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 3h3v_1_B 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 LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX 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 0.000 176.083 176.094 -0.019 0.000 1.182 2 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 2 V CB 0.000 31.802 31.823 -0.034 0.000 1.184 3 G N 4.041 112.832 108.800 -0.015 0.000 4.616 3 G HA2 0.228 4.188 3.960 -0.000 0.000 0.214 3 G HA3 0.228 4.188 3.960 -0.000 0.000 0.214 3 G C 0.014 174.909 174.900 -0.009 0.000 0.653 3 G CA 0.489 45.581 45.100 -0.012 0.000 0.816 3 G HN 1.199 nan 8.290 nan 0.000 0.601 4 Q N -0.268 119.528 119.800 -0.008 0.000 3.246 4 Q HA -0.140 4.200 4.340 -0.000 0.000 0.026 4 Q C -0.582 175.426 176.000 0.014 0.000 1.717 4 Q CA 0.838 56.639 55.803 -0.003 0.000 0.236 4 Q CB -0.445 28.282 28.738 -0.017 0.000 0.602 4 Q HN 0.500 nan 8.270 nan 0.000 0.322 5 Q N -0.620 119.199 119.800 0.031 0.000 2.554 5 Q HA -0.158 4.182 4.340 -0.000 0.000 0.224 5 Q C -1.330 174.732 176.000 0.104 0.000 1.291 5 Q CA 0.387 56.221 55.803 0.052 0.000 0.526 5 Q CB -0.882 27.867 28.738 0.018 0.000 0.663 5 Q HN 0.588 nan 8.270 nan 0.000 0.319 6 Y N 2.129 122.422 120.300 -0.012 0.000 2.620 6 Y HA 0.267 4.817 4.550 -0.000 0.000 0.330 6 Y C -0.091 175.805 175.900 -0.006 0.000 1.186 6 Y CA 0.426 58.521 58.100 -0.009 0.000 1.467 6 Y CB 0.771 39.227 38.460 -0.007 0.000 1.262 6 Y HN 0.408 nan 8.280 nan 0.000 0.550 7 S N 4.054 119.738 115.700 -0.026 0.000 2.456 7 S HA 0.314 4.784 4.470 -0.000 0.000 0.316 7 S C 0.816 175.181 174.600 -0.392 0.000 1.089 7 S CA -0.168 57.866 58.200 -0.277 0.000 1.101 7 S CB 0.499 63.662 63.200 -0.062 0.000 0.995 7 S HN 0.879 nan 8.310 nan 0.000 0.468 8 S N 4.531 119.874 115.700 -0.596 0.000 2.423 8 S HA 0.112 4.582 4.470 -0.000 0.000 0.231 8 S C 1.045 175.609 174.600 -0.060 0.000 1.014 8 S CA 0.429 58.447 58.200 -0.304 0.000 0.965 8 S CB -0.589 62.455 63.200 -0.260 0.000 0.785 8 S HN 1.047 nan 8.310 nan 0.000 0.495 9 A N 3.844 126.621 122.820 -0.072 0.000 2.507 9 A HA 0.451 4.771 4.320 -0.000 0.000 0.235 9 A C -1.088 176.506 177.584 0.017 0.000 1.070 9 A CA -0.856 51.168 52.037 -0.022 0.000 0.768 9 A CB -0.509 18.475 19.000 -0.027 0.000 1.011 9 A HN 0.534 nan 8.150 nan 0.000 0.502 10 P HA 0.357 nan 4.420 nan 0.000 0.275 10 P C -1.045 176.268 177.300 0.022 0.000 1.270 10 P CA -0.213 62.903 63.100 0.026 0.000 0.791 10 P CB 0.614 32.324 31.700 0.016 0.000 1.089 11 L N -0.013 121.223 121.223 0.021 0.000 2.457 11 L HA 0.472 4.812 4.340 -0.000 0.000 0.266 11 L C -0.318 176.555 176.870 0.005 0.000 0.979 11 L CA -0.273 54.576 54.840 0.014 0.000 0.857 11 L CB 1.079 43.151 42.059 0.022 0.000 1.213 11 L HN 0.335 nan 8.230 nan 0.000 0.418 12 R N 1.275 121.774 120.500 -0.003 0.000 2.960 12 R HA 0.816 5.156 4.340 -0.000 0.000 0.249 12 R C -0.752 175.539 176.300 -0.015 0.000 1.192 12 R CA -0.547 55.548 56.100 -0.008 0.000 1.035 12 R CB 2.103 32.397 30.300 -0.009 0.000 1.234 12 R HN 0.646 nan 8.270 nan 0.000 0.493 13 T N -2.108 112.434 114.554 -0.020 0.000 2.888 13 T HA 0.386 4.736 4.350 -0.000 0.000 0.284 13 T C 0.120 174.800 174.700 -0.033 0.000 1.017 13 T CA -0.756 61.328 62.100 -0.026 0.000 1.022 13 T CB 1.491 70.342 68.868 -0.027 0.000 1.013 13 T HN 0.138 nan 8.240 nan 0.000 0.465 14 V N 3.983 123.873 119.914 -0.041 0.000 2.599 14 V HA 0.132 4.252 4.120 -0.000 0.000 0.300 14 V C 1.128 177.190 176.094 -0.054 0.000 1.034 14 V CA 0.139 62.407 62.300 -0.053 0.000 1.115 14 V CB 0.475 32.261 31.823 -0.062 0.000 0.934 14 V HN 0.919 nan 8.190 nan 0.000 0.485 15 K N 2.775 123.139 120.400 -0.060 0.000 2.344 15 K HA 0.303 4.623 4.320 -0.000 0.000 0.200 15 K C 0.309 176.864 176.600 -0.074 0.000 1.132 15 K CA 0.390 56.643 56.287 -0.056 0.000 0.935 15 K CB 0.788 33.262 32.500 -0.043 0.000 1.089 15 K HN 0.727 nan 8.250 nan 0.000 0.496 16 E N 0.837 120.980 120.200 -0.096 0.000 2.336 16 E HA 0.433 4.783 4.350 -0.000 0.000 0.267 16 E C -1.154 175.326 176.600 -0.200 0.000 0.906 16 E CA -0.846 55.474 56.400 -0.133 0.000 0.781 16 E CB 3.021 32.648 29.700 -0.120 0.000 1.261 16 E HN -0.277 nan 8.360 nan 0.000 0.436 17 V N 2.349 122.087 119.914 -0.292 0.000 2.380 17 V HA 0.163 4.283 4.120 -0.000 0.000 0.286 17 V C -0.607 175.097 176.094 -0.651 0.000 1.015 17 V CA -0.816 61.196 62.300 -0.480 0.000 0.834 17 V CB 1.363 32.844 31.823 -0.570 0.000 1.009 17 V HN 0.552 nan 8.190 nan 0.000 0.428 18 Q N 4.093 123.551 119.800 -0.571 0.000 2.360 18 Q HA 0.473 4.812 4.340 -0.000 0.000 0.254 18 Q C -0.941 174.734 176.000 -0.542 0.000 0.975 18 Q CA -0.073 55.386 55.803 -0.574 0.000 0.912 18 Q CB 1.245 29.597 28.738 -0.643 0.000 1.212 18 Q HN 0.648 nan 8.270 nan 0.000 0.452 19 F N 1.002 120.797 119.950 -0.259 0.000 2.404 19 F HA 0.598 5.125 4.527 -0.000 0.000 0.345 19 F C 1.166 176.851 175.800 -0.191 0.000 1.110 19 F CA -0.330 57.562 58.000 -0.181 0.000 1.130 19 F CB 1.629 40.574 39.000 -0.092 0.000 1.129 19 F HN 0.534 nan 8.300 nan 0.000 0.500 20 G N 3.096 111.949 108.800 0.089 0.000 2.815 20 G HA2 0.716 4.676 3.960 -0.000 0.000 0.305 20 G HA3 0.716 4.676 3.960 -0.000 0.000 0.305 20 G C -1.849 173.084 174.900 0.056 0.000 1.277 20 G CA -0.875 44.257 45.100 0.054 0.000 0.795 20 G HN 0.462 nan 8.290 nan 0.000 0.528 21 L N -0.346 120.858 121.223 -0.031 0.000 2.370 21 L HA 0.551 4.891 4.340 -0.000 0.000 0.266 21 L C -0.977 175.658 176.870 -0.392 0.000 1.002 21 L CA -0.772 54.029 54.840 -0.065 0.000 0.818 21 L CB 2.425 44.536 42.059 0.086 0.000 1.325 21 L HN 0.383 nan 8.230 nan 0.000 0.418 22 F N 1.017 120.716 119.950 -0.419 0.000 2.443 22 F HA 0.148 4.675 4.527 -0.000 0.000 0.353 22 F C 0.977 176.316 175.800 -0.768 0.000 1.101 22 F CA 0.146 57.857 58.000 -0.482 0.000 1.226 22 F CB 1.335 40.181 39.000 -0.256 0.000 1.140 22 F HN 0.458 nan 8.300 nan 0.000 0.557 23 S N 5.617 120.915 115.700 -0.669 0.000 2.513 23 S HA 0.289 4.759 4.470 -0.000 0.000 0.276 23 S C -1.714 172.962 174.600 0.127 0.000 1.254 23 S CA -1.324 56.684 58.200 -0.319 0.000 1.053 23 S CB 1.358 64.596 63.200 0.063 0.000 0.958 23 S HN 0.480 nan 8.310 nan 0.000 0.491 24 P HA -0.129 nan 4.420 nan 0.000 0.227 24 P C 0.352 177.778 177.300 0.211 0.000 1.145 24 P CA 1.197 64.438 63.100 0.235 0.000 0.769 24 P CB 0.136 31.977 31.700 0.236 0.000 0.769 25 E N -0.238 120.083 120.200 0.202 0.000 2.206 25 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 25 E C 2.108 178.786 176.600 0.130 0.000 0.935 25 E CA 0.351 56.847 56.400 0.159 0.000 0.875 25 E CB -0.629 29.158 29.700 0.145 0.000 0.841 25 E HN 0.275 nan 8.360 nan 0.000 0.477 26 E N 0.918 121.176 120.200 0.096 0.000 2.085 26 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 26 E C 1.828 178.531 176.600 0.171 0.000 0.994 26 E CA 1.655 58.077 56.400 0.037 0.000 0.801 26 E CB 0.035 29.620 29.700 -0.191 0.000 0.743 26 E HN 0.048 nan 8.360 nan 0.000 0.453 27 V N 1.154 121.257 119.914 0.315 0.000 2.317 27 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 27 V C 2.478 178.672 176.094 0.167 0.000 1.065 27 V CA 2.417 64.907 62.300 0.316 0.000 1.049 27 V CB -0.684 31.300 31.823 0.267 0.000 0.651 27 V HN 0.297 nan 8.190 nan 0.000 0.450 28 R N -0.050 120.542 120.500 0.154 0.000 2.062 28 R HA -0.071 4.268 4.340 -0.000 0.000 0.231 28 R C 2.565 178.859 176.300 -0.010 0.000 1.136 28 R CA 1.391 57.520 56.100 0.049 0.000 0.948 28 R CB -0.788 29.589 30.300 0.128 0.000 0.845 28 R HN 0.522 nan 8.270 nan 0.000 0.430 29 A N 1.864 124.709 122.820 0.042 0.000 1.870 29 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 29 A C 2.208 179.804 177.584 0.020 0.000 1.224 29 A CA 1.872 53.926 52.037 0.028 0.000 0.650 29 A CB -0.881 18.137 19.000 0.031 0.000 0.836 29 A HN 0.235 nan 8.150 nan 0.000 0.454 30 I N -0.474 120.127 120.570 0.051 0.000 2.127 30 I HA -0.163 4.006 4.170 -0.000 0.000 0.241 30 I C 1.605 177.751 176.117 0.049 0.000 1.075 30 I CA 0.924 62.266 61.300 0.070 0.000 1.334 30 I CB -0.652 37.427 38.000 0.131 0.000 1.040 30 I HN 0.327 nan 8.210 nan 0.000 0.405 31 S N 0.465 116.160 115.700 -0.009 0.000 2.642 31 S HA -0.025 4.445 4.470 -0.000 0.000 0.308 31 S C 0.832 175.381 174.600 -0.086 0.000 1.255 31 S CA 0.219 58.363 58.200 -0.094 0.000 1.057 31 S CB 0.752 63.665 63.200 -0.479 0.000 0.785 31 S HN 0.283 nan 8.310 nan 0.000 0.500 32 V N 2.449 122.347 119.914 -0.026 0.000 3.528 32 V HA 0.748 4.868 4.120 -0.000 0.000 0.294 32 V C 0.261 176.336 176.094 -0.031 0.000 1.404 32 V CA 0.484 62.768 62.300 -0.028 0.000 1.065 32 V CB -0.301 31.512 31.823 -0.017 0.000 0.904 32 V HN 0.928 nan 8.190 nan 0.000 0.435 33 A N 0.271 123.078 122.820 -0.021 0.000 2.398 33 A HA 0.812 5.131 4.320 -0.000 0.000 0.301 33 A C 0.395 178.041 177.584 0.103 0.000 1.041 33 A CA -0.565 51.481 52.037 0.015 0.000 0.711 33 A CB 1.906 20.915 19.000 0.014 0.000 1.240 33 A HN 0.059 nan 8.150 nan 0.000 0.420 34 K N 1.170 121.648 120.400 0.129 0.000 2.002 34 K HA 0.142 4.462 4.320 -0.000 0.000 0.209 34 K C 0.363 177.086 176.600 0.205 0.000 1.048 34 K CA 1.465 57.906 56.287 0.256 0.000 0.930 34 K CB -0.485 32.100 32.500 0.142 0.000 0.714 34 K HN 0.885 nan 8.250 nan 0.000 0.438 35 I N 0.584 121.214 120.570 0.099 0.000 6.907 35 I HA -0.333 3.837 4.170 -0.000 0.000 0.126 35 I C 0.497 176.664 176.117 0.083 0.000 1.831 35 I CA 0.066 61.408 61.300 0.071 0.000 2.040 35 I CB -0.643 37.402 38.000 0.075 0.000 3.562 35 I HN 0.205 nan 8.210 nan 0.000 0.170 36 R N 1.682 122.280 120.500 0.164 0.000 2.191 36 R HA 0.262 4.602 4.340 -0.000 0.000 0.196 36 R C 0.402 176.904 176.300 0.336 0.000 0.991 36 R CA 0.440 56.682 56.100 0.236 0.000 1.075 36 R CB 0.293 30.771 30.300 0.296 0.000 1.040 36 R HN 0.180 nan 8.270 nan 0.000 0.526 37 F N 2.159 122.104 119.950 -0.009 0.000 2.429 37 F HA 0.184 4.711 4.527 -0.000 0.000 0.348 37 F C -1.185 174.606 175.800 -0.015 0.000 1.109 37 F CA -2.788 55.205 58.000 -0.011 0.000 1.232 37 F CB 0.454 39.450 39.000 -0.007 0.000 1.157 37 F HN -0.099 nan 8.300 nan 0.000 0.564 38 P HA -0.028 nan 4.420 nan 0.000 0.220 38 P C -0.304 177.035 177.300 0.065 0.000 1.154 38 P CA 0.606 63.745 63.100 0.064 0.000 0.837 38 P CB 0.288 31.995 31.700 0.012 0.000 0.815 39 E N 0.007 120.256 120.200 0.081 0.000 2.458 39 E HA -0.004 4.346 4.350 -0.000 0.000 0.264 39 E C 1.021 177.667 176.600 0.076 0.000 1.097 39 E CA 0.359 56.800 56.400 0.068 0.000 0.973 39 E CB -0.015 29.737 29.700 0.087 0.000 0.963 39 E HN 0.032 nan 8.360 nan 0.000 0.451 40 T N 0.958 115.549 114.554 0.062 0.000 2.732 40 T HA -0.123 4.227 4.350 -0.000 0.000 0.261 40 T C 0.924 175.651 174.700 0.044 0.000 1.040 40 T CA 2.096 64.231 62.100 0.057 0.000 1.145 40 T CB -0.033 68.874 68.868 0.065 0.000 0.866 40 T HN 0.599 nan 8.240 nan 0.000 0.427 41 M N -1.709 117.920 119.600 0.048 0.000 1.421 41 M HA 0.314 4.794 4.480 -0.000 0.000 0.569 41 M C -1.513 174.813 176.300 0.044 0.000 2.224 41 M CA -0.531 54.791 55.300 0.037 0.000 0.520 41 M CB -0.252 32.356 32.600 0.014 0.000 4.348 41 M HN -0.267 nan 8.290 nan 0.000 0.592 42 D N 3.223 123.643 120.400 0.032 0.000 3.478 42 D HA -0.103 4.537 4.640 -0.000 0.000 0.219 42 D C -0.756 175.566 176.300 0.036 0.000 1.143 42 D CA 1.235 55.254 54.000 0.031 0.000 1.047 42 D CB -0.193 40.627 40.800 0.034 0.000 0.820 42 D HN 0.733 nan 8.370 nan 0.000 0.393 43 E N 0.394 120.610 120.200 0.026 0.000 2.950 43 E HA 0.125 4.475 4.350 -0.000 0.000 0.312 43 E C 0.046 176.665 176.600 0.030 0.000 1.258 43 E CA -0.052 56.365 56.400 0.029 0.000 1.363 43 E CB -0.415 29.293 29.700 0.014 0.000 1.109 43 E HN 0.304 nan 8.360 nan 0.000 0.484 44 T N 1.304 115.879 114.554 0.036 0.000 4.338 44 T HA -0.207 4.143 4.350 -0.000 0.000 0.345 44 T C 0.519 175.233 174.700 0.023 0.000 0.755 44 T CA 0.639 62.756 62.100 0.028 0.000 1.995 44 T CB -1.679 67.203 68.868 0.024 0.000 1.873 44 T HN 0.740 nan 8.240 nan 0.000 0.944 45 Q N -2.380 117.435 119.800 0.025 0.000 2.306 45 Q HA -0.193 4.147 4.340 -0.000 0.000 0.149 45 Q C 0.202 176.214 176.000 0.020 0.000 0.719 45 Q CA 1.915 57.731 55.803 0.022 0.000 1.328 45 Q CB -1.880 26.869 28.738 0.018 0.000 1.281 45 Q HN 0.753 nan 8.270 nan 0.000 0.978 46 T N 2.821 117.386 114.554 0.018 0.000 2.736 46 T HA 0.096 4.446 4.350 -0.000 0.000 0.275 46 T C 0.209 174.918 174.700 0.015 0.000 0.962 46 T CA 0.195 62.304 62.100 0.015 0.000 1.214 46 T CB 0.034 68.910 68.868 0.012 0.000 0.904 46 T HN 0.113 nan 8.240 nan 0.000 0.529 47 R N 2.581 123.090 120.500 0.015 0.000 2.488 47 R HA 0.354 4.694 4.340 -0.000 0.000 0.317 47 R C 0.645 176.950 176.300 0.009 0.000 0.941 47 R CA 0.121 56.230 56.100 0.015 0.000 1.076 47 R CB -0.000 30.310 30.300 0.017 0.000 0.917 47 R HN 0.830 nan 8.270 nan 0.000 0.407 48 A N 3.128 125.952 122.820 0.007 0.000 5.327 48 A HA 0.375 4.695 4.320 -0.000 0.000 0.105 48 A C -1.404 176.178 177.584 -0.004 0.000 1.178 48 A CA -0.746 51.290 52.037 -0.001 0.000 1.782 48 A CB 0.845 19.843 19.000 -0.004 0.000 2.452 48 A HN 0.491 nan 8.150 nan 0.000 1.125 49 K N -0.015 120.377 120.400 -0.013 0.000 2.525 49 K HA 0.657 4.977 4.320 -0.000 0.000 0.254 49 K C -1.562 175.013 176.600 -0.043 0.000 0.934 49 K CA -0.323 55.951 56.287 -0.022 0.000 0.802 49 K CB 2.424 34.907 32.500 -0.028 0.000 1.295 49 K HN 0.521 nan 8.250 nan 0.000 0.433 50 I N 1.095 121.633 120.570 -0.053 0.000 2.499 50 I HA 0.115 4.285 4.170 -0.000 0.000 0.296 50 I C 1.495 177.479 176.117 -0.221 0.000 0.992 50 I CA -0.046 61.184 61.300 -0.117 0.000 1.297 50 I CB 1.501 39.459 38.000 -0.070 0.000 1.410 50 I HN 0.949 nan 8.210 nan 0.000 0.507 51 G N 4.018 112.629 108.800 -0.315 0.000 2.894 51 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.203 51 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.203 51 G C 1.039 175.653 174.900 -0.477 0.000 1.173 51 G CA 0.658 45.557 45.100 -0.336 0.000 0.854 51 G HN 0.918 nan 8.290 nan 0.000 0.510 52 G N -0.276 108.217 108.800 -0.511 0.000 2.670 52 G HA2 0.338 4.298 3.960 -0.000 0.000 0.219 52 G HA3 0.338 4.298 3.960 -0.000 0.000 0.219 52 G C 0.497 175.356 174.900 -0.069 0.000 1.342 52 G CA 0.005 44.904 45.100 -0.334 0.000 0.902 52 G HN 0.394 nan 8.290 nan 0.000 0.553 53 L N -0.847 120.367 121.223 -0.015 0.000 2.271 53 L HA 0.424 4.764 4.340 -0.000 0.000 0.265 53 L C -0.628 176.231 176.870 -0.019 0.000 1.013 53 L CA -0.891 53.949 54.840 -0.000 0.000 0.820 53 L CB 1.426 43.502 42.059 0.028 0.000 1.352 53 L HN 0.504 nan 8.230 nan 0.000 0.443 54 N N 2.425 121.114 118.700 -0.019 0.000 2.570 54 N HA -0.248 4.492 4.740 -0.000 0.000 0.293 54 N C -0.614 174.876 175.510 -0.033 0.000 1.522 54 N CA 1.144 54.180 53.050 -0.023 0.000 0.908 54 N CB -0.464 38.017 38.487 -0.011 0.000 1.002 54 N HN 0.815 nan 8.380 nan 0.000 0.474 55 D N 0.720 121.101 120.400 -0.031 0.000 2.692 55 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 55 D C -2.032 174.237 176.300 -0.051 0.000 1.172 55 D CA 0.499 54.480 54.000 -0.033 0.000 0.636 55 D CB -0.030 40.753 40.800 -0.029 0.000 1.028 55 D HN 0.401 nan 8.370 nan 0.000 0.419 56 P HA 0.136 nan 4.420 nan 0.000 0.253 56 P C 0.347 177.608 177.300 -0.065 0.000 1.281 56 P CA 0.485 63.535 63.100 -0.085 0.000 0.792 56 P CB 0.380 32.029 31.700 -0.083 0.000 1.193 57 R N -4.685 115.784 120.500 -0.052 0.000 1.847 57 R HA 0.018 4.358 4.340 -0.000 0.000 0.061 57 R C 0.433 176.706 176.300 -0.045 0.000 0.719 57 R CA -0.081 55.985 56.100 -0.057 0.000 2.775 57 R CB -1.222 29.042 30.300 -0.060 0.000 0.810 57 R HN 0.044 nan 8.270 nan 0.000 0.564 58 L N 0.904 122.121 121.223 -0.010 0.000 2.356 58 L HA 0.161 4.501 4.340 -0.000 0.000 0.241 58 L C 1.669 178.577 176.870 0.063 0.000 1.242 58 L CA 0.690 55.556 54.840 0.045 0.000 0.820 58 L CB -0.253 41.808 42.059 0.003 0.000 1.124 58 L HN 0.211 nan 8.230 nan 0.000 0.584 59 G N -0.421 108.452 108.800 0.121 0.000 2.846 59 G HA2 0.261 4.221 3.960 -0.000 0.000 0.257 59 G HA3 0.261 4.221 3.960 -0.000 0.000 0.257 59 G C 0.006 174.927 174.900 0.035 0.000 1.253 59 G CA 0.215 45.383 45.100 0.113 0.000 0.918 59 G HN 0.820 nan 8.290 nan 0.000 0.597 60 S N -1.438 114.276 115.700 0.022 0.000 2.810 60 S HA 0.771 5.241 4.470 -0.000 0.000 0.315 60 S C 0.204 174.798 174.600 -0.010 0.000 1.138 60 S CA -0.872 57.328 58.200 -0.000 0.000 0.889 60 S CB 1.555 64.753 63.200 -0.004 0.000 1.236 60 S HN 0.492 nan 8.310 nan 0.000 0.548 61 I N -0.726 119.835 120.570 -0.015 0.000 4.802 61 I HA 0.391 4.561 4.170 -0.000 0.000 0.164 61 I C 0.040 176.146 176.117 -0.017 0.000 0.854 61 I CA -0.912 60.376 61.300 -0.020 0.000 1.935 61 I CB -0.094 37.892 38.000 -0.023 0.000 1.220 61 I HN 0.597 nan 8.210 nan 0.000 0.404 62 D N 2.143 122.533 120.400 -0.017 0.000 2.846 62 D HA -0.220 4.420 4.640 -0.000 0.000 0.223 62 D C -0.167 176.126 176.300 -0.012 0.000 1.171 62 D CA 0.939 54.931 54.000 -0.013 0.000 0.627 62 D CB -0.506 40.288 40.800 -0.009 0.000 1.052 62 D HN 0.409 nan 8.370 nan 0.000 0.415 63 R N -0.949 119.542 120.500 -0.014 0.000 3.251 63 R HA -0.200 4.140 4.340 -0.000 0.000 0.249 63 R C -0.640 175.654 176.300 -0.010 0.000 0.949 63 R CA 0.521 56.613 56.100 -0.013 0.000 0.645 63 R CB -1.504 28.789 30.300 -0.012 0.000 1.065 63 R HN 0.230 nan 8.270 nan 0.000 0.452 64 N N 0.860 119.555 118.700 -0.010 0.000 2.461 64 N HA 0.175 4.915 4.740 -0.000 0.000 0.284 64 N C 1.286 176.792 175.510 -0.008 0.000 1.049 64 N CA -0.566 52.478 53.050 -0.009 0.000 0.889 64 N CB 1.400 39.881 38.487 -0.010 0.000 1.365 64 N HN 0.019 nan 8.380 nan 0.000 0.499 65 L N 1.239 122.457 121.223 -0.008 0.000 2.040 65 L HA -0.269 4.071 4.340 -0.000 0.000 0.228 65 L C 0.880 177.745 176.870 -0.007 0.000 1.092 65 L CA 1.682 56.518 54.840 -0.006 0.000 0.805 65 L CB -0.382 41.672 42.059 -0.008 0.000 0.905 65 L HN 0.436 nan 8.230 nan 0.000 0.443 66 K N -0.776 119.616 120.400 -0.013 0.000 2.599 66 K HA -0.199 4.121 4.320 -0.000 0.000 0.275 66 K C -0.061 176.527 176.600 -0.020 0.000 0.983 66 K CA 0.742 57.017 56.287 -0.020 0.000 1.076 66 K CB 0.110 32.597 32.500 -0.022 0.000 0.822 66 K HN 0.394 nan 8.250 nan 0.000 0.485 67 C N 2.469 121.745 119.300 -0.039 0.000 2.308 67 C HA -0.006 4.454 4.460 -0.000 0.000 0.318 67 C C -1.211 173.702 174.990 -0.128 0.000 1.021 67 C CA -0.442 58.541 59.018 -0.059 0.000 0.638 67 C CB -1.125 26.609 27.740 -0.010 0.000 1.623 67 C HN 1.056 nan 8.230 nan 0.000 0.773 68 Q N 0.017 119.755 119.800 -0.102 0.000 2.455 68 Q HA -0.196 4.144 4.340 -0.000 0.000 0.343 68 Q C 0.804 176.747 176.000 -0.094 0.000 1.458 68 Q CA 1.049 56.788 55.803 -0.107 0.000 0.923 68 Q CB -2.243 26.405 28.738 -0.151 0.000 1.149 68 Q HN 0.779 nan 8.270 nan 0.000 0.357 69 T N -2.821 111.695 114.554 -0.063 0.000 10.479 69 T HA -0.452 3.898 4.350 -0.000 0.000 0.411 69 T C 1.520 176.195 174.700 -0.042 0.000 1.504 69 T CA 1.928 64.000 62.100 -0.046 0.000 2.475 69 T CB -1.786 67.058 68.868 -0.041 0.000 2.895 69 T HN 1.115 nan 8.240 nan 0.000 1.096 70 C N 3.132 122.395 119.300 -0.061 0.000 2.380 70 C HA -0.163 4.297 4.460 -0.000 0.000 0.302 70 C C 2.038 177.025 174.990 -0.005 0.000 1.361 70 C CA 1.954 60.949 59.018 -0.037 0.000 1.819 70 C CB -2.155 25.542 27.740 -0.072 0.000 1.868 70 C HN 0.941 nan 8.230 nan 0.000 0.547 71 Q N -0.592 119.200 119.800 -0.013 0.000 1.890 71 Q HA -0.418 3.922 4.340 -0.000 0.000 0.435 71 Q C 0.786 176.792 176.000 0.010 0.000 0.839 71 Q CA 2.173 57.973 55.803 -0.005 0.000 0.778 71 Q CB -1.259 27.474 28.738 -0.009 0.000 3.954 71 Q HN 0.503 nan 8.270 nan 0.000 0.790 72 E N -1.854 118.349 120.200 0.005 0.000 5.052 72 E HA -0.256 4.094 4.350 -0.000 0.000 0.167 72 E C 0.796 177.399 176.600 0.005 0.000 1.146 72 E CA 2.652 59.056 56.400 0.007 0.000 2.262 72 E CB -2.139 27.572 29.700 0.018 0.000 1.785 72 E HN 1.833 nan 8.360 nan 0.000 0.455 73 G N 2.084 110.890 108.800 0.010 0.000 3.350 73 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.646 73 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.646 73 G C 0.791 175.692 174.900 0.001 0.000 0.929 73 G CA 1.603 46.706 45.100 0.005 0.000 1.073 73 G HN 0.368 nan 8.290 nan 0.000 0.543 74 M N 0.151 119.752 119.600 0.000 0.000 7.319 74 M HA -0.355 4.125 4.480 -0.000 0.000 0.310 74 M C 1.295 177.590 176.300 -0.010 0.000 0.480 74 M CA 2.211 57.506 55.300 -0.008 0.000 1.311 74 M CB -1.170 31.422 32.600 -0.014 0.000 0.421 74 M HN 0.924 nan 8.290 nan 0.000 0.722 75 N N 1.907 120.599 118.700 -0.014 0.000 2.418 75 N HA 0.010 4.750 4.740 -0.000 0.000 0.277 75 N C 0.267 175.770 175.510 -0.011 0.000 1.317 75 N CA 1.562 54.603 53.050 -0.015 0.000 0.922 75 N CB 0.804 39.281 38.487 -0.018 0.000 1.194 75 N HN 0.577 nan 8.380 nan 0.000 0.485 76 E N 1.827 122.021 120.200 -0.011 0.000 3.414 76 E HA -0.162 4.188 4.350 -0.000 0.000 0.224 76 E C -0.926 175.672 176.600 -0.002 0.000 0.543 76 E CA 0.165 56.561 56.400 -0.007 0.000 2.566 76 E CB -1.529 28.170 29.700 -0.002 0.000 1.716 76 E HN 0.468 nan 8.360 nan 0.000 0.715 77 C N 5.288 124.591 119.300 0.006 0.000 2.192 77 C HA 0.642 5.102 4.460 -0.000 0.000 0.337 77 C C -1.441 173.519 174.990 -0.050 0.000 1.103 77 C CA -1.414 57.615 59.018 0.019 0.000 1.581 77 C CB -0.655 27.134 27.740 0.083 0.000 2.070 77 C HN 0.358 nan 8.230 nan 0.000 0.485 78 P HA 0.206 nan 4.420 nan 0.000 0.281 78 P C 0.448 177.605 177.300 -0.238 0.000 1.274 78 P CA 0.260 63.282 63.100 -0.130 0.000 0.794 78 P CB 0.396 32.026 31.700 -0.117 0.000 1.201 79 G N -1.212 107.476 108.800 -0.187 0.000 2.569 79 G HA2 0.203 4.163 3.960 -0.000 0.000 0.249 79 G HA3 0.203 4.163 3.960 -0.000 0.000 0.249 79 G C -0.519 174.168 174.900 -0.355 0.000 1.216 79 G CA -0.191 44.791 45.100 -0.197 0.000 0.845 79 G HN 0.554 nan 8.290 nan 0.000 0.568 80 H N 0.844 119.927 119.070 0.022 0.000 2.887 80 H HA 0.226 4.782 4.556 -0.000 0.000 0.300 80 H C -0.482 174.877 175.328 0.052 0.000 1.038 80 H CA -0.698 55.388 56.048 0.063 0.000 1.352 80 H CB 0.734 30.509 29.762 0.022 0.000 1.473 80 H HN 0.271 nan 8.280 nan 0.000 0.503 81 F N 1.291 121.280 119.950 0.067 0.000 2.595 81 F HA 0.241 4.768 4.527 -0.000 0.000 0.359 81 F C 1.487 177.304 175.800 0.028 0.000 1.147 81 F CA 1.227 59.247 58.000 0.033 0.000 1.341 81 F CB 0.796 39.800 39.000 0.006 0.000 1.104 81 F HN 0.529 nan 8.300 nan 0.000 0.603 82 G N 0.985 109.859 108.800 0.124 0.000 3.140 82 G HA2 0.672 4.632 3.960 -0.000 0.000 0.271 82 G HA3 0.672 4.632 3.960 -0.000 0.000 0.271 82 G C -1.454 173.585 174.900 0.232 0.000 1.370 82 G CA -0.527 44.642 45.100 0.114 0.000 1.014 82 G HN 0.855 nan 8.290 nan 0.000 0.541 83 H N -2.859 116.249 119.070 0.064 0.000 3.054 83 H HA 0.791 5.347 4.556 -0.000 0.000 0.271 83 H C -1.708 173.636 175.328 0.027 0.000 1.551 83 H CA -1.094 54.988 56.048 0.057 0.000 1.196 83 H CB 1.940 31.746 29.762 0.074 0.000 1.867 83 H HN 0.632 nan 8.280 nan 0.000 0.637 84 I N 1.167 121.607 120.570 -0.217 0.000 2.744 84 I HA 0.058 4.228 4.170 -0.000 0.000 0.285 84 I C -1.684 174.284 176.117 -0.248 0.000 1.530 84 I CA -0.558 60.578 61.300 -0.273 0.000 1.064 84 I CB 2.080 40.017 38.000 -0.105 0.000 1.429 84 I HN 0.661 nan 8.210 nan 0.000 0.425 85 D N 8.632 128.877 120.400 -0.259 0.000 2.336 85 D HA 0.331 4.971 4.640 -0.000 0.000 0.249 85 D C 0.022 176.282 176.300 -0.066 0.000 1.213 85 D CA -0.010 53.908 54.000 -0.137 0.000 0.870 85 D CB 1.068 41.801 40.800 -0.110 0.000 1.076 85 D HN 0.330 nan 8.370 nan 0.000 0.483 86 L N 1.046 122.245 121.223 -0.041 0.000 2.472 86 L HA 0.213 4.553 4.340 -0.000 0.000 0.260 86 L C 1.738 178.599 176.870 -0.014 0.000 1.209 86 L CA -0.657 54.168 54.840 -0.024 0.000 0.817 86 L CB 0.305 42.354 42.059 -0.016 0.000 1.106 86 L HN 0.311 nan 8.230 nan 0.000 0.479 87 A N 1.335 124.147 122.820 -0.012 0.000 1.855 87 A HA 0.081 4.401 4.320 -0.000 0.000 0.213 87 A C 0.947 178.526 177.584 -0.008 0.000 1.195 87 A CA 0.999 53.032 52.037 -0.006 0.000 0.610 87 A CB 0.063 19.058 19.000 -0.008 0.000 0.837 87 A HN 0.737 nan 8.150 nan 0.000 0.444 88 K N -0.445 119.944 120.400 -0.018 0.000 2.400 88 K HA 0.426 4.746 4.320 -0.000 0.000 0.246 88 K C -2.960 173.615 176.600 -0.041 0.000 0.995 88 K CA -2.355 53.917 56.287 -0.025 0.000 0.840 88 K CB 1.756 34.238 32.500 -0.030 0.000 1.293 88 K HN 0.086 nan 8.250 nan 0.000 0.445 89 P HA 0.076 nan 4.420 nan 0.000 0.268 89 P C -0.722 176.479 177.300 -0.165 0.000 1.205 89 P CA -0.160 62.896 63.100 -0.074 0.000 0.771 89 P CB 0.770 32.435 31.700 -0.059 0.000 0.858 90 V N 3.148 122.970 119.914 -0.154 0.000 2.962 90 V HA 0.348 4.468 4.120 -0.000 0.000 0.313 90 V C 0.584 176.584 176.094 -0.157 0.000 1.099 90 V CA -0.615 61.545 62.300 -0.233 0.000 0.971 90 V CB 1.372 33.142 31.823 -0.087 0.000 1.028 90 V HN 0.342 nan 8.190 nan 0.000 0.430 91 F N 0.648 120.619 119.950 0.035 0.000 2.188 91 F HA 0.317 4.844 4.527 -0.000 0.000 0.279 91 F C 0.974 176.818 175.800 0.074 0.000 1.210 91 F CA -0.261 57.765 58.000 0.043 0.000 1.200 91 F CB 0.050 39.067 39.000 0.029 0.000 1.552 91 F HN 0.509 nan 8.300 nan 0.000 0.507 92 H N 0.447 119.625 119.070 0.180 0.000 2.675 92 H HA 0.306 4.862 4.556 -0.000 0.000 0.258 92 H C 0.666 175.896 175.328 -0.163 0.000 1.271 92 H CA -0.386 55.608 56.048 -0.090 0.000 1.462 92 H CB 0.751 30.348 29.762 -0.275 0.000 1.467 92 H HN 0.420 nan 8.280 nan 0.000 0.501 93 V N 3.018 122.773 119.914 -0.265 0.000 2.370 93 V HA -0.412 3.708 4.120 -0.000 0.000 0.260 93 V C 2.185 178.091 176.094 -0.313 0.000 1.143 93 V CA 2.418 64.564 62.300 -0.256 0.000 1.111 93 V CB -1.280 30.385 31.823 -0.264 0.000 0.839 93 V HN 0.764 nan 8.190 nan 0.000 0.458 94 G N -2.241 106.161 108.800 -0.662 0.000 2.595 94 G HA2 0.081 4.041 3.960 -0.000 0.000 0.213 94 G HA3 0.081 4.041 3.960 -0.000 0.000 0.213 94 G C 1.325 176.165 174.900 -0.101 0.000 1.141 94 G CA 0.377 45.189 45.100 -0.480 0.000 0.806 94 G HN 0.555 nan 8.290 nan 0.000 0.530 95 F N 0.461 120.279 119.950 -0.221 0.000 2.710 95 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 95 F C 2.377 178.115 175.800 -0.105 0.000 1.137 95 F CA -0.412 57.547 58.000 -0.068 0.000 1.444 95 F CB 0.082 39.117 39.000 0.059 0.000 1.111 95 F HN 0.054 nan 8.300 nan 0.000 0.580 96 I N 0.599 121.188 120.570 0.031 0.000 2.185 96 I HA -0.406 3.763 4.170 -0.000 0.000 0.246 96 I C 2.775 178.819 176.117 -0.121 0.000 1.088 96 I CA 1.354 62.559 61.300 -0.159 0.000 1.347 96 I CB -0.593 37.311 38.000 -0.160 0.000 1.041 96 I HN 0.108 nan 8.210 nan 0.000 0.415 97 A N 0.454 123.245 122.820 -0.048 0.000 1.917 97 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 97 A C 2.375 179.930 177.584 -0.048 0.000 1.182 97 A CA 2.391 54.401 52.037 -0.046 0.000 0.633 97 A CB -0.525 18.461 19.000 -0.023 0.000 0.819 97 A HN 0.420 nan 8.150 nan 0.000 0.448 98 K N -0.607 119.783 120.400 -0.017 0.000 2.098 98 K HA 0.126 4.446 4.320 -0.000 0.000 0.203 98 K C 1.774 178.429 176.600 0.090 0.000 1.051 98 K CA 0.842 57.139 56.287 0.017 0.000 0.957 98 K CB -0.241 32.220 32.500 -0.064 0.000 0.738 98 K HN 0.461 nan 8.250 nan 0.000 0.447 99 I N 1.601 122.185 120.570 0.024 0.000 2.315 99 I HA -0.317 3.853 4.170 -0.000 0.000 0.251 99 I C 2.553 178.751 176.117 0.135 0.000 1.125 99 I CA 1.068 62.383 61.300 0.025 0.000 1.392 99 I CB -0.305 37.559 38.000 -0.227 0.000 1.065 99 I HN 0.227 nan 8.210 nan 0.000 0.424 100 K N 1.859 122.271 120.400 0.021 0.000 1.980 100 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 100 K C 1.998 178.682 176.600 0.139 0.000 1.043 100 K CA 1.499 57.815 56.287 0.047 0.000 0.938 100 K CB -0.190 32.300 32.500 -0.017 0.000 0.724 100 K HN 0.188 nan 8.250 nan 0.000 0.438 101 K N 0.619 121.067 120.400 0.079 0.000 2.293 101 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 101 K C 1.986 178.726 176.600 0.233 0.000 1.045 101 K CA 1.180 57.483 56.287 0.026 0.000 0.933 101 K CB -0.028 32.192 32.500 -0.466 0.000 0.736 101 K HN 0.017 nan 8.250 nan 0.000 0.463 102 V N 0.249 120.355 119.914 0.320 0.000 2.346 102 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 102 V C 2.335 178.520 176.094 0.150 0.000 1.037 102 V CA 1.321 63.822 62.300 0.335 0.000 1.029 102 V CB -0.324 31.748 31.823 0.416 0.000 0.663 102 V HN 0.418 nan 8.190 nan 0.000 0.454 103 C N 0.390 119.797 119.300 0.179 0.000 2.403 103 C HA -0.174 4.286 4.460 -0.000 0.000 0.279 103 C C 2.531 177.554 174.990 0.056 0.000 1.269 103 C CA 1.202 60.261 59.018 0.068 0.000 1.774 103 C CB -1.155 26.681 27.740 0.159 0.000 1.993 103 C HN 0.618 nan 8.230 nan 0.000 0.496 104 E N -1.216 119.061 120.200 0.129 0.000 2.478 104 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 104 E C 1.732 178.369 176.600 0.061 