000 0.000 0.258 676 M C 2.459 178.774 176.300 0.025 0.000 1.092 676 M CA 1.047 56.361 55.300 0.024 0.000 1.153 676 M CB -0.992 31.620 32.600 0.020 0.000 1.316 676 M HN 0.089 nan 8.290 nan 0.000 0.431 677 R N 1.225 121.739 120.500 0.023 0.000 2.133 677 R HA -0.253 4.087 4.340 -0.000 0.000 0.245 677 R C 1.791 178.106 176.300 0.026 0.000 1.137 677 R CA 2.444 58.557 56.100 0.023 0.000 0.947 677 R CB -0.809 29.503 30.300 0.020 0.000 0.865 677 R HN 0.546 nan 8.270 nan 0.000 0.437 678 E N -0.037 120.178 120.200 0.025 0.000 2.171 678 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 678 E C 2.119 178.738 176.600 0.032 0.000 0.997 678 E CA 1.753 58.169 56.400 0.027 0.000 0.810 678 E CB -0.133 29.583 29.700 0.027 0.000 0.738 678 E HN 0.561 nan 8.360 nan 0.000 0.467 679 I N 0.202 120.793 120.570 0.034 0.000 2.277 679 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 679 I C 2.358 178.502 176.117 0.045 0.000 1.094 679 I CA 1.207 62.532 61.300 0.041 0.000 1.393 679 I CB -0.372 37.651 38.000 0.038 0.000 1.078 679 I HN 0.101 nan 8.210 nan 0.000 0.417 680 T N 1.164 115.742 114.554 0.040 0.000 2.737 680 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 680 T C 1.624 176.351 174.700 0.045 0.000 1.040 680 T CA 1.875 64.002 62.100 0.045 0.000 1.142 680 T CB -0.446 68.445 68.868 0.038 0.000 0.861 680 T HN 0.593 nan 8.240 nan 0.000 0.456 681 E N 0.972 121.193 120.200 0.035 0.000 2.112 681 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 681 E C 2.052 178.667 176.600 0.025 0.000 0.979 681 E CA 1.201 57.618 56.400 0.027 0.000 0.814 681 E CB -0.839 28.873 29.700 0.020 0.000 0.762 681 E HN 0.342 nan 8.360 nan 0.000 0.460 682 T N 1.795 116.368 114.554 0.031 0.000 2.849 682 T HA -0.096 4.254 4.350 -0.000 0.000 0.270 682 T C 1.925 176.646 174.700 0.035 0.000 1.066 682 T CA 1.098 63.215 62.100 0.029 0.000 1.130 682 T CB -0.176 68.718 68.868 0.042 0.000 0.864 682 T HN 0.163 nan 8.240 nan 0.000 0.481 683 I N 1.161 121.768 120.570 0.061 0.000 2.141 683 I HA -0.096 4.074 4.170 -0.000 0.000 0.236 683 I C 2.996 179.141 176.117 0.047 0.000 1.071 683 I CA 0.953 62.309 61.300 0.094 0.000 1.345 683 I CB -0.704 37.387 38.000 0.152 0.000 1.066 683 I HN 0.170 nan 8.210 nan 0.000 0.406 684 A N 1.781 124.629 122.820 0.047 0.000 1.881 684 A HA -0.346 3.974 4.320 -0.000 0.000 0.219 684 A C 2.148 179.727 177.584 -0.007 0.000 1.215 684 A CA 2.812 54.865 52.037 0.028 0.000 0.648 684 A CB -1.192 17.825 19.000 0.029 0.000 0.832 684 A HN 0.672 nan 8.150 nan 0.000 0.455 685 E N 0.105 120.294 120.200 -0.019 0.000 2.097 685 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 685 E C 1.869 178.408 176.600 -0.102 0.000 1.000 685 E CA 1.776 58.145 56.400 -0.052 0.000 0.804 685 E CB -0.641 29.030 29.700 -0.049 0.000 0.740 685 E HN 0.541 nan 8.360 nan 0.000 0.454 686 A N 0.862 123.617 122.820 -0.109 0.000 2.067 686 A HA -0.100 4.219 4.320 -0.000 0.000 0.219 686 A C 2.075 179.566 177.584 -0.155 0.000 1.158 686 A CA 1.328 53.258 52.037 -0.179 0.000 0.661 686 A CB -0.358 18.562 19.000 -0.133 0.000 0.801 686 A HN 0.169 nan 8.150 nan 0.000 0.452 687 K N -0.476 119.868 120.400 -0.093 0.000 2.097 687 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 687 K C 2.145 178.726 176.600 -0.032 0.000 1.050 687 K CA 1.636 57.888 56.287 -0.058 0.000 0.938 687 K CB -0.053 32.446 32.500 -0.001 0.000 0.718 687 K HN 0.358 nan 8.250 nan 0.000 0.442 688 K N 1.609 121.984 120.400 -0.043 0.000 2.007 688 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 688 K C 1.770 178.336 176.600 -0.056 0.000 1.047 688 K CA 1.480 57.749 56.287 -0.030 0.000 0.937 688 K CB -0.046 32.434 32.500 -0.032 0.000 0.718 688 K HN -0.143 nan 8.250 nan 0.000 0.438 689 K N -0.254 120.053 120.400 -0.155 0.000 2.293 689 K HA -0.153 4.166 4.320 -0.000 0.000 0.204 689 K C 1.717 178.234 176.600 -0.138 0.000 1.045 689 K CA 1.348 57.457 56.287 -0.296 0.000 0.933 689 K CB -0.052 32.050 32.500 -0.663 0.000 0.736 689 K HN 0.114 nan 8.250 nan 0.000 0.463 690 V N 0.300 120.216 119.914 0.003 0.000 2.672 690 V HA -0.110 4.010 4.120 -0.000 0.000 0.242 690 V C 1.858 178.055 176.094 0.172 0.000 1.059 690 V CA 0.907 63.323 62.300 0.194 0.000 1.081 690 V CB -0.025 31.878 31.823 0.134 0.000 0.752 690 V HN 0.388 nan 8.190 nan 0.000 0.472 691 L N 0.924 122.208 121.223 0.101 0.000 1.997 691 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 691 L C 2.083 179.016 176.870 0.104 0.000 1.074 691 L CA 2.786 57.686 54.840 0.100 0.000 0.763 691 L CB -1.272 40.824 42.059 0.062 0.000 0.890 691 L HN 0.368 nan 8.230 nan 0.000 0.434 692 D N -0.054 120.397 120.400 0.084 0.000 2.088 692 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 692 D C 2.284 178.654 176.300 0.116 0.000 0.992 692 D CA 2.074 56.121 54.000 0.077 0.000 0.831 692 D CB -0.717 40.116 40.800 0.055 0.000 0.973 692 D HN 0.346 nan 8.370 nan 0.000 0.447 693 V N 1.413 121.438 119.914 0.185 0.000 2.636 693 V HA -0.252 3.868 4.120 -0.000 0.000 0.258 693 V C 2.374 178.624 176.094 0.260 0.000 1.092 693 V CA 1.935 64.386 62.300 0.251 0.000 1.110 693 V CB -0.978 31.067 31.823 0.370 0.000 0.685 693 V HN 0.243 nan 8.190 nan 0.000 0.481 694 T N -0.769 113.926 114.554 0.235 0.000 2.809 694 T HA -0.108 4.242 4.350 -0.000 0.000 0.260 694 T C 1.945 176.614 174.700 -0.051 0.000 1.039 694 T CA 1.136 63.306 62.100 0.115 0.000 1.141 694 T CB -0.112 68.864 68.868 0.180 0.000 0.869 694 T HN 0.459 nan 8.240 nan 0.000 0.437 695 K N 1.014 121.416 120.400 0.004 0.000 2.057 695 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 695 K C 2.367 178.946 176.600 -0.035 0.000 1.050 695 K CA 0.945 57.218 56.287 -0.023 0.000 0.935 695 K CB -0.074 32.429 32.500 0.005 0.000 0.715 695 K HN 0.385 nan 8.250 nan 0.000 0.439 696 E N 0.443 120.641 120.200 -0.004 0.000 2.333 696 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 696 E C 1.279 177.855 176.600 -0.042 0.000 1.007 696 E CA 0.838 57.236 56.400 -0.002 0.000 0.845 696 E CB 0.101 29.825 29.700 0.040 0.000 0.766 696 E HN 0.324 nan 8.360 nan 0.000 0.507 697 A N -0.053 122.703 122.820 -0.107 0.000 2.220 697 A HA 0.070 4.390 4.320 -0.000 0.000 0.211 697 A C 1.673 179.121 177.584 -0.226 0.000 1.176 697 A CA -0.058 51.854 52.037 -0.208 0.000 0.834 697 A CB 0.226 18.956 19.000 -0.450 0.000 0.868 697 A HN 0.202 nan 8.150 nan 0.000 0.488 698 Q N -0.896 118.798 119.800 -0.178 0.000 2.408 698 Q HA 0.250 4.590 4.340 -0.000 0.000 0.205 698 Q C 1.546 177.489 176.000 -0.095 0.000 0.919 698 Q CA 0.594 56.306 55.803 -0.153 0.000 0.932 698 Q CB 0.201 28.859 28.738 -0.133 0.000 1.058 698 Q HN 0.585 nan 8.270 nan 0.000 0.517 699 A N 0.852 123.628 122.820 -0.073 0.000 2.348 699 A HA 0.088 4.408 4.320 -0.000 0.000 0.224 699 A C 0.522 178.079 177.584 -0.044 0.000 1.227 699 A CA 0.168 52.176 52.037 -0.047 0.000 0.885 699 A CB 0.012 18.993 19.000 -0.031 0.000 0.933 699 A HN 0.435 nan 8.150 nan 0.000 0.506 700 N N -1.230 117.435 118.700 -0.058 0.000 2.815 700 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 700 N C -0.149 175.343 175.510 -0.030 0.000 1.114 700 N CA 0.925 53.946 53.050 -0.047 0.000 0.717 700 N CB -1.931 36.534 38.487 -0.037 0.000 1.074 700 N HN 0.443 nan 8.380 nan 0.000 0.555 701 L N -0.450 120.757 121.223 -0.027 0.000 3.034 701 L HA 0.371 4.710 4.340 -0.000 0.000 0.245 701 L C 0.010 176.880 176.870 0.000 0.000 1.295 701 L CA -0.179 54.655 54.840 -0.009 0.000 1.068 701 L CB -0.086 41.970 42.059 -0.004 0.000 1.426 701 L HN 0.101 nan 8.230 nan 0.000 0.531 702 L N -0.090 121.131 121.223 -0.004 0.000 2.346 702 L HA 0.453 4.793 4.340 -0.000 0.000 0.276 702 L C 0.038 176.918 176.870 0.016 0.000 1.006 702 L CA -0.338 54.510 54.840 0.013 0.000 0.817 702 L CB 2.251 44.317 42.059 0.012 0.000 1.272 702 L HN -0.034 nan 8.230 nan 0.000 0.421 703 T N 2.548 117.118 114.554 0.027 0.000 2.875 703 T HA 0.316 4.666 4.350 -0.000 0.000 0.307 703 T C 0.524 175.244 174.700 0.035 0.000 1.013 703 T CA -0.434 61.683 62.100 0.028 0.000 0.970 703 T CB 0.709 69.594 68.868 0.030 0.000 0.986 703 T HN 0.653 nan 8.240 nan 0.000 0.536 704 A N 4.942 127.781 122.820 0.031 0.000 2.540 704 A HA 0.075 4.395 4.320 -0.000 0.000 0.264 704 A C 0.640 178.251 177.584 0.045 0.000 1.080 704 A CA 0.114 52.170 52.037 0.033 0.000 0.776 704 A CB -0.235 18.779 19.000 0.023 0.000 1.011 704 A HN 0.765 nan 8.150 nan 0.000 0.514 705 K N 2.924 123.352 120.400 0.046 0.000 2.436 705 K HA 0.006 4.326 4.320 -0.000 0.000 0.282 705 K C 0.205 176.852 176.600 0.078 0.000 1.044 705 K CA -0.113 56.212 56.287 0.063 0.000 1.028 705 K CB 0.175 32.703 32.500 0.047 0.000 0.919 705 K HN 0.828 nan 8.250 nan 0.000 0.474 706 H N 1.564 120.640 119.070 0.009 0.000 3.203 706 H HA -0.166 4.390 4.556 -0.000 0.000 0.288 706 H C 1.366 176.699 175.328 0.007 0.000 0.908 706 H CA 2.084 58.136 56.048 0.006 0.000 1.389 706 H CB -0.084 29.680 29.762 0.004 0.000 1.294 706 H HN 0.875 nan 8.280 nan 0.000 0.559 707 G N 3.282 111.791 108.800 -0.484 0.000 2.184 707 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 707 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 707 G C 0.204 175.020 174.900 -0.141 0.000 0.975 707 G CA 0.472 45.365 45.100 -0.344 0.000 0.642 707 G HN 0.669 nan 8.290 nan 0.000 0.536 708 M N 0.300 119.851 119.600 -0.082 0.000 2.644 708 M HA 0.487 4.967 4.480 -0.000 0.000 0.304 708 M C 0.619 176.909 176.300 -0.016 0.000 1.215 708 M CA -0.666 54.613 55.300 -0.035 0.000 0.871 708 M CB 2.042 34.634 32.600 -0.013 0.000 1.740 708 M HN 0.067 nan 8.290 nan 0.000 0.464 709 T N 0.791 115.344 114.554 -0.002 0.000 2.729 709 T HA 0.220 4.570 4.350 -0.000 0.000 0.298 709 T C 1.165 175.881 174.700 0.027 0.000 1.013 709 T CA -0.491 61.616 62.100 0.010 0.000 0.957 709 T CB 0.449 69.329 68.868 0.019 0.000 1.130 709 T HN 0.416 nan 8.240 nan 0.000 0.526 710 L N 0.126 121.366 121.223 0.027 0.000 2.131 710 L HA 0.117 4.457 4.340 -0.000 0.000 0.206 710 L C 2.671 179.591 176.870 0.082 0.000 1.087 710 L CA 1.339 56.199 54.840 0.033 0.000 0.767 710 L CB -0.934 41.122 42.059 -0.005 0.000 0.917 710 L HN 0.475 nan 8.230 nan 0.000 0.441 711 R N 0.360 120.908 120.500 0.079 0.000 2.070 711 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 711 R C 2.074 178.483 176.300 0.182 0.000 1.137 711 R CA 1.447 57.642 56.100 0.159 0.000 0.945 711 R CB -0.711 29.659 30.300 0.117 0.000 0.845 711 R HN 0.480 nan 8.270 nan 0.000 0.430 712 E N 1.256 121.510 120.200 0.089 0.000 2.021 712 E HA -0.160 4.190 4.350 -0.000 0.000 0.200 712 E C 2.167 178.793 176.600 0.043 0.000 1.015 712 E CA 1.609 58.036 56.400 0.045 0.000 0.824 712 E CB -0.217 29.491 29.700 0.014 0.000 0.762 712 E HN 0.188 nan 8.360 nan 0.000 0.454 713 S N 0.561 116.292 115.700 0.052 0.000 2.440 713 S HA -0.162 4.308 4.470 -0.000 0.000 0.240 713 S C 1.432 176.080 174.600 0.080 0.000 1.014 713 S CA 0.855 59.081 58.200 0.043 0.000 0.980 713 S CB -0.310 62.918 63.200 0.047 0.000 0.775 713 S HN 0.262 nan 8.310 nan 0.000 0.499 714 F N 2.711 122.640 119.950 -0.035 0.000 2.053 714 F HA -0.026 4.501 4.527 -0.000 0.000 0.292 714 F C 2.245 178.015 175.800 -0.050 0.000 1.125 714 F CA 1.365 59.344 58.000 -0.034 0.000 1.193 714 F CB -0.721 38.273 39.000 -0.010 0.000 0.996 714 F HN 0.037 nan 8.300 nan 0.000 0.470 715 E N 0.468 120.445 120.200 -0.370 0.000 2.038 715 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 715 E C 2.087 178.473 176.600 -0.358 0.000 1.000 715 E CA 1.501 57.603 56.400 -0.497 0.000 0.803 715 E CB -1.041 28.520 29.700 -0.233 0.000 0.750 715 E HN 0.542 nan 8.360 nan 0.000 0.448 716 D N 1.103 121.374 120.400 -0.216 0.000 2.192 716 D HA -0.221 4.419 4.640 -0.000 0.000 0.189 716 D C 1.413 177.544 176.300 -0.282 0.000 1.007 716 D CA 1.393 55.281 54.000 -0.186 0.000 0.859 716 D CB -0.070 40.661 40.800 -0.114 0.000 0.936 716 D HN 0.104 nan 8.370 nan 0.000 0.447 717 N N 0.117 118.609 118.700 -0.347 0.000 2.171 717 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 717 N C 2.182 177.190 175.510 -0.837 0.000 1.021 717 N CA 0.676 53.378 53.050 -0.581 0.000 0.854 717 N CB -0.574 37.645 38.487 -0.447 0.000 0.994 717 N HN 0.186 nan 8.380 nan 0.000 0.426 718 V N 1.615 121.170 119.914 -0.598 0.000 2.214 718 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 718 V C 2.588 178.501 176.094 -0.302 0.000 1.051 718 V CA 1.566 63.596 62.300 -0.450 0.000 1.003 718 V CB -0.854 30.619 31.823 -0.583 0.000 0.635 718 V HN 0.039 nan 8.190 nan 0.000 0.447 719 V N 0.219 119.969 119.914 -0.274 0.000 2.324 719 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 719 V C 2.548 178.573 176.094 -0.116 0.000 1.060 719 V CA 2.509 64.713 62.300 -0.161 0.000 1.042 719 V CB -0.960 30.782 31.823 -0.136 0.000 0.650 719 V HN 0.527 nan 8.190 nan 0.000 0.450 720 R N -0.925 119.463 120.500 -0.187 0.000 2.293 720 R HA -0.128 4.212 4.340 -0.000 0.000 0.219 720 R C 2.128 178.451 176.300 0.038 0.000 1.091 720 R CA 1.366 57.400 56.100 -0.110 0.000 1.004 720 R CB -0.213 29.981 30.300 -0.177 0.000 0.865 720 R HN 0.577 nan 8.270 nan 0.000 0.469 721 F N -0.285 119.614 119.950 -0.085 0.000 2.188 721 F HA -0.103 4.424 4.527 -0.000 0.000 0.289 721 F C 1.832 177.559 175.800 -0.123 0.000 1.082 721 F CA 0.038 57.983 58.000 -0.092 0.000 1.282 721 F CB 0.015 38.949 39.000 -0.110 0.000 1.060 721 F HN -0.024 nan 8.300 nan 0.000 0.493 722 L N 0.145 121.370 121.223 0.003 0.000 2.093 722 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 722 L C 1.858 178.759 176.870 0.052 0.000 1.085 722 L CA 1.252 55.969 54.840 -0.204 0.000 0.755 722 L CB -1.051 40.724 42.059 -0.473 0.000 0.904 722 L HN 0.070 nan 8.230 nan 0.000 0.435 723 N N -0.127 118.624 118.700 0.085 0.000 2.092 723 N HA -0.195 4.545 4.740 -0.000 0.000 0.189 723 N C 1.845 177.428 175.510 0.122 0.000 1.040 723 N CA 1.289 54.412 53.050 0.122 0.000 0.845 723 N CB -0.340 38.196 38.487 0.081 0.000 1.017 723 N HN 0.464 nan 8.380 nan 0.000 0.426 724 E N 0.937 121.202 120.200 0.108 0.000 2.147 724 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 724 E C 1.654 178.318 176.600 0.106 0.000 1.005 724 E CA 1.396 57.862 56.400 0.110 0.000 0.810 724 E CB -0.020 29.762 29.700 0.136 0.000 0.736 724 E HN 0.322 nan 8.360 nan 0.000 0.460 725 A N 1.887 124.767 122.820 0.100 0.000 1.825 725 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 725 A C 2.278 179.943 177.584 0.134 0.000 1.206 725 A CA 1.664 53.755 52.037 0.089 0.000 0.609 725 A CB -0.870 18.159 19.000 0.048 0.000 0.851 725 A HN 0.340 nan 8.150 nan 0.000 0.445 726 R N -0.102 120.513 120.500 0.191 0.000 2.140 726 R HA -0.283 4.056 4.340 -0.000 0.000 0.250 726 R C 1.497 177.885 176.300 0.148 0.000 1.150 726 R CA 2.526 58.735 56.100 0.181 0.000 0.966 726 R CB -0.757 29.662 30.300 0.198 0.000 0.869 726 R HN 0.527 nan 8.270 nan 0.000 0.445 727 D N -0.156 120.353 120.400 0.182 0.000 2.144 727 D HA -0.155 4.484 4.640 -0.000 0.000 0.199 727 D C 1.821 178.289 176.300 0.279 0.000 0.984 727 D CA 1.439 55.608 54.000 0.282 0.000 0.834 727 D CB -0.089 40.852 40.800 0.235 0.000 0.955 727 D HN 0.334 nan 8.370 nan 0.000 0.465 728 K N 0.386 120.887 120.400 0.169 0.000 2.031 728 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 728 K C 2.053 178.732 176.600 0.133 0.000 1.049 728 K CA 1.063 57.429 56.287 0.132 0.000 0.939 728 K CB -0.106 32.445 32.500 0.085 0.000 0.717 728 K HN 0.044 nan 8.250 nan 0.000 0.438 729 A N 0.819 123.707 122.820 0.114 0.000 1.958 729 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 729 A C 2.233 179.867 177.584 0.084 0.000 1.178 729 A CA 2.184 54.273 52.037 0.086 0.000 0.642 729 A CB -1.338 17.709 19.000 0.077 0.000 0.816 729 A HN 0.581 nan 8.150 nan 0.000 0.453 730 G N -0.918 107.949 108.800 0.112 0.000 2.505 730 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 730 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 730 G C 1.631 176.683 174.900 0.253 0.000 1.237 730 G CA 0.727 45.874 45.100 0.079 0.000 0.802 730 G HN 0.519 nan 8.290 nan 0.000 0.549 731 R N -0.121 120.660 120.500 0.468 0.000 2.185 731 R HA -0.069 4.271 4.340 -0.000 0.000 0.247 731 R C 2.596 179.005 176.300 0.182 0.000 1.159 731 R CA 0.893 57.202 56.100 0.348 0.000 0.988 731 R CB -0.436 29.957 30.300 0.156 0.000 0.871 731 R HN 0.351 nan 8.270 nan 0.000 0.458 732 L N -0.448 120.858 121.223 0.138 0.000 1.961 732 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 732 L C 2.658 179.578 176.870 0.083 0.000 1.072 732 L CA 1.586 56.480 54.840 0.090 0.000 0.749 732 L CB -0.763 41.339 42.059 0.072 0.000 0.889 732 L HN 0.270 nan 8.230 nan 0.000 0.432 733 A N -0.237 122.629 122.820 0.078 0.000 1.933 733 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 733 A C 2.217 179.847 177.584 0.076 0.000 1.175 733 A CA 1.829 53.902 52.037 0.060 0.000 0.628 733 A CB -0.605 18.417 19.000 0.037 0.000 0.814 733 A HN 0.535 nan 8.150 nan 0.000 0.444 734 E N -0.232 120.038 120.200 0.117 0.000 2.160 734 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 734 E C 1.521 178.187 176.600 0.110 0.000 0.991 734 E CA 1.606 58.092 56.400 0.143 0.000 0.810 734 E CB -0.084 29.778 29.700 0.271 0.000 0.742 734 E HN 0.348 nan 8.360 nan 0.000 0.466 735 V N 1.473 121.445 119.914 0.096 0.000 3.052 735 V HA -0.102 4.018 4.120 -0.000 0.000 0.254 735 V C 2.143 178.272 176.094 0.058 0.000 1.100 735 V CA 1.305 63.647 62.300 0.071 0.000 1.112 735 V CB -0.414 31.446 31.823 0.061 0.000 0.738 735 V HN 0.404 nan 8.190 nan 0.000 0.469 736 N N 0.540 119.274 118.700 0.057 0.000 2.494 736 N HA -0.014 4.726 4.740 -0.000 0.000 0.182 736 N C 0.533 176.070 175.510 0.044 0.000 1.076 736 N CA 0.235 53.312 53.050 0.046 0.000 0.908 736 N CB 0.140 38.652 38.487 0.042 0.000 0.967 736 N HN 0.353 nan 8.380 nan 0.000 0.449 737 L N 3.931 125.185 121.223 0.051 0.000 2.325 737 L HA 0.118 4.458 4.340 -0.000 0.000 0.284 737 L C 0.862 177.762 176.870 0.050 0.000 1.089 737 L CA -0.336 54.533 54.840 0.049 0.000 0.836 737 L CB 0.778 42.870 42.059 0.056 0.000 1.184 737 L HN 0.132 nan 8.230 nan 0.000 0.444 738 K N 2.152 122.578 120.400 0.044 0.000 2.188 738 K HA 0.028 4.347 4.320 -0.000 0.000 0.246 738 K C 0.019 176.651 176.600 0.053 0.000 1.026 738 K CA -0.460 55.854 56.287 0.045 0.000 0.871 738 K CB 0.834 33.357 32.500 0.039 0.000 1.042 738 K HN 0.337 nan 8.250 nan 0.000 0.509 739 D N 0.315 120.748 120.400 0.055 0.000 2.312 739 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 739 D C 1.634 177.979 176.300 0.075 0.000 0.964 739 D CA 0.733 54.773 54.000 0.066 0.000 0.877 739 D CB -0.301 40.537 40.800 0.063 0.000 0.924 739 D HN 0.496 nan 8.370 nan 0.000 0.515 740 L N -0.727 120.534 121.223 0.064 0.000 2.395 740 L HA 0.133 4.473 4.340 -0.000 0.000 0.218 740 L C 0.492 177.395 176.870 0.055 0.000 1.130 740 L CA 0.126 55.004 54.840 0.063 0.000 0.826 740 L CB -1.408 40.677 42.059 0.045 0.000 0.941 740 L HN -0.268 nan 8.230 nan 0.000 0.451 741 N N 1.258 119.990 118.700 0.054 0.000 2.411 741 N HA -0.064 4.676 4.740 -0.000 0.000 0.261 741 N C 0.994 176.545 175.510 0.069 0.000 1.248 741 N CA 0.221 53.298 53.050 0.045 0.000 0.885 741 N CB 0.291 38.808 38.487 0.049 0.000 1.062 741 N HN 0.222 nan 8.380 nan 0.000 0.471 742 N N 2.824 121.541 118.700 0.028 0.000 2.058 742 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 742 N C 1.386 176.994 175.510 0.163 0.000 1.037 742 N CA 0.981 54.062 53.050 0.051 0.000 0.848 742 N CB -0.341 38.019 38.487 -0.212 0.000 1.021 742 N HN 0.325 nan 8.380 nan 0.000 0.422 743 V N 1.985 121.954 119.914 0.092 0.000 2.380 743 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 743 V C 2.513 178.674 176.094 0.112 0.000 1.063 743 V CA 1.544 63.905 62.300 0.102 0.000 1.055 743 V CB -0.417 31.443 31.823 0.062 0.000 0.657 743 V HN 0.360 nan 8.190 nan 0.000 0.455 744 K N -0.644 119.818 120.400 0.104 0.000 2.062 744 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 744 K C 2.257 178.924 176.600 0.112 0.000 1.051 744 K CA 1.343 57.689 56.287 0.099 0.000 0.941 744 K CB -0.102 32.450 32.500 0.087 0.000 0.719 744 K HN 0.475 nan 8.250 nan 0.000 0.440 745 Q N 0.038 119.928 119.800 0.149 0.000 2.152 745 Q HA -0.171 4.168 4.340 -0.000 0.000 0.206 745 Q C 2.078 178.145 176.000 0.111 0.000 0.985 745 Q CA 1.894 57.794 55.803 0.161 0.000 0.863 745 Q CB 0.001 28.915 28.738 0.293 0.000 0.904 745 Q HN 0.397 nan 8.270 nan 0.000 0.422 746 M N -0.827 118.860 119.600 0.145 0.000 2.200 746 M HA -0.140 4.340 4.480 -0.000 0.000 0.265 746 M C 2.104 178.434 176.300 0.050 0.000 1.066 746 M CA 0.910 56.254 55.300 0.073 0.000 1.127 746 M CB 0.104 32.779 32.600 0.125 0.000 1.379 746 M HN 0.076 nan 8.290 nan 0.000 0.420 747 V N 0.323 120.279 119.914 0.070 0.000 2.427 747 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 747 V C 2.300 178.424 176.094 0.048 0.000 1.051 747 V CA 1.583 63.920 62.300 0.063 0.000 1.048 747 V CB -0.653 31.218 31.823 0.081 0.000 0.666 747 V HN 0.487 nan 8.190 nan 0.000 0.456 748 M N 0.169 119.798 119.600 0.048 0.000 2.059 748 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 748 M C 2.487 178.795 176.300 0.012 0.000 1.072 748 M CA 2.352 57.672 55.300 0.034 0.000 1.117 748 M CB -0.639 31.985 32.600 0.040 0.000 1.320 748 M HN 0.388 nan 8.290 nan 0.000 0.408 749 A N -0.347 122.471 122.820 -0.004 0.000 1.908 749 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 749 A C 1.833 179.405 177.584 -0.019 0.000 1.181 749 A CA 1.929 53.948 52.037 -0.029 0.000 0.627 749 A CB -1.131 17.831 19.000 -0.064 0.000 0.818 749 A HN 0.774 nan 8.150 nan 0.000 0.445 750 G N -1.769 107.027 108.800 -0.006 0.000 2.135 750 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.183 750 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.183 750 G C 0.926 175.824 174.900 -0.003 0.000 1.004 750 G CA 1.077 46.178 45.100 0.003 0.000 0.677 750 G HN 1.505 nan 8.290 nan 0.000 0.512 751 S N -1.502 114.190 115.700 -0.014 0.000 2.470 751 S HA 0.483 4.953 4.470 -0.000 0.000 0.225 751 S C 0.843 175.443 174.600 -0.001 0.000 1.006 751 S CA 1.294 59.482 58.200 -0.019 0.000 0.934 751 S CB 0.647 63.816 63.200 -0.052 0.000 0.778 751 S HN 0.405 nan 8.310 nan 0.000 0.517 752 K N -0.219 120.189 120.400 0.014 0.000 2.639 752 K HA 0.501 4.821 4.320 -0.000 0.000 0.279 752 K C -0.060 176.564 176.600 0.040 0.000 0.976 752 K CA 0.394 56.697 56.287 0.026 0.000 0.861 752 K CB 1.083 33.602 32.500 0.032 0.000 1.436 752 K HN 0.547 nan 8.250 nan 0.000 0.400 753 G N 1.041 109.864 108.800 0.039 0.000 2.880 753 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.617 753 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.617 753 G C -0.465 174.470 174.900 0.058 0.000 1.493 753 G CA 0.203 45.331 45.100 0.046 0.000 0.916 753 G HN 1.442 nan 8.290 nan 0.000 0.553 754 S N -1.080 114.661 115.700 0.068 0.000 2.757 754 S HA 0.702 5.172 4.470 -0.000 0.000 0.285 754 S C 0.690 175.369 174.600 0.132 0.000 1.196 754 S CA 0.357 58.620 58.200 0.104 0.000 0.856 754 S CB 0.991 64.256 63.200 0.108 0.000 1.212 754 S HN 1.991 nan 8.310 nan 0.000 0.516 755 F N 1.680 121.651 119.950 0.034 0.000 2.025 755 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 755 F C 2.049 177.872 175.800 0.038 0.000 1.171 755 F CA 2.066 60.087 58.000 0.034 0.000 1.204 755 F CB -0.645 38.373 39.000 0.030 0.000 0.948 755 F HN 0.498 nan 8.300 nan 0.000 0.512 756 I N 1.278 121.654 120.570 -0.324 0.000 2.367 756 I HA -0.380 3.789 4.170 -0.000 0.000 0.256 756 I C 2.086 178.056 176.117 -0.246 0.000 1.132 756 I CA 1.495 62.537 61.300 -0.430 0.000 1.397 756 I CB -1.541 36.403 38.000 -0.093 0.000 1.074 756 I HN 0.418 nan 8.210 nan 0.000 0.435 757 N N 1.096 119.730 118.700 -0.111 0.000 2.039 757 N HA -0.141 4.599 4.740 -0.000 0.000 0.193 757 N C 1.903 177.380 175.510 -0.055 0.000 1.044 757 N CA 1.481 54.511 53.050 -0.032 0.000 0.847 757 N CB -0.302 38.192 38.487 0.012 0.000 1.030 757 N HN 0.402 nan 8.380 nan 0.000 0.422 758 I N 1.031 121.551 120.570 -0.084 0.000 2.454 758 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 758 I C 2.393 178.431 176.117 -0.131 0.000 1.156 758 I CA 0.754 62.015 61.300 -0.065 0.000 1.433 758 I CB -0.477 37.507 38.000 -0.027 0.000 1.082 758 I HN 0.014 nan 8.210 nan 0.000 0.432 759 A N 1.305 123.946 122.820 -0.300 0.000 1.845 759 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 759 A C 2.297 179.761 177.584 -0.199 0.000 1.195 759 A CA 1.507 53.342 52.037 -0.336 0.000 0.616 759 A CB -0.717 17.902 19.000 -0.636 0.000 0.832 759 A HN 0.506 nan 8.150 nan 0.000 0.443 760 Q N -1.091 118.605 119.800 -0.174 0.000 2.436 760 Q HA 0.061 4.400 4.340 -0.000 0.000 0.209 760 Q C 1.910 177.857 176.000 -0.087 0.000 0.965 760 Q CA 0.891 56.575 55.803 -0.198 0.000 0.910 760 Q CB -0.154 28.490 28.738 -0.157 0.000 0.980 760 Q HN 0.691 nan 8.270 nan 0.000 0.491 761 M N -0.861 118.771 119.600 0.053 0.000 2.325 761 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 761 M C 1.532 177.868 176.300 0.060 0.000 1.094 761 M CA 1.125 56.514 55.300 0.147 0.000 1.161 761 M CB 0.536 33.204 32.600 0.113 0.000 1.358 761 M HN 0.038 nan 8.290 nan 0.000 0.446 762 S N -0.573 115.130 115.700 0.004 0.000 2.539 762 S HA 0.322 4.792 4.470 -0.000 0.000 0.226 762 S C 1.440 176.029 174.600 -0.019 0.000 1.054 762 S CA 0.252 58.452 58.200 0.001 0.000 0.910 762 S CB 0.462 63.666 63.200 0.007 0.000 0.818 762 S HN 0.398 nan 8.310 nan 0.000 0.490 763 A N 0.509 123.301 122.820 -0.048 0.000 2.383 763 A HA 0.569 4.889 4.320 -0.000 0.000 0.225 763 A C 0.739 178.280 177.584 -0.072 0.000 1.946 763 A CA 0.495 52.506 52.037 -0.045 0.000 0.739 763 A CB -0.492 18.483 19.000 -0.042 0.000 1.405 763 A HN 0.561 nan 8.150 nan 0.000 0.548 764 C N -1.225 118.006 119.300 -0.115 0.000 2.811 764 C HA 0.544 5.004 4.460 -0.000 0.000 0.352 764 C C 1.579 176.414 174.990 -0.258 0.000 1.098 764 C CA -0.297 58.620 59.018 -0.169 0.000 1.295 764 C CB 0.550 28.236 27.740 -0.091 0.000 1.758 764 C HN 0.534 nan 8.230 nan 0.000 0.488 765 V N 5.156 124.838 119.914 -0.386 0.000 2.233 765 V HA 0.264 4.383 4.120 -0.000 0.000 0.247 765 V C 1.740 177.623 176.094 -0.352 0.000 1.050 765 V CA 2.799 64.816 62.300 -0.473 0.000 1.010 765 V CB -1.173 30.286 31.823 -0.607 0.000 0.637 765 V HN 1.767 nan 8.190 nan 0.000 0.444 766 G N -0.918 107.632 108.800 -0.417 0.000 2.353 766 G HA2 0.027 3.987 3.960 -0.000 0.000 0.615 766 G HA3 0.027 3.987 3.960 -0.000 0.000 0.615 766 G C -0.883 173.851 174.900 -0.277 0.000 1.280 766 G CA -0.080 44.862 45.100 -0.264 0.000 1.000 766 G HN 0.514 nan 8.290 nan 0.000 0.516 767 Q N 0.054 119.895 119.800 0.069 0.000 2.314 767 Q HA 0.633 4.973 4.340 -0.000 0.000 0.257 767 Q C 0.363 176.375 176.000 0.020 0.000 0.975 767 Q CA -0.095 55.812 55.803 0.174 0.000 0.933 767 Q CB 1.044 29.975 28.738 0.322 0.000 1.195 767 Q HN 0.588 nan 8.270 nan 0.000 0.426 768 Q N 1.644 121.435 119.800 -0.014 0.000 2.417 768 Q HA 0.550 4.890 4.340 -0.000 0.000 0.241 768 Q C -0.948 175.031 176.000 -0.036 0.000 1.008 768 Q CA 0.371 56.151 55.803 -0.038 0.000 0.901 768 Q CB 1.254 29.993 28.738 0.001 0.000 1.259 768 Q HN 0.829 nan 8.270 nan 0.000 0.489 769 S N -0.690 114.984 115.700 -0.042 0.000 2.567 769 