0.000 1.046 104 E CA 0.729 57.186 56.400 0.096 0.000 0.870 104 E CB -0.050 29.763 29.700 0.188 0.000 0.818 104 E HN 0.715 nan 8.360 nan 0.000 0.527 105 C N 0.062 119.416 119.300 0.091 0.000 2.700 105 C HA 0.196 4.656 4.460 -0.000 0.000 0.297 105 C C 0.910 175.903 174.990 0.005 0.000 1.293 105 C CA -0.424 58.628 59.018 0.057 0.000 1.756 105 C CB 0.334 28.146 27.740 0.119 0.000 2.210 105 C HN 0.018 nan 8.230 nan 0.000 0.553 106 V N -0.341 119.553 119.914 -0.034 0.000 2.960 106 V HA 0.431 4.551 4.120 -0.000 0.000 0.315 106 V C -0.256 175.804 176.094 -0.057 0.000 1.087 106 V CA -0.798 61.461 62.300 -0.068 0.000 0.982 106 V CB 1.607 33.340 31.823 -0.150 0.000 1.039 106 V HN 0.377 nan 8.190 nan 0.000 0.437 107 C N 5.050 124.330 119.300 -0.033 0.000 2.398 107 C HA 0.656 5.115 4.460 -0.000 0.000 0.364 107 C C 0.393 175.364 174.990 -0.031 0.000 1.219 107 C CA -0.635 58.386 59.018 0.003 0.000 2.312 107 C CB 0.361 28.132 27.740 0.052 0.000 2.428 107 C HN 0.801 nan 8.230 nan 0.000 0.564 108 M N 4.356 123.917 119.600 -0.065 0.000 2.219 108 M HA 0.388 4.868 4.480 -0.000 0.000 0.280 108 M C 1.137 177.278 176.300 -0.264 0.000 1.189 108 M CA 0.133 55.287 55.300 -0.244 0.000 1.010 108 M CB -0.415 31.929 32.600 -0.426 0.000 1.422 108 M HN 0.959 nan 8.290 nan 0.000 0.504 109 H N -1.330 117.786 119.070 0.076 0.000 4.844 109 H HA -0.224 4.332 4.556 -0.000 0.000 0.071 109 H C 1.576 176.902 175.328 -0.003 0.000 0.589 109 H CA 2.262 58.333 56.048 0.037 0.000 1.006 109 H CB -1.644 28.138 29.762 0.033 0.000 0.443 109 H HN 0.880 nan 8.280 nan 0.000 0.779 110 C N -0.162 119.193 119.300 0.092 0.000 2.426 110 C HA 0.704 5.164 4.460 -0.000 0.000 0.318 110 C C 1.993 176.972 174.990 -0.020 0.000 1.451 110 C CA 1.618 60.642 59.018 0.010 0.000 2.090 110 C CB 0.499 28.250 27.740 0.019 0.000 2.151 110 C HN 1.500 nan 8.230 nan 0.000 0.608 111 G N 1.256 110.048 108.800 -0.013 0.000 2.151 111 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.156 111 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.156 111 G C -0.350 174.515 174.900 -0.058 0.000 1.017 111 G CA 0.310 45.389 45.100 -0.036 0.000 0.686 111 G HN 0.918 nan 8.290 nan 0.000 0.503 112 K N -0.039 120.337 120.400 -0.041 0.000 2.340 112 K HA 0.774 5.094 4.320 -0.000 0.000 0.244 112 K C 1.085 177.669 176.600 -0.027 0.000 0.973 112 K CA -1.114 55.149 56.287 -0.040 0.000 0.828 112 K CB 1.174 33.658 32.500 -0.027 0.000 1.226 112 K HN 0.090 nan 8.250 nan 0.000 0.437 113 L N 2.766 123.976 121.223 -0.021 0.000 2.498 113 L HA -0.096 4.244 4.340 -0.000 0.000 0.293 113 L C 0.740 177.611 176.870 0.001 0.000 1.271 113 L CA 0.383 55.219 54.840 -0.007 0.000 0.831 113 L CB 0.126 42.187 42.059 0.003 0.000 1.091 113 L HN 0.609 nan 8.230 nan 0.000 0.535 114 L N 3.158 124.381 121.223 0.000 0.000 2.965 114 L HA 0.378 4.718 4.340 -0.000 0.000 0.254 114 L C -0.459 176.412 176.870 0.002 0.000 1.220 114 L CA 0.071 54.911 54.840 0.001 0.000 1.023 114 L CB -0.097 41.955 42.059 -0.011 0.000 1.355 114 L HN 0.413 nan 8.230 nan 0.000 0.545 115 L N 0.116 121.344 121.223 0.009 0.000 2.752 115 L HA 0.336 4.676 4.340 -0.000 0.000 0.257 115 L C -1.151 175.726 176.870 0.012 0.000 0.968 115 L CA -0.275 54.572 54.840 0.012 0.000 0.953 115 L CB 2.254 44.312 42.059 -0.002 0.000 1.286 115 L HN 0.005 nan 8.230 nan 0.000 0.443 116 D N 1.157 121.574 120.400 0.030 0.000 2.432 116 D HA 0.153 4.793 4.640 -0.000 0.000 0.258 116 D C 0.651 176.901 176.300 -0.083 0.000 1.146 116 D CA -0.360 53.623 54.000 -0.027 0.000 1.015 116 D CB 1.651 42.466 40.800 0.025 0.000 1.107 116 D HN 0.471 nan 8.370 nan 0.000 0.529 117 E N -0.451 119.625 120.200 -0.207 0.000 2.510 117 E HA -0.146 4.203 4.350 -0.000 0.000 0.202 117 E C 1.401 177.908 176.600 -0.154 0.000 1.072 117 E CA 0.767 57.062 56.400 -0.174 0.000 0.883 117 E CB -0.056 29.525 29.700 -0.198 0.000 0.818 117 E HN 0.343 nan 8.360 nan 0.000 0.548 118 H N -0.241 118.828 119.070 -0.001 0.000 2.395 118 H HA 0.019 4.575 4.556 -0.000 0.000 0.299 118 H C 0.950 176.276 175.328 -0.004 0.000 1.070 118 H CA 0.706 56.752 56.048 -0.003 0.000 1.356 118 H CB -0.064 29.695 29.762 -0.005 0.000 1.401 118 H HN 0.088 nan 8.280 nan 0.000 0.524 119 N N 1.416 120.177 118.700 0.101 0.000 2.499 119 N HA -0.063 4.677 4.740 -0.000 0.000 0.281 119 N C 1.097 176.622 175.510 0.025 0.000 1.098 119 N CA 0.162 53.242 53.050 0.051 0.000 0.979 119 N CB 1.941 40.447 38.487 0.033 0.000 1.121 119 N HN 0.303 nan 8.380 nan 0.000 0.466 120 E N 3.275 123.487 120.200 0.020 0.000 2.076 120 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 120 E C 1.572 178.176 176.600 0.005 0.000 0.979 120 E CA 0.661 57.068 56.400 0.011 0.000 0.807 120 E CB 0.080 29.787 29.700 0.012 0.000 0.761 120 E HN 0.651 nan 8.360 nan 0.000 0.454 121 L N 0.418 121.642 121.223 0.002 0.000 2.127 121 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 121 L C 2.580 179.449 176.870 -0.002 0.000 1.089 121 L CA 0.840 55.678 54.840 -0.003 0.000 0.757 121 L CB -0.325 41.728 42.059 -0.011 0.000 0.899 121 L HN 0.350 nan 8.230 nan 0.000 0.434 122 M N -0.039 119.560 119.600 -0.002 0.000 2.156 122 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 122 M C 2.317 178.619 176.300 0.003 0.000 1.067 122 M CA 1.692 56.991 55.300 -0.000 0.000 1.131 122 M CB -0.268 32.331 32.600 -0.001 0.000 1.368 122 M HN -0.023 nan 8.290 nan 0.000 0.416 123 R N -0.266 120.234 120.500 -0.000 0.000 2.097 123 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 123 R C 2.293 178.598 176.300 0.008 0.000 1.135 123 R CA 2.260 58.359 56.100 -0.001 0.000 0.934 123 R CB -0.975 29.323 30.300 -0.003 0.000 0.846 123 R HN 0.567 nan 8.270 nan 0.000 0.431 124 Q N 0.005 119.810 119.800 0.010 0.000 2.197 124 Q HA -0.246 4.094 4.340 -0.000 0.000 0.211 124 Q C 2.216 178.228 176.000 0.021 0.000 0.993 124 Q CA 1.861 57.672 55.803 0.014 0.000 0.883 124 Q CB -0.261 28.484 28.738 0.012 0.000 0.916 124 Q HN 0.455 nan 8.270 nan 0.000 0.418 125 A N 0.741 123.573 122.820 0.021 0.000 1.873 125 A HA -0.111 4.208 4.320 -0.000 0.000 0.215 125 A C 1.906 179.515 177.584 0.041 0.000 1.186 125 A CA 0.934 52.989 52.037 0.031 0.000 0.616 125 A CB -0.552 18.464 19.000 0.026 0.000 0.823 125 A HN 0.317 nan 8.150 nan 0.000 0.442 126 L N -0.725 120.519 121.223 0.035 0.000 2.675 126 L HA -0.031 4.309 4.340 -0.000 0.000 0.238 126 L C 2.324 179.216 176.870 0.037 0.000 1.155 126 L CA 0.420 55.284 54.840 0.040 0.000 0.881 126 L CB -0.270 41.804 42.059 0.025 0.000 1.008 126 L HN 0.488 nan 8.230 nan 0.000 0.443 127 A N -0.434 122.406 122.820 0.033 0.000 2.055 127 A HA 0.242 4.562 4.320 -0.000 0.000 0.205 127 A C 1.169 178.775 177.584 0.037 0.000 1.235 127 A CA -0.252 51.804 52.037 0.031 0.000 0.822 127 A CB 0.115 19.129 19.000 0.023 0.000 0.903 127 A HN 0.221 nan 8.150 nan 0.000 0.473 128 I N 2.621 123.216 120.570 0.041 0.000 2.755 128 I HA -0.062 4.108 4.170 -0.000 0.000 0.303 128 I C -0.290 175.858 176.117 0.052 0.000 1.168 128 I CA 0.311 61.638 61.300 0.045 0.000 1.588 128 I CB -0.212 37.817 38.000 0.048 0.000 1.509 128 I HN 0.189 nan 8.210 nan 0.000 0.734 129 K N 6.272 126.700 120.400 0.047 0.000 2.382 129 K HA 0.095 4.415 4.320 -0.000 0.000 0.286 129 K C -0.209 176.422 176.600 0.051 0.000 1.062 129 K CA 0.281 56.598 56.287 0.050 0.000 1.000 129 K CB 0.283 32.809 32.500 0.043 0.000 0.954 129 K HN 0.473 nan 8.250 nan 0.000 0.470 130 D N 2.146 122.581 120.400 0.059 0.000 2.550 130 D HA -0.050 4.590 4.640 -0.000 0.000 0.135 130 D C 0.129 176.468 176.300 0.066 0.000 1.072 130 D CA -0.124 53.909 54.000 0.056 0.000 1.405 130 D CB 0.263 41.096 40.800 0.055 0.000 1.961 130 D HN 0.303 nan 8.370 nan 0.000 0.712 131 S N 2.275 118.006 115.700 0.052 0.000 2.434 131 S HA -0.246 4.224 4.470 -0.000 0.000 0.243 131 S C 1.600 176.229 174.600 0.048 0.000 1.045 131 S CA 1.503 59.726 58.200 0.039 0.000 1.019 131 S CB 0.245 63.442 63.200 -0.006 0.000 0.811 131 S HN 0.514 nan 8.310 nan 0.000 0.485 132 K N 0.284 120.717 120.400 0.056 0.000 2.214 132 K HA 0.180 4.500 4.320 -0.000 0.000 0.201 132 K C 2.082 178.759 176.600 0.129 0.000 1.049 132 K CA 0.415 56.751 56.287 0.081 0.000 0.978 132 K CB 0.011 32.535 32.500 0.040 0.000 0.842 132 K HN 0.127 nan 8.250 nan 0.000 0.474 133 K N 0.844 121.302 120.400 0.097 0.000 2.217 133 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 133 K C 2.152 178.815 176.600 0.104 0.000 1.051 133 K CA 0.628 56.969 56.287 0.091 0.000 0.952 133 K CB 0.109 32.649 32.500 0.067 0.000 0.736 133 K HN 0.059 nan 8.250 nan 0.000 0.453 134 R N 0.580 121.155 120.500 0.124 0.000 2.061 134 R HA -0.114 4.225 4.340 -0.000 0.000 0.230 134 R C 1.975 178.378 176.300 0.171 0.000 1.140 134 R CA 1.383 57.563 56.100 0.132 0.000 0.940 134 R CB -0.356 30.028 30.300 0.141 0.000 0.839 134 R HN 0.119 nan 8.270 nan 0.000 0.429 135 F N 1.145 121.141 119.950 0.078 0.000 2.664 135 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 135 F C 1.550 177.420 175.800 0.115 0.000 1.164 135 F CA 0.743 58.804 58.000 0.102 0.000 1.472 135 F CB 0.034 39.074 39.000 0.068 0.000 1.108 135 F HN 0.164 nan 8.300 nan 0.000 0.596 136 A N -0.042 122.828 122.820 0.083 0.000 1.871 136 A HA 0.236 4.556 4.320 -0.000 0.000 0.211 136 A C 2.374 180.004 177.584 0.076 0.000 1.207 136 A CA 0.899 52.971 52.037 0.059 0.000 0.620 136 A CB -1.301 17.755 19.000 0.093 0.000 0.860 136 A HN 0.358 nan 8.150 nan 0.000 0.450 137 A N 0.284 123.141 122.820 0.061 0.000 1.854 137 A HA -0.003 4.316 4.320 -0.000 0.000 0.214 137 A C 2.061 179.657 177.584 0.020 0.000 1.192 137 A CA 1.326 53.389 52.037 0.043 0.000 0.611 137 A CB -0.762 18.261 19.000 0.038 0.000 0.832 137 A HN 0.453 nan 8.150 nan 0.000 0.442 138 I N -2.130 118.451 120.570 0.018 0.000 2.094 138 I HA -0.383 3.787 4.170 -0.000 0.000 0.236 138 I C 2.440 178.547 176.117 -0.016 0.000 1.016 138 I CA 2.415 63.717 61.300 0.004 0.000 1.294 138 I CB -0.575 37.440 38.000 0.025 0.000 1.006 138 I HN 0.730 nan 8.210 nan 0.000 0.397 139 W N 1.806 122.930 121.300 -0.295 0.000 2.318 139 W HA -0.278 4.382 4.660 -0.000 0.000 0.313 139 W C 2.699 179.118 176.519 -0.166 0.000 1.221 139 W CA 2.590 59.761 57.345 -0.289 0.000 1.266 139 W CB -0.783 28.402 29.460 -0.458 0.000 1.150 139 W HN 0.052 nan 8.180 nan 0.000 0.496 140 T N 1.415 115.917 114.554 -0.087 0.000 2.778 140 T HA -0.247 4.103 4.350 -0.000 0.000 0.269 140 T C 1.861 176.390 174.700 -0.286 0.000 1.050 140 T CA 1.734 63.672 62.100 -0.271 0.000 1.137 140 T CB -0.461 68.376 68.868 -0.052 0.000 0.860 140 T HN 0.179 nan 8.240 nan 0.000 0.468 141 L N 0.850 121.965 121.223 -0.180 0.000 2.013 141 L HA -0.011 4.329 4.340 -0.000 0.000 0.204 141 L C 2.643 179.411 176.870 -0.169 0.000 1.081 141 L CA 1.154 55.909 54.840 -0.142 0.000 0.751 141 L CB -0.470 41.544 42.059 -0.076 0.000 0.901 141 L HN 0.421 nan 8.230 nan 0.000 0.440 142 C N -0.906 118.304 119.300 -0.150 0.000 2.507 142 C HA 0.078 4.538 4.460 -0.000 0.000 0.301 142 C C 2.036 176.913 174.990 -0.189 0.000 1.351 142 C CA -0.553 58.386 59.018 -0.132 0.000 1.650 142 C CB -2.052 25.647 27.740 -0.068 0.000 1.676 142 C HN 0.493 nan 8.230 nan 0.000 0.594 143 K N 0.377 120.574 120.400 -0.338 0.000 2.361 143 K HA 0.047 4.366 4.320 -0.000 0.000 0.196 143 K C 1.408 177.847 176.600 -0.268 0.000 1.039 143 K CA 1.061 57.107 56.287 -0.401 0.000 1.001 143 K CB -0.406 31.584 32.500 -0.850 0.000 0.795 143 K HN 0.374 nan 8.250 nan 0.000 0.495 144 T N 1.260 115.679 114.554 -0.225 0.000 2.755 144 T HA -0.029 4.321 4.350 -0.000 0.000 0.251 144 T C 0.388 175.025 174.700 -0.106 0.000 1.044 144 T CA 0.571 62.577 62.100 -0.156 0.000 1.154 144 T CB -0.009 68.777 68.868 -0.136 0.000 0.866 144 T HN 0.148 nan 8.240 nan 0.000 0.416 145 K N 1.517 121.864 120.400 -0.088 0.000 2.453 145 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 145 K C -0.014 176.558 176.600 -0.047 0.000 1.045 145 K CA 0.381 56.635 56.287 -0.055 0.000 1.059 145 K CB 0.205 32.681 32.500 -0.041 0.000 0.901 145 K HN 0.266 nan 8.250 nan 0.000 0.475 146 M N 3.457 123.039 119.600 -0.030 0.000 2.785 146 M HA 0.162 4.642 4.480 -0.000 0.000 0.374 146 M C -1.189 175.125 176.300 0.023 0.000 1.221 146 M CA -0.327 54.963 55.300 -0.016 0.000 0.912 146 M CB 1.140 33.720 32.600 -0.034 0.000 1.355 146 M HN 0.065 nan 8.290 nan 0.000 0.513 147 V N 0.200 120.128 119.914 0.022 0.000 2.462 147 V HA 0.132 4.252 4.120 -0.000 0.000 0.288 147 V C -0.266 175.847 176.094 0.032 0.000 1.020 147 V CA -0.982 61.340 62.300 0.037 0.000 0.857 147 V CB 1.818 33.656 31.823 0.024 0.000 1.013 147 V HN 0.471 nan 8.190 nan 0.000 0.431 148 C N 5.850 125.179 119.300 0.049 0.000 3.585 148 C HA 0.194 4.654 4.460 -0.000 0.000 0.575 148 C C 1.230 176.237 174.990 0.029 0.000 1.068 148 C CA -0.489 58.554 59.018 0.042 0.000 1.113 148 C CB -2.216 25.563 27.740 0.064 0.000 1.381 148 C HN 0.918 nan 8.230 nan 0.000 0.635 149 E N 0.874 121.085 120.200 0.018 0.000 2.636 149 E HA -0.118 4.232 4.350 -0.000 0.000 0.278 149 E C 1.052 177.654 176.600 0.003 0.000 1.064 149 E CA 0.778 57.182 56.400 0.008 0.000 1.011 149 E CB 0.385 30.086 29.700 0.002 0.000 1.029 149 E HN 0.560 nan 8.360 nan 0.000 0.463 150 T N 0.128 114.677 114.554 -0.008 0.000 2.975 150 T HA 0.080 4.430 4.350 -0.000 0.000 0.257 150 T C -0.642 174.040 174.700 -0.031 0.000 1.003 150 T CA -0.071 62.020 62.100 -0.014 0.000 0.932 150 T CB 0.375 69.234 68.868 -0.015 0.000 1.087 150 T HN 0.357 nan 8.240 nan 0.000 0.512 151 D N 0.722 121.098 120.400 -0.039 0.000 2.927 151 D HA 0.526 5.166 4.640 -0.000 0.000 0.219 151 D C -1.280 174.980 176.300 -0.066 0.000 1.248 151 D CA -0.225 53.737 54.000 -0.063 0.000 0.861 151 D CB 3.035 43.804 40.800 -0.051 0.000 1.677 151 D HN -0.062 nan 8.370 nan 0.000 0.511 152 V N 1.536 121.387 119.914 -0.105 0.000 2.971 152 V HA 0.410 4.529 4.120 -0.000 0.000 0.309 152 V C -2.464 173.573 176.094 -0.095 0.000 1.130 152 V CA -1.698 60.550 62.300 -0.085 0.000 0.964 152 V CB 2.766 34.546 31.823 -0.071 0.000 1.029 152 V HN 0.374 nan 8.190 nan 0.000 0.427 153 P HA 0.115 nan 4.420 nan 0.000 0.268 153 P C 0.389 177.670 177.300 -0.032 0.000 1.282 153 P CA 0.233 63.308 63.100 -0.041 0.000 0.880 153 P CB 0.480 32.167 31.700 -0.023 0.000 0.971 154 S N 3.362 119.035 115.700 -0.045 0.000 2.906 154 S HA -0.103 4.367 4.470 -0.000 0.000 0.254 154 S C 1.044 175.657 174.600 0.021 0.000 1.432 154 S CA 0.013 58.208 58.200 -0.008 0.000 0.997 154 S CB -0.247 62.945 63.200 -0.013 0.000 0.928 154 S HN 0.441 nan 8.310 nan 0.000 0.553 155 E N 0.847 121.072 120.200 0.040 0.000 2.463 155 E HA 0.067 4.417 4.350 -0.000 0.000 0.191 155 E C 0.154 176.766 176.600 0.019 0.000 1.083 155 E CA 0.205 56.624 56.400 0.033 0.000 0.872 155 E CB -0.119 29.605 29.700 0.040 0.000 0.966 155 E HN 0.457 nan 8.360 nan 0.000 0.491 156 D N 0.290 120.697 120.400 0.012 0.000 2.838 156 D HA 0.096 4.736 4.640 -0.000 0.000 0.245 156 D C 0.179 176.480 176.300 0.002 0.000 1.424 156 D CA 0.046 54.049 54.000 0.006 0.000 1.214 156 D CB 0.217 41.018 40.800 0.003 0.000 0.937 156 D HN -0.085 nan 8.370 nan 0.000 0.232 157 D N 0.132 120.531 120.400 -0.003 0.000 2.342 157 D HA 0.245 4.884 4.640 -0.000 0.000 0.243 157 D C -1.923 174.372 176.300 -0.008 0.000 1.019 157 D CA -1.524 52.473 54.000 -0.005 0.000 0.864 157 D CB 2.911 43.707 40.800 -0.005 0.000 1.315 157 D HN -0.074 nan 8.370 nan 0.000 0.468 158 P HA 0.080 nan 4.420 nan 0.000 0.255 158 P C 0.446 177.739 177.300 -0.012 0.000 1.357 158 P CA 0.219 63.313 63.100 -0.010 0.000 0.839 158 P CB 0.252 31.948 31.700 -0.007 0.000 1.356 159 T N -1.566 112.981 114.554 -0.012 0.000 3.023 159 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 159 T C 0.659 175.350 174.700 -0.015 0.000 1.038 159 T CA 0.243 62.336 62.100 -0.012 0.000 0.962 159 T CB 0.208 69.071 68.868 -0.009 0.000 1.018 159 T HN 0.208 nan 8.240 nan 0.000 0.521 160 Q N 1.744 121.533 119.800 -0.018 0.000 2.674 160 Q HA 0.396 4.736 4.340 -0.000 0.000 0.249 160 Q C -1.055 174.925 176.000 -0.033 0.000 1.011 160 Q CA -0.241 55.548 55.803 -0.022 0.000 0.734 160 Q CB 1.025 29.752 28.738 -0.019 0.000 1.201 160 Q HN 0.377 nan 8.270 nan 0.000 0.498 161 L N 2.502 123.704 121.223 -0.036 0.000 2.623 161 L HA 0.124 4.463 4.340 -0.000 0.000 0.281 161 L C 0.216 177.047 176.870 -0.065 0.000 1.150 161 L CA -0.251 54.559 54.840 -0.050 0.000 0.965 161 L CB -0.431 41.603 42.059 -0.041 0.000 1.303 161 L HN 0.240 nan 8.230 nan 0.000 0.467 162 V N 2.138 121.996 119.914 -0.093 0.000 3.185 162 V HA 0.175 4.295 4.120 -0.000 0.000 0.305 162 V C 0.785 176.797 176.094 -0.138 0.000 1.090 162 V CA -0.373 61.858 62.300 -0.115 0.000 1.107 162 V CB 1.512 33.245 31.823 -0.151 0.000 1.061 162 V HN 0.906 nan 8.190 nan 0.000 0.480 163 S N 2.363 117.994 115.700 -0.115 0.000 2.681 163 S HA 0.909 5.379 4.470 -0.000 0.000 0.299 163 S C -0.411 174.137 174.600 -0.086 0.000 1.113 163 S CA -0.823 57.322 58.200 -0.091 0.000 1.013 163 S CB 2.512 65.682 63.200 -0.050 0.000 1.076 163 S HN 0.923 nan 8.310 nan 0.000 0.534 164 R N 0.409 120.882 120.500 -0.044 0.000 3.768 164 R HA 0.694 5.034 4.340 -0.000 0.000 0.220 164 R C 0.465 176.771 176.300 0.010 0.000 1.021 164 R CA -0.744 55.364 56.100 0.014 0.000 0.793 164 R CB -0.402 29.936 30.300 0.063 0.000 1.507 164 R HN 0.787 nan 8.270 nan 0.000 0.397 165 G N -0.435 108.378 108.800 0.022 0.000 2.594 165 G HA2 0.394 4.354 3.960 -0.000 0.000 0.243 165 G HA3 0.394 4.354 3.960 -0.000 0.000 0.243 165 G C 0.103 175.004 174.900 0.001 0.000 1.229 165 G CA -0.113 44.991 45.100 0.007 0.000 0.843 165 G HN 0.632 nan 8.290 nan 0.000 0.578 166 G N -1.184 107.614 108.800 -0.004 0.000 2.829 166 G HA2 0.439 4.399 3.960 -0.000 0.000 0.173 166 G HA3 0.439 4.399 3.960 -0.000 0.000 0.173 166 G C 0.790 175.691 174.900 0.002 0.000 1.476 166 G CA 0.405 45.501 45.100 -0.006 0.000 1.072 166 G HN 2.142 nan 8.290 nan 0.000 0.577 167 C N -1.584 117.715 119.300 -0.002 0.000 1.983 167 C HA 0.016 4.476 4.460 -0.000 0.000 0.214 167 C C 1.360 176.362 174.990 0.020 0.000 1.024 167 C CA -0.814 58.205 59.018 0.003 0.000 3.052 167 C CB -1.976 25.774 27.740 0.018 0.000 1.773 167 C HN 1.518 nan 8.230 nan 0.000 0.271 168 G N 3.425 112.231 108.800 0.010 0.000 3.233 168 G HA2 0.186 4.146 3.960 -0.000 0.000 0.227 168 G HA3 0.186 4.146 3.960 -0.000 0.000 0.227 168 G C 0.511 175.435 174.900 0.040 0.000 1.175 168 G CA -0.106 45.008 45.100 0.023 0.000 0.781 168 G HN 0.981 nan 8.290 nan 0.000 0.542 169 N N 1.354 120.075 118.700 0.036 0.000 2.167 169 N HA -0.069 4.671 4.740 -0.000 0.000 0.258 169 N C 0.407 176.003 175.510 0.144 0.000 1.241 169 N CA 0.798 53.877 53.050 0.049 0.000 0.829 169 N CB 0.384 38.863 38.487 -0.014 0.000 1.072 169 N HN -0.048 nan 8.380 nan 0.000 0.466 170 T N 2.400 117.059 114.554 0.176 0.000 2.926 170 T HA 0.063 4.413 4.350 -0.000 0.000 0.307 170 T C 0.554 175.479 174.700 0.376 0.000 1.059 170 T CA -0.142 62.100 62.100 0.237 0.000 1.122 170 T CB 0.566 69.585 68.868 0.251 0.000 0.972 170 T HN 0.253 nan 8.240 nan 0.000 0.545 171 Q N 3.269 123.181 119.800 0.187 0.000 2.333 171 Q HA 0.300 4.640 4.340 -0.000 0.000 0.265 171 Q C -2.366 173.486 176.000 -0.246 0.000 0.989 171 Q CA -2.120 53.715 55.803 0.053 0.000 0.842 171 Q CB 1.891 30.644 28.738 0.025 0.000 1.262 171 Q HN 0.430 nan 8.270 nan 0.000 0.451 172 P HA 0.000 nan 4.420 nan 0.000 0.271 172 P C -0.584 176.434 177.300 -0.471 0.000 1.216 172 P CA -0.125 62.407 63.100 -0.947 0.000 0.771 172 P CB 0.732 31.207 31.700 -2.040 0.000 0.864 173 T N 4.832 119.208 114.554 -0.296 0.000 2.834 173 T HA 0.290 4.640 4.350 -0.000 0.000 0.298 173 T C 0.741 175.340 174.700 -0.169 0.000 0.966 173 T CA -0.067 61.928 62.100 -0.174 0.000 1.141 173 T CB -0.238 68.563 68.868 -0.112 0.000 0.905 173 T HN 0.229 nan 8.240 nan 0.000 0.535 174 I N 3.563 124.066 120.570 -0.112 0.000 2.428 174 I HA 0.605 4.775 4.170 -0.000 0.000 0.296 174 I C 0.530 176.635 176.117 -0.020 0.000 0.985 174 I CA -1.103 60.152 61.300 -0.075 0.000 1.260 174 I CB 0.842 38.818 38.000 -0.040 0.000 1.389 174 I HN 0.579 nan 8.210 nan 0.000 0.484 175 R N 3.450 123.942 120.500 -0.013 0.000 2.795 175 R HA 0.592 4.932 4.340 -0.000 0.000 0.275 175 R C -1.203 175.106 176.300 0.015 0.000 0.981 175 R CA -1.144 54.961 56.100 0.008 0.000 0.917 175 R CB 2.040 32.344 30.300 0.006 0.000 1.202 175 R HN 0.553 nan 8.270 nan 0.000 0.469 176 K N 1.189 121.600 120.400 0.018 0.000 2.143 176 K HA 0.136 4.456 4.320 -0.000 0.000 0.272 176 K C -1.201 175.418 176.600 0.032 0.000 1.001 176 K CA -0.442 55.855 56.287 0.017 0.000 0.915 176 K CB 1.104 33.607 32.500 0.006 0.000 1.047 176 K HN 0.706 nan 8.250 nan 0.000 0.458 177 D N 2.974 123.402 120.400 0.046 0.000 2.616 177 D HA 0.235 4.875 4.640 -0.000 0.000 0.238 177 D C 0.574 176.918 176.300 0.074 0.000 1.354 177 D CA 0.592 54.625 54.000 0.056 0.000 0.970 177 D CB 1.291 42.126 40.800 0.059 0.000 1.369 177 D HN 0.809 nan 8.370 nan 0.000 0.585 178 G N 3.820 112.662 108.800 0.070 0.000 2.752 178 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.349 178 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.349 178 G C 0.742 175.704 174.900 0.104 0.000 1.181 178 G CA 1.000 46.154 45.100 0.090 0.000 0.949 178 G HN 0.582 nan 8.290 nan 0.000 0.562 179 L N 0.524 121.834 121.223 0.144 0.000 3.202 179 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 179 L C 0.362 177.422 176.870 0.317 0.000 1.268 179 L CA -0.086 54.876 54.840 0.203 0.000 1.034 179 L CB 0.373 42.554 42.059 0.205 0.000 1.407 179 L HN 0.242 nan 8.230 nan 0.000 0.581 180 K N 0.955 121.498 120.400 0.238 0.000 2.508 180 K HA 0.670 4.990 4.320 -0.000 0.000 0.260 180 K C -1.209 175.494 176.600 0.172 0.000 0.949 180 K CA -0.704 55.763 56.287 0.302 0.000 0.834 180 K CB 3.217 35.848 32.500 0.218 0.000 1.365 180 K HN -0.047 nan 8.250 nan 0.000 0.437 181 L N 2.070 123.402 121.223 0.182 0.000 2.296 181 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 181 L C -0.770 176.156 176.870 0.094 0.000 1.023 181 L CA -1.063 53.831 54.840 0.090 0.000 0.812 181 L CB 1.621 43.711 42.059 0.050 0.000 1.223 181 L HN 0.259 nan 8.230 nan 0.000 0.421 182 V N 1.643 121.588 119.914 0.052 0.000 2.823 182 V HA 0.880 5.000 4.120 -0.000 0.000 0.312 182 V C 0.032 176.108 176.094 -0.030 0.000 1.072 182 V CA -0.439 61.886 62.300 0.041 0.000 0.937 182 V CB 2.253 34.111 31.823 0.058 0.000 1.013 182 V HN 0.868 nan 8.190 nan 0.000 0.430 183 G N 1.370 110.113 108.800 -0.094 0.000 2.719 183 G HA2 0.603 4.563 3.960 -0.000 0.000 0.298 183 G HA3 0.603 4.563 3.960 -0.000 0.000 0.298 183 G C -0.791 173.949 174.900 -0.266 0.000 1.411 183 G CA -0.281 44.671 45.100 -0.246 0.000 0.991 183 G HN 0.891 nan 8.290 nan 0.000 0.509 184 S N 0.701 116.291 115.700 -0.184 0.000 2.554 184 S HA 0.538 5.008 4.470 -0.000 0.000 0.278 184 S C -0.639 173.908 174.600 -0.088 0.000 1.242 184 S CA -0.731 57.453 58.200 -0.028 0.000 1.051 184 S CB 1.239 64.445 63.200 0.011 0.000 0.986 184 S HN 0.528 nan 8.310 nan 0.000 0.502 185 W N 3.015 124.332 121.300 0.028 0.000 2.298 185 W HA 0.498 5.158 4.660 -0.000 0.000 0.327 185 W C 0.338 176.867 176.519 0.018 0.000 0.988 185 W CA -0.595 56.766 57.345 0.028 0.000 1.448 185 W CB 0.895 30.376 29.460 0.035 0.000 1.243 185 W HN 0.776 nan 8.180 nan 0.000 0.388 196 E N 0.971 121.189 120.200 0.030 0.000 7.572 196 E HA -0.088 4.262 4.350 -0.000 0.000 0.498 196 E C -2.812 173.817 176.600 0.049 0.000 0.825 196 E CA -0.767 55.653 56.400 0.033 0.000 2.050 196 E CB -0.174 29.542 29.700 0.027 0.000 0.931 196 E HN 0.164 nan 8.360 nan 0.000 0.262 197 P HA 0.105 nan 4.420 nan 0.000 0.271 197 P C -0.865 176.492 177.300 0.094 0.000 1.218 197 P CA 0.359 63.505 63.100 0.076 0.000 0.780 197 P CB 0.609 32.345 31.700 0.060 0.000 0.901 198 E N 1.839 122.130 120.200 0.151 0.000 3.374 198 E HA 0.247 4.597 4.350 -0.000 0.000 0.223 198 E C -0.500 176.265 176.600 0.275 0.000 1.210 198 E CA -0.392 56.110 56.400 0.170 0.000 0.987 198 E CB 0.337 30.128 29.700 0.153 0.000 1.322 198 E HN 0.416 nan 8.360 nan 0.000 0.404 199 L N 2.714 124.052 121.223 0.192 0.000 2.380 199 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 199 L C 0.376 177.376 176.870 0.217 0.000 1.138 199 L CA 0.009 54.968 54.840 0.199 0.000 0.832 199 L CB 0.277 42.402 42.059 0.109 0.000 1.124 199 L HN 0.314 nan 8.230 nan 0.000 0.454 200 R N 1.560 122.240 120.500 0.300 0.000 2.707 200 R HA 0.637 4.977 4.340 -0.000 0.000 0.272 200 R C -1.776 174.661 176.300 0.228 0.000 1.011 200 R CA -0.880 55.373 56.100 0.254 0.000 0.893 200 R CB 1.542 32.011 30.300 0.281 0.000 1.233 200 R HN 0.245 nan 8.270 nan 0.000 0.464 201 V N 3.734 123.741 119.914 0.154 0.000 2.508 201 V HA 0.206 4.326 4.120 -0.000 0.000 0.281 201 V C 0.379 176.576 176.094 0.171 0.000 1.041 201 V CA -0.483 61.899 62.300 0.138 0.000 1.016 201 V CB 0.887 32.767 31.823 0.094 0.000 0.984 201 V HN 0.557 nan 8.190 nan 0.000 0.478 202 L N 5.479 126.814 121.223 0.187 0.000 2.342 202 L HA 0.247 4.587 4.340 -0.000 0.000 0.285 202 L C 0.949 177.938 176.870 0.197 0.000 1.095 202 L CA 0.041 55.008 54.840 0.212 0.000 0.843 202 L CB 0.709 42.895 42.059 0.211 0.000 1.201 202 L HN 0.868 nan 8.230 nan 0.000 0.445 203 S N 1.048 116.839 115.700 0.152 0.000 2.549 203 S HA 0.048 4.518 4.470 -0.000 0.000 0.283 203 S C 1.245 175.900 174.600 0.092 0.000 1.320 203 S CA -0.446 57.814 58.200 0.100 0.000 1.058 203 S CB 1.217 64.464 63.200 0.078 0.000 0.882 203 S HN 0.641 nan 8.310 nan 0.000 0.498 204 T N 3.432 117.975 114.554 -0.018 0.000 2.665 204 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 204 T C 1.477 176.178 174.700 0.001 0.000 1.035 204 T CA 2.172 64.213 62.100 -0.099 0.000 1.151 204 T CB -0.682 67.958 68.868 -0.380 0.000 0.862 204 T HN 0.847 nan 8.240 nan 0.000 0.438 205 E N 0.966 121.166 120.200 -0.001 0.000 2.171 205 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 205 E C 2.132 178.772 176.600 0.066 0.000 0.997 205 E CA 1.271 57.688 56.400 0.028 0.000 0.810 205 E CB -0.180 29.537 29.700 0.028 0.000 0.738 205 E HN 0.663 nan 8.360 nan 0.000 0.467 206 E N 0.302 120.557 120.200 0.091 0.000 2.028 206 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 206 E C 1.917 178.614 176.600 0.163 0.000 0.984 206 E CA 0.833 57.305 56.400 0.119 0.000 0.800 206 E CB 0.077 29.855 29.700 0.129 0.000 0.758 206 E HN 0.113 nan 8.360 nan 0.000 0.448 207 I N 1.969 122.662 120.570 0.205 0.000 2.163 207 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 207 I C 2.769 179.078 176.117 0.322 0.000 1.085 207 I CA 1.021 62.509 61.300 0.313 0.000 1.347 207 I CB -1.383 36.808 38.000 0.317 0.000 1.044 207 I HN 0.366 nan 8.210 nan 0.000 0.408 208 L N 0.921 122.233 121.223 0.149 0.000 2.021 208 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 208 L C 2.513 179.468 176.870 0.141 0.000 1.074 208 L CA 2.096 56.988 54.840 0.087 0.000 0.760 208 L CB -0.499 41.584 42.059 0.040 0.000 0.889 208 L HN 0.331 nan 8.230 nan 0.000 0.433 209 N N 0.521 119.292 118.700 0.119 0.000 2.039 209 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 209 N C 1.942 177.523 175.510 0.119 0.000 1.044 209 N CA 2.284 55.376 53.050 0.070 0.000 0.847 209 N CB -0.261 38.275 38.487 0.081 0.000 1.030 209 N HN 0.499 nan 8.380 nan 0.000 0.422 210 I N 0.353 121.034 120.570 0.186 0.000 2.185 210 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 210 I C 1.968 178.144 176.117 0.098 0.000 1.088 210 I CA 1.278 62.664 61.300 0.143 0.000 1.347 210 I CB -0.506 37.556 38.000 0.104 0.000 1.041 210 I HN 0.047 nan 8.210 nan 0.000 0.415 211 F N 1.154 121.118 119.950 0.023 0.000 2.084 211 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 211 F C 2.548 178.346 175.800 -0.003 0.000 1.111 211 F CA 1.500 59.504 58.000 0.007 0.000 1.224 211 F CB -0.631 38.363 39.000 -0.010 0.000 0.991 211 F HN -0.131 nan 8.300 nan 0.000 0.471 212 K N -0.740 119.734 120.400 0.123 0.000 2.089 212 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 212 K C 1.568 178.113 176.600 -0.092 0.000 1.048 212 K CA 1.614 57.877 56.287 -0.041 0.000 0.926 212 K CB -0.410 31.979 32.500 -0.186 0.000 0.714 212 K HN 0.295 nan 8.250 nan 0.000 0.448 213 H N 0.097 119.166 119.070 -0.002 0.000 2.556 213 H HA 0.118 4.674 4.556 -0.000 0.000 0.273 213 H C 0.323 175.583 175.328 -0.113 0.000 1.030 213 H CA 0.326 56.342 56.048 -0.054 0.000 1.156 213 H CB -0.451 29.293 29.762 -0.030 0.000 1.326 213 H HN 0.126 nan 8.280 nan 0.000 0.609 214 I N 0.964 121.509 120.570 -0.042 0.000 2.529 214 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 214 I C 1.112 177.024 176.117 -0.341 0.000 1.082 214 I CA -0.167 61.043 61.300 -0.149 0.000 1.406 214 I CB 0.843 38.768 38.000 -0.124 0.000 1.405 214 I HN 0.041 nan 8.210 nan 0.000 0.548 215 S N 3.950 119.479 115.700 -0.286 0.000 2.558 215 S HA 0.010 4.480 4.470 -0.000 0.000 0.287 215 S C 1.215 175.431 174.600 -0.640 0.000 1.321 215 S CA -0.616 57.380 58.200 -0.341 0.000 1.048 215 S CB 0.847 63.934 63.200 -0.188 0.000 0.844 215 S HN 0.391 nan 8.310 nan 0.000 0.512 216 V N 5.332 124.909 119.914 -0.561 0.000 2.427 216 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 216 V C 2.239 178.188 176.094 -0.243 0.000 1.051 216 V CA 1.653 63.596 62.300 -0.594 0.000 1.048 216 V CB -0.614 31.044 31.823 -0.275 0.000 0.666 216 V HN 0.817 nan 8.190 nan 0.000 0.456 217 K N -0.418 119.894 120.400 -0.147 0.000 2.426 217 K HA -0.011 4.309 4.320 -0.000 0.000 0.193 217 K C 1.398 177.997 176.600 -0.002 0.000 1.028 217 K CA 0.460 56.727 56.287 -0.034 0.000 1.047 217 K CB 0.017 32.498 32.500 -0.032 0.000 0.821 217 K HN 0.420 nan 8.250 nan 0.000 0.513 218 D N 0.513 120.877 120.400 -0.060 0.000 2.216 218 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 218 D C 1.583 177.961 176.300 0.130 0.000 0.960 218 D CA 0.549 54.550 54.000 0.001 0.000 0.861 218 D CB 0.025 40.785 40.800 -0.066 0.000 0.985 218 D HN 0.082 nan 8.370 nan 0.000 0.493 219 F N 1.501 121.438 119.950 -0.023 0.000 2.005 219 F HA -0.325 4.202 4.527 -0.000 0.000 0.297 219 F C 2.633 178.504 175.800 0.118 0.000 1.175 219 F CA 1.205 59.194 58.000 -0.018 0.000 1.192 219 F CB -0.724 38.274 39.000 -0.004 0.000 0.953 219 F HN -0.052 nan 8.300 nan 0.000 0.504 220 T N 0.426 115.205 114.554 0.376 0.000 2.464 220 T HA -0.370 3.980 4.350 -0.000 0.000 0.245 220 T C 1.851 176.682 174.700 0.218 0.000 1.298 220 T CA 2.676 64.923 62.100 0.246 0.000 1.152 220 T CB -1.005 67.963 68.868 0.166 0.000 0.854 220 T HN 0.388 nan 8.240 nan 0.000 0.428 221 S N 1.533 117.339 115.700 0.178 0.000 2.389 221 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 221 S C 0.956 175.705 174.600 0.247 0.000 1.052 221 S CA 0.991 59.291 58.200 0.167 0.000 1.053 221 S CB -0.706 62.568 63.200 0.124 0.000 0.886 221 S HN 0.458 nan 8.310 nan 0.000 0.456 222 L N 2.352 123.779 121.223 0.339 0.000 2.259 222 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 222 L C 1.143 178.290 176.870 0.460 0.000 1.051 222 L CA -0.592 54.577 54.840 0.550 0.000 0.824 222 L CB 0.447 42.889 42.059 0.638 0.000 1.206 222 L HN 0.331 nan 8.230 nan 0.000 0.429 223 G N 3.582 112.510 108.800 0.214 0.000 1.912 223 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.243 223 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.243 223 G C -0.254 174.436 174.900 -0.351 0.000 0.677 223 G CA 0.590 45.632 45.100 -0.095 0.000 0.900 223 G HN 0.336 nan 8.290 nan 0.000 0.397 224 F N -1.213 118.702 119.950 -0.059 0.000 2.664 224 F HA 0.561 5.088 4.527 -0.000 0.000 0.329 224 F C 0.127 175.920 175.800 -0.012 0.000 1.090 224 F CA -1.487 56.460 58.000 -0.087 0.000 0.978 224 F CB 2.080 40.973 39.000 -0.177 0.000 1.378 224 F HN 0.056 nan 8.300 nan 0.000 0.495 225 N N 0.021 118.833 118.700 0.187 0.000 2.296 225 N HA 0.182 4.922 4.740 -0.000 0.000 0.294 225 N C 0.260 175.831 175.510 0.102 0.000 1.033 225 N CA -0.340 52.804 53.050 0.157 0.000 0.839 225 N CB 1.747 40.358 38.487 0.206 0.000 1.395 225 N HN 0.717 nan 8.380 nan 0.000 0.479 226 E N 1.847 122.125 120.200 0.130 0.000 2.204 226 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 226 E C 0.505 177.144 176.600 0.066 0.000 0.990 226 E CA 1.246 57.738 56.400 0.153 0.000 0.821 226 E CB 0.299 30.092 29.700 0.156 0.000 0.750 226 E HN 0.509 nan 8.360 nan 0.000 0.477 227 V N -0.939 118.942 119.914 -0.056 0.000 3.379 227 V HA 0.055 4.175 4.120 -0.000 0.000 0.249 227 V C 1.332 177.304 176.094 -0.203 0.000 1.184 227 V CA 0.521 62.685 62.300 -0.227 0.000 1.106 227 V CB -0.103 31.325 31.823 -0.658 0.000 0.826 227 V HN 0.209 nan 8.190 nan 0.000 0.465 228 F N 0.898 120.968 119.950 0.200 0.000 2.592 228 F HA 0.218 4.745 4.527 -0.000 0.000 0.280 228 F C 1.220 177.114 175.800 0.156 0.000 1.083 228 F CA 0.550 58.606 58.000 0.093 0.000 1.365 228 F CB 0.533 39.552 39.000 0.033 0.000 1.100 228 F HN 0.159 nan 8.300 nan 0.000 0.633 229 S N 0.732 116.716 115.700 0.473 0.000 2.279 229 S HA 0.417 4.887 4.470 -0.000 0.000 0.176 229 S C -0.686 174.169 174.600 0.425 0.000 1.554 229 S CA -0.782 57.696 58.200 0.463 0.000 1.242 229 S CB 0.344 63.663 63.200 0.197 0.000 1.163 229 S HN 0.072 nan 8.310 nan 0.000 0.449 230 R N 2.575 123.319 120.500 0.408 0.000 2.267 230 R HA 0.265 4.605 4.340 -0.000 0.000 0.319 230 R C -1.885 174.186 176.300 -0.381 0.000 1.067 230 R CA -1.991 53.717 56.100 -0.654 0.000 0.936 230 R CB 0.424 29.869 30.300 -1.425 0.000 1.006 230 R HN 0.317 nan 8.270 nan 0.000 0.452 231 P HA -0.320 nan 4.420 nan 0.000 0.222 231 P C 0.694 177.938 177.300 -0.095 0.000 1.157 231 P CA 1.631 64.438 63.100 -0.487 0.000 0.905 231 P CB 0.072 31.347 31.700 -0.708 0.000 0.792 232 E N -2.119 118.008 120.200 -0.122 0.000 2.501 232 E HA -0.203 4.146 4.350 -0.000 0.000 0.203 232 E C 1.064 177.625 176.600 -0.066 0.000 1.072 232 E CA 0.625 56.972 56.400 -0.088 0.000 0.885 232 E CB -0.832 28.788 29.700 -0.132 0.000 0.813 232 E HN 0.391 nan 8.360 nan 0.000 0.556 233 W N 0.163 121.456 121.300 -0.012 0.000 2.907 233 W HA 0.312 4.972 4.660 -0.000 0.000 0.271 233 W C 1.728 178.291 176.519 0.072 0.000 1.253 233 W CA -0.225 57.141 57.345 0.034 0.000 1.501 233 W CB -0.164 29.327 29.460 0.052 0.000 1.047 233 W HN 0.128 nan 8.180 nan 0.000 0.610 234 M N 0.047 119.824 119.600 0.294 0.000 2.435 234 M HA -0.112 4.367 4.480 -0.000 0.000 0.262 234 M C 0.453 176.925 176.300 0.286 0.000 1.065 234 M CA 1.380 56.913 55.300 0.389 0.000 1.076 234 M CB -0.369 32.349 32.600 0.195 0.000 1.403 234 M HN -0.326 nan 8.290 nan 0.000 0.454 235 I N 1.482 122.152 120.570 0.167 0.000 2.321 235 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 235 I C -0.455 175.740 176.117 0.131 0.000 0.998 235 I CA -0.582 60.808 61.300 0.150 0.000 1.227 235 I CB 1.211 39.253 38.000 0.069 0.000 1.368 235 I HN 0.040 nan 8.210 nan 0.000 0.466 236 L N 6.670 127.957 121.223 0.107 0.000 2.313 236 L HA 0.298 4.638 4.340 -0.000 0.000 0.282 236 L C 0.826 177.735 176.870 0.065 0.000 1.092 236 L CA -0.113 54.779 54.840 0.086 0.000 0.831 236 L CB 0.649 42.753 42.059 0.075 0.000 1.159 236 L HN 0.658 nan 8.230 nan 0.000 0.442 237 T N 0.427 115.033 114.554 0.086 0.000 3.053 237 T HA 0.003 4.353 4.350 -0.000 0.000 0.236 237 T C 0.447 175.180 174.700 0.057 0.000 0.996 237 T CA 0.189 62.331 62.100 0.069 0.000 1.185 237 T CB 0.268 69.195 68.868 0.098 0.000 0.892 237 T HN 0.634 nan 8.240 nan 0.000 0.432 238 C N 2.274 121.624 119.300 0.084 0.000 2.358 238 C HA 0.799 5.259 4.460 -0.000 0.000 0.342 238 C C -0.843 174.186 174.990 0.065 0.000 1.234 238 C CA -1.061 58.001 59.018 0.073 0.000 1.969 238 C CB -0.082 27.743 27.740 0.141 0.000 2.346 238 C HN 0.443 nan 8.230 nan 0.000 0.525 239 L N 8.080 129.326 121.223 0.038 0.000 2.316 239 L HA 0.544 4.883 4.340 -0.000 0.000 0.280 239 L C -2.055 174.863 176.870 0.080 0.000 1.006 239 L CA -2.043 52.820 54.840 0.038 0.000 0.836 239 L CB 1.666 43.719 42.059 -0.011 0.000 1.221 239 L HN 0.553 nan 8.230 nan 0.000 0.418 240 P HA 0.010 nan 4.420 nan 0.000 0.265 240 P C -0.655 176.790 177.300 0.241 0.000 1.222 240 P CA 0.057 63.259 63.100 0.171 0.000 0.767 240 P CB 0.822 32.476 31.700 -0.076 0.000 0.801 241 V N 7.229 127.245 119.914 0.171 0.000 2.270 241 V HA 0.161 4.280 4.120 -0.000 0.000 0.263 241 V C -1.605 174.255 176.094 -0.390 0.000 1.066 241 V CA -1.968 60.309 62.300 -0.038 0.000 0.857 241 V CB 0.560 32.366 31.823 -0.029 0.000 1.099 241 V HN 0.538 nan 8.190 nan 0.000 0.476 242 P HA 0.063 nan 4.420 nan 0.000 0.263 242 P C -2.484 174.484 177.300 -0.554 0.000 1.175 242 P CA -0.570 61.962 63.100 -0.946 0.000 0.761 242 P CB 0.176 31.676 31.700 -0.333 0.000 0.794 243 P HA 0.142 nan 4.420 nan 0.000 0.276 243 P C -1.750 175.451 177.300 -0.165 0.000 1.261 243 P CA -1.675 61.267 63.100 -0.264 0.000 0.800 243 P CB -0.373 31.204 31.700 -0.204 0.000 1.066 244 P HA -0.208 nan 4.420 nan 0.000 0.211 244 P C -1.200 176.055 177.300 -0.075 0.000 1.038 244 P CA 2.837 65.893 63.100 -0.073 0.000 0.988 244 P CB -2.550 29.121 31.700 -0.049 0.000 0.758 245 P HA -0.093 nan 4.420 nan 0.000 0.228 245 P C 1.114 178.376 177.300 -0.063 0.000 1.143 245 P CA 0.978 64.041 63.100 -0.061 0.000 0.771 245 P CB -0.531 31.136 31.700 -0.054 0.000 0.764 246 V N -1.323 118.545 119.914 -0.076 0.000 3.523 246 V HA 0.078 4.198 4.120 -0.000 0.000 0.255 246 V C 1.282 177.337 176.094 -0.065 0.000 1.226 246 V CA 0.579 62.839 62.300 -0.066 0.000 1.092 246 V CB -0.335 31.442 31.823 -0.076 0.000 0.817 246 V HN 0.198 nan 8.190 nan 0.000 0.458 247 R N 1.173 121.631 120.500 -0.069 0.000 2.638 247 R HA 0.342 4.682 4.340 -0.000 0.000 0.269 247 R C -3.078 173.178 176.300 -0.072 0.000 1.393 247 R CA -1.256 54.805 56.100 -0.066 0.000 1.531 247 R CB 0.189 30.461 30.300 -0.046 0.000 1.327 247 R HN 0.215 nan 8.270 nan 0.000 0.709 248 P HA -0.052 nan 4.420 nan 0.000 0.268 248 P C 0.202 177.447 177.300 -0.091 0.000 1.208 248 P CA 0.290 63.344 63.100 -0.076 0.000 0.777 248 P CB 1.326 32.981 31.700 -0.074 0.000 0.875 249 S N 1.817 117.463 115.700 -0.090 0.000 2.546 249 S HA 0.450 4.920 4.470 -0.000 0.000 0.265 249 S C 0.604 175.111 174.600 -0.155 0.000 1.190 249 S CA -0.478 57.657 58.200 -0.109 0.000 1.014 249 S CB 0.121 63.269 63.200 -0.085 0.000 1.087 249 S HN 0.478 nan 8.310 nan 0.000 0.525 250 I N 0.894 121.330 120.570 -0.223 0.000 2.719 250 I HA 0.068 4.238 4.170 -0.000 0.000 0.319 250 I C -0.463 175.306 176.117 -0.580 0.000 1.522 250 I CA -0.302 60.783 61.300 -0.357 0.000 0.785 250 I CB 0.775 38.546 38.000 -0.382 0.000 2.022 250 I HN 0.655 nan 8.210 nan 0.000 0.579 251 S N 0.952 116.449 115.700 -0.339 0.000 2.466 251 S HA 0.282 4.752 4.470 -0.000 0.000 0.286 251 S C -0.122 174.346 174.600 -0.220 0.000 1.221 251 S CA -0.161 57.892 58.200 -0.245 0.000 1.091 251 S CB -0.531 62.619 63.200 -0.082 0.000 0.956 251 S HN 0.267 nan 8.310 nan 0.000 0.501 252 F N 4.229 124.180 119.950 0.002 0.000 2.613 252 F HA 0.278 4.805 4.527 0.000 0.000 0.341 252 F C 1.432 177.234 175.800 0.004 0.000 1.288 252 F CA -0.421 57.580 58.000 0.002 0.000 1.103 252 F CB -1.219 37.783 39.000 0.004 0.000 1.423 252 F HN 0.712 nan 8.300 nan 0.000 0.651 253 N N 1.273 120.047 118.700 0.124 0.000 3.988 253 N HA -0.270 4.470 4.740 -0.000 0.000 0.234 253 N C 0.943 176.488 175.510 0.058 0.000 0.264 253 N CA 1.985 55.084 53.050 0.081 0.000 2.979 253 N CB -0.584 37.956 38.487 0.089 0.000 1.416 253 N HN 0.583 nan 8.380 nan 0.000 0.300 254 E N -0.488 119.753 120.200 0.070 0.000 3.688 254 E HA 0.146 4.496 4.350 -0.000 0.000 0.217 254 E C 0.343 176.979 176.600 0.060 0.000 1.289 254 E CA 0.510 56.941 56.400 0.051 0.000 1.408 254 E CB -0.078 29.645 29.700 0.037 0.000 2.370 254 E HN 0.345 nan 8.360 nan 0.000 0.584 255 S N 1.588 117.323 115.700 0.059 0.000 2.967 255 S HA 0.139 4.609 4.470 -0.000 0.000 0.254 255 S C 0.023 174.672 174.600 0.081 0.000 1.089 255 S CA -0.062 58.173 58.200 0.057 0.000 1.183 255 S CB -0.430 62.794 63.200 0.040 0.000 0.848 255 S HN 0.124 nan 8.310 nan 0.000 0.477 256 Q N 0.451 120.327 119.800 0.128 0.000 2.397 256 Q HA 0.473 4.813 4.340 -0.000 0.000 0.275 256 Q C -0.074 176.066 176.000 0.232 0.000 1.090 256 Q CA -1.087 54.840 55.803 0.207 0.000 0.809 256 Q CB 2.055 30.993 28.738 0.332 0.000 1.362 256 Q HN 0.329 nan 8.270 nan 0.000 0.431 257 R N -0.189 120.463 120.500 0.252 0.000 3.213 257 R HA 0.381 4.721 4.340 -0.000 0.000 0.188 257 R C 0.740 177.117 176.300 0.128 0.000 0.931 257 R CA 0.770 56.986 56.100 0.193 0.000 1.218 257 R CB -0.117 30.307 30.300 0.207 0.000 0.742 257 R HN 0.927 nan 8.270 nan 0.000 0.484 258 G N -0.837 108.007 108.800 0.073 0.000 3.288 258 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 258 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 258 G C -0.630 174.213 174.900 -0.095 0.000 0.944 258 G CA -0.595 44.442 45.100 -0.104 0.000 0.854 258 G HN 0.274 nan 8.290 nan 0.000 0.632 259 E N 1.911 122.096 120.200 -0.025 0.000 2.529 259 E HA 0.078 4.428 4.350 -0.000 0.000 0.259 259 E C 0.325 176.754 176.600 -0.284 0.000 0.966 259 E CA 0.103 56.456 56.400 -0.077 0.000 0.937 259 E CB 0.806 30.579 29.700 0.122 0.000 0.923 259 E HN 0.453 nan 8.360 nan 0.000 0.468 260 D N 2.050 122.309 120.400 -0.234 0.000 2.362 260 D HA -0.080 4.560 4.640 -0.000 0.000 0.238 260 D C 0.643 176.703 176.300 -0.400 0.000 1.212 260 D CA -0.082 53.765 54.000 -0.256 0.000 0.902 260 D CB 0.853 41.564 40.800 -0.149 0.000 1.180 260 D HN 0.294 nan 8.370 nan 0.000 0.445 261 D N 0.722 120.939 120.400 -0.305 0.000 2.087 261 D HA -0.149 4.491 4.640 -0.000 0.000 0.192 261 D C 2.045 178.255 176.300 -0.149 0.000 0.993 261 D CA 1.175 55.008 54.000 -0.279 0.000 0.828 261 D CB 0.026 40.739 40.800 -0.145 0.000 0.968 261 D HN 0.334 nan 8.370 nan 0.000 0.448 262 L N 0.175 121.360 121.223 -0.062 0.000 2.013 262 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 262 L C 2.377 179.300 176.870 0.087 0.000 1.073 262 L CA 1.437 56.312 54.840 0.057 0.000 0.753 262 L CB -0.770 41.331 42.059 0.070 0.000 0.890 262 L HN 0.155 nan 8.230 nan 0.000 0.432 263 T N -0.484 114.085 114.554 0.026 0.000 2.896 263 T HA -0.228 4.122 4.350 -0.000 0.000 0.270 263 T C 1.532 176.389 174.700 0.262 0.000 1.104 263 T CA 1.416 63.569 62.100 0.088 0.000 1.115 263 T CB -0.311 68.588 68.868 0.053 0.000 0.843 263 T HN 0.283 nan 8.240 nan 0.000 0.523 264 F N 0.440 120.385 119.950 -0.009 0.000 2.220 264 F HA 0.095 4.622 4.527 -0.000 0.000 0.290 264 F C 2.515 178.282 175.800 -0.055 0.000 1.080 264 F CA 0.201 58.186 58.000 -0.025 0.000 1.318 264 F CB -0.020 38.969 39.000 -0.018 0.000 1.063 264 F HN -0.030 nan 8.300 nan 0.000 0.498 265 K N 1.429 121.936 120.400 0.178 0.000 2.089 265 K HA -0.195 4.124 4.320 -0.000 0.000 0.210 265 K C 1.790 178.359 176.600 -0.051 0.000 1.048 265 K CA 1.463 57.782 56.287 0.053 0.000 0.926 265 K CB -0.665 31.940 32.500 0.175 0.000 0.714 265 K HN 0.212 nan 8.250 nan 0.000 0.448 266 L N -0.481 120.707 121.223 -0.059 0.000 1.976 266 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 266 L C 2.453 179.278 176.870 -0.076 0.000 1.071 266 L CA 1.347 56.084 54.840 -0.172 0.000 0.746 266 L CB -0.896 41.073 42.059 -0.151 0.000 0.890 266 L HN 0.291 nan 8.230 nan 0.000 0.432 267 A N 0.134 122.948 122.820 -0.010 0.000 1.929 267 A HA -0.334 3.986 4.320 -0.000 0.000 0.221 267 A C 1.979 179.544 177.584 -0.033 0.000 1.211 267 A CA 2.492 54.522 52.037 -0.011 0.000 0.657 267 A CB -0.793 18.201 19.000 -0.011 0.000 0.827 267 A HN 0.444 nan 8.150 nan 0.000 0.462 268 D N -0.292 120.067 120.400 -0.068 0.000 2.077 268 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 268 D C 1.985 178.344 176.300 0.099 0.000 0.989 268 D CA 1.485 55.435 54.000 -0.083 0.000 0.831 268 D CB -0.443 40.050 40.800 -0.512 0.000 0.979 268 D HN 0.509 nan 8.370 nan 0.000 0.449 269 I N 0.767 121.364 120.570 0.046 0.000 2.143 269 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 269 I C 2.426 178.574 176.117 0.053 0.000 1.068 269 I CA 0.668 62.027 61.300 0.099 0.000 1.326 269 I CB -0.263 37.699 38.000 -0.063 0.000 1.028 269 I HN 0.088 nan 8.210 nan 0.000 0.412 270 L N 1.111 122.335 121.223 0.002 0.000 1.943 270 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 270 L C 2.435 179.315 176.870 0.017 0.000 1.074 270 L CA 1.981 56.821 54.840 -0.000 0.000 0.759 270 L CB -1.077 40.980 42.059 -0.003 0.000 0.888 270 L HN 0.112 nan 8.230 nan 0.000 0.433 271 K N -0.681 119.733 120.400 0.023 0.000 2.032 271 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 271 K C 1.969 178.586 176.600 0.028 0.000 1.054 271 K CA 2.073 58.371 56.287 0.019 0.000 0.941 271 K CB -0.592 31.922 32.500 0.023 0.000 0.720 271 K HN 0.554 nan 8.250 nan 0.000 0.449 272 A N 1.228 124.092 122.820 0.072 0.000 2.024 272 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 272 A C 1.851 179.442 177.584 0.012 0.000 1.164 272 A CA 2.100 54.161 52.037 0.041 0.000 0.643 272 A CB -0.640 18.395 19.000 0.059 0.000 0.806 272 A HN 0.387 nan 8.150 nan 0.000 0.451 273 N N -0.038 118.672 118.700 0.017 0.000 2.092 273 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 273 N C 1.537 177.042 175.510 -0.007 0.000 1.040 273 N CA 1.603 54.653 53.050 -0.000 0.000 0.845 273 N CB -0.335 38.149 38.487 -0.005 0.000 1.017 273 N HN 0.435 nan 8.380 nan 0.000 0.426 274 I N 0.584 121.149 120.570 -0.010 0.000 2.185 274 I HA -0.377 3.793 4.170 -0.000 0.000 0.246 274 I C 2.359 178.465 176.117 -0.018 0.000 1.088 274 I CA 1.633 62.922 61.300 -0.018 0.000 1.347 274 I CB -0.655 37.326 38.000 -0.031 0.000 1.041 274 I HN 0.340 nan 8.210 nan 0.000 0.415 275 S N 1.189 116.878 115.700 -0.018 0.000 2.374 275 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 275 S C 2.002 176.589 174.600 -0.020 0.000 1.037 275 S CA 1.311 59.498 58.200 -0.021 0.000 1.024 275 S CB -0.896 62.290 63.200 -0.022 0.000 0.861 275 S HN 0.340 nan 8.310 nan 0.000 0.456 276 L N 2.063 123.275 121.223 -0.018 0.000 1.970 276 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 276 L C 2.921 179.782 176.870 -0.015 0.000 1.071 276 L CA 2.467 57.296 54.840 -0.019 0.000 0.751 276 L CB -0.832 41.216 42.059 -0.018 0.000 0.889 276 L HN 0.521 nan 8.230 nan 0.000 0.432 277 E N -1.211 118.988 120.200 -0.002 0.000 2.097 277 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 277 E C 1.596 178.215 176.600 0.032 0.000 1.000 277 E CA 1.857 58.270 56.400 0.022 0.000 0.804 277 E CB -0.111 29.609 29.700 0.033 0.000 0.740 277 E HN 0.493 nan 8.360 nan 0.000 0.454 278 T N 0.967 115.527 114.554 0.011 0.000 3.155 278 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 278 T C 1.402 176.100 174.700 -0.004 0.000 1.160 278 T CA 0.382 62.487 62.100 0.008 0.000 1.075 278 T CB 0.050 68.910 68.868 -0.012 0.000 0.921 278 T HN 0.187 nan 8.240 nan 0.000 0.533 279 L N -0.461 120.751 121.223 -0.018 0.000 2.672 279 L HA 0.284 4.624 4.340 -0.000 0.000 0.236 279 L C 2.087 178.914 176.870 -0.072 0.000 1.092 279 L CA 0.465 55.279 54.840 -0.043 0.000 0.887 279 L CB 0.204 42.235 42.059 -0.047 0.000 1.168 279 L HN 0.210 nan 8.230 nan 0.000 0.502 280 E N -0.981 119.177 120.200 -0.071 0.000 2.340 280 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 280 E C 0.657 177.114 176.600 -0.238 0.000 0.996 280 E CA 0.373 56.681 56.400 -0.153 0.000 0.869 280 E CB 0.499 30.109 29.700 -0.150 0.000 0.835 280 E HN 0.356 nan 8.360 nan 0.000 0.493 281 H N -0.007 119.034 119.070 -0.047 0.000 2.467 281 H HA 0.350 4.906 4.556 -0.000 0.000 0.275 281 H C -0.234 175.068 175.328 -0.044 0.000 1.131 281 H CA -0.057 55.967 56.048 -0.041 0.000 0.989 281 H CB 0.276 30.020 29.762 -0.030 0.000 1.696 281 H HN 0.019 nan 8.280 nan 0.000 0.574 282 N N -1.117 117.595 118.700 0.020 0.000 3.449 282 N HA 0.102 4.842 4.740 -0.000 0.000 0.312 282 N C -0.037 175.445 175.510 -0.047 0.000 1.582 282 N CA -0.304 52.743 53.050 -0.005 0.000 0.850 282 N CB 0.734 39.219 38.487 -0.003 0.000 1.822 282 N HN 0.231 nan 8.380 nan 0.000 0.577 283 G N 0.463 109.236 108.800 -0.045 0.000 2.326 283 G HA2 0.328 4.288 3.960 -0.000 0.000 0.286 283 G HA3 0.328 4.288 3.960 -0.000 0.000 0.286 283 G C -0.098 174.749 174.900 -0.089 0.000 0.927 283 G CA 0.412 45.475 45.100 -0.061 0.000 1.553 283 G HN 0.538 nan 8.290 nan 0.000 0.415 284 A N 5.763 128.500 122.820 -0.140 0.000 2.774 284 A HA 0.566 4.886 4.320 -0.000 0.000 0.326 284 A C -1.259 176.180 177.584 -0.242 0.000 1.478 284 A CA -1.432 50.483 52.037 -0.202 0.000 1.099 284 A CB 0.616 19.444 19.000 -0.286 0.000 1.148 284 A HN 0.508 nan 8.150 nan 0.000 0.519 285 P HA -0.026 nan 4.420 nan 0.000 0.238 285 P C 0.761 178.011 177.300 -0.083 0.000 1.714 285 P CA 0.103 63.150 63.100 -0.089 0.000 0.908 285 P CB -0.444 31.232 31.700 -0.039 0.000 1.893 286 H N 1.229 120.181 119.070 -0.195 0.000 1.452 286 H HA -0.246 4.310 4.556 -0.000 0.000 0.090 286 H C 0.531 175.594 175.328 -0.442 0.000 1.308 286 H CA 2.292 58.097 56.048 -0.405 0.000 1.901 286 H CB -1.259 28.130 29.762 -0.622 0.000 2.257 286 H HN 0.578 nan 8.280 nan 0.000 0.961 287 H N -0.376 118.781 119.070 0.146 0.000 2.591 287 H HA 0.582 5.138 4.556 -0.000 0.000 0.302 287 H C 0.809 176.161 175.328 0.040 0.000 1.163 287 H CA 0.710 56.801 56.048 0.072 0.000 1.049 287 H CB 0.211 30.006 29.762 0.054 0.000 1.543 287 H HN 0.469 nan 8.280 nan 0.000 0.523 288 A N -0.010 122.855 122.820 0.075 0.000 2.551 288 A HA 0.233 4.553 4.320 -0.000 0.000 0.252 288 A C 1.563 179.156 177.584 0.015 0.000 1.199 288 A CA -0.160 51.901 52.037 0.039 0.000 0.972 288 A CB 0.312 19.322 19.000 0.017 0.000 1.153 288 A HN 0.346 nan 8.150 nan 0.000 0.559 289 I N 0.036 120.616 120.570 0.016 0.000 3.039 289 I HA -0.038 4.132 4.170 -0.000 0.000 0.270 289 I C 2.179 178.309 176.117 0.021 0.000 1.150 289 I CA 1.000 62.298 61.300 -0.002 0.000 1.448 289 I CB 0.214 38.195 38.000 -0.032 0.000 1.197 289 I HN 0.537 nan 8.210 nan 0.000 0.450 290 E N 0.439 120.679 120.200 0.066 0.000 2.472 290 E HA -0.224 4.126 4.350 -0.000 0.000 0.200 290 E C 1.255 177.881 176.600 0.043 0.000 1.046 290 E CA 0.825 57.267 56.400 0.071 0.000 0.871 290 E CB -0.235 29.544 29.700 0.132 0.000 0.806 290 E HN 0.537 nan 8.360 nan 0.000 0.533 291 E N 0.116 120.337 120.200 0.035 0.000 2.478 291 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 291 E C 1.247 177.840 176.600 -0.011 0.000 1.045 291 E CA 0.529 56.937 56.400 0.014 0.000 0.868 291 E CB 0.433 30.143 29.700 0.017 0.000 0.885 291 E HN 0.416 nan 8.360 nan 0.000 0.505 292 A N 0.361 123.173 122.820 -0.013 0.000 2.456 292 A HA 0.070 4.390 4.320 -0.000 0.000 0.237 292 A C 1.594 179.160 177.584 -0.031 0.000 1.217 292 A CA -0.252 51.766 52.037 -0.032 0.000 0.962 292 A CB 0.249 19.230 19.000 -0.031 0.000 1.079 292 A HN 0.130 nan 8.150 nan 0.000 0.536 293 E N 0.808 120.998 120.200 -0.016 0.000 2.318 293 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 293 E C 1.534 178.124 176.600 -0.017 0.000 0.998 293 E CA 1.175 57.565 56.400 -0.018 0.000 0.859 293 E CB 0.058 29.753 29.700 -0.010 0.000 0.812 293 E HN 0.576 nan 8.360 nan 0.000 0.492 294 S N 0.492 116.187 115.700 -0.007 0.000 2.481 294 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 294 S C 1.841 176.452 174.600 0.019 0.000 0.996 294 S CA 0.337 58.544 58.200 0.012 0.000 0.942 294 S CB -0.079 63.131 63.200 0.017 0.000 0.768 294 S HN 0.243 nan 8.310 nan 0.000 0.520 295 L N 0.661 121.863 121.223 -0.035 0.000 2.095 295 L HA 0.280 4.620 4.340 -0.000 0.000 0.204 295 L C 2.134 178.973 176.870 -0.052 0.000 1.080 295 L CA 1.140 55.920 54.840 -0.099 0.000 0.759 295 L CB -0.573 41.382 42.059 -0.174 0.000 0.914 295 L HN 0.285 nan 8.230 nan 0.000 0.439 296 L N -0.437 120.770 121.223 -0.027 0.000 2.093 296 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 296 L C 2.505 179.404 176.870 0.048 0.000 1.085 296 L CA 1.781 56.628 54.840 0.011 0.000 0.755 296 L CB -0.577 41.480 42.059 -0.004 0.000 0.904 296 L HN 0.479 nan 8.230 nan 0.000 0.435 297 Q N -1.700 118.124 119.800 0.039 0.000 2.364 297 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 297 Q C 1.819 177.884 176.000 0.107 0.000 0.970 297 Q CA 1.532 57.360 55.803 0.042 0.000 0.888 297 Q CB -0.280 28.467 28.738 0.015 0.000 0.951 297 Q HN 0.532 nan 8.270 nan 0.000 0.469 298 F N -0.687 119.260 119.950 -0.005 0.000 2.085 298 F HA 0.001 4.528 4.527 -0.000 0.000 0.284 298 F C 1.977 177.851 175.800 0.124 0.000 1.127 298 F CA 1.761 59.779 58.000 0.030 0.000 1.164 298 F CB -0.538 38.440 39.000 -0.036 0.000 1.035 298 F HN 0.156 nan 8.300 nan 0.000 0.481 299 H N -0.688 118.523 119.070 0.235 0.000 2.289 299 H HA -0.198 4.358 4.556 -0.000 0.000 0.294 299 H C 2.035 177.364 175.328 0.002 0.000 1.095 299 H CA 1.631 57.741 56.048 0.104 0.000 1.256 299 H CB -0.390 29.471 29.762 0.166 0.000 1.359 299 H HN 0.174 nan 8.280 nan 0.000 0.487 300 V N 0.693 120.701 119.914 0.156 0.000 3.383 300 V HA -0.144 3.976 4.120 -0.000 0.000 0.272 300 V C 2.132 178.277 176.094 0.084 0.000 1.181 300 V CA 1.015 63.383 62.300 0.114 0.000 1.171 300 V CB -0.604 31.262 31.823 0.073 0.000 0.800 300 V HN 0.492 nan 8.190 nan 0.000 0.515 301 A N -0.086 122.723 122.820 -0.019 0.000 1.871 301 A HA -0.050 4.270 4.320 -0.000 0.000 0.211 301 A C 2.366 179.867 177.584 -0.139 0.000 1.207 301 A CA 1.660 53.640 52.037 -0.096 0.000 0.620 301 A CB -0.779 18.129 19.000 -0.152 0.000 0.860 301 A HN 0.392 nan 8.150 nan 0.000 0.450 302 T N -0.806 113.604 114.554 -0.240 0.000 2.622 302 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 302 T C 1.763 176.439 174.700 -0.041 0.000 1.047 302 T CA 1.926 63.903 62.100 -0.205 0.000 1.159 302 T CB -0.632 68.055 68.868 -0.302 0.000 0.863 302 T HN 0.531 nan 8.240 nan 0.000 0.422 303 Y N 1.263 121.507 120.300 -0.095 0.000 2.265 303 Y HA -0.295 4.255 4.550 -0.000 0.000 0.280 303 Y C 1.966 177.839 175.900 -0.046 0.000 1.222 303 Y CA 1.520 59.588 58.100 -0.053 0.000 1.226 303 Y CB -0.449 37.995 38.460 -0.026 0.000 0.968 303 Y HN 0.266 nan 8.280 nan 0.000 0.540 304 M N -1.807 117.698 119.600 -0.159 0.000 2.800 304 M HA 0.116 4.596 4.480 -0.000 0.000 0.257 304 M C -0.318 175.899 176.300 -0.138 0.000 1.309 304 M CA 0.550 55.706 55.300 -0.239 0.000 1.202 304 M CB 0.521 33.024 32.600 -0.162 0.000 1.273 304 M HN -0.042 nan 8.290 nan 0.000 0.528 305 D N 0.058 120.390 120.400 -0.114 0.000 2.896 305 D HA 0.248 4.888 4.640 -0.000 0.000 0.241 305 D C -1.261 174.982 176.300 -0.096 0.000 1.188 305 D CA -0.091 53.857 54.000 -0.087 0.000 0.879 305 D CB 1.273 42.036 40.800 -0.062 0.000 1.553 305 D HN -0.117 nan 8.370 nan 0.000 0.515 306 N N 2.553 121.209 118.700 -0.074 0.000 2.451 306 N HA 0.144 4.884 4.740 -0.000 0.000 0.271 306 N C -1.213 174.277 175.510 -0.032 0.000 1.410 306 N CA -0.109 52.905 53.050 -0.061 0.000 0.884 306 N CB 0.570 39.030 38.487 -0.045 0.000 1.332 306 N HN 0.316 nan 8.380 nan 0.000 0.498 307 D N 0.742 121.122 120.400 -0.033 0.000 2.945 307 D HA 0.236 4.876 4.640 -0.000 0.000 0.366 307 D C 0.803 177.095 176.300 -0.013 0.000 1.352 307 D CA -0.134 53.854 54.000 -0.019 0.000 0.810 307 D CB 1.104 41.888 40.800 -0.027 0.000 1.170 307 D HN 0.302 nan 8.370 nan 0.000 0.461 308 I N 0.067 120.632 120.570 -0.009 0.000 3.394 308 I HA 0.216 4.386 4.170 -0.000 0.000 0.264 308 I C 1.862 177.986 176.117 0.012 0.000 1.184 308 I CA -0.447 60.852 61.300 -0.001 0.000 0.890 308 I CB 0.544 38.544 38.000 0.001 0.000 1.619 308 I HN -0.072 nan 8.210 nan 0.000 0.820 309 A N 1.056 123.887 122.820 0.017 0.000 1.924 309 A HA 0.189 4.509 4.320 -0.000 0.000 0.211 309 A C 1.673 179.277 177.584 0.034 0.000 1.198 309 A CA 0.760 52.810 52.037 0.022 0.000 0.657 309 A CB -0.894 18.117 19.000 0.019 0.000 0.852 309 A HN 0.850 nan 8.150 nan 0.000 0.454 310 G N 0.171 108.997 108.800 0.044 0.000 2.924 310 G HA2 0.299 4.259 3.960 -0.000 0.000 0.273 310 G HA3 0.299 4.259 3.960 -0.000 0.000 0.273 310 G C 0.568 175.513 174.900 0.076 0.000 0.734 310 G CA 0.196 45.332 45.100 0.060 0.000 2.065 310 G HN 0.575 nan 8.290 nan 0.000 0.580 311 Q N 0.533 120.370 119.800 0.061 0.000 2.410 311 Q HA -0.252 4.088 4.340 -0.000 0.000 0.227 311 Q C -0.987 175.069 176.000 0.093 0.000 1.099 311 Q CA 1.959 57.800 55.803 0.064 0.000 0.988 311 Q CB -1.686 27.083 28.738 0.051 0.000 1.051 311 Q HN 0.453 nan 8.270 nan 0.000 0.518 312 P HA -0.198 nan 4.420 nan 0.000 0.220 312 P C -0.304 177.124 177.300 0.214 0.000 1.000 312 P CA 1.101 64.299 63.100 0.163 0.000 0.905 312 P CB -0.035 31.786 31.700 0.202 0.000 0.858 313 Q N 3.032 122.925 119.800 0.156 0.000 2.432 313 Q HA 0.071 4.411 4.340 -0.000 0.000 0.205 313 Q C 0.914 177.031 176.000 0.194 0.000 0.945 313 Q CA 0.753 56.638 55.803 0.138 0.000 0.924 313 Q CB 0.097 28.885 28.738 0.084 0.000 1.016 313 Q HN 0.613 nan 8.270 nan 0.000 0.503 314 A N 1.264 124.246 122.820 0.270 0.000 2.237 314 A HA -0.179 4.141 4.320 -0.000 0.000 0.281 314 A C -0.145 177.550 177.584 0.185 0.000 1.414 314 A CA 0.171 52.397 52.037 0.314 0.000 0.733 314 A CB -2.184 17.163 19.000 0.579 0.000 1.168 314 A HN 0.363 nan 8.150 nan 0.000 0.347 315 L N 1.355 122.655 121.223 0.128 0.000 2.380 315 L HA 0.267 4.607 4.340 -0.000 0.000 0.273 315 L C 1.212 178.139 176.870 0.096 