S HA 0.774 5.244 4.470 -0.000 0.000 0.270 769 S C -1.635 172.934 174.600 -0.052 0.000 1.152 769 S CA -0.887 57.278 58.200 -0.059 0.000 0.835 769 S CB 0.942 64.112 63.200 -0.050 0.000 1.115 769 S HN 0.270 nan 8.310 nan 0.000 0.459 770 V N 2.010 121.884 119.914 -0.066 0.000 2.686 770 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 770 V C -0.100 175.961 176.094 -0.056 0.000 1.065 770 V CA -0.697 61.571 62.300 -0.055 0.000 0.894 770 V CB 1.058 32.845 31.823 -0.059 0.000 1.004 770 V HN 1.155 nan 8.190 nan 0.000 0.424 771 E N 3.162 123.337 120.200 -0.041 0.000 2.539 771 E HA -0.327 4.023 4.350 -0.000 0.000 0.253 771 E C 1.233 177.807 176.600 -0.043 0.000 1.145 771 E CA 0.744 57.122 56.400 -0.037 0.000 0.738 771 E CB -1.367 28.309 29.700 -0.039 0.000 1.308 771 E HN 1.574 nan 8.360 nan 0.000 0.409 772 G N -0.326 108.448 108.800 -0.043 0.000 4.365 772 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.214 772 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.214 772 G C 0.248 175.108 174.900 -0.066 0.000 1.450 772 G CA 0.330 45.402 45.100 -0.047 0.000 0.937 772 G HN 0.205 nan 8.290 nan 0.000 0.625 773 K N 3.021 123.372 120.400 -0.081 0.000 2.414 773 K HA 0.458 4.778 4.320 -0.000 0.000 0.272 773 K C 1.341 177.865 176.600 -0.127 0.000 0.993 773 K CA 0.138 56.358 56.287 -0.111 0.000 0.964 773 K CB 0.301 32.723 32.500 -0.130 0.000 0.925 773 K HN 0.771 nan 8.250 nan 0.000 0.487 774 R N 1.598 122.007 120.500 -0.151 0.000 2.822 774 R HA 0.147 4.487 4.340 -0.000 0.000 0.277 774 R C 0.219 176.387 176.300 -0.220 0.000 1.102 774 R CA -0.794 55.211 56.100 -0.160 0.000 1.207 774 R CB -0.101 30.106 30.300 -0.154 0.000 1.139 774 R HN 0.349 nan 8.270 nan 0.000 0.557 775 I N 1.162 121.570 120.570 -0.270 0.000 2.906 775 I HA -0.116 4.053 4.170 -0.000 0.000 0.302 775 I C 1.169 177.089 176.117 -0.329 0.000 1.220 775 I CA 0.370 61.467 61.300 -0.340 0.000 1.441 775 I CB -0.838 36.778 38.000 -0.640 0.000 1.336 775 I HN 0.749 nan 8.210 nan 0.000 0.565 776 A N 7.472 130.143 122.820 -0.247 0.000 2.250 776 A HA 0.495 4.815 4.320 -0.000 0.000 0.283 776 A C -0.047 177.515 177.584 -0.037 0.000 1.206 776 A CA -0.391 51.495 52.037 -0.252 0.000 0.840 776 A CB 0.247 19.149 19.000 -0.162 0.000 1.220 776 A HN 0.599 nan 8.150 nan 0.000 0.505 777 F N 0.463 120.358 119.950 -0.091 0.000 2.395 777 F HA 0.286 4.812 4.527 -0.000 0.000 0.347 777 F C 1.656 177.461 175.800 0.008 0.000 1.157 777 F CA -0.339 57.646 58.000 -0.025 0.000 1.272 777 F CB 0.642 39.632 39.000 -0.016 0.000 1.607 777 F HN 0.763 nan 8.300 nan 0.000 0.571 778 G N 2.226 111.115 108.800 0.148 0.000 2.443 778 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 778 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 778 G C 0.393 175.318 174.900 0.042 0.000 1.131 778 G CA 0.148 45.252 45.100 0.008 0.000 0.775 778 G HN 0.369 nan 8.290 nan 0.000 0.547 779 F N 0.374 120.385 119.950 0.101 0.000 2.399 779 F HA 0.350 4.877 4.527 -0.000 0.000 0.334 779 F C 0.520 176.337 175.800 0.027 0.000 1.097 779 F CA -1.304 56.731 58.000 0.058 0.000 1.076 779 F CB 1.986 41.017 39.000 0.052 0.000 1.162 779 F HN -0.294 nan 8.300 nan 0.000 0.495 780 V N 4.788 124.842 119.914 0.233 0.000 2.613 780 V HA -0.201 3.919 4.120 -0.000 0.000 0.289 780 V C 0.338 176.416 176.094 -0.027 0.000 0.985 780 V CA 0.830 63.192 62.300 0.102 0.000 1.181 780 V CB -0.858 31.007 31.823 0.069 0.000 0.883 780 V HN 0.890 nan 8.190 nan 0.000 0.465 781 D N 3.403 123.750 120.400 -0.089 0.000 2.837 781 D HA -0.187 4.453 4.640 -0.000 0.000 0.230 781 D C 0.475 176.036 176.300 -1.231 0.000 1.152 781 D CA 1.423 55.126 54.000 -0.495 0.000 0.736 781 D CB -0.263 40.432 40.800 -0.174 0.000 1.084 781 D HN 0.950 nan 8.370 nan 0.000 0.429 782 R N -3.437 116.395 120.500 -1.114 0.000 2.709 782 R HA 0.377 4.716 4.340 -0.000 0.000 0.270 782 R C 0.947 177.263 176.300 0.026 0.000 1.038 782 R CA -0.457 55.218 56.100 -0.709 0.000 0.872 782 R CB 0.215 30.398 30.300 -0.195 0.000 1.259 782 R HN -0.132 nan 8.270 nan 0.000 0.473 783 T N -0.987 113.694 114.554 0.213 0.000 2.851 783 T HA 0.200 4.550 4.350 -0.000 0.000 0.262 783 T C 0.976 176.000 174.700 0.541 0.000 1.043 783 T CA 0.542 62.861 62.100 0.364 0.000 1.140 783 T CB -0.043 68.979 68.868 0.256 0.000 0.872 783 T HN 0.336 nan 8.240 nan 0.000 0.446 784 L N 0.432 122.063 121.223 0.680 0.000 2.322 784 L HA 0.433 4.773 4.340 -0.000 0.000 0.252 784 L C -2.172 174.929 176.870 0.386 0.000 1.055 784 L CA -2.622 52.563 54.840 0.574 0.000 0.849 784 L CB 2.540 44.691 42.059 0.153 0.000 1.446 784 L HN -0.220 nan 8.230 nan 0.000 0.416 785 P HA 0.058 nan 4.420 nan 0.000 0.253 785 P C 0.247 177.619 177.300 0.120 0.000 1.459 785 P CA 0.627 63.674 63.100 -0.089 0.000 0.908 785 P CB -0.144 31.342 31.700 -0.356 0.000 1.470 786 H N -1.614 117.364 119.070 -0.154 0.000 2.542 786 H HA 0.295 4.851 4.556 -0.000 0.000 0.283 786 H C -0.054 175.007 175.328 -0.444 0.000 1.059 786 H CA -0.282 55.577 56.048 -0.315 0.000 1.162 786 H CB 0.134 29.633 29.762 -0.439 0.000 1.539 786 H HN 0.146 nan 8.280 nan 0.000 0.543 787 F N 0.537 120.551 119.950 0.107 0.000 2.611 787 F HA 0.328 4.855 4.527 -0.000 0.000 0.324 787 F C 0.216 176.018 175.800 0.004 0.000 1.061 787 F CA -1.189 56.850 58.000 0.065 0.000 0.954 787 F CB 1.886 40.938 39.000 0.087 0.000 1.301 787 F HN -0.158 nan 8.300 nan 0.000 0.482 788 S N 0.883 116.726 115.700 0.238 0.000 2.585 788 S HA 0.348 4.818 4.470 -0.000 0.000 0.277 788 S C -0.459 174.170 174.600 0.049 0.000 1.241 788 S CA -1.181 57.080 58.200 0.101 0.000 1.041 788 S CB 1.019 64.274 63.200 0.093 0.000 0.987 788 S HN 0.387 nan 8.310 nan 0.000 0.512 789 K N 1.171 121.563 120.400 -0.012 0.000 2.508 789 K HA -0.044 4.276 4.320 -0.000 0.000 0.273 789 K C -0.377 176.197 176.600 -0.043 0.000 0.964 789 K CA 0.468 56.706 56.287 -0.081 0.000 0.948 789 K CB -0.122 32.345 32.500 -0.054 0.000 0.917 789 K HN 0.664 nan 8.250 nan 0.000 0.512 790 D N 0.550 120.899 120.400 -0.085 0.000 2.701 790 D HA -0.179 4.461 4.640 -0.000 0.000 0.235 790 D C -0.671 175.815 176.300 0.310 0.000 1.155 790 D CA 1.007 55.114 54.000 0.179 0.000 0.649 790 D CB -0.725 40.173 40.800 0.164 0.000 1.050 790 D HN 0.417 nan 8.370 nan 0.000 0.425 791 D N -0.342 120.172 120.400 0.189 0.000 2.317 791 D HA 0.146 4.786 4.640 -0.000 0.000 0.234 791 D C -0.091 176.438 176.300 0.381 0.000 1.112 791 D CA -0.452 53.687 54.000 0.231 0.000 0.840 791 D CB 0.488 41.319 40.800 0.051 0.000 1.078 791 D HN 0.120 nan 8.370 nan 0.000 0.486 792 Y N 1.332 121.740 120.300 0.181 0.000 2.467 792 Y HA 0.071 4.621 4.550 -0.000 0.000 0.250 792 Y C 1.430 177.417 175.900 0.145 0.000 1.155 792 Y CA -0.397 57.834 58.100 0.217 0.000 1.249 792 Y CB -0.088 38.555 38.460 0.304 0.000 1.146 792 Y HN 0.297 nan 8.280 nan 0.000 0.524 793 S N 1.963 117.804 115.700 0.235 0.000 2.569 793 S HA 0.009 4.479 4.470 -0.000 0.000 0.274 793 S C -1.214 173.452 174.600 0.110 0.000 1.353 793 S CA -0.898 57.400 58.200 0.162 0.000 1.023 793 S CB 1.104 64.394 63.200 0.149 0.000 0.876 793 S HN 0.097 nan 8.310 nan 0.000 0.540 794 P HA -0.124 nan 4.420 nan 0.000 0.215 794 P C 0.585 178.026 177.300 0.234 0.000 1.153 794 P CA 1.391 64.558 63.100 0.112 0.000 0.853 794 P CB -0.193 31.501 31.700 -0.011 0.000 0.788 795 E N -0.320 120.028 120.200 0.246 0.000 2.520 795 E HA -0.033 4.317 4.350 -0.000 0.000 0.201 795 E C 1.802 178.584 176.600 0.304 0.000 1.122 795 E CA 0.645 57.234 56.400 0.316 0.000 0.896 795 E CB -0.518 29.370 29.700 0.313 0.000 0.891 795 E HN 0.269 nan 8.360 nan 0.000 0.533 796 S N -0.862 114.885 115.700 0.078 0.000 2.769 796 S HA 0.083 4.553 4.470 -0.000 0.000 0.258 796 S C 1.292 175.827 174.600 -0.108 0.000 1.080 796 S CA -0.343 57.664 58.200 -0.322 0.000 0.943 796 S CB 0.284 63.062 63.200 -0.702 0.000 0.893 796 S HN -0.074 nan 8.310 nan 0.000 0.490 797 K N 1.411 121.776 120.400 -0.058 0.000 2.444 797 K HA 0.335 4.655 4.320 -0.000 0.000 0.193 797 K C 0.960 177.444 176.600 -0.194 0.000 1.024 797 K CA 0.799 56.986 56.287 -0.168 0.000 1.077 797 K CB 0.342 32.757 32.500 -0.143 0.000 0.833 797 K HN 0.587 nan 8.250 nan 0.000 0.517 798 G N 1.878 110.695 108.800 0.028 0.000 2.337 798 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.134 798 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.134 798 G C -0.819 174.228 174.900 0.245 0.000 1.052 798 G CA -0.677 44.515 45.100 0.153 0.000 0.737 798 G HN 0.194 nan 8.290 nan 0.000 0.485 799 F N 1.737 121.770 119.950 0.137 0.000 2.361 799 F HA 0.626 5.153 4.527 -0.000 0.000 0.364 799 F C 0.273 176.130 175.800 0.094 0.000 1.120 799 F CA -1.192 56.855 58.000 0.077 0.000 1.102 799 F CB 1.629 40.664 39.000 0.059 0.000 1.183 799 F HN 0.028 nan 8.300 nan 0.000 0.476 800 V N 7.721 127.319 119.914 -0.528 0.000 2.356 800 V HA 0.053 4.172 4.120 -0.000 0.000 0.258 800 V C 1.133 176.765 176.094 -0.770 0.000 1.065 800 V CA 0.007 62.039 62.300 -0.446 0.000 0.935 800 V CB 0.731 32.365 31.823 -0.315 0.000 1.061 800 V HN 0.916 nan 8.190 nan 0.000 0.484 801 E N 4.295 124.190 120.200 -0.508 0.000 2.274 801 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 801 E C 0.911 177.396 176.600 -0.192 0.000 0.996 801 E CA 0.343 56.550 56.400 -0.322 0.000 0.840 801 E CB 0.310 30.035 29.700 0.041 0.000 0.772 801 E HN 0.709 nan 8.360 nan 0.000 0.491 802 N N 0.907 119.506 118.700 -0.168 0.000 2.467 802 N HA 0.029 4.769 4.740 -0.000 0.000 0.262 802 N C -0.363 175.038 175.510 -0.182 0.000 1.234 802 N CA 0.277 53.257 53.050 -0.117 0.000 0.952 802 N CB 1.527 39.981 38.487 -0.055 0.000 1.158 802 N HN 0.100 nan 8.380 nan 0.000 0.463 803 S N -0.079 115.547 115.700 -0.124 0.000 2.713 803 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 803 S C 1.011 175.561 174.600 -0.084 0.000 1.161 803 S CA -0.594 57.515 58.200 -0.151 0.000 0.999 803 S CB 0.504 63.667 63.200 -0.062 0.000 1.039 803 S HN 0.562 nan 8.310 nan 0.000 0.548 804 Y N -0.341 119.958 120.300 -0.002 0.000 2.373 804 Y HA -0.039 4.511 4.550 -0.000 0.000 0.293 804 Y C 2.241 178.150 175.900 0.015 0.000 1.129 804 Y CA 0.171 58.282 58.100 0.019 0.000 1.226 804 Y CB -0.003 38.469 38.460 0.020 0.000 1.000 804 Y HN 0.471 nan 8.280 nan 0.000 0.549 805 L N 0.920 122.233 121.223 0.150 0.000 2.046 805 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 805 L C 2.041 178.952 176.870 0.067 0.000 1.077 805 L CA 1.878 56.770 54.840 0.087 0.000 0.747 805 L CB -0.770 41.321 42.059 0.054 0.000 0.896 805 L HN 0.194 nan 8.230 nan 0.000 0.432 806 R N -0.420 120.113 120.500 0.054 0.000 2.075 806 R HA 0.169 4.509 4.340 -0.000 0.000 0.226 806 R C 0.509 176.842 176.300 0.054 0.000 1.114 806 R CA 0.735 56.859 56.100 0.040 0.000 0.972 806 R CB -0.292 30.019 30.300 0.020 0.000 0.869 806 R HN 0.526 nan 8.270 nan 0.000 0.437 807 G N 1.021 109.869 108.800 0.080 0.000 3.355 807 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.686 807 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.686 807 G C -0.898 174.057 174.900 0.093 0.000 1.097 807 G CA -1.044 44.119 45.100 0.105 0.000 0.881 807 G HN -0.020 nan 8.290 nan 0.000 0.550 808 L N 1.727 123.038 121.223 0.147 0.000 2.482 808 L HA 0.540 4.879 4.340 -0.000 0.000 0.273 808 L C 1.879 178.818 176.870 0.114 0.000 1.228 808 L CA 0.876 55.802 54.840 0.143 0.000 0.827 808 L CB 0.459 42.672 42.059 0.256 0.000 1.099 808 L HN 1.010 nan 8.230 nan 0.000 0.494 809 T N -1.184 113.423 114.554 0.088 0.000 2.902 809 T HA 0.385 4.734 4.350 -0.000 0.000 0.280 809 T C -1.881 172.861 174.700 0.070 0.000 0.992 809 T CA -1.821 60.310 62.100 0.051 0.000 1.015 809 T CB 1.213 70.099 68.868 0.030 0.000 1.044 809 T HN 0.397 nan 8.240 nan 0.000 0.520 810 P HA -0.181 nan 4.420 nan 0.000 0.218 810 P C 1.442 178.755 177.300 0.023 0.000 1.154 810 P CA 1.381 64.502 63.100 0.036 0.000 0.872 810 P CB 0.039 31.737 31.700 -0.003 0.000 0.790 811 Q N -0.700 119.025 119.800 -0.125 0.000 2.049 811 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 811 Q C 2.121 177.895 176.000 -0.376 0.000 0.971 811 Q CA 1.326 56.875 55.803 -0.424 0.000 0.833 811 Q CB -0.851 27.636 28.738 -0.418 0.000 0.896 811 Q HN 0.386 nan 8.270 nan 0.000 0.434 812 E N -0.111 120.046 120.200 -0.073 0.000 2.085 812 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 812 E C 1.719 178.429 176.600 0.183 0.000 0.994 812 E CA 1.098 57.542 56.400 0.074 0.000 0.801 812 E CB -0.275 29.473 29.700 0.080 0.000 0.743 812 E HN 0.277 nan 8.360 nan 0.000 0.453 813 F N 0.775 120.765 119.950 0.066 0.000 2.075 813 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 813 F C 2.108 177.999 175.800 0.152 0.000 1.113 813 F CA 1.484 59.551 58.000 0.112 0.000 1.218 813 F CB -0.355 38.688 39.000 0.072 0.000 0.984 813 F HN -0.056 nan 8.300 nan 0.000 0.472 814 F N -0.398 119.626 119.950 0.123 0.000 2.293 814 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 814 F C 1.935 177.846 175.800 0.185 0.000 1.086 814 F CA 1.318 59.362 58.000 0.074 0.000 1.375 814 F CB -0.408 38.643 39.000 0.086 0.000 1.045 814 F HN 0.006 nan 8.300 nan 0.000 0.516 815 F N -1.564 118.567 119.950 0.301 0.000 2.187 815 F HA -0.199 4.328 4.527 -0.000 0.000 0.295 815 F C 2.628 178.480 175.800 0.086 0.000 1.091 815 F CA 0.625 58.749 58.000 0.205 0.000 1.308 815 F CB -0.621 38.487 39.000 0.181 0.000 1.030 815 F HN 0.030 nan 8.300 nan 0.000 0.487 816 H N 1.149 120.290 119.070 0.118 0.000 2.352 816 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 816 H C 2.090 177.339 175.328 -0.131 0.000 1.097 816 H CA 1.489 57.522 56.048 -0.024 0.000 1.311 816 H CB -0.510 29.212 29.762 -0.066 0.000 1.377 816 H HN 0.203 nan 8.280 nan 0.000 0.504 817 A N 1.190 123.902 122.820 -0.181 0.000 1.842 817 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 817 A C 2.808 180.266 177.584 -0.211 0.000 1.206 817 A CA 2.335 54.154 52.037 -0.364 0.000 0.630 817 A CB -1.026 17.616 19.000 -0.597 0.000 0.839 817 A HN 0.502 nan 8.150 nan 0.000 0.447 818 M N -0.805 118.679 119.600 -0.194 0.000 2.147 818 M HA -0.255 4.225 4.480 -0.000 0.000 0.253 818 M C 2.269 178.545 176.300 -0.041 0.000 1.075 818 M CA 1.891 57.131 55.300 -0.100 0.000 1.085 818 M CB -0.990 31.626 32.600 0.026 0.000 1.305 818 M HN 0.582 nan 8.290 nan 0.000 0.409 819 G N -0.548 108.259 108.800 0.012 0.000 2.421 819 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 819 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 819 G C 1.448 176.361 174.900 0.022 0.000 1.171 819 G CA 1.048 46.162 45.100 0.023 0.000 0.775 819 G HN 0.583 nan 8.290 nan 0.000 0.543 820 G N 0.981 109.802 108.800 0.035 0.000 2.480 820 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 820 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 820 G C 1.814 176.688 174.900 -0.043 0.000 1.200 820 G CA 1.296 46.393 45.100 -0.005 0.000 0.782 820 G HN 0.517 nan 8.290 nan 0.000 0.554 821 R N 0.959 121.412 120.500 -0.078 0.000 2.294 821 R HA -0.145 4.195 4.340 -0.000 0.000 0.250 821 R C 2.120 178.392 176.300 -0.048 0.000 1.181 821 R CA 2.129 58.184 56.100 -0.075 0.000 1.016 821 R CB -0.486 29.756 30.300 -0.097 0.000 0.869 821 R HN 0.581 nan 8.270 nan 0.000 0.476 822 E N -1.357 118.822 120.200 -0.036 0.000 2.122 822 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 822 E C 1.752 178.340 176.600 -0.019 0.000 0.977 822 E CA 0.824 57.209 56.400 -0.025 0.000 0.820 822 E CB -0.248 29.439 29.700 -0.022 0.000 0.770 822 E HN 0.536 nan 8.360 nan 0.000 0.462 823 G N 1.742 110.533 108.800 -0.015 0.000 2.433 823 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 823 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 823 G C 1.596 176.486 174.900 -0.016 0.000 1.186 823 G CA 0.687 45.781 45.100 -0.010 0.000 0.779 823 G HN 0.187 nan 8.290 nan 0.000 0.543 824 L N 0.083 121.292 121.223 -0.024 0.000 2.089 824 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 824 L C 2.853 179.709 176.870 -0.023 0.000 1.079 824 L CA 0.840 55.664 54.840 -0.027 0.000 0.758 824 L CB -0.465 41.571 42.059 -0.038 0.000 0.891 824 L HN 0.249 nan 8.230 nan 0.000 0.433 825 I N 0.559 121.116 120.570 -0.023 0.000 2.094 825 I HA -0.294 3.876 4.170 -0.000 0.000 0.234 825 I C 2.284 178.393 176.117 -0.014 0.000 1.063 825 I CA 1.767 63.056 61.300 -0.019 0.000 1.328 825 I CB -0.490 37.498 38.000 -0.019 0.000 1.058 825 I HN 0.385 nan 8.210 nan 0.000 0.400 826 D N -0.543 119.850 120.400 -0.012 0.000 2.265 826 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 826 D C 1.900 178.196 176.300 -0.006 0.000 0.977 826 D CA 1.472 55.468 54.000 -0.007 0.000 0.871 826 D CB -0.623 40.174 40.800 -0.005 0.000 0.925 826 D HN 0.155 nan 8.370 nan 0.000 0.485 827 T N -1.240 113.308 114.554 -0.010 0.000 2.821 827 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 827 T C 1.836 176.530 174.700 -0.010 0.000 1.046 827 T CA 1.471 63.565 62.100 -0.010 0.000 1.139 827 T CB -0.475 68.385 68.868 -0.013 0.000 0.871 827 T HN 0.352 nan 8.240 nan 0.000 0.454 828 A N -0.094 122.719 122.820 -0.012 0.000 2.208 828 A HA 0.241 4.561 4.320 -0.000 0.000 0.209 828 A C 2.134 179.713 177.584 -0.008 0.000 1.161 828 A CA 0.672 52.702 52.037 -0.012 0.000 0.782 828 A CB -0.108 18.883 19.000 -0.015 0.000 0.816 828 A HN 0.443 nan 8.150 nan 0.000 0.477 829 V N -0.892 119.018 119.914 -0.005 0.000 2.599 829 V HA -0.020 4.099 4.120 -0.000 0.000 0.237 829 V C 2.140 178.238 176.094 0.006 0.000 1.081 829 V CA 1.449 63.749 62.300 0.000 0.000 1.107 829 V CB -0.653 31.170 31.823 0.000 0.000 0.808 829 V HN 0.281 nan 8.190 nan 0.000 0.486 830 K N 0.541 120.944 120.400 0.005 0.000 2.228 830 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 830 K C 2.248 178.853 176.600 0.008 0.000 1.045 830 K CA 1.954 58.246 56.287 0.008 0.000 0.931 830 K CB -0.746 31.755 32.500 0.003 0.000 0.727 830 K HN 0.517 nan 8.250 nan 0.000 0.458 831 T N -1.023 113.533 114.554 0.003 0.000 2.770 831 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 831 T C 1.739 176.446 174.700 0.011 0.000 1.039 831 T CA 1.249 63.350 62.100 0.001 0.000 1.142 831 T CB -0.156 68.708 68.868 -0.006 0.000 0.868 831 T HN 0.256 nan 8.240 nan 0.000 0.435 832 A N 0.483 123.311 122.820 0.013 0.000 1.929 832 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 832 A C 2.145 179.762 177.584 0.055 0.000 1.176 832 A CA 1.852 53.902 52.037 0.021 0.000 0.628 832 A CB -0.654 18.347 19.000 0.002 0.000 0.816 832 A HN 0.652 nan 8.150 nan 0.000 0.444 833 E N -1.184 119.049 120.200 0.056 0.000 2.072 833 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 833 E C 2.077 178.734 176.600 0.095 0.000 0.985 833 E CA 1.437 57.892 56.400 0.092 0.000 0.801 833 E CB -0.178 29.561 29.700 0.066 0.000 0.750 833 E HN 0.496 nan 8.360 nan 0.000 0.452 834 T N -0.886 113.699 114.554 0.051 0.000 2.708 834 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 834 T C 1.683 176.406 174.700 0.039 0.000 1.037 834 T CA 1.465 63.582 62.100 0.029 0.000 1.146 834 T CB -0.624 68.248 68.868 0.005 0.000 0.865 834 T HN 0.405 nan 8.240 nan 0.000 0.435 835 G N -0.471 108.361 108.800 0.053 0.000 2.446 835 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.217 835 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.217 835 G C 1.404 176.384 174.900 0.132 0.000 1.168 835 G CA 1.084 46.222 45.100 0.064 0.000 0.771 835 G HN 0.572 nan 8.290 nan 0.000 0.551 836 Y N 1.345 121.654 120.300 0.015 0.000 2.242 836 Y HA 0.027 4.576 4.550 -0.000 0.000 0.291 836 Y C 2.563 178.495 175.900 0.055 0.000 1.137 836 Y CA 0.537 58.661 58.100 0.040 0.000 1.181 836 Y CB -0.289 38.193 38.460 0.037 0.000 0.989 836 Y HN 0.198 nan 8.280 nan 0.000 0.527 837 I N -0.129 120.439 120.570 -0.003 0.000 2.127 837 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 837 I C 2.627 178.680 176.117 -0.108 0.000 1.075 837 I CA 1.747 62.980 61.300 -0.112 0.000 1.334 837 I CB -0.573 37.401 38.000 -0.042 0.000 1.040 837 I HN 0.263 nan 8.210 nan 0.000 0.405 838 Q N 0.723 120.490 119.800 -0.054 0.000 2.096 838 Q HA -0.306 4.034 4.340 -0.000 0.000 0.208 838 Q C 2.301 178.260 176.000 -0.068 0.000 0.993 838 Q CA 2.257 58.023 55.803 -0.063 0.000 0.862 838 Q CB -0.251 28.461 28.738 -0.042 0.000 0.915 838 Q HN 0.435 nan 8.270 nan 0.000 0.416 839 R N 0.111 120.601 120.500 -0.018 0.000 2.070 839 R HA -0.146 4.194 4.340 -0.000 0.000 0.233 839 R C 2.349 178.614 176.300 -0.059 0.000 1.137 839 R CA 1.773 57.883 56.100 0.016 0.000 0.945 839 R CB -0.137 30.261 30.300 0.164 0.000 0.845 839 R HN 0.114 nan 8.270 nan 0.000 0.430 840 R N 0.352 120.789 120.500 -0.106 0.000 2.119 840 R HA -0.159 4.180 4.340 -0.000 0.000 0.246 840 R C 2.417 178.521 176.300 -0.328 0.000 1.146 840 R CA 2.033 58.031 56.100 -0.170 0.000 0.962 840 R CB -0.605 29.575 30.300 -0.199 0.000 0.863 840 R HN 0.282 nan 8.270 nan 0.000 0.442 841 L N -0.084 120.987 121.223 -0.254 0.000 1.970 841 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 841 L C 2.327 179.015 176.870 -0.303 0.000 1.071 841 L CA 1.353 56.028 54.840 -0.274 0.000 0.751 841 L CB -0.520 41.428 42.059 -0.185 0.000 0.889 841 L HN 0.083 nan 8.230 nan 0.000 0.432 842 V N -0.727 119.054 119.914 -0.223 0.000 2.407 842 V HA -0.246 3.873 4.120 -0.000 0.000 0.248 842 V C 2.457 178.405 176.094 -0.243 0.000 1.055 842 V CA 1.438 63.622 62.300 -0.193 0.000 1.049 842 V CB -0.610 31.140 31.823 -0.123 0.000 0.662 842 V HN 0.346 nan 8.190 nan 0.000 0.455 843 K N 0.304 120.521 120.400 -0.305 0.000 2.365 843 K HA 0.114 4.434 4.320 -0.000 0.000 0.199 843 K C 1.943 178.208 176.600 -0.558 0.000 1.045 843 K CA 1.186 57.268 56.287 -0.342 0.000 0.962 843 K CB -0.309 31.961 32.500 -0.384 0.000 0.759 843 K HN 0.506 nan 8.250 nan 0.000 0.469 844 A N -0.176 122.109 122.820 -0.891 0.000 2.238 844 A HA 0.153 4.472 4.320 -0.000 0.000 0.210 844 A C 1.582 178.835 177.584 -0.552 0.000 1.179 844 A CA 0.273 51.580 52.037 -1.218 0.000 0.827 844 A CB 0.084 18.084 19.000 -1.667 0.000 0.856 844 A HN 0.186 nan 8.150 nan 0.000 0.488 845 L N -1.783 119.223 121.223 -0.362 0.000 2.920 845 L HA 0.149 4.488 4.340 -0.000 0.000 0.257 845 L C 1.512 178.293 176.870 -0.148 0.000 1.150 845 L CA -0.006 54.706 54.840 -0.213 0.000 0.959 845 L CB -0.207 41.747 42.059 -0.175 0.000 1.321 845 L HN 0.285 nan 8.230 nan 0.000 0.555 846 E N 1.819 121.927 120.200 -0.153 0.000 2.242 846 E HA -0.345 4.005 4.350 -0.000 0.000 0.247 846 E C 1.014 177.565 176.600 -0.081 0.000 1.056 846 E CA 2.324 58.661 56.400 -0.105 0.000 0.999 846 E CB -0.439 29.209 29.700 -0.086 0.000 0.891 846 E HN 0.596 nan 8.360 nan 0.000 0.512 847 D N 0.819 121.181 120.400 -0.063 0.000 2.390 847 D HA -0.089 4.551 4.640 -0.000 0.000 0.235 847 D C 0.514 176.797 176.300 -0.028 0.000 1.040 847 D CA 0.513 54.489 54.000 -0.040 0.000 0.923 847 D CB -0.497 40.294 40.800 -0.017 0.000 0.886 847 D HN 0.189 nan 8.370 nan 0.000 0.532 848 I N 0.922 121.466 120.570 -0.043 0.000 2.342 848 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 848 I C 0.355 176.436 176.117 -0.060 0.000 1.010 848 I CA -0.507 60.779 61.300 -0.024 0.000 1.308 848 I CB 0.744 38.731 38.000 -0.021 0.000 1.400 848 I HN -0.014 nan 8.210 nan 0.000 0.488 849 M N 4.809 124.363 119.600 -0.077 0.000 2.520 849 M HA 0.487 4.967 4.480 -0.000 0.000 0.280 849 M C -1.561 174.615 176.300 -0.207 0.000 1.232 849 M CA -0.881 54.306 55.300 -0.188 0.000 0.892 849 M CB 1.943 34.381 32.600 -0.270 0.000 1.728 849 M HN 0.027 nan 8.290 nan 0.000 0.475 850 V N 3.740 123.507 119.914 -0.245 0.000 2.450 850 V HA 0.131 4.251 4.120 -0.000 0.000 0.281 850 V C 0.258 176.214 176.094 -0.231 0.000 1.019 850 V CA 0.364 62.562 62.300 -0.169 0.000 1.062 850 V CB -0.500 31.194 31.823 -0.215 0.000 0.979 850 V HN 0.716 nan 8.190 nan 0.000 0.477 851 H N 4.257 123.277 119.070 -0.083 0.000 2.508 851 H HA 0.141 4.696 4.556 -0.000 0.000 0.358 851 H C 0.537 175.843 175.328 -0.037 0.000 1.212 851 H CA -0.287 55.711 56.048 -0.084 0.000 1.356 851 H CB 0.903 30.655 29.762 -0.016 0.000 1.525 851 H HN 0.630 nan 8.280 nan 0.000 0.578 852 Y N 0.604 120.987 120.300 0.138 0.000 2.617 852 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 852 Y C 1.324 177.267 175.900 0.072 0.000 1.162 852 Y CA 0.938 59.087 58.100 0.080 0.000 1.399 852 Y CB 0.063 38.568 38.460 0.075 0.000 0.962 852 Y HN 0.619 nan 8.280 nan 0.000 0.576 853 D N -2.903 117.638 120.400 0.235 0.000 2.402 853 D HA 0.023 4.662 4.640 -0.000 0.000 0.216 853 D C 0.306 176.692 176.300 0.142 0.000 1.128 853 D CA 0.051 54.150 54.000 0.165 0.000 0.833 853 D CB -0.286 40.597 40.800 0.138 0.000 0.971 853 D HN 0.032 nan 8.370 nan 0.000 0.503 854 N N -1.188 117.595 118.700 0.139 0.000 2.965 854 N HA -0.166 4.574 4.740 -0.000 0.000 0.232 854 N C -0.417 175.179 175.510 0.143 0.000 0.913 854 N CA 1.192 54.318 53.050 0.127 0.000 0.981 854 N CB -1.722 36.839 38.487 0.122 0.000 1.077 854 N HN 0.379 nan 8.380 nan 0.000 0.589 855 T N 0.623 115.262 114.554 0.142 0.000 2.909 855 T HA 0.359 4.709 4.350 -0.000 0.000 0.289 855 T C 0.036 174.810 174.700 0.123 0.000 1.005 855 T CA 0.415 62.584 62.100 0.115 0.000 1.084 855 T CB 0.845 69.757 68.868 0.075 0.000 0.975 855 T HN 0.042 nan 8.240 nan 0.000 0.509 856 T N 6.005 120.608 114.554 0.081 0.000 2.821 856 T HA 0.478 4.828 4.350 -0.000 0.000 0.307 856 T C -0.021 174.713 174.700 0.056 0.000 1.034 856 T CA -0.523 61.639 62.100 0.104 0.000 0.953 856 T CB 0.290 69.240 68.868 0.136 0.000 0.968 856 T HN 0.489 nan 8.240 nan 0.000 0.462 857 R N 2.180 122.764 120.500 0.141 0.000 2.960 857 R HA 0.584 4.924 4.340 -0.000 0.000 0.249 857 R C 0.503 176.862 176.300 0.099 0.000 1.192 857 R CA -1.115 55.006 56.100 0.034 0.000 1.035 857 R CB 1.421 31.634 30.300 -0.145 0.000 1.234 857 R HN 0.678 nan 8.270 nan 0.000 0.493 858 N N -1.559 117.164 118.700 0.038 0.000 2.992 858 N HA 0.092 4.832 4.740 -0.000 0.000 0.338 858 N C 0.283 175.827 175.510 0.056 0.000 1.376 858 N CA -0.581 52.495 53.050 0.043 0.000 0.778 858 N CB 0.680 39.170 38.487 0.005 0.000 1.232 858 N HN 0.462 nan 8.380 nan 0.000 0.581 859 S N -0.951 114.768 115.700 0.032 0.000 2.660 859 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 859 S C 1.275 175.886 174.600 0.017 0.000 0.963 859 S CA -0.089 58.130 58.200 0.032 0.000 0.932 859 S CB -0.573 62.640 63.200 0.022 0.000 0.775 859 S HN 0.498 nan 8.310 nan 0.000 0.531 860 L N -0.194 121.032 121.223 0.004 0.000 2.672 860 L HA 0.391 4.731 4.340 -0.000 0.000 0.236 860 L C 1.829 178.682 176.870 -0.028 0.000 1.092 860 L CA 0.476 55.313 54.840 -0.005 0.000 0.887 860 L CB 0.088 42.148 42.059 0.001 0.000 1.168 860 L HN 0.550 nan 8.230 nan 0.000 0.502 861 G N 0.216 108.982 108.800 -0.057 0.000 2.175 861 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 861 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 861 G C 0.029 174.868 174.900 -0.101 0.000 0.982 861 G CA -0.192 44.839 45.100 -0.116 0.000 0.641 861 G HN 0.331 nan 8.290 nan 0.000 0.527 862 N N 0.938 119.599 118.700 -0.065 0.000 2.447 862 N HA 0.354 5.094 4.740 -0.000 0.000 0.263 862 N C 0.728 176.174 175.510 -0.106 0.000 1.226 862 N CA 0.164 53.176 53.050 -0.064 0.000 0.906 862 N CB 1.364 39.830 38.487 -0.035 0.000 1.060 862 N HN 