0.000 1.138 315 L CA -0.195 54.701 54.840 0.093 0.000 0.832 315 L CB 0.720 42.821 42.059 0.070 0.000 1.124 315 L HN 0.764 nan 8.230 nan 0.000 0.454 316 Q N 3.439 123.295 119.800 0.094 0.000 2.337 316 Q HA 0.005 4.345 4.340 -0.000 0.000 0.270 316 Q C -0.048 176.008 176.000 0.093 0.000 1.002 316 Q CA -0.270 55.601 55.803 0.113 0.000 0.888 316 Q CB 0.721 29.540 28.738 0.136 0.000 1.222 316 Q HN 0.397 nan 8.270 nan 0.000 0.400 317 K N 2.300 122.752 120.400 0.087 0.000 2.272 317 K HA -0.156 4.164 4.320 -0.000 0.000 0.259 317 K C -0.548 176.091 176.600 0.065 0.000 1.280 317 K CA 1.314 57.640 56.287 0.064 0.000 1.275 317 K CB -0.518 32.012 32.500 0.050 0.000 0.800 317 K HN 0.782 nan 8.250 nan 0.000 0.484 318 S N 0.914 116.646 115.700 0.052 0.000 4.704 318 S HA -0.034 4.436 4.470 -0.000 0.000 0.039 318 S C 0.748 175.372 174.600 0.039 0.000 0.868 318 S CA -0.022 58.205 58.200 0.044 0.000 0.896 318 S CB -1.537 61.693 63.200 0.051 0.000 0.327 318 S HN 1.043 nan 8.310 nan 0.000 0.805 319 G N 1.775 110.600 108.800 0.041 0.000 2.200 319 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.268 319 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.268 319 G C 0.007 174.929 174.900 0.037 0.000 0.986 319 G CA 0.799 45.922 45.100 0.038 0.000 0.677 319 G HN 0.952 nan 8.290 nan 0.000 0.532 320 R N 0.692 121.217 120.500 0.041 0.000 2.234 320 R HA 0.343 4.683 4.340 -0.000 0.000 0.324 320 R C -0.689 175.635 176.300 0.040 0.000 1.054 320 R CA -1.432 54.689 56.100 0.034 0.000 0.912 320 R CB 0.748 31.067 30.300 0.031 0.000 1.030 320 R HN 0.036 nan 8.270 nan 0.000 0.455 321 P HA -0.287 nan 4.420 nan 0.000 0.218 321 P C -0.518 176.804 177.300 0.037 0.000 1.132 321 P CA 1.249 64.369 63.100 0.033 0.000 0.968 321 P CB 0.123 31.833 31.700 0.016 0.000 0.783 322 V N -2.724 117.202 119.914 0.021 0.000 3.019 322 V HA -0.108 4.012 4.120 -0.000 0.000 0.437 322 V C -0.167 175.923 176.094 -0.008 0.000 0.682 322 V CA -0.252 62.057 62.300 0.016 0.000 1.970 322 V CB -0.788 31.062 31.823 0.045 0.000 2.457 322 V HN 0.144 nan 8.190 nan 0.000 0.489 323 K N 4.258 124.641 120.400 -0.027 0.000 2.294 323 K HA 0.379 4.699 4.320 -0.000 0.000 0.288 323 K C 0.817 177.379 176.600 -0.064 0.000 1.072 323 K CA 0.513 56.772 56.287 -0.047 0.000 0.960 323 K CB 0.542 33.008 32.500 -0.055 0.000 1.043 323 K HN 0.873 nan 8.250 nan 0.000 0.455 324 S N 2.323 117.979 115.700 -0.074 0.000 2.580 324 S HA 0.082 4.552 4.470 -0.000 0.000 0.266 324 S C 1.552 176.061 174.600 -0.152 0.000 1.354 324 S CA -0.635 57.497 58.200 -0.113 0.000 1.008 324 S CB 0.617 63.755 63.200 -0.104 0.000 0.898 324 S HN 0.471 nan 8.310 nan 0.000 0.555 325 I N 1.192 121.621 120.570 -0.234 0.000 2.208 325 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 325 I C 2.920 178.933 176.117 -0.174 0.000 1.097 325 I CA 1.990 63.156 61.300 -0.224 0.000 1.363 325 I CB -0.579 37.238 38.000 -0.304 0.000 1.051 325 I HN 0.840 nan 8.210 nan 0.000 0.413 326 R N 2.239 122.642 120.500 -0.162 0.000 2.119 326 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 326 R C 2.230 178.439 176.300 -0.152 0.000 1.146 326 R CA 1.992 57.985 56.100 -0.177 0.000 0.962 326 R CB -0.639 29.583 30.300 -0.131 0.000 0.863 326 R HN 0.293 nan 8.270 nan 0.000 0.442 327 A N 1.002 123.751 122.820 -0.119 0.000 2.070 327 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 327 A C 2.059 179.588 177.584 -0.092 0.000 1.159 327 A CA 1.280 53.260 52.037 -0.095 0.000 0.656 327 A CB -0.398 18.556 19.000 -0.076 0.000 0.800 327 A HN 0.450 nan 8.150 nan 0.000 0.453 328 R N -0.814 119.624 120.500 -0.104 0.000 2.193 328 R HA 0.126 4.466 4.340 -0.000 0.000 0.213 328 R C 1.394 177.639 176.300 -0.091 0.000 1.055 328 R CA 0.960 57.005 56.100 -0.091 0.000 0.995 328 R CB -0.204 30.040 30.300 -0.094 0.000 0.893 328 R HN 0.526 nan 8.270 nan 0.000 0.459 329 L N 0.120 121.274 121.223 -0.116 0.000 2.470 329 L HA 0.140 4.480 4.340 -0.000 0.000 0.219 329 L C 0.900 177.704 176.870 -0.110 0.000 1.071 329 L CA -0.127 54.642 54.840 -0.119 0.000 0.850 329 L CB -0.107 41.853 42.059 -0.164 0.000 1.040 329 L HN -0.038 nan 8.230 nan 0.000 0.475 330 K N 2.325 122.657 120.400 -0.114 0.000 2.511 330 K HA -0.006 4.313 4.320 -0.000 0.000 0.277 330 K C 0.729 177.289 176.600 -0.066 0.000 1.025 330 K CA 0.256 56.484 56.287 -0.098 0.000 1.112 330 K CB 0.331 32.779 32.500 -0.087 0.000 0.859 330 K HN 0.165 nan 8.250 nan 0.000 0.485 331 G N 3.414 112.181 108.800 -0.056 0.000 2.852 331 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.228 331 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.228 331 G C -0.524 174.372 174.900 -0.007 0.000 1.227 331 G CA 0.430 45.518 45.100 -0.020 0.000 0.854 331 G HN 0.946 nan 8.290 nan 0.000 0.573 332 K N 0.274 120.681 120.400 0.011 0.000 6.999 332 K HA -0.236 4.083 4.320 -0.000 0.000 0.712 332 K C 0.739 177.337 176.600 -0.004 0.000 2.465 332 K CA 1.551 57.845 56.287 0.012 0.000 1.780 332 K CB -0.598 31.914 32.500 0.020 0.000 1.897 332 K HN 0.990 nan 8.250 nan 0.000 0.299 333 E N -0.792 119.405 120.200 -0.004 0.000 3.496 333 E HA -0.212 4.138 4.350 -0.000 0.000 0.300 333 E C 0.188 176.776 176.600 -0.021 0.000 0.877 333 E CA 1.727 58.120 56.400 -0.011 0.000 1.050 333 E CB -1.558 28.135 29.700 -0.012 0.000 1.532 333 E HN 0.869 nan 8.360 nan 0.000 0.447 334 G N -0.220 108.566 108.800 -0.024 0.000 2.723 334 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 334 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 334 G C 0.439 175.317 174.900 -0.037 0.000 1.464 334 G CA 0.067 45.145 45.100 -0.036 0.000 1.012 334 G HN -0.018 nan 8.290 nan 0.000 0.522 335 R N 1.053 121.530 120.500 -0.039 0.000 2.527 335 R HA -0.342 3.998 4.340 -0.000 0.000 0.132 335 R C 2.219 178.500 176.300 -0.031 0.000 0.631 335 R CA 2.499 58.577 56.100 -0.037 0.000 0.194 335 R CB -1.096 29.175 30.300 -0.048 0.000 0.586 335 R HN 0.559 nan 8.270 nan 0.000 0.227 336 I N -0.310 120.238 120.570 -0.036 0.000 2.040 336 I HA -0.257 3.913 4.170 -0.000 0.000 0.224 336 I C 2.391 178.500 176.117 -0.012 0.000 1.038 336 I CA 1.985 63.270 61.300 -0.025 0.000 1.330 336 I CB -1.288 36.693 38.000 -0.031 0.000 1.076 336 I HN 0.406 nan 8.210 nan 0.000 0.388 337 R N 0.675 121.172 120.500 -0.004 0.000 2.189 337 R HA -0.108 4.232 4.340 -0.000 0.000 0.223 337 R C 2.124 178.424 176.300 -0.001 0.000 1.092 337 R CA 1.372 57.476 56.100 0.007 0.000 0.989 337 R CB -0.257 30.059 30.300 0.026 0.000 0.876 337 R HN 0.551 nan 8.270 nan 0.000 0.457 338 G N -0.246 108.549 108.800 -0.008 0.000 2.437 338 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.212 338 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.212 338 G C 1.088 175.981 174.900 -0.011 0.000 1.174 338 G CA 0.107 45.202 45.100 -0.009 0.000 0.811 338 G HN 0.287 nan 8.290 nan 0.000 0.537 339 N N -0.325 118.366 118.700 -0.016 0.000 2.220 339 N HA 0.246 4.986 4.740 -0.000 0.000 0.195 339 N C 1.530 177.030 175.510 -0.017 0.000 1.123 339 N CA 0.067 53.108 53.050 -0.016 0.000 0.874 339 N CB 1.108 39.584 38.487 -0.019 0.000 0.995 339 N HN 0.246 nan 8.380 nan 0.000 0.498 340 L N -0.220 120.993 121.223 -0.017 0.000 2.600 340 L HA 0.257 4.597 4.340 -0.000 0.000 0.213 340 L C 1.745 178.603 176.870 -0.020 0.000 1.045 340 L CA 0.166 54.995 54.840 -0.018 0.000 0.863 340 L CB 0.048 42.097 42.059 -0.016 0.000 1.189 340 L HN -0.024 nan 8.230 nan 0.000 0.484 341 M N -0.035 119.555 119.600 -0.016 0.000 2.562 341 M HA 0.182 4.662 4.480 -0.000 0.000 0.257 341 M C 0.635 176.921 176.300 -0.024 0.000 1.099 341 M CA 0.475 55.763 55.300 -0.019 0.000 1.099 341 M CB -0.429 32.165 32.600 -0.011 0.000 1.427 341 M HN 0.193 nan 8.290 nan 0.000 0.489 342 G N 0.667 109.455 108.800 -0.020 0.000 2.635 342 G HA2 0.467 4.427 3.960 -0.000 0.000 0.295 342 G HA3 0.467 4.427 3.960 -0.000 0.000 0.295 342 G C -1.047 173.844 174.900 -0.014 0.000 1.359 342 G CA -0.741 44.347 45.100 -0.020 0.000 1.232 342 G HN 0.144 nan 8.290 nan 0.000 0.597 343 K N 0.859 121.250 120.400 -0.015 0.000 2.279 343 K HA 0.696 5.016 4.320 -0.000 0.000 0.238 343 K C 0.086 176.690 176.600 0.007 0.000 1.084 343 K CA -1.025 55.258 56.287 -0.006 0.000 0.885 343 K CB 2.071 34.565 32.500 -0.010 0.000 1.319 343 K HN 0.365 nan 8.250 nan 0.000 0.494 344 R N 0.608 121.118 120.500 0.018 0.000 2.500 344 R HA 0.438 4.778 4.340 -0.000 0.000 0.277 344 R C -0.376 175.952 176.300 0.046 0.000 1.026 344 R CA -0.714 55.410 56.100 0.039 0.000 1.058 344 R CB 1.383 31.706 30.300 0.038 0.000 1.078 344 R HN 0.485 nan 8.270 nan 0.000 0.509 345 V N -1.673 118.289 119.914 0.080 0.000 3.155 345 V HA 0.548 4.668 4.120 -0.000 0.000 0.313 345 V C -0.833 175.351 176.094 0.149 0.000 1.162 345 V CA -0.950 61.407 62.300 0.095 0.000 1.048 345 V CB 2.347 34.213 31.823 0.071 0.000 1.092 345 V HN 0.595 nan 8.190 nan 0.000 0.447 346 D N 0.185 120.711 120.400 0.211 0.000 2.440 346 D HA 0.533 5.173 4.640 -0.000 0.000 0.258 346 D C -0.496 176.083 176.300 0.465 0.000 1.092 346 D CA 0.014 54.188 54.000 0.289 0.000 1.016 346 D CB 0.977 42.026 40.800 0.416 0.000 1.141 346 D HN 0.706 nan 8.370 nan 0.000 0.552 347 F N -0.018 119.984 119.950 0.087 0.000 2.807 347 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 347 F C 0.141 176.037 175.800 0.160 0.000 1.024 347 F CA 0.150 58.214 58.000 0.108 0.000 1.008 347 F CB -2.023 37.032 39.000 0.091 0.000 1.142 347 F HN 0.213 nan 8.300 nan 0.000 0.829 348 S N -0.777 115.051 115.700 0.213 0.000 2.533 348 S HA 0.991 5.461 4.470 -0.000 0.000 0.271 348 S C -0.638 174.020 174.600 0.098 0.000 1.143 348 S CA -0.278 58.029 58.200 0.178 0.000 0.891 348 S CB 2.364 65.723 63.200 0.266 0.000 1.105 348 S HN 1.399 nan 8.310 nan 0.000 0.468 349 A N 1.731 124.603 122.820 0.086 0.000 2.569 349 A HA 0.986 5.306 4.320 -0.000 0.000 0.290 349 A C -0.735 177.008 177.584 0.264 0.000 1.136 349 A CA -0.994 51.147 52.037 0.172 0.000 0.710 349 A CB 1.896 21.045 19.000 0.248 0.000 1.303 349 A HN 1.138 nan 8.150 nan 0.000 0.413 350 R N -0.276 120.409 120.500 0.308 0.000 2.594 350 R HA 0.644 4.984 4.340 -0.000 0.000 0.265 350 R C -0.779 175.619 176.300 0.163 0.000 1.070 350 R CA 0.445 56.770 56.100 0.375 0.000 0.909 350 R CB 1.862 32.267 30.300 0.175 0.000 1.243 350 R HN 1.355 nan 8.270 nan 0.000 0.455 351 T N -1.405 113.212 114.554 0.104 0.000 2.628 351 T HA 0.389 4.739 4.350 -0.000 0.000 0.274 351 T C -1.096 173.571 174.700 -0.054 0.000 1.154 351 T CA -0.465 61.526 62.100 -0.182 0.000 1.144 351 T CB 0.690 69.189 68.868 -0.614 0.000 1.734 351 T HN 0.195 nan 8.240 nan 0.000 0.449 352 V N 2.530 122.369 119.914 -0.125 0.000 2.427 352 V HA 0.596 4.716 4.120 -0.000 0.000 0.286 352 V C 0.339 176.424 176.094 -0.015 0.000 1.034 352 V CA -0.880 61.403 62.300 -0.029 0.000 0.893 352 V CB 0.712 32.506 31.823 -0.049 0.000 0.982 352 V HN 0.861 nan 8.190 nan 0.000 0.452 353 I N 2.754 123.372 120.570 0.080 0.000 2.488 353 I HA 0.897 5.067 4.170 -0.000 0.000 0.299 353 I C 0.044 176.029 176.117 -0.220 0.000 0.984 353 I CA 0.031 61.365 61.300 0.056 0.000 1.250 353 I CB 1.976 40.105 38.000 0.215 0.000 1.389 353 I HN 0.665 nan 8.210 nan 0.000 0.488 354 S N 3.009 118.395 115.700 -0.524 0.000 2.546 354 S HA 0.696 5.166 4.470 -0.000 0.000 0.272 354 S C -0.101 173.836 174.600 -1.105 0.000 1.140 354 S CA -0.599 56.921 58.200 -1.133 0.000 0.920 354 S CB 0.995 63.867 63.200 -0.547 0.000 1.083 354 S HN 1.174 nan 8.310 nan 0.000 0.476 355 G N 0.574 108.359 108.800 -1.693 0.000 2.699 355 G HA2 0.462 4.422 3.960 -0.000 0.000 0.246 355 G HA3 0.462 4.422 3.960 -0.000 0.000 0.246 355 G C -0.777 174.031 174.900 -0.155 0.000 1.219 355 G CA 0.026 44.928 45.100 -0.330 0.000 0.866 355 G HN 0.850 nan 8.290 nan 0.000 0.572 356 D N -0.286 120.106 120.400 -0.013 0.000 2.369 356 D HA 0.117 4.757 4.640 -0.000 0.000 0.212 356 D C -2.584 173.744 176.300 0.045 0.000 1.326 356 D CA -0.954 53.042 54.000 -0.007 0.000 0.933 356 D CB 2.034 42.798 40.800 -0.059 0.000 1.516 356 D HN 0.141 nan 8.370 nan 0.000 0.557 357 P HA 0.229 nan 4.420 nan 0.000 0.237 357 P C -0.177 177.190 177.300 0.111 0.000 1.723 357 P CA -0.055 63.115 63.100 0.117 0.000 0.882 357 P CB -0.034 31.755 31.700 0.148 0.000 1.810 358 N N -0.201 118.533 118.700 0.057 0.000 2.081 358 N HA 0.182 4.922 4.740 -0.000 0.000 0.230 358 N C -0.256 175.246 175.510 -0.013 0.000 1.351 358 N CA 0.032 53.092 53.050 0.017 0.000 0.840 358 N CB 1.007 39.490 38.487 -0.005 0.000 1.189 358 N HN 0.240 nan 8.380 nan 0.000 0.503 359 L N 1.820 123.044 121.223 0.003 0.000 2.356 359 L HA 0.440 4.780 4.340 -0.000 0.000 0.277 359 L C 0.096 176.977 176.870 0.018 0.000 0.996 359 L CA -0.968 53.867 54.840 -0.009 0.000 0.822 359 L CB 1.795 43.836 42.059 -0.029 0.000 1.256 359 L HN -0.172 nan 8.230 nan 0.000 0.413 360 E N 2.298 122.508 120.200 0.016 0.000 2.437 360 E HA -0.038 4.312 4.350 -0.000 0.000 0.263 360 E C 0.912 177.535 176.600 0.038 0.000 1.030 360 E CA -0.312 56.111 56.400 0.039 0.000 0.934 360 E CB 1.112 30.830 29.700 0.029 0.000 0.943 360 E HN 0.421 nan 8.360 nan 0.000 0.444 361 L N 2.734 123.977 121.223 0.035 0.000 2.169 361 L HA -0.358 3.982 4.340 -0.000 0.000 0.244 361 L C 1.912 178.811 176.870 0.048 0.000 1.122 361 L CA 2.881 57.711 54.840 -0.017 0.000 0.848 361 L CB -1.001 40.975 42.059 -0.138 0.000 0.953 361 L HN 0.816 nan 8.230 nan 0.000 0.447 362 D N -1.364 119.053 120.400 0.028 0.000 2.384 362 D HA -0.143 4.497 4.640 -0.000 0.000 0.222 362 D C 1.055 177.450 176.300 0.158 0.000 0.976 362 D CA 0.555 54.588 54.000 0.055 0.000 0.915 362 D CB -0.344 40.443 40.800 -0.022 0.000 0.896 362 D HN 0.576 nan 8.370 nan 0.000 0.523 363 Q N -0.689 119.169 119.800 0.096 0.000 2.407 363 Q HA 0.436 4.776 4.340 -0.000 0.000 0.214 363 Q C -0.931 175.049 176.000 -0.032 0.000 1.043 363 Q CA -0.496 55.329 55.803 0.037 0.000 0.983 363 Q CB 1.961 30.692 28.738 -0.012 0.000 1.211 363 Q HN 0.064 nan 8.270 nan 0.000 0.564 364 V N 0.243 120.060 119.914 -0.162 0.000 2.739 364 V HA 0.425 4.545 4.120 -0.000 0.000 0.293 364 V C -0.905 175.024 176.094 -0.276 0.000 1.199 364 V CA -0.404 61.652 62.300 -0.405 0.000 0.931 364 V CB 1.533 32.880 31.823 -0.794 0.000 1.052 364 V HN 0.806 nan 8.190 nan 0.000 0.441 365 G N 5.528 114.198 108.800 -0.217 0.000 2.358 365 G HA2 0.513 4.473 3.960 -0.000 0.000 0.273 365 G HA3 0.513 4.473 3.960 -0.000 0.000 0.273 365 G C -0.603 174.267 174.900 -0.051 0.000 1.215 365 G CA -0.147 44.882 45.100 -0.119 0.000 0.910 365 G HN 0.953 nan 8.290 nan 0.000 0.467 366 V N 5.959 125.857 119.914 -0.027 0.000 2.384 366 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 366 V C -1.848 174.226 176.094 -0.032 0.000 1.020 366 V CA -1.859 60.474 62.300 0.056 0.000 0.850 366 V CB 2.078 33.945 31.823 0.073 0.000 0.987 366 V HN 0.679 nan 8.190 nan 0.000 0.436 367 P HA 0.017 nan 4.420 nan 0.000 0.262 367 P C 0.664 177.886 177.300 -0.130 0.000 1.199 367 P CA 0.028 63.059 63.100 -0.116 0.000 0.763 367 P CB 0.805 32.410 31.700 -0.158 0.000 0.790 368 K N 3.479 123.767 120.400 -0.185 0.000 2.207 368 K HA -0.278 4.042 4.320 -0.000 0.000 0.208 368 K C 1.933 178.430 176.600 -0.172 0.000 1.046 368 K CA 2.243 58.373 56.287 -0.262 0.000 0.929 368 K CB -0.418 31.904 32.500 -0.297 0.000 0.720 368 K HN 0.388 nan 8.250 nan 0.000 0.463 369 S N 0.567 116.186 115.700 -0.135 0.000 2.365 369 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 369 S C 1.911 176.473 174.600 -0.065 0.000 1.039 369 S CA 1.697 59.837 58.200 -0.100 0.000 1.033 369 S CB -0.314 62.826 63.200 -0.100 0.000 0.887 369 S HN 0.448 nan 8.310 nan 0.000 0.447 370 I N 1.573 122.112 120.570 -0.051 0.000 2.353 370 I HA -0.028 4.142 4.170 -0.000 0.000 0.248 370 I C 2.885 179.029 176.117 0.045 0.000 1.119 370 I CA 0.882 62.185 61.300 0.007 0.000 1.417 370 I CB -0.679 37.349 38.000 0.046 0.000 1.078 370 I HN 0.423 nan 8.210 nan 0.000 0.421 371 A N 0.920 123.753 122.820 0.022 0.000 2.076 371 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 371 A C 2.228 179.903 177.584 0.151 0.000 1.160 371 A CA 1.482 53.580 52.037 0.101 0.000 0.653 371 A CB -0.369 18.671 19.000 0.067 0.000 0.801 371 A HN 0.364 nan 8.150 nan 0.000 0.455 372 K N -1.451 118.971 120.400 0.035 0.000 2.356 372 K HA 0.031 4.351 4.320 -0.000 0.000 0.195 372 K C 1.630 178.358 176.600 0.213 0.000 1.037 372 K CA 1.067 57.368 56.287 0.022 0.000 1.014 372 K CB 0.055 32.477 32.500 -0.129 0.000 0.815 372 K HN 0.412 nan 8.250 nan 0.000 0.507 373 T N 1.666 116.278 114.554 0.096 0.000 2.814 373 T HA 0.089 4.439 4.350 -0.000 0.000 0.254 373 T C 0.952 175.647 174.700 -0.009 0.000 1.037 373 T CA 0.477 62.593 62.100 0.027 0.000 1.143 373 T CB 0.057 68.924 68.868 -0.001 0.000 0.866 373 T HN -0.009 nan 8.240 nan 0.000 0.431 374 L N 1.290 122.532 121.223 0.031 0.000 2.464 374 L HA 0.460 4.800 4.340 -0.000 0.000 0.264 374 L C 0.548 177.470 176.870 0.085 0.000 1.199 374 L CA -0.247 54.598 54.840 0.008 0.000 0.818 374 L CB 0.690 42.812 42.059 0.105 0.000 1.102 374 L HN 0.185 nan 8.230 nan 0.000 0.473 375 T N -0.102 114.529 114.554 0.129 0.000 2.841 375 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 375 T C -1.843 173.123 174.700 0.443 0.000 1.166 375 T CA -0.477 61.762 62.100 0.232 0.000 1.007 375 T CB 1.494 70.435 68.868 0.121 0.000 1.253 375 T HN 0.444 nan 8.240 nan 0.000 0.511 376 Y N 3.079 123.496 120.300 0.196 0.000 2.354 376 Y HA 0.558 5.108 4.550 -0.000 0.000 0.330 376 Y C -2.601 173.354 175.900 0.092 0.000 1.011 376 Y CA -2.392 55.795 58.100 0.145 0.000 1.099 376 Y CB 2.338 40.856 38.460 0.098 0.000 1.179 376 Y HN 0.382 nan 8.280 nan 0.000 0.442 377 P HA 0.074 nan 4.420 nan 0.000 0.273 377 P C -0.882 176.350 177.300 -0.113 0.000 1.319 377 P CA 0.333 63.310 63.100 -0.205 0.000 0.885 377 P CB 0.883 32.426 31.700 -0.263 0.000 1.015 378 E N 2.670 122.965 120.200 0.159 0.000 2.214 378 E HA 0.347 4.697 4.350 -0.000 0.000 0.274 378 E C -0.464 176.200 176.600 0.106 0.000 0.977 378 E CA -1.071 55.467 56.400 0.229 0.000 0.827 378 E CB 1.352 31.197 29.700 0.242 0.000 1.130 378 E HN 0.189 nan 8.360 nan 0.000 0.394 379 V N 1.950 121.918 119.914 0.090 0.000 2.364 379 V HA 0.262 4.382 4.120 -0.000 0.000 0.272 379 V C 0.134 176.232 176.094 0.006 0.000 1.036 379 V CA -1.122 61.208 62.300 0.051 0.000 0.880 379 V CB 0.981 32.829 31.823 0.042 0.000 0.991 379 V HN 0.434 nan 8.190 nan 0.000 0.460 380 V N 4.632 124.545 119.914 -0.001 0.000 2.536 380 V HA 0.107 4.227 4.120 -0.000 0.000 0.287 380 V C 0.931 176.841 176.094 -0.306 0.000 0.979 380 V CA 1.466 63.690 62.300 -0.126 0.000 1.161 380 V CB -0.208 31.561 31.823 -0.091 0.000 0.915 380 V HN 1.144 nan 8.190 nan 0.000 0.467 381 T N 6.422 120.757 114.554 -0.365 0.000 2.893 381 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 381 T C -1.928 172.408 174.700 -0.608 0.000 1.028 381 T CA -2.142 59.650 62.100 -0.513 0.000 0.995 381 T CB 2.341 70.951 68.868 -0.430 0.000 1.051 381 T HN 0.454 nan 8.240 nan 0.000 0.470 382 P HA 0.007 nan 4.420 nan 0.000 0.250 382 P C 0.264 177.555 177.300 -0.014 0.000 1.239 382 P CA 0.755 63.746 63.100 -0.181 0.000 0.756 382 P CB -0.506 31.329 31.700 0.225 0.000 1.013 383 Y N 0.332 120.612 120.300 -0.033 0.000 2.442 383 Y HA 0.105 4.655 4.550 -0.000 0.000 0.250 383 Y C 1.303 177.185 175.900 -0.030 0.000 1.113 383 Y CA -0.171 57.920 58.100 -0.015 0.000 1.273 383 Y CB 0.101 38.557 38.460 -0.007 0.000 1.138 383 Y HN 0.168 nan 8.280 nan 0.000 0.522 384 N N -2.246 116.482 118.700 0.047 0.000 1.997 384 N HA -0.013 4.727 4.740 -0.000 0.000 0.225 384 N C 0.729 176.208 175.510 -0.052 0.000 1.383 384 N CA -0.076 52.981 53.050 0.012 0.000 0.770 384 N CB -0.829 37.674 38.487 0.026 0.000 1.178 384 N HN 0.006 nan 8.380 nan 0.000 0.515 385 I N 1.496 121.985 120.570 -0.134 0.000 2.479 385 I HA -0.251 3.919 4.170 -0.000 0.000 0.258 385 I C 0.388 176.464 176.117 -0.068 0.000 1.165 385 I CA 1.539 62.729 61.300 -0.183 0.000 1.422 385 I CB -0.343 37.483 38.000 -0.290 0.000 1.087 385 I HN 0.269 nan 8.210 nan 0.000 0.441 386 D N -0.437 119.946 120.400 -0.028 0.000 2.232 386 D HA -0.131 4.509 4.640 -0.000 0.000 0.220 386 D C 2.049 178.350 176.300 0.002 0.000 0.982 386 D CA 0.490 54.489 54.000 -0.003 0.000 0.892 386 D CB -0.369 40.438 40.800 0.011 0.000 1.040 386 D HN 0.224 nan 8.370 nan 0.000 0.463 387 R N 0.647 121.150 120.500 0.005 0.000 2.153 387 R HA -0.197 4.143 4.340 -0.000 0.000 0.252 387 R C 2.315 178.619 176.300 0.008 0.000 1.158 387 R CA 1.230 57.334 56.100 0.007 0.000 0.975 387 R CB -0.287 30.018 30.300 0.009 0.000 0.871 387 R HN 0.075 nan 8.270 nan 0.000 0.450 388 L N -0.637 120.590 121.223 0.006 0.000 2.068 388 L HA -0.074 4.265 4.340 -0.000 0.000 0.204 388 L C 2.428 179.313 176.870 0.024 0.000 1.076 388 L CA 1.850 56.701 54.840 0.017 0.000 0.753 388 L CB -0.614 41.457 42.059 0.019 0.000 0.910 388 L HN 0.150 nan 8.230 nan 0.000 0.439 389 T N -1.162 113.404 114.554 0.020 0.000 2.721 389 T HA -0.315 4.035 4.350 -0.000 0.000 0.268 389 T C 1.799 176.517 174.700 0.028 0.000 1.038 389 T CA 1.651 63.769 62.100 0.030 0.000 1.145 389 T CB -0.217 68.665 68.868 0.022 0.000 0.858 389 T HN 0.219 nan 8.240 nan 0.000 0.459 390 Q N 1.081 120.893 119.800 0.020 0.000 1.993 390 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 390 Q C 2.188 178.199 176.000 0.019 0.000 0.984 390 Q CA 1.575 57.388 55.803 0.017 0.000 0.837 390 Q CB -0.799 27.945 28.738 0.010 0.000 0.902 390 Q HN 0.539 nan 8.270 nan 0.000 0.423 391 L N -0.546 120.687 121.223 0.017 0.000 2.012 391 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 391 L C 2.394 179.280 176.870 0.026 0.000 1.073 391 L CA 1.286 56.137 54.840 0.020 0.000 0.748 391 L CB -0.890 41.178 42.059 0.015 0.000 0.891 391 L HN 0.125 nan 8.230 nan 0.000 0.431 392 V N 0.034 119.967 119.914 0.031 0.000 2.231 392 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 392 V C 2.643 178.763 176.094 0.043 0.000 1.054 392 V CA 2.002 64.327 62.300 0.041 0.000 1.015 392 V CB -0.672 31.188 31.823 0.063 0.000 0.638 392 V HN 0.437 nan 8.190 nan 0.000 0.444 393 R N -0.120 120.405 120.500 0.042 0.000 2.148 393 R HA -0.085 4.255 4.340 -0.000 0.000 0.227 393 R C 2.140 178.460 176.300 0.034 0.000 1.103 393 R CA 0.935 57.058 56.100 0.039 0.000 0.983 393 R CB -0.528 29.793 30.300 0.035 0.000 0.874 393 R HN 0.512 nan 8.270 nan 0.000 0.451 394 N N 0.790 119.509 118.700 0.032 0.000 2.417 394 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 394 N C 0.729 176.264 175.510 0.041 0.000 1.027 394 N CA 1.364 54.433 53.050 0.031 0.000 0.891 394 N CB 0.040 38.543 38.487 0.027 0.000 0.956 394 N HN 0.354 nan 8.380 nan 0.000 0.442 395 G N 0.178 109.006 108.800 0.047 0.000 2.795 395 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.664 395 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.664 395 G C -2.522 172.433 174.900 0.091 0.000 1.381 395 G CA -0.226 44.907 45.100 0.055 0.000 0.853 395 G HN 0.148 nan 8.290 nan 0.000 0.545 396 P HA 0.254 nan 4.420 nan 0.000 0.262 396 P C 0.293 177.709 177.300 0.193 0.000 1.651 396 P CA -0.115 63.105 63.100 0.201 0.000 1.119 396 P CB 0.302 32.034 31.700 0.053 0.000 1.552 397 N N -0.349 118.411 118.700 0.101 0.000 2.529 397 N HA 0.060 4.800 4.740 -0.000 0.000 0.231 397 N C 0.569 176.074 175.510 -0.008 0.000 1.072 397 N CA 0.216 53.284 53.050 0.029 0.000 0.854 397 N CB 0.009 38.505 38.487 0.014 0.000 1.465 397 N HN 0.149 nan 8.380 nan 0.000 0.452 398 E N 0.266 120.470 120.200 0.006 0.000 2.425 398 E HA -0.071 4.279 4.350 -0.000 0.000 0.258 398 E C 0.421 177.002 176.600 -0.032 0.000 1.151 398 E CA 0.053 56.451 56.400 -0.004 0.000 0.958 398 E CB 0.789 30.491 29.700 0.004 0.000 0.968 398 E HN 0.302 nan 8.360 nan 0.000 0.451 399 H N 2.350 121.353 119.070 -0.113 0.000 2.524 399 H HA -0.006 4.550 4.556 -0.000 0.000 0.301 399 H C -1.624 173.618 175.328 -0.144 0.000 1.033 399 H CA 0.719 56.659 56.048 -0.181 0.000 1.179 399 H CB -1.166 28.520 29.762 -0.126 0.000 1.446 399 H HN 0.281 nan 8.280 nan 0.000 0.617 400 P HA 0.138 nan 4.420 nan 0.000 0.252 400 P C -0.430 176.788 177.300 -0.137 0.000 1.183 400 P CA 1.090 63.869 63.100 -0.536 0.000 0.973 400 P CB 0.197 31.730 31.700 -0.278 0.000 0.990 401 G N 1.572 110.447 108.800 0.125 0.000 2.976 401 G HA2 0.834 4.794 3.960 -0.000 0.000 0.276 401 G HA3 0.834 4.794 3.960 -0.000 0.000 0.276 401 G C -1.712 173.283 174.900 0.158 0.000 1.207 401 G CA -0.237 45.015 45.100 0.255 0.000 0.803 401 G HN 0.500 nan 8.290 nan 0.000 0.572 402 A N -1.189 121.561 122.820 -0.117 0.000 2.597 402 A HA 0.689 5.009 4.320 -0.000 0.000 0.292 402 A C -0.187 177.207 177.584 -0.316 0.000 1.057 402 A CA 0.344 52.161 52.037 -0.366 0.000 0.674 402 A CB 1.283 20.212 19.000 -0.119 0.000 1.278 402 A HN 1.202 nan 8.150 nan 0.000 0.416 403 K N -0.568 119.618 120.400 -0.355 0.000 2.440 403 K HA 0.419 4.739 4.320 -0.000 0.000 0.207 403 K C -0.841 175.602 176.600 -0.263 0.000 1.112 403 K CA 0.076 56.161 56.287 -0.336 0.000 1.036 403 K CB 0.637 32.834 32.500 -0.504 0.000 0.935 403 K HN 0.575 nan 8.250 nan 0.000 0.564 404 Y N 0.489 120.741 120.300 -0.079 0.000 2.470 404 Y HA 0.450 5.000 4.550 -0.000 0.000 0.341 404 Y C -1.236 174.621 175.900 -0.072 0.000 1.021 404 Y CA -1.506 56.550 58.100 -0.072 0.000 1.025 404 Y CB 2.852 41.270 38.460 -0.070 0.000 1.266 404 Y HN -0.338 nan 8.280 nan 0.000 0.448 405 V N 5.517 125.476 119.914 0.075 0.000 2.443 405 V HA 0.431 4.551 4.120 -0.000 0.000 0.293 405 V C -0.445 175.511 176.094 -0.231 0.000 1.021 405 V CA -0.631 61.639 62.300 -0.051 0.000 0.848 405 V CB 1.572 33.379 31.823 -0.028 0.000 0.998 405 V HN 0.502 nan 8.190 nan 0.000 0.424 406 I N 3.079 123.478 120.570 -0.284 0.000 2.378 406 I HA 0.692 4.862 4.170 -0.000 0.000 0.291 406 I C 0.095 175.812 176.117 -0.668 0.000 0.992 406 I CA -0.860 60.197 61.300 -0.404 0.000 1.154 406 I CB 1.470 39.312 38.000 -0.263 0.000 1.315 406 I HN 0.457 nan 8.210 nan 0.000 0.448 407 R N 2.673 122.618 120.500 -0.924 0.000 2.583 407 R HA 0.245 4.585 4.340 -0.000 0.000 0.268 407 R C 0.659 176.702 176.300 -0.428 0.000 1.101 407 R CA -0.460 54.852 56.100 -1.314 0.000 1.180 407 R CB 0.437 30.108 30.300 -1.049 0.000 1.128 407 R HN 0.723 nan 8.270 nan 0.000 0.568 408 D N 0.241 120.617 120.400 -0.039 0.000 2.106 408 D HA -0.217 4.423 4.640 -0.000 0.000 0.191 408 D C 0.587 176.885 176.300 -0.003 0.000 0.997 408 D CA 1.623 55.672 54.000 0.081 0.000 0.834 408 D CB -0.583 40.340 40.800 0.204 0.000 0.956 408 D HN 0.462 nan 8.370 nan 0.000 0.448 409 S N 0.053 115.757 115.700 0.006 0.000 3.597 409 S HA 0.224 4.694 4.470 -0.000 0.000 0.208 409 S C 1.490 176.051 174.600 -0.065 0.000 1.091 409 S CA -0.062 58.128 58.200 -0.017 0.000 1.103 409 S CB -1.438 61.766 63.200 0.007 0.000 1.369 409 S HN 0.581 nan 8.310 nan 0.000 0.447 410 G N 1.134 109.889 108.800 -0.075 0.000 2.386 410 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.286 410 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.286 410 G C -0.238 174.595 174.900 -0.111 0.000 0.831 410 G CA 0.728 45.774 45.100 -0.090 0.000 1.018 410 G HN 0.777 nan 8.290 nan 0.000 0.486 411 D N -1.111 119.195 120.400 -0.157 0.000 2.896 411 D HA 0.501 5.141 4.640 -0.000 0.000 0.241 411 D C 0.337 176.493 176.300 -0.240 0.000 1.188 411 D CA -0.945 52.954 54.000 -0.169 0.000 0.879 411 D CB 0.895 41.615 40.800 -0.134 0.000 1.553 411 D HN 0.484 nan 8.370 nan 0.000 0.515 412 R N 3.209 123.558 120.500 -0.252 0.000 2.265 412 R HA 0.604 4.944 4.340 -0.000 0.000 0.319 412 R C -0.199 175.929 176.300 -0.287 0.000 1.006 412 R CA -0.714 55.191 56.100 -0.324 0.000 0.880 412 R CB 0.966 31.000 30.300 -0.444 0.000 1.077 412 R HN 0.315 nan 8.270 nan 0.000 0.454 413 I N 2.354 122.776 120.570 -0.248 0.000 2.371 413 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 413 I C 0.090 176.175 176.117 -0.052 0.000 1.028 413 I CA -0.398 60.821 61.300 -0.135 0.000 1.345 413 I CB 1.144 39.088 38.000 -0.094 0.000 1.407 413 I HN 0.645 nan 8.210 nan 0.000 0.501 414 D N 7.395 127.794 120.400 -0.000 0.000 2.468 414 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 414 D C 1.132 177.540 176.300 0.181 0.000 1.155 414 D CA -0.193 53.913 54.000 0.177 0.000 0.924 414 D CB 0.868 41.683 40.800 0.025 0.000 1.029 414 D HN 0.541 nan 8.370 nan 0.000 0.515 415 L N 3.094 124.441 121.223 0.207 0.000 2.468 415 L HA -0.220 4.120 4.340 -0.000 0.000 0.225 415 L C 2.178 179.130 176.870 0.137 0.000 1.139 415 L CA 1.166 56.082 54.840 0.126 0.000 0.792 415 L CB -0.169 41.934 42.059 0.073 0.000 0.916 415 L HN 0.392 nan 8.230 nan 0.000 0.446 416 R N -2.596 118.035 120.500 0.217 0.000 2.334 416 R HA 0.056 4.396 4.340 -0.000 0.000 0.212 416 R C 1.021 177.623 176.300 0.503 0.000 0.897 416 R CA 0.251 56.539 56.100 0.314 0.000 1.056 416 R CB 0.043 30.541 30.300 0.329 0.000 1.046 416 R HN 0.344 nan 8.270 nan 0.000 0.513 417 Y N -0.047 120.276 120.300 0.037 0.000 2.723 417 Y HA 0.210 4.760 4.550 -0.000 0.000 0.272 417 Y C 0.822 176.739 175.900 0.028 0.000 1.142 417 Y CA -0.783 57.334 58.100 0.029 0.000 1.217 417 Y CB 0.544 39.022 38.460 0.031 0.000 1.391 417 Y HN -0.059 nan 8.280 nan 0.000 0.479 418 S N 3.262 119.087 115.700 0.208 0.000 3.225 418 S HA -0.135 4.335 4.470 -0.000 0.000 0.378 418 S C 1.002 175.658 174.600 0.094 0.000 1.190 418 S CA -0.032 58.236 58.200 0.114 0.000 1.104 418 S CB -0.011 63.235 63.200 0.077 0.000 0.795 418 S HN 0.506 nan 8.310 nan 0.000 0.517 419 K N 4.528 124.974 120.400 0.076 0.000 2.703 419 K HA -0.057 4.263 4.320 -0.000 0.000 0.197 419 K C 0.933 177.564 176.600 0.052 0.000 1.016 419 K CA 1.126 57.448 56.287 0.058 0.000 0.981 419 K CB -0.132 32.395 32.500 0.046 0.000 0.805 419 K HN 0.630 nan 8.250 nan 0.000 0.490 420 R N -0.739 119.796 120.500 0.059 0.000 2.549 420 R HA 0.220 4.560 4.340 -0.000 0.000 0.344 420 R C 1.594 177.932 176.300 0.063 0.000 0.979 420 R CA 0.379 56.514 56.100 0.058 0.000 1.140 420 R CB 0.459 30.797 30.300 0.063 0.000 1.377 420 R HN 0.245 nan 8.270 nan 0.000 0.541 421 A N 1.374 124.233 122.820 0.066 0.000 1.900 421 A HA -0.249 4.071 4.320 -0.000 0.000 0.225 421 A C 2.041 179.659 177.584 0.057 0.000 1.414 421 A CA 2.332 54.409 52.037 0.066 0.000 0.702 421 A CB -1.316 17.722 19.000 0.064 0.000 0.845 421 A HN 0.445 nan 8.150 nan 0.000 0.478 422 G N -1.824 107.004 108.800 0.047 0.000 2.990 422 G HA2 0.200 4.160 3.960 -0.000 0.000 0.206 422 G HA3 0.200 4.160 3.960 -0.000 0.000 0.206 422 G C 0.542 175.468 174.900 0.044 0.000 1.169 422 G CA 0.915 46.039 45.100 0.041 0.000 0.819 422 G HN 0.557 nan 8.290 nan 0.000 0.517 423 D N -0.114 120.319 120.400 0.053 0.000 2.424 423 D HA 0.419 5.059 4.640 -0.000 0.000 0.239 423 D C 0.727 177.072 176.300 0.076 0.000 1.246 423 D CA -0.592 53.443 54.000 0.058 0.000 1.129 423 D CB 0.600 41.435 40.800 0.059 0.000 1.199 423 D HN 0.028 nan 8.370 nan 0.000 0.584 424 I N 0.670 121.298 120.570 0.096 0.000 8.263 424 I HA -0.212 3.958 4.170 -0.000 0.000 0.126 424 I C -0.976 175.208 176.117 0.112 0.000 1.853 424 I CA -0.050 61.337 61.300 0.144 0.000 2.038 424 I CB -0.441 37.661 38.000 0.171 0.000 3.798 424 I HN 0.289 nan 8.210 nan 0.000 0.169 425 Q N 6.870 126.720 119.800 0.084 0.000 2.314 425 Q HA 0.628 4.968 4.340 -0.000 0.000 0.259 425 Q C -0.214 175.757 176.000 -0.048 0.000 0.951 425 Q CA -0.705 55.101 55.803 0.005 0.000 0.909 425 Q CB 2.059 30.771 28.738 -0.044 0.000 1.236 425 Q HN 0.507 nan 8.270 nan 0.000 0.444 426 L N 2.177 123.385 121.223 -0.026 0.000 2.436 426 L HA 0.172 4.511 4.340 -0.000 0.000 0.265 426 L C 0.549 177.210 176.870 -0.348 0.000 1.168 426 L CA -0.280 54.527 54.840 -0.056 0.000 0.815 426 L CB 0.473 42.564 42.059 0.054 0.000 1.109 426 L HN 0.338 nan 8.230 nan 0.000 0.462 427 Q N 2.114 121.478 119.800 -0.727 0.000 2.333 427 Q HA 0.256 4.596 4.340 -0.000 0.000 0.265 427 Q C -1.193 174.635 176.000 -0.287 0.000 0.989 427 Q CA -0.837 54.495 55.803 -0.785 0.000 0.842 427 Q CB 1.410 29.062 28.738 -1.809 0.000 1.262 427 Q HN 0.315 nan 8.270 nan 0.000 0.451 428 Y N 1.267 121.414 120.300 -0.255 0.000 2.857 428 Y HA 0.055 4.605 4.550 -0.000 0.000 0.373 428 Y C 1.548 177.404 175.900 -0.073 0.000 1.346 428 Y CA 2.012 60.031 58.100 -0.134 0.000 1.736 428 Y CB -0.354 38.026 38.460 -0.133 0.000 1.236 428 Y HN 0.979 nan 8.280 nan 0.000 0.507 429 G N 0.934 109.793 108.800 0.098 0.000 2.318 429 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.172 429 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.172 429 G C -0.248 174.819 174.900 0.278 0.000 1.002 429 G CA -0.915 44.272 45.100 0.145 0.000 0.697 429 G HN 0.388 nan 8.290 nan 0.000 0.483 430 W N 1.527 122.817 121.300 -0.016 0.000 2.184 430 W HA 0.726 5.386 4.660 -0.000 0.000 0.338 430 W C 0.609 177.111 176.519 -0.028 0.000 1.257 430 W CA -0.676 56.657 57.345 -0.020 0.000 1.243 430 W CB 0.754 30.204 29.460 -0.015 0.000 1.122 430 W HN -0.033 nan 8.180 nan 0.000 0.585 431 K N 1.268 121.722 120.400 0.090 0.000 2.274 431 K HA 0.511 4.831 4.320 -0.000 0.000 0.262 431 K C -1.338 175.275 176.600 0.022 0.000 0.961 431 K CA -0.548 55.759 56.287 0.033 0.000 0.833 431 K CB 1.372 33.856 32.500 -0.027 0.000 1.102 431 K HN 0.153 nan 8.250 nan 0.000 0.436 432 V N 4.329 124.277 119.914 0.058 0.000 2.289 432 V HA 0.145 4.265 4.120 -0.000 0.000 0.272 432 V C -0.419 175.718 176.094 0.071 0.000 1.026 432 V CA -0.822 61.515 62.300 0.063 0.000 0.807 432 V CB 0.990 32.859 31.823 0.077 0.000 1.044 432 V HN 0.784 nan 8.190 nan 0.000 0.443 433 E N 4.439 124.685 120.200 0.077 0.000 2.415 433 E HA 0.200 4.550 4.350 -0.000 0.000 0.260 433 E C 0.232 176.852 176.600 0.033 0.000 1.016 433 E CA 0.050 56.505 56.400 0.092 0.000 0.924 433 E CB 0.653 30.445 29.700 0.153 0.000 0.961 433 E HN 0.722 nan 8.360 nan 0.000 0.459 434 R N 2.095 122.630 120.500 0.059 0.000 2.939 434 R HA 0.411 4.751 4.340 -0.000 0.000 0.254 434 R C -0.195 176.089 176.300 -0.027 0.000 1.123 434 R CA -0.809 55.271 56.100 -0.034 0.000 1.020 434 R CB 0.576 30.898 30.300 0.036 0.000 1.206 434 R HN 0.359 nan 8.270 nan 0.000 0.491 435 H N 0.534 119.631 119.070 0.046 0.000 2.690 435 H HA 0.136 4.692 4.556 -0.000 0.000 0.365 435 H C 0.367 175.748 175.328 0.089 0.000 1.142 435 H CA -0.160 55.922 56.048 0.056 0.000 1.417 435 H CB 0.573 30.337 29.762 0.003 0.000 1.446 435 H HN 0.316 nan 8.280 nan 0.000 0.599 436 I N 2.846 123.578 120.570 0.271 0.000 2.710 436 I HA -0.036 4.134 4.170 -0.000 0.000 0.286 436 I C 0.940 177.168 176.117 0.186 0.000 1.181 436 I CA 0.651 62.070 61.300 0.199 0.000 1.430 436 I CB -0.641 37.469 38.000 0.184 0.000 1.367 436 I HN 0.386 nan 8.210 nan 0.000 0.577 437 M N 3.400 123.064 119.600 0.107 0.000 2.821 437 M HA 0.366 4.846 4.480 -0.000 0.000 0.304 437 M C -0.143 176.202 176.300 0.075 0.000 1.233 437 M CA -1.003 54.356 55.300 0.100 0.000 0.851 437 M CB 1.347 33.965 32.600 0.029 0.000 1.723 437 M HN 0.395 nan 8.290 nan 0.000 0.493 438 D N 1.757 122.202 120.400 0.075 0.000 2.488 438 D HA 0.019 4.659 4.640 -0.000 0.000 0.238 438 D C -0.391 175.913 176.300 0.008 0.000 1.138 438 D CA 1.083 55.105 54.000 0.036 0.000 0.873 438 D CB 0.173 40.990 40.800 0.027 0.000 1.183 438 D HN 0.592 nan 8.370 nan 0.000 0.458 439 N N 1.448 120.148 118.700 -0.001 0.000 2.814 439 N HA -0.142 4.598 4.740 -0.000 0.000 0.247 439 N C -1.571 173.923 175.510 -0.028 0.000 1.089 439 N CA 0.583 53.625 53.050 -0.013 0.000 0.682 439 N CB -0.534 37.943 38.487 -0.018 0.000 0.970 439 N HN 0.351 nan 8.380 nan 0.000 0.554 440 D N 0.314 120.702 120.400 -0.020 0.000 2.308 440 D HA 0.290 4.930 4.640 -0.000 0.000 0.242 440 D C -2.263 174.036 176.300 -0.001 0.000 1.059 440 D CA -1.248 52.725 54.000 -0.045 0.000 0.830 440 D CB 1.561 42.336 40.800 -0.042 0.000 1.161 440 D HN 0.042 nan 8.370 nan 0.000 0.494 441 P HA 0.055 nan 4.420 nan 0.000 0.268 441 P C -0.579 176.763 177.300 0.071 0.000 1.205 441 P CA -0.195 62.924 63.100 0.032 0.000 0.771 441 P CB 0.995 32.709 31.700 0.023 0.000 0.858 442 V N 2.851 122.822 119.914 0.094 0.000 2.971 442 V HA 0.328 4.448 4.120 -0.000 0.000 0.309 442 V C 0.024 176.226 176.094 0.179 0.000 1.130 442 V CA -1.001 61.377 62.300 0.130 0.000 0.964 442 V CB 2.413 34.297 31.823 0.102 0.000 1.029 442 V HN 0.455 nan 8.190 nan 0.000 0.427 443 L N 3.790 125.133 121.223 0.200 0.000 2.261 443 L HA 0.568 4.908 4.340 -0.000 0.000 0.289 443 L C -1.408 175.636 176.870 0.291 0.000 1.059 443 L CA -0.294 54.684 54.840 0.230 0.000 0.816 443 L CB 0.657 42.841 42.059 0.209 0.000 1.191 443 L HN 0.759 nan 8.230 nan 0.000 0.431 444 F N 7.318 127.370 119.950 0.170 0.000 2.449 444 F HA 0.499 5.026 4.527 -0.000 0.000 0.342 444 F C -0.453 175.504 175.800 0.262 0.000 1.127 444 F CA -0.689 57.357 58.000 0.077 0.000 0.975 444 F CB 1.075 40.075 39.000 0.001 0.000 1.146 444 F HN 0.563 nan 8.300 nan 0.000 0.444 445 N N 5.050 123.552 118.700 -0.329 0.000 2.732 445 N HA 0.415 5.155 4.740 -0.000 0.000 0.259 445 N C -2.077 173.303 175.510 -0.217 0.000 1.402 445 N CA -0.841 52.121 53.050 -0.146 0.000 0.829 445 N CB 2.473 40.923 38.487 -0.063 0.000 1.495 445 N HN 0.830 nan 8.380 nan 0.000 0.511 446 R N 1.435 121.926 120.500 -0.015 0.000 2.473 446 R HA 0.270 4.610 4.340 -0.000 0.000 0.303 446 R C -0.696 175.605 176.300 0.002 0.000 1.002 446 R CA -0.379 55.723 56.100 0.002 0.000 0.884 446 R CB 1.148 31.507 30.300 0.098 0.000 1.173 446 R HN 0.614 nan 8.270 nan 0.000 0.464 447 Q N 3.938 123.736 119.800 -0.004 0.000 2.454 447 Q HA 0.214 4.554 4.340 -0.000 0.000 0.247 447 Q C -1.926 174.078 176.000 0.007 0.000 1.028 447 Q CA -1.589 54.213 55.803 -0.001 0.000 0.910 447 Q CB 0.429 29.171 28.738 0.008 0.000 1.276 447 Q HN 0.470 nan 8.270 nan 0.000 0.489 448 P HA 0.026 nan 4.420 nan 0.000 0.276 448 P C -1.049 176.236 177.300 -0.024 0.000 1.243 448 P CA -0.120 62.973 63.100 -0.011 0.000 0.768 448 P CB 0.766 32.458 31.700 -0.013 0.000 0.856 449 S N 3.664 119.346 115.700 -0.029 0.000 3.072 449 S HA 0.136 4.606 4.470 -0.000 0.000 0.306 449 S C 0.931 175.501 174.600 -0.049 0.000 1.207 449 S CA -0.423 57.751 58.200 -0.044 0.000 1.008 449 S CB -0.653 62.521 63.200 -0.042 0.000 1.390 449 S HN 0.376 nan 8.310 nan 0.000 0.523 450 L N -0.253 120.939 121.223 -0.052 0.000 3.014 450 L HA 0.560 4.900 4.340 -0.000 0.000 0.263 450 L C 0.096 176.919 176.870 -0.079 0.000 1.207 450 L CA -0.076 54.716 54.840 -0.079 0.000 1.017 450 L CB -1.014 40.982 42.059 -0.104 0.000 1.360 450 L HN 0.518 nan 8.230 nan 0.000 0.560 451 H N -0.668 118.331 119.070 -0.119 0.000 2.894 451 H HA 0.383 4.939 4.556 -0.000 0.000 0.368 451 H C 0.282 175.528 175.328 -0.138 0.000 1.181 451 H CA -0.831 55.140 56.048 -0.129 0.000 1.146 451 H CB 2.588 32.269 29.762 -0.135 0.000 1.839 451 H HN -0.040 nan 8.280 nan 0.000 0.557 452 K N 1.502 121.912 120.400 0.016 0.000 2.228 452 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 452 K C 0.971 177.474 176.600 -0.161 0.000 1.051 452 K CA 1.022 57.257 56.287 -0.086 0.000 0.960 452 K CB 0.227 32.672 32.500 -0.092 0.000 0.743 452 K HN 0.523 nan 8.250 nan 0.000 0.458 453 M N 0.430 119.864 119.600 -0.277 0.000 2.659 453 M HA 0.030 4.510 4.480 -0.000 0.000 0.243 453 M C 1.573 177.612 176.300 -0.434 0.000 1.111 453 M CA 0.589 55.667 55.300 -0.370 0.000 1.070 453 M CB 0.490 32.776 32.600 -0.522 0.000 1.525 453 M HN -0.071 nan 8.290 nan 0.000 0.517 454 S N 0.084 115.608 115.700 -0.293 0.000 2.419 454 S HA 0.094 4.564 4.470 -0.000 0.000 0.233 454 S C 0.793 175.124 174.600 -0.449 0.000 1.016 454 S CA 0.916 58.910 58.200 -0.345 0.000 0.974 454 S CB -0.088 63.027 63.200 -0.141 0.000 0.786 454 S HN 0.440 nan 8.310 nan 0.000 0.492 455 M N 0.556 119.982 119.600 -0.290 0.000 2.393 455 M HA 0.572 5.052 4.480 -0.000 0.000 0.316 455 M C -0.827 175.402 176.300 -0.119 0.000 1.087 455 M CA 0.061 55.268 55.300 -0.155 0.000 0.937 455 M CB 2.172 34.742 32.600 -0.049 0.000 1.668 455 M HN 0.072 nan 8.290 nan 0.000 0.438 456 M N 1.040 120.656 119.600 0.026 0.000 2.683 456 M HA 0.733 5.213 4.480 -0.000 0.000 0.274 456 M C -1.337 174.988 176.300 0.041 0.000 1.272 456 M CA -0.832 54.464 55.300 -0.006 0.000 0.833 456 M CB 2.738 35.305 32.600 -0.055 0.000 1.708 456 M HN 0.768 nan 8.290 nan 0.000 0.463 457 A N 0.926 123.691 122.820 -0.092 0.000 2.276 457 A HA 0.716 5.035 4.320 -0.000 0.000 0.316 457 A C -1.238 176.225 177.584 -0.201 0.000 1.229 457 A CA -0.448 51.564 52.037 -0.042 0.000 0.851 457 A CB 0.315 19.300 19.000 -0.026 0.000 1.165 457 A HN 0.805 nan 8.150 nan 0.000 0.513 458 H N 1.343 120.449 119.070 0.060 0.000 2.731 458 H HA 0.377 4.933 4.556 -0.000 0.000 0.368 458 H C -0.448 174.866 175.328 -0.023 0.000 1.168 458 H CA -0.704 55.349 56.048 0.008 0.000 1.181 458 H CB 1.575 31.311 29.762 -0.044 0.000 1.743 458 H HN 0.697 nan 8.280 nan 0.000 0.547 459 R N 0.831 121.385 120.500 0.089 0.000 2.340 459 R HA 0.233 4.573 4.340 -0.000 0.000 0.300 459 R C -0.174 176.133 176.300 0.012 0.000 1.069 459 R CA -0.513 55.605 56.100 0.032 0.000 0.984 459 R CB 1.165 31.473 30.300 0.012 0.000 1.003 459 R HN 0.172 nan 8.270 nan 0.000 0.459 460 V N 3.651 123.566 119.914 0.001 0.000 2.583 460 V HA 0.156 4.275 4.120 -0.000 0.000 0.287 460 V C -0.250 175.832 176.094 -0.020 0.000 1.051 460 V CA 0.084 62.372 62.300 -0.020 0.000 1.010 460 V CB 1.040 32.867 31.823 0.005 0.000 0.988 460 V HN 0.538 nan 8.190 nan 0.000 0.478 461 K N 5.711 126.086 120.400 -0.041 0.000 2.579 461 K HA 0.361 4.681 4.320 -0.000 0.000 0.250 461 K C -0.981 175.591 176.600 -0.048 0.000 0.952 461 K CA -0.508 55.757 56.287 -0.037 0.000 0.857 461 K CB 1.667 34.138 32.500 -0.049 0.000 1.123 461 K HN 0.591 nan 8.250 nan 0.000 0.433 462 V N 4.358 124.245 119.914 -0.045 0.000 2.585 462 V HA 0.349 4.469 4.120 -0.000 0.000 0.296 462 V C 0.699 176.724 176.094 -0.115 0.000 1.035 462 V CA -0.398 61.834 62.300 -0.113 0.000 1.084 462 V CB -0.448 31.242 31.823 -0.223 0.000 0.953 462 V HN 0.615 nan 8.190 nan 0.000 0.483 463 I N 1.785 122.287 120.570 -0.114 0.000 2.802 463 I HA 0.734 4.904 4.170 -0.000 0.000 0.298 463 I C -2.740 173.341 176.117 -0.060 0.000 1.176 463 I CA -2.549 58.709 61.300 -0.070 0.000 1.025 463 I CB 2.620 40.596 38.000 -0.040 0.000 1.243 463 I HN 0.392 nan 8.210 nan 0.000 0.424 464 P HA 0.182 nan 4.420 nan 0.000 0.274 464 P C -1.293 176.076 177.300 0.115 0.000 1.260 464 P CA 0.421 63.495 63.100 -0.043 0.000 0.793 464 P CB 0.193 31.859 31.700 -0.057 0.000 1.048 465 Y N -2.641 117.596 120.300 -0.106 0.000 2.535 465 Y HA -0.193 4.357 4.550 -0.000 0.000 0.023 465 Y C 0.688 176.505 175.900 -0.138 0.000 1.731 465 Y CA 0.531 58.565 58.100 -0.109 0.000 1.399 465 Y CB -2.044 36.357 38.460 -0.099 0.000 2.046 465 Y HN 0.338 nan 8.280 nan 0.000 0.258 466 S N 0.934 116.630 115.700 -0.006 0.000 3.919 466 S HA 0.568 5.038 4.470 -0.000 0.000 0.245 466 S C -0.068 174.424 174.600 -0.180 0.000 1.344 466 S CA 0.114 58.246 58.200 -0.114 0.000 0.896 466 S CB -0.075 63.055 63.200 -0.117 0.000 1.557 466 S HN 0.965 nan 8.310 nan 0.000 0.468 467 T N -1.276 113.141 114.554 -0.227 0.000 2.957 467 T HA 0.513 4.862 4.350 -0.000 0.000 0.336 467 T C -0.752 173.778 174.700 -0.283 0.000 1.462 467 T CA -0.900 61.024 62.100 -0.293 0.000 1.073 467 T CB 0.179 68.939 68.868 -0.180 0.000 1.319 467 T HN 0.274 nan 8.240 nan 0.000 0.485 468 F N 1.770 121.658 119.950 -0.102 0.000 2.445 468 F HA 0.439 4.966 4.527 -0.000 0.000 0.359 468 F C 1.427 177.097 175.800 -0.216 0.000 1.101 468 F CA -0.830 57.061 58.000 -0.181 0.000 1.177 468 F CB 0.831 39.770 39.000 -0.101 0.000 1.110 468 F HN 0.224 nan 8.300 nan 0.000 0.522 469 R N 6.047 126.499 120.500 -0.080 0.000 2.272 469 R HA 0.422 4.762 4.340 -0.000 0.000 0.323 469 R C -0.714 175.477 176.300 -0.182 0.000 1.002 469 R CA -0.666 55.344 56.100 -0.150 0.000 0.900 469 R CB 0.966 31.182 30.300 -0.139 0.000 1.151 469 R HN 0.641 nan 8.270 nan 0.000 0.507 470 L N -0.511 120.612 121.223 -0.168 0.000 2.358 470 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 470 L C 0.198 177.040 176.870 -0.046 0.000 1.032 470 L CA -1.122 53.622 54.840 -0.160 0.000 0.805 470 L CB 0.980 42.973 42.059 -0.110 0.000 1.253 470 L HN 0.328 nan 8.230 nan 0.000 0.452 471 N N 0.712 119.407 118.700 -0.007 0.000 2.467 471 N HA 0.152 4.892 4.740 -0.000 0.000 0.262 471 N C 0.590 176.164 175.510 0.106 0.000 1.234 471 N CA -0.109 52.972 53.050 0.052 0.000 0.952 471 N CB 1.373 39.892 38.487 0.053 0.000 1.158 471 N HN 0.871 nan 8.380 nan 0.000 0.463 472 L N 1.516 122.825 121.223 0.143 0.000 2.005 472 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 472 L C 2.422 179.374 176.870 0.137 0.000 1.072 472 L CA 1.061 56.005 54.840 0.175 0.000 0.744 472 L CB -0.556 41.608 42.059 0.174 0.000 0.895 472 L HN 0.552 nan 8.230 nan 0.000 0.433 473 S N -0.910 114.872 115.700 0.137 0.000 2.440 473 S HA -0.175 4.295 4.470 -0.000 0.000 0.240 473 S C 1.568 176.194 174.600 0.042 0.000 1.014 473 S CA 1.109 59.384 58.200 0.125 0.000 0.980 473 S CB -0.244 63.074 63.200 0.197 0.000 0.775 473 S HN 0.260 nan 8.310 nan 0.000 0.499 474 V N 1.249 121.190 119.914 0.045 0.000 3.577 474 V HA 0.081 4.201 4.120 -0.000 0.000 0.294 474 V C 1.818 178.019 176.094 0.178 0.000 1.317 474 V CA 0.920 63.282 62.300 0.103 0.000 1.169 474 V CB -0.329 31.581 31.823 0.146 0.000 1.011 474 V HN 0.483 nan 8.190 nan 0.000 0.426 475 T N -0.376 114.260 114.554 0.137 0.000 2.939 475 T HA -0.095 4.255 4.350 -0.000 0.000 0.254 475 T C 2.078 176.877 174.700 0.165 0.000 1.041 475 T CA 1.622 63.804 62.100 0.137 0.000 1.142 475 T CB -0.030 68.895 68.868 0.096 0.000 0.874 475 T HN 0.761 nan 8.240 nan 0.000 0.452 476 S N 1.246 117.023 115.700 0.130 0.000 2.474 476 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 476 S C -0.872 173.810 174.600 0.137 0.000 0.997 476 S CA 0.355 58.623 58.200 0.113 0.000 0.949 476 S CB -1.157 62.097 63.200 0.089 0.000 0.766 476 S HN 0.449 nan 8.310 nan 0.000 0.517 477 P HA 0.159 nan 4.420 nan 0.000 0.230 477 P C 0.412 177.739 177.300 0.045 0.000 1.168 477 P CA 0.544 63.688 63.100 0.074 0.000 0.793 477 P CB -0.098 31.611 31.700 0.016 0.000 0.851 478 Y N -1.324 118.996 120.300 0.033 0.000 2.523 478 Y HA 0.160 4.710 4.550 -0.000 0.000 0.279 478 Y C 1.161 177.074 175.900 0.022 0.000 1.139 478 Y CA 0.126 58.234 58.100 0.013 0.000 1.296 478 Y CB -0.387 38.067 38.460 -0.010 0.000 1.045 478 Y HN -0.071 nan 8.280 nan 0.000 0.538 479 N N -0.621 118.183 118.700 0.174 0.000 2.829 479 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 479 N C -0.250 175.309 175.510 0.083 0.000 1.090 479 N CA 0.659 53.768 53.050 0.099 0.000 0.781 479 N CB -1.024 37.502 38.487 0.065 0.000 1.124 479 N HN 0.324 nan 8.380 nan 0.000 0.559 480 A N 0.062 122.950 122.820 0.114 0.000 2.248 480 A HA 0.682 5.002 4.320 -0.000 0.000 0.316 480 A C 0.280 177.849 177.584 -0.024 0.000 1.101 480 A CA 0.570 52.653 52.037 0.077 0.000 0.875 480 A CB 0.885 19.963 19.000 0.129 0.000 1.207 480 A HN 0.544 nan 8.150 nan 0.000 0.504 481 D N -2.742 117.619 120.400 -0.066 0.000 2.851 481 D HA 0.332 4.972 4.640 -0.000 0.000 0.339 481 D C -0.805 175.425 176.300 -0.117 0.000 1.347 481 D CA -0.456 53.319 54.000 -0.374 0.000 0.888 481 D CB 0.091 40.731 40.800 -0.267 0.000 1.431 481 D HN 0.261 nan 8.370 nan 0.000 0.509 482 F N -0.192 119.776 119.950 0.029 0.000 2.708 482 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 482 F C 0.791 176.602 175.800 0.019 0.000 1.118 482 F CA -0.853 57.162 58.000 0.025 0.000 1.307 482 F CB 0.451 39.463 39.000 0.020 0.000 0.986 482 F HN 0.251 nan 8.300 nan 0.000 0.522 483 D N 0.638 121.108 120.400 0.115 0.000 2.490 483 D HA 0.093 4.733 4.640 -0.000 0.000 0.255 483 D C 1.368 177.713 176.300 0.076 0.000 1.248 483 D CA 0.440 54.486 54.000 0.076 0.000 0.887 483 D CB -0.131 40.688 40.800 0.032 0.000 0.978 483 D HN 0.446 nan 8.370 nan 0.000 0.491 484 G N 0.392 109.255 108.800 0.104 0.000 2.141 484 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.195 484 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.195 484 G C -0.606 174.341 174.900 0.079 0.000 1.012 484 G CA -0.387 44.758 45.100 0.076 0.000 0.696 484 G HN 0.403 nan 8.290 nan 0.000 0.508 485 D N 0.636 121.104 120.400 0.114 0.000 2.264 485 D HA 0.519 5.159 4.640 -0.000 0.000 0.249 485 D C 0.736 177.106 176.300 0.118 0.000 1.070 485 D CA 0.153 54.218 54.000 0.108 0.000 0.912 485 D CB 1.270 42.143 40.800 0.123 0.000 1.193 485 D HN 0.542 nan 8.370 nan 0.000 0.427 486 E N 0.589 120.850 120.200 0.102 0.000 2.281 486 E HA 0.658 5.008 4.350 -0.000 0.000 0.257 486 E C -0.235 176.444 176.600 0.131 0.000 0.971 486 E CA -0.773 55.702 56.400 0.125 0.000 0.839 486 E CB 2.063 31.820 29.700 0.096 0.000 1.238 486 E HN 0.254 nan 8.360 nan 0.000 0.412 487 M N 0.650 120.367 119.600 0.196 0.000 2.644 487 M HA 0.352 4.832 4.480 -0.000 0.000 0.273 487 M C -1.440 174.905 176.300 0.075 0.000 1.253 487 M CA -0.982 54.352 55.300 0.056 0.000 0.852 487 M CB 2.271 34.791 32.600 -0.135 0.000 1.708 487 M HN 0.341 nan 8.290 nan 0.000 0.471 488 N N 1.318 119.945 118.700 -0.121 0.000 2.456 488 N HA 0.754 5.494 4.740 -0.000 0.000 0.296 488 N C -1.695 173.648 175.510 -0.279 0.000 1.102 488 N CA -0.453 52.501 53.050 -0.161 0.000 0.924 488 N CB 1.679 40.055 38.487 -0.184 0.000 1.186 488 N HN 0.445 nan 8.380 nan 0.000 0.492 489 L N 2.257 123.293 121.223 -0.311 0.000 2.381 489 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 489 L C -1.386 175.321 176.870 -0.271 0.000 0.988 489 L CA -0.473 54.228 54.840 -0.231 0.000 0.824 489 L CB 0.971 42.858 42.059 -0.288 0.000 1.263 489 L HN 0.541 nan 8.230 nan 0.000 0.410 490 H N 4.453 123.586 119.070 0.105 0.000 2.505 490 H HA 0.482 5.038 4.556 -0.000 0.000 0.338 490 H C -0.928 174.483 175.328 0.138 0.000 1.057 490 H CA -0.566 55.555 56.048 0.121 0.000 1.202 490 H CB 2.193 32.011 29.762 0.092 0.000 1.466 490 H HN 0.334 nan 8.280 nan 0.000 0.499 491 V N 7.093 127.192 119.914 0.309 0.000 2.364 491 V HA 0.129 4.249 4.120 -0.000 0.000 0.272 491 V C -1.578 174.643 176.094 0.212 0.000 1.036 491 V CA -1.369 61.096 62.300 0.274 0.000 0.880 491 V CB 1.137 33.171 31.823 0.352 0.000 0.991 491 V HN 0.655 nan 8.190 nan 0.000 0.460 492 P HA -0.018 nan 4.420 nan 0.000 0.272 492 P C -0.337 176.987 177.300 0.039 0.000 1.243 492 P CA 0.255 63.420 63.100 0.108 0.000 0.803 492 P CB 1.271 33.058 31.700 0.145 0.000 0.974 493 Q N -1.272 118.483 119.800 -0.075 0.000 2.330 493 Q HA 0.153 4.493 4.340 -0.000 0.000 0.254 493 Q C 0.469 176.271 176.000 -0.331 0.000 0.777 493 Q CA 0.273 55.884 55.803 -0.321 0.000 0.972 493 Q CB 0.262 28.739 28.738 -0.436 0.000 1.236 493 Q HN 0.482 nan 8.270 nan 0.000 0.508 494 S N -0.306 115.320 115.700 -0.123 0.000 2.549 494 S HA 0.319 4.789 4.470 -0.000 0.000 0.297 494 S C 0.725 175.370 174.600 0.075 0.000 1.115 494 S CA -0.354 57.809 58.200 -0.062 0.000 1.059 494 S CB 1.336 64.500 63.200 -0.060 0.000 1.046 494 S HN 0.228 nan 8.310 nan 0.000 0.506 495 E N 2.685 122.956 120.200 0.117 0.000 2.068 495 E HA -0.276 4.074 4.350 -0.000 0.000 0.207 495 E C 1.701 178.353 176.600 0.087 0.000 1.032 495 E CA 2.771 59.257 56.400 0.143 0.000 0.839 495 E CB -0.357 29.409 29.700 0.110 0.000 0.758 495 E HN 0.891 nan 8.360 nan 0.000 0.457 496 E N -1.103 119.129 120.200 0.053 0.000 2.209 496 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 496 E C 1.937 178.554 176.600 0.029 0.000 0.993 496 E CA 1.519 57.941 56.400 0.036 0.000 0.819 496 E CB -0.456 29.258 29.700 0.023 0.000 0.745 496 E HN 0.149 nan 8.360 nan 0.000 0.477 497 T N 1.877 116.448 114.554 0.029 0.000 2.520 497 T HA -0.232 4.118 4.350 -0.000 0.000 0.258 497 T C 1.787 176.510 174.700 0.037 0.000 1.125 497 T CA 2.212 64.324 62.100 0.021 0.000 1.206 497 T CB -0.374 68.503 68.868 0.015 0.000 0.864 497 T HN 0.422 nan 8.240 nan 0.000 0.400 498 R N 2.109 122.652 120.500 0.071 0.000 2.159 498 R HA -0.205 4.135 4.340 -0.000 0.000 0.252 498 R C 2.514 178.835 176.300 0.035 0.000 1.144 498 R CA 1.900 58.038 56.100 0.063 0.000 0.961 498 R CB -1.251 29.094 30.300 0.075 0.000 0.877 498 R HN 0.361 nan 8.270 nan 0.000 0.444 499 A N 1.175 124.015 122.820 0.034 0.000 1.971 499 A HA -0.283 4.037 4.320 -0.000 0.000 0.222 499 A C 2.104 179.697 177.584 0.014 0.000 1.182 499 A CA 2.104 54.154 52.037 0.023 0.000 0.649 499 A CB -0.592 18.425 19.000 0.029 0.000 0.818 499 A HN 0.646 nan 8.150 nan 0.000 0.458 500 E N -0.766 119.441 120.200 0.012 0.000 2.106 500 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 500 E C 1.995 178.592 176.600 -0.006 0.000 0.984 500 E CA 1.020 57.419 56.400 -0.001 0.000 0.806 500 E CB -0.200 29.494 29.700 -0.010 0.000 0.750 500 E HN 0.683 nan 8.360 nan 0.000 0.458 501 L N 0.673 121.898 121.223 0.004 0.000 2.007 501 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 501 L C 2.697 179.562 176.870 -0.008 0.000 1.073 501 L CA 1.436 56.278 54.840 0.003 0.000 0.744 501 L CB -0.512 41.563 42.059 0.026 0.000 0.898 501 L HN 0.141 nan 8.230 nan 0.000 0.435 502 S N -1.208 114.490 115.700 -0.002 0.000 2.419 502 S HA -0.213 4.257 4.470 -0.000 0.000 0.233 502 S C 1.860 176.450 174.600 -0.016 0.000 1.016 502 S CA 1.000 59.193 58.200 -0.010 0.000 0.974 502 S CB -0.233 62.964 63.200 -0.005 0.000 0.786 502 S HN 0.329 nan 8.310 nan 0.000 0.492 503 Q N -0.362 119.430 119.800 -0.013 0.000 2.352 503 Q HA 0.462 4.802 4.340 -0.000 0.000 0.212 503 Q C 0.892 176.875 176.000 -0.028 0.000 0.888 503 Q CA 0.416 56.209 55.803 -0.016 0.000 0.934 503 Q CB 0.346 29.082 28.738 -0.005 0.000 1.093 503 Q HN 0.542 nan 8.270 nan 0.000 0.523 504 L N -3.064 118.139 121.223 -0.033 0.000 3.154 504 L HA 0.164 4.504 4.340 -0.000 0.000 0.280 504 L C 1.011 177.850 176.870 -0.052 0.000 1.134 504 L CA 0.391 55.203 54.840 -0.046 0.000 1.037 504 L CB 0.284 42.316 42.059 -0.046 0.000 1.571 504 L HN 0.018 nan 8.230 nan 0.000 0.576 505 C N 0.337 119.609 119.300 -0.047 0.000 3.065 505 C HA 0.599 5.059 4.460 -0.000 0.000 0.285 505 C C 1.480 176.425 174.990 -0.075 0.000 1.257 505 C CA -0.715 58.269 59.018 -0.056 0.000 1.691 505 C CB -0.550 27.168 27.740 -0.036 0.000 2.089 505 C HN 0.364 nan 8.230 nan 0.000 0.630 506 A N 1.302 124.081 122.820 -0.068 0.000 2.566 506 A HA 0.288 4.608 4.320 -0.000 0.000 0.245 506 A C 1.449 178.964 177.584 -0.115 0.000 1.056 506 A CA 0.374 52.357 52.037 -0.090 0.000 0.757 506 A CB 0.228 19.192 19.000 -0.059 0.000 0.979 506 A HN 0.301 nan 8.150 nan 0.000 0.508 507 V N 4.436 124.240 119.914 -0.183 0.000 2.277 507 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 507 V C -0.283 175.744 176.094 -0.111 0.000 1.067 507 V CA 2.778 64.976 62.300 -0.170 0.000 1.047 507 V CB -1.578 30.112 31.823 -0.221 0.000 0.649 507 V HN 0.829 nan 8.190 nan 0.000 0.447 508 P HA -0.139 nan 4.420 nan 0.000 0.222 508 P C 1.621 178.900 177.300 -0.036 0.000 1.142 508 P CA 1.349 64.418 63.100 -0.052 0.000 0.788 508 P CB -0.021 31.660 31.700 -0.030 0.000 0.767 509 L N -1.279 119.916 121.223 -0.047 0.000 2.121 509 L HA -0.057 4.283 4.340 -0.000 0.000 0.200 509 L C 2.134 178.984 176.870 -0.032 0.000 1.077 509 L CA 0.862 55.682 54.840 -0.033 0.000 0.766 509 L CB -0.947 41.087 42.059 -0.041 0.000 0.931 509 L HN -0.185 nan 8.230 nan 0.000 0.452 510 Q N 0.478 120.243 119.800 -0.059 0.000 2.585 510 Q HA -0.130 4.210 4.340 -0.000 0.000 0.219 510 Q C 2.007 177.977 176.000 -0.050 0.000 0.984 510 Q CA 1.010 56.771 55.803 -0.069 0.000 0.915 510 Q CB -0.549 28.123 28.738 -0.109 0.000 0.967 510 Q HN 0.600 nan 8.270 nan 0.000 0.530 511 I N 0.129 120.683 120.570 -0.027 0.000 2.315 511 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 511 I C 0.669 176.825 176.117 0.066 0.000 1.125 511 I CA 0.754 62.061 61.300 0.011 0.000 1.392 511 I CB -0.060 37.965 38.000 0.041 0.000 1.065 511 I HN -0.067 nan 8.210 nan 0.000 0.424 512 V N -0.733 119.223 119.914 0.070 0.000 2.384 512 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 512 V C 0.138 176.280 176.094 0.081 0.000 1.020 512 V CA -0.800 61.572 62.300 0.119 0.000 0.850 512 V CB 1.395 33.309 31.823 0.152 0.000 0.987 512 V HN 0.077 nan 8.190 nan 0.000 0.436 513 S N 6.228 121.972 115.700 0.074 0.000 2.448 513 S HA 0.341 4.811 4.470 -0.000 0.000 0.279 513 S C -1.381 173.267 174.600 0.079 0.000 1.195 513 S CA -1.257 56.968 58.200 0.041 0.000 1.051 513 S CB 0.781 63.995 63.200 0.022 0.000 0.948 513 S HN 0.772 nan 8.310 nan 0.000 0.493 514 P HA 0.043 nan 4.420 nan 0.000 0.271 514 P C -0.145 177.275 177.300 0.199 0.000 1.535 514 P CA 0.184 63.362 63.100 0.130 0.000 0.820 514 P CB -0.544 31.221 31.700 0.109 0.000 1.606 515 Q N -1.542 118.338 119.800 0.135 0.000 2.081 515 Q HA 0.169 4.509 4.340 -0.000 0.000 0.220 515 Q C 0.721 176.744 176.000 0.039 0.000 0.775 515 Q CA -0.104 55.760 55.803 0.101 0.000 0.983 515 Q CB 0.234 28.936 28.738 -0.059 0.000 1.188 515 Q HN 0.091 nan 8.270 nan 0.000 0.458 516 S N -0.226 115.494 115.700 0.032 0.000 2.976 516 S HA 0.075 4.545 4.470 -0.000 0.000 0.252 516 S C -0.232 174.423 174.600 0.092 0.000 0.940 516 S CA -0.025 58.151 58.200 -0.040 0.000 1.283 516 S CB -0.796 62.424 63.200 0.033 0.000 1.194 516 S HN 0.494 nan 8.310 