0.250 nan 8.380 nan 0.000 0.468 863 V N 3.074 122.892 119.914 -0.160 0.000 2.843 863 V HA 0.068 4.188 4.120 -0.000 0.000 0.305 863 V C 1.640 177.587 176.094 -0.245 0.000 1.065 863 V CA 0.255 62.388 62.300 -0.278 0.000 1.116 863 V CB 0.520 31.999 31.823 -0.574 0.000 0.968 863 V HN 0.631 nan 8.190 nan 0.000 0.487 864 I N 1.207 121.650 120.570 -0.211 0.000 4.197 864 I HA 0.193 4.363 4.170 -0.000 0.000 0.307 864 I C 0.562 176.606 176.117 -0.121 0.000 1.236 864 I CA 0.355 61.582 61.300 -0.122 0.000 1.321 864 I CB 0.625 38.596 38.000 -0.048 0.000 1.309 864 I HN 0.587 nan 8.210 nan 0.000 0.450 865 Q N -0.432 119.286 119.800 -0.136 0.000 2.289 865 Q HA 0.335 4.675 4.340 -0.000 0.000 0.270 865 Q C -0.463 175.465 176.000 -0.120 0.000 1.038 865 Q CA -0.498 55.276 55.803 -0.049 0.000 0.812 865 Q CB 2.668 31.451 28.738 0.074 0.000 1.300 865 Q HN 0.031 nan 8.270 nan 0.000 0.427 866 F N 0.756 120.749 119.950 0.071 0.000 2.206 866 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 866 F C 0.740 176.588 175.800 0.081 0.000 1.090 866 F CA 0.897 58.937 58.000 0.065 0.000 1.323 866 F CB 0.548 39.577 39.000 0.048 0.000 1.028 866 F HN 0.378 nan 8.300 nan 0.000 0.492 867 I N -1.471 119.245 120.570 0.243 0.000 2.534 867 I HA 0.127 4.297 4.170 -0.000 0.000 0.288 867 I C -0.898 175.329 176.117 0.184 0.000 1.077 867 I CA -1.198 60.218 61.300 0.194 0.000 1.051 867 I CB 1.076 39.173 38.000 0.162 0.000 1.234 867 I HN -0.140 nan 8.210 nan 0.000 0.425 868 Y N 6.786 127.128 120.300 0.069 0.000 2.881 868 Y HA 0.272 4.822 4.550 -0.000 0.000 0.335 868 Y C 1.442 177.379 175.900 0.061 0.000 1.263 868 Y CA 1.236 59.371 58.100 0.058 0.000 1.572 868 Y CB 0.253 38.737 38.460 0.041 0.000 1.237 868 Y HN 0.892 nan 8.280 nan 0.000 0.568 869 G N 4.287 112.761 108.800 -0.543 0.000 2.168 869 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.257 869 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.257 869 G C 0.415 175.222 174.900 -0.154 0.000 0.997 869 G CA 0.564 45.391 45.100 -0.455 0.000 0.708 869 G HN 0.966 nan 8.290 nan 0.000 0.520 870 E N -1.365 118.812 120.200 -0.038 0.000 2.883 870 E HA -0.282 4.068 4.350 -0.000 0.000 0.271 870 E C 1.031 177.620 176.600 -0.018 0.000 1.049 870 E CA 1.412 57.815 56.400 0.005 0.000 0.817 870 E CB -0.600 29.097 29.700 -0.005 0.000 1.407 870 E HN 0.937 nan 8.360 nan 0.000 0.434 871 D N -2.712 117.678 120.400 -0.018 0.000 2.424 871 D HA 0.049 4.689 4.640 -0.000 0.000 0.428 871 D C 1.079 177.394 176.300 0.025 0.000 1.148 871 D CA 0.743 54.744 54.000 0.002 0.000 0.986 871 D CB -0.471 40.310 40.800 -0.032 0.000 1.461 871 D HN 0.363 nan 8.370 nan 0.000 0.447 872 G N 1.068 109.902 108.800 0.056 0.000 2.155 872 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 872 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 872 G C 0.024 174.973 174.900 0.082 0.000 0.983 872 G CA 0.858 46.024 45.100 0.110 0.000 0.676 872 G HN 0.370 nan 8.290 nan 0.000 0.528 873 M N 1.009 120.632 119.600 0.038 0.000 2.367 873 M HA 0.499 4.979 4.480 -0.000 0.000 0.339 873 M C -0.027 176.364 176.300 0.151 0.000 1.177 873 M CA -1.828 53.475 55.300 0.005 0.000 1.068 873 M CB 1.365 33.914 32.600 -0.084 0.000 1.602 873 M HN 0.172 nan 8.290 nan 0.000 0.457 874 D N 2.178 122.676 120.400 0.163 0.000 2.325 874 D HA 0.335 4.975 4.640 -0.000 0.000 0.251 874 D C 0.683 177.055 176.300 0.119 0.000 1.196 874 D CA 0.022 54.141 54.000 0.198 0.000 0.866 874 D CB 1.073 41.999 40.800 0.210 0.000 1.101 874 D HN 0.690 nan 8.370 nan 0.000 0.476 875 A N 3.963 126.848 122.820 0.109 0.000 2.148 875 A HA -0.116 4.204 4.320 -0.000 0.000 0.222 875 A C 2.011 179.585 177.584 -0.017 0.000 1.161 875 A CA 1.876 53.936 52.037 0.038 0.000 0.662 875 A CB -0.480 18.536 19.000 0.027 0.000 0.799 875 A HN 0.674 nan 8.150 nan 0.000 0.466 876 A N -1.764 120.991 122.820 -0.108 0.000 2.066 876 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 876 A C 1.421 178.839 177.584 -0.277 0.000 1.157 876 A CA 0.834 52.727 52.037 -0.239 0.000 0.670 876 A CB -0.469 18.310 19.000 -0.370 0.000 0.804 876 A HN 0.605 nan 8.150 nan 0.000 0.453 877 H N -0.527 118.548 119.070 0.009 0.000 2.577 877 H HA 0.455 5.011 4.556 -0.000 0.000 0.306 877 H C -0.533 174.803 175.328 0.014 0.000 1.109 877 H CA -0.069 55.983 56.048 0.006 0.000 1.063 877 H CB -0.279 29.458 29.762 -0.041 0.000 1.535 877 H HN 0.362 nan 8.280 nan 0.000 0.532 878 I N 0.607 121.253 120.570 0.128 0.000 2.785 878 I HA 0.303 4.472 4.170 -0.000 0.000 0.302 878 I C -0.191 176.020 176.117 0.157 0.000 1.069 878 I CA -0.757 60.616 61.300 0.122 0.000 1.045 878 I CB 2.790 40.849 38.000 0.099 0.000 1.236 878 I HN 0.027 nan 8.210 nan 0.000 0.429 879 E N 2.586 122.862 120.200 0.128 0.000 2.413 879 E HA 0.352 4.702 4.350 -0.000 0.000 0.277 879 E C -1.411 175.241 176.600 0.086 0.000 0.958 879 E CA -1.160 55.297 56.400 0.097 0.000 0.779 879 E CB 2.740 32.432 29.700 -0.014 0.000 1.278 879 E HN 0.337 nan 8.360 nan 0.000 0.456 880 K N 1.803 122.235 120.400 0.053 0.000 2.379 880 K HA 0.100 4.420 4.320 -0.000 0.000 0.284 880 K C -0.623 175.987 176.600 0.018 0.000 1.044 880 K CA 0.419 56.715 56.287 0.016 0.000 0.974 880 K CB 0.495 32.975 32.500 -0.033 0.000 0.962 880 K HN 0.308 nan 8.250 nan 0.000 0.474 881 Q N 1.322 121.151 119.800 0.047 0.000 2.423 881 Q HA 0.214 4.554 4.340 -0.000 0.000 0.278 881 Q C -1.163 174.874 176.000 0.062 0.000 1.097 881 Q CA -0.836 55.004 55.803 0.060 0.000 0.809 881 Q CB 2.277 31.077 28.738 0.103 0.000 1.391 881 Q HN 0.598 nan 8.270 nan 0.000 0.428 882 S N 1.901 117.632 115.700 0.053 0.000 2.480 882 S HA 0.396 4.866 4.470 -0.000 0.000 0.286 882 S C -0.214 174.440 174.600 0.090 0.000 1.180 882 S CA -0.616 57.618 58.200 0.057 0.000 1.075 882 S CB 0.250 63.470 63.200 0.034 0.000 0.996 882 S HN 0.555 nan 8.310 nan 0.000 0.487 883 L N 5.386 126.677 121.223 0.112 0.000 2.598 883 L HA 0.228 4.568 4.340 -0.000 0.000 0.241 883 L C 1.010 177.945 176.870 0.107 0.000 1.244 883 L CA -0.541 54.369 54.840 0.117 0.000 1.198 883 L CB -0.359 41.790 42.059 0.150 0.000 1.448 883 L HN 0.801 nan 8.230 nan 0.000 0.406 884 D N 0.474 120.945 120.400 0.119 0.000 2.723 884 D HA -0.323 4.317 4.640 -0.000 0.000 0.208 884 D C 1.643 178.030 176.300 0.144 0.000 1.050 884 D CA 2.448 56.537 54.000 0.149 0.000 0.893 884 D CB -0.253 40.686 40.800 0.232 0.000 1.062 884 D HN 0.419 nan 8.370 nan 0.000 0.478 885 T N 1.679 116.307 114.554 0.122 0.000 2.693 885 T HA -0.275 4.074 4.350 -0.000 0.000 0.263 885 T C 1.999 176.723 174.700 0.039 0.000 1.046 885 T CA 1.670 63.806 62.100 0.060 0.000 1.160 885 T CB -0.607 68.243 68.868 -0.030 0.000 0.853 885 T HN 0.280 nan 8.240 nan 0.000 0.462 886 I N 0.395 120.993 120.570 0.047 0.000 2.069 886 I HA -0.073 4.097 4.170 -0.000 0.000 0.237 886 I C 1.666 177.815 176.117 0.054 0.000 1.053 886 I CA 1.582 62.907 61.300 0.043 0.000 1.311 886 I CB -0.753 37.287 38.000 0.068 0.000 1.030 886 I HN 0.365 nan 8.210 nan 0.000 0.398 887 G N -0.627 108.190 108.800 0.029 0.000 2.570 887 G HA2 0.415 4.375 3.960 -0.000 0.000 0.276 887 G HA3 0.415 4.375 3.960 -0.000 0.000 0.276 887 G C -0.065 174.905 174.900 0.116 0.000 1.346 887 G CA 0.183 45.305 45.100 0.037 0.000 1.034 887 G HN 0.937 nan 8.290 nan 0.000 0.512 888 G N -1.689 107.189 108.800 0.130 0.000 2.731 888 G HA2 0.251 4.210 3.960 -0.000 0.000 0.686 888 G HA3 0.251 4.210 3.960 -0.000 0.000 0.686 888 G C 0.232 175.215 174.900 0.138 0.000 1.395 888 G CA 0.268 45.449 45.100 0.135 0.000 0.870 888 G HN 1.987 nan 8.290 nan 0.000 0.591 889 S N 0.455 116.228 115.700 0.122 0.000 2.568 889 S HA 0.296 4.766 4.470 -0.000 0.000 0.282 889 S C 1.128 175.806 174.600 0.130 0.000 1.338 889 S CA 0.516 58.777 58.200 0.102 0.000 1.045 889 S CB 1.377 64.629 63.200 0.087 0.000 0.873 889 S HN 0.603 nan 8.310 nan 0.000 0.516 890 D N 2.045 122.500 120.400 0.091 0.000 2.221 890 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 890 D C 2.134 178.562 176.300 0.213 0.000 0.982 890 D CA 1.541 55.615 54.000 0.122 0.000 0.857 890 D CB -0.545 40.292 40.800 0.062 0.000 0.934 890 D HN 0.727 nan 8.370 nan 0.000 0.475 891 A N 1.870 124.780 122.820 0.150 0.000 1.837 891 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 891 A C 2.434 180.115 177.584 0.162 0.000 1.210 891 A CA 2.652 54.771 52.037 0.137 0.000 0.632 891 A CB -1.029 18.026 19.000 0.093 0.000 0.843 891 A HN 0.261 nan 8.150 nan 0.000 0.448 892 A N -1.889 121.023 122.820 0.153 0.000 2.019 892 A HA 0.017 4.336 4.320 -0.000 0.000 0.219 892 A C 1.987 179.699 177.584 0.213 0.000 1.164 892 A CA 1.597 53.719 52.037 0.142 0.000 0.644 892 A CB -0.728 18.341 19.000 0.116 0.000 0.805 892 A HN 0.765 nan 8.150 nan 0.000 0.449 893 F N 1.165 121.197 119.950 0.137 0.000 2.069 893 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 893 F C 2.216 178.183 175.800 0.279 0.000 1.113 893 F CA 2.369 60.480 58.000 0.185 0.000 1.214 893 F CB -0.413 38.634 39.000 0.078 0.000 0.978 893 F HN 0.471 nan 8.300 nan 0.000 0.474 894 E N 0.588 120.969 120.200 0.302 0.000 2.031 894 E HA -0.324 4.025 4.350 -0.000 0.000 0.193 894 E C 2.315 178.973 176.600 0.098 0.000 0.994 894 E CA 1.591 58.146 56.400 0.259 0.000 0.800 894 E CB -0.515 29.361 29.700 0.294 0.000 0.752 894 E HN 0.485 nan 8.360 nan 0.000 0.447 895 K N 0.271 120.705 120.400 0.057 0.000 2.362 895 K HA -0.205 4.115 4.320 -0.000 0.000 0.202 895 K C 2.200 178.752 176.600 -0.080 0.000 1.045 895 K CA 1.209 57.473 56.287 -0.038 0.000 0.936 895 K CB 0.013 32.499 32.500 -0.024 0.000 0.747 895 K HN 0.059 nan 8.250 nan 0.000 0.467 896 R N -1.189 119.272 120.500 -0.065 0.000 2.084 896 R HA 0.015 4.355 4.340 -0.000 0.000 0.209 896 R C 1.438 177.529 176.300 -0.348 0.000 1.173 896 R CA 0.582 56.549 56.100 -0.222 0.000 1.053 896 R CB -0.042 30.110 30.300 -0.246 0.000 0.948 896 R HN 0.159 nan 8.270 nan 0.000 0.460 897 Y N 0.386 120.536 120.300 -0.250 0.000 2.523 897 Y HA 0.190 4.740 4.550 -0.000 0.000 0.279 897 Y C 0.617 176.548 175.900 0.052 0.000 1.139 897 Y CA -0.038 57.943 58.100 -0.198 0.000 1.296 897 Y CB -0.026 38.152 38.460 -0.470 0.000 1.045 897 Y HN -0.114 nan 8.280 nan 0.000 0.538 898 R N 1.159 121.803 120.500 0.240 0.000 2.389 898 R HA 0.402 4.742 4.340 -0.000 0.000 0.295 898 R C -1.498 174.785 176.300 -0.027 0.000 1.075 898 R CA -0.215 55.931 56.100 0.077 0.000 1.005 898 R CB 0.263 30.474 30.300 -0.148 0.000 0.987 898 R HN -0.095 nan 8.270 nan 0.000 0.452 899 V N 5.070 124.963 119.914 -0.036 0.000 2.488 899 V HA 0.249 4.369 4.120 -0.000 0.000 0.293 899 V C -1.108 174.963 176.094 -0.039 0.000 1.027 899 V CA -0.855 61.426 62.300 -0.030 0.000 0.862 899 V CB 1.696 33.510 31.823 -0.016 0.000 1.008 899 V HN 0.736 nan 8.190 nan 0.000 0.428 900 D N 4.273 124.664 120.400 -0.014 0.000 2.461 900 D HA 0.405 5.045 4.640 -0.000 0.000 0.240 900 D C 0.712 177.009 176.300 -0.007 0.000 1.094 900 D CA -0.308 53.679 54.000 -0.021 0.000 0.868 900 D CB 1.813 42.603 40.800 -0.016 0.000 1.062 900 D HN 0.391 nan 8.370 nan 0.000 0.530 901 L N 2.808 124.020 121.223 -0.017 0.000 2.313 901 L HA 0.050 4.390 4.340 -0.000 0.000 0.214 901 L C 1.528 178.387 176.870 -0.018 0.000 1.119 901 L CA 0.615 55.446 54.840 -0.016 0.000 0.809 901 L CB 0.008 42.056 42.059 -0.018 0.000 0.933 901 L HN 0.384 nan 8.230 nan 0.000 0.449 902 L N 0.336 121.543 121.223 -0.026 0.000 2.955 902 L HA 0.180 4.520 4.340 -0.000 0.000 0.238 902 L C -0.095 176.752 176.870 -0.039 0.000 1.359 902 L CA 0.146 54.968 54.840 -0.030 0.000 1.214 902 L CB -0.995 41.044 42.059 -0.034 0.000 1.600 902 L HN 0.286 nan 8.230 nan 0.000 0.442 903 N N -1.391 117.292 118.700 -0.029 0.000 2.666 903 N HA 0.079 4.819 4.740 -0.000 0.000 0.260 903 N C 0.397 175.906 175.510 -0.002 0.000 1.077 903 N CA -0.243 52.786 53.050 -0.035 0.000 1.026 903 N CB 1.551 39.993 38.487 -0.075 0.000 1.653 903 N HN -0.122 nan 8.380 nan 0.000 0.533 904 T N 0.615 115.166 114.554 -0.005 0.000 3.051 904 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 904 T C 0.183 174.908 174.700 0.042 0.000 1.127 904 T CA 0.925 63.032 62.100 0.011 0.000 1.107 904 T CB -0.051 68.818 68.868 0.001 0.000 0.898 904 T HN 0.508 nan 8.240 nan 0.000 0.517 905 D N -0.242 120.211 120.400 0.088 0.000 2.469 905 D HA 0.096 4.735 4.640 -0.000 0.000 0.213 905 D C 0.138 176.698 176.300 0.432 0.000 1.135 905 D CA 0.207 54.328 54.000 0.201 0.000 0.834 905 D CB 0.482 41.404 40.800 0.204 0.000 1.009 905 D HN 0.366 nan 8.370 nan 0.000 0.507 906 H N -0.854 118.191 119.070 -0.042 0.000 2.750 906 H HA 0.270 4.826 4.556 -0.000 0.000 0.239 906 H C -0.182 175.113 175.328 -0.056 0.000 1.210 906 H CA -0.247 55.769 56.048 -0.053 0.000 0.936 906 H CB 0.503 30.225 29.762 -0.066 0.000 2.074 906 H HN -0.196 nan 8.280 nan 0.000 0.622 907 T N 0.534 115.116 114.554 0.047 0.000 2.937 907 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 907 T C 0.110 174.798 174.700 -0.021 0.000 1.012 907 T CA -0.779 61.325 62.100 0.006 0.000 0.997 907 T CB 0.933 69.802 68.868 0.001 0.000 1.136 907 T HN 0.138 nan 8.240 nan 0.000 0.551 908 L N 2.887 124.093 121.223 -0.029 0.000 2.315 908 L HA 0.259 4.599 4.340 -0.000 0.000 0.283 908 L C 0.860 177.711 176.870 -0.031 0.000 1.089 908 L CA -0.595 54.221 54.840 -0.039 0.000 0.833 908 L CB 0.150 42.183 42.059 -0.043 0.000 1.170 908 L HN 0.656 nan 8.230 nan 0.000 0.442 909 D N 7.101 127.482 120.400 -0.031 0.000 2.472 909 D HA -0.018 4.622 4.640 -0.000 0.000 0.237 909 D C -1.512 174.776 176.300 -0.021 0.000 1.141 909 D CA -1.088 52.898 54.000 -0.023 0.000 0.875 909 D CB 1.535 42.321 40.800 -0.023 0.000 1.192 909 D HN 0.345 nan 8.370 nan 0.000 0.450 910 P HA -0.099 nan 4.420 nan 0.000 0.239 910 P C 1.018 178.311 177.300 -0.013 0.000 1.184 910 P CA 0.490 63.581 63.100 -0.016 0.000 0.760 910 P CB 0.004 31.696 31.700 -0.013 0.000 0.884 911 S N -0.941 114.752 115.700 -0.011 0.000 2.436 911 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 911 S C 1.824 176.422 174.600 -0.004 0.000 1.014 911 S CA 0.317 58.514 58.200 -0.005 0.000 0.950 911 S CB -1.142 62.056 63.200 -0.003 0.000 0.784 911 S HN 0.094 nan 8.310 nan 0.000 0.504 912 L N 0.214 121.430 121.223 -0.012 0.000 2.042 912 L HA 0.351 4.691 4.340 -0.000 0.000 0.204 912 L C 1.180 178.039 176.870 -0.018 0.000 1.130 912 L CA -0.175 54.657 54.840 -0.013 0.000 0.779 912 L CB -1.001 41.041 42.059 -0.028 0.000 0.918 912 L HN 0.279 nan 8.230 nan 0.000 0.450 913 L N 0.766 121.972 121.223 -0.029 0.000 2.467 913 L HA -0.019 4.321 4.340 -0.000 0.000 0.270 913 L C 1.216 178.070 176.870 -0.027 0.000 1.205 913 L CA 0.626 55.446 54.840 -0.035 0.000 0.828 913 L CB 0.407 42.441 42.059 -0.043 0.000 1.101 913 L HN 0.269 nan 8.230 nan 0.000 0.479 914 E N 0.597 120.780 120.200 -0.029 0.000 2.076 914 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 914 E C 0.923 177.510 176.600 -0.023 0.000 0.979 914 E CA 1.008 57.394 56.400 -0.023 0.000 0.807 914 E CB 0.134 29.819 29.700 -0.025 0.000 0.761 914 E HN 0.827 nan 8.360 nan 0.000 0.454 915 S N -0.635 115.048 115.700 -0.028 0.000 2.699 915 S HA 0.214 4.684 4.470 -0.000 0.000 0.251 915 S C 1.258 175.843 174.600 -0.025 0.000 1.179 915 S CA -0.102 58.082 58.200 -0.026 0.000 1.200 915 S CB 0.680 63.862 63.200 -0.029 0.000 0.848 915 S HN 0.289 nan 8.310 nan 0.000 0.472 916 G N 2.197 110.983 108.800 -0.024 0.000 2.421 916 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 916 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 916 G C 1.587 176.476 174.900 -0.018 0.000 1.143 916 G CA 0.769 45.856 45.100 -0.023 0.000 0.784 916 G HN 0.747 nan 8.290 nan 0.000 0.541 917 S N 1.341 117.031 115.700 -0.016 0.000 2.388 917 S HA -0.051 4.418 4.470 -0.000 0.000 0.223 917 S C 1.930 176.521 174.600 -0.014 0.000 1.034 917 S CA 1.198 59.390 58.200 -0.013 0.000 0.963 917 S CB -0.379 62.815 63.200 -0.011 0.000 0.827 917 S HN 0.633 nan 8.310 nan 0.000 0.481 918 E N 0.565 120.756 120.200 -0.015 0.000 2.512 918 E HA 0.224 4.573 4.350 -0.000 0.000 0.195 918 E C 1.536 178.126 176.600 -0.016 0.000 1.083 918 E CA 0.195 56.586 56.400 -0.015 0.000 0.873 918 E CB -0.314 29.377 29.700 -0.015 0.000 0.897 918 E HN 0.644 nan 8.360 nan 0.000 0.514 919 I N 0.361 120.920 120.570 -0.018 0.000 3.708 919 I HA 0.111 4.280 4.170 -0.000 0.000 0.302 919 I C 0.711 176.817 176.117 -0.018 0.000 1.255 919 I CA -0.336 60.952 61.300 -0.020 0.000 1.362 919 I CB 0.605 38.591 38.000 -0.024 0.000 1.100 919 I HN 0.185 nan 8.210 nan 0.000 0.434 920 L N 2.191 123.405 121.223 -0.016 0.000 2.601 920 L HA 0.014 4.354 4.340 -0.000 0.000 0.277 920 L C 1.219 178.080 176.870 -0.015 0.000 1.219 920 L CA 1.223 56.054 54.840 -0.015 0.000 0.915 920 L CB 0.204 42.255 42.059 -0.013 0.000 1.160 920 L HN 0.573 nan 8.230 nan 0.000 0.494 921 G N 2.733 111.523 108.800 -0.016 0.000 2.168 921 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 921 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 921 G C 0.342 175.233 174.900 -0.016 0.000 0.977 921 G CA 0.338 45.428 45.100 -0.017 0.000 0.659 921 G HN 0.811 nan 8.290 nan 0.000 0.533 922 D N 0.812 121.202 120.400 -0.016 0.000 2.398 922 D HA 0.239 4.879 4.640 -0.000 0.000 0.250 922 D C 1.962 178.253 176.300 -0.015 0.000 1.287 922 D CA -0.202 53.789 54.000 -0.015 0.000 0.992 922 D CB -0.158 40.632 40.800 -0.016 0.000 1.071 922 D HN 0.314 nan 8.370 nan 0.000 0.514 923 L N 3.458 124.673 121.223 -0.014 0.000 2.089 923 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 923 L C 2.537 179.401 176.870 -0.011 0.000 1.079 923 L CA 1.165 55.997 54.840 -0.013 0.000 0.758 923 L CB -0.163 41.888 42.059 -0.012 0.000 0.891 923 L HN 0.323 nan 8.230 nan 0.000 0.433 924 K N -0.175 120.219 120.400 -0.011 0.000 2.074 924 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 924 K C 1.998 178.592 176.600 -0.009 0.000 1.048 924 K CA 1.368 57.649 56.287 -0.010 0.000 0.926 924 K CB -0.348 32.146 32.500 -0.010 0.000 0.713 924 K HN 0.392 nan 8.250 nan 0.000 0.444 925 L N 0.687 121.903 121.223 -0.012 0.000 2.095 925 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 925 L C 2.483 179.349 176.870 -0.008 0.000 1.080 925 L CA 0.720 55.553 54.840 -0.012 0.000 0.759 925 L CB -0.546 41.503 42.059 -0.017 0.000 0.914 925 L HN 0.134 nan 8.230 nan 0.000 0.439 926 Q N 0.188 119.982 119.800 -0.010 0.000 2.325 926 Q HA -0.173 4.167 4.340 -0.000 0.000 0.211 926 Q C 2.270 178.270 176.000 -0.001 0.000 0.988 926 Q CA 1.246 57.044 55.803 -0.009 0.000 0.887 926 Q CB -0.468 28.260 28.738 -0.016 0.000 0.915 926 Q HN 0.392 nan 8.270 nan 0.000 0.440 927 V N 0.363 120.277 119.914 -0.000 0.000 2.358 927 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 927 V C 2.368 178.470 176.094 0.013 0.000 1.047 927 V CA 1.269 63.572 62.300 0.005 0.000 1.035 927 V CB -0.508 31.317 31.823 0.002 0.000 0.658 927 V HN 0.273 nan 8.190 nan 0.000 0.452 928 L N -0.765 120.463 121.223 0.009 0.000 2.027 928 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 928 L C 2.472 179.359 176.870 0.028 0.000 1.074 928 L CA 1.214 56.062 54.840 0.014 0.000 0.745 928 L CB -0.561 41.500 42.059 0.005 0.000 0.898 928 L HN 0.276 nan 8.230 nan 0.000 0.433 929 L N -0.320 120.917 121.223 0.024 0.000 2.127 929 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 929 L C 2.167 179.081 176.870 0.074 0.000 1.089 929 L CA 1.606 56.471 54.840 0.041 0.000 0.757 929 L CB -1.050 41.020 42.059 0.018 0.000 0.899 929 L HN 0.347 nan 8.230 nan 0.000 0.434 930 D N -0.229 120.203 120.400 0.053 0.000 2.123 930 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 930 D C 2.096 178.460 176.300 0.107 0.000 0.976 930 D CA 0.835 54.880 54.000 0.074 0.000 0.831 930 D CB 0.153 40.975 40.800 0.038 0.000 0.974 930 D HN 0.312 nan 8.370 nan 0.000 0.469 931 E N 0.597 120.838 120.200 0.068 0.000 2.038 931 E HA -0.233 4.116 4.350 -0.000 0.000 0.195 931 E C 1.936 178.578 176.600 0.070 0.000 1.000 931 E CA 1.275 57.709 56.400 0.057 0.000 0.803 931 E CB 0.042 29.761 29.700 0.033 0.000 0.750 931 E HN 0.328 nan 8.360 nan 0.000 0.448 932 E N -0.244 120.002 120.200 0.076 0.000 2.021 932 E HA -0.290 4.060 4.350 -0.000 0.000 0.200 932 E C 2.052 178.715 176.600 0.105 0.000 1.015 932 E CA 1.598 58.044 56.400 0.078 0.000 0.824 932 E CB -0.476 29.274 29.700 0.083 0.000 0.762 932 E HN 0.404 nan 8.360 nan 0.000 0.454 933 Y N 1.141 121.461 120.300 0.033 0.000 2.315 933 Y HA -0.180 4.369 4.550 -0.000 0.000 0.288 933 Y C 2.303 178.247 175.900 0.073 0.000 1.154 933 Y CA 2.008 60.137 58.100 0.049 0.000 1.229 933 Y CB 0.053 38.538 38.460 0.042 0.000 0.980 933 Y HN 0.023 nan 8.280 nan 0.000 0.540 934 K N -0.280 120.234 120.400 0.191 0.000 2.103 934 K HA -0.231 4.089 4.320 -0.000 0.000 0.204 934 K C 2.166 178.780 176.600 0.024 0.000 1.052 934 K CA 1.379 57.740 56.287 0.125 0.000 0.945 934 K CB -0.057 32.504 32.500 0.102 0.000 0.722 934 K HN 0.295 nan 8.250 nan 0.000 0.443 935 Q N 1.151 120.954 119.800 0.005 0.000 2.016 935 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 935 Q C 1.950 177.913 176.000 -0.063 0.000 0.978 935 Q CA 1.674 57.458 55.803 -0.032 0.000 0.833 935 Q CB -0.326 28.396 28.738 -0.027 0.000 0.895 935 Q HN 0.335 nan 8.270 nan 0.000 0.427 936 L N -0.311 120.863 121.223 -0.081 0.000 2.021 936 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 936 L C 2.423 179.262 176.870 -0.052 0.000 1.074 936 L CA 1.498 56.272 54.840 -0.110 0.000 0.760 936 L CB -1.016 40.910 42.059 -0.222 0.000 0.889 936 L HN 0.211 nan 8.230 nan 0.000 0.433 937 V N 0.198 120.070 119.914 -0.071 0.000 2.515 937 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 937 V C 2.715 178.725 176.094 -0.140 0.000 1.058 937 V CA 1.942 64.163 62.300 -0.131 0.000 1.064 937 V CB -0.303 31.472 31.823 -0.081 0.000 0.675 937 V HN 0.475 nan 8.190 nan 0.000 0.461 938 K N -0.390 119.962 120.400 -0.079 0.000 2.025 938 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 938 K C 1.820 178.393 176.600 -0.045 0.000 1.049 938 K CA 2.030 58.284 56.287 -0.055 0.000 0.933 938 K CB -0.376 32.096 32.500 -0.047 0.000 0.714 938 K HN 0.446 nan 8.250 nan 0.000 0.438 939 D N 0.750 121.110 120.400 -0.066 0.000 2.127 939 D HA -0.235 4.405 4.640 -0.000 0.000 0.190 939 D C 1.997 178.301 176.300 0.006 0.000 1.000 939 D CA 1.401 55.377 54.000 -0.041 0.000 0.839 939 D CB -0.365 40.392 40.800 -0.071 0.000 0.955 939 D HN 0.283 nan 8.370 nan 0.000 0.446 940 R N 0.604 121.046 120.500 -0.096 0.000 2.133 940 R HA -0.188 4.151 4.340 -0.000 0.000 0.247 940 R C 1.900 178.139 176.300 -0.101 0.000 1.151 940 R CA 1.484 57.489 56.100 -0.158 0.000 0.971 940 R CB 0.184 30.219 30.300 -0.442 0.000 0.866 940 R HN 0.040 nan 8.270 nan 0.000 0.447 941 K N -0.316 120.034 120.400 -0.083 0.000 2.031 941 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 941 K C 1.879 178.467 176.600 -0.021 0.000 1.049 941 K CA 1.255 57.506 56.287 -0.060 0.000 0.939 941 K CB -0.652 31.815 32.500 -0.055 0.000 0.717 941 K HN 0.216 nan 8.250 nan 0.000 0.438 942 F N 2.370 122.246 119.950 -0.123 0.000 2.126 942 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 942 F C 1.962 177.660 175.800 -0.170 0.000 1.096 942 F CA 1.309 59.227 58.000 -0.138 0.000 1.255 942 F CB -0.182 38.738 39.000 -0.133 0.000 0.997 942 F HN -0.122 nan 8.300 nan 0.000 0.479 943 L N 0.056 121.314 121.223 0.057 0.000 2.017 943 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 943 L C 2.535 179.306 176.870 -0.165 0.000 1.073 943 L CA 1.441 56.237 54.840 -0.073 0.000 0.745 943 L CB -0.785 41.334 42.059 0.100 0.000 0.894 943 L HN 0.064 nan 8.230 nan 0.000 0.432 944 R N -0.059 120.402 120.500 -0.064 0.000 2.293 944 R HA -0.152 4.188 4.340 -0.000 0.000 0.219 944 R C 1.921 178.155 176.300 -0.110 0.000 1.091 944 R CA 0.837 56.937 56.100 -0.001 0.000 1.004 944 R CB -0.108 30.224 30.300 0.053 0.000 0.865 944 R HN 0.527 nan 8.270 nan 0.000 0.469 945 E N -0.259 119.777 120.200 -0.274 0.000 2.102 945 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 945 E C 1.937 178.267 176.600 -0.451 0.000 0.971 945 E CA 0.601 56.796 56.400 -0.342 0.000 0.821 945 E CB 0.309 29.753 29.700 -0.426 0.000 0.777 945 E HN 0.044 nan 8.360 nan 0.000 0.460 946 V N 0.569 120.059 119.914 -0.706 0.000 2.283 946 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 946 V C 0.906 176.563 176.094 -0.728 0.000 1.039 946 V CA 1.377 63.151 62.300 -0.877 0.000 1.016 946 V CB -0.184 30.833 31.823 -1.343 0.000 0.650 946 V HN 0.161 nan 8.190 nan 0.000 0.449 947 F N -0.318 119.432 119.950 -0.334 0.000 2.461 947 F HA 0.320 4.846 4.527 -0.000 0.000 0.321 947 F C 1.297 177.031 175.800 -0.110 0.000 1.203 947 F CA -0.591 57.261 58.000 -0.246 0.000 1.238 947 F CB 0.188 39.019 39.000 -0.282 0.000 1.528 947 F HN -0.151 nan 8.300 nan 0.000 0.554 948 V N 0.105 120.034 119.914 0.025 0.000 2.252 948 V HA -0.435 3.685 4.120 -0.000 0.000 0.255 948 V C 2.401 178.584 176.094 0.148 0.000 1.071 948 V CA 2.447 64.776 62.300 0.048 0.000 1.050 948 V CB -0.461 31.354 31.823 -0.015 0.000 0.654 948 V HN 0.625 nan 8.190 nan 0.000 0.448 949 D N 0.313 120.780 120.400 0.112 0.000 2.248 949 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 949 D C 1.709 178.014 176.300 0.009 0.000 1.013 949 D CA 2.635 56.688 54.000 0.089 0.000 0.883 949 D CB -0.523 40.331 40.800 0.090 0.000 0.915 949 D HN 0.736 nan 8.370 nan 0.000 0.448 950 G N -0.549 108.188 108.800 -0.105 0.000 2.195 950 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.224 950 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.224 950 G C 0.119 174.803 174.900 -0.359 0.000 0.990 950 G CA 0.496 45.179 45.100 -0.694 0.000 0.639 950 G HN 0.582 nan 8.290 nan 0.000 0.514 951 E N 1.185 121.327 120.200 -0.097 0.000 2.606 951 E HA 0.518 4.868 4.350 -0.000 0.000 0.248 951 E C 1.235 177.896 176.600 0.101 0.000 1.005 951 E CA 0.992 57.376 56.400 -0.026 0.000 0.946 951 E CB 0.577 30.305 29.700 0.046 0.000 0.928 951 E HN 0.834 nan 8.360 nan 0.000 0.494 952 A N 5.189 128.005 122.820 -0.008 0.000 2.308 952 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 952 A C 0.062 177.697 177.584 0.085 0.000 1.216 952 A CA -0.246 51.832 52.037 0.069 0.000 0.864 952 A CB 0.049 19.057 19.000 0.013 0.000 0.902 952 A HN 0.535 nan 8.150 nan 0.000 0.499 953 N N 0.006 118.594 118.700 -0.187 0.000 2.444 953 N HA 0.433 5.173 4.740 -0.000 0.000 0.262 953 N C -1.812 173.240 175.510 -0.763 0.000 0.974 953 N CA 0.115 52.992 53.050 -0.290 0.000 0.933 953 N CB 0.882 39.199 38.487 -0.282 0.000 1.137 953 N HN 0.378 nan 8.380 nan 0.000 0.498 954 W N 2.193 123.391 121.300 -0.170 0.000 3.129 954 W HA 0.353 5.012 4.660 -0.000 0.000 0.333 954 W C -2.198 174.306 176.519 -0.025 0.000 1.141 954 W CA -1.619 55.639 57.345 -0.144 0.000 1.224 954 W CB 1.209 30.537 29.460 -0.221 0.000 1.393 954 W HN 0.289 nan 8.180 nan 0.000 0.499 955 P HA 0.173 nan 4.420 nan 0.000 0.266 955 P C -0.804 176.620 177.300 0.206 0.000 1.215 955 P CA 0.613 63.816 63.100 0.172 0.000 0.763 955 P CB 1.094 32.912 31.700 0.196 0.000 0.806 956 L N 5.683 127.019 121.223 0.189 0.000 2.434 956 L HA 0.487 4.827 4.340 -0.000 0.000 0.260 956 L C -2.164 174.809 176.870 0.171 0.000 0.983 956 L CA -2.733 52.235 54.840 0.213 0.000 0.820 956 L CB 3.082 45.322 42.059 0.302 0.000 1.361 956 L HN 0.190 nan 8.230 nan 0.000 0.410 957 P HA 0.015 nan 4.420 nan 0.000 0.272 957 P C -0.452 176.891 177.300 0.072 0.000 1.248 957 P CA 0.029 63.105 63.100 -0.041 0.000 0.799 957 P CB 0.555 32.050 31.700 -0.342 0.000 0.997 958 V N -1.350 118.577 119.914 0.022 0.000 4.955 958 V HA -0.233 3.886 4.120 -0.000 0.000 0.387 958 V C 0.774 176.977 176.094 0.181 0.000 0.686 958 V CA 0.436 62.808 62.300 0.121 0.000 1.517 958 V CB -2.108 29.855 31.823 0.233 0.000 1.817 958 V HN 0.877 nan 8.190 nan 0.000 0.470 959 N N 4.657 123.412 118.700 0.093 0.000 2.416 959 N HA 0.214 4.954 4.740 -0.000 0.000 0.265 959 N C 0.868 176.406 175.510 0.048 0.000 1.195 959 N CA 0.093 53.181 53.050 0.064 0.000 0.943 959 N CB 0.875 39.365 38.487 0.006 0.000 1.115 959 N HN 0.698 nan 8.380 nan 0.000 0.481 960 I N 3.170 123.774 120.570 0.057 0.000 2.480 960 I HA -0.121 4.048 4.170 -0.000 0.000 0.251 960 I C 2.448 178.537 176.117 -0.046 0.000 1.124 960 I CA 0.214 61.521 61.300 0.011 0.000 1.444 960 I CB -0.136 37.872 38.000 0.015 0.000 1.098 960 I HN 0.574 nan 8.210 nan 0.000 0.428 961 R N 1.606 122.084 120.500 -0.037 0.000 2.113 961 R HA -0.221 4.119 4.340 -0.000 0.000 0.244 961 R C 2.403 178.640 176.300 -0.106 0.000 1.142 961 R CA 1.862 57.918 56.100 -0.074 0.000 0.953 961 R CB -0.155 30.120 30.300 -0.042 0.000 0.860 961 R HN 0.284 nan 8.270 nan 0.000 0.438 962 R N 0.156 120.610 120.500 -0.075 0.000 2.062 962 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 962 R C 2.447 178.721 176.300 -0.044 0.000 1.128 962 R CA 1.376 57.431 56.100 -0.075 0.000 0.960 962 R CB -0.495 29.782 30.300 -0.040 0.000 0.855 962 R HN 0.320 nan 8.270 nan 0.000 0.432 963 I N 0.984 121.532 120.570 -0.037 0.000 2.730 963 I HA -0.289 3.881 4.170 -0.000 0.000 0.266 963 I C 1.555 177.682 176.117 0.016 0.000 1.228 963 I CA 1.303 62.583 61.300 -0.034 0.000 1.445 963 I CB 0.133 38.090 38.000 -0.070 0.000 1.102 963 I HN 0.243 nan 8.210 nan 0.000 0.464 964 I N -0.846 119.698 120.570 -0.043 0.000 3.616 964 I HA -0.134 4.036 4.170 -0.000 0.000 0.296 964 I C 2.180 178.281 176.117 -0.027 0.000 1.226 964 I CA 0.225 61.484 61.300 -0.069 0.000 1.394 964 I CB 0.038 37.824 38.000 -0.357 0.000 1.171 964 I HN 0.137 nan 8.210 nan 0.000 0.442 965 Q N 0.861 120.609 119.800 -0.086 0.000 2.084 965 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 965 Q C 1.756 177.764 176.000 0.013 0.000 0.978 965 Q CA 1.441 57.170 55.803 -0.123 0.000 0.844 965 Q CB -0.125 28.374 28.738 -0.398 0.000 0.898 965 Q HN 0.491 nan 8.270 nan 0.000 0.426 966 N N 0.793 119.549 118.700 0.093 0.000 2.188 966 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 966 N C 1.738 177.314 175.510 0.111 0.000 1.018 966 N CA 1.241 54.388 53.050 0.162 0.000 0.858 966 N CB -0.382 38.290 38.487 0.308 0.000 0.989 966 N HN 0.223 nan 8.380 nan 0.000 0.426 967 A N 1.846 124.868 122.820 0.338 0.000 1.892 967 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 967 A C 2.234 179.881 177.584 0.106 0.000 1.188 967 A CA 1.544 53.744 52.037 0.272 0.000 0.631 967 A CB -0.734 18.539 19.000 0.455 0.000 0.822 967 A HN 0.346 nan 8.150 nan 0.000 0.447 968 Q N -1.244 118.611 119.800 0.092 0.000 1.975 968 Q HA -0.288 4.052 4.340 -0.000 0.000 0.205 968 Q C 2.430 178.426 176.000 -0.006 0.000 0.990 968 Q CA 1.925 57.772 55.803 0.074 0.000 0.845 968 Q CB -0.305 28.488 28.738 0.091 0.000 0.913 968 Q HN 0.832 nan 8.270 nan 0.000 0.420 969 Q N -0.119 119.667 119.800 -0.023 0.000 2.170 969 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 969 Q C 1.945 177.730 176.000 -0.358 0.000 0.976 969 Q CA 1.549 57.301 55.803 -0.085 0.000 0.858 969 Q CB 0.080 28.830 28.738 0.020 0.000 0.907 969 Q HN 0.325 nan 8.270 nan 0.000 0.433 970 T N -0.206 114.054 114.554 -0.490 0.000 2.759 970 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 970 T C 0.486 174.490 174.700 -1.161 0.000 1.042 970 T CA 1.248 62.809 62.100 -0.900 0.000 1.140 970 T CB -0.123 67.901 68.868 -1.406 0.000 0.864 970 T HN 0.286 nan 8.240 nan 0.000 0.455 971 F N 0.041 119.653 119.950 -0.562 0.000 2.668 971 F HA 0.299 4.825 4.527 -0.000 0.000 0.301 971 F C 0.536 176.138 175.800 -0.329 0.000 1.106 971 F CA -0.684 57.041 58.000 -0.459 0.000 1.289 971 F CB -0.115 38.710 39.000 -0.291 0.000 1.006 971 F HN 0.157 nan 8.300 nan 0.000 0.535 972 H N -0.375 118.705 119.070 0.017 0.000 2.684 972 H HA -0.211 4.345 4.556 -0.000 0.000 0.309 972 H C 0.680 175.999 175.328 -0.014 0.000 1.102 972 H CA 0.442 56.486 56.048 -0.007 0.000 1.147 972 H CB -2.023 27.730 29.762 -0.015 0.000 1.391 972 H HN 0.356 nan 8.280 nan 0.000 0.398 973 I N 3.256 123.860 120.570 0.057 0.000 2.872 973 I HA -0.131 4.039 4.170 -0.000 0.000 0.287 973 I C 1.088 177.124 176.117 -0.135 0.000 1.197 973 I CA 0.764 62.065 61.300 0.001 0.000 1.390 973 I CB 0.147 38.165 38.000 0.030 0.000 1.400 973 I HN 0.212 nan 8.210 nan 0.000 0.544 974 D N 7.300 127.638 120.400 -0.103 0.000 2.277 974 D HA 0.016 4.656 4.640 -0.000 0.000 0.249 974 D C 0.760 176.982 176.300 -0.130 0.000 1.134 974 D CA -0.361 53.538 54.000 -0.169 0.000 0.863 974 D CB 0.866 41.634 40.800 -0.054 0.000 1.143 974 D HN 0.449 nan 8.370 nan 0.000 0.458 975 H N 1.989 121.092 119.070 0.054 0.000 2.568 975 H HA -0.015 4.541 4.556 -0.000 0.000 0.275 975 H C 1.044 176.390 175.328 0.030 0.000 1.028 975 H CA 0.725 56.800 56.048 0.045 0.000 1.173 975 H CB -0.312 29.479 29.762 0.047 0.000 1.335 975 H HN 0.522 nan 8.280 nan 0.000 0.614 976 T N -0.736 113.873 114.554 0.091 0.000 2.815 976 T HA 0.021 4.371 4.350 -0.000 0.000 0.244 976 T C 1.221 175.945 174.700 0.041 0.000 1.040 976 T CA -0.065 62.071 62.100 0.061 0.000 1.176 976 T CB 0.674 69.565 68.868 0.039 0.000 0.880 976 T HN 0.139 nan 8.240 nan 0.000 0.414 977 K N 2.262 122.678 120.400 0.028 0.000 2.159 977 K HA 0.190 4.509 4.320 -0.000 0.000 0.242 977 K C -2.351 174.261 176.600 0.021 0.000 1.043 977 K CA -1.049 55.249 56.287 0.019 0.000 0.856 977 K CB -0.270 32.237 32.500 0.012 0.000 1.072 977 K HN 0.261 nan 8.250 nan 0.000 0.514 978 P HA 0.078 nan 4.420 nan 0.000 0.293 978 P C -0.455 176.845 177.300 -0.001 0.000 1.291 978 P CA -0.419 62.684 63.100 0.005 0.000 0.867 978 P CB 1.762 33.460 31.700 -0.003 0.000 1.074 979 S N 1.056 116.753 115.700 -0.004 0.000 2.632 979 S HA 0.089 4.559 4.470 -0.000 0.000 0.254 979 S C 0.428 175.011 174.600 -0.028 0.000 1.291 979 S CA 0.296 58.488 58.200 -0.014 0.000 0.974 979 S CB -0.281 62.908 63.200 -0.020 0.000 1.016 979 S HN 0.659 nan 8.310 nan 0.000 0.579 980 D N 0.412 120.787 120.400 -0.043 0.000 2.914 980 D HA 0.181 4.821 4.640 -0.000 0.000 0.349 980 D C -0.720 175.537 176.300 -0.071 0.000 1.540 980 D CA -0.186 53.785 54.000 -0.048 0.000 0.778 980 D CB -0.883 39.893 40.800 -0.039 0.000 1.213 980 D HN 0.296 nan 8.370 nan 0.000 0.451 981 L N 1.174 122.339 121.223 -0.097 0.000 2.289 981 L HA 0.363 4.703 4.340 -0.000 0.000 0.285 981 L C 0.497 177.284 176.870 -0.139 0.000 1.049 981 L CA -0.310 54.436 54.840 -0.158 0.000 0.804 981 L CB 1.743 43.656 42.059 -0.243 0.000 1.195 981 L HN -0.139 nan 8.230 nan 0.000 0.428 982 T N 2.593 117.066 114.554 -0.135 0.000 2.913 982 T HA 0.164 4.513 4.350 -0.000 0.000 0.297 982 T C 1.435 176.063 174.700 -0.119 0.000 1.029 982 T CA -0.364 61.675 62.100 -0.102 0.000 1.104 982 T CB 1.293 70.113 68.868 -0.081 0.000 0.964 982 T HN 0.472 nan 8.240 nan 0.000 0.532 983 I N 0.912 121.430 120.570 -0.086 0.000 3.010 983 I HA -0.100 4.070 4.170 -0.000 0.000 0.271 983 I C 2.239 178.312 176.117 -0.073 0.000 1.293 983 I CA 1.202 62.454 61.300 -0.079 0.000 1.452 983 I CB -0.066 37.902 38.000 -0.053 0.000 1.082 983 I HN 0.625 nan 8.210 nan 0.000 0.484 984 K N 0.039 120.395 120.400 -0.073 0.000 2.308 984 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 984 K C 1.570 178.125 176.600 -0.075 0.000 1.049 984 K CA 0.325 56.578 56.287 -0.056 0.000 0.991 984 K CB 0.250 32.726 32.500 -0.041 0.000 0.836 984 K HN 0.100 nan 8.250 nan 0.000 0.500 985 D N 1.322 121.650 120.400 -0.121 0.000 2.088 985 D HA -0.166 4.474 4.640 -0.000 0.000 0.191 985 D C 1.848 178.000 176.300 -0.247 0.000 0.992 985 D CA 1.334 55.232 54.000 -0.170 0.000 0.831 985 D CB -0.136 40.517 40.800 -0.245 0.000 0.973 985 D HN 0.155 nan 8.370 nan 0.000 0.447 986 I N 0.384 120.721 120.570 -0.388 0.000 2.052 986 I HA -0.296 3.874 4.170 -0.000 0.000 0.235 986 I C 2.624 178.712 176.117 -0.049 0.000 1.046 986 I CA 0.886 61.937 61.300 -0.414 0.000 1.308 986 I CB -0.728 37.090 38.000 -0.304 0.000 1.031 986 I HN -0.088 nan 8.210 nan 0.000 0.395 987 V N 1.205 121.099 119.914 -0.034 0.000 2.250 987 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 987 V C 2.294 178.410 176.094 0.038 0.000 1.060 987 V CA 2.101 64.413 62.300 0.019 0.000 1.030 987 V CB -0.416 31.409 31.823 0.003 0.000 0.643 987 V HN 0.365 nan 8.190 nan 0.000 0.445 988 L N -0.449 120.786 121.223 0.020 0.000 2.552 988 L HA 0.086 4.425 4.340 -0.000 0.000 0.227 988 L C 2.263 179.170 176.870 0.062 0.000 1.146 988 L CA 0.803 55.661 54.840 0.030 0.000 0.858 988 L CB -0.672 41.394 42.059 0.012 0.000 0.969 988 L HN 0.452 nan 8.230 nan 0.000 0.451 989 G N -0.380 108.489 108.800 0.116 0.000 2.447 989 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.211 989 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.211 989 G C 1.492 176.502 174.900 0.183 0.000 1.184 989 G CA 0.543 45.767 45.100 0.208 0.000 0.813 989 G HN 0.122 nan 8.290 nan 0.000 0.540 990 V N 1.167 121.212 119.914 0.219 0.000 2.407 990 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 990 V C 2.599 178.726 176.094 0.055 0.000 1.055 990 V CA 2.182 64.559 62.300 0.129 0.000 1.049 990 V CB -0.498 31.417 31.823 0.153 0.000 0.662 990 V HN 0.400 nan 8.190 nan 0.000 0.455 991 K N 0.145 120.577 120.400 0.053 0.000 2.097 991 K HA -0.253 4.066 4.320 -0.000 0.000 0.206 991 K C 2.086 178.691 176.600 0.009 0.000 1.049 991 K CA 1.824 58.123 56.287 0.020 0.000 0.933 991 K CB -0.287 32.224 32.500 0.018 0.000 0.717 991 K HN 0.512 nan 8.250 nan 0.000 0.442 992 D N 0.517 120.932 120.400 0.025 0.000 2.149 992 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 992 D C 2.016 178.315 176.300 -0.003 0.000 0.972 992 D CA 0.696 54.704 54.000 0.014 0.000 0.835 992 D CB 0.101 40.919 40.800 0.030 0.000 0.966 992 D HN 0.215 nan 8.370 nan 0.000 0.476 993 L N 1.385 122.609 121.223 0.001 0.000 2.012 993 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 993 L C 2.295 179.131 176.870 -0.056 0.000 1.073 993 L CA 1.798 56.621 54.840 -0.027 0.000 0.748 993 L CB -0.980 41.061 42.059 -0.030 0.000 0.891 993 L HN 0.011 nan 8.230 nan 0.000 0.431 994 Q N -0.471 119.299 119.800 -0.050 0.000 2.112 994 Q HA -0.238 4.101 4.340 -0.000 0.000 0.206 994 Q C 2.025 177.972 176.000 -0.089 0.000 0.987 994 Q CA 1.703 57.464 55.803 -0.070 0.000 0.858 994 Q CB -0.394 28.312 28.738 -0.053 0.000 0.905 994 Q HN 0.590 nan 8.270 nan 0.000 0.420 995 E N 0.366 120.528 120.200 -0.062 0.000 2.393 995 E HA -0.137 4.213 4.350 -0.000 0.000 0.201 995 E C 0.992 177.547 176.600 -0.074 0.000 1.025 995 E CA 0.707 57.072 56.400 -0.057 0.000 0.856 995 E CB -0.046 29.632 29.700 -0.036 0.000 0.771 995 E HN 0.390 nan 8.360 nan 0.000 0.526 996 N N -0.257 118.382 118.700 -0.101 0.000 2.197 996 N HA 0.058 4.797 4.740 -0.000 0.000 0.201 996 N C 0.459 175.847 175.510 -0.203 0.000 1.148 996 N CA -0.008 52.974 53.050 -0.113 0.000 0.883 996 N CB 0.659 39.097 38.487 -0.081 0.000 1.012 996 N HN 0.130 nan 8.380 nan 0.000 0.507 997 L N 2.110 123.112 121.223 -0.368 0.000 2.544 997 L HA 0.155 4.494 4.340 -0.000 0.000 0.240 997 L C -0.273 176.296 176.870 -0.502 0.000 1.421 997 L CA -0.186 54.116 54.840 -0.896 0.000 1.206 997 L CB -0.845 40.454 42.059 -1.266 0.000 1.463 997 L HN -0.142 nan 8.230 nan 0.000 0.437 998 L N 0.885 122.030 121.223 -0.129 0.000 2.418 998 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 998 L C 0.971 177.963 176.870 0.203 0.000 1.135 998 L CA 0.563 55.429 54.840 0.043 0.000 0.870 998 L CB 1.345 43.418 42.059 0.023 0.000 1.154 998 L HN 0.136 nan 8.230 nan 0.000 0.462 999 V N 3.793 123.814 119.914 0.177 0.000 2.743 999 V HA 0.214 4.333 4.120 -0.000 0.000 0.237 999 V C 0.675 176.829 176.094 0.099 0.000 1.113 999 V CA 0.373 62.773 62.300 0.167 0.000 1.141 999 V CB 0.310 32.242 31.823 0.183 0.000 0.873 999 V HN 0.459 nan 8.190 nan 0.000 0.486 1000 L N -0.862 120.410 121.223 0.082 0.000 2.376 1000 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 1000 L C 1.044 177.942 176.870 0.047 0.000 1.035 1000 L CA -0.234 54.645 54.840 0.067 0.000 0.800 1000 L CB 1.315 43.413 42.059 0.064 0.000 1.290 1000 L HN -0.014 nan 8.230 nan 0.000 0.462 1001 R N -0.455 120.069 120.500 0.040 0.000 2.716 1001 R HA 0.183 4.523 4.340 -0.000 0.000 0.186 1001 R C 0.544 176.855 176.300 0.018 0.000 0.830 1001 R CA 0.174 56.289 56.100 0.025 0.000 1.059 1001 R CB 0.252 30.564 30.300 0.019 0.000 1.531 1001 R HN 0.792 nan 8.270 nan 0.000 0.633 1002 G N 2.342 111.156 108.800 0.023 0.000 2.638 1002 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.227 1002 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.227 1002 G C -0.479 174.427 174.900 0.010 0.000 1.096 1002 G CA 0.190 45.301 45.100 0.018 0.000 0.866 1002 G HN 0.153 nan 8.290 nan 0.000 0.493 1003 K N 2.282 122.686 120.400 0.007 0.000 2.229 1003 K HA 0.236 4.556 4.320 -0.000 0.000 0.247 1003 K C -0.012 176.590 176.600 0.002 0.000 1.117 1003 K CA -0.233 56.055 56.287 0.002 0.000 1.036 1003 K CB 0.105 32.606 32.500 0.000 0.000 1.654 1003 K HN 0.788 nan 8.250 nan 0.000 0.405 1004 N N -0.983 117.717 118.700 0.001 0.000 3.521 1004 N HA -0.023 4.717 4.740 -0.000 0.000 0.228 1004 N C -0.011 175.497 175.510 -0.004 0.000 1.328 1004 N CA -0.597 52.453 53.050 -0.001 0.000 0.907 1004 N CB 0.617 39.105 38.487 0.002 0.000 1.487 1004 N HN -0.133 nan 8.380 nan 0.000 0.503 1005 E N 0.715 120.910 120.200 -0.008 0.000 2.038 1005 E HA 0.046 4.395 4.350 -0.000 0.000 0.195 1005 E C 1.315 177.905 176.600 -0.018 0.000 1.000 1005 E CA 1.704 58.096 56.400 -0.013 0.000 0.803 1005 E CB -0.329 29.362 29.700 -0.015 0.000 0.750 1005 E HN 0.670 nan 8.360 nan 0.000 0.448 1006 I N 0.430 120.988 120.570 -0.019 0.000 2.118 1006 I HA -0.315 3.854 4.170 -0.000 0.000 0.241 1006 I C 2.034 178.136 176.117 -0.025 0.000 1.070 1006 I CA 0.914 62.196 61.300 -0.031 0.000 1.327 1006 I CB -0.434 37.547 38.000 -0.032 0.000 1.034 1006 I HN 0.150 nan 8.210 nan 0.000 0.405 1007 I N 0.314 120.880 120.570 -0.007 0.000 2.179 1007 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 1007 I C 2.661 178.781 176.117 0.005 0.000 1.088 1007 I CA 1.527 62.831 61.300 0.007 0.000 1.357 1007 I CB -1.519 36.492 38.000 0.019 0.000 1.051 1007 I HN 0.356 nan 8.210 nan 0.000 0.409 1008 Q N 0.590 120.389 119.800 -0.001 0.000 2.135 1008 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 1008 Q C 2.020 178.015 176.000 -0.009 0.000 0.981 1008 Q CA 1.113 56.914 55.803 -0.004 0.000 0.856 1008 Q CB -0.498 28.235 28.738 -0.008 0.000 0.902 1008 Q HN 0.564 nan 8.270 nan 0.000 0.425 1009 N N 0.359 119.049 118.700 -0.016 0.000 2.106 1009 N HA -0.098 4.641 4.740 -0.000 0.000 0.188 1009 N C 1.710 177.209 175.510 -0.019 0.000 1.029 1009 N CA 1.239 54.275 53.050 -0.023 0.000 0.848 1009 N CB -0.080 38.388 38.487 -0.032 0.000 1.007 1009 N HN 0.207 nan 8.380 nan 0.000 0.423 1010 A N 1.331 124.141 122.820 -0.016 0.000 1.917 1010 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 1010 A C 2.216 179.811 177.584 0.018 0.000 1.182 1010 A CA 2.067 54.101 52.037 -0.004 0.000 0.633 1010 A CB -0.782 18.222 19.000 0.007 0.000 0.819 1010 A HN 0.384 nan 8.150 nan 0.000 0.448 1011 Q N -0.046 119.766 119.800 0.020 0.000 2.030 1011 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 1011 Q C 2.172 178.184 176.000 0.021 0.000 0.986 1011 Q CA 2.365 58.186 55.803 0.030 0.000 0.843 1011 Q CB -0.430 28.321 28.738 0.022 0.000 0.904 1011 Q HN 0.618 nan 8.270 nan 0.000 0.420 1012 R N -0.106 120.393 120.500 -0.001 0.000 2.096 1012 R HA -0.172 4.168 4.340 -0.000 0.000 0.240 1012 R C 1.731 178.022 176.300 -0.015 0.000 1.139 1012 R CA 1.905 57.995 56.100 -0.017 0.000 0.952 1012 R CB -0.280 30.000 30.300 -0.032 0.000 0.854 1012 R HN 0.477 nan 8.270 nan 0.000 0.436 1013 D N 0.155 120.549 120.400 -0.010 0.000 2.087 1013 D HA -0.185 4.455 4.640 -0.000 0.000 0.192 1013 D C 1.777 178.089 176.300 0.020 0.000 0.993 1013 D CA 1.609 55.605 54.000 -0.006 0.000 0.828 1013 D CB -0.524 40.275 40.800 -0.002 0.000 0.968 1013 D HN 0.348 nan 8.370 nan 0.000 0.448 1014 A N 0.608 123.453 122.820 0.041 0.000 2.009 1014 A HA -0.188 4.132 4.320 -0.000 0.000 0.222 1014 A C 2.367 180.016 177.584 0.109 0.000 1.175 1014 A CA 1.668 53.748 52.037 0.072 0.000 0.651 1014 A CB -0.492 18.561 19.000 0.089 0.000 0.815 1014 A HN 0.223 nan 8.150 nan 0.000 0.459 1015 V N -1.271 118.704 119.914 0.101 0.000 3.644 1015 V HA -0.063 4.057 4.120 -0.000 0.000 0.267 1015 V C 2.242 178.403 176.094 0.111 0.000 1.277 1015 V CA 1.251 63.643 62.300 0.153 0.000 1.096 1015 V CB -0.600 31.283 31.823 0.101 0.000 0.828 1015 V HN 0.560 nan 8.190 nan 0.000 0.446 1016 T N 1.687 116.252 114.554 0.019 0.000 2.565 1016 T HA -0.324 4.025 4.350 -0.000 0.000 0.265 1016 T C 1.911 176.577 174.700 -0.055 0.000 1.082 1016 T CA 2.536 64.587 62.100 -0.082 0.000 1.173 1016 T CB -0.397 68.380 68.868 -0.152 0.000 0.864 1016 T HN 0.359 nan 8.240 nan 0.000 0.425 1017 L N 0.390 121.636 121.223 0.039 0.000 2.046 1017 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 1017 L C 2.096 179.044 176.870 0.131 0.000 1.077 1017 L CA 1.607 56.501 54.840 0.090 0.000 0.747 1017 L CB -0.933 41.198 42.059 0.120 0.000 0.896 1017 L HN 0.258 nan 8.230 nan 0.000 0.432 1018 F N -0.165 119.825 119.950 0.068 0.000 2.126 1018 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 1018 F C 2.452 178.286 175.800 0.056 0.000 1.096 1018 F CA 1.823 59.883 58.000 0.100 0.000 1.255 1018 F CB -0.917 38.194 39.000 0.185 0.000 0.997 1018 F HN 0.214 nan 8.300 nan 0.000 0.479 1019 C N -0.287 118.963 119.300 -0.084 0.000 2.429 1019 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 1019 C C 3.059 177.931 174.990 -0.197 0.000 1.262 1019 C CA 1.014 59.911 59.018 -0.201 0.000 1.733 1019 C CB -1.793 25.892 27.740 -0.093 0.000 2.010 1019 C HN 0.715 nan 8.230 nan 0.000 0.483 1020 C N 0.444 119.664 119.300 -0.133 0.000 2.385 1020 C HA -0.190 4.269 4.460 -0.000 0.000 0.275 1020 C C 2.554 177.491 174.990 -0.089 0.000 1.207 1020 C CA 1.506 60.466 59.018 -0.097 0.000 1.760 1020 C CB -1.682 26.033 27.740 -0.042 0.000 2.051 1020 C HN 0.682 nan 8.230 nan 0.000 0.467 1021 L N 0.581 121.734 121.223 -0.117 0.000 2.012 1021 L HA -0.106 4.233 4.340 -0.000 0.000 0.210 1021 L C 2.299 179.059 176.870 -0.184 0.000 1.073 1021 L CA 1.766 56.535 54.840 -0.118 0.000 0.748 1021 L CB -0.974 41.002 42.059 -0.139 0.000 0.891 1021 L HN 0.264 nan 8.230 nan 0.000 0.431 1022 L N 0.080 121.081 121.223 -0.371 0.000 1.990 1022 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 1022 L C 2.746 179.556 176.870 -0.100 0.000 1.072 1022 L CA 1.996 56.652 54.840 -0.308 0.000 0.755 1022 L CB -0.695 41.116 42.059 -0.413 0.000 0.889 1022 L HN 0.326 nan 8.230 nan 0.000 0.432 1023 R N -1.426 119.029 120.500 -0.075 0.000 2.148 1023 R HA -0.088 4.251 4.340 -0.000 0.000 0.227 1023 R C 2.437 178.782 176.300 0.075 0.000 1.103 1023 R CA 1.124 57.226 56.100 0.003 0.000 0.983 1023 R CB -0.676 29.610 30.300 -0.023 0.000 0.874 1023 R HN 0.432 nan 8.270 nan 0.000 0.451 1024 S N 0.612 116.346 115.700 0.056 0.000 2.400 1024 S HA -0.095 4.375 4.470 -0.000 0.000 0.232 1024 S C 1.732 176.491 174.600 0.265 0.000 1.025 1024 S CA 1.089 59.382 58.200 0.154 0.000 0.993 1024 S CB 0.098 63.350 63.200 0.088 0.000 0.808 1024 S HN 0.226 nan 8.310 nan 0.000 0.478 1025 R N 0.017 120.617 120.500 0.167 0.000 2.282 1025 R HA 0.345 4.685 4.340 -0.000 0.000 0.195 1025 R C 0.789 177.247 176.300 0.262 0.000 0.909 1025 R CA 0.207 56.443 56.100 0.227 0.000 1.039 1025 R CB -0.250 30.164 30.300 0.190 0.000 1.015 1025 R HN 0.406 nan 8.270 nan 0.000 0.513 1026 L N 1.400 122.730 121.223 0.179 0.000 3.062 1026 L HA 0.411 4.750 4.340 -0.000 0.000 0.255 1026 L C 0.200 177.161 176.870 0.152 0.000 1.274 1026 L CA -0.548 54.417 54.840 0.207 0.000 1.047 1026 L CB 0.543 42.706 42.059 0.172 0.000 1.402 1026 L HN -0.098 nan 8.230 nan 0.000 0.550 1027 A N -0.286 122.586 122.820 0.086 0.000 2.440 1027 A HA 0.274 4.594 4.320 -0.000 0.000 0.251 1027 A C 1.483 179.055 177.584 -0.020 0.000 1.089 1027 A CA -0.013 52.062 52.037 0.064 0.000 0.779 1027 A CB 0.430 19.500 19.000 0.117 0.000 1.022 1027 A HN 0.354 nan 8.150 nan 0.000 0.492 1028 T N 1.923 116.477 114.554 0.001 0.000 2.620 1028 T HA -0.229 4.120 4.350 -0.000 0.000 0.267 1028 T C 2.210 176.851 174.700 -0.098 0.000 1.044 1028 T CA 1.909 63.985 62.100 -0.040 0.000 1.161 1028 T CB -0.245 68.605 68.868 -0.030 0.000 0.862 1028 T HN 0.639 nan 8.240 nan 0.000 0.438 1029 R N 0.818 121.247 120.500 -0.119 0.000 2.094 1029 R HA -0.040 4.299 4.340 -0.000 0.000 0.239 1029 R C 2.627 178.770 176.300 -0.262 0.000 1.137 1029 R CA 1.698 57.692 56.100 -0.176 0.000 0.943 1029 R CB -0.519 29.659 30.300 -0.204 0.000 0.850 1029 R HN 0.432 nan 8.270 nan 0.000 0.433 1030 R N -0.437 119.839 120.500 -0.373 0.000 2.082 1030 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 1030 R C 2.327 178.225 176.300 -0.671 0.000 1.136 1030 R CA 1.769 57.523 56.100 -0.577 0.000 0.935 1030 R CB -0.660 29.243 30.300 -0.661 0.000 0.842 1030 R HN 0.046 nan 8.270 nan 0.000 0.430 1031 V N 1.288 120.937 119.914 -0.441 0.000 2.439 1031 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 1031 V C 2.074 178.142 176.094 -0.044 0.000 1.074 1031 V CA 1.850 64.073 62.300 -0.129 0.000 1.076 1031 V CB -0.433 31.462 31.823 0.119 0.000 0.664 1031 V HN 0.310 nan 8.190 nan 0.000 0.461 1032 L N -1.712 119.449 121.223 -0.105 0.000 2.362 1032 L HA 0.055 4.395 4.340 -0.000 0.000 0.204 1032 L C 2.398 179.233 176.870 -0.058 0.000 1.060 1032 L CA 0.804 55.613 54.840 -0.053 0.000 0.827 1032 L CB -0.377 41.644 42.059 -0.063 0.000 1.027 1032 L HN 0.220 nan 8.230 nan 0.000 0.474 1033 Q N 0.577 120.306 119.800 -0.119 0.000 2.033 1033 Q HA -0.139 4.200 4.340 -0.000 0.000 0.196 1033 Q C 1.892 177.828 176.000 -0.106 0.000 0.970 1033 Q CA 1.555 57.292 55.803 -0.110 0.000 0.828 1033 Q CB 0.274 28.924 28.738 -0.147 0.000 0.895 1033 Q HN 0.413 nan 8.270 nan 0.000 0.440 1034 E N -0.787 119.306 120.200 -0.179 0.000 2.021 1034 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 1034 E C 2.057 178.692 176.600 0.058 0.000 0.971 1034 E CA 1.027 57.350 56.400 -0.128 0.000 0.825 1034 E CB -0.391 29.157 29.700 -0.253 0.000 0.788 1034 E HN 0.444 nan 8.360 nan 0.000 0.460 1035 Y N 0.079 120.393 120.300 0.023 0.000 2.165 1035 Y HA -0.093 4.457 4.550 -0.000 0.000 0.286 1035 Y C 0.868 176.851 175.900 0.138 0.000 1.155 1035 Y CA 0.024 58.173 58.100 0.082 0.000 1.164 1035 Y CB 0.109 38.624 38.460 0.091 0.000 0.978 1035 Y HN -0.038 nan 8.280 nan 0.000 0.513 1036 R N 0.051 120.698 120.500 0.244 0.000 3.656 1036 R HA -0.165 4.174 4.340 -0.000 0.000 0.297 1036 R C -0.709 175.700 176.300 0.183 0.000 1.166 1036 R CA 0.309 56.528 56.100 0.199 0.000 0.799 1036 R CB -2.216 28.266 30.300 0.302 0.000 1.285 1036 R HN 0.352 nan 8.270 nan 0.000 0.477 1037 L N 0.600 121.954 121.223 0.217 0.000 2.452 1037 L HA 0.159 4.499 4.340 -0.000 0.000 0.267 1037 L C 1.781 178.713 176.870 0.103 0.000 1.188 1037 L CA 0.619 55.572 54.840 0.188 0.000 0.821 1037 L CB 0.559 42.798 42.059 0.300 0.000 1.102 1037 L HN 0.246 nan 8.230 nan 0.000 0.470 1038 T N -1.549 113.027 114.554 0.037 0.000 2.893 1038 T HA 0.210 4.560 4.350 -0.000 0.000 0.279 1038 T C 0.799 175.492 174.700 -0.012 0.000 0.991 1038 T CA -0.713 61.377 62.100 -0.018 0.000 0.950 1038 T CB 1.544 70.370 68.868 -0.071 0.000 1.223 1038 T HN 0.534 nan 8.240 nan 0.000 0.585 1039 K N -0.024 120.349 120.400 -0.045 0.000 2.147 1039 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 1039 K C 2.311 178.910 176.600 -0.002 0.000 1.049 1039 K CA 1.840 58.113 56.287 -0.023 0.000 0.936 1039 K CB -0.563 31.910 32.500 -0.044 0.000 0.722 1039 K HN 0.732 nan 8.250 nan 0.000 0.446 1040 Q N -0.325 119.392 119.800 -0.138 0.000 1.941 1040 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 1040 Q C 1.997 177.770 176.000 -0.378 0.000 0.982 1040 Q CA 1.753 57.380 55.803 -0.292 0.000 0.839 1040 Q CB -0.466 27.962 28.738 -0.516 0.000 0.904 1040 Q HN 0.358 nan 8.270 nan 0.000 0.427 1041 A N 0.405 122.861 122.820 -0.608 0.000 1.971 1041 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 1041 A C 1.912 179.564 177.584 0.113 0.000 1.182 1041 A CA 1.813 53.648 52.037 -0.337 0.000 0.649 1041 A CB -1.186 17.739 19.000 -0.126 0.000 0.818 1041 A HN 0.649 nan 8.150 nan 0.000 0.458 1042 F N 1.030 120.978 119.950 -0.003 0.000 2.051 1042 F HA -0.176 4.351 4.527 -0.000 0.000 0.296 1042 F C 1.972 177.831 175.800 0.097 0.000 1.122 1042 F CA 2.219 60.260 58.000 0.069 0.000 1.201 1042 F CB -0.227 38.795 39.000 0.037 0.000 0.978 1042 F HN 0.250 nan 8.300 nan 0.000 0.472 1043 D N -0.747 119.814 120.400 0.270 0.000 2.190 1043 D HA -0.257 4.383 4.640 -0.000 0.000 0.200 1043 D C 1.791 178.178 176.300 0.145 0.000 0.992 1043 D CA 1.353 55.460 54.000 0.179 0.000 0.854 1043 D CB -0.680 40.223 40.800 0.171 0.000 0.936 1043 D HN 0.499 nan 8.370 nan 0.000 0.462 1044 W N 1.465 122.761 121.300 -0.008 0.000 2.413 1044 W HA -0.168 4.492 4.660 -0.000 0.000 0.315 1044 W C 2.298 178.813 176.519 -0.008 0.000 1.186 1044 W CA 0.975 58.351 57.345 0.053 0.000 1.326 1044 W CB -0.552 29.035 29.460 0.212 0.000 1.153 1044 W HN -0.264 nan 8.180 nan 0.000 0.489 1045 V N 1.420 121.422 119.914 0.147 0.000 2.282 1045 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 1045 V C 2.381 178.341 176.094 -0.224 0.000 1.057 1045 V CA 2.112 64.357 62.300 -0.092 0.000 1.032 1045 V CB -1.305 30.468 31.823 -0.083 0.000 0.645 1045 V HN 0.256 nan 8.190 nan 0.000 0.447 1046 L N -0.026 121.031 121.223 -0.276 0.000 2.079 1046 L HA -0.188 4.151 4.340 -0.000 0.000 0.210 1046 L C 2.714 179.491 176.870 -0.155 0.000 1.081 1046 L CA 1.955 56.650 54.840 -0.243 0.000 0.752 1046 L CB -0.674 41.228 42.059 -0.262 0.000 0.896 1046 L HN 0.470 nan 8.230 nan 0.000 0.433 1047 S N 0.187 115.793 115.700 -0.157 0.000 2.355 1047 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 1047 S C 1.619 176.097 174.600 -0.203 0.000 1.031 1047 S CA 1.656 59.766 58.200 -0.150 0.000 0.993 1047 S CB -0.245 62.874 63.200 -0.135 0.000 0.859 1047 S HN 0.516 nan 8.310 nan 0.000 0.453 1048 N N 0.714 119.211 118.700 -0.339 0.000 2.216 1048 N HA 0.054 4.794 4.740 -0.000 0.000 0.183 1048 N C 1.808 177.216 175.510 -0.170 0.000 1.017 1048 N CA 1.347 54.199 53.050 -0.330 0.000 0.861 1048 N CB -0.227 37.927 38.487 -0.554 0.000 0.986 1048 N HN 0.365 nan 8.380 nan 0.000 0.428 1049 I N 1.470 121.962 120.570 -0.130 0.000 2.264 1049 