nan 0.000 0.662 517 N N 2.302 121.071 118.700 0.114 0.000 2.702 517 N HA -0.279 4.461 4.740 -0.000 0.000 0.261 517 N C -0.526 175.059 175.510 0.126 0.000 0.965 517 N CA 1.788 54.935 53.050 0.160 0.000 0.795 517 N CB -1.857 36.739 38.487 0.182 0.000 0.909 517 N HN 0.991 nan 8.380 nan 0.000 0.546 518 K N -2.277 118.178 120.400 0.092 0.000 2.587 518 K HA 0.464 4.784 4.320 -0.000 0.000 0.276 518 K C -3.344 173.309 176.600 0.089 0.000 0.956 518 K CA -1.811 54.450 56.287 -0.044 0.000 0.857 518 K CB 2.218 34.680 32.500 -0.063 0.000 1.431 518 K HN -0.095 nan 8.250 nan 0.000 0.420 519 P HA -0.036 nan 4.420 nan 0.000 0.266 519 P C 0.654 178.020 177.300 0.110 0.000 1.193 519 P CA -0.222 62.982 63.100 0.172 0.000 0.770 519 P CB 0.435 32.272 31.700 0.229 0.000 0.836 520 C N 0.777 120.127 119.300 0.083 0.000 3.104 520 C HA 0.507 4.967 4.460 -0.000 0.000 0.284 520 C C 0.605 175.632 174.990 0.062 0.000 1.326 520 C CA -0.460 58.590 59.018 0.052 0.000 1.725 520 C CB -1.149 26.576 27.740 -0.025 0.000 2.156 520 C HN 0.384 nan 8.230 nan 0.000 0.638 521 M N 1.015 120.674 119.600 0.098 0.000 2.658 521 M HA 0.736 5.216 4.480 -0.000 0.000 0.295 521 M C 0.101 176.577 176.300 0.293 0.000 1.248 521 M CA 0.240 55.605 55.300 0.108 0.000 0.843 521 M CB 2.411 34.968 32.600 -0.073 0.000 1.749 521 M HN 0.405 nan 8.290 nan 0.000 0.464 522 G N 0.655 109.693 108.800 0.396 0.000 2.428 522 G HA2 0.523 4.483 3.960 -0.000 0.000 0.304 522 G HA3 0.523 4.483 3.960 -0.000 0.000 0.304 522 G C -1.768 173.373 174.900 0.401 0.000 1.303 522 G CA -0.951 44.423 45.100 0.456 0.000 0.825 522 G HN 0.641 nan 8.290 nan 0.000 0.484 523 I N 0.524 121.203 120.570 0.182 0.000 2.472 523 I HA 0.545 4.715 4.170 -0.000 0.000 0.290 523 I C 0.139 176.315 176.117 0.098 0.000 1.016 523 I CA -0.587 60.793 61.300 0.132 0.000 1.348 523 I CB 1.176 39.190 38.000 0.023 0.000 1.417 523 I HN 0.230 nan 8.210 nan 0.000 0.521 524 V N 3.818 123.790 119.914 0.096 0.000 3.103 524 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 524 V C 0.089 176.214 176.094 0.052 0.000 1.322 524 V CA -0.691 61.649 62.300 0.065 0.000 1.063 524 V CB 1.518 33.381 31.823 0.067 0.000 1.090 524 V HN 0.926 nan 8.190 nan 0.000 0.462 525 Q N -0.242 119.580 119.800 0.037 0.000 1.764 525 Q HA -0.343 3.997 4.340 -0.000 0.000 0.419 525 Q C 1.032 177.050 176.000 0.030 0.000 0.871 525 Q CA 2.068 57.893 55.803 0.036 0.000 0.756 525 Q CB -1.209 27.556 28.738 0.045 0.000 4.074 525 Q HN 1.013 nan 8.270 nan 0.000 0.739 526 D N 0.103 120.534 120.400 0.050 0.000 2.380 526 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 526 D C 1.908 178.226 176.300 0.030 0.000 1.027 526 D CA 2.931 56.959 54.000 0.047 0.000 0.880 526 D CB -0.648 40.202 40.800 0.083 0.000 1.064 526 D HN 0.636 nan 8.370 nan 0.000 0.465 527 T N 0.306 114.894 114.554 0.056 0.000 2.755 527 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 527 T C 1.719 176.422 174.700 0.006 0.000 1.041 527 T CA 1.212 63.340 62.100 0.047 0.000 1.147 527 T CB -0.340 68.571 68.868 0.071 0.000 0.847 527 T HN 0.057 nan 8.240 nan 0.000 0.478 528 L N 0.892 122.114 121.223 -0.000 0.000 2.022 528 L HA 0.131 4.471 4.340 -0.000 0.000 0.204 528 L C 2.734 179.565 176.870 -0.065 0.000 1.076 528 L CA 1.434 56.258 54.840 -0.026 0.000 0.749 528 L CB -1.461 40.592 42.059 -0.010 0.000 0.903 528 L HN 0.415 nan 8.230 nan 0.000 0.439 529 C N 0.433 119.679 119.300 -0.090 0.000 2.398 529 C HA -0.142 4.318 4.460 -0.000 0.000 0.279 529 C C 2.730 177.609 174.990 -0.184 0.000 1.250 529 C CA 1.119 60.025 59.018 -0.187 0.000 1.786 529 C CB -1.788 25.774 27.740 -0.296 0.000 2.018 529 C HN 0.728 nan 8.230 nan 0.000 0.494 530 G N -0.445 108.298 108.800 -0.096 0.000 2.396 530 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 530 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 530 G C 1.496 176.330 174.900 -0.109 0.000 1.166 530 G CA 0.674 45.767 45.100 -0.012 0.000 0.793 530 G HN 0.615 nan 8.290 nan 0.000 0.533 531 I N 0.419 120.919 120.570 -0.117 0.000 3.241 531 I HA 0.018 4.188 4.170 -0.000 0.000 0.280 531 I C 2.477 178.487 176.117 -0.178 0.000 1.320 531 I CA 0.513 61.712 61.300 -0.169 0.000 1.413 531 I CB 0.018 37.945 38.000 -0.122 0.000 1.060 531 I HN 0.180 nan 8.210 nan 0.000 0.500 532 R N 0.593 121.003 120.500 -0.150 0.000 2.087 532 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 532 R C 2.093 178.315 176.300 -0.131 0.000 1.137 532 R CA 0.431 56.457 56.100 -0.123 0.000 1.022 532 R CB -0.080 30.165 30.300 -0.091 0.000 0.920 532 R HN 0.176 nan 8.270 nan 0.000 0.451 533 K N 0.731 121.065 120.400 -0.110 0.000 2.097 533 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 533 K C 2.017 178.464 176.600 -0.255 0.000 1.049 533 K CA 1.059 57.327 56.287 -0.031 0.000 0.933 533 K CB -0.184 32.430 32.500 0.189 0.000 0.717 533 K HN 0.133 nan 8.250 nan 0.000 0.442 534 L N 1.390 122.231 121.223 -0.636 0.000 2.201 534 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 534 L C 1.869 178.426 176.870 -0.522 0.000 1.105 534 L CA 1.703 55.911 54.840 -1.054 0.000 0.775 534 L CB -0.460 40.914 42.059 -1.142 0.000 0.913 534 L HN 0.078 nan 8.230 nan 0.000 0.440 535 T N -0.281 114.081 114.554 -0.320 0.000 2.571 535 T HA -0.018 4.332 4.350 -0.000 0.000 0.255 535 T C 0.707 175.317 174.700 -0.151 0.000 1.100 535 T CA 0.361 62.335 62.100 -0.210 0.000 1.199 535 T CB -0.413 68.364 68.868 -0.152 0.000 0.870 535 T HN 0.164 nan 8.240 nan 0.000 0.399 536 L N 1.978 123.148 121.223 -0.089 0.000 4.617 536 L HA -0.271 4.069 4.340 -0.000 0.000 0.574 536 L C 1.692 178.554 176.870 -0.015 0.000 1.063 536 L CA 0.054 54.878 54.840 -0.027 0.000 0.474 536 L CB 0.111 42.180 42.059 0.016 0.000 0.441 536 L HN 0.320 nan 8.230 nan 0.000 1.147 537 R N 1.810 122.320 120.500 0.017 0.000 2.117 537 R HA -0.211 4.128 4.340 -0.000 0.000 0.243 537 R C 1.407 177.819 176.300 0.185 0.000 1.143 537 R CA 1.827 57.955 56.100 0.046 0.000 0.968 537 R CB -0.215 30.131 30.300 0.077 0.000 0.863 537 R HN 0.664 nan 8.270 nan 0.000 0.444 538 D N 0.083 120.599 120.400 0.194 0.000 2.309 538 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 538 D C -0.229 176.307 176.300 0.392 0.000 0.968 538 D CA 0.828 54.992 54.000 0.274 0.000 0.882 538 D CB 0.109 41.003 40.800 0.156 0.000 0.918 538 D HN 0.063 nan 8.370 nan 0.000 0.503 539 T N 0.636 115.353 114.554 0.273 0.000 2.743 539 T HA 0.358 4.708 4.350 -0.000 0.000 0.293 539 T C -0.399 174.427 174.700 0.211 0.000 0.945 539 T CA -0.310 61.953 62.100 0.271 0.000 1.030 539 T CB 0.453 69.382 68.868 0.101 0.000 0.912 539 T HN -0.183 nan 8.240 nan 0.000 0.483 540 F N 2.199 122.225 119.950 0.126 0.000 2.577 540 F HA 0.689 5.216 4.527 -0.000 0.000 0.318 540 F C -0.013 175.902 175.800 0.192 0.000 1.065 540 F CA -1.530 56.552 58.000 0.135 0.000 0.929 540 F CB 1.465 40.522 39.000 0.095 0.000 1.237 540 F HN 0.334 nan 8.300 nan 0.000 0.468 541 I N 1.433 122.238 120.570 0.390 0.000 2.582 541 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 541 I C -0.983 175.393 176.117 0.431 0.000 1.066 541 I CA -0.841 60.664 61.300 0.342 0.000 1.053 541 I CB 2.414 40.574 38.000 0.266 0.000 1.241 541 I HN 0.608 nan 8.210 nan 0.000 0.421 542 E N 5.091 125.484 120.200 0.321 0.000 2.214 542 E HA 0.292 4.642 4.350 -0.000 0.000 0.274 542 E C 0.575 177.325 176.600 0.251 0.000 0.977 542 E CA -0.835 55.791 56.400 0.376 0.000 0.827 542 E CB 2.107 31.952 29.700 0.243 0.000 1.130 542 E HN 0.403 nan 8.360 nan 0.000 0.394 543 L N 2.923 124.372 121.223 0.377 0.000 2.352 543 L HA -0.448 3.892 4.340 -0.000 0.000 0.247 543 L C 1.993 178.824 176.870 -0.064 0.000 1.123 543 L CA 3.075 57.962 54.840 0.078 0.000 0.824 543 L CB -1.112 41.075 42.059 0.213 0.000 0.987 543 L HN 1.052 nan 8.230 nan 0.000 0.426 544 D N -1.356 119.054 120.400 0.016 0.000 2.347 544 D HA -0.341 4.299 4.640 -0.000 0.000 0.189 544 D C 1.814 178.098 176.300 -0.025 0.000 1.020 544 D CA 2.670 56.672 54.000 0.004 0.000 0.875 544 D CB -0.741 40.079 40.800 0.034 0.000 0.928 544 D HN 0.791 nan 8.370 nan 0.000 0.454 545 Q N 0.020 119.804 119.800 -0.027 0.000 1.969 545 Q HA -0.031 4.309 4.340 -0.000 0.000 0.198 545 Q C 2.690 178.627 176.000 -0.105 0.000 0.978 545 Q CA 1.126 56.910 55.803 -0.033 0.000 0.830 545 Q CB -0.028 28.692 28.738 -0.030 0.000 0.896 545 Q HN 0.212 nan 8.270 nan 0.000 0.431 546 V N 1.655 121.437 119.914 -0.221 0.000 2.909 546 V HA -0.268 3.852 4.120 -0.000 0.000 0.265 546 V C 1.971 177.781 176.094 -0.474 0.000 1.128 546 V CA 1.361 63.392 62.300 -0.449 0.000 1.149 546 V CB -0.602 30.619 31.823 -1.003 0.000 0.725 546 V HN 0.316 nan 8.190 nan 0.000 0.511 547 L N -0.959 120.065 121.223 -0.331 0.000 2.189 547 L HA 0.032 4.372 4.340 -0.000 0.000 0.199 547 L C 2.395 179.141 176.870 -0.208 0.000 1.074 547 L CA 0.943 55.607 54.840 -0.294 0.000 0.783 547 L CB -0.629 41.321 42.059 -0.181 0.000 0.955 547 L HN 0.261 nan 8.230 nan 0.000 0.460 548 N N 0.241 118.899 118.700 -0.070 0.000 2.149 548 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 548 N C 1.890 177.382 175.510 -0.029 0.000 1.019 548 N CA 1.445 54.508 53.050 0.021 0.000 0.857 548 N CB -0.118 38.440 38.487 0.118 0.000 0.997 548 N HN 0.312 nan 8.380 nan 0.000 0.426 549 M N 0.579 120.169 119.600 -0.016 0.000 2.108 549 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 549 M C 2.137 178.350 176.300 -0.143 0.000 1.066 549 M CA 1.248 56.532 55.300 -0.028 0.000 1.107 549 M CB -0.347 32.254 32.600 0.001 0.000 1.356 549 M HN 0.098 nan 8.290 nan 0.000 0.406 550 L N -1.399 119.607 121.223 -0.361 0.000 2.042 550 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 550 L C 2.588 179.179 176.870 -0.465 0.000 1.076 550 L CA 1.342 55.747 54.840 -0.724 0.000 0.749 550 L CB -0.886 40.303 42.059 -1.450 0.000 0.893 550 L HN 0.250 nan 8.230 nan 0.000 0.432 551 Y N -0.527 119.544 120.300 -0.383 0.000 2.256 551 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 551 Y C 2.071 177.967 175.900 -0.005 0.000 1.155 551 Y CA 1.056 59.087 58.100 -0.115 0.000 1.203 551 Y CB -0.495 37.938 38.460 -0.044 0.000 0.980 551 Y HN 0.118 nan 8.280 nan 0.000 0.530 552 W N -0.113 120.998 121.300 -0.314 0.000 2.425 552 W HA 0.004 4.664 4.660 -0.000 0.000 0.277 552 W C 0.559 176.936 176.519 -0.237 0.000 1.231 552 W CA 1.013 58.142 57.345 -0.360 0.000 1.248 552 W CB -0.720 28.524 29.460 -0.361 0.000 1.117 552 W HN -0.350 nan 8.180 nan 0.000 0.568 553 V N 4.585 124.516 119.914 0.028 0.000 2.397 553 V HA -0.022 4.098 4.120 -0.000 0.000 0.262 553 V C -0.675 175.436 176.094 0.028 0.000 1.047 553 V CA -0.912 61.411 62.300 0.038 0.000 1.003 553 V CB 0.471 32.333 31.823 0.066 0.000 1.037 553 V HN -0.085 nan 8.190 nan 0.000 0.480 554 P HA -0.165 nan 4.420 nan 0.000 0.216 554 P C 0.479 177.801 177.300 0.036 0.000 1.150 554 P CA 1.308 64.376 63.100 -0.055 0.000 0.843 554 P CB 0.350 32.002 31.700 -0.079 0.000 0.787 555 D N -1.481 118.962 120.400 0.071 0.000 2.561 555 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 555 D C -0.028 176.364 176.300 0.153 0.000 1.198 555 D CA -0.303 53.746 54.000 0.082 0.000 0.826 555 D CB -0.591 40.242 40.800 0.055 0.000 0.992 555 D HN 0.204 nan 8.370 nan 0.000 0.490 556 W N 3.793 125.095 121.300 0.003 0.000 2.368 556 W HA 0.029 4.689 4.660 -0.000 0.000 0.316 556 W C 1.099 177.633 176.519 0.025 0.000 1.375 556 W CA -1.096 56.262 57.345 0.021 0.000 1.261 556 W CB 0.611 30.098 29.460 0.045 0.000 1.298 556 W HN -0.001 nan 8.180 nan 0.000 0.539 557 D N 3.503 123.642 120.400 -0.436 0.000 2.403 557 D HA -0.069 4.571 4.640 -0.000 0.000 0.227 557 D C 1.482 177.274 176.300 -0.847 0.000 0.995 557 D CA 0.910 54.623 54.000 -0.479 0.000 0.928 557 D CB -0.599 40.032 40.800 -0.282 0.000 0.887 557 D HN 0.771 nan 8.370 nan 0.000 0.529 558 G N -0.298 107.369 108.800 -1.889 0.000 2.225 558 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.264 558 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.264 558 G C -0.063 174.023 174.900 -1.356 0.000 1.060 558 G CA 0.154 43.988 45.100 -2.110 0.000 0.833 558 G HN 0.401 nan 8.290 nan 0.000 0.498 559 V N 2.432 121.697 119.914 -1.083 0.000 2.327 559 V HA 0.323 4.443 4.120 -0.000 0.000 0.272 559 V C 0.966 177.306 176.094 0.410 0.000 1.019 559 V CA -0.810 61.409 62.300 -0.136 0.000 0.814 559 V CB 0.938 32.698 31.823 -0.106 0.000 1.040 559 V HN 0.522 nan 8.190 nan 0.000 0.440 560 I N 4.130 125.043 120.570 0.571 0.000 2.792 560 I HA 0.172 4.341 4.170 -0.000 0.000 0.284 560 I C -1.542 174.764 176.117 0.316 0.000 1.166 560 I CA -0.970 60.597 61.300 0.446 0.000 1.375 560 I CB -0.169 38.007 38.000 0.295 0.000 1.421 560 I HN 0.353 nan 8.210 nan 0.000 0.544 561 P HA 0.083 nan 4.420 nan 0.000 0.271 561 P C -0.029 177.531 177.300 0.433 0.000 1.216 561 P CA -0.144 63.137 63.100 0.302 0.000 0.771 561 P CB 0.676 32.535 31.700 0.263 0.000 0.864 562 T N 2.182 116.905 114.554 0.282 0.000 2.866 562 T HA 0.093 4.443 4.350 -0.000 0.000 0.293 562 T C -2.176 172.599 174.700 0.126 0.000 1.005 562 T CA -1.119 61.104 62.100 0.205 0.000 1.162 562 T CB -1.160 67.767 68.868 0.098 0.000 0.968 562 T HN 0.307 nan 8.240 nan 0.000 0.530 563 P HA 0.195 nan 4.420 nan 0.000 0.265 563 P C 0.670 177.714 177.300 -0.427 0.000 1.187 563 P CA -0.169 62.414 63.100 -0.862 0.000 0.766 563 P CB 0.312 31.370 31.700 -1.070 0.000 0.820 564 A N 3.936 126.517 122.820 -0.399 0.000 1.968 564 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 564 A C 0.953 178.459 177.584 -0.130 0.000 1.169 564 A CA 1.188 53.122 52.037 -0.173 0.000 0.638 564 A CB -0.472 18.450 19.000 -0.132 0.000 0.812 564 A HN 0.520 nan 8.150 nan 0.000 0.446 565 I N -0.234 120.229 120.570 -0.178 0.000 2.433 565 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 565 I C 0.231 176.236 176.117 -0.187 0.000 1.001 565 I CA -0.262 60.978 61.300 -0.101 0.000 1.119 565 I CB 1.928 39.938 38.000 0.018 0.000 1.289 565 I HN 0.203 nan 8.210 nan 0.000 0.438 566 I N 4.290 124.786 120.570 -0.123 0.000 4.033 566 I HA -0.005 4.165 4.170 -0.000 0.000 0.296 566 I C 1.828 177.903 176.117 -0.069 0.000 1.210 566 I CA -0.171 61.060 61.300 -0.114 0.000 1.341 566 I CB -0.259 37.689 38.000 -0.086 0.000 1.369 566 I HN 0.524 nan 8.210 nan 0.000 0.453 567 K N 3.218 123.588 120.400 -0.051 0.000 2.471 567 K HA -0.220 4.100 4.320 -0.000 0.000 0.228 567 K C -0.765 175.816 176.600 -0.032 0.000 0.710 567 K CA 1.990 58.256 56.287 -0.036 0.000 0.900 567 K CB -2.718 29.763 32.500 -0.032 0.000 0.385 567 K HN 0.185 nan 8.250 nan 0.000 0.972 568 P HA -0.083 nan 4.420 nan 0.000 0.215 568 P C -0.113 177.174 177.300 -0.022 0.000 1.157 568 P CA 1.307 64.391 63.100 -0.025 0.000 0.856 568 P CB 0.209 31.893 31.700 -0.027 0.000 0.786 569 K N 0.776 121.158 120.400 -0.031 0.000 2.397 569 K HA 0.360 4.680 4.320 -0.000 0.000 0.253 569 K C -2.733 173.836 176.600 -0.053 0.000 0.932 569 K CA -2.645 53.629 56.287 -0.020 0.000 0.795 569 K CB 2.458 34.955 32.500 -0.005 0.000 1.159 569 K HN -0.129 nan 8.250 nan 0.000 0.424 570 P HA 0.113 nan 4.420 nan 0.000 0.276 570 P C -1.152 175.960 177.300 -0.315 0.000 1.264 570 P CA -0.313 62.647 63.100 -0.233 0.000 0.769 570 P CB 0.673 32.276 31.700 -0.162 0.000 0.840 571 L N 4.406 125.376 121.223 -0.421 0.000 2.309 571 L HA 0.647 4.987 4.340 -0.000 0.000 0.261 571 L C -0.105 176.515 176.870 -0.418 0.000 1.021 571 L CA -0.508 54.243 54.840 -0.149 0.000 0.823 571 L CB 1.577 43.771 42.059 0.225 0.000 1.366 571 L HN 0.429 nan 8.230 nan 0.000 0.423 572 W N -0.382 120.978 121.300 0.100 0.000 2.962 572 W HA 0.652 5.312 4.660 -0.000 0.000 0.341 572 W C -0.543 175.877 176.519 -0.165 0.000 1.155 572 W CA -0.730 56.600 57.345 -0.025 0.000 1.165 572 W CB 2.190 31.641 29.460 -0.016 0.000 1.435 572 W HN 0.513 nan 8.180 nan 0.000 0.546 573 S N -0.651 115.007 115.700 -0.071 0.000 2.621 573 S HA 0.581 5.051 4.470 -0.000 0.000 0.302 573 S C 0.753 175.255 174.600 -0.164 0.000 1.093 573 S CA -0.040 57.977 58.200 -0.305 0.000 1.017 573 S CB 1.807 64.689 63.200 -0.530 0.000 1.077 573 S HN 0.646 nan 8.310 nan 0.000 0.517 574 G N 1.600 110.264 108.800 -0.226 0.000 2.514 574 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 574 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 574 G C 1.183 175.951 174.900 -0.221 0.000 1.198 574 G CA 1.029 45.951 45.100 -0.297 0.000 0.780 574 G HN 0.804 nan 8.290 nan 0.000 0.565 575 K N -0.058 120.224 120.400 -0.196 0.000 2.077 575 K HA -0.261 4.059 4.320 -0.000 0.000 0.213 575 K C 2.613 179.154 176.600 -0.099 0.000 1.051 575 K CA 1.776 57.978 56.287 -0.142 0.000 0.929 575 K CB -0.295 32.133 32.500 -0.120 0.000 0.715 575 K HN 0.409 nan 8.250 nan 0.000 0.451 576 Q N 0.448 120.201 119.800 -0.079 0.000 2.030 576 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 576 Q C 2.300 178.304 176.000 0.007 0.000 0.986 576 Q CA 2.097 57.898 55.803 -0.004 0.000 0.843 576 Q CB -0.145 28.634 28.738 0.069 0.000 0.904 576 Q HN 0.529 nan 8.270 nan 0.000 0.420 577 I N -2.232 118.320 120.570 -0.030 0.000 2.400 577 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 577 I C 2.249 178.320 176.117 -0.077 0.000 1.109 577 I CA 0.425 61.688 61.300 -0.062 0.000 1.425 577 I CB -0.513 37.418 38.000 -0.115 0.000 1.094 577 I HN 0.104 nan 8.210 nan 0.000 0.425 578 L N 1.739 122.893 121.223 -0.116 0.000 2.270 578 L HA -0.210 4.130 4.340 -0.000 0.000 0.217 578 L C 2.328 179.154 176.870 -0.074 0.000 1.107 578 L CA 1.846 56.616 54.840 -0.117 0.000 0.772 578 L CB -0.627 41.336 42.059 -0.160 0.000 0.902 578 L HN 0.264 nan 8.230 nan 0.000 0.439 579 S N -1.370 114.298 115.700 -0.054 0.000 2.402 579 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 579 S C 1.894 176.496 174.600 0.003 0.000 1.021 579 S CA 1.157 59.340 58.200 -0.028 0.000 0.974 579 S CB -0.370 62.821 63.200 -0.014 0.000 0.800 579 S HN 0.402 nan 8.310 nan 0.000 0.484 580 V N 2.116 122.040 119.914 0.017 0.000 2.546 580 V HA -0.238 3.882 4.120 -0.000 0.000 0.254 580 V C 2.530 178.661 176.094 0.061 0.000 1.076 580 V CA 1.673 64.012 62.300 0.065 0.000 1.087 580 V CB -1.299 30.560 31.823 0.061 0.000 0.674 580 V HN 0.556 nan 8.190 nan 0.000 0.470 581 A N -0.432 122.401 122.820 0.022 0.000 2.016 581 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 581 A C 1.246 178.834 177.584 0.007 0.000 1.162 581 A CA 0.489 52.537 52.037 0.018 0.000 0.662 581 A CB -0.318 18.679 19.000 -0.005 0.000 0.812 581 A HN 0.513 nan 8.150 nan 0.000 0.450 582 I N 2.864 123.431 120.570 -0.005 0.000 2.363 582 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 582 I C -2.079 174.043 176.117 0.009 0.000 1.075 582 I CA -1.960 59.333 61.300 -0.011 0.000 1.333 582 I CB 0.932 38.915 38.000 -0.027 0.000 1.415 582 I HN 0.165 nan 8.210 nan 0.000 0.502 583 P HA 0.019 nan 4.420 nan 0.000 0.272 583 P C -0.919 176.395 177.300 0.024 0.000 1.223 583 P CA -0.342 62.772 63.100 0.023 0.000 0.784 583 P CB 0.524 32.237 31.700 0.022 0.000 0.923 584 N N 0.639 119.356 118.700 0.028 0.000 2.492 584 N HA 0.235 4.975 4.740 -0.000 0.000 0.262 584 N C 1.525 177.058 175.510 0.039 0.000 1.202 584 N CA 1.002 54.071 53.050 0.032 0.000 0.926 584 N CB 0.157 38.661 38.487 0.028 0.000 1.078 584 N HN 0.817 nan 8.380 nan 0.000 0.454 585 G N 0.492 109.325 108.800 0.055 0.000 2.284 585 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 585 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 585 G C 0.280 175.239 174.900 0.098 0.000 0.998 585 G CA -0.496 44.648 45.100 0.073 0.000 0.651 585 G HN 0.447 nan 8.290 nan 0.000 0.489 586 I N 0.992 121.608 120.570 0.077 0.000 3.327 586 I HA 0.399 4.569 4.170 -0.000 0.000 0.280 586 I C 0.637 176.849 176.117 0.158 0.000 1.207 586 I CA 0.413 61.763 61.300 0.082 0.000 1.280 586 I CB 0.369 38.388 38.000 0.032 0.000 1.417 586 I HN 0.308 nan 8.210 nan 0.000 0.639 587 H N 2.323 121.405 119.070 0.020 0.000 3.629 587 H HA 0.297 4.853 4.556 -0.000 0.000 0.402 587 H C -2.067 173.275 175.328 0.023 0.000 1.713 587 H CA -0.526 55.540 56.048 0.030 0.000 1.641 587 H CB 0.910 30.700 29.762 0.047 0.000 2.619 587 H HN 0.318 nan 8.280 nan 0.000 0.346 588 L N 3.817 125.066 121.223 0.044 0.000 2.386 588 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 588 L C -0.885 176.007 176.870 0.036 0.000 0.993 588 L CA -0.190 54.681 54.840 0.051 0.000 0.819 588 L CB 2.007 44.058 42.059 -0.013 0.000 1.294 588 L HN 0.610 nan 8.230 nan 0.000 0.414 589 Q N 3.841 123.698 119.800 0.095 0.000 2.285 589 Q HA 0.445 4.785 4.340 -0.000 0.000 0.269 589 Q C -0.444 175.657 176.000 0.169 0.000 1.030 589 Q CA -0.509 55.385 55.803 0.151 0.000 0.788 589 Q CB 3.131 32.006 28.738 0.229 0.000 1.266 589 Q HN 0.707 nan 8.270 nan 0.000 0.438 590 R N 1.906 122.529 120.500 0.205 0.000 1.850 590 R HA 0.331 4.671 4.340 -0.000 0.000 0.152 590 R C -0.826 175.740 176.300 0.444 0.000 2.001 590 R CA 0.287 56.509 56.100 0.203 0.000 1.578 590 R CB 0.747 31.069 30.300 0.036 0.000 1.261 590 R HN 0.583 nan 8.270 nan 0.000 0.478 591 F N 1.714 121.685 119.950 0.035 0.000 2.201 591 F HA -0.170 4.357 4.527 -0.000 0.000 0.511 591 F C 0.157 175.983 175.800 0.043 0.000 1.272 591 F CA 0.187 58.227 58.000 0.067 0.000 1.637 591 F CB -1.043 37.996 39.000 0.066 0.000 2.599 591 F HN 0.423 nan 8.300 nan 0.000 0.730 592 D N 1.446 121.908 120.400 0.103 0.000 2.107 592 D HA -0.019 4.621 4.640 -0.000 0.000 0.204 592 D C 1.425 177.776 176.300 0.085 0.000 0.978 592 D CA 2.075 56.121 54.000 0.076 0.000 0.852 592 D CB 0.348 41.169 40.800 0.036 0.000 1.008 592 D HN 0.778 nan 8.370 nan 0.000 0.458 593 E N -1.113 119.130 120.200 0.072 0.000 3.542 593 E HA 0.194 4.544 4.350 -0.000 0.000 0.228 593 E C 1.334 177.977 176.600 0.071 0.000 1.260 593 E CA 0.056 56.499 56.400 0.072 0.000 1.344 593 E CB -0.294 29.435 29.700 0.049 0.000 2.701 593 E HN 0.045 nan 8.360 nan 0.000 0.629 594 G N 2.490 111.313 108.800 0.039 0.000 3.318 594 G HA2 0.008 3.968 3.960 -0.000 0.000 0.230 594 G HA3 0.008 3.968 3.960 -0.000 0.000 0.230 594 G C -0.021 174.873 174.900 -0.010 0.000 1.317 594 G CA 0.196 45.310 45.100 0.023 0.000 1.197 594 G HN 0.025 nan 8.290 nan 0.000 0.514 595 T N 1.007 115.550 114.554 -0.018 0.000 2.853 595 T HA 0.356 4.706 4.350 -0.000 0.000 0.298 595 T C 1.080 175.688 174.700 -0.154 0.000 0.978 595 T CA 0.704 62.687 62.100 -0.194 0.000 1.152 595 T CB 0.992 69.580 68.868 -0.467 0.000 0.914 595 T HN 0.328 nan 8.240 nan 0.000 0.539 596 T N -0.038 114.383 114.554 -0.222 0.000 3.794 596 T HA 0.314 4.664 4.350 -0.000 0.000 0.300 596 T C 0.679 175.275 174.700 -0.173 0.000 0.961 596 T CA -0.664 61.380 62.100 -0.094 0.000 1.025 596 T CB -0.620 68.210 68.868 -0.062 0.000 1.175 596 T HN 0.384 nan 8.240 nan 0.000 0.474 597 L N -0.492 120.549 121.223 -0.304 0.000 4.739 597 L HA -0.163 4.177 4.340 -0.000 0.000 0.437 597 L C 0.732 177.270 176.870 -0.552 0.000 1.117 597 L CA 1.419 56.047 54.840 -0.354 0.000 0.970 597 L CB -1.505 40.520 42.059 -0.057 0.000 1.965 597 L HN 0.665 nan 8.230 nan 0.000 0.872 598 L N -0.482 120.421 121.223 -0.534 0.000 3.443 598 L HA 0.189 4.529 4.340 -0.000 0.000 0.358 598 L C 0.694 177.367 176.870 -0.329 0.000 1.338 598 L CA 0.221 54.813 54.840 -0.413 0.000 0.905 598 L CB 0.435 42.362 42.059 -0.220 0.000 1.317 598 L HN 0.232 nan 8.230 nan 0.000 0.602 599 S N 0.407 115.862 115.700 -0.409 0.000 3.225 599 S HA -0.005 4.465 4.470 -0.000 0.000 0.378 599 S C -1.104 173.428 174.600 -0.113 0.000 1.190 599 S CA -0.616 57.467 58.200 -0.195 0.000 1.104 599 S CB -0.045 63.104 63.200 -0.084 0.000 0.795 599 S HN 0.359 nan 8.310 nan 0.000 0.517 600 P HA -0.159 nan 4.420 nan 0.000 0.213 600 P C 0.860 178.151 177.300 -0.015 0.000 1.170 600 P CA 1.295 64.370 63.100 -0.042 0.000 0.893 600 P CB 0.023 31.705 31.700 -0.029 0.000 0.784 601 K N -0.703 119.694 120.400 -0.005 0.000 2.585 601 K HA -0.110 4.210 4.320 -0.000 0.000 0.194 601 K C 0.165 176.777 176.600 0.020 0.000 1.037 601 K CA 0.695 56.988 56.287 0.010 0.000 0.964 601 K CB -0.808 31.700 32.500 0.013 0.000 0.787 601 K HN 0.075 nan 8.250 nan 0.000 0.488 602 D N 0.761 121.176 120.400 0.026 0.000 2.716 602 D HA -0.142 4.498 4.640 -0.000 0.000 0.239 602 D C -0.502 175.839 176.300 0.067 0.000 1.125 602 D CA 0.355 54.394 54.000 0.065 0.000 0.681 602 D CB -1.123 39.704 40.800 0.046 0.000 1.070 602 D HN 0.224 nan 8.370 nan 0.000 0.432 603 N N -0.253 118.485 118.700 0.065 0.000 2.332 603 N HA 0.471 5.210 4.740 -0.000 0.000 0.282 603 N C 1.682 177.213 175.510 0.035 0.000 1.288 603 N CA 0.399 53.471 53.050 0.037 0.000 0.949 603 N CB -0.411 38.085 38.487 0.015 0.000 1.108 603 N HN 0.408 nan 8.380 nan 0.000 0.542 604 G N 0.252 109.043 108.800 -0.016 0.000 2.616 604 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.361 604 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.361 604 G C -0.090 174.694 174.900 -0.193 0.000 1.361 604 G CA 1.474 46.527 45.100 -0.078 0.000 0.969 604 G HN 0.713 nan 8.290 nan 0.000 0.528 605 M N -2.165 117.192 119.600 -0.406 0.000 2.624 605 M HA 0.633 5.113 4.480 -0.000 0.000 0.286 605 M C -2.319 173.547 176.300 -0.724 0.000 1.095 605 M CA -0.591 54.365 55.300 -0.573 0.000 0.865 605 M CB 1.683 34.119 32.600 -0.273 0.000 1.762 605 M HN 1.858 nan 8.290 nan 0.000 0.527 606 L N 5.165 125.880 121.223 -0.847 0.000 2.614 606 L HA 0.816 5.156 4.340 -0.000 0.000 0.264 606 L C -2.299 174.378 176.870 -0.322 0.000 0.940 606 L CA -0.163 54.357 54.840 -0.534 0.000 0.903 606 L CB 1.777 43.499 42.059 -0.562 0.000 1.306 606 L HN 0.755 nan 8.230 nan 0.000 0.410 607 I N 5.971 126.414 120.570 -0.212 0.000 2.465 607 I HA 0.538 4.708 4.170 -0.000 0.000 0.291 607 I C -0.659 175.315 176.117 -0.238 0.000 1.014 607 I CA -0.579 60.619 61.300 -0.170 0.000 1.093 607 I CB 2.024 39.949 38.000 -0.126 0.000 1.267 607 I HN 0.506 nan 8.210 nan 0.000 0.431 608 I N 4.508 124.957 120.570 -0.201 0.000 2.569 608 I HA 0.236 4.406 4.170 -0.000 0.000 0.296 608 I C 0.354 176.411 176.117 -0.100 0.000 1.028 608 I CA -0.221 60.913 61.300 -0.278 0.000 1.082 608 I CB 1.854 39.730 38.000 -0.207 0.000 1.264 608 I HN 0.715 nan 8.210 nan 0.000 0.429 609 D N 4.082 124.460 120.400 -0.036 0.000 3.041 609 D HA -0.231 4.408 4.640 -0.000 0.000 0.214 609 D C 0.852 177.167 176.300 0.024 0.000 1.153 609 D CA 2.011 56.037 54.000 0.043 0.000 0.972 609 D CB -0.574 40.258 40.800 0.053 0.000 1.126 609 D HN 1.159 nan 8.370 nan 0.000 0.400 610 G N -1.677 107.119 108.800 -0.007 0.000 2.138 610 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.193 610 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.193 610 G C -0.331 174.560 174.900 -0.014 0.000 0.998 610 G CA 0.210 45.306 45.100 -0.005 0.000 0.668 610 G HN 0.423 nan 8.290 nan 0.000 0.516 611 Q N -0.056 119.729 119.800 -0.025 0.000 2.353 611 Q HA 0.575 4.915 4.340 -0.000 0.000 0.268 611 Q C 0.546 176.519 176.000 -0.044 0.000 1.045 611 Q CA -0.838 54.953 55.803 -0.020 0.000 0.811 611 Q CB 1.882 30.622 28.738 0.003 0.000 1.305 611 Q HN 0.429 nan 8.270 nan 0.000 0.447 612 I N 2.898 123.437 120.570 -0.051 0.000 2.683 612 I HA -0.067 4.103 4.170 -0.000 0.000 0.286 612 I C 1.198 177.291 176.117 -0.040 0.000 1.175 612 I CA 0.478 61.734 61.300 -0.073 0.000 1.429 612 I CB 0.486 38.436 38.000 -0.084 0.000 1.371 612 I HN 0.611 nan 8.210 nan 0.000 0.569 613 I N 6.393 126.939 120.570 -0.040 0.000 3.616 613 I HA 0.151 4.321 4.170 -0.000 0.000 0.296 613 I C -0.208 176.041 176.117 0.220 0.000 1.226 613 I CA 0.287 61.634 61.300 0.078 0.000 1.394 613 I CB 0.514 38.593 38.000 0.131 0.000 1.171 613 I HN 0.580 nan 8.210 nan 0.000 0.442 614 F N -0.286 119.624 119.950 -0.067 0.000 2.804 614 F HA 0.605 5.132 4.527 -0.000 0.000 0.320 614 F C -0.686 175.065 175.800 -0.081 0.000 1.135 614 F CA -0.624 57.331 58.000 -0.075 0.000 0.947 614 F CB 0.170 39.124 39.000 -0.077 0.000 1.260 614 F HN -0.023 nan 8.300 nan 0.000 0.447 615 G N 1.305 110.171 108.800 0.110 0.000 2.788 615 G HA2 0.357 4.317 3.960 -0.000 0.000 0.686 615 G HA3 0.357 4.317 3.960 -0.000 0.000 0.686 615 G C -1.096 173.762 174.900 -0.070 0.000 1.147 615 G CA -0.650 44.438 45.100 -0.021 0.000 0.755 615 G HN 1.623 nan 8.290 nan 0.000 0.634 616 V N 0.533 120.419 119.914 -0.047 0.000 3.237 616 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 616 V C 1.200 177.243 176.094 -0.086 0.000 1.096 616 V CA -0.481 61.782 62.300 -0.063 0.000 1.130 616 V CB 1.341 33.138 31.823 -0.042 0.000 1.048 616 V HN 1.086 nan 8.190 nan 0.000 0.484 617 V N 2.762 122.620 119.914 -0.094 0.000 2.448 617 V HA 0.726 4.846 4.120 -0.000 0.000 0.295 617 V C -0.304 175.742 176.094 -0.080 0.000 1.025 617 V CA -0.290 61.952 62.300 -0.096 0.000 0.859 617 V CB 1.162 32.916 31.823 -0.115 0.000 0.988 617 V HN 1.195 nan 8.190 nan 0.000 0.431 618 E N 2.562 122.724 120.200 -0.063 0.000 2.394 618 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 618 E C 0.608 177.188 176.600 -0.033 0.000 1.065 618 E CA -0.970 55.401 56.400 -0.047 0.000 0.885 618 E CB 0.553 30.232 29.700 -0.036 0.000 1.659 618 E HN 0.154 nan 8.360 nan 0.000 0.462 619 K N 0.297 120.686 120.400 -0.018 0.000 2.127 619 K HA -0.314 4.006 4.320 -0.000 0.000 0.212 619 K C 1.405 178.003 176.600 -0.004 0.000 1.050 619 K CA 2.449 58.734 56.287 -0.003 0.000 0.929 619 K CB -0.181 32.324 32.500 0.008 0.000 0.715 619 K HN 0.410 nan 8.250 nan 0.000 0.457 620 K N -0.762 119.633 120.400 -0.008 0.000 1.985 620 K HA -0.100 4.219 4.320 -0.000 0.000 0.210 620 K C 2.189 178.780 176.600 -0.015 0.000 1.047 620 K CA 2.140 58.423 56.287 -0.008 0.000 0.932 620 K CB -0.286 32.209 32.500 -0.008 0.000 0.716 620 K HN 0.126 nan 8.250 nan 0.000 0.439 621 T N -0.130 114.405 114.554 -0.031 0.000 2.942 621 T HA -0.025 4.325 4.350 -0.000 0.000 0.265 621 T C 1.242 175.913 174.700 -0.047 0.000 1.062 621 T CA 0.857 62.930 62.100 -0.044 0.000 1.139 621 T CB 0.287 69.113 68.868 -0.070 0.000 0.883 621 T HN -0.012 nan 8.240 nan 0.000 0.468 622 V N 1.150 121.035 119.914 -0.049 0.000 2.967 622 V HA 0.571 4.691 4.120 -0.000 0.000 0.364 622 V C 0.408 176.475 176.094 -0.045 0.000 1.373 622 V CA -0.200 62.059 62.300 -0.068 0.000 1.193 622 V CB 0.057 31.822 31.823 -0.098 0.000 1.236 622 V HN 0.428 nan 8.190 nan 0.000 0.582 623 G N 0.069 108.865 108.800 -0.006 0.000 2.887 623 G HA2 0.400 4.360 3.960 -0.000 0.000 0.277 623 G HA3 0.400 4.360 3.960 -0.000 0.000 0.277 623 G C 0.538 175.474 174.900 0.060 0.000 1.346 623 G CA 0.263 45.382 45.100 0.032 0.000 1.058 623 G HN 0.604 nan 8.290 nan 0.000 0.535 624 S N -0.158 115.594 115.700 0.086 0.000 3.033 624 S HA 0.240 4.710 4.470 -0.000 0.000 0.258 624 S C 0.925 175.558 174.600 0.055 0.000 1.207 624 S CA 0.130 58.389 58.200 0.098 0.000 1.248 624 S CB -1.201 62.063 63.200 0.106 0.000 0.932 624 S HN 0.884 nan 8.310 nan 0.000 0.472 625 S N 1.045 116.765 115.700 0.034 0.000 2.634 625 S HA 0.328 4.798 4.470 -0.000 0.000 0.261 625 S C 1.089 175.654 174.600 -0.059 0.000 1.271 625 S CA -0.811 57.389 58.200 -0.001 0.000 0.985 625 S CB 0.398 63.598 63.200 0.001 0.000 0.968 625 S HN 0.394 nan 8.310 nan 0.000 0.568 626 N N 1.443 120.088 118.700 -0.092 0.000 2.048 626 N HA -0.022 4.718 4.740 -0.000 0.000 0.193 626 N C 1.495 176.883 175.510 -0.202 0.000 1.061 626 N CA 1.642 54.567 53.050 -0.207 0.000 0.849 626 N CB -1.009 37.400 38.487 -0.129 0.000 1.044 626 N HN 0.867 nan 8.380 nan 0.000 0.429 627 G N 0.405 109.186 108.800 -0.033 0.000 3.496 627 G HA2 0.335 4.295 3.960 -0.000 0.000 0.273 627 G HA3 0.335 4.295 3.960 -0.000 0.000 0.273 627 G C 0.456 175.408 174.900 0.086 0.000 1.279 627 G CA -0.209 44.938 45.100 0.079 0.000 1.041 627 G HN 0.313 nan 8.290 nan 0.000 0.539 628 G N -0.599 108.248 108.800 0.077 0.000 2.569 628 G HA2 0.286 4.245 3.960 -0.000 0.000 0.249 628 G HA3 0.286 4.245 3.960 -0.000 0.000 0.249 628 G C 1.091 176.034 174.900 0.071 0.000 1.216 628 G CA -0.683 44.452 45.100 0.059 0.000 0.845 628 G HN 0.164 nan 8.290 nan 0.000 0.568 629 L N 0.987 122.218 121.223 0.012 0.000 2.010 629 L HA -0.206 4.134 4.340 -0.000 0.000 0.219 629 L C 2.781 179.646 176.870 -0.008 0.000 1.077 629 L CA 1.833 56.664 54.840 -0.016 0.000 0.773 629 L CB -0.393 41.627 42.059 -0.066 0.000 0.892 629 L HN 0.647 nan 8.230 nan 0.000 0.436 630 I N -1.098 119.460 120.570 -0.020 0.000 2.099 630 I HA -0.396 3.774 4.170 -0.000 0.000 0.239 630 I C 2.537 178.714 176.117 0.099 0.000 1.066 630 I CA 1.713 63.014 61.300 0.002 0.000 1.324 630 I CB -0.765 37.254 38.000 0.031 0.000 1.037 630 I HN 0.403 nan 8.210 nan 0.000 0.401 631 H N 0.951 120.043 119.070 0.037 0.000 2.321 631 H HA -0.182 4.374 4.556 -0.000 0.000 0.295 631 H C 2.058 177.401 175.328 0.026 0.000 1.102 631 H CA 2.361 58.435 56.048 0.043 0.000 1.266 631 H CB -0.295 29.492 29.762 0.042 0.000 1.363 631 H HN 0.100 nan 8.280 nan 0.000 0.492 632 V N -0.663 119.261 119.914 0.016 0.000 2.270 632 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 632 V C 2.716 178.781 176.094 -0.049 0.000 1.043 632 V CA 1.460 63.733 62.300 -0.045 0.000 1.014 632 V CB -0.802 31.033 31.823 0.021 0.000 0.645 632 V HN 0.319 nan 8.190 nan 0.000 0.447 633 V N 0.443 120.347 119.914 -0.017 0.000 2.317 633 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 633 V C 2.595 178.680 176.094 -0.016 0.000 1.065 633 V CA 2.789 65.082 62.300 -0.011 0.000 1.049 633 V CB -1.333 30.484 31.823 -0.010 0.000 0.651 633 V HN 0.644 nan 8.190 nan 0.000 0.450 634 T N -0.507 114.037 114.554 -0.016 0.000 2.674 634 T HA -0.183 4.167 4.350 -0.000 0.000 0.265 634 T C 2.100 176.751 174.700 -0.081 0.000 1.039 634 T CA 1.325 63.413 62.100 -0.020 0.000 1.150 634 T CB -0.253 68.617 68.868 0.003 0.000 0.864 634 T HN 0.283 nan 8.240 nan 0.000 0.427 635 R N 0.804 121.209 120.500 -0.158 0.000 2.096 635 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 635 R C 2.490 178.718 176.300 -0.119 0.000 1.134 635 R CA 1.690 57.675 56.100 -0.191 0.000 0.917 635 R CB -0.825 29.320 30.300 -0.257 0.000 0.832 635 R HN 0.378 nan 8.270 nan 0.000 0.430 636 E N 0.745 120.896 120.200 -0.082 0.000 2.002 636 E HA -0.167 4.183 4.350 -0.000 0.000 0.205 636 E C 1.886 178.473 176.600 -0.022 0.000 1.020 636 E CA 1.634 58.011 56.400 -0.040 0.000 0.856 636 E CB -0.022 29.674 29.700 -0.007 0.000 0.788 636 E HN 0.007 nan 8.360 nan 0.000 0.477 637 K N -0.509 119.886 120.400 -0.008 0.000 2.148 637 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 637 K C 0.936 177.535 176.600 -0.002 0.000 1.050 637 K CA 1.070 57.358 56.287 0.003 0.000 0.942 637 K CB -0.098 32.409 32.500 0.012 0.000 0.724 637 K HN 0.338 nan 8.250 nan 0.000 0.446 638 G N -0.463 108.331 108.800 -0.010 0.000 2.346 638 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.294 638 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.294 638 G C -2.607 172.295 174.900 0.004 0.000 1.294 638 G CA -0.221 44.874 45.100 -0.008 0.000 0.962 638 G HN -0.134 nan 8.290 nan 0.000 0.508 639 P HA 0.060 nan 4.420 nan 0.000 0.213 639 P C 1.308 178.625 177.300 0.028 0.000 1.156 639 P CA 1.126 64.236 63.100 0.016 0.000 0.884 639 P CB 0.203 31.905 31.700 0.003 0.000 0.774 640 Q N 0.059 119.870 119.800 0.018 0.000 2.181 640 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 640 Q C 2.291 178.313 176.000 0.037 0.000 0.980 640 Q CA 1.238 57.054 55.803 0.021 0.000 0.862 640 Q CB -0.939 27.805 28.738 0.010 0.000 0.905 640 Q HN 0.153 nan 8.270 nan 0.000 0.429 641 V N 0.357 120.292 119.914 0.036 0.000 2.229 641 V HA -0.280 3.840 4.120 -0.000 0.000 0.243 641 V C 2.608 178.743 176.094 0.068 0.000 1.042 641 V CA 1.813 64.138 62.300 0.041 0.000 1.000 641 V CB -1.277 30.563 31.823 0.028 0.000 0.637 641 V HN 0.545 nan 8.190 nan 0.000 0.446 642 C N 1.197 120.546 119.300 0.081 0.000 2.413 642 C HA -0.136 4.324 4.460 -0.000 0.000 0.276 642 C C 3.081 178.224 174.990 0.254 0.000 1.248 642 C CA 0.845 59.942 59.018 0.132 0.000 1.742 642 C CB -1.398 26.427 27.740 0.143 0.000 2.017 642 C HN 0.589 nan 8.230 nan 0.000 0.481 643 A N 0.778 123.717 122.820 0.198 0.000 1.881 643 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 643 A C 2.329 180.049 177.584 0.226 0.000 1.215 643 A CA 2.536 54.684 52.037 0.184 0.000 0.648 643 A CB -1.041 17.997 19.000 0.064 0.000 0.832 643 A HN 0.797 nan 8.150 nan 0.000 0.455 644 K N -1.060 119.425 120.400 0.142 0.000 2.009 644 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 644 K C 1.937 178.621 176.600 0.140 0.000 1.049 644 K CA 1.550 57.905 56.287 0.114 0.000 0.929 644 K CB -0.393 32.147 32.500 0.066 0.000 0.714 644 K HN 0.352 nan 8.250 nan 0.000 0.440 645 L N 0.932 122.225 121.223 0.117 0.000 2.054 645 L HA -0.256 4.084 4.340 -0.000 0.000 0.220 645 L C 1.847 178.739 176.870 0.037 0.000 1.081 645 L CA 1.884 56.750 54.840 0.044 0.000 0.780 645 L CB -0.749 41.294 42.059 -0.026 0.000 0.893 645 L HN 0.187 nan 8.230 nan 0.000 0.438 646 F N 0.026 119.995 119.950 0.032 0.000 2.087 646 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 646 F C 2.448 178.275 175.800 0.045 0.000 1.100 646 F CA 2.021 60.044 58.000 0.040 0.000 1.226 646 F CB -1.328 37.700 39.000 0.046 0.000 0.983 646 F HN 0.256 nan 8.300 nan 0.000 0.479 647 G N -0.299 108.643 108.800 0.238 0.000 2.433 647 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 647 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 647 G C 1.602 176.570 174.900 0.113 0.000 1.186 647 G CA 1.027 46.217 45.100 0.150 0.000 0.779 647 G HN 0.260 nan 8.290 nan 0.000 0.543 648 N N 1.184 119.935 118.700 0.085 0.000 2.000 648 N HA -0.146 4.594 4.740 -0.000 0.000 0.198 648 N C 2.297 177.848 175.510 0.068 0.000 1.057 648 N CA 1.496 54.588 53.050 0.069 0.000 0.858 648 N CB -0.695 37.821 38.487 0.048 0.000 1.057 648 N HN 0.357 nan 8.380 nan 0.000 0.423 649 I N 1.628 122.214 120.570 0.026 0.000 2.121 649 I HA -0.391 3.779 4.170 -0.000 0.000 0.243 649 I C 2.586 178.729 176.117 0.042 0.000 1.047 649 I CA 1.599 62.897 61.300 -0.002 0.000 1.308 649 I CB -0.508 37.452 38.000 -0.066 0.000 1.015 649 I HN 0.257 nan 8.210 nan 0.000 0.410 650 Q N 0.803 120.652 119.800 0.083 0.000 1.948 650 Q HA -0.254 4.086 4.340 -0.000 0.000 0.205 650 Q C 2.263 178.366 176.000 0.171 0.000 0.992 650 Q CA 1.966 57.843 55.803 0.124 0.000 0.849 650 Q CB -0.172 28.658 28.738 0.153 0.000 0.918 650 Q HN 0.441 nan 8.270 nan 0.000 0.421 651 K N -0.143 120.390 120.400 0.222 0.000 2.127 651 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 651 K C 2.063 178.875 176.600 0.354 0.000 1.050 651 K CA 1.807 58.332 56.287 0.397 0.000 0.929 651 K CB -0.439 32.282 32.500 0.368 0.000 0.715 651 K HN 0.058 nan 8.250 nan 0.000 0.457 652 V N 0.790 120.831 119.914 0.211 0.000 2.232 652 V HA -0.221 3.899 4.120 -0.000 0.000 0.239 652 V C 2.303 178.465 176.094 0.114 0.000 1.040 652 V CA 1.533 63.914 62.300 0.136 0.000 0.996 652 V CB -0.340 31.517 31.823 0.058 0.000 0.638 652 V HN 0.091 nan 8.190 nan 0.000 0.453 653 V N 1.119 121.068 119.914 0.058 0.000 2.278 653 V HA -0.348 3.771 4.120 -0.000 0.000 0.251 653 V C 2.364 178.544 176.094 0.143 0.000 1.062 653 V CA 2.483 64.813 62.300 0.050 0.000 1.038 653 V CB -1.017 30.803 31.823 -0.005 0.000 0.646 653 V HN 0.601 nan 8.190 nan 0.000 0.447 654 N N -0.273 118.506 118.700 0.133 0.000 2.036 654 N HA -0.226 4.514 4.740 -0.000 0.000 0.195 654 N C 1.750 177.316 175.510 0.094 0.000 1.037 654 N CA 2.022 55.152 53.050 0.134 0.000 0.855 654 N CB -0.670 37.918 38.487 0.169 0.000 1.033 654 N HN 0.535 nan 8.380 nan 0.000 0.423 655 F N 0.331 120.169 119.950 -0.186 0.000 2.202 655 F HA -0.172 4.354 4.527 -0.000 0.000 0.301 655 F C 2.257 177.895 175.800 -0.271 0.000 1.082 655 F CA 1.149 58.873 58.000 -0.460 0.000 1.313 655 F CB -0.495 37.889 39.000 -1.026 0.000 1.024 655 F HN 0.166 nan 8.300 nan 0.000 0.495 656 W N 0.399 121.443 121.300 -0.425 0.000 2.452 656 W HA -0.115 4.545 4.660 -0.000 0.000 0.313 656 W C 2.199 178.560 176.519 -0.264 0.000 1.176 656 W CA 1.388 58.463 57.345 -0.449 0.000 1.350 656 W CB -0.771 28.541 29.460 -0.245 0.000 1.148 656 W HN 0.034 nan 8.180 nan 0.000 0.498 657 L N 1.536 122.921 121.223 0.269 0.000 2.263 657 L HA -0.174 4.166 4.340 -0.000 0.000 0.216 657 L C 2.082 178.906 176.870 -0.076 0.000 1.111 657 L CA 2.001 56.905 54.840 0.107 0.000 0.773 657 L CB -1.682 40.509 42.059 0.219 0.000 0.906 657 L HN 0.312 nan 8.230 nan 0.000 0.439 658 L N -0.835 120.342 121.223 -0.076 0.000 2.017 658 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 658 L C 2.342 179.165 176.870 -0.079 0.000 1.073 658 L CA 1.954 56.776 54.840 -0.031 0.000 0.745 658 L CB -0.909 41.177 42.059 0.045 0.000 0.894 658 L HN 0.372 nan 8.230 nan 0.000 0.432 659 H N -1.067 117.735 119.070 -0.446 0.000 2.372 659 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 659 H C 2.095 177.149 175.328 -0.458 0.000 1.065 659 H CA 1.473 57.253 56.048 -0.447 0.000 1.364 659 H CB -0.504 28.923 29.762 -0.559 0.000 1.406 659 H HN 0.439 nan 8.280 nan 0.000 0.521 660 N N 0.595 118.960 118.700 -0.558 0.000 2.381 660 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 660 N C 0.444 175.788 175.510 -0.276 0.000 1.025 660 N CA 0.827 53.522 53.050 -0.592 0.000 0.888 660 N CB 0.118 37.863 38.487 -1.236 0.000 0.965 660 N HN 0.494 nan 8.380 nan 0.000 0.438 661 G N -0.850 107.841 108.800 -0.181 0.000 2.955 661 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.604 661 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.604 661 G C -0.653 174.316 174.900 0.115 0.000 1.572 661 G CA 0.135 45.213 45.100 -0.037 0.000 1.016 661 G HN 0.412 nan 8.290 nan 0.000 0.569 662 F N 0.196 120.120 119.950 -0.044 0.000 2.741 662 F HA 0.743 5.270 4.527 -0.000 0.000 0.311 662 F C -0.031 175.765 175.800 -0.007 0.000 1.149 662 F CA 0.597 58.590 58.000 -0.011 0.000 0.930 662 F CB 1.428 40.439 39.000 0.019 0.000 1.312 662 F HN 1.678 nan 8.300 nan 0.000 0.450 663 S N 1.079 116.104 115.700 -1.124 0.000 2.655 663 S HA 0.728 5.198 4.470 -0.000 0.000 0.273 663 S C -1.804 172.335 174.600 -0.768 0.000 1.177 663 S CA 0.011 57.800 58.200 -0.686 0.000 0.918 663 S CB 1.250 64.262 63.200 -0.313 0.000 1.217 663 S HN 1.050 nan 8.310 nan 0.000 0.492 664 T N -0.135 114.202 114.554 -0.360 0.000 2.957 664 T HA 0.718 5.068 4.350 -0.000 0.000 0.336 664 T C -0.656 173.965 174.700 -0.132 0.000 1.462 664 T CA 0.117 62.076 62.100 -0.235 0.000 1.073 664 T CB 1.340 70.116 68.868 -0.153 0.000 1.319 664 T HN 1.473 nan 8.240 nan 0.000 0.485 665 G N 0.921 109.664 108.800 -0.095 0.000 2.646 665 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 665 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 665 G C 0.630 175.505 174.900 -0.042 0.000 1.445 665 G CA -0.610 44.453 45.100 -0.062 0.000 0.814 665 G HN 0.740 nan 8.290 nan 0.000 0.495 666 I N -0.073 120.480 120.570 -0.028 0.000 2.354 666 I HA -0.159 4.011 4.170 -0.000 0.000 0.258 666 I C 2.429 178.536 176.117 -0.016 0.000 1.111 666 I CA 1.927 63.218 61.300 -0.016 0.000 1.390 666 I CB -1.209 36.784 38.000 -0.013 0.000 1.072 666 I HN 0.569 nan 8.210 nan 0.000 0.441 667 G N 0.417 109.202 108.800 -0.025 0.000 2.432 667 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 667 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 667 G C 1.284 176.172 174.900 -0.020 0.000 1.135 667 G CA 0.860 45.946 45.100 -0.022 0.000 0.767 667 G HN 0.496 nan 8.290 nan 0.000 0.550 668 D N 0.249 120.635 120.400 -0.024 0.000 2.363 668 D HA -0.044 4.595 4.640 -0.000 0.000 0.220 668 D C 1.936 178.230 176.300 -0.009 0.000 0.994 668 D CA 1.287 55.278 54.000 -0.016 0.000 0.890 668 D CB 0.091 40.879 40.800 -0.021 0.000 0.906 668 D HN 0.488 nan 8.370 nan 0.000 0.530 669 T N -1.407 113.143 114.554 -0.007 0.000 3.176 669 T HA 0.316 4.666 4.350 -0.000 0.000 0.263 669 T C 0.745 175.444 174.700 -0.003 0.000 1.021 669 T CA -0.317 61.783 62.100 0.000 0.000 0.905 669 T CB 0.032 68.909 68.868 0.015 0.000 1.057 669 T HN -0.033 nan 8.240 nan 0.000 0.558 670 I N 1.384 121.950 120.570 -0.007 0.000 2.433 670 I HA 0.707 4.877 4.170 -0.000 0.000 0.292 670 I C 0.046 176.157 176.117 -0.010 0.000 1.001 670 I CA -1.572 59.724 61.300 -0.007 0.000 1.119 670 I CB 1.779 39.776 38.000 -0.006 0.000 1.289 670 I HN 0.089 nan 8.210 nan 0.000 0.438 671 A N 3.710 126.523 122.820 -0.012 0.000 2.310 671 A HA 0.320 4.640 4.320 -0.000 0.000 0.299 671 A C -0.258 177.321 177.584 -0.007 0.000 1.147 671 A CA -0.431 51.599 52.037 -0.012 0.000 0.818 671 A CB 0.580 19.570 19.000 -0.017 0.000 1.096 671 A HN 0.815 nan 8.150 nan 0.000 0.495 672 D N 1.984 122.380 120.400 -0.006 0.000 2.730 672 D HA 0.117 4.757 4.640 -0.000 0.000 0.225 672 D C 1.659 177.959 176.300 -0.001 0.000 1.107 672 D CA 1.685 55.683 54.000 -0.003 0.000 0.837 672 D CB 0.563 41.362 40.800 -0.001 0.000 1.171 672 D HN 0.639 nan 8.370 nan 0.000 0.498 673 G N 4.565 113.365 108.800 -0.001 0.000 2.808 673 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.225 673 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.225 673 G C -0.592 174.310 174.900 0.002 0.000 1.210 673 G CA 1.236 46.337 45.100 0.001 0.000 0.777 673 G HN 0.690 nan 8.290 nan 0.000 0.640 674 P HA 0.003 nan 4.420 nan 0.000 0.218 674 P C 1.748 179.050 177.300 0.005 0.000 1.152 674 P CA 1.732 64.835 63.100 0.004 0.000 0.826 674 P CB -0.333 31.370 31.700 0.005 0.000 0.790 675 T N 0.037 114.593 114.554 0.003 0.000 2.822 675 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 675 T C 1.898 176.599 174.700 0.002 0.000 1.064 675 T CA 1.203 63.304 62.100 0.002 0.000 1.131 675 T CB -0.431 68.436 68.868 -0.001 0.000 0.858 675 T HN 0.008 nan 8.240 nan 0.000 0.483 676 M N 0.554 120.155 119.600 0.002 0.000 2.064 676 M HA 0.004 4.484 4.480 -0.000 0.000 0.260 676 M C 2.505 178.809 176.300 0.008 0.000 1.073 676 M CA 1.394 56.696 55.300 0.002 0.000 1.124 676 M CB -0.945 31.656 32.600 0.002 0.000 1.326 676 M HN 0.166 nan 8.290 nan 0.000 0.410 677 R N 0.859 121.364 120.500 0.009 0.000 2.096 677 R HA -0.229 4.111 4.340 -0.000 0.000 0.240 677 R C 1.914 178.222 176.300 0.013 0.000 1.139 677 R CA 2.215 58.322 56.100 0.012 0.000 0.952 677 R CB -0.541 29.765 30.300 0.010 0.000 0.854 677 R HN 0.485 nan 8.270 nan 0.000 0.436 678 E N 0.145 120.352 120.200 0.012 0.000 2.187 678 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 678 E C 1.910 178.521 176.600 0.017 0.000 1.004 678 E CA 1.720 58.128 56.400 0.013 0.000 0.813 678 E CB -0.085 29.622 29.700 0.011 0.000 0.736 678 E HN 0.540 nan 8.360 nan 0.000 0.468 679 I N -0.232 120.349 120.570 0.018 0.000 2.494 679 I HA -0.136 4.034 4.170 -0.000 0.000 0.250 679 I C 2.247 178.384 176.117 0.033 0.000 1.112 679 I CA 0.924 62.239 61.300 0.025 0.000 1.438 679 I CB -0.289 37.722 38.000 0.018 0.000 1.111 679 I HN 0.045 nan 8.210 nan 0.000 0.431 680 T N 1.291 115.863 114.554 0.029 0.000 2.849 680 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 680 T C 1.569 176.291 174.700 0.037 0.000 1.066 680 T CA 1.737 63.859 62.100 0.036 0.000 1.130 680 T CB -0.363 68.522 68.868 0.029 0.000 0.864 680 T HN 0.613 nan 8.240 nan 0.000 0.481 681 E N 0.256 120.473 120.200 0.028 0.000 2.340 681 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 681 E C 1.817 178.430 176.600 0.021 0.000 0.996 681 E CA 0.611 57.024 56.400 0.022 0.000 0.869 681 E CB -0.418 29.291 29.700 0.015 0.000 0.835 681 E HN 0.229 nan 8.360 nan 0.000 0.493 682 T N 1.527 116.098 114.554 0.027 0.000 2.867 682 T HA 0.003 4.353 4.350 -0.000 0.000 0.268 682 T C 1.828 176.550 174.700 0.036 0.000 1.057 682 T CA 0.931 63.048 62.100 0.028 0.000 1.136 682 T CB -0.094 68.796 68.868 0.037 0.000 0.874 682 T HN 0.170 nan 8.240 nan 0.000 0.466 683 I N 1.133 121.738 120.570 0.057 0.000 2.188 683 I HA -0.031 4.139 4.170 -0.000 0.000 0.237 683 I C 2.970 179.112 176.117 0.042 0.000 1.073 683 I CA 0.818 62.166 61.300 0.081 0.000 1.359 683 I CB -0.743 37.340 38.000 0.139 0.000 1.083 683 I HN 0.126 nan 8.210 nan 0.000 0.412 684 A N 1.845 124.691 122.820 0.043 0.000 1.923 684 A HA -0.357 3.963 4.320 -0.000 0.000 0.222 684 A C 2.230 179.817 177.584 0.004 0.000 1.258 684 A CA 2.911 54.965 52.037 0.027 0.000 0.670 684 A CB -1.221 17.794 19.000 0.026 0.000 0.834 684 A HN 0.712 nan 8.150 nan 0.000 0.470 685 E N -0.403 119.794 120.200 -0.006 0.000 2.106 685 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 685 E C 2.018 178.586 176.600 -0.054 0.000 0.984 685 E CA 1.143 57.526 56.400 -0.028 0.000 0.806 685 E CB -0.505 29.176 29.700 -0.031 0.000 0.750 685 E HN 0.539 nan 8.360 nan 0.000 0.458 686 A N 1.619 124.408 122.820 -0.052 0.000 1.972 686 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 686 A C 2.101 179.642 177.584 -0.071 0.000 1.169 686 A CA 1.553 53.542 52.037 -0.080 0.000 0.635 686 A CB -0.384 18.585 19.000 -0.052 0.000 0.810 686 A HN 0.167 nan 8.150 nan 0.000 0.446 687 K N -0.499 119.871 120.400 -0.050 0.000 2.057 687 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 687 K C 2.161 178.755 176.600 -0.010 0.000 1.050 687 K CA 1.579 57.844 56.287 -0.037 0.000 0.935 687 K CB -0.141 32.355 32.500 -0.007 0.000 0.715 687 K HN 0.447 nan 8.250 nan 0.000 0.439 688 K N 1.401 121.792 120.400 -0.016 0.000 2.211 688 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 688 K C 1.938 178.527 176.600 -0.018 0.000 1.050 688 K CA 1.126 57.408 56.287 -0.009 0.000 0.945 688 K CB 0.121 32.612 32.500 -0.015 0.000 0.732 688 K HN -0.057 nan 8.250 nan 0.000 0.451 689 K N 0.098 120.457 120.400 -0.068 0.000 2.283 689 K HA -0.067 4.252 4.320 -0.000 0.000 0.202 689 K C 1.663 178.282 176.600 0.031 0.000 1.048 689 K CA 0.617 56.819 56.287 -0.141 0.000 0.948 689 K CB 0.266 32.524 32.500 -0.404 0.000 0.742 689 K HN -0.019 nan 8.250 nan 0.000 0.458 690 V N 0.842 120.811 119.914 0.092 0.000 2.379 690 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 690 V C 2.022 178.212 176.094 0.160 0.000 1.035 690 V CA 1.102 63.507 62.300 0.176 0.000 1.035 690 V CB -0.164 31.715 31.823 0.093 0.000 0.673 690 V HN 0.334 nan 8.190 nan 0.000 0.457 691 L N 0.642 121.923 121.223 0.096 0.000 2.021 691 L HA -0.260 4.080 4.340 -0.000 0.000 0.215 691 L C 1.885 178.808 176.870 0.090 0.000 1.074 691 L CA 2.519 57.410 54.840 0.084 0.000 0.760 691 L CB -0.862 41.226 42.059 0.048 0.000 0.889 691 L HN 0.380 nan 8.230 nan 0.000 0.433 692 D N -0.589 119.859 120.400 0.080 0.000 2.106 692 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 692 D C 2.174 178.544 176.300 0.117 0.000 0.988 692 D CA 2.105 56.149 54.000 0.074 0.000 0.845 692 D CB -0.609 40.220 40.800 0.049 0.000 0.990 692 D HN 0.214 nan 8.370 nan 0.000 0.448 693 V N 0.704 120.736 119.914 0.197 0.000 2.794 693 V HA -0.246 3.873 4.120 -0.000 0.000 0.260 693 V C 2.176 178.442 176.094 0.288 0.000 1.103 693 V CA 1.884 64.347 62.300 0.271 0.000 1.125 693 V CB -0.959 31.110 31.823 0.410 0.000 0.702 693 V HN 0.256 nan 8.190 nan 0.000 0.494 694 T N -0.545 114.168 114.554 0.264 0.000 2.770 694 T HA -0.112 4.238 4.350 -0.000 0.000 0.258 694 T C 1.955 176.604 174.700 -0.085 0.000 1.039 694 T CA 1.206 63.385 62.100 0.131 0.000 1.143 694 T CB -0.122 68.875 68.868 0.216 0.000 0.866 694 T HN 0.451 nan 8.240 nan 0.000 0.428 695 K N 0.859 121.251 120.400 -0.014 0.000 2.155 695 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 695 K C 2.293 178.860 176.600 -0.056 0.000 1.052 695 K CA 0.778 57.038 56.287 -0.044 0.000 0.948 695 K CB -0.023 32.471 32.500 -0.010 0.000 0.728 695 K HN 0.388 nan 8.250 nan 0.000 0.448 696 E N 0.320 120.505 120.200 -0.025 0.000 2.409 696 E HA -0.123 4.226 4.350 -0.000 0.000 0.198 696 E C 1.305 177.867 176.600 -0.063 0.000 1.024 696 E CA 0.646 57.034 56.400 -0.019 0.000 0.861 696 E CB 0.163 29.880 29.700 0.028 0.000 0.788 696 E HN 0.308 nan 8.360 nan 0.000 0.521 697 A N 0.052 122.783 122.820 -0.149 0.000 2.140 697 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 697 A C 1.586 179.013 177.584 -0.262 0.000 1.181 697 A CA -0.081 51.804 52.037 -0.253 0.000 0.824 697 A CB 0.214 18.886 19.000 -0.547 0.000 0.879 697 A HN 0.182 nan 8.150 nan 0.000 0.480 698 Q N -0.490 119.173 119.800 -0.228 0.000 2.282 698 Q HA 0.327 4.667 4.340 -0.000 0.000 0.205 698 Q C 1.112 177.045 176.000 -0.111 0.000 0.915 698 Q CA 0.392 56.086 55.803 -0.182 0.000 0.949 698 Q CB 0.155 28.797 28.738 -0.160 0.000 1.035 698 Q HN 0.613 nan 8.270 nan 0.000 0.484 699 A N 0.392 123.155 122.820 -0.095 0.000 2.390 699 A HA 0.130 4.450 4.320 -0.000 0.000 0.225 699 A C 0.649 178.200 177.584 -0.054 0.000 1.232 699 A CA 0.117 52.118 52.037 -0.060 0.000 0.964 699 A CB 0.348 19.322 19.000 -0.043 0.000 1.064 699 A HN 0.400 nan 8.150 nan 0.000 0.525 700 N N -1.554 117.105 118.700 -0.070 0.000 2.869 700 N HA -0.125 4.615 4.740 -0.000 0.000 0.249 700 N C -0.062 175.425 175.510 -0.037 0.000 1.104 700 N CA 0.913 53.930 53.050 -0.055 0.000 0.760 700 N CB -1.963 36.499 38.487 -0.042 0.000 1.108 700 N HN 0.392 nan 8.380 nan 0.000 0.555 701 L N -0.278 120.923 121.223 -0.037 0.000 2.791 701 L HA 0.359 4.699 4.340 -0.000 0.000 0.239 701 L C 0.082 176.948 176.870 -0.007 0.000 1.203 701 L CA 0.030 54.859 54.840 -0.018 0.000 1.002 701 L CB 0.106 42.156 42.059 -0.014 0.000 1.295 701 L HN 0.134 nan 8.230 nan 0.000 0.504 702 L N 0.118 121.334 121.223 -0.011 0.000 2.356 702 L HA 0.386 4.726 4.340 -0.000 0.000 0.277 702 L C 0.035 176.914 176.870 0.014 0.000 0.996 702 L CA -0.378 54.468 54.840 0.010 0.000 0.822 702 L CB 2.263 44.332 42.059 0.016 0.000 1.256 702 L HN 0.009 nan 8.230 nan 0.000 0.413 703 T N 2.648 117.217 114.554 0.024 0.000 2.817 703 T HA 0.249 4.599 4.350 -0.000 0.000 0.295 703 T C 0.477 175.198 174.700 0.034 0.000 0.958 703 T CA -0.445 61.671 62.100 0.026 0.000 1.157 703 T CB 0.910 69.795 68.868 0.028 0.000 0.898 703 T HN 0.629 nan 8.240 nan 0.000 0.536 704 A N 4.685 127.524 122.820 0.032 0.000 2.451 704 A HA 0.220 4.540 4.320 -0.000 0.000 0.266 704 A C 0.559 178.174 177.584 0.051 0.000 1.119 704 A CA -0.449 51.610 52.037 0.036 0.000 0.786 704 A CB -0.054 18.962 19.000 0.027 0.000 1.061 704 A HN 0.791 nan 8.150 nan 0.000 0.503 705 K N 3.002 123.434 120.400 0.052 0.000 2.363 705 K HA 0.043 4.363 4.320 -0.000 0.000 0.289 705 K C -0.139 176.515 176.600 0.090 0.000 1.063 705 K CA -0.253 56.076 56.287 0.070 0.000 0.967 705 K CB 0.152 32.685 32.500 0.055 0.000 0.987 705 K HN 0.836 nan 8.250 nan 0.000 0.473 706 H N 1.721 120.795 119.070 0.006 0.000 3.128 706 H HA -0.205 4.351 4.556 -0.000 0.000 0.258 706 H C 1.334 176.665 175.328 0.004 0.000 0.812 706 H CA 2.133 58.182 56.048 0.002 0.000 1.446 706 H CB -0.278 29.483 29.762 -0.003 0.000 1.303 706 H HN 0.925 nan 8.280 nan 0.000 0.512 707 G N 3.279 111.868 108.800 -0.352 0.000 2.176 707 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 707 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 707 G C 0.230 175.063 174.900 -0.112 0.000 0.979 707 G CA 0.292 45.227 45.100 -0.275 0.000 0.641 707 G HN 0.665 nan 8.290 nan 0.000 0.530 708 M N 1.202 120.767 119.600 -0.059 0.000 2.528 708 M HA 0.448 4.928 4.480 -0.000 0.000 0.321 708 M C 0.603 176.899 176.300 -0.007 0.000 1.153 708 M CA -0.616 54.670 55.300 -0.023 0.000 0.951 708 M CB 1.873 34.471 32.600 -0.004 0.000 1.705 708 M HN 0.053 nan 8.290 nan 0.000 0.451 709 T N 1.744 116.300 114.554 0.003 0.000 2.791 709 T HA 0.060 4.410 4.350 -0.000 0.000 0.323 709 T C 1.356 176.073 174.700 0.028 0.000 1.082 709 T CA -0.319 61.790 62.100 0.015 0.000 1.084 709 T CB 0.465 69.348 68.868 0.026 0.000 0.992 709 T HN 0.418 nan 8.240 nan 0.000 0.547 710 L N 1.138 122.376 121.223 0.026 0.000 2.046 710 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 710 L C 2.634 179.542 176.870 0.064 0.000 1.077 710 L CA 1.637 56.493 54.840 0.027 0.000 0.747 710 L CB -0.851 41.207 42.059 -0.002 0.000 0.896 710 L HN 0.456 nan 8.230 nan 0.000 0.432 711 R N 0.206 120.748 120.500 0.069 0.000 2.096 711 R HA -0.162 4.178 4.340 -0.000 0.000 0.229 711 R C 2.267 178.663 176.300 0.160 0.000 1.134 711 R CA 1.690 57.871 56.100 0.135 0.000 0.917 711 R CB -0.516 29.853 30.300 0.116 0.000 0.832 711 R HN 0.408 nan 8.270 nan 0.000 0.430 712 E N -0.424 119.827 120.200 0.085 0.000 2.086 712 E HA -0.269 4.081 4.350 -0.000 0.000 0.205 712 E C 2.005 178.626 176.600 0.035 0.000 1.027 712 E CA 1.950 58.375 56.400 0.043 0.000 0.830 712 E CB -0.279 29.431 29.700 0.017 0.000 0.751 712 E HN 0.258 nan 8.360 nan 0.000 0.456 713 S N 0.288 116.018 115.700 0.051 0.000 2.419 713 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 713 S C 1.450 176.095 174.600 0.074 0.000 1.019 713 S CA 0.884 59.110 58.200 0.043 0.000 0.982 713 S CB -0.268 62.963 63.200 0.052 0.000 0.789 713 S HN 0.272 nan 8.310 nan 0.000 0.490 714 F N 2.655 122.581 119.950 -0.041 0.000 2.053 714 F HA 0.002 4.529 4.527 -0.000 0.000 0.292 714 F C 2.255 178.015 175.800 -0.067 0.000 1.125 714 F CA 1.296 59.267 58.000 -0.048 0.000 1.193 714 F CB -0.780 38.198 39.000 -0.037 0.000 0.996 714 F HN 0.038 nan 8.300 nan 0.000 0.470 715 E N 0.439 120.461 120.200 -0.296 0.000 2.086 715 E HA -0.308 4.042 4.350 -0.000 0.000 0.200 715 E C 2.038 178.423 176.600 -0.358 0.000 1.012 715 E CA 1.722 57.878 56.400 -0.408 0.000 0.812 715 E CB -0.843 28.759 29.700 -0.163 