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 1049 I C 2.656 178.799 176.117 0.043 0.000 1.111 1049 I CA 1.292 62.592 61.300 0.001 0.000 1.382 1049 I CB -0.246 37.768 38.000 0.023 0.000 1.060 1049 I HN 0.309 nan 8.210 nan 0.000 0.418 1050 E N 1.363 121.551 120.200 -0.020 0.000 2.015 1050 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 1050 E C 2.270 178.884 176.600 0.024 0.000 0.991 1050 E CA 1.484 57.878 56.400 -0.010 0.000 0.802 1050 E CB -0.154 29.518 29.700 -0.046 0.000 0.759 1050 E HN 0.392 nan 8.360 nan 0.000 0.447 1051 A N 0.936 123.740 122.820 -0.028 0.000 1.873 1051 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 1051 A C 2.214 179.778 177.584 -0.033 0.000 1.193 1051 A CA 2.126 54.143 52.037 -0.034 0.000 0.629 1051 A CB -0.955 18.003 19.000 -0.069 0.000 0.826 1051 A HN 0.468 nan 8.150 nan 0.000 0.447 1052 Q N -2.004 117.767 119.800 -0.048 0.000 2.197 1052 Q HA -0.216 4.123 4.340 -0.000 0.000 0.207 1052 Q C 1.881 177.828 176.000 -0.087 0.000 0.984 1052 Q CA 1.725 57.486 55.803 -0.071 0.000 0.869 1052 Q CB -0.333 28.375 28.738 -0.050 0.000 0.906 1052 Q HN 0.778 nan 8.270 nan 0.000 0.426 1053 F N 1.052 120.899 119.950 -0.172 0.000 2.022 1053 F HA -0.210 4.317 4.527 -0.000 0.000 0.293 1053 F C 1.861 177.539 175.800 -0.204 0.000 1.142 1053 F CA 1.261 59.116 58.000 -0.243 0.000 1.177 1053 F CB -0.281 38.565 39.000 -0.257 0.000 0.982 1053 F HN -0.077 nan 8.300 nan 0.000 0.473 1054 L N 0.607 121.947 121.223 0.194 0.000 2.211 1054 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 1054 L C 2.473 179.271 176.870 -0.119 0.000 1.092 1054 L CA 1.599 56.477 54.840 0.064 0.000 0.767 1054 L CB -0.794 41.303 42.059 0.064 0.000 0.894 1054 L HN 0.154 nan 8.230 nan 0.000 0.437 1055 R N -1.075 119.316 120.500 -0.183 0.000 2.090 1055 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 1055 R C 2.365 178.378 176.300 -0.478 0.000 1.110 1055 R CA 1.298 57.237 56.100 -0.269 0.000 0.973 1055 R CB -0.355 29.768 30.300 -0.294 0.000 0.869 1055 R HN 0.298 nan 8.270 nan 0.000 0.440 1056 S N 0.736 116.114 115.700 -0.537 0.000 2.447 1056 S HA -0.008 4.462 4.470 -0.000 0.000 0.233 1056 S C 0.977 175.441 174.600 -0.227 0.000 1.006 1056 S CA 0.261 58.186 58.200 -0.459 0.000 0.957 1056 S CB 0.021 62.970 63.200 -0.418 0.000 0.773 1056 S HN -0.012 nan 8.310 nan 0.000 0.507 1057 V N 2.652 122.397 119.914 -0.281 0.000 2.872 1057 V HA 0.018 4.138 4.120 -0.000 0.000 0.307 1057 V C 0.597 176.708 176.094 0.027 0.000 1.072 1057 V CA -0.186 62.024 62.300 -0.151 0.000 1.148 1057 V CB 0.663 32.403 31.823 -0.139 0.000 0.954 1057 V HN 0.098 nan 8.190 nan 0.000 0.490 1058 V N 5.084 125.044 119.914 0.076 0.000 2.655 1058 V HA 0.054 4.173 4.120 -0.000 0.000 0.300 1058 V C 0.555 176.705 176.094 0.095 0.000 1.044 1058 V CA -0.200 62.175 62.300 0.126 0.000 1.095 1058 V CB 0.173 32.059 31.823 0.105 0.000 0.952 1058 V HN 0.770 nan 8.190 nan 0.000 0.485 1059 H N 5.465 124.510 119.070 -0.042 0.000 2.800 1059 H HA 0.186 4.742 4.556 -0.000 0.000 0.291 1059 H C -2.244 173.018 175.328 -0.111 0.000 1.076 1059 H CA -1.781 54.240 56.048 -0.045 0.000 1.452 1059 H CB 1.083 30.826 29.762 -0.032 0.000 1.461 1059 H HN 0.461 nan 8.280 nan 0.000 0.488 1060 P HA -0.026 nan 4.420 nan 0.000 0.262 1060 P C 0.854 177.949 177.300 -0.342 0.000 1.199 1060 P CA 0.970 63.908 63.100 -0.269 0.000 0.763 1060 P CB 0.751 32.212 31.700 -0.397 0.000 0.790 1061 G N 2.562 111.173 108.800 -0.314 0.000 3.288 1061 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.195 1061 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.195 1061 G C -0.050 174.731 174.900 -0.199 0.000 1.093 1061 G CA -0.551 44.407 45.100 -0.237 0.000 0.852 1061 G HN 0.443 nan 8.290 nan 0.000 0.453 1062 E N 2.054 122.152 120.200 -0.170 0.000 3.072 1062 E HA -0.014 4.336 4.350 -0.000 0.000 0.241 1062 E C 0.723 177.196 176.600 -0.213 0.000 0.962 1062 E CA 0.459 56.749 56.400 -0.183 0.000 0.955 1062 E CB 0.139 29.706 29.700 -0.223 0.000 0.899 1062 E HN 0.272 nan 8.360 nan 0.000 0.547 1063 M N 4.610 124.110 119.600 -0.167 0.000 3.700 1063 M HA -0.034 4.446 4.480 -0.000 0.000 0.190 1063 M C 1.385 177.604 176.300 -0.135 0.000 1.422 1063 M CA -0.125 55.085 55.300 -0.149 0.000 1.646 1063 M CB -0.971 31.558 32.600 -0.119 0.000 1.154 1063 M HN 0.251 nan 8.290 nan 0.000 0.506 1064 V N 0.866 120.674 119.914 -0.177 0.000 2.357 1064 V HA -0.333 3.787 4.120 -0.000 0.000 0.257 1064 V C 2.272 178.359 176.094 -0.012 0.000 1.082 1064 V CA 2.477 64.700 62.300 -0.129 0.000 1.078 1064 V CB -1.207 30.456 31.823 -0.267 0.000 0.663 1064 V HN 0.756 nan 8.190 nan 0.000 0.455 1065 G N -0.558 108.217 108.800 -0.042 0.000 2.575 1065 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.215 1065 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.215 1065 G C 1.624 176.483 174.900 -0.068 0.000 1.262 1065 G CA 1.224 46.298 45.100 -0.043 0.000 0.807 1065 G HN 0.358 nan 8.290 nan 0.000 0.567 1066 V N 1.169 121.030 119.914 -0.088 0.000 2.277 1066 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 1066 V C 2.736 178.771 176.094 -0.099 0.000 1.067 1066 V CA 1.822 64.064 62.300 -0.097 0.000 1.047 1066 V CB -0.730 31.039 31.823 -0.089 0.000 0.649 1066 V HN 0.335 nan 8.190 nan 0.000 0.447 1067 L N 0.927 122.096 121.223 -0.090 0.000 1.956 1067 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 1067 L C 2.582 179.342 176.870 -0.183 0.000 1.073 1067 L CA 2.869 57.639 54.840 -0.116 0.000 0.762 1067 L CB -1.728 40.294 42.059 -0.062 0.000 0.889 1067 L HN 0.312 nan 8.230 nan 0.000 0.433 1068 A N -0.488 122.287 122.820 -0.076 0.000 1.948 1068 A HA -0.198 4.121 4.320 -0.000 0.000 0.220 1068 A C 2.449 179.956 177.584 -0.129 0.000 1.177 1068 A CA 2.500 54.504 52.037 -0.055 0.000 0.636 1068 A CB -1.088 18.002 19.000 0.150 0.000 0.815 1068 A HN 0.665 nan 8.150 nan 0.000 0.449 1069 A N -0.536 122.212 122.820 -0.119 0.000 1.851 1069 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 1069 A C 2.105 179.606 177.584 -0.139 0.000 1.195 1069 A CA 1.737 53.693 52.037 -0.134 0.000 0.622 1069 A CB -0.779 18.135 19.000 -0.144 0.000 0.831 1069 A HN 0.657 nan 8.150 nan 0.000 0.444 1070 Q N -0.153 119.566 119.800 -0.136 0.000 2.234 1070 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 1070 Q C 2.302 178.222 176.000 -0.134 0.000 0.980 1070 Q CA 1.557 57.290 55.803 -0.117 0.000 0.869 1070 Q CB -0.262 28.428 28.738 -0.080 0.000 0.912 1070 Q HN 0.627 nan 8.270 nan 0.000 0.436 1071 S N 0.465 116.026 115.700 -0.231 0.000 2.423 1071 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 1071 S C 1.853 176.348 174.600 -0.175 0.000 1.014 1071 S CA 0.768 58.794 58.200 -0.289 0.000 0.965 1071 S CB 0.010 62.781 63.200 -0.714 0.000 0.785 1071 S HN 0.305 nan 8.310 nan 0.000 0.495 1072 I N 0.777 121.258 120.570 -0.148 0.000 2.385 1072 I HA 0.035 4.205 4.170 -0.000 0.000 0.244 1072 I C 2.758 178.815 176.117 -0.100 0.000 1.089 1072 I CA 0.822 62.054 61.300 -0.112 0.000 1.410 1072 I CB -1.074 36.861 38.000 -0.108 0.000 1.117 1072 I HN 0.333 nan 8.210 nan 0.000 0.429 1073 G N 0.900 109.638 108.800 -0.103 0.000 2.491 1073 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.218 1073 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.218 1073 G C 1.538 176.385 174.900 -0.090 0.000 1.180 1073 G CA 0.904 45.949 45.100 -0.092 0.000 0.774 1073 G HN 0.342 nan 8.290 nan 0.000 0.562 1074 E N 1.199 121.338 120.200 -0.102 0.000 2.086 1074 E HA -0.151 4.199 4.350 -0.000 0.000 0.200 1074 E C 0.243 176.793 176.600 -0.084 0.000 1.012 1074 E CA 1.825 58.152 56.400 -0.121 0.000 0.812 1074 E CB -0.955 28.669 29.700 -0.127 0.000 0.743 1074 E HN 0.401 nan 8.360 nan 0.000 0.453 1075 P HA -0.033 nan 4.420 nan 0.000 0.226 1075 P C 0.901 178.172 177.300 -0.048 0.000 1.153 1075 P CA 1.388 64.457 63.100 -0.051 0.000 0.777 1075 P CB -0.023 31.644 31.700 -0.055 0.000 0.794 1076 A N -0.148 122.640 122.820 -0.053 0.000 2.016 1076 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 1076 A C 2.205 179.768 177.584 -0.035 0.000 1.162 1076 A CA 1.477 53.489 52.037 -0.042 0.000 0.662 1076 A CB -1.559 17.415 19.000 -0.044 0.000 0.812 1076 A HN 0.133 nan 8.150 nan 0.000 0.450 1077 T N 0.531 115.057 114.554 -0.047 0.000 2.867 1077 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 1077 T C 1.449 176.127 174.700 -0.036 0.000 1.057 1077 T CA 1.271 63.344 62.100 -0.044 0.000 1.136 1077 T CB -0.135 68.694 68.868 -0.066 0.000 0.874 1077 T HN 0.507 nan 8.240 nan 0.000 0.466 1078 Q N 0.412 120.190 119.800 -0.036 0.000 2.280 1078 Q HA 0.264 4.604 4.340 -0.000 0.000 0.202 1078 Q C 0.222 176.211 176.000 -0.017 0.000 0.903 1078 Q CA 0.064 55.851 55.803 -0.027 0.000 0.948 1078 Q CB -0.266 28.457 28.738 -0.026 0.000 1.058 1078 Q HN 0.540 nan 8.270 nan 0.000 0.493 1079 M N 1.760 121.350 119.600 -0.016 0.000 2.974 1079 M HA 0.094 4.573 4.480 -0.000 0.000 0.301 1079 M C -0.304 175.994 176.300 -0.004 0.000 1.409 1079 M CA 0.219 55.514 55.300 -0.009 0.000 1.515 1079 M CB 0.009 32.605 32.600 -0.008 0.000 1.163 1079 M HN -0.194 nan 8.290 nan 0.000 0.520 1080 T N 4.352 118.905 114.554 -0.002 0.000 3.455 1080 T HA 0.369 4.719 4.350 -0.000 0.000 0.286 1080 T C 0.534 175.237 174.700 0.005 0.000 1.157 1080 T CA -0.073 62.027 62.100 0.001 0.000 1.090 1080 T CB -0.431 68.438 68.868 0.002 0.000 1.112 1080 T HN 0.439 nan 8.240 nan 0.000 0.779 1093 K N 2.022 122.437 120.400 0.024 0.000 2.265 1093 K HA 0.302 4.622 4.320 -0.000 0.000 0.242 1093 K C -0.499 176.111 176.600 0.017 0.000 1.137 1093 K CA -0.237 56.059 56.287 0.015 0.000 1.082 1093 K CB 0.985 33.489 32.500 0.006 0.000 1.731 1093 K HN -0.103 nan 8.250 nan 0.000 0.392 1094 V N 0.791 120.718 119.914 0.023 0.000 2.841 1094 V HA 0.161 4.281 4.120 -0.000 0.000 0.310 1094 V C 0.191 176.301 176.094 0.027 0.000 1.090 1094 V CA -1.318 60.996 62.300 0.025 0.000 0.930 1094 V CB 1.917 33.761 31.823 0.036 0.000 1.014 1094 V HN 0.671 nan 8.190 nan 0.000 0.425 1095 T N 1.586 116.154 114.554 0.023 0.000 2.656 1095 T HA 0.207 4.556 4.350 -0.000 0.000 0.263 1095 T C 0.290 175.012 174.700 0.037 0.000 1.017 1095 T CA 0.326 62.441 62.100 0.026 0.000 1.216 1095 T CB -0.455 68.428 68.868 0.025 0.000 0.989 1095 T HN 1.082 nan 8.240 nan 0.000 0.507 1096 S N 1.905 117.625 115.700 0.033 0.000 2.570 1096 S HA 0.899 5.369 4.470 -0.000 0.000 0.286 1096 S C 0.378 174.996 174.600 0.030 0.000 1.099 1096 S CA -0.251 57.972 58.200 0.038 0.000 0.913 1096 S CB 1.982 65.205 63.200 0.038 0.000 1.085 1096 S HN 2.008 nan 8.310 nan 0.000 0.480 1097 G N 0.906 109.724 108.800 0.030 0.000 2.568 1097 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.222 1097 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.222 1097 G C 0.489 175.401 174.900 0.019 0.000 1.321 1097 G CA -0.145 44.967 45.100 0.020 0.000 0.893 1097 G HN 1.624 nan 8.290 nan 0.000 0.569 1098 V N 2.271 122.193 119.914 0.013 0.000 2.277 1098 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 1098 V C 0.990 177.098 176.094 0.024 0.000 1.067 1098 V CA 3.403 65.712 62.300 0.014 0.000 1.047 1098 V CB -1.842 29.988 31.823 0.012 0.000 0.649 1098 V HN 0.811 nan 8.190 nan 0.000 0.447 1099 P HA -0.218 nan 4.420 nan 0.000 0.215 1099 P C 1.639 178.961 177.300 0.038 0.000 1.157 1099 P CA 1.949 65.068 63.100 0.031 0.000 0.868 1099 P CB -0.105 31.609 31.700 0.025 0.000 0.788 1100 R N 0.396 120.920 120.500 0.039 0.000 2.075 1100 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 1100 R C 2.349 178.685 176.300 0.060 0.000 1.126 1100 R CA 1.123 57.254 56.100 0.051 0.000 0.963 1100 R CB -1.940 28.392 30.300 0.053 0.000 0.858 1100 R HN 0.107 nan 8.270 nan 0.000 0.435 1101 L N 1.043 122.292 121.223 0.043 0.000 2.079 1101 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 1101 L C 2.131 179.026 176.870 0.041 0.000 1.081 1101 L CA 2.085 56.946 54.840 0.034 0.000 0.752 1101 L CB -0.676 41.389 42.059 0.009 0.000 0.896 1101 L HN 0.303 nan 8.230 nan 0.000 0.433 1102 K N -0.568 119.858 120.400 0.043 0.000 2.097 1102 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 1102 K C 2.118 178.760 176.600 0.070 0.000 1.049 1102 K CA 1.628 57.946 56.287 0.051 0.000 0.933 1102 K CB -0.128 32.406 32.500 0.057 0.000 0.717 1102 K HN 0.533 nan 8.250 nan 0.000 0.442 1103 E N 0.698 120.942 120.200 0.073 0.000 2.033 1103 E HA -0.223 4.126 4.350 -0.000 0.000 0.199 1103 E C 1.933 178.611 176.600 0.129 0.000 1.011 1103 E CA 1.969 58.419 56.400 0.083 0.000 0.815 1103 E CB -0.107 29.636 29.700 0.071 0.000 0.755 1103 E HN 0.310 nan 8.360 nan 0.000 0.451 1104 I N 0.656 121.324 120.570 0.163 0.000 2.091 1104 I HA -0.334 3.835 4.170 -0.000 0.000 0.239 1104 I C 2.509 178.753 176.117 0.212 0.000 1.061 1104 I CA 1.211 62.665 61.300 0.257 0.000 1.317 1104 I CB -0.544 37.557 38.000 0.168 0.000 1.031 1104 I HN 0.199 nan 8.210 nan 0.000 0.401 1105 L N 0.792 122.079 121.223 0.106 0.000 2.263 1105 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 1105 L C 1.980 178.922 176.870 0.120 0.000 1.111 1105 L CA 1.106 55.992 54.840 0.076 0.000 0.773 1105 L CB -0.759 41.312 42.059 0.020 0.000 0.906 1105 L HN 0.368 nan 8.230 nan 0.000 0.439 1106 N N -0.679 118.102 118.700 0.135 0.000 2.422 1106 N HA 0.011 4.751 4.740 -0.000 0.000 0.181 1106 N C 0.656 176.259 175.510 0.155 0.000 1.080 1106 N CA 0.334 53.469 53.050 0.142 0.000 0.893 1106 N CB 0.638 39.197 38.487 0.121 0.000 0.973 1106 N HN -0.006 nan 8.380 nan 0.000 0.456 1107 V N 0.782 120.816 119.914 0.201 0.000 5.767 1107 V HA -0.274 3.846 4.120 -0.000 0.000 0.311 1107 V C 0.486 176.609 176.094 0.048 0.000 0.532 1107 V CA 0.367 62.778 62.300 0.185 0.000 0.659 1107 V CB -2.590 29.347 31.823 0.190 0.000 0.353 1107 V HN 0.423 nan 8.190 nan 0.000 1.082 1108 A N 0.659 123.498 122.820 0.031 0.000 2.524 1108 A HA 0.423 4.742 4.320 -0.000 0.000 0.250 1108 A C 1.170 178.712 177.584 -0.071 0.000 1.078 1108 A CA 0.801 52.836 52.037 -0.003 0.000 0.761 1108 A CB 0.542 19.549 19.000 0.012 0.000 1.012 1108 A HN 0.558 nan 8.150 nan 0.000 0.500 1109 K N 2.116 122.483 120.400 -0.055 0.000 2.116 1109 K HA -0.018 4.301 4.320 -0.000 0.000 0.203 1109 K C 0.531 177.085 176.600 -0.076 0.000 1.052 1109 K CA 1.751 57.990 56.287 -0.079 0.000 0.952 1109 K CB -0.066 32.401 32.500 -0.055 0.000 0.729 1109 K HN 0.808 nan 8.250 nan 0.000 0.446 1110 N N 1.885 120.555 118.700 -0.050 0.000 2.714 1110 N HA 0.115 4.855 4.740 -0.000 0.000 0.298 1110 N C -0.443 175.043 175.510 -0.040 0.000 1.298 1110 N CA -0.316 52.708 53.050 -0.045 0.000 1.007 1110 N CB 0.048 38.517 38.487 -0.031 0.000 1.318 1110 N HN 0.269 nan 8.380 nan 0.000 0.516 1111 M N -1.145 118.423 119.600 -0.053 0.000 2.216 1111 M HA -0.028 4.452 4.480 -0.000 0.000 0.317 1111 M C 0.613 176.897 176.300 -0.027 0.000 1.015 1111 M CA 0.529 55.807 55.300 -0.037 0.000 1.045 1111 M CB 0.833 33.400 32.600 -0.054 0.000 1.538 1111 M HN 0.009 nan 8.290 nan 0.000 0.440 1112 K N 1.416 121.809 120.400 -0.013 0.000 2.057 1112 K HA 0.037 4.357 4.320 -0.000 0.000 0.197 1112 K C 0.229 176.820 176.600 -0.016 0.000 1.055 1112 K CA 1.266 57.546 56.287 -0.011 0.000 1.028 1112 K CB -0.629 31.870 32.500 -0.002 0.000 1.289 1112 K HN 0.820 nan 8.250 nan 0.000 0.462 1113 T N 4.523 119.072 114.554 -0.008 0.000 2.642 1113 T HA 0.007 4.356 4.350 -0.000 0.000 0.258 1113 T C -2.159 172.530 174.700 -0.018 0.000 1.022 1113 T CA -0.382 61.712 62.100 -0.010 0.000 1.266 1113 T CB -0.014 68.855 68.868 0.002 0.000 0.987 1113 T HN 0.285 nan 8.240 nan 0.000 0.518 1114 P HA 0.303 nan 4.420 nan 0.000 0.226 1114 P C 0.132 177.402 177.300 -0.050 0.000 1.845 1114 P CA -0.432 62.640 63.100 -0.046 0.000 1.092 1114 P CB 0.552 32.218 31.700 -0.056 0.000 1.851 1115 S N 2.162 117.838 115.700 -0.039 0.000 2.641 1115 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 1115 S C 0.015 174.576 174.600 -0.065 0.000 1.332 1115 S CA 0.184 58.362 58.200 -0.037 0.000 0.968 1115 S CB -0.090 63.103 63.200 -0.012 0.000 0.987 1115 S HN 0.371 nan 8.310 nan 0.000 0.587 1116 L N 0.271 121.461 121.223 -0.055 0.000 2.795 1116 L HA 0.476 4.816 4.340 -0.000 0.000 0.260 1116 L C -0.856 175.988 176.870 -0.043 0.000 0.935 1116 L CA -0.276 54.519 54.840 -0.074 0.000 0.985 1116 L CB 1.022 43.043 42.059 -0.064 0.000 1.433 1116 L HN 0.471 nan 8.230 nan 0.000 0.447 1117 T N 4.151 118.689 114.554 -0.027 0.000 2.743 1117 T HA 0.652 5.002 4.350 -0.000 0.000 0.293 1117 T C 0.015 174.626 174.700 -0.149 0.000 0.945 1117 T CA -0.060 61.999 62.100 -0.068 0.000 1.030 1117 T CB 0.989 69.861 68.868 0.007 0.000 0.912 1117 T HN 0.837 nan 8.240 nan 0.000 0.483 1118 V N 2.305 122.094 119.914 -0.209 0.000 2.417 1118 V HA 0.614 4.734 4.120 -0.000 0.000 0.291 1118 V C -1.137 174.796 176.094 -0.268 0.000 1.024 1118 V CA -1.216 60.992 62.300 -0.153 0.000 0.861 1118 V CB 0.344 32.143 31.823 -0.041 0.000 0.985 1118 V HN 0.715 nan 8.190 nan 0.000 0.436 1119 Y N 4.875 125.222 120.300 0.077 0.000 2.323 1119 Y HA 0.634 5.184 4.550 -0.000 0.000 0.331 1119 Y C 0.732 176.661 175.900 0.049 0.000 1.092 1119 Y CA -1.027 57.113 58.100 0.067 0.000 1.150 1119 Y CB 1.376 39.883 38.460 0.078 0.000 1.200 1119 Y HN 0.821 nan 8.280 nan 0.000 0.472 1120 L N -0.379 120.949 121.223 0.174 0.000 2.209 1120 L HA 0.108 4.447 4.340 -0.000 0.000 0.191 1120 L C 0.291 177.199 176.870 0.064 0.000 1.082 1120 L CA -0.316 54.594 54.840 0.117 0.000 0.870 1120 L CB -0.088 42.045 42.059 0.125 0.000 1.200 1120 L HN 0.597 nan 8.230 nan 0.000 0.574 1121 E N -1.065 119.109 120.200 -0.044 0.000 2.214 1121 E HA 0.277 4.627 4.350 -0.000 0.000 0.274 1121 E C -1.950 174.440 176.600 -0.350 0.000 0.977 1121 E CA -1.942 54.347 56.400 -0.185 0.000 0.827 1121 E CB 1.440 31.035 29.700 -0.175 0.000 1.130 1121 E HN 0.388 nan 8.360 nan 0.000 0.394 1122 P HA -0.330 nan 4.420 nan 0.000 0.215 1122 P C 0.905 178.079 177.300 -0.209 0.000 0.896 1122 P CA 2.288 65.287 63.100 -0.168 0.000 1.030 1122 P CB -0.145 31.487 31.700 -0.113 0.000 0.731 1123 G N 0.244 108.891 108.800 -0.255 0.000 2.877 1123 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.211 1123 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.211 1123 G C 0.094 174.947 174.900 -0.078 0.000 1.367 1123 G CA 1.086 46.120 45.100 -0.110 0.000 0.807 1123 G HN 0.510 nan 8.290 nan 0.000 0.666 1124 H N 1.385 120.479 119.070 0.040 0.000 4.158 1124 H HA 0.277 4.833 4.556 -0.000 0.000 0.186 1124 H C 1.107 176.484 175.328 0.082 0.000 0.890 1124 H CA 0.283 56.360 56.048 0.049 0.000 1.373 1124 H CB -0.949 28.831 29.762 0.030 0.000 1.595 1124 H HN 0.337 nan 8.280 nan 0.000 0.739 1125 A N 2.750 125.649 122.820 0.131 0.000 1.944 1125 A HA 0.391 4.711 4.320 -0.000 0.000 0.209 1125 A C 2.144 179.885 177.584 0.261 0.000 1.328 1125 A CA 0.490 52.615 52.037 0.147 0.000 0.693 1125 A CB -0.257 18.796 19.000 0.088 0.000 0.994 1125 A HN 0.603 nan 8.150 nan 0.000 0.485 1126 A N -0.168 122.797 122.820 0.243 0.000 2.302 1126 A HA 0.219 4.539 4.320 -0.000 0.000 0.219 1126 A C 0.492 178.278 177.584 0.338 0.000 1.243 1126 A CA 0.401 52.652 52.037 0.356 0.000 0.856 1126 A CB -0.516 18.612 19.000 0.213 0.000 0.893 1126 A HN 0.289 nan 8.150 nan 0.000 0.491 1127 D N 0.721 121.249 120.400 0.214 0.000 2.598 1127 D HA 0.056 4.696 4.640 -0.000 0.000 0.231 1127 D C 1.511 177.720 176.300 -0.152 0.000 1.127 1127 D CA 0.081 54.118 54.000 0.062 0.000 1.126 1127 D CB 0.058 40.912 40.800 0.090 0.000 1.124 1127 D HN 0.423 nan 8.370 nan 0.000 0.485 1128 Q N 1.722 121.344 119.800 -0.297 0.000 2.165 1128 Q HA -0.289 4.051 4.340 -0.000 0.000 0.215 1128 Q C 1.381 177.046 176.000 -0.559 0.000 1.010 1128 Q CA 1.924 57.263 55.803 -0.773 0.000 0.896 1128 Q CB -0.059 28.418 28.738 -0.435 0.000 0.956 1128 Q HN 0.426 nan 8.270 nan 0.000 0.413 1129 E N -0.450 119.572 120.200 -0.296 0.000 2.047 1129 E HA -0.192 4.157 4.350 -0.000 0.000 0.191 1129 E C 1.940 178.432 176.600 -0.180 0.000 0.987 1129 E CA 1.336 57.606 56.400 -0.217 0.000 0.799 1129 E CB -0.268 29.347 29.700 -0.142 0.000 0.752 1129 E HN 0.554 nan 8.360 nan 0.000 0.449 1130 Q N 0.951 120.671 119.800 -0.133 0.000 2.268 1130 Q HA -0.174 4.165 4.340 -0.000 0.000 0.210 1130 Q C 1.690 177.644 176.000 -0.077 0.000 0.988 1130 Q CA 1.804 57.560 55.803 -0.080 0.000 0.883 1130 Q CB -0.333 28.407 28.738 0.003 0.000 0.911 1130 Q HN 0.241 nan 8.270 nan 0.000 0.430 1131 A N 0.710 123.441 122.820 -0.148 0.000 1.828 1131 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 1131 A C 1.926 179.426 177.584 -0.140 0.000 1.203 1131 A CA 1.816 53.767 52.037 -0.144 0.000 0.614 1131 A CB -0.628 18.200 19.000 -0.287 0.000 0.844 1131 A HN 0.458 nan 8.150 nan 0.000 0.445 1132 K N -0.176 120.104 120.400 -0.201 0.000 2.107 1132 K HA -0.223 4.097 4.320 -0.000 0.000 0.211 1132 K C 1.863 178.393 176.600 -0.118 0.000 1.049 1132 K CA 1.805 57.989 56.287 -0.171 0.000 0.927 1132 K CB -0.691 31.697 32.500 -0.187 0.000 0.714 1132 K HN 0.487 nan 8.250 nan 0.000 0.452 1133 L N 0.685 121.845 121.223 -0.105 0.000 2.043 1133 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 1133 L C 2.390 179.229 176.870 -0.052 0.000 1.075 1133 L CA 1.394 56.189 54.840 -0.076 0.000 0.752 1133 L CB -0.557 41.458 42.059 -0.074 0.000 0.891 1133 L HN 0.231 nan 8.230 nan 0.000 0.432 1134 I N -1.041 119.504 120.570 -0.041 0.000 2.480 1134 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 1134 I C 2.767 178.871 176.117 -0.021 0.000 1.124 1134 I CA 0.609 61.899 61.300 -0.018 0.000 1.444 1134 I CB -0.577 37.425 38.000 0.004 0.000 1.098 1134 I HN 0.257 nan 8.210 nan 0.000 0.428 1135 R N 1.971 122.449 120.500 -0.035 0.000 2.112 1135 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 1135 R C 1.767 178.055 176.300 -0.020 0.000 1.137 1135 R CA 2.371 58.455 56.100 -0.028 0.000 0.944 1135 R CB -0.558 29.707 30.300 -0.058 0.000 0.857 1135 R HN 0.238 nan 8.270 nan 0.000 0.435 1136 S N -0.202 115.474 115.700 -0.040 0.000 2.720 1136 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 1136 S C 1.025 175.607 174.600 -0.030 0.000 0.958 1136 S CA 0.411 58.589 58.200 -0.037 0.000 0.943 1136 S CB 0.711 63.877 63.200 -0.056 0.000 0.779 1136 S HN 0.570 nan 8.310 nan 0.000 0.526 1137 A N 0.722 123.530 122.820 -0.020 0.000 2.324 1137 A HA 0.432 4.752 4.320 -0.000 0.000 0.220 1137 A C 1.560 179.142 177.584 -0.002 0.000 1.209 1137 A CA -0.138 51.890 52.037 -0.015 0.000 0.918 1137 A CB -0.041 18.952 19.000 -0.012 0.000 0.959 1137 A HN 0.583 nan 8.150 nan 0.000 0.507 1138 I N -4.203 116.371 120.570 0.006 0.000 4.197 1138 I HA 0.290 4.459 4.170 -0.000 0.000 0.307 1138 I C 0.928 177.070 176.117 0.042 0.000 1.236 1138 I CA 0.159 61.472 61.300 0.022 0.000 1.321 1138 I CB -0.139 37.873 38.000 0.019 0.000 1.309 1138 I HN 0.098 nan 8.210 nan 0.000 0.450 1139 E N 3.547 123.772 120.200 0.040 0.000 2.214 1139 E HA -0.153 4.197 4.350 -0.000 0.000 0.291 1139 E C -0.046 176.603 176.600 0.082 0.000 1.137 1139 E CA -0.081 56.358 56.400 0.065 0.000 1.175 1139 E CB -0.769 28.973 29.700 0.070 0.000 1.071 1139 E HN 0.465 nan 8.360 nan 0.000 0.467 1140 H N 1.853 120.919 119.070 -0.005 0.000 3.146 1140 H HA -0.176 4.380 4.556 -0.000 0.000 0.269 1140 H C -1.009 174.313 175.328 -0.011 0.000 0.847 1140 H CA 1.463 57.504 56.048 -0.012 0.000 1.422 1140 H CB 0.361 30.114 29.762 -0.015 0.000 1.274 1140 H HN 0.221 nan 8.280 nan 0.000 0.534 1141 T N 5.542 119.845 114.554 -0.418 0.000 2.879 1141 T HA 0.365 4.715 4.350 -0.000 0.000 0.290 1141 T C -0.527 173.947 174.700 -0.376 0.000 0.993 1141 T CA -0.437 61.504 62.100 -0.266 0.000 0.975 1141 T CB 1.258 70.040 68.868 -0.143 0.000 0.981 1141 T HN 0.714 nan 8.240 nan 0.000 0.439 1142 T N 0.868 115.296 114.554 -0.211 0.000 2.918 1142 T HA 0.470 4.819 4.350 -0.000 0.000 0.286 1142 T C 1.231 175.884 174.700 -0.079 0.000 1.026 1142 T CA -0.950 61.067 62.100 -0.138 0.000 1.031 1142 T CB 1.294 70.155 68.868 -0.013 0.000 1.046 1142 T HN 0.255 nan 8.240 nan 0.000 0.479 1143 L N 1.305 122.487 121.223 -0.069 0.000 2.081 1143 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 1143 L C 2.417 179.270 176.870 -0.029 0.000 1.080 1143 L CA 1.920 56.729 54.840 -0.052 0.000 0.754 1143 L CB -1.043 40.992 42.059 -0.039 0.000 0.893 1143 L HN 0.917 nan 8.230 nan 0.000 0.433 1144 K N -0.651 119.741 120.400 -0.013 0.000 2.103 1144 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 1144 K C 1.967 178.565 176.600 -0.003 0.000 1.048 1144 K CA 1.613 57.901 56.287 0.000 0.000 0.930 1144 K CB -0.154 32.354 32.500 0.013 0.000 0.716 1144 K HN 0.640 nan 8.250 nan 0.000 0.444 1145 S N -0.057 115.638 115.700 -0.008 0.000 2.469 1145 S HA -0.096 4.373 4.470 -0.000 0.000 0.238 1145 S C 1.806 176.399 174.600 -0.012 0.000 0.998 1145 S CA 1.113 59.309 58.200 -0.007 0.000 0.957 1145 S CB -0.208 62.988 63.200 -0.008 0.000 0.764 1145 S HN 0.304 nan 8.310 nan 0.000 0.514 1146 V N -2.119 117.783 119.914 -0.020 0.000 3.379 1146 V HA 0.215 4.335 4.120 -0.000 0.000 0.249 1146 V C 0.621 176.706 176.094 -0.015 0.000 1.184 1146 V CA 0.033 62.320 62.300 -0.021 0.000 1.106 1146 V CB -1.128 30.673 31.823 -0.037 0.000 0.826 1146 V HN 0.273 nan 8.190 nan 0.000 0.465 1147 T N 2.466 117.014 114.554 -0.011 0.000 2.817 1147 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 1147 T C 1.146 175.849 174.700 0.004 0.000 0.958 1147 T CA 0.372 62.470 62.100 -0.002 0.000 1.157 1147 T CB 1.143 70.013 68.868 0.003 0.000 0.898 1147 T HN 0.312 nan 8.240 nan 0.000 0.536 1148 I N 1.490 122.064 120.570 0.008 0.000 3.030 1148 I HA 0.317 4.487 4.170 -0.000 0.000 0.270 1148 I C 1.202 177.329 176.117 0.016 0.000 1.211 1148 I CA 0.179 61.486 61.300 0.011 0.000 1.479 1148 I CB -0.038 37.970 38.000 0.012 0.000 1.105 1148 I HN 0.725 nan 8.210 nan 0.000 0.447 1149 A N 0.126 122.959 122.820 0.021 0.000 2.574 1149 A HA 0.516 4.836 4.320 -0.000 0.000 0.298 1149 A C -0.613 176.992 177.584 0.035 0.000 0.987 1149 A CA -0.479 51.574 52.037 0.026 0.000 0.678 1149 A CB 0.371 19.388 19.000 0.028 0.000 1.296 1149 A HN 0.075 nan 8.150 nan 0.000 0.420 1150 S N 0.204 115.925 115.700 0.035 0.000 2.689 1150 S HA 0.960 5.430 4.470 -0.000 0.000 0.306 1150 S C -0.631 174.001 174.600 0.054 0.000 1.104 1150 S CA -0.603 57.625 58.200 0.048 0.000 0.973 1150 S CB 2.030 65.252 63.200 0.037 0.000 1.121 1150 S HN 0.801 nan 8.310 nan 0.000 0.523 1151 E N -0.047 120.204 120.200 0.085 0.000 2.354 1151 E HA 0.390 4.740 4.350 -0.000 0.000 0.283 1151 E C -1.520 175.151 176.600 0.118 0.000 0.938 1151 E CA -0.411 56.029 56.400 0.067 0.000 0.777 1151 E CB 2.044 31.815 29.700 0.119 0.000 1.222 1151 E HN 0.574 nan 8.360 nan 0.000 0.423 1152 I N 3.297 123.884 120.570 0.029 0.000 2.321 1152 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 1152 I C -0.903 175.294 176.117 0.133 0.000 0.998 1152 I CA -0.458 60.907 61.300 0.108 0.000 1.227 1152 I CB 0.445 38.460 38.000 0.025 0.000 1.368 1152 I HN 0.436 nan 8.210 nan 0.000 0.466 1153 Y N 4.858 125.269 120.300 0.186 0.000 2.587 1153 Y HA 0.333 4.883 4.550 -0.000 0.000 0.337 1153 Y C -0.590 175.480 175.900 0.283 0.000 1.065 1153 Y CA -0.587 57.635 58.100 0.203 0.000 1.126 1153 Y CB 1.748 40.269 38.460 0.102 0.000 1.279 1153 Y HN 0.364 nan 8.280 nan 0.000 0.489 1154 Y N 2.256 122.730 120.300 0.290 0.000 2.478 1154 Y HA 0.334 4.884 4.550 -0.000 0.000 0.329 1154 Y C -0.987 174.891 175.900 -0.036 0.000 0.967 1154 Y CA -0.638 57.439 58.100 -0.038 0.000 1.255 1154 Y CB 0.473 38.815 38.460 -0.197 0.000 1.103 1154 Y HN 0.500 nan 8.280 nan 0.000 0.497 1155 D N 8.724 128.849 120.400 -0.459 0.000 2.346 1155 D HA 0.223 4.863 4.640 -0.000 0.000 0.255 1155 D C -2.250 173.763 176.300 -0.478 0.000 1.276 1155 D CA -1.656 52.155 54.000 -0.315 0.000 0.941 1155 D CB 2.091 42.801 40.800 -0.151 0.000 1.199 1155 D HN 0.312 nan 8.370 nan 0.000 0.537 1156 P HA 0.005 nan 4.420 nan 0.000 0.236 1156 P C 0.158 177.331 177.300 -0.211 0.000 1.177 1156 P CA 0.251 63.074 63.100 -0.462 0.000 0.773 1156 P CB 0.606 32.074 31.700 -0.387 0.000 0.878 1157 D N 1.967 122.282 120.400 -0.141 0.000 2.456 1157 D HA 0.127 4.767 4.640 -0.000 0.000 0.219 1157 D C -1.671 174.610 176.300 -0.031 0.000 1.126 1157 D CA -2.690 51.269 54.000 -0.068 0.000 0.890 1157 D CB 0.548 41.325 40.800 -0.038 0.000 1.025 1157 D HN 0.066 nan 8.370 nan 0.000 0.511 1158 P HA 0.016 nan 4.420 nan 0.000 0.285 1158 P C -0.173 177.217 177.300 0.150 0.000 1.521 1158 P CA 0.207 63.337 63.100 0.051 0.000 0.792 1158 P CB 0.018 31.724 31.700 0.010 0.000 1.613 1159 R N -0.979 119.604 120.500 0.138 0.000 2.504 1159 R HA 0.206 4.546 4.340 -0.000 0.000 0.396 1159 R C -0.332 176.084 176.300 0.193 0.000 0.896 1159 R CA 0.004 56.261 56.100 0.263 0.000 1.152 1159 R CB 0.654 31.015 30.300 0.103 0.000 1.681 1159 R HN 0.199 nan 8.270 nan 0.000 0.537 1160 S N -0.827 114.927 115.700 0.090 0.000 2.658 1160 S HA 0.185 4.655 4.470 -0.000 0.000 0.312 1160 S C -0.723 173.872 174.600 -0.009 0.000 1.006 1160 S CA -0.767 57.455 58.200 0.036 0.000 0.855 1160 S CB 1.318 64.539 63.200 0.034 0.000 1.053 1160 S HN -0.029 nan 8.310 nan 0.000 0.455 1161 T N 2.887 117.418 114.554 -0.038 0.000 2.874 1161 T HA 0.409 4.759 4.350 -0.000 0.000 0.281 1161 T C 1.390 176.055 174.700 -0.058 0.000 0.994 1161 T CA -0.468 61.590 62.100 -0.071 0.000 1.015 1161 T CB 1.310 70.109 68.868 -0.115 0.000 1.028 1161 T HN 0.762 nan 8.240 nan 0.000 0.523 1162 V N 1.125 121.000 119.914 -0.065 0.000 3.623 1162 V HA 0.164 4.284 4.120 -0.000 0.000 0.271 1162 V C 0.531 176.602 176.094 -0.039 0.000 1.248 1162 V CA 0.729 63.015 62.300 -0.024 0.000 1.156 1162 V CB -0.885 30.951 31.823 0.022 0.000 0.870 1162 V HN 0.621 nan 8.190 nan 0.000 0.453 1163 I N 2.180 122.689 120.570 -0.100 0.000 2.354 1163 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 1163 I C -0.985 175.087 176.117 -0.076 0.000 0.989 1163 I CA -2.024 59.210 61.300 -0.110 0.000 1.188 1163 I CB 1.902 39.758 38.000 -0.239 0.000 1.342 1163 I HN -0.043 nan 8.210 nan 0.000 0.457 1164 P HA -0.212 nan 4.420 nan 0.000 0.215 1164 P C 0.984 178.262 177.300 -0.037 0.000 1.157 1164 P CA 1.640 64.722 63.100 -0.030 0.000 0.868 1164 P CB 0.157 31.849 31.700 -0.013 0.000 0.788 1165 E N 0.628 120.805 120.200 -0.038 0.000 2.049 1165 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 1165 E C 1.537 178.106 176.600 -0.052 0.000 1.007 1165 E CA 1.542 57.920 56.400 -0.037 0.000 0.809 1165 E CB -1.285 28.397 29.700 -0.031 0.000 0.749 1165 E HN 0.194 nan 8.360 nan 0.000 0.450 1166 D N 0.728 121.082 120.400 -0.077 0.000 2.350 1166 D HA -0.094 4.545 4.640 -0.000 0.000 0.216 1166 D C 1.687 177.935 176.300 -0.085 0.000 0.968 1166 D CA 0.432 54.377 54.000 -0.091 0.000 0.894 1166 D CB -0.102 40.620 40.800 -0.129 0.000 0.909 1166 D HN 0.168 nan 8.370 nan 0.000 0.520 1167 E N 0.618 120.778 120.200 -0.067 0.000 2.086 1167 E HA -0.279 4.071 4.350 -0.000 0.000 0.205 1167 E C 1.833 178.396 176.600 -0.061 0.000 1.027 1167 E CA 1.224 57.593 56.400 -0.053 0.000 0.830 1167 E CB -0.181 29.499 29.700 -0.034 0.000 0.751 1167 E HN 0.352 nan 8.360 nan 0.000 0.456 1168 E N 0.870 121.036 120.200 -0.056 0.000 2.012 1168 E HA -0.203 4.147 4.350 -0.000 0.000 0.211 1168 E C 2.120 178.664 176.600 -0.092 0.000 1.029 1168 E CA 1.756 58.121 56.400 -0.058 0.000 0.867 1168 E CB -0.706 28.967 29.700 -0.045 0.000 0.790 1168 E HN 0.275 nan 8.360 nan 0.000 0.482 1169 I N 0.145 120.655 120.570 -0.101 0.000 2.354 1169 I HA -0.360 3.810 4.170 -0.000 0.000 0.258 1169 I C 2.061 178.045 176.117 -0.222 0.000 1.111 1169 I CA 1.247 62.464 61.300 -0.140 0.000 1.390 1169 I CB -0.574 37.348 38.000 -0.129 0.000 1.072 1169 I HN 0.217 nan 8.210 nan 0.000 0.441 1170 I N 0.310 120.725 120.570 -0.259 0.000 2.185 1170 I HA -0.252 3.918 4.170 -0.000 0.000 0.235 1170 I C 2.609 178.252 176.117 -0.790 0.000 1.069 1170 I CA 1.284 62.295 61.300 -0.481 0.000 1.354 1170 I CB -1.017 36.778 38.000 -0.341 0.000 1.093 1170 I HN 0.161 nan 8.210 nan 0.000 0.411 1171 Q N 1.471 121.020 119.800 -0.419 0.000 2.217 1171 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 1171 Q C 2.013 177.937 176.000 -0.126 0.000 0.988 1171 Q CA 1.840 57.553 55.803 -0.149 0.000 0.878 1171 Q CB -1.226 27.551 28.738 0.066 0.000 0.909 1171 Q HN 0.507 nan 8.270 nan 0.000 0.424 1172 L N -0.202 120.927 121.223 -0.156 0.000 2.017 1172 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1172 L C 1.997 178.796 176.870 -0.118 0.000 1.073 1172 L CA 1.178 55.959 54.840 -0.099 0.000 0.745 1172 L CB -0.672 41.328 42.059 -0.098 0.000 0.894 1172 L HN 0.457 nan 8.230 nan 0.000 0.432 1173 H N -0.389 118.487 119.070 -0.323 0.000 2.983 1173 H HA 0.060 4.616 4.556 -0.000 0.000 0.222 1173 H C 0.240 175.451 175.328 -0.195 0.000 1.828 1173 H CA 0.453 56.330 56.048 -0.285 0.000 1.309 1173 H CB -0.385 29.168 29.762 -0.349 0.000 1.644 1173 H HN 0.301 nan 8.280 nan 0.000 0.561 1174 F N -1.224 118.720 119.950 -0.010 0.000 2.801 1174 F HA 0.034 4.561 4.527 -0.000 0.000 0.381 1174 F C 1.070 176.839 175.800 -0.053 0.000 0.861 1174 F CA -0.433 57.565 58.000 -0.003 0.000 1.039 1174 F CB 0.554 39.565 39.000 0.018 0.000 1.041 1174 F HN 0.072 nan 8.300 nan 0.000 0.596 1188 Q N 1.274 121.054 119.800 -0.034 0.000 2.199 1188 Q HA 0.650 4.989 4.340 -0.000 0.000 0.205 1188 Q C -0.787 175.221 176.000 0.013 0.000 1.001 1188 Q CA -0.450 55.350 55.803 -0.004 0.000 1.019 1188 Q CB 1.693 30.422 28.738 -0.014 0.000 1.132 1188 Q HN 0.206 nan 8.270 nan 0.000 0.530 1189 S N 0.360 116.087 115.700 0.045 0.000 2.578 1189 S HA 0.296 4.766 4.470 -0.000 0.000 0.283 1189 S C -1.889 172.701 174.600 -0.018 0.000 1.195 1189 S CA -1.821 56.414 58.200 0.060 0.000 1.050 1189 S CB 0.714 63.999 63.200 0.142 0.000 1.012 1189 S HN 0.424 nan 8.310 nan 0.000 0.511 1190 P HA 0.078 nan 4.420 nan 0.000 0.235 1190 P C -0.390 176.603 177.300 -0.512 0.000 1.177 1190 P CA 0.210 63.052 63.100 -0.430 0.000 0.785 1190 P CB 0.022 31.340 31.700 -0.638 0.000 0.885 1191 W N 1.172 122.389 121.300 -0.137 0.000 2.345 1191 W HA 0.374 5.034 4.660 -0.000 0.000 0.308 1191 W C 0.319 176.817 176.519 -0.034 0.000 1.273 1191 W CA -0.821 56.486 57.345 -0.063 0.000 1.243 1191 W CB 0.428 29.889 29.460 0.000 0.000 1.260 1191 W HN -0.127 nan 8.180 nan 0.000 0.509 1192 L N 5.857 127.232 121.223 0.253 0.000 2.309 1192 L HA 0.559 4.899 4.340 -0.000 0.000 0.282 1192 L C -1.024 175.960 176.870 0.190 0.000 1.036 1192 L CA -0.856 54.082 54.840 0.162 0.000 0.806 1192 L CB 0.840 42.958 42.059 0.097 0.000 1.220 1192 L HN 0.305 nan 8.230 nan 0.000 0.429 1193 L N 5.857 127.145 121.223 0.108 0.000 2.298 1193 L HA 0.566 4.906 4.340 -0.000 0.000 0.284 1193 L C -0.850 176.064 176.870 0.074 0.000 1.013 1193 L CA -0.182 54.711 54.840 0.089 0.000 0.824 1193 L CB 0.893 42.969 42.059 0.029 0.000 1.221 1193 L HN 0.721 nan 8.230 nan 0.000 0.418 1194 R N 5.436 126.008 120.500 0.119 0.000 2.437 1194 R HA 0.661 5.001 4.340 -0.000 0.000 0.310 1194 R C -1.673 174.678 176.300 0.084 0.000 0.955 1194 R CA -0.683 55.471 56.100 0.090 0.000 0.851 1194 R CB 1.206 31.577 30.300 0.119 0.000 1.161 1194 R HN 0.723 nan 8.270 nan 0.000 0.446 1195 L N 3.053 124.306 121.223 0.050 0.000 2.341 1195 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 1195 L C -0.133 176.756 176.870 0.032 0.000 1.005 1195 L CA -0.510 54.354 54.840 0.040 0.000 0.818 1195 L CB 1.993 44.067 42.059 0.025 0.000 1.259 1195 L HN 0.539 nan 8.230 nan 0.000 0.418 1196 E N 4.512 124.732 120.200 0.033 0.000 2.073 1196 E HA 0.412 4.762 4.350 -0.000 0.000 0.269 1196 E C -1.029 175.579 176.600 0.013 0.000 0.917 1196 E CA -0.553 55.862 56.400 0.025 0.000 0.757 1196 E CB 0.977 30.696 29.700 0.033 0.000 1.111 1196 E HN 0.487 nan 8.360 nan 0.000 0.410 1197 L N 2.554 123.779 121.223 0.003 0.000 2.456 1197 L HA 0.345 4.685 4.340 -0.000 0.000 0.257 1197 L C 0.357 177.225 176.870 -0.003 0.000 1.162 1197 L CA -0.658 54.178 54.840 -0.007 0.000 0.808 1197 L CB 0.520 42.564 42.059 -0.024 0.000 1.136 1197 L HN 0.525 nan 8.230 nan 0.000 0.466 1198 D N -0.331 120.065 120.400 -0.006 0.000 2.177 1198 D HA 0.206 4.845 4.640 -0.000 0.000 0.247 1198 D C 0.902 177.198 176.300 -0.007 0.000 1.063 1198 D CA -0.323 53.675 54.000 -0.004 0.000 0.867 1198 D CB 1.368 42.166 40.800 -0.002 0.000 1.168 1198 D HN 0.324 nan 8.370 nan 0.000 0.445 1199 R N 2.556 123.054 120.500 -0.004 0.000 2.070 1199 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 1199 R C 1.989 178.285 176.300 -0.006 0.000 1.138 1199 R CA 1.508 57.605 56.100 -0.005 0.000 0.936 1199 R CB -0.366 29.933 30.300 -0.002 0.000 0.839 1199 R HN 0.613 nan 8.270 nan 0.000 0.429 1200 A N 1.025 123.843 122.820 -0.003 0.000 1.896 1200 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 1200 A C 2.344 179.927 177.584 -0.001 0.000 1.206 1200 A CA 2.287 54.324 52.037 -0.001 0.000 0.647 1200 A CB -1.007 17.994 19.000 0.002 0.000 0.828 1200 A HN 0.522 nan 8.150 nan 0.000 0.455 1201 A N -1.413 121.405 122.820 -0.003 0.000 1.940 1201 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 1201 A C 1.907 179.483 177.584 -0.013 0.000 1.176 1201 A CA 1.844 53.878 52.037 -0.005 0.000 0.631 1201 A CB -0.423 18.573 19.000 -0.008 0.000 0.814 1201 A HN 0.451 nan 8.150 nan 0.000 0.446 1202 M N 0.387 119.976 119.600 -0.018 0.000 2.691 1202 M HA 0.056 4.536 4.480 -0.000 0.000 0.227 1202 M C 0.494 176.779 176.300 -0.025 0.000 1.120 1202 M CA 0.437 55.721 55.300 -0.028 0.000 1.034 1202 M CB -1.122 31.459 32.600 -0.032 0.000 1.675 1202 M HN 0.450 nan 8.290 nan 0.000 0.514 1203 N N -0.096 118.594 118.700 -0.017 0.000 2.984 1203 N HA -0.058 4.682 4.740 -0.000 0.000 0.235 1203 N C 1.248 176.748 175.510 -0.017 0.000 1.025 1203 N CA 0.226 53.265 53.050 -0.018 0.000 1.173 1203 N CB -0.501 37.979 38.487 -0.012 0.000 1.615 1203 N HN 0.229 nan 8.380 nan 0.000 0.560 1204 D N 1.344 121.744 120.400 -0.001 0.000 2.200 1204 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 1204 D C -0.168 176.137 176.300 0.008 0.000 1.008 1204 D CA 1.297 55.307 54.000 0.017 0.000 0.872 1204 D CB 0.134 40.968 40.800 0.058 0.000 0.923 1204 D HN 0.206 nan 8.370 nan 0.000 0.447 1205 K N 1.556 121.958 120.400 0.003 0.000 2.459 1205 K HA 0.092 4.412 4.320 -0.000 0.000 0.218 1205 K C -0.807 175.773 176.600 -0.032 0.000 1.067 1205 K CA -0.600 55.682 56.287 -0.009 0.000 1.045 1205 K CB 0.971 33.468 32.500 -0.005 0.000 1.623 1205 K HN -0.015 nan 8.250 nan 0.000 0.509 1206 D N 2.720 123.096 120.400 -0.040 0.000 5.802 1206 D HA -0.172 4.467 4.640 -0.000 0.000 0.186 1206 D C -0.521 175.750 176.300 -0.048 0.000 1.265 1206 D CA 1.341 55.314 54.000 -0.045 0.000 0.778 1206 D CB 0.173 40.943 40.800 -0.051 0.000 1.376 1206 D HN 0.362 nan 8.370 nan 0.000 0.788 1207 L N 2.037 123.231 121.223 -0.047 0.000 2.434 1207 L HA 0.384 4.723 4.340 -0.000 0.000 0.260 1207 L C 0.147 176.982 176.870 -0.058 0.000 0.983 1207 L CA -0.705 54.099 54.840 -0.059 0.000 0.820 1207 L CB 2.568 44.586 42.059 -0.068 0.000 1.361 1207 L HN 0.037 nan 8.230 nan 0.000 0.410 1208 T N 1.690 116.200 114.554 -0.073 0.000 2.863 1208 T HA 0.323 4.673 4.350 -0.000 0.000 0.285 1208 T C 1.060 175.681 174.700 -0.131 0.000 1.009 1208 T CA -0.693 61.367 62.100 -0.067 0.000 0.989 1208 T CB 1.847 70.689 68.868 -0.043 0.000 1.004 1208 T HN 0.422 nan 8.240 nan 0.000 0.455 1209 M N 1.669 121.193 119.600 -0.127 0.000 2.108 1209 M HA -0.050 4.429 4.480 -0.000 0.000 0.261 1209 M C 2.551 178.505 176.300 -0.576 0.000 1.066 1209 M CA 1.849 56.973 55.300 -0.292 0.000 1.107 1209 M CB -1.849 30.680 32.600 -0.118 0.000 1.356 1209 M HN 0.857 nan 8.290 nan 0.000 0.406 1210 G N 0.237 108.894 108.800 -0.238 0.000 2.553 1210 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.218 1210 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.218 1210 G C 1.494 176.209 174.900 -0.308 0.000 1.195 1210 G CA 1.163 46.187 45.100 -0.127 0.000 0.779 1210 G HN 0.542 nan 8.290 nan 0.000 0.577 1211 Q N -0.354 119.325 119.800 -0.201 0.000 1.967 1211 Q HA -0.164 4.176 4.340 -0.000 0.000 0.210 1211 Q C 2.925 178.771 176.000 -0.258 0.000 1.005 1211 Q CA 2.144 57.840 55.803 -0.178 0.000 0.862 1211 Q CB -0.604 28.056 28.738 -0.129 0.000 0.939 1211 Q HN 0.358 nan 8.270 nan 0.000 0.417 1212 V N 0.694 120.431 119.914 -0.296 0.000 2.231 1212 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 1212 V C 2.256 178.111 176.094 -0.398 0.000 1.058 1212 V CA 2.176 64.298 62.300 -0.297 0.000 1.022 1212 V CB -1.647 30.006 31.823 -0.282 0.000 0.640 1212 V HN 0.660 nan 8.190 nan 0.000 0.445 1213 G N -0.193 108.155 108.800 -0.753 0.000 2.553 1213 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 1213 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 1213 G C 1.363 175.969 174.900 -0.489 0.000 1.195 1213 G CA 1.158 45.648 45.100 -1.016 0.000 0.779 1213 G HN 0.525 nan 8.290 nan 0.000 0.577 1214 E N 0.664 120.634 120.200 -0.384 0.000 2.113 1214 E HA -0.206 4.144 4.350 -0.000 0.000 0.210 1214 E C 2.688 179.247 176.600 -0.069 0.000 1.040 1214 E CA 1.107 57.450 56.400 -0.094 0.000 0.847 1214 E CB -0.398 29.265 29.700 -0.062 0.000 0.755 1214 E HN 0.258 nan 8.360 nan 0.000 0.459 1215 R N 0.475 120.904 120.500 -0.119 0.000 2.113 1215 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 1215 R C 2.712 178.970 176.300 -0.070 0.000 1.129 1215 R CA 1.263 57.306 56.100 -0.096 0.000 0.915 1215 R CB -1.429 28.800 30.300 -0.119 0.000 0.837 1215 R HN 0.322 nan 8.270 nan 0.000 0.430 1216 I N 1.155 121.692 120.570 -0.056 0.000 2.091 1216 I HA -0.376 3.794 4.170 -0.000 0.000 0.240 1216 I C 2.517 178.725 176.117 0.152 0.000 1.046 1216 I CA 1.846 63.184 61.300 0.062 0.000 1.306 1216 I CB -0.541 37.517 38.000 0.097 0.000 1.018 1216 I HN 0.122 nan 8.210 nan 0.000 0.404 1217 K N 1.449 121.926 120.400 0.127 0.000 2.059 1217 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 1217 K C 2.110 178.795 176.600 0.142 0.000 1.050 1217 K CA 2.300 58.696 56.287 0.181 0.000 0.927 1217 K CB -0.365 32.258 32.500 0.205 0.000 0.714 1217 K HN 0.663 nan 8.250 nan 0.000 0.447 1218 Q N -1.856 117.983 119.800 0.064 0.000 2.398 1218 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 1218 Q C 1.452 177.434 176.000 -0.030 0.000 0.932 1218 Q CA 1.205 57.026 55.803 0.031 0.000 0.916 1218 Q CB 0.028 28.772 28.738 0.010 0.000 1.024 1218 Q HN 0.115 nan 8.270 nan 0.000 0.504 1219 T N 0.625 115.115 114.554 -0.108 0.000 2.777 1219 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 1219 T C 0.966 175.436 174.700 -0.384 0.000 1.040 1219 T CA 1.361 63.270 62.100 -0.319 0.000 1.141 1219 T CB -0.159 68.372 68.868 -0.562 0.000 0.868 1219 T HN 0.322 nan 8.240 nan 0.000 0.444 1220 F N 0.464 120.430 119.950 0.028 0.000 2.315 1220 F HA 0.294 4.821 4.527 -0.000 0.000 0.284 1220 F C 1.497 177.324 175.800 0.046 0.000 1.049 1220 F CA -0.129 57.893 58.000 0.037 0.000 1.323 1220 F CB 0.013 39.038 39.000 0.043 0.000 1.113 1220 F HN -0.016 nan 8.300 nan 0.000 0.544 1221 K N -0.628 119.919 120.400 0.246 0.000 6.495 1221 K HA -0.274 4.046 4.320 -0.000 0.000 0.185 1221 K C -0.437 176.263 176.600 0.167 0.000 1.420 1221 K CA 1.044 57.431 56.287 0.167 0.000 0.764 1221 K CB -1.331 31.236 32.500 0.112 0.000 0.555 1221 K HN -0.022 nan 8.250 nan 0.000 0.540 1222 N N 2.624 121.403 118.700 0.131 0.000 3.124 1222 N HA 0.128 4.867 4.740 -0.000 0.000 0.284 1222 N C -0.980 174.595 175.510 0.109 0.000 1.209 1222 N CA 1.011 54.129 53.050 0.113 0.000 1.149 1222 N CB 0.026 38.564 38.487 0.085 0.000 1.434 1222 N HN 0.521 nan 8.380 nan 0.000 0.529 1223 D N -1.087 119.388 120.400 0.124 0.000 3.220 1223 D HA -0.005 4.634 4.640 -0.000 0.000 0.445 1223 D C -0.759 175.587 176.300 0.075 0.000 0.966 1223 D CA -0.363 53.696 54.000 0.098 0.000 0.984 1223 D CB -0.937 39.924 40.800 0.102 0.000 1.740 1223 D HN 0.120 nan 8.370 nan 0.000 0.291 1224 L N 1.057 122.343 121.223 0.106 0.000 2.661 1224 L HA 0.599 4.939 4.340 -0.000 0.000 0.263 1224 L C -1.981 174.984 176.870 0.158 0.000 0.956 1224 L CA -0.952 53.924 54.840 0.060 0.000 0.918 1224 L CB 1.422 43.423 42.059 -0.097 0.000 1.280 1224 L HN -0.014 nan 8.230 nan 0.000 0.416 1225 F N 6.236 126.193 119.950 0.012 0.000 2.472 1225 F HA 0.663 5.190 4.527 -0.000 0.000 0.364 1225 F C -0.691 175.117 175.800 0.014 0.000 1.090 1225 F CA -0.195 57.817 58.000 0.019 0.000 1.188 1225 F CB 0.745 39.745 39.000 0.001 0.000 1.105 1225 F HN 0.252 nan 8.300 nan 0.000 0.536 1226 V N 7.699 127.337 119.914 -0.459 0.000 2.735 1226 V HA 0.591 4.711 4.120 -0.000 0.000 0.310 1226 V C -0.052 175.681 176.094 -0.601 0.000 1.061 1226 V CA -0.807 61.252 62.300 -0.402 0.000 0.913 1226 V CB 1.793 33.662 31.823 0.077 0.000 1.005 1226 V HN 0.701 nan 8.190 nan 0.000 0.428 1227 I N 2.248 122.510 120.570 -0.512 0.000 3.264 1227 I HA 0.833 5.003 4.170 -0.000 0.000 0.315 1227 I C -1.342 174.726 176.117 -0.082 0.000 1.154 1227 I CA -0.642 60.261 61.300 -0.663 0.000 0.962 1227 I CB 2.539 40.044 38.000 -0.826 0.000 1.265 1227 I HN 0.883 nan 8.210 nan 0.000 0.463 1228 W N 0.370 121.570 121.300 -0.168 0.000 3.173 1228 W HA 0.628 5.287 4.660 -0.000 0.000 0.313 1228 W C -0.822 175.656 176.519 -0.068 0.000 1.228 1228 W CA -0.840 56.441 57.345 -0.107 0.000 1.185 1228 W CB -0.201 29.213 29.460 -0.076 0.000 1.390 1228 W HN 0.643 nan 8.180 nan 0.000 0.568 1229 S N 0.121 115.942 115.700 0.202 0.000 2.625 1229 S HA 0.565 5.034 4.470 -0.000 0.000 0.258 1229 S C -0.362 174.354 174.600 0.195 0.000 1.256 1229 S CA 0.029 58.294 58.200 0.109 0.000 0.983 1229 S CB 1.321 64.560 63.200 0.066 0.000 1.032 1229 S HN 0.669 nan 8.310 nan 0.000 0.572 1230 E N -0.801 119.465 120.200 0.110 0.000 2.227 1230 E HA 0.298 4.648 4.350 -0.000 0.000 0.268 1230 E C 0.129 176.774 176.600 0.076 0.000 0.907 1230 E CA -0.602 55.867 56.400 0.115 0.000 0.786 1230 E CB 1.208 30.947 29.700 0.066 0.000 1.191 1230 E HN 0.554 nan 8.360 nan 0.000 0.411 1231 D N 2.651 123.093 120.400 0.069 0.000 2.254 1231 D HA -0.268 4.372 4.640 -0.000 0.000 0.201 1231 D C 1.114 177.429 176.300 0.024 0.000 0.998 1231 D CA 0.911 54.932 54.000 0.036 0.000 0.885 1231 D CB 0.175 40.990 40.800 0.026 0.000 0.915 1231 D HN 0.484 nan 8.370 nan 0.000 0.460 1232 N N 1.231 119.946 118.700 0.026 0.000 2.058 1232 N HA -0.119 4.621 4.740 -0.000 0.000 0.191 1232 N C 0.220 175.738 175.510 0.014 0.000 1.037 1232 N CA 0.742 53.801 53.050 0.016 0.000 0.848 1232 N CB 0.032 38.528 38.487 0.015 0.000 1.021 1232 N HN 0.059 nan 8.380 nan 0.000 0.422 1233 D N 0.779 121.189 120.400 0.017 0.000 2.631 1233 D HA -0.167 4.473 4.640 -0.000 0.000 0.225 1233 D C 0.962 177.268 176.300 0.010 0.000 1.189 1233 D CA 0.748 54.756 54.000 0.013 0.000 0.871 1233 D CB 0.410 41.220 40.800 0.017 0.000 1.224 1233 D HN 0.549 nan 8.370 nan 0.000 0.510 1234 E N 0.489 120.693 120.200 0.006 0.000 2.489 1234 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 1234 E C 0.278 176.882 176.600 0.006 0.000 1.057 1234 E CA 0.320 56.723 56.400 0.005 0.000 0.866 1234 E CB 0.413 30.115 29.700 0.003 0.000 0.916 1234 E HN 0.152 nan 8.360 nan 0.000 0.500 1235 K N 1.398 121.803 120.400 0.008 0.000 2.615 1235 K HA 0.295 4.615 4.320 -0.000 0.000 0.249 1235 K C -1.410 175.198 176.600 0.014 0.000 0.977 1235 K CA -0.498 55.795 56.287 0.009 0.000 0.833 1235 K CB 1.324 33.828 32.500 0.007 0.000 1.208 1235 K HN 0.044 nan 8.250 nan 0.000 0.443 1236 L N 5.764 126.996 121.223 0.015 0.000 2.290 1236 L HA 0.489 4.828 4.340 -0.000 0.000 0.284 1236 L C -0.433 176.451 176.870 0.023 0.000 1.078 1236 L CA -0.602 54.251 54.840 0.021 0.000 0.815 1236 L CB 0.305 42.369 42.059 0.010 0.000 1.162 1236 L HN 0.479 nan 8.230 nan 0.000 0.435 1237 I N 3.797 124.390 120.570 0.039 0.000 3.006 1237 I HA 0.504 4.674 4.170 -0.000 0.000 0.306 1237 I C -0.563 175.597 176.117 0.072 0.000 1.250 1237 I CA -0.166 61.156 61.300 0.036 0.000 0.996 1237 I CB 2.561 40.569 38.000 0.014 0.000 1.261 1237 I HN 0.357 nan 8.210 nan 0.000 0.442 1238 I N 3.129 123.730 120.570 0.052 0.000 2.533 1238 I HA 0.554 4.724 4.170 -0.000 0.000 0.290 1238 I C -0.721 175.407 176.117 0.019 0.000 1.056 1238 I CA -0.684 60.663 61.300 0.078 0.000 1.057 1238 I CB 2.023 40.049 38.000 0.043 0.000 1.240 1238 I HN 0.388 nan 8.210 nan 0.000 0.423 1239 R N 4.442 124.926 120.500 -0.026 0.000 2.480 1239 R HA 0.714 5.054 4.340 -0.000 0.000 0.306 1239 R C -1.511 174.703 176.300 -0.144 0.000 0.958 1239 R CA -0.508 55.538 56.100 -0.090 0.000 0.861 1239 R CB 1.957 32.169 30.300 -0.146 0.000 1.171 1239 R HN 0.596 nan 8.270 nan 0.000 0.445 1240 C N 1.552 120.800 119.300 -0.088 0.000 2.707 1240 C HA 0.562 5.022 4.460 -0.000 0.000 0.313 1240 C C 1.145 176.116 174.990 -0.033 0.000 1.209 1240 C CA -0.699 58.261 59.018 -0.095 0.000 1.635 1240 C CB 2.076 29.770 27.740 -0.076 0.000 2.206 1240 C HN 0.948 nan 8.230 nan 0.000 0.485 1241 R N 0.296 120.803 120.500 0.012 0.000 2.789 1241 R HA 0.630 4.969 4.340 -0.000 0.000 0.166 1241 R C -0.702 175.637 176.300 0.064 0.000 0.957 1241 R CA 0.326 56.476 56.100 0.083 0.000 1.084 1241 R CB 0.415 30.825 30.300 0.184 0.000 1.312 1241 R HN 0.558 nan 8.270 nan 0.000 0.546 1242 V N -0.075 119.881 119.914 0.071 0.000 2.134 1242 V HA -0.118 4.002 4.120 -0.000 0.000 0.360 1242 V C -1.376 174.761 176.094 0.072 0.000 1.495 1242 V CA -0.308 62.015 62.300 0.038 0.000 0.967 1242 V CB 0.218 32.056 31.823 0.025 0.000 1.253 1242 V HN 0.213 nan 8.190 nan 0.000 0.218 1243 V N -0.762 119.185 119.914 0.055 0.000 3.188 1243 V HA 0.776 4.896 4.120 -0.000 0.000 0.305 1243 V C 0.277 176.396 176.094 0.041 0.000 1.232 1243 V CA -1.045 61.285 62.300 0.050 0.000 1.043 1243 V CB 2.021 33.877 31.823 0.054 0.000 1.068 1243 V HN 1.068 nan 8.190 nan 0.000 0.439 1255 E N 0.165 120.423 120.200 0.098 0.000 2.529 1255 E HA -0.116 4.234 4.350 -0.000 0.000 0.283 1255 E C 0.194 176.806 176.600 0.021 0.000 1.129 1255 E CA 0.730 57.178 56.400 0.079 0.000 0.883 1255 E CB -1.215 28.547 29.700 0.104 0.000 1.199 1255 E HN 0.735 nan 8.360 nan 0.000 0.438 1256 E N 0.761 120.954 120.200 -0.012 0.000 2.006 1256 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 1256 E C 1.569 177.983 176.600 -0.310 0.000 0.993 1256 E CA 1.334 57.685 56.400 -0.082 0.000 0.808 1256 E CB -0.141 29.633 29.700 0.123 0.000 0.764 1256 E HN 0.595 nan 8.360 nan 0.000 0.449 1257 D N 0.798 120.718 120.400 -0.800 0.000 2.271 1257 D HA -0.232 4.408 4.640 -0.000 0.000 0.207 1257 D C 1.520 177.536 176.300 -0.474 0.000 0.983 1257 D CA 1.162 54.666 54.000 -0.827 0.000 0.878 1257 D CB -0.272 39.652 40.800 -1.459 0.000 0.920 1257 D HN 0.256 nan 8.370 nan 0.000 0.479 1258 H N -0.533 118.371 119.070 -0.277 0.000 2.470 1258 H HA 0.053 4.608 4.556 -0.000 0.000 0.289 1258 H C 1.880 177.139 175.328 -0.115 0.000 1.033 1258 H CA 1.114 57.064 56.048 -0.164 0.000 1.331 1258 H CB 0.098 29.789 29.762 -0.119 0.000 1.414 1258 H HN 0.286 nan 8.280 nan 0.000 0.545 1259 M N 0.086 119.683 119.600 -0.005 0.000 2.394 1259 M HA 0.014 4.494 4.480 -0.000 0.000 0.266 1259 M C 1.862 178.136 176.300 -0.042 0.000 1.098 1259 M CA 0.844 56.138 55.300 -0.010 0.000 1.149 1259 M CB -0.180 32.416 32.600 -0.006 0.000 1.369 1259 M HN 0.103 nan 8.290 nan 0.000 0.450 1260 L N 0.114 121.282 121.223 -0.091 0.000 2.275 1260 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 1260 L C 1.852 178.684 176.870 -0.063 0.000 1.119 1260 L CA 1.741 56.528 54.840 -0.088 0.000 0.790 1260 L CB -0.453 41.541 42.059 -0.109 0.000 0.919 1260 L HN 0.274 nan 8.230 nan 0.000 0.443 1261 K N -0.878 119.487 120.400 -0.057 0.000 2.186 1261 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 1261 K C 1.955 178.557 176.600 0.003 0.000 1.052 1261 K CA 0.963 57.235 56.287 -0.025 0.000 0.965 1261 K CB 0.090 32.581 32.500 -0.016 0.000 0.746 1261 K HN 0.263 nan 8.250 nan 0.000 0.457 1262 K N 0.557 120.962 120.400 0.009 0.000 2.148 1262 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 1262 K C 1.750 178.380 176.600 0.050 0.000 1.050 1262 K CA 0.989 57.293 56.287 0.028 0.000 0.942 1262 K CB 0.055 32.572 32.500 0.028 0.000 0.724 1262 K HN 0.091 nan 8.250 nan 0.000 0.446 1263 I N 1.387 121.974 120.570 0.030 0.000 2.928 1263 I HA -0.158 4.012 4.170 -0.000 0.000 0.266 1263 I C 2.169 178.331 176.117 0.074 0.000 1.234 1263 I CA 0.795 62.124 61.300 0.048 0.000 1.483 1263 I CB -0.080 37.851 38.000 -0.115 0.000 1.097 1263 I HN 0.222 nan 8.210 nan 0.000 0.455 1264 E N 0.715 120.938 120.200 0.039 0.000 2.285 1264 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 1264 E C 1.628 178.264 176.600 0.060 0.000 0.997 1264 E CA 1.197 57.624 56.400 0.044 0.000 0.845 1264 E CB -0.164 29.547 29.700 0.020 0.000 0.782 1264 E HN 0.321 nan 8.360 nan 0.000 0.491 1265 N N -0.367 118.369 118.700 0.061 0.000 2.197 1265 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 1265 N C 1.361 176.914 175.510 0.072 0.000 1.030 1265 N CA 1.820 54.903 53.050 0.055 0.000 0.851 1265 N CB -0.220 38.292 38.487 0.042 0.000 1.003 1265 N HN 0.122 nan 8.380 nan 0.000 0.430 1266 T N 0.783 115.399 114.554 0.104 0.000 2.714 1266 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 1266 T C 1.792 176.557 174.700 0.108 0.000 1.036 1266 T CA 1.229 63.399 62.100 0.118 0.000 1.148 1266 T CB -0.189 68.812 68.868 0.222 0.000 0.856 1266 T HN 0.252 nan 8.240 nan 0.000 0.462 1267 M N -0.064 119.634 119.600 0.164 0.000 2.156 1267 M HA 0.102 4.582 4.480 -0.000 0.000 0.264 1267 M C 2.048 178.384 176.300 0.059 0.000 1.067 1267 M CA 1.270 56.651 55.300 0.134 0.000 1.131 1267 M CB -0.288 32.416 32.600 0.172 0.000 1.368 1267 M HN 0.213 nan 8.290 nan 0.000 0.416 1268 L N -0.750 120.505 121.223 0.053 0.000 2.492 1268 L HA -0.032 4.308 4.340 -0.000 0.000 0.223 1268 L C 0.246 177.132 176.870 0.028 0.000 1.132 1268 L CA 0.809 55.668 54.840 0.032 0.000 0.850 1268 L CB -0.012 42.065 42.059 0.030 0.000 0.966 1268 L HN 0.310 nan 8.230 nan 0.000 0.454 1269 E N -0.352 119.866 120.200 0.030 0.000 3.918 1269 E HA 0.175 4.525 4.350 -0.000 0.000 0.183 1269 E C -0.378 176.236 176.600 0.024 0.000 1.021 1269 E CA -0.040 56.378 56.400 0.029 0.000 1.431 1269 E CB 0.516 30.232 29.700 0.026 0.000 1.140 1269 E HN 0.108 nan 8.360 nan 0.000 0.435 1270 N N 0.499 119.207 118.700 0.014 0.000 1.961 1270 N HA 0.152 4.891 4.740 -0.000 0.000 0.219 1270 N C -1.001 174.487 175.510 -0.037 0.000 1.432 1270 N CA 0.171 53.218 53.050 -0.005 0.000 0.747 1270 N CB 1.026 39.504 38.487 -0.015 0.000 1.121 1270 N HN 0.143 nan 8.380 nan 0.000 0.575 1271 I N 1.429 121.979 120.570 -0.032 0.000 2.478 1271 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 1271 I C -0.542 175.530 176.117 -0.075 0.000 1.042 1271 I CA -0.122 61.137 61.300 -0.069 0.000 1.067 1271 I CB 2.054 40.008 38.000 -0.078 0.000 1.233 1271 I HN -0.212 nan 8.210 nan 0.000 0.431 1272 T N 6.396 120.891 114.554 -0.099 0.000 2.859 1272 T HA 0.384 4.734 4.350 -0.000 0.000 0.281 1272 T C 0.657 175.255 174.700 -0.169 0.000 1.005 1272 T CA -0.537 61.450 62.100 -0.188 0.000 1.025 1272 T CB 2.359 71.118 68.868 -0.181 0.000 0.977 1272 T HN 0.233 nan 8.240 nan 0.000 0.458 1273 L N 1.329 122.434 121.223 -0.197 0.000 2.189 1273 L HA 0.419 4.759 4.340 -0.000 0.000 0.199 1273 L C 1.223 178.013 176.870 -0.133 0.000 1.074 1273 L CA 1.349 56.100 54.840 -0.149 0.000 0.783 1273 L CB -0.455 41.521 42.059 -0.139 0.000 0.955 1273 L HN 0.514 nan 8.230 nan 0.000 0.460 1274 R N -2.307 118.099 120.500 -0.156 0.000 2.906 1274 R HA 0.623 4.963 4.340 -0.000 0.000 0.258 1274 R C -0.338 175.896 176.300 -0.111 0.000 1.156 1274 R CA -0.478 55.557 56.100 -0.109 0.000 0.996 1274 R CB 0.693 30.945 30.300 -0.080 0.000 1.259 1274 R HN 0.127 nan 8.270 nan 0.000 0.462 1275 G N -0.187 108.588 108.800 -0.042 0.000 2.877 1275 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.279 1275 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.279 1275 G C -0.899 174.037 174.900 0.060 0.000 1.431 1275 G CA -0.407 44.702 45.100 0.014 0.000 0.883 1275 G HN 0.475 nan 8.290 nan 0.000 0.547 1276 V N -0.371 119.604 119.914 0.102 0.000 2.864 1276 V HA 0.674 4.794 4.120 -0.000 0.000 0.314 1276 V C 0.673 176.842 176.094 0.126 0.000 1.073 1276 V CA -0.293 62.068 62.300 0.102 0.000 0.956 1276 V CB 1.653 33.504 31.823 0.046 0.000 1.023 1276 V HN 1.247 nan 8.190 nan 0.000 0.435 1277 E N 2.571 122.816 120.200 0.075 0.000 2.458 1277 E HA 0.044 4.394 4.350 -0.000 0.000 0.264 1277 E C 0.299 176.829 176.600 -0.117 0.000 1.097 1277 E CA 0.337 56.681 56.400 -0.094 0.000 0.973 1277 E CB -0.066 29.584 29.700 -0.082 0.000 0.963 1277 E HN 0.695 nan 8.360 nan 0.000 0.451 1278 N N -0.517 118.061 118.700 -0.205 0.000 2.887 1278 N HA -0.197 4.542 4.740 -0.000 0.000 0.219 1278 N C -0.070 175.386 175.510 -0.090 0.000 0.855 1278 N CA 1.630 54.600 53.050 -0.133 0.000 1.164 1278 N CB -1.234 37.202 38.487 -0.085 0.000 0.969 1278 N HN 0.504 nan 8.380 nan 0.000 0.610 1279 I N 2.811 123.349 120.570 -0.054 0.000 2.352 1279 I HA 0.113 4.282 4.170 -0.000 0.000 0.303 1279 I C 1.310 177.436 176.117 0.016 0.000 1.194 1279 I CA 0.546 61.842 61.300 -0.007 0.000 1.518 1279 I CB -0.458 37.557 38.000 0.025 0.000 1.489 1279 I HN 0.099 nan 8.210 nan 0.000 0.702 1280 E N 5.118 125.313 120.200 -0.009 0.000 4.337 1280 E HA 0.290 4.640 4.350 -0.000 0.000 0.516 1280 E C 0.435 177.043 176.600 0.014 0.000 0.822 1280 E CA -0.375 56.030 56.400 0.009 0.000 3.237 1280 E CB 0.253 29.942 29.700 -0.018 0.000 2.124 1280 E HN 0.314 nan 8.360 nan 0.000 0.580 1281 R N -0.590 119.902 120.500 -0.013 0.000 2.492 1281 R HA 0.028 4.368 4.340 -0.000 0.000 0.272 1281 R C -0.800 175.508 176.300 0.013 0.000 0.965 1281 R CA 0.392 56.471 56.100 -0.034 0.000 1.093 1281 R CB -0.241 30.017 30.300 -0.069 0.000 0.868 1281 R HN 0.072 nan 8.270 nan 0.000 0.425 1282 V N 2.974 122.926 119.914 0.064 0.000 2.851 1282 V HA 0.368 4.488 4.120 -0.000 0.000 0.307 1282 V C -0.483 175.702 176.094 0.151 0.000 1.129 1282 V CA -0.778 61.574 62.300 0.086 0.000 0.932 1282 V CB 2.345 34.215 31.823 0.079 0.000 1.024 1282 V HN 0.484 nan 8.190 nan 0.000 0.426 1283 V N 4.092 124.065 119.914 0.098 0.000 3.001 1283 V HA 0.593 4.713 4.120 -0.000 0.000 0.314 1283 V C -0.217 175.917 176.094 0.067 0.000 1.099 1283 V CA -0.806 61.567 62.300 0.121 0.000 0.989 1283 V CB 2.248 34.133 31.823 0.103 0.000 1.040 1283 V HN 0.809 nan 8.190 nan 0.000 0.434 1284 M N 3.693 123.346 119.600 0.088 0.000 2.318 1284 M HA 0.627 5.107 4.480 -0.000 0.000 0.347 1284 M C -0.914 175.493 176.300 0.179 0.000 1.175 1284 M CA -0.207 55.171 55.300 0.130 0.000 1.075 1284 M CB 1.573 34.248 32.600 0.126 0.000 1.614 1284 M HN 0.402 nan 8.290 nan 0.000 0.456 1285 M N 2.215 121.882 119.600 0.112 0.000 2.378 1285 M HA 0.329 4.809 4.480 -0.000 0.000 0.289 1285 M C -1.060 175.045 176.300 -0.325 0.000 1.136 1285 M CA -0.557 54.686 55.300 -0.095 0.000 0.917 1285 M CB 2.302 34.744 32.600 -0.262 0.000 1.669 1285 M HN 0.533 nan 8.290 nan 0.000 0.461 1286 K N 3.017 123.148 120.400 -0.448 0.000 2.290 1286 K HA 0.372 4.691 4.320 -0.000 0.000 0.250 1286 K C -1.220 175.271 176.600 -0.182 0.000 1.092 1286 K CA -0.066 55.804 56.287 -0.695 0.000 1.006 1286 K CB 0.356 32.248 32.500 -1.013 0.000 1.549 1286 K HN 0.580 nan 8.250 nan 0.000 0.436 1287 Y N 1.370 121.558 120.300 -0.186 0.000 2.346 1287 Y HA 0.001 4.551 4.550 -0.000 0.000 0.330 1287 Y C 0.786 176.640 175.900 -0.077 0.000 1.178 1287 Y CA -0.964 57.093 58.100 -0.072 0.000 1.331 1287 Y CB 0.817 39.299 38.460 0.036 0.000 1.253 1287 Y HN 0.407 nan 8.280 nan 0.000 0.529 1288 D N 3.775 124.230 120.400 0.091 0.000 2.277 1288 D HA 0.158 4.798 4.640 -0.000 0.000 0.249 1288 D C -0.510 175.815 176.300 0.042 0.000 1.134 1288 D CA -0.132 53.887 54.000 0.030 0.000 0.863 1288 D CB 0.848 41.649 40.800 0.002 0.000 1.143 1288 D HN 0.489 nan 8.370 nan 0.000 0.458 1289 R N 3.006 123.532 120.500 0.044 0.000 2.538 1289 R HA 0.253 4.593 4.340 -0.000 0.000 0.292 1289 R C -0.747 175.581 176.300 0.047 0.000 1.008 1289 R CA -0.715 55.412 56.100 0.045 0.000 0.896 1289 R CB 1.158 31.493 30.300 0.058 0.000 1.187 1289 R HN 0.229 nan 8.270 nan 0.000 0.440 1290 K N 2.362 122.803 120.400 0.069 0.000 2.270 1290 K HA 0.407 4.727 4.320 -0.000 0.000 0.276 1290 K C -0.796 175.892 176.600 0.146 0.000 1.023 1290 K CA -0.461 55.904 56.287 0.131 0.000 0.955 1290 K CB 1.787 34.395 32.500 0.180 0.000 0.975 1290 K HN 0.296 nan 8.250 nan 0.000 0.471 1291 V N 3.478 123.445 119.914 0.088 0.000 3.147 1291 V HA 0.261 4.381 4.120 -0.000 0.000 0.299 1291 V C -2.713 173.178 176.094 -0.338 0.000 1.302 1291 V CA -2.279 59.961 62.300 -0.101 0.000 1.015 1291 V CB 2.595 34.373 31.823 -0.074 0.000 1.086 1291 V HN 0.545 nan 8.190 nan 0.000 0.437 1292 P HA 0.174 nan 4.420 nan 0.000 0.267 1292 P C -0.443 176.696 177.300 -0.268 0.000 1.209 1292 P CA 0.577 63.314 63.100 -0.604 0.000 0.763 1292 P CB 0.607 31.975 31.700 -0.553 0.000 0.816 1293 S N 5.609 121.203 115.700 -0.177 0.000 2.589 1293 S HA 0.176 4.645 4.470 -0.000 0.000 0.265 1293 S C -0.969 173.582 174.600 -0.082 0.000 1.342 1293 S CA -1.067 57.081 58.200 -0.087 0.000 1.005 1293 S CB -0.255 62.922 63.200 -0.039 0.000 0.909 1293 S HN 0.338 nan 8.310 nan 0.000 0.555 1294 P HA -0.034 nan 4.420 nan 0.000 0.223 1294 P C 1.220 178.501 177.300 -0.032 0.000 1.151 1294 P CA 1.364 64.438 63.100 -0.043 0.000 0.787 1294 P CB -0.409 31.275 31.700 -0.026 0.000 0.788 1295 T N -4.327 110.214 114.554 -0.021 0.000 3.129 1295 T HA 0.388 4.738 4.350 -0.000 0.000 0.251 1295 T C 1.304 176.005 174.700 0.002 0.000 1.117 1295 T CA 1.082 63.180 62.100 -0.003 0.000 1.034 1295 T CB -0.239 68.635 68.868 0.010 0.000 0.968 1295 T HN 0.267 nan 8.240 nan 0.000 0.526 1296 G N 1.372 110.158 108.800 -0.024 0.000 2.793 1296 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.197 1296 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.197 1296 G C -0.408 174.491 174.900 -0.001 0.000 2.112 1296 G CA -0.165 44.925 45.100 -0.016 0.000 1.556 1296 G HN 0.701 nan 8.290 nan 0.000 0.534 1297 E N 0.941 121.172 120.200 0.053 0.000 2.492 1297 E HA 0.401 4.751 4.350 -0.000 0.000 0.266 1297 E C -0.440 176.231 176.600 0.118 0.000 1.187 1297 E CA 0.135 56.608 56.400 0.122 0.000 1.036 1297 E CB 0.198 29.955 29.700 0.096 0.000 0.994 1297 E HN 0.469 nan 8.360 nan 0.000 0.468 1298 Y N -0.638 119.663 120.300 0.002 0.000 2.335 1298 Y HA 0.474 5.024 4.550 -0.000 0.000 0.323 1298 Y C 0.092 175.991 175.900 -0.001 0.000 1.224 1298 Y CA -0.660 57.438 58.100 -0.002 0.000 1.241 1298 Y CB 1.245 39.704 38.460 -0.001 0.000 1.235 1298 Y HN 0.211 nan 8.280 nan 0.000 0.492 1299 V N 1.021 121.000 119.914 0.108 0.000 3.049 1299 V HA 0.358 4.477 4.120 -0.000 0.000 0.309 1299 V C -0.982 175.145 176.094 0.054 0.000 1.148 1299 V CA -2.043 60.297 62.300 0.066 0.000 0.990 1299 V CB 2.066 33.905 31.823 0.026 0.000 1.039 1299 V HN 0.510 nan 8.190 nan 0.000 0.430 1300 K N 1.972 122.397 120.400 0.041 0.000 2.351 1300 K HA 0.199 4.519 4.320 -0.000 0.000 0.287 1300 K C -0.033 176.578 176.600 0.019 0.000 1.068 1300 K CA 0.326 56.631 56.287 0.029 0.000 0.998 1300 K CB 0.416 32.927 32.500 0.019 0.000 0.968 1300 K HN 0.718 nan 8.250 nan 0.000 0.464 1301 E N 5.288 125.500 120.200 0.019 0.000 2.969 1301 E HA 0.125 4.475 4.350 -0.000 0.000 0.213 1301 E C -2.270 174.337 176.600 0.013 0.000 1.107 1301 E CA -2.269 54.139 56.400 0.013 0.000 1.007 1301 E CB 0.491 30.195 29.700 0.008 0.000 1.326 1301 E HN 0.330 nan 8.360 nan 0.000 0.432 1302 P HA -0.131 nan 4.420 nan 0.000 0.261 1302 P C -0.787 176.481 177.300 -0.052 0.000 1.173 1302 P CA 0.715 63.791 63.100 -0.039 0.000 0.760 1302 P CB 0.518 32.164 31.700 -0.089 0.000 0.783 1303 E N 2.577 122.756 120.200 -0.034 0.000 2.299 1303 E HA 0.464 4.813 4.350 -0.000 0.000 0.265 1303 E C -1.180 175.363 176.600 -0.096 0.000 0.911 1303 E CA -1.067 55.339 56.400 0.009 0.000 0.789 1303 E CB 0.935 30.702 29.700 0.111 0.000 1.246 1303 E HN 0.263 nan 8.360 nan 0.000 0.427 1304 W N 1.150 122.456 121.300 0.011 0.000 2.313 1304 W HA 0.514 5.174 4.660 -0.000 0.000 0.328 1304 W C -0.651 175.792 176.519 -0.126 0.000 1.197 1304 W CA -0.182 57.124 57.345 -0.066 0.000 1.235 1304 W CB 1.572 31.006 29.460 -0.044 0.000 1.158 1304 W HN 0.263 nan 8.180 nan 0.000 0.578 1305 V N 3.354 123.226 119.914 -0.070 0.000 3.012 1305 V HA 0.396 4.516 4.120 -0.000 0.000 0.307 1305 V C -0.568 175.386 176.094 -0.234 0.000 1.166 1305 V CA -1.288 60.856 62.300 -0.260 0.000 0.974 1305 V CB 1.865 33.295 31.823 -0.655 0.000 1.040 1305 V HN 0.293 nan 8.190 nan 0.000 0.428 1306 L N 2.760 123.875 121.223 -0.180 0.000 2.295 1306 L HA 0.613 4.953 4.340 -0.000 0.000 0.285 1306 L C -0.103 176.697 176.870 -0.117 0.000 1.035 1306 L CA -0.410 54.367 54.840 -0.105 0.000 0.806 1306 L CB 1.412 43.439 42.059 -0.052 0.000 1.214 1306 L HN 0.636 nan 8.230 nan 0.000 0.426 1307 E N 2.068 122.233 120.200 -0.059 0.000 2.129 1307 E HA 0.235 4.585 4.350 -0.000 0.000 0.268 1307 E C -0.303 176.294 176.600 -0.005 0.000 0.900 1307 E CA -0.361 56.025 56.400 -0.024 0.000 0.755 1307 E CB 2.312 32.023 29.700 0.018 0.000 1.117 1307 E HN 0.516 nan 8.360 nan 0.000 0.410 1308 T N 1.118 115.665 114.554 -0.012 0.000 3.141 1308 T HA -0.049 4.301 4.350 -0.000 0.000 0.391 1308 T C 0.235 174.932 174.700 -0.005 0.000 1.170 1308 T CA 0.461 62.557 62.100 -0.007 0.000 1.054 1308 T CB 0.228 69.087 68.868 -0.016 0.000 1.487 1308 T HN 0.557 nan 8.240 nan 0.000 0.530 1309 D N -0.483 119.910 120.400 -0.012 0.000 4.099 1309 D HA 0.272 4.912 4.640 -0.000 0.000 0.262 1309 D C -0.496 175.788 176.300 -0.026 0.000 1.445 1309 D CA 0.233 54.222 54.000 -0.017 0.000 0.779 1309 D CB -0.390 40.401 40.800 -0.015 0.000 1.348 1309 D HN 0.881 nan 8.370 nan 0.000 0.803 1310 G N -0.373 108.408 108.800 -0.032 0.000 2.361 1310 G HA2 0.342 4.302 3.960 -0.000 0.000 0.299 1310 G HA3 0.342 4.302 3.960 -0.000 0.000 0.299 1310 G C -1.869 173.005 174.900 -0.043 0.000 1.544 1310 G CA -0.481 44.593 45.100 -0.042 0.000 0.860 1310 G HN 0.039 nan 8.290 nan 0.000 0.610 1311 V N 1.437 121.321 119.914 -0.050 0.000 2.487 1311 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 1311 V C -0.601 175.468 176.094 -0.041 0.000 1.028 1311 V CA -0.884 61.386 62.300 -0.049 0.000 0.860 1311 V CB 1.891 33.677 31.823 -0.062 0.000 0.991 1311 V HN 0.807 nan 8.190 nan 0.000 0.427 1312 N N 3.956 122.638 118.700 -0.029 0.000 2.594 1312 N HA 0.323 5.062 4.740 -0.000 0.000 0.280 1312 N C -0.203 175.302 175.510 -0.008 0.000 1.156 1312 N CA -0.465 52.573 53.050 -0.019 0.000 0.831 1312 N CB 1.730 40.208 38.487 -0.015 0.000 1.379 1312 N HN 0.453 nan 8.380 nan 0.000 0.536 1313 L N 2.978 124.198 121.223 -0.005 0.000 2.116 1313 L HA 0.215 4.555 4.340 -0.000 0.000 0.200 1313 L C 2.071 178.951 176.870 0.017 0.000 1.084 1313 L CA 1.867 56.713 54.840 0.009 0.000 0.766 1313 L CB -1.026 41.041 42.059 0.013 0.000 0.930 1313 L HN 0.676 nan 8.230 nan 0.000 0.453 1314 S N -0.996 114.713 115.700 0.014 0.000 2.461 1314 S HA -0.207 4.263 4.470 -0.000 0.000 0.249 1314 S C 1.466 176.076 174.600 0.016 0.000 1.012 1314 S CA 1.550 59.760 58.200 0.016 0.000 0.982 1314 S CB -0.531 62.676 63.200 0.012 0.000 0.764 1314 S HN 0.602 nan 8.310 nan 0.000 0.506 1315 E N 0.828 121.036 120.200 0.014 0.000 2.176 1315 E HA 0.177 4.527 4.350 -0.000 0.000 0.194 1315 E C 2.065 178.676 176.600 0.018 0.000 0.947 1315 E CA 0.801 57.210 56.400 0.015 0.000 0.960 1315 E CB -0.687 29.019 29.700 0.011 0.000 1.002 1315 E HN 0.399 nan 8.360 nan 0.000 0.479 1316 V N 2.712 122.636 119.914 0.017 0.000 3.398 1316 V HA -0.150 3.970 4.120 -0.000 0.000 0.275 1316 V C 2.128 178.240 176.094 0.029 0.000 1.207 1316 V CA 1.251 63.563 62.300 0.020 0.000 1.189 1316 V CB -0.992 30.841 31.823 0.016 0.000 0.838 1316 V HN 0.235 nan 8.190 nan 0.000 0.546 1317 M N 1.184 120.803 119.600 0.031 0.000 2.556 1317 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 1317 M C 2.216 178.539 176.300 0.038 0.000 1.163 1317 M CA 1.770 57.095 55.300 0.041 0.000 1.186 1317 M CB 0.070 32.696 32.600 0.043 0.000 1.321 1317 M HN 0.446 nan 8.290 nan 0.000 0.485 1318 T N -0.747 113.825 114.554 0.030 0.000 3.163 1318 T HA 0.130 4.480 4.350 -0.000 0.000 0.260 1318 T C 0.605 175.321 174.700 0.027 0.000 1.156 1318 T CA -0.111 62.005 62.100 0.027 0.000 1.072 1318 T CB -1.090 67.791 68.868 0.022 0.000 0.937 1318 T HN 0.175 nan 8.240 nan 0.000 0.528 1319 V N 4.560 124.491 119.914 0.028 0.000 2.763 1319 V HA 0.208 4.327 4.120 -0.000 0.000 0.306 1319 V C -1.585 174.530 176.094 0.034 0.000 1.059 1319 V CA -1.459 60.857 62.300 0.027 0.000 1.138 1319 V CB 0.457 32.295 31.823 0.026 0.000 0.940 1319 V HN 0.433 nan 8.190 nan 0.000 0.489 1320 P HA 0.381 nan 4.420 nan 0.000 0.286 1320 P C 0.535 177.869 177.300 0.057 0.000 1.261 1320 P CA 0.477 63.602 63.100 0.042 0.000 0.821 1320 P CB 1.583 33.300 31.700 0.029 0.000 1.013 1321 G N 1.623 110.480 108.800 0.094 0.000 2.175 1321 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.244 1321 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.244 1321 G C 0.135 175.123 174.900 0.147 0.000 0.982 1321 G CA 0.309 45.500 45.100 0.152 0.000 0.641 1321 G HN 0.755 nan 8.290 nan 0.000 0.527 1322 I N -2.884 117.743 120.570 0.096 0.000 3.100 1322 I HA 0.815 4.985 4.170 -0.000 0.000 0.312 1322 I C -0.952 175.208 176.117 0.072 0.000 1.063 1322 I CA -1.302 60.048 61.300 0.084 0.000 1.031 1322 I CB 1.965 40.009 38.000 0.073 0.000 1.243 1322 I HN -0.104 nan 8.210 nan 0.000 0.483 1323 D N 3.683 124.137 120.400 0.091 0.000 2.443 1323 D HA 0.319 4.959 4.640 -0.000 0.000 0.221 1323 D C -1.964 174.393 176.300 0.095 0.000 1.097 1323 D CA -2.023 52.024 54.000 0.079 0.000 0.865 1323 D CB 1.532 42.388 40.800 0.093 0.000 1.034 1323 D HN 0.386 nan 8.370 nan 0.000 0.511 1324 P HA 0.061 nan 4.420 nan 0.000 0.255 1324 P C 0.652 177.991 177.300 0.066 0.000 1.427 1324 P CA 0.135 63.276 63.100 0.069 0.000 0.863 1324 P CB 0.474 32.205 31.700 0.051 0.000 1.444 1325 T N -0.911 113.682 114.554 0.065 0.000 3.004 1325 T HA 0.262 4.612 4.350 -0.000 0.000 0.266 1325 T C 1.252 175.982 174.700 0.050 0.000 0.986 1325 T CA 0.081 62.208 62.100 0.045 0.000 0.902 1325 T CB 0.192 69.069 68.868 0.014 0.000 1.118 1325 T HN 0.077 nan 8.240 nan 0.000 0.522 1326 R N 0.211 120.771 120.500 0.101 0.000 2.531 1326 R HA 0.435 4.775 4.340 -0.000 0.000 0.316 1326 R C 0.287 176.805 176.300 0.363 0.000 0.955 1326 R CA -0.249 55.922 56.100 0.118 0.000 1.120 1326 R CB 0.895 31.169 30.300 -0.045 0.000 1.361 1326 R HN 0.326 nan 8.270 nan 0.000 0.534 1327 I N 1.428 122.175 120.570 0.296 0.000 2.752 1327 I HA -0.053 4.117 4.170 -0.000 0.000 0.287 1327 I C -0.973 175.355 176.117 0.352 0.000 1.188 1327 I CA 0.364 61.837 61.300 0.289 0.000 1.427 1327 I CB 0.356 38.456 38.000 0.165 0.000 1.365 1327 I HN 0.004 nan 8.210 nan 0.000 0.585 1328 Y N 5.572 125.970 120.300 0.163 0.000 2.470 1328 Y HA 0.449 4.999 4.550 -0.000 0.000 0.341 1328 Y C -0.993 174.966 175.900 0.099 0.000 1.021 1328 Y CA -0.861 57.325 58.100 0.143 0.000 1.025 1328 Y CB 1.952 40.529 38.460 0.194 0.000 1.266 1328 Y HN 0.505 nan 8.280 nan 0.000 0.448 1329 T N 5.590 119.759 114.554 -0.642 0.000 2.848 1329 T HA 0.175 4.525 4.350 -0.000 0.000 0.285 1329 T C 0.665 174.887 174.700 -0.797 0.000 0.995 1329 T CA -0.687 61.089 62.100 -0.540 0.000 0.970 1329 T CB 0.920 69.655 68.868 -0.221 0.000 0.976 1329 T HN 0.730 nan 8.240 nan 0.000 0.441 1330 N N 1.381 119.784 118.700 -0.495 0.000 2.223 1330 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 1330 N C 1.014 176.475 175.510 -0.082 0.000 1.016 1330 N CA 0.439 53.338 53.050 -0.251 0.000 0.863 1330 N CB -0.102 38.344 38.487 -0.069 0.000 0.983 1330 N HN 0.409 nan 8.380 nan 0.000 0.429 1331 S N 0.385 116.004 115.700 -0.136 0.000 2.686 1331 S HA 0.069 4.538 4.470 -0.000 0.000 0.324 1331 S C 0.661 175.189 174.600 -0.119 0.000 1.172 1331 S CA -0.835 57.266 58.200 -0.165 0.000 1.127 1331 S CB -1.041 62.057 63.200 -0.170 0.000 1.338 1331 S HN 0.369 nan 8.310 nan 0.000 0.547 1332 F N 4.188 124.140 119.950 0.003 0.000 2.365 1332 F HA 0.056 4.582 4.527 -0.000 0.000 0.300 1332 F C 1.511 177.336 175.800 0.041 0.000 1.090 1332 F CA 0.314 58.343 58.000 0.049 0.000 1.408 1332 F CB -0.532 38.521 39.000 0.089 0.000 1.060 1332 F HN 0.451 nan 8.300 nan 0.000 0.534 1333 I N 1.486 121.791 120.570 -0.442 0.000 2.264 1333 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 1333 I C 2.007 178.088 176.117 -0.061 0.000 1.111 1333 I CA 1.642 62.802 61.300 -0.232 0.000 1.382 1333 I CB -0.865 36.952 38.000 -0.305 0.000 1.060 1333 I HN 0.309 nan 8.210 nan 0.000 0.418 1334 D N 0.916 121.276 120.400 -0.068 0.000 2.087 1334 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 1334 D C 2.269 178.591 176.300 0.037 0.000 0.980 1334 D CA 1.067 55.055 54.000 -0.020 0.000 0.849 1334 D CB -0.118 40.658 40.800 -0.039 0.000 1.001 1334 D HN 0.238 nan 8.370 nan 0.000 0.452 1335 I N 1.412 122.024 120.570 0.069 0.000 2.367 1335 I HA -0.289 3.881 4.170 -0.000 0.000 0.256 1335 I C 2.541 178.732 176.117 0.123 0.000 1.132 1335 I CA 0.795 62.166 61.300 0.118 0.000 1.397 1335 I CB -0.252 37.862 38.000 0.191 0.000 1.074 1335 I HN 0.134 nan 8.210 nan 0.000 0.435 1336 M N 0.513 120.193 119.600 0.134 0.000 2.200 1336 M HA -0.173 4.307 4.480 -0.000 0.000 0.265 1336 M C 1.921 178.273 176.300 0.086 0.000 1.066 1336 M CA 1.896 57.273 55.300 0.129 0.000 1.127 1336 M CB -0.307 32.392 32.600 0.164 0.000 1.379 1336 M HN 0.264 nan 8.290 nan 0.000 0.420 1337 E N -1.068 119.171 120.200 0.065 0.000 2.230 1337 E HA -0.065 4.284 4.350 -0.000 0.000 0.192 1337 E C 1.977 178.602 176.600 0.042 0.000 0.987 1337 E CA 0.728 57.155 56.400 0.046 0.000 0.841 1337 E CB 0.270 29.987 29.700 0.029 0.000 0.783 1337 E HN 0.330 nan 8.360 nan 0.000 0.481 1338 V N 1.151 121.093 119.914 0.046 0.000 2.341 1338 V HA -0.098 4.022 4.120 -0.000 0.000 0.240 1338 V C 1.987 178.111 176.094 0.049 0.000 1.035 1338 V CA 1.051 63.377 62.300 0.044 0.000 1.033 1338 V CB -0.160 31.689 31.823 0.044 0.000 0.678 1338 V HN 0.211 nan 8.190 nan 0.000 0.464 1339 L N 0.403 121.663 121.223 0.062 0.000 2.591 1339 L HA 0.437 4.777 4.340 -0.000 0.000 0.228 1339 L C 0.983 177.888 176.870 0.059 0.000 1.133 1339 L CA 0.648 55.525 54.840 0.063 0.000 0.880 1339 L CB -0.751 41.355 42.059 0.079 0.000 1.033 1339 L HN 0.554 nan 8.230 nan 0.000 0.450 1340 G N 0.437 109.273 108.800 0.061 0.000 2.719 1340 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 1340 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 1340 G C 0.169 175.110 174.900 0.069 0.000 1.201 1340 G CA -0.256 44.879 45.100 0.058 0.000 0.768 1340 G HN -0.015 nan 8.290 nan 0.000 0.629 1341 I N 0.709 121.319 120.570 0.067 0.000 2.113 1341 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 1341 I C 2.433 178.591 176.117 0.069 0.000 1.064 1341 I CA 2.854 64.199 61.300 0.074 0.000 1.320 1341 I CB -0.092 37.948 38.000 0.067 0.000 1.028 1341 I HN 0.701 nan 8.210 nan 0.000 0.406 1342 E N 0.482 120.716 120.200 0.057 0.000 2.171 1342 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 1342 E C 2.137 178.765 176.600 0.047 0.000 0.997 1342 E CA 1.410 57.839 56.400 0.048 0.000 0.810 1342 E CB -0.410 29.312 29.700 0.038 0.000 0.738 1342 E HN 0.671 nan 8.360 nan 0.000 0.467 1343 A N 0.059 122.914 122.820 0.058 0.000 2.072 1343 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 1343 A C 2.297 179.943 177.584 0.102 0.000 1.156 1343 A CA 1.206 53.284 52.037 0.068 0.000 0.701 1343 A CB -0.350 18.694 19.000 0.073 0.000 0.816 1343 A HN 0.300 nan 8.150 nan 0.000 0.458 1344 G N -0.270 108.595 108.800 0.109 0.000 2.404 1344 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.214 1344 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.214 1344 G C 1.705 176.664 174.900 0.097 0.000 1.189 1344 G CA 0.799 45.987 45.100 0.146 0.000 0.789 1344 G HN 0.467 nan 8.290 nan 0.000 0.533 1345 R N 0.679 121.215 120.500 0.060 0.000 2.113 1345 R HA -0.158 4.182 4.340 -0.000 0.000 0.244 1345 R C 2.826 179.148 176.300 0.036 0.000 1.142 1345 R CA 1.760 57.876 56.100 0.027 0.000 0.953 1345 R CB -0.526 29.794 30.300 0.034 0.000 0.860 1345 R HN 0.293 nan 8.270 nan 0.000 0.438 1346 A N 0.564 123.407 122.820 0.039 0.000 1.892 1346 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 1346 A C 2.375 179.996 177.584 0.062 0.000 1.188 1346 A CA 2.166 54.213 52.037 0.017 0.000 0.631 1346 A CB -0.873 18.128 19.000 0.001 0.000 0.822 1346 A HN 0.578 nan 8.150 nan 0.000 0.447 1347 A N -0.768 122.127 122.820 0.124 0.000 1.873 1347 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 1347 A C 2.118 179.787 177.584 0.142 0.000 1.186 1347 A CA 1.687 53.870 52.037 0.243 0.000 0.616 1347 A CB -0.733 18.514 19.000 0.412 0.000 0.823 1347 A HN 0.786 nan 8.150 nan 0.000 0.442 1348 L N -1.121 120.063 121.223 -0.064 0.000 2.051 1348 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 1348 L C 2.252 179.031 176.870 -0.152 0.000 1.076 1348 L CA 2.646 57.236 54.840 -0.416 0.000 0.758 1348 L CB -1.088 40.665 42.059 -0.510 0.000 0.890 1348 L HN 0.577 nan 8.230 nan 0.000 0.433 1349 Y N 0.176 120.393 120.300 -0.138 0.000 2.109 1349 Y HA -0.305 4.245 4.550 -0.000 0.000 0.285 1349 Y C 2.808 178.702 175.900 -0.010 0.000 1.131 1349 Y CA 2.187 60.233 58.100 -0.089 0.000 1.121 1349 Y CB -0.226 38.166 38.460 -0.113 0.000 0.987 1349 Y HN 0.218 nan 8.280 nan 0.000 0.495 1350 K N 0.154 120.803 120.400 0.414 0.000 2.097 1350 K HA -0.344 3.976 4.320 -0.000 0.000 0.214 1350 K C 1.996 178.718 176.600 0.203 0.000 1.052 1350 K CA 2.350 58.795 56.287 0.263 0.000 0.932 1350 K CB -0.271 32.267 32.500 0.064 0.000 0.716 1350 K HN 0.302 nan 8.250 nan 0.000 0.455 1351 E N -0.176 120.142 120.200 0.196 0.000 2.106 1351 E HA -0.096 4.253 4.350 -0.000 0.000 0.192 1351 E C 1.820 178.481 176.600 0.101 0.000 0.984 1351 E CA 0.966 57.476 56.400 0.183 0.000 0.806 1351 E CB 0.020 29.856 29.700 0.227 0.000 0.750 1351 E HN 0.178 nan 8.360 nan 0.000 0.458 1352 V N 0.246 120.159 119.914 -0.001 0.000 2.307 1352 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 1352 V C 2.079 178.142 176.094 -0.052 0.000 1.045 1352 V CA 2.049 64.304 62.300 -0.075 0.000 1.024 1352 V CB -0.679 31.022 31.823 -0.203 0.000 0.651 1352 V HN 0.421 nan 8.190 nan 0.000 0.449 1353 Y N 1.416 121.564 120.300 -0.253 0.000 2.165 1353 Y HA -0.281 4.268 4.550 -0.000 0.000 0.286 1353 Y C 2.617 178.494 175.900 -0.039 0.000 1.155 1353 Y CA 1.944 59.930 58.100 -0.191 0.000 1.164 1353 Y CB -0.137 38.238 38.460 -0.142 0.000 0.978 1353 Y HN 0.308 nan 8.280 nan 0.000 0.513 1354 N N 0.038 118.973 118.700 0.392 0.000 2.166 1354 N HA -0.182 4.557 4.740 -0.000 0.000 0.186 1354 N C 1.844 177.443 175.510 0.148 0.000 1.019 1354 N CA 1.496 54.720 53.050 0.290 0.000 0.856 1354 N CB -0.386 38.221 38.487 0.200 0.000 0.993 1354 N HN 0.304 nan 8.380 nan 0.000 0.426 1355 V N 1.685 121.653 119.914 0.089 0.000 2.515 1355 V HA -0.124 3.996 4.120 -0.000 0.000 0.250 1355 V C 2.122 178.220 176.094 0.007 0.000 1.058 1355 V CA 1.096 63.422 62.300 0.043 0.000 1.064 1355 V CB -0.200 31.638 31.823 0.026 0.000 0.675 1355 V HN 0.231 nan 8.190 nan 0.000 0.461 1356 I N -0.201 120.350 120.570 -0.032 0.000 2.584 1356 I HA -0.030 4.140 4.170 -0.000 0.000 0.255 1356 I C 2.426 178.496 176.117 -0.079 0.000 1.145 1356 I CA 1.141 62.393 61.300 -0.080 0.000 1.462 1356 I CB -0.416 37.492 38.000 -0.153 0.000 1.102 1356 I HN 0.254 nan 8.210 nan 0.000 0.433 1357 A N 0.687 123.462 122.820 -0.075 0.000 2.081 1357 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 1357 A C 2.438 180.045 177.584 0.040 0.000 1.158 1357 A CA 1.163 53.185 52.037 -0.026 0.000 0.724 1357 A CB -0.466 18.567 19.000 0.055 0.000 0.826 1357 A HN 0.462 nan 8.150 nan 0.000 0.463 1358 S N 0.313 116.046 115.700 0.054 0.000 2.368 1358 S HA -0.222 4.247 4.470 -0.000 0.000 0.225 1358 S C 1.499 176.116 174.600 0.029 0.000 1.030 1358 S CA 1.729 59.959 58.200 0.050 0.000 0.999 1358 S CB -0.587 62.645 63.200 0.053 0.000 0.844 1358 S HN 0.478 nan 8.310 nan 0.000 0.459 1359 D N 1.188 121.598 120.400 0.016 0.000 2.310 1359 D HA 0.168 4.808 4.640 -0.000 0.000 0.212 1359 D C 1.385 177.691 176.300 0.010 0.000 0.965 1359 D CA 1.314 55.320 54.000 0.009 0.000 0.879 1359 D CB -0.456 40.343 40.800 -0.002 0.000 0.921 1359 D HN 0.677 nan 8.370 nan 0.000 0.510 1360 G N -0.994 107.812 108.800 0.010 0.000 2.144 1360 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 1360 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 1360 G C 0.384 175.293 174.900 0.013 0.000 0.988 1360 G CA 0.325 45.432 45.100 0.012 0.000 0.659 1360 G HN 0.335 nan 8.290 nan 0.000 0.522 1361 S N -0.723 114.981 115.700 0.006 0.000 2.707 1361 S HA 0.751 5.221 4.470 -0.000 0.000 0.276 1361 S C -0.722 173.914 174.600 0.061 0.000 1.179 1361 S CA -0.418 57.793 58.200 0.018 0.000 0.992 1361 S CB 1.766 64.959 63.200 -0.012 0.000 1.030 1361 S HN 0.890 nan 8.310 nan 0.000 0.554 1362 Y N 0.613 120.858 120.300 -0.091 0.000 2.386 1362 Y HA 0.597 5.147 4.550 -0.000 0.000 0.334 1362 Y C -1.668 174.185 175.900 -0.078 0.000 1.002 1362 Y CA -1.542 56.492 58.100 -0.109 0.000 1.068 1362 Y CB 0.779 39.195 38.460 -0.073 0.000 1.203 1362 Y HN 0.346 nan 8.280 nan 0.000 0.443 1363 V N 6.793 126.603 119.914 -0.174 0.000 2.483 1363 V HA 0.250 4.370 4.120 -0.000 0.000 0.297 1363 V C -0.075 175.885 176.094 -0.222 0.000 1.027 1363 V CA -1.343 60.795 62.300 -0.271 0.000 0.855 1363 V CB 1.571 33.335 31.823 -0.099 0.000 0.995 1363 V HN 0.839 nan 8.190 nan 0.000 0.424 1364 N N 3.280 121.777 118.700 -0.339 0.000 2.359 1364 N HA -0.099 4.641 4.740 -0.000 0.000 0.261 1364 N C 1.193 176.752 175.510 0.081 0.000 1.267 1364 N CA 0.539 53.546 53.050 -0.071 0.000 0.864 1364 N CB 0.389 38.788 38.487 -0.148 0.000 1.063 1364 N HN 0.826 nan 8.380 nan 0.000 0.474 1365 Y N 5.864 126.258 120.300 0.157 0.000 2.064 1365 Y HA -0.456 4.094 4.550 -0.000 0.000 0.262 1365 Y C 2.290 178.217 175.900 0.045 0.000 1.243 1365 Y CA 2.944 61.176 58.100 0.222 0.000 1.096 1365 Y CB -0.117 38.522 38.460 0.297 0.000 0.915 1365 Y HN 0.765 nan 8.280 nan 0.000 0.505 1366 R N -0.837 119.834 120.500 0.285 0.000 2.178 1366 R HA -0.292 4.048 4.340 -0.000 0.000 0.257 1366 R C 1.758 177.994 176.300 -0.107 0.000 1.163 1366 R CA 2.010 58.104 56.100 -0.011 0.000 0.981 1366 R CB -1.323 28.731 30.300 -0.409 0.000 0.878 1366 R HN 0.506 nan 8.270 nan 0.000 0.454 1367 H N 1.000 120.098 119.070 0.046 0.000 2.276 1367 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 1367 H C 2.360 177.648 175.328 -0.067 0.000 1.073 1367 H CA 1.919 57.963 56.048 -0.007 0.000 1.311 1367 H CB -0.498 29.241 29.762 -0.038 0.000 1.379 1367 H HN 0.242 nan 8.280 nan 0.000 0.494 1368 M N 0.395 119.985 119.600 -0.016 0.000 2.080 1368 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 1368 M C 2.775 178.975 176.300 -0.167 0.000 1.068 1368 M CA 1.515 56.702 55.300 -0.189 0.000 1.109 1368 M CB -0.440 31.898 32.600 -0.437 0.000 1.342 1368 M HN 0.251 nan 8.290 nan 0.000 0.405 1369 A N 1.147 123.874 122.820 -0.155 0.000 1.870 1369 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 1369 A C 2.211 179.786 177.584 -0.015 0.000 1.224 1369 A CA 1.911 53.890 52.037 -0.097 0.000 0.650 1369 A CB -1.320 17.571 19.000 -0.182 0.000 0.836 1369 A HN 0.509 nan 8.150 nan 0.000 0.454 1370 L N -0.783 120.449 121.223 0.015 0.000 2.034 1370 L HA -0.228 4.112 4.340 -0.000 0.000 0.217 1370 L C 2.558 179.427 176.870 -0.002 0.000 1.077 1370 L CA 2.865 57.729 54.840 0.040 0.000 0.769 1370 L CB -1.054 41.066 42.059 0.101 0.000 0.890 1370 L HN 0.551 nan 8.230 nan 0.000 0.435 1371 L N -0.396 120.808 121.223 -0.032 0.000 1.970 1371 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 1371 L C 2.543 179.373 176.870 -0.067 0.000 1.071 1371 L CA 1.926 56.723 54.840 -0.070 0.000 0.751 1371 L CB -1.190 40.810 42.059 -0.098 0.000 0.889 1371 L HN 0.045 nan 8.230 nan 0.000 0.432 1372 V N 0.755 120.627 119.914 -0.070 0.000 2.278 1372 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 1372 V C 2.451 178.530 176.094 -0.025 0.000 1.062 1372 V CA 2.295 64.560 62.300 -0.059 0.000 1.038 1372 V CB -0.930 30.883 31.823 -0.017 0.000 0.646 1372 V HN 0.567 nan 8.190 nan 0.000 0.447 1373 D N -0.237 120.161 120.400 -0.004 0.000 2.097 1373 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 1373 D C 2.164 178.464 176.300 -0.000 0.000 0.989 1373 D CA 1.656 55.662 54.000 0.010 0.000 0.827 1373 D CB -0.230 40.584 40.800 0.023 0.000 0.966 1373 D HN 0.374 nan 8.370 nan 0.000 0.456 1374 V N 1.349 121.254 119.914 -0.015 0.000 2.469 1374 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 1374 V C 2.491 178.580 176.094 -0.008 0.000 1.064 1374 V CA 1.281 63.568 62.300 -0.022 0.000 1.066 1374 V CB -0.405 31.387 31.823 -0.053 0.000 0.667 1374 V HN 0.208 nan 8.190 nan 0.000 0.461 1375 M N 0.160 119.753 119.600 -0.011 0.000 2.319 1375 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 1375 M C 2.128 178.449 176.300 0.035 0.000 1.068 1375 M CA 2.026 57.333 55.300 0.013 0.000 1.118 1375 M CB -0.392 32.203 32.600 -0.008 0.000 1.395 1375 M HN 0.651 nan 8.290 nan 0.000 0.435 1376 T N -3.943 110.627 114.554 0.026 0.000 3.023 1376 T HA 0.035 4.384 4.350 -0.000 0.000 0.249 1376 T C 1.748 176.474 174.700 0.043 0.000 1.050 1376 T CA 0.724 62.850 62.100 0.042 0.000 1.088 1376 T CB -0.706 68.186 68.868 0.040 0.000 0.946 1376 T HN 0.391 nan 8.240 nan 0.000 0.480 1377 T N 1.967 116.540 114.554 0.032 0.000 2.531 1377 T HA -0.381 3.969 4.350 -0.000 0.000 0.261 1377 T C 1.975 176.698 174.700 0.038 0.000 1.141 1377 T CA 1.861 63.979 62.100 0.030 0.000 1.176 1377 T CB -1.231 67.641 68.868 0.006 0.000 0.863 1377 T HN 0.396 nan 8.240 nan 0.000 0.424 1378 Q N 1.285 121.108 119.800 0.037 0.000 2.290 1378 Q HA -0.098 4.242 4.340 -0.000 0.000 0.211 1378 Q C 2.066 178.095 176.000 0.049 0.000 0.991 1378 Q CA 1.744 57.572 55.803 0.043 0.000 0.893 1378 Q CB -0.452 28.314 28.738 0.048 0.000 0.913 1378 Q HN 0.926 nan 8.270 nan 0.000 0.428 1379 G N -2.671 106.162 108.800 0.054 0.000 3.819 1379 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.210 1379 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.210 1379 G C 0.262 175.199 174.900 0.063 0.000 1.018 1379 G CA 0.023 45.157 45.100 0.056 0.000 0.882 1379 G HN 0.529 nan 8.290 nan 0.000 0.377 1380 G N -0.307 108.535 108.800 0.070 0.000 3.259 1380 G HA2 0.552 4.512 3.960 -0.000 0.000 0.193 1380 G HA3 0.552 4.512 3.960 -0.000 0.000 0.193 1380 G C -0.951 174.010 174.900 0.102 0.000 1.457 1380 G CA -0.365 44.785 45.100 0.083 0.000 0.771 1380 G HN 0.553 nan 8.290 nan 0.000 0.765 1381 L N 2.190 123.484 121.223 0.119 0.000 2.408 1381 L HA 0.376 4.715 4.340 -0.000 0.000 0.257 1381 L C -0.402 176.551 176.870 0.139 0.000 1.053 1381 L CA -0.363 54.569 54.840 0.154 0.000 0.922 1381 L CB 1.524 43.725 42.059 0.237 0.000 1.261 1381 L HN 0.234 nan 8.230 nan 0.000 0.458 1382 T N 1.012 115.638 114.554 0.119 0.000 2.814 1382 T HA 0.164 4.514 4.350 -0.000 0.000 0.297 1382 T C 0.520 175.310 174.700 0.149 0.000 0.956 1382 T CA -0.340 61.837 62.100 0.128 0.000 1.123 1382 T CB 0.720 69.659 68.868 0.119 0.000 0.902 1382 T HN 0.562 nan 8.240 nan 0.000 0.528 1383 S N 2.302 118.106 115.700 0.173 0.000 2.565 1383 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 1383 S C 0.519 175.272 174.600 0.255 0.000 1.326 1383 S CA -1.025 57.291 58.200 0.192 0.000 1.045 1383 S CB 0.762 64.081 63.200 0.197 0.000 0.918 1383 S HN 0.449 nan 8.310 nan 0.000 0.505 1384 V N 3.053 123.094 119.914 0.212 0.000 1.956 1384 V HA 0.275 4.395 4.120 -0.000 0.000 0.248 1384 V C 0.600 176.915 176.094 0.367 0.000 1.615 1384 V CA 0.211 62.661 62.300 0.250 0.000 1.558 1384 V CB -1.261 30.569 31.823 0.012 0.000 1.529 1384 V HN 1.011 nan 8.190 nan 0.000 0.505 1385 T N 1.561 116.373 114.554 0.429 0.000 2.889 1385 T HA 0.290 4.640 4.350 -0.000 0.000 0.315 1385 T C 1.032 175.715 174.700 -0.029 0.000 1.291 1385 T CA -0.627 61.602 62.100 0.215 0.000 1.028 1385 T CB 1.836 70.801 68.868 0.161 0.000 1.235 1385 T HN 0.587 nan 8.240 nan 0.000 0.491 1386 R N 1.514 121.964 120.500 -0.082 0.000 2.204 1386 R HA -0.199 4.141 4.340 -0.000 0.000 0.253 1386 R C 1.148 177.290 176.300 -0.263 0.000 1.172 1386 R CA 2.268 58.225 56.100 -0.237 0.000 0.994 1386 R CB -0.350 29.688 30.300 -0.436 0.000 0.874 1386 R HN 0.658 nan 8.270 nan 0.000 0.462 1387 H N -0.890 118.161 119.070 -0.032 0.000 2.384 1387 H HA 0.112 4.668 4.556 -0.000 0.000 0.300 1387 H C 1.905 177.221 175.328 -0.021 0.000 1.057 1387 H CA 1.201 57.237 56.048 -0.021 0.000 1.370 1387 H CB -0.551 29.219 29.762 0.014 0.000 1.417 1387 H HN 0.428 nan 8.280 nan 0.000 0.527 1388 G N 1.302 110.180 108.800 0.130 0.000 2.622 1388 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.206 1388 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.206 1388 G C 1.525 176.469 174.900 0.073 0.000 1.458 1388 G CA 0.657 45.831 45.100 0.124 0.000 0.919 1388 G HN 0.379 nan 8.290 nan 0.000 0.508 1389 F N 1.612 121.588 119.950 0.042 0.000 2.091 1389 F HA -0.108 4.418 4.527 -0.000 0.000 0.299 1389 F C 1.828 177.634 175.800 0.009 0.000 1.103 1389 F CA 1.634 59.635 58.000 0.002 0.000 1.228 1389 F CB -0.958 38.006 39.000 -0.059 0.000 0.984 1389 F HN 0.206 nan 8.300 nan 0.000 0.477 1390 N N 0.484 118.597 118.700 -0.979 0.000 2.666 1390 N HA -0.101 4.639 4.740 -0.000 0.000 0.194 1390 N C 0.576 175.986 175.510 -0.166 0.000 1.220 1390 N CA 0.341 53.079 53.050 -0.520 0.000 0.928 1390 N CB -0.269 37.932 38.487 -0.476 0.000 0.997 1390 N HN 0.365 nan 8.380 nan 0.000 0.447 1391 R N -0.618 119.825 120.500 -0.094 0.000 2.586 1391 R HA 0.169 4.509 4.340 -0.000 0.000 0.336 1391 R C 0.496 176.800 176.300 0.006 0.000 1.060 1391 R CA -0.048 56.034 56.100 -0.030 0.000 1.079 1391 R CB 0.217 30.513 30.300 -0.007 0.000 1.317 1391 R HN 0.221 nan 8.270 nan 0.000 0.568 1392 S N 0.502 116.217 115.700 0.024 0.000 2.414 1392 S HA 0.172 4.641 4.470 -0.000 0.000 0.267 1392 S C 0.967 175.581 174.600 0.023 0.000 1.165 1392 S CA -0.565 57.656 58.200 0.036 0.000 1.028 1392 S CB 0.401 63.636 63.200 0.058 0.000 1.154 1392 S HN 0.141 nan 8.310 nan 0.000 0.472 1393 N N 1.169 119.885 118.700 0.027 0.000 2.280 1393 N HA 0.096 4.836 4.740 -0.000 0.000 0.192 1393 N C 0.139 175.662 175.510 0.023 0.000 1.109 1393 N CA 0.412 53.474 53.050 0.021 0.000 0.855 1393 N CB -0.489 38.011 38.487 0.021 0.000 0.974 1393 N HN 0.743 nan 8.380 nan 0.000 0.482 1394 T N -0.188 114.384 114.554 0.030 0.000 2.785 1394 T HA 0.147 4.497 4.350 -0.000 0.000 0.341 1394 T C 1.148 175.865 174.700 0.028 0.000 1.093 1394 T CA -0.307 61.812 62.100 0.032 0.000 1.103 1394 T CB 0.418 69.313 68.868 0.044 0.000 1.011 1394 T HN 0.167 nan 8.240 nan 0.000 0.549 1395 G N -0.315 108.506 108.800 0.035 0.000 2.491 1395 G HA2 0.396 4.356 3.960 -0.000 0.000 0.238 1395 G HA3 0.396 4.356 3.960 -0.000 0.000 0.238 1395 G C 1.180 176.099 174.900 0.032 0.000 1.277 1395 G CA -0.408 44.720 45.100 0.047 0.000 0.851 1395 G HN 1.071 nan 8.290 nan 0.000 0.573 1396 A N 2.330 125.162 122.820 0.021 0.000 1.869 1396 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 1396 A C 2.495 180.054 177.584 -0.043 0.000 1.203 1396 A CA 1.714 53.700 52.037 -0.085 0.000 0.638 1396 A CB -0.633 18.185 19.000 -0.303 0.000 0.831 1396 A HN 0.659 nan 8.150 nan 0.000 0.450 1397 L N -1.378 119.877 121.223 0.053 0.000 2.051 1397 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 1397 L C 2.886 179.779 176.870 0.039 0.000 1.076 1397 L CA 2.241 57.123 54.840 0.069 0.000 0.758 1397 L CB -0.518 41.615 42.059 0.124 0.000 0.890 1397 L HN 0.734 nan 8.230 nan 0.000 0.433 1398 M N -0.330 119.294 119.600 0.041 0.000 2.059 1398 M HA -0.240 4.240 4.480 -0.000 0.000 0.259 1398 M C 2.450 178.781 176.300 0.052 0.000 1.072 1398 M CA 1.810 57.134 55.300 0.040 0.000 1.117 1398 M CB -0.190 32.433 32.600 0.038 0.000 1.320 1398 M HN -0.016 nan 8.290 nan 0.000 0.408 1399 R N 0.104 120.628 120.500 0.041 0.000 2.091 1399 R HA -0.180 4.159 4.340 -0.000 0.000 0.238 1399 R C 2.509 178.839 176.300 0.049 0.000 1.136 1399 R CA 1.816 57.946 56.100 0.050 0.000 0.959 1399 R CB -1.025 29.278 30.300 0.004 0.000 0.856 1399 R HN 0.801 nan 8.270 nan 0.000 0.437 1400 C N 0.535 119.833 119.300 -0.003 0.000 2.460 1400 C HA 0.045 4.505 4.460 -0.000 0.000 0.291 1400 C C 2.015 177.011 174.990 0.009 0.000 1.493 1400 C CA 0.359 59.359 59.018 -0.031 0.000 1.748 1400 C CB -1.312 26.382 27.740 -0.077 0.000 1.656 1400 C HN 0.384 nan 8.230 nan 0.000 0.576 1401 S N -1.492 114.249 115.700 0.067 0.000 2.622 1401 S HA 0.424 4.894 4.470 -0.000 0.000 0.236 1401 S C -0.335 174.387 174.600 0.203 0.000 0.956 1401 S CA -0.483 57.773 58.200 0.092 0.000 0.971 1401 S CB -0.644 62.602 63.200 0.076 0.000 0.782 1401 S HN 0.839 nan 8.310 nan 0.000 0.468 1402 F N 0.889 120.833 119.950 -0.009 0.000 2.654 1402 F HA 0.379 4.906 4.527 -0.000 0.000 0.314 1402 F C 0.249 176.025 175.800 -0.039 0.000 1.116 1402 F CA -0.609 57.397 58.000 0.011 0.000 1.017 1402 F CB 0.844 39.883 39.000 0.066 0.000 1.285 1402 F HN 0.008 nan 8.300 nan 0.000 0.448 1403 E N 2.248 122.016 120.200 -0.720 0.000 4.773 1403 E HA -0.358 3.992 4.350 -0.000 0.000 0.186 1403 E C 0.343 176.756 176.600 -0.311 0.000 1.374 1403 E CA 2.527 58.552 56.400 -0.626 0.000 2.209 1403 E CB -0.687 28.447 29.700 -0.944 0.000 1.921 1403 E HN 0.901 nan 8.360 nan 0.000 0.303 1404 E N 0.715 120.785 120.200 -0.216 0.000 2.736 1404 E HA 0.191 4.541 4.350 -0.000 0.000 0.208 1404 E C 0.752 177.264 176.600 -0.147 0.000 0.996 1404 E CA 0.520 56.823 56.400 -0.162 0.000 1.104 1404 E CB 0.313 29.931 29.700 -0.136 0.000 1.111 1404 E HN 0.276 nan 8.360 nan 0.000 0.455 1405 T N -0.016 114.453 114.554 -0.141 0.000 2.149 1405 T HA -0.354 3.996 4.350 -0.000 0.000 0.187 1405 T C 1.845 176.417 174.700 -0.213 0.000 1.698 1405 T CA 2.046 64.057 62.100 -0.148 0.000 1.017 1405 T CB -0.682 68.104 68.868 -0.137 0.000 0.819 1405 T HN 0.134 nan 8.240 nan 0.000 0.421 1406 V N 1.528 121.276 119.914 -0.275 0.000 2.515 1406 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 1406 V C 2.621 178.403 176.094 -0.521 0.000 1.058 1406 V CA 2.005 64.020 62.300 -0.475 0.000 1.064 1406 V CB -0.778 30.705 31.823 -0.567 0.000 0.675 1406 V HN 0.407 nan 8.190 nan 0.000 0.461 1407 E N 0.074 120.106 120.200 -0.281 0.000 2.106 1407 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 1407 E C 2.021 178.566 176.600 -0.091 0.000 0.984 1407 E CA 1.124 57.452 56.400 -0.122 0.000 0.806 1407 E CB -0.282 29.380 29.700 -0.063 0.000 0.750 1407 E HN 0.541 nan 8.360 nan 0.000 0.458 1408 I N 0.167 120.652 120.570 -0.141 0.000 2.315 1408 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 1408 I C 1.959 177.959 176.117 -0.194 0.000 1.117 1408 I CA 0.848 62.065 61.300 -0.140 0.000 1.404 1408 I CB -0.143 37.778 38.000 -0.132 0.000 1.071 1408 I HN 0.111 nan 8.210 nan 0.000 0.419 1409 L N -0.573 120.504 121.223 -0.244 0.000 2.156 1409 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 1409 L C 2.470 179.262 176.870 -0.131 0.000 1.095 1409 L CA 1.280 55.933 54.840 -0.312 0.000 0.770 1409 L CB -0.486 41.400 42.059 -0.288 0.000 0.914 1409 L HN 0.212 nan 8.230 nan 0.000 0.439 1410 F N 0.625 120.507 119.950 -0.112 0.000 2.113 1410 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 1410 F C 2.663 178.475 175.800 0.020 0.000 1.103 1410 F CA 0.814 58.825 58.000 0.018 0.000 1.248 1410 F CB 0.101 39.129 39.000 0.046 0.000 0.999 1410 F HN 0.096 nan 8.300 nan 0.000 0.475 1411 E N 0.977 121.248 120.200 0.119 0.000 2.265 1411 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 1411 E C 1.871 178.364 176.600 -0.178 0.000 0.996 1411 E CA 1.117 57.468 56.400 -0.082 0.000 0.832 1411 E CB -0.161 29.477 29.700 -0.104 0.000 0.756 1411 E HN 0.304 nan 8.360 nan 0.000 0.491 1412 A N -0.039 122.657 122.820 -0.208 0.000 1.898 1412 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 1412 A C 2.415 179.891 177.584 -0.181 0.000 1.181 1412 A CA 1.550 53.393 52.037 -0.324 0.000 0.620 1412 A CB -1.112 17.413 19.000 -0.792 0.000 0.819 1412 A HN 0.405 nan 8.150 nan 0.000 0.442 1413 G N -0.654 108.089 108.800 -0.095 0.000 2.394 1413 G HA2 0.101 4.061 3.960 -0.000 0.000 0.215 1413 G HA3 0.101 4.061 3.960 -0.000 0.000 0.215 1413 G C 1.674 176.494 174.900 -0.134 0.000 1.165 1413 G CA 1.112 46.217 45.100 0.008 0.000 0.784 1413 G HN 0.778 nan 8.290 nan 0.000 0.535 1414 A N 0.354 122.983 122.820 -0.319 0.000 2.125 1414 A HA 0.167 4.487 4.320 -0.000 0.000 0.219 1414 A C 2.195 179.364 177.584 -0.692 0.000 1.156 1414 A CA 1.953 53.598 52.037 -0.654 0.000 0.671 1414 A CB -0.084 18.340 19.000 -0.960 0.000 0.794 1414 A HN 0.281 nan 8.150 nan 0.000 0.459 1415 S N -1.570 113.861 115.700 -0.449 0.000 2.629 1415 S HA 0.488 4.958 4.470 -0.000 0.000 0.236 1415 S C 0.753 175.251 174.600 -0.169 0.000 1.010 1415 S CA 0.331 58.294 58.200 -0.394 0.000 0.981 1415 S CB 0.391 63.390 63.200 -0.335 0.000 0.919 1415 S HN 1.610 nan 8.310 nan 0.000 0.514 1416 A N 2.022 124.789 122.820 -0.089 0.000 2.640 1416 A HA -0.223 4.097 4.320 -0.000 0.000 0.300 1416 A C 0.294 177.912 177.584 0.058 0.000 1.499 1416 A CA 0.729 52.791 52.037 0.042 0.000 0.759 1416 A CB -1.877 17.217 19.000 0.157 0.000 1.048 1416 A HN 0.617 nan 8.150 nan 0.000 0.450 1417 E N -1.711 118.525 120.200 0.061 0.000 2.425 1417 E HA 0.365 4.715 4.350 -0.000 0.000 0.258 1417 E C -0.126 176.556 176.600 0.136 0.000 1.151 1417 E CA -0.101 56.352 56.400 0.089 0.000 0.958 1417 E CB 0.468 30.209 29.700 0.069 0.000 0.968 1417 E HN 0.687 nan 8.360 nan 0.000 0.451 1418 L N 1.935 123.215 121.223 0.095 0.000 2.404 1418 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 1418 L C -1.186 175.717 176.870 0.056 0.000 0.980 1418 L CA -0.364 54.501 54.840 0.043 0.000 0.836 1418 L CB 1.716 43.788 42.059 0.022 0.000 1.238 1418 L HN 0.338 nan 8.230 nan 0.000 0.408 1419 D N 2.692 123.118 120.400 0.043 0.000 2.232 1419 D HA 0.145 4.784 4.640 -0.000 0.000 0.242 1419 D C 0.192 176.495 176.300 0.006 0.000 1.093 1419 D CA -0.123 53.909 54.000 0.053 0.000 0.845 1419 D CB 1.719 42.582 40.800 0.104 0.000 1.124 1419 D HN 0.585 nan 8.370 nan 0.000 0.467 1420 D N 1.741 122.150 120.400 0.014 0.000 2.178 1420 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 1420 D C 0.887 177.185 176.300 -0.002 0.000 0.980 1420 D CA 0.567 54.570 54.000 0.005 0.000 0.842 1420 D CB -0.021 40.786 40.800 0.012 0.000 0.948 1420 D HN 0.509 nan 8.370 nan 0.000 0.472 1421 C N -0.115 119.187 119.300 0.003 0.000 4.588 1421 C HA -0.154 4.306 4.460 -0.000 0.000 0.295 1421 C C 1.530 176.519 174.990 -0.002 0.000 1.316 1421 C CA -0.192 58.823 59.018 -0.004 0.000 2.041 1421 C CB -2.390 25.337 27.740 -0.020 0.000 1.224 1421 C HN 0.404 nan 8.230 nan 0.000 0.779 1422 R N 0.155 120.660 120.500 0.007 0.000 2.290 1422 R HA 0.194 4.534 4.340 -0.000 0.000 0.197 1422 R C 1.368 177.673 176.300 0.009 0.000 0.913 1422 R CA 0.720 56.827 56.100 0.011 0.000 1.040 1422 R CB 0.323 30.635 30.300 0.020 0.000 0.992 1422 R HN 0.614 nan 8.270 nan 0.000 0.500 1423 G N 0.220 109.025 108.800 0.008 0.000 2.467 1423 G HA2 0.244 4.204 3.960 -0.000 0.000 0.257 1423 G HA3 0.244 4.204 3.960 -0.000 0.000 0.257 1423 G C 1.208 176.102 174.900 -0.009 0.000 1.227 1423 G CA -0.596 44.505 45.100 0.003 0.000 0.835 1423 G HN -0.105 nan 8.290 nan 0.000 0.556 1424 V N 2.106 122.008 119.914 -0.020 0.000 2.252 1424 V HA -0.247 3.872 4.120 -0.000 0.000 0.249 1424 V C 2.955 179.036 176.094 -0.022 0.000 1.056 1424 V CA 2.525 64.806 62.300 -0.030 0.000 1.022 1424 V CB -1.191 30.608 31.823 -0.040 0.000 0.641 1424 V HN 0.668 nan 8.190 nan 0.000 0.445 1425 S N 0.176 115.868 115.700 -0.013 0.000 2.374 1425 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 1425 S C 1.923 176.524 174.600 0.002 0.000 1.037 1425 S CA 1.814 60.012 58.200 -0.003 0.000 1.024 1425 S CB -0.482 62.724 63.200 0.009 0.000 0.861 1425 S HN 0.789 nan 8.310 nan 0.000 0.456 1426 E N 1.924 122.128 120.200 0.006 0.000 2.118 1426 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 1426 E C 1.599 178.196 176.600 -0.005 0.000 0.992 1426 E CA 0.861 57.267 56.400 0.009 0.000 0.804 1426 E CB -0.634 29.073 29.700 0.012 0.000 0.741 1426 E HN 0.570 nan 8.360 nan 0.000 0.458 1427 N N 0.939 119.631 118.700 -0.014 0.000 2.106 1427 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 1427 N C 2.172 177.668 175.510 -0.024 0.000 1.029 1427 N CA 1.088 54.124 53.050 -0.023 0.000 0.848 1427 N CB -0.106 38.362 38.487 -0.031 0.000 1.007 1427 N HN 0.010 nan 8.380 nan 0.000 0.423 1428 V N 2.390 122.291 119.914 -0.022 0.000 2.332 1428 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 1428 V C 2.278 178.363 176.094 -0.016 0.000 1.055 1428 V CA 1.359 63.646 62.300 -0.022 0.000 1.038 1428 V CB -0.399 31.413 31.823 -0.020 0.000 0.651 1428 V HN 0.265 nan 8.190 nan 0.000 0.450 1429 I N -0.856 119.708 120.570 -0.009 0.000 2.394 1429 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 1429 I C 2.020 178.131 176.117 -0.010 0.000 1.136 1429 I CA 1.412 62.710 61.300 -0.004 0.000 1.425 1429 I CB -0.128 37.877 38.000 0.008 0.000 1.079 1429 I HN 0.272 nan 8.210 nan 0.000 0.425 1430 L N 0.153 121.366 121.223 -0.016 0.000 2.529 1430 L HA 0.217 4.557 4.340 -0.000 0.000 0.223 1430 L C 1.300 178.155 176.870 -0.025 0.000 1.113 1430 L CA 0.371 55.197 54.840 -0.023 0.000 0.861 1430 L CB -0.125 41.916 42.059 -0.029 0.000 1.012 1430 L HN 0.424 nan 8.230 nan 0.000 0.461 1431 G N 0.880 109.665 108.800 -0.025 0.000 2.256 1431 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.272 1431 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.272 1431 G C -0.078 174.804 174.900 -0.031 0.000 1.076 1431 G CA -0.077 45.006 45.100 -0.027 0.000 0.882 1431 G HN 0.431 nan 8.290 nan 0.000 0.497 1432 Q N -1.030 118.750 119.800 -0.033 0.000 2.351 1432 Q HA 0.608 4.948 4.340 -0.000 0.000 0.273 1432 Q C 0.406 176.380 176.000 -0.044 0.000 1.077 1432 Q CA -1.126 54.655 55.803 -0.037 0.000 0.843 1432 Q CB 1.693 30.410 28.738 -0.036 0.000 1.367 1432 Q HN 0.380 nan 8.270 nan 0.000 0.449 1433 M N 2.026 121.596 119.600 -0.051 0.000 2.292 1433 M HA 0.229 4.708 4.480 -0.000 0.000 0.342 1433 M C -0.450 175.809 176.300 -0.069 0.000 1.538 1433 M CA -0.074 55.187 55.300 -0.064 0.000 1.163 1433 M CB 0.204 32.758 32.600 -0.077 0.000 1.823 1433 M HN 0.792 nan 8.290 nan 0.000 0.462 1434 A N 7.047 129.827 122.820 -0.068 0.000 2.406 1434 A HA 0.382 4.702 4.320 -0.000 0.000 0.243 1434 A C -2.351 175.181 177.584 -0.088 0.000 1.082 1434 A CA -1.080 50.917 52.037 -0.066 0.000 0.786 1434 A CB -0.514 18.450 19.000 -0.061 0.000 1.029 1434 A HN 0.675 nan 8.150 nan 0.000 0.495 1435 P HA 0.305 nan 4.420 nan 0.000 0.225 1435 P C -0.946 176.283 177.300 -0.118 0.000 1.813 1435 P CA 0.347 63.389 63.100 -0.096 0.000 1.013 1435 P CB -0.677 30.991 31.700 -0.052 0.000 1.961 1436 I N -3.435 117.055 120.570 -0.133 0.000 2.722 1436 I HA 0.786 4.956 4.170 -0.000 0.000 0.295 1436 I C 0.742 176.784 176.117 -0.126 0.000 1.161 1436 I CA -0.819 60.399 61.300 -0.137 0.000 1.032 1436 I CB 1.986 39.917 38.000 -0.114 0.000 1.244 1436 I HN 0.331 nan 8.210 nan 0.000 0.421 1437 G N 4.287 113.019 108.800 -0.114 0.000 2.684 1437 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.332 1437 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.332 1437 G C 0.777 175.660 174.900 -0.029 0.000 1.306 1437 G CA 1.243 46.313 45.100 -0.049 0.000 1.002 1437 G HN 0.936 nan 8.290 nan 0.000 0.545 1438 T N 0.993 115.536 114.554 -0.018 0.000 2.814 1438 T HA -0.168 4.182 4.350 -0.000 0.000 0.264 1438 T C 2.069 176.536 174.700 -0.389 0.000 1.050 1438 T CA 2.650 64.705 62.100 -0.075 0.000 1.147 1438 T CB -0.533 68.302 68.868 -0.054 0.000 0.833 1438 T HN 1.539 nan 8.240 nan 0.000 0.498 1439 G N -0.542 108.062 108.800 -0.327 0.000 3.277 1439 G HA2 0.427 4.387 3.960 -0.000 0.000 0.243 1439 G HA3 0.427 4.387 3.960 -0.000 0.000 0.243 1439 G C 1.239 175.914 174.900 -0.373 0.000 1.107 1439 G CA 0.407 45.275 45.100 -0.385 0.000 0.771 1439 G HN 0.537 nan 8.290 nan 0.000 0.544 1440 A N 0.252 122.877 122.820 -0.326 0.000 2.239 1440 A HA 0.521 4.841 4.320 -0.000 0.000 0.209 1440 A C 0.448 178.104 177.584 0.119 0.000 1.171 1440 A CA 0.312 52.290 52.037 -0.099 0.000 0.768 1440 A CB -0.653 18.298 19.000 -0.081 0.000 0.790 1440 A HN 0.712 nan 8.150 nan 0.000 0.478 1441 F N -4.262 115.750 119.950 0.103 0.000 2.779 1441 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 1441 F C -1.282 174.566 175.800 0.081 0.000 1.164 1441 F CA -1.892 56.197 58.000 0.147 0.000 0.924 1441 F CB 0.500 39.643 39.000 0.239 0.000 1.348 1441 F HN -0.201 nan 8.300 nan 0.000 0.467 1442 D N 0.522 121.095 120.400 0.288 0.000 2.299 1442 D HA 0.670 5.310 4.640 -0.000 0.000 0.243 1442 D C -1.289 175.172 176.300 0.269 0.000 0.982 1442 D CA -0.276 53.824 54.000 0.168 0.000 0.924 1442 D CB 2.748 43.610 40.800 0.104 0.000 1.238 1442 D HN 0.446 nan 8.370 nan 0.000 0.484 1443 V N 2.446 122.462 119.914 0.171 0.000 2.525 1443 V HA 0.428 4.548 4.120 -0.000 0.000 0.299 1443 V C -0.314 175.838 176.094 0.097 0.000 1.034 1443 V CA -0.485 61.913 62.300 0.164 0.000 0.863 1443 V CB 1.569 33.502 31.823 0.182 0.000 0.999 1443 V HN 0.462 nan 8.190 nan 0.000 0.423 1444 M N 5.183 124.830 119.600 0.079 0.000 2.530 1444 M HA 0.662 5.142 4.480 -0.000 0.000 0.307 1444 M C -0.936 175.394 176.300 0.050 0.000 1.161 1444 M CA -0.696 54.637 55.300 0.056 0.000 0.903 1444 M CB 2.303 34.930 32.600 0.045 0.000 1.711 1444 M HN 0.499 nan 8.290 nan 0.000 0.451 1445 I N -0.025 120.571 120.570 0.044 0.000 2.496 1445 I HA 0.257 4.426 4.170 -0.000 0.000 0.285 1445 I C -0.089 176.045 176.117 0.029 0.000 1.080 1445 I CA -0.161 61.165 61.300 0.043 0.000 1.404 1445 I CB -0.089 37.935 38.000 0.041 0.000 1.403 1445 I HN 0.469 nan 8.210 nan 0.000 0.539 1446 D N 4.928 125.343 120.400 0.025 0.000 2.499 1446 D HA 0.055 4.695 4.640 -0.000 0.000 0.225 1446 D C 1.146 177.436 176.300 -0.017 0.000 1.124 1446 D CA -0.117 53.884 54.000 0.001 0.000 0.938 1446 D CB 0.445 41.240 40.800 -0.008 0.000 1.014 1446 D HN 0.621 nan 8.370 nan 0.000 0.517 1447 E N 2.872 123.065 120.200 -0.011 0.000 2.279 1447 E HA -0.280 4.070 4.350 -0.000 0.000 0.205 1447 E C 0.789 177.363 176.600 -0.043 0.000 1.028 1447 E CA 1.219 57.608 56.400 -0.017 0.000 0.830 1447 E CB 0.417 30.111 29.700 -0.011 0.000 0.736 1447 E HN 0.635 nan 8.360 nan 0.000 0.478 1448 E N 0.097 120.263 120.200 -0.056 0.000 1.992 1448 E HA -0.157 4.193 4.350 -0.000 0.000 0.202 1448 E C 2.130 178.637 176.600 -0.155 0.000 1.007 1448 E CA 1.563 57.911 56.400 -0.085 0.000 0.857 1448 E CB -0.500 29.153 29.700 -0.078 0.000 0.796 1448 E HN 0.337 nan 8.360 nan 0.000 0.486 1449 S N 1.371 116.943 115.700 -0.212 0.000 2.441 1449 S HA -0.197 4.273 4.470 -0.000 0.000 0.242 1449 S C 1.909 176.177 174.600 -0.553 0.000 1.018 1449 S CA 1.000 58.923 58.200 -0.462 0.000 0.988 1449 S CB -0.371 62.595 63.200 -0.390 0.000 0.778 1449 S HN 0.181 nan 8.310 nan 0.000 0.498 1450 L N 0.670 121.773 121.223 -0.200 0.000 2.622 1450 L HA 0.274 4.614 4.340 -0.000 0.000 0.233 1450 L C 1.775 178.623 176.870 -0.037 0.000 1.156 1450 L CA 0.630 55.446 54.840 -0.040 0.000 0.866 1450 L CB -0.060 42.010 42.059 0.019 0.000 0.980 1450 L HN 0.255 nan 8.230 nan 0.000 0.448 1451 V N -1.803 118.041 119.914 -0.115 0.000 3.090 1451 V HA -0.010 4.109 4.120 -0.000 0.000 0.237 1451 V C 2.064 178.113 176.094 -0.075 0.000 1.209 1451 V CA 0.395 62.660 62.300 -0.059 0.000 1.209 1451 V CB 0.204 31.995 31.823 -0.052 0.000 0.971 1451 V HN 0.337 nan 8.190 nan 0.000 0.477 1452 K N -0.039 120.248 120.400 -0.189 0.000 2.360 1452 K HA -0.136 4.183 4.320 -0.000 0.000 0.201 1452 K C 0.052 176.630 176.600 -0.036 0.000 1.046 1452 K CA 1.184 57.371 56.287 -0.167 0.000 0.940 1452 K CB -0.238 32.090 32.500 -0.288 0.000 0.748 1452 K HN 0.534 nan 8.250 nan 0.000 0.465 1453 Y N 1.892 122.195 120.300 0.005 0.000 2.691 1453 Y HA 0.204 4.754 4.550 -0.000 0.000 0.338 1453 Y C 0.116 176.021 175.900 0.007 0.000 1.148 1453 Y CA -1.020 57.083 58.100 0.006 0.000 1.430 1453 Y CB -0.155 38.309 38.460 0.008 0.000 1.303 1453 Y HN 0.035 nan 8.280 nan 0.000 0.499 1454 M N 2.095 121.787 119.600 0.153 0.000 2.429 1454 M HA 0.370 4.850 4.480 -0.000 0.000 0.221 1454 M C -3.167 173.168 176.300 0.059 0.000 0.942 1454 M CA -1.309 54.043 55.300 0.087 0.000 0.805 1454 M CB 0.552 33.192 32.600 0.066 0.000 2.336 1454 M HN 0.126 nan 8.290 nan 0.000 0.447 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.026 0.000 0.726