0.000 0.743 715 E HN 0.529 nan 8.360 nan 0.000 0.453 716 D N 0.834 121.099 120.400 -0.226 0.000 2.177 716 D HA -0.206 4.434 4.640 -0.000 0.000 0.189 716 D C 1.627 177.725 176.300 -0.337 0.000 1.002 716 D CA 1.213 55.088 54.000 -0.209 0.000 0.845 716 D CB -0.204 40.522 40.800 -0.123 0.000 0.960 716 D HN 0.108 nan 8.370 nan 0.000 0.447 717 N N 0.226 118.688 118.700 -0.397 0.000 2.036 717 N HA -0.159 4.581 4.740 -0.000 0.000 0.195 717 N C 2.178 176.998 175.510 -1.150 0.000 1.037 717 N CA 1.214 53.826 53.050 -0.730 0.000 0.855 717 N CB -0.671 37.512 38.487 -0.508 0.000 1.033 717 N HN 0.149 nan 8.380 nan 0.000 0.423 718 V N 1.882 121.324 119.914 -0.787 0.000 2.232 718 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 718 V C 2.590 178.423 176.094 -0.435 0.000 1.048 718 V CA 2.037 63.987 62.300 -0.583 0.000 1.029 718 V CB -1.122 30.347 31.823 -0.590 0.000 0.658 718 V HN 0.052 nan 8.190 nan 0.000 0.464 719 V N -0.286 119.427 119.914 -0.335 0.000 2.238 719 V HA -0.447 3.673 4.120 -0.000 0.000 0.253 719 V C 2.483 178.483 176.094 -0.157 0.000 1.050 719 V CA 2.926 65.110 62.300 -0.194 0.000 1.045 719 V CB -0.912 30.817 31.823 -0.157 0.000 0.670 719 V HN 0.471 nan 8.190 nan 0.000 0.469 720 R N -1.100 119.278 120.500 -0.203 0.000 2.208 720 R HA -0.257 4.083 4.340 -0.000 0.000 0.262 720 R C 2.184 178.522 176.300 0.064 0.000 1.166 720 R CA 2.556 58.591 56.100 -0.108 0.000 0.987 720 R CB -0.509 29.682 30.300 -0.182 0.000 0.887 720 R HN 0.635 nan 8.270 nan 0.000 0.459 721 F N -0.288 119.624 119.950 -0.064 0.000 2.084 721 F HA -0.225 4.302 4.527 -0.000 0.000 0.296 721 F C 2.115 177.864 175.800 -0.084 0.000 1.111 721 F CA 0.282 58.242 58.000 -0.068 0.000 1.224 721 F CB -0.245 38.703 39.000 -0.086 0.000 0.991 721 F HN -0.030 nan 8.300 nan 0.000 0.471 722 L N 0.481 121.737 121.223 0.055 0.000 1.970 722 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 722 L C 2.073 178.999 176.870 0.094 0.000 1.071 722 L CA 1.601 56.381 54.840 -0.100 0.000 0.751 722 L CB -1.365 40.484 42.059 -0.349 0.000 0.889 722 L HN 0.087 nan 8.230 nan 0.000 0.432 723 N N -0.024 118.747 118.700 0.118 0.000 2.018 723 N HA -0.292 4.448 4.740 -0.000 0.000 0.196 723 N C 1.889 177.473 175.510 0.124 0.000 1.043 723 N CA 1.810 54.943 53.050 0.138 0.000 0.856 723 N CB -0.493 38.047 38.487 0.088 0.000 1.042 723 N HN 0.511 nan 8.380 nan 0.000 0.423 724 E N 0.764 121.028 120.200 0.107 0.000 2.171 724 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 724 E C 1.774 178.434 176.600 0.100 0.000 0.997 724 E CA 1.320 57.779 56.400 0.100 0.000 0.810 724 E CB -0.006 29.764 29.700 0.116 0.000 0.738 724 E HN 0.405 nan 8.360 nan 0.000 0.467 725 A N 1.259 124.142 122.820 0.104 0.000 1.874 725 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 725 A C 2.188 179.854 177.584 0.138 0.000 1.189 725 A CA 1.189 53.284 52.037 0.096 0.000 0.615 725 A CB -0.523 18.518 19.000 0.067 0.000 0.830 725 A HN 0.247 nan 8.150 nan 0.000 0.443 726 R N 0.112 120.727 120.500 0.192 0.000 2.094 726 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 726 R C 1.502 177.898 176.300 0.159 0.000 1.137 726 R CA 2.393 58.614 56.100 0.203 0.000 0.943 726 R CB -0.601 29.841 30.300 0.236 0.000 0.850 726 R HN 0.467 nan 8.270 nan 0.000 0.433 727 D N 0.371 120.873 120.400 0.169 0.000 2.088 727 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 727 D C 1.885 178.329 176.300 0.240 0.000 0.992 727 D CA 2.270 56.403 54.000 0.221 0.000 0.831 727 D CB -0.197 40.689 40.800 0.143 0.000 0.973 727 D HN 0.485 nan 8.370 nan 0.000 0.447 728 K N 0.808 121.305 120.400 0.163 0.000 2.209 728 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 728 K C 2.078 178.745 176.600 0.113 0.000 1.048 728 K CA 1.407 57.780 56.287 0.142 0.000 0.940 728 K CB -0.214 32.342 32.500 0.093 0.000 0.729 728 K HN 0.083 nan 8.250 nan 0.000 0.451 729 A N 1.798 124.678 122.820 0.100 0.000 1.883 729 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 729 A C 2.521 180.123 177.584 0.030 0.000 1.186 729 A CA 1.976 54.051 52.037 0.064 0.000 0.624 729 A CB -1.466 17.579 19.000 0.074 0.000 0.822 729 A HN 0.566 nan 8.150 nan 0.000 0.444 730 G N -1.154 107.666 108.800 0.034 0.000 2.434 730 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 730 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 730 G C 1.668 176.481 174.900 -0.144 0.000 1.202 730 G CA 0.890 45.937 45.100 -0.089 0.000 0.788 730 G HN 0.516 nan 8.290 nan 0.000 0.539 731 R N -0.200 120.311 120.500 0.018 0.000 2.165 731 R HA -0.154 4.186 4.340 -0.000 0.000 0.254 731 R C 2.628 178.940 176.300 0.019 0.000 1.153 731 R CA 1.529 57.693 56.100 0.106 0.000 0.971 731 R CB -0.449 30.035 30.300 0.308 0.000 0.878 731 R HN 0.408 nan 8.270 nan 0.000 0.449 732 L N -0.644 120.592 121.223 0.021 0.000 1.956 732 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 732 L C 2.672 179.530 176.870 -0.021 0.000 1.073 732 L CA 1.671 56.516 54.840 0.009 0.000 0.762 732 L CB -0.773 41.293 42.059 0.012 0.000 0.889 732 L HN 0.325 nan 8.230 nan 0.000 0.433 733 A N -0.331 122.460 122.820 -0.049 0.000 1.940 733 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 733 A C 2.219 179.755 177.584 -0.080 0.000 1.176 733 A CA 2.019 54.019 52.037 -0.062 0.000 0.631 733 A CB -0.659 18.293 19.000 -0.079 0.000 0.814 733 A HN 0.563 nan 8.150 nan 0.000 0.446 734 E N -0.106 120.015 120.200 -0.132 0.000 2.033 734 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 734 E C 1.199 177.772 176.600 -0.045 0.000 1.011 734 E CA 1.987 58.308 56.400 -0.132 0.000 0.815 734 E CB -0.200 29.382 29.700 -0.197 0.000 0.755 734 E HN 0.311 nan 8.360 nan 0.000 0.451 735 V N 2.051 121.957 119.914 -0.013 0.000 3.611 735 V HA -0.026 4.094 4.120 -0.000 0.000 0.281 735 V C 1.526 177.622 176.094 0.004 0.000 1.247 735 V CA 0.944 63.249 62.300 0.010 0.000 1.198 735 V CB -0.762 31.078 31.823 0.028 0.000 0.977 735 V HN 0.358 nan 8.190 nan 0.000 0.445 736 N N 0.154 118.849 118.700 -0.009 0.000 2.227 736 N HA 0.154 4.893 4.740 -0.000 0.000 0.196 736 N C 0.425 175.931 175.510 -0.007 0.000 1.142 736 N CA -0.092 52.954 53.050 -0.006 0.000 0.887 736 N CB 0.585 39.066 38.487 -0.011 0.000 1.022 736 N HN 0.404 nan 8.380 nan 0.000 0.500 737 L N 3.125 124.341 121.223 -0.011 0.000 2.278 737 L HA 0.246 4.586 4.340 -0.000 0.000 0.287 737 L C 0.390 177.264 176.870 0.008 0.000 1.072 737 L CA -0.395 54.442 54.840 -0.005 0.000 0.819 737 L CB 1.106 43.158 42.059 -0.012 0.000 1.176 737 L HN -0.069 nan 8.230 nan 0.000 0.435 738 K N 1.880 122.287 120.400 0.012 0.000 2.285 738 K HA -0.038 4.282 4.320 -0.000 0.000 0.255 738 K C 0.034 176.651 176.600 0.030 0.000 1.000 738 K CA -0.299 56.000 56.287 0.020 0.000 0.887 738 K CB 0.509 33.020 32.500 0.018 0.000 0.997 738 K HN 0.437 nan 8.250 nan 0.000 0.510 739 D N 0.652 121.073 120.400 0.035 0.000 2.338 739 D HA -0.005 4.635 4.640 -0.000 0.000 0.239 739 D C 0.893 177.229 176.300 0.060 0.000 1.095 739 D CA 0.464 54.492 54.000 0.046 0.000 0.888 739 D CB -0.150 40.676 40.800 0.043 0.000 0.899 739 D HN 0.365 nan 8.370 nan 0.000 0.525 740 L N -2.674 118.581 121.223 0.055 0.000 2.701 740 L HA 0.287 4.627 4.340 -0.000 0.000 0.238 740 L C 0.416 177.325 176.870 0.064 0.000 1.106 740 L CA -0.275 54.603 54.840 0.064 0.000 0.898 740 L CB -0.647 41.438 42.059 0.044 0.000 1.188 740 L HN -0.240 nan 8.230 nan 0.000 0.508 741 N N 1.531 120.262 118.700 0.052 0.000 2.438 741 N HA -0.011 4.729 4.740 -0.000 0.000 0.267 741 N C 0.693 176.252 175.510 0.082 0.000 1.222 741 N CA -0.067 53.008 53.050 0.042 0.000 0.930 741 N CB 0.410 38.913 38.487 0.027 0.000 1.083 741 N HN 0.259 nan 8.380 nan 0.000 0.476 742 N N 3.011 121.750 118.700 0.064 0.000 2.018 742 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 742 N C 1.552 177.178 175.510 0.193 0.000 1.043 742 N CA 1.135 54.267 53.050 0.136 0.000 0.856 742 N CB -0.452 37.916 38.487 -0.198 0.000 1.042 742 N HN 0.331 nan 8.380 nan 0.000 0.423 743 V N 1.825 121.792 119.914 0.088 0.000 2.370 743 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 743 V C 2.557 178.706 176.094 0.092 0.000 1.068 743 V CA 1.806 64.159 62.300 0.087 0.000 1.061 743 V CB -0.527 31.320 31.823 0.039 0.000 0.656 743 V HN 0.398 nan 8.190 nan 0.000 0.455 744 K N -0.549 119.897 120.400 0.078 0.000 2.031 744 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 744 K C 2.269 178.921 176.600 0.087 0.000 1.049 744 K CA 1.461 57.786 56.287 0.063 0.000 0.939 744 K CB -0.163 32.365 32.500 0.046 0.000 0.717 744 K HN 0.509 nan 8.250 nan 0.000 0.438 745 Q N -0.079 119.799 119.800 0.130 0.000 2.152 745 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 745 Q C 2.007 178.054 176.000 0.078 0.000 0.985 745 Q CA 1.920 57.797 55.803 0.124 0.000 0.863 745 Q CB -0.072 28.799 28.738 0.221 0.000 0.904 745 Q HN 0.424 nan 8.270 nan 0.000 0.422 746 M N -0.515 119.168 119.600 0.140 0.000 2.562 746 M HA -0.082 4.398 4.480 -0.000 0.000 0.257 746 M C 1.734 178.071 176.300 0.061 0.000 1.099 746 M CA 0.586 55.939 55.300 0.088 0.000 1.099 746 M CB 0.385 33.084 32.600 0.166 0.000 1.427 746 M HN 0.063 nan 8.290 nan 0.000 0.489 747 V N -0.176 119.777 119.914 0.066 0.000 2.599 747 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 747 V C 2.184 178.306 176.094 0.045 0.000 1.046 747 V CA 1.116 63.450 62.300 0.057 0.000 1.065 747 V CB -0.311 31.546 31.823 0.057 0.000 0.703 747 V HN 0.463 nan 8.190 nan 0.000 0.464 748 M N 0.175 119.799 119.600 0.040 0.000 2.229 748 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 748 M C 2.331 178.637 176.300 0.011 0.000 1.063 748 M CA 1.917 57.234 55.300 0.029 0.000 1.114 748 M CB -0.477 32.140 32.600 0.028 0.000 1.387 748 M HN 0.405 nan 8.290 nan 0.000 0.420 749 A N 0.059 122.878 122.820 -0.002 0.000 1.929 749 A HA 0.208 4.527 4.320 -0.000 0.000 0.216 749 A C 1.668 179.248 177.584 -0.007 0.000 1.176 749 A CA 1.345 53.368 52.037 -0.023 0.000 0.628 749 A CB -0.834 18.132 19.000 -0.057 0.000 0.816 749 A HN 0.628 nan 8.150 nan 0.000 0.444 750 G N -0.581 108.225 108.800 0.010 0.000 2.325 750 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.248 750 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.248 750 G C 0.220 175.131 174.900 0.019 0.000 1.108 750 G CA 0.687 45.799 45.100 0.020 0.000 0.881 750 G HN 1.684 nan 8.290 nan 0.000 0.494 751 S N -0.661 115.050 115.700 0.018 0.000 2.617 751 S HA 0.684 5.154 4.470 -0.000 0.000 0.237 751 S C -0.148 174.473 174.600 0.034 0.000 1.142 751 S CA -0.007 58.205 58.200 0.020 0.000 1.167 751 S CB 0.946 64.147 63.200 0.001 0.000 1.068 751 S HN 0.939 nan 8.310 nan 0.000 0.470 752 K N 0.178 120.602 120.400 0.041 0.000 5.111 752 K HA 0.233 4.553 4.320 -0.000 0.000 1.019 752 K C -0.070 176.565 176.600 0.059 0.000 1.282 752 K CA 0.820 57.136 56.287 0.049 0.000 1.068 752 K CB -0.745 31.788 32.500 0.055 0.000 3.151 752 K HN 1.750 nan 8.250 nan 0.000 0.224 753 G N 1.422 110.257 108.800 0.058 0.000 2.862 753 G HA2 0.066 4.026 3.960 -0.000 0.000 0.686 753 G HA3 0.066 4.026 3.960 -0.000 0.000 0.686 753 G C -0.535 174.407 174.900 0.070 0.000 1.134 753 G CA 0.027 45.165 45.100 0.064 0.000 0.791 753 G HN 1.617 nan 8.290 nan 0.000 0.592 754 S N 1.930 117.681 115.700 0.084 0.000 2.651 754 S HA 0.772 5.242 4.470 -0.000 0.000 0.279 754 S C 0.816 175.511 174.600 0.158 0.000 1.148 754 S CA 0.186 58.455 58.200 0.116 0.000 0.837 754 S CB 1.836 65.105 63.200 0.116 0.000 1.138 754 S HN 1.811 nan 8.310 nan 0.000 0.478 755 F N 1.405 121.372 119.950 0.028 0.000 2.311 755 F HA -0.366 4.161 4.527 -0.000 0.000 0.290 755 F C 2.001 177.816 175.800 0.024 0.000 1.181 755 F CA 2.736 60.751 58.000 0.025 0.000 1.333 755 F CB -0.509 38.504 39.000 0.022 0.000 0.887 755 F HN 0.593 nan 8.300 nan 0.000 0.555 756 I N 0.569 121.404 120.570 0.441 0.000 2.147 756 I HA -0.457 3.713 4.170 -0.000 0.000 0.245 756 I C 2.189 178.357 176.117 0.085 0.000 1.059 756 I CA 2.062 63.517 61.300 0.257 0.000 1.320 756 I CB -1.868 36.252 38.000 0.202 0.000 1.021 756 I HN 0.436 nan 8.210 nan 0.000 0.415 757 N N 1.141 119.889 118.700 0.080 0.000 2.005 757 N HA -0.216 4.524 4.740 -0.000 0.000 0.199 757 N C 1.968 177.488 175.510 0.016 0.000 1.054 757 N CA 1.894 54.981 53.050 0.062 0.000 0.864 757 N CB -0.542 37.985 38.487 0.067 0.000 1.063 757 N HN 0.384 nan 8.380 nan 0.000 0.428 758 I N 1.612 122.163 120.570 -0.031 0.000 2.185 758 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 758 I C 2.436 178.489 176.117 -0.106 0.000 1.088 758 I CA 1.324 62.581 61.300 -0.072 0.000 1.347 758 I CB -0.470 37.451 38.000 -0.131 0.000 1.041 758 I HN 0.118 nan 8.210 nan 0.000 0.415 759 A N 0.530 123.258 122.820 -0.154 0.000 1.837 759 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 759 A C 2.206 179.715 177.584 -0.124 0.000 1.210 759 A CA 1.885 53.836 52.037 -0.144 0.000 0.632 759 A CB -0.987 17.958 19.000 -0.092 0.000 0.843 759 A HN 0.494 nan 8.150 nan 0.000 0.448 760 Q N -1.142 118.581 119.800 -0.129 0.000 2.576 760 Q HA -0.091 4.249 4.340 -0.000 0.000 0.218 760 Q C 1.786 177.578 176.000 -0.345 0.000 0.983 760 Q CA 1.125 56.752 55.803 -0.292 0.000 0.920 760 Q CB -0.252 28.317 28.738 -0.281 0.000 0.973 760 Q HN 0.744 nan 8.270 nan 0.000 0.528 761 M N -2.236 117.311 119.600 -0.089 0.000 2.800 761 M HA 0.029 4.509 4.480 -0.000 0.000 0.257 761 M C 1.694 177.995 176.300 0.002 0.000 1.309 761 M CA 0.676 56.007 55.300 0.052 0.000 1.202 761 M CB 0.634 33.308 32.600 0.124 0.000 1.273 761 M HN -0.047 nan 8.290 nan 0.000 0.528 762 S N 0.251 115.929 115.700 -0.036 0.000 2.497 762 S HA 0.316 4.786 4.470 -0.000 0.000 0.221 762 S C 1.485 176.053 174.600 -0.053 0.000 1.037 762 S CA 0.437 58.615 58.200 -0.036 0.000 0.920 762 S CB 0.329 63.506 63.200 -0.038 0.000 0.800 762 S HN 0.403 nan 8.310 nan 0.000 0.505 763 A N 0.518 123.291 122.820 -0.078 0.000 2.686 763 A HA 0.584 4.904 4.320 -0.000 0.000 0.221 763 A C 0.729 178.261 177.584 -0.086 0.000 2.249 763 A CA 0.425 52.421 52.037 -0.069 0.000 1.005 763 A CB -0.539 18.420 19.000 -0.069 0.000 1.391 763 A HN 0.560 nan 8.150 nan 0.000 0.536 764 C N -1.329 117.904 119.300 -0.110 0.000 2.880 764 C HA 0.627 5.086 4.460 -0.000 0.000 0.320 764 C C 1.340 176.183 174.990 -0.244 0.000 1.176 764 C CA -0.292 58.630 59.018 -0.159 0.000 1.390 764 C CB 0.568 28.261 27.740 -0.079 0.000 1.846 764 C HN 0.623 nan 8.230 nan 0.000 0.478 765 V N 4.215 123.902 119.914 -0.379 0.000 2.262 765 V HA 0.507 4.627 4.120 -0.000 0.000 0.192 765 V C 1.561 177.462 176.094 -0.322 0.000 0.934 765 V CA 1.881 63.910 62.300 -0.452 0.000 1.098 765 V CB -0.847 30.637 31.823 -0.565 0.000 0.691 765 V HN 1.454 nan 8.190 nan 0.000 0.468 766 G N -1.386 107.180 108.800 -0.390 0.000 2.349 766 G HA2 0.426 4.386 3.960 -0.000 0.000 0.294 766 G HA3 0.426 4.386 3.960 -0.000 0.000 0.294 766 G C -1.617 173.176 174.900 -0.177 0.000 1.380 766 G CA -0.380 44.583 45.100 -0.229 0.000 0.811 766 G HN 0.372 nan 8.290 nan 0.000 0.519 767 Q N 0.556 120.468 119.800 0.187 0.000 2.381 767 Q HA 0.454 4.794 4.340 -0.000 0.000 0.243 767 Q C 0.389 176.486 176.000 0.161 0.000 1.154 767 Q CA -0.092 55.907 55.803 0.327 0.000 0.899 767 Q CB 0.522 29.480 28.738 0.368 0.000 1.396 767 Q HN 0.431 nan 8.270 nan 0.000 0.485 768 Q N 1.754 121.642 119.800 0.147 0.000 2.333 768 Q HA 0.255 4.595 4.340 -0.000 0.000 0.299 768 Q C -0.835 175.221 176.000 0.093 0.000 1.067 768 Q CA 0.632 56.522 55.803 0.144 0.000 0.943 768 Q CB 0.612 29.479 28.738 0.215 0.000 1.233 768 Q HN 0.806 nan 8.270 nan 0.000 0.401 769 S N 0.348 116.084 115.700 0.059 0.000 2.579 769 S HA 0.868 5.338 4.470 -0.000 0.000 0.272 769 S C -1.297 173.300 174.600 -0.005 0.000 1.141 769 S CA -0.927 57.282 58.200 0.014 0.000 0.843 769 S CB 1.414 64.620 63.200 0.009 0.000 1.122 769 S HN 0.283 nan 8.310 nan 0.000 0.468 770 V N 1.267 121.164 119.914 -0.027 0.000 2.686 770 V HA 0.530 4.650 4.120 -0.000 0.000 0.306 770 V C -0.137 175.935 176.094 -0.037 0.000 1.065 770 V CA -0.801 61.479 62.300 -0.033 0.000 0.894 770 V CB 1.140 32.937 31.823 -0.043 0.000 1.004 770 V HN 1.150 nan 8.190 nan 0.000 0.424 771 E N 3.049 123.231 120.200 -0.030 0.000 2.365 771 E HA -0.334 4.016 4.350 -0.000 0.000 0.237 771 E C 1.262 177.844 176.600 -0.031 0.000 1.238 771 E CA 0.878 57.261 56.400 -0.029 0.000 0.718 771 E CB -1.150 28.532 29.700 -0.030 0.000 1.218 771 E HN 1.496 nan 8.360 nan 0.000 0.387 772 G N 0.058 108.841 108.800 -0.029 0.000 4.890 772 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.221 772 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.221 772 G C 0.059 174.932 174.900 -0.045 0.000 1.472 772 G CA 0.066 45.147 45.100 -0.032 0.000 0.962 772 G HN 0.265 nan 8.290 nan 0.000 0.671 773 K N 3.100 123.465 120.400 -0.058 0.000 2.550 773 K HA 0.253 4.573 4.320 -0.000 0.000 0.280 773 K C 1.177 177.722 176.600 -0.091 0.000 0.987 773 K CA 0.416 56.654 56.287 -0.083 0.000 1.048 773 K CB 0.294 32.739 32.500 -0.092 0.000 0.879 773 K HN 0.740 nan 8.250 nan 0.000 0.491 774 R N 2.207 122.642 120.500 -0.108 0.000 2.827 774 R HA 0.073 4.413 4.340 -0.000 0.000 0.269 774 R C 0.533 176.742 176.300 -0.152 0.000 1.048 774 R CA -0.766 55.274 56.100 -0.099 0.000 1.173 774 R CB -0.063 30.180 30.300 -0.095 0.000 1.070 774 R HN 0.427 nan 8.270 nan 0.000 0.498 775 I N 0.807 121.280 120.570 -0.161 0.000 3.156 775 I HA -0.231 3.939 4.170 -0.000 0.000 0.327 775 I C 1.054 177.013 176.117 -0.264 0.000 1.194 775 I CA 0.840 61.993 61.300 -0.246 0.000 1.473 775 I CB -0.722 36.985 38.000 -0.489 0.000 1.294 775 I HN 0.818 nan 8.210 nan 0.000 0.548 776 A N 7.138 129.833 122.820 -0.209 0.000 2.298 776 A HA 0.556 4.876 4.320 -0.000 0.000 0.302 776 A C 0.162 177.733 177.584 -0.021 0.000 1.177 776 A CA -0.500 51.419 52.037 -0.197 0.000 0.912 776 A CB 0.462 19.391 19.000 -0.119 0.000 1.331 776 A HN 0.632 nan 8.150 nan 0.000 0.504 777 F N 0.579 120.482 119.950 -0.080 0.000 2.974 777 F HA 0.185 4.712 4.527 -0.000 0.000 0.292 777 F C 1.949 177.751 175.800 0.002 0.000 1.209 777 F CA -0.122 57.861 58.000 -0.028 0.000 1.366 777 F CB 0.110 39.099 39.000 -0.018 0.000 1.033 777 F HN 0.805 nan 8.300 nan 0.000 0.516 778 G N 0.358 109.228 108.800 0.117 0.000 2.485 778 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 778 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 778 G C 0.630 175.573 174.900 0.072 0.000 1.115 778 G CA 0.211 45.319 45.100 0.013 0.000 0.751 778 G HN 0.409 nan 8.290 nan 0.000 0.567 779 F N 1.591 121.555 119.950 0.024 0.000 2.425 779 F HA 0.306 4.833 4.527 -0.000 0.000 0.354 779 F C 0.553 176.316 175.800 -0.062 0.000 1.162 779 F CA -1.160 56.826 58.000 -0.024 0.000 1.250 779 F CB 0.912 39.882 39.000 -0.051 0.000 1.579 779 F HN -0.245 nan 8.300 nan 0.000 0.589 780 V N 4.833 124.844 119.914 0.161 0.000 5.885 780 V HA -0.341 3.779 4.120 -0.000 0.000 0.155 780 V C 0.312 176.343 176.094 -0.106 0.000 0.755 780 V CA 1.073 63.394 62.300 0.034 0.000 0.552 780 V CB -1.324 30.509 31.823 0.018 0.000 0.485 780 V HN 0.893 nan 8.190 nan 0.000 0.381 781 D N 1.964 122.228 120.400 -0.226 0.000 2.800 781 D HA -0.183 4.456 4.640 -0.000 0.000 0.232 781 D C 0.472 176.005 176.300 -1.278 0.000 1.137 781 D CA 1.645 55.216 54.000 -0.714 0.000 0.718 781 D CB -0.285 40.327 40.800 -0.314 0.000 1.084 781 D HN 1.077 nan 8.370 nan 0.000 0.432 782 R N -4.111 115.737 120.500 -1.086 0.000 2.829 782 R HA 0.431 4.770 4.340 -0.000 0.000 0.284 782 R C 0.390 176.825 176.300 0.225 0.000 1.006 782 R CA -0.800 55.034 56.100 -0.443 0.000 0.844 782 R CB 0.137 30.376 30.300 -0.101 0.000 1.309 782 R HN -0.209 nan 8.270 nan 0.000 0.494 783 T N 0.582 115.376 114.554 0.399 0.000 2.697 783 T HA 0.215 4.565 4.350 -0.000 0.000 0.244 783 T C 0.857 175.665 174.700 0.180 0.000 1.090 783 T CA 0.662 62.917 62.100 0.258 0.000 1.255 783 T CB -0.169 68.858 68.868 0.266 0.000 0.931 783 T HN 0.292 nan 8.240 nan 0.000 0.406 784 L N 1.102 122.305 121.223 -0.032 0.000 2.335 784 L HA 0.390 4.729 4.340 -0.000 0.000 0.268 784 L C -1.778 175.034 176.870 -0.097 0.000 1.016 784 L CA -2.409 52.411 54.840 -0.034 0.000 0.805 784 L CB 0.697 42.393 42.059 -0.605 0.000 1.311 784 L HN 0.025 nan 8.230 nan 0.000 0.456 785 P HA -0.031 nan 4.420 nan 0.000 0.256 785 P C 0.450 177.810 177.300 0.100 0.000 1.335 785 P CA 0.927 63.907 63.100 -0.201 0.000 0.808 785 P CB -0.196 31.345 31.700 -0.264 0.000 1.305 786 H N -1.774 117.171 119.070 -0.209 0.000 2.549 786 H HA 0.287 4.843 4.556 -0.000 0.000 0.279 786 H C 0.379 175.804 175.328 0.163 0.000 1.018 786 H CA -0.344 55.633 56.048 -0.119 0.000 1.175 786 H CB 0.086 29.717 29.762 -0.220 0.000 1.485 786 H HN 0.178 nan 8.280 nan 0.000 0.543 787 F N 0.446 120.482 119.950 0.144 0.000 2.593 787 F HA 0.343 4.870 4.527 -0.000 0.000 0.320 787 F C 0.165 175.987 175.800 0.037 0.000 1.060 787 F CA -1.485 56.577 58.000 0.103 0.000 0.940 787 F CB 2.065 41.142 39.000 0.128 0.000 1.268 787 F HN -0.128 nan 8.300 nan 0.000 0.475 788 S N 1.771 117.611 115.700 0.233 0.000 2.523 788 S HA 0.200 4.670 4.470 -0.000 0.000 0.275 788 S C -0.155 174.484 174.600 0.065 0.000 1.281 788 S CA -0.915 57.347 58.200 0.103 0.000 1.050 788 S CB 0.873 64.117 63.200 0.074 0.000 0.937 788 S HN 0.420 nan 8.310 nan 0.000 0.492 789 K N 1.603 122.000 120.400 -0.005 0.000 2.370 789 K HA -0.092 4.228 4.320 -0.000 0.000 0.263 789 K C -0.003 176.572 176.600 -0.041 0.000 0.983 789 K CA 0.506 56.736 56.287 -0.096 0.000 0.873 789 K CB -0.069 32.373 32.500 -0.097 0.000 0.979 789 K HN 0.623 nan 8.250 nan 0.000 0.529 790 D N 0.134 120.474 120.400 -0.100 0.000 2.782 790 D HA -0.195 4.445 4.640 -0.000 0.000 0.231 790 D C -0.615 175.933 176.300 0.414 0.000 1.163 790 D CA 1.121 55.248 54.000 0.212 0.000 0.680 790 D CB -0.678 40.230 40.800 0.179 0.000 1.062 790 D HN 0.406 nan 8.370 nan 0.000 0.425 791 D N -0.641 119.955 120.400 0.326 0.000 2.274 791 D HA 0.137 4.777 4.640 -0.000 0.000 0.239 791 D C 0.036 176.614 176.300 0.464 0.000 1.104 791 D CA -0.387 53.816 54.000 0.339 0.000 0.840 791 D CB 0.577 41.453 40.800 0.126 0.000 1.100 791 D HN 0.081 nan 8.370 nan 0.000 0.477 792 Y N 1.233 121.670 120.300 0.228 0.000 2.444 792 Y HA 0.042 4.592 4.550 -0.000 0.000 0.249 792 Y C 1.518 177.493 175.900 0.125 0.000 1.134 792 Y CA -0.292 57.936 58.100 0.213 0.000 1.261 792 Y CB -0.128 38.512 38.460 0.300 0.000 1.143 792 Y HN 0.325 nan 8.280 nan 0.000 0.523 793 S N 2.365 118.198 115.700 0.222 0.000 2.537 793 S HA -0.074 4.396 4.470 -0.000 0.000 0.280 793 S C -1.251 173.395 174.600 0.076 0.000 1.335 793 S CA -0.698 57.572 58.200 0.117 0.000 1.025 793 S CB 0.610 63.841 63.200 0.052 0.000 0.836 793 S HN 0.127 nan 8.310 nan 0.000 0.523 794 P HA -0.149 nan 4.420 nan 0.000 0.215 794 P C 0.769 178.186 177.300 0.194 0.000 1.153 794 P CA 1.554 64.695 63.100 0.067 0.000 0.853 794 P CB -0.187 31.478 31.700 -0.060 0.000 0.788 795 E N -0.440 119.852 120.200 0.154 0.000 2.510 795 E HA -0.068 4.282 4.350 -0.000 0.000 0.202 795 E C 2.012 178.740 176.600 0.213 0.000 1.072 795 E CA 0.819 57.334 56.400 0.191 0.000 0.883 795 E CB -0.470 29.280 29.700 0.084 0.000 0.818 795 E HN 0.274 nan 8.360 nan 0.000 0.548 796 S N -0.582 115.210 115.700 0.153 0.000 2.979 796 S HA 0.053 4.523 4.470 -0.000 0.000 0.243 796 S C 1.398 176.186 174.600 0.314 0.000 1.036 796 S CA -0.239 58.128 58.200 0.278 0.000 0.846 796 S CB 0.216 63.371 63.200 -0.074 0.000 0.806 796 S HN -0.099 nan 8.310 nan 0.000 0.568 797 K N 1.858 122.326 120.400 0.112 0.000 2.633 797 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 797 K C 0.665 177.256 176.600 -0.014 0.000 1.033 797 K CA 0.716 56.975 56.287 -0.046 0.000 0.980 797 K CB -0.759 31.680 32.500 -0.102 0.000 0.800 797 K HN 0.646 nan 8.250 nan 0.000 0.493 798 G N 1.674 110.590 108.800 0.194 0.000 2.858 798 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.266 798 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.266 798 G C -1.004 174.148 174.900 0.420 0.000 1.023 798 G CA -0.595 44.747 45.100 0.402 0.000 1.172 798 G HN 0.207 nan 8.290 nan 0.000 0.523 799 F N 3.658 123.770 119.950 0.270 0.000 2.745 799 F HA 0.556 5.083 4.527 -0.000 0.000 0.343 799 F C -0.113 175.769 175.800 0.135 0.000 1.196 799 F CA -1.051 57.041 58.000 0.153 0.000 1.021 799 F CB 1.869 40.932 39.000 0.105 0.000 1.297 799 F HN 0.311 nan 8.300 nan 0.000 0.486 800 V N 7.054 126.715 119.914 -0.421 0.000 2.405 800 V HA 0.085 4.205 4.120 -0.000 0.000 0.264 800 V C 1.092 176.762 176.094 -0.706 0.000 1.048 800 V CA 0.226 62.298 62.300 -0.380 0.000 0.966 800 V CB 1.059 32.706 31.823 -0.294 0.000 1.015 800 V HN 0.932 nan 8.190 nan 0.000 0.477 801 E N 4.267 124.236 120.200 -0.385 0.000 2.170 801 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 801 E C 0.864 177.374 176.600 -0.150 0.000 0.981 801 E CA 0.181 56.449 56.400 -0.220 0.000 0.830 801 E CB 0.332 30.097 29.700 0.109 0.000 0.775 801 E HN 0.751 nan 8.360 nan 0.000 0.470 802 N N 1.021 119.644 118.700 -0.129 0.000 2.354 802 N HA 0.007 4.747 4.740 -0.000 0.000 0.246 802 N C -0.139 175.271 175.510 -0.166 0.000 1.285 802 N CA 0.373 53.366 53.050 -0.095 0.000 0.925 802 N CB 1.276 39.737 38.487 -0.042 0.000 1.174 802 N HN 0.066 nan 8.380 nan 0.000 0.478 803 S N -0.659 114.969 115.700 -0.121 0.000 2.690 803 S HA 0.285 4.755 4.470 -0.000 0.000 0.291 803 S C 0.981 175.538 174.600 -0.072 0.000 1.138 803 S CA -0.734 57.365 58.200 -0.168 0.000 1.013 803 S CB 0.563 63.707 63.200 -0.093 0.000 1.053 803 S HN 0.564 nan 8.310 nan 0.000 0.539 804 Y N -0.109 120.164 120.300 -0.044 0.000 2.384 804 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 804 Y C 2.165 178.056 175.900 -0.015 0.000 1.152 804 Y CA 0.512 58.597 58.100 -0.025 0.000 1.258 804 Y CB -0.157 38.293 38.460 -0.017 0.000 0.979 804 Y HN 0.595 nan 8.280 nan 0.000 0.549 805 L N 0.602 121.901 121.223 0.128 0.000 1.989 805 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 805 L C 2.301 179.202 176.870 0.052 0.000 1.071 805 L CA 1.777 56.657 54.840 0.068 0.000 0.749 805 L CB -0.383 41.696 42.059 0.033 0.000 0.890 805 L HN 0.041 nan 8.230 nan 0.000 0.431 806 R N -0.243 120.282 120.500 0.041 0.000 2.055 806 R HA 0.245 4.585 4.340 -0.000 0.000 0.228 806 R C 0.496 176.821 176.300 0.041 0.000 1.143 806 R CA 0.768 56.885 56.100 0.029 0.000 0.945 806 R CB -0.615 29.693 30.300 0.014 0.000 0.841 806 R HN 0.503 nan 8.270 nan 0.000 0.429 807 G N 0.694 109.534 108.800 0.067 0.000 3.233 807 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 807 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 807 G C -0.813 174.128 174.900 0.069 0.000 1.153 807 G CA -1.068 44.080 45.100 0.080 0.000 0.853 807 G HN -0.018 nan 8.290 nan 0.000 0.582 808 L N 1.226 122.516 121.223 0.113 0.000 2.456 808 L HA 0.579 4.919 4.340 -0.000 0.000 0.266 808 L C 1.856 178.771 176.870 0.075 0.000 1.258 808 L CA 0.922 55.827 54.840 0.108 0.000 0.823 808 L CB 0.229 42.417 42.059 0.215 0.000 1.100 808 L HN 1.061 nan 8.230 nan 0.000 0.531 809 T N -2.889 111.708 114.554 0.072 0.000 2.945 809 T HA 0.451 4.801 4.350 -0.000 0.000 0.286 809 T C -2.027 172.717 174.700 0.075 0.000 1.025 809 T CA -1.936 60.196 62.100 0.053 0.000 1.039 809 T CB 1.565 70.463 68.868 0.051 0.000 1.068 809 T HN 0.348 nan 8.240 nan 0.000 0.497 810 P HA -0.234 nan 4.420 nan 0.000 0.219 810 P C 1.433 178.764 177.300 0.052 0.000 1.158 810 P CA 1.543 64.707 63.100 0.107 0.000 0.895 810 P CB 0.026 31.782 31.700 0.094 0.000 0.792 811 Q N -0.412 119.312 119.800 -0.126 0.000 1.993 811 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 811 Q C 2.161 177.690 176.000 -0.787 0.000 0.984 811 Q CA 1.570 57.014 55.803 -0.598 0.000 0.837 811 Q CB -1.008 27.458 28.738 -0.453 0.000 0.902 811 Q HN 0.366 nan 8.270 nan 0.000 0.423 812 E N 0.048 120.052 120.200 -0.327 0.000 2.048 812 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 812 E C 1.780 178.409 176.600 0.049 0.000 1.021 812 E CA 1.380 57.714 56.400 -0.110 0.000 0.825 812 E CB -0.369 29.339 29.700 0.013 0.000 0.756 812 E HN 0.252 nan 8.360 nan 0.000 0.454 813 F N 0.579 120.522 119.950 -0.011 0.000 2.091 813 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 813 F C 2.074 177.945 175.800 0.118 0.000 1.103 813 F CA 1.635 59.685 58.000 0.084 0.000 1.228 813 F CB -0.375 38.666 39.000 0.067 0.000 0.984 813 F HN -0.008 nan 8.300 nan 0.000 0.477 814 F N -0.584 119.348 119.950 -0.029 0.000 2.259 814 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 814 F C 1.943 177.827 175.800 0.140 0.000 1.088 814 F CA 1.261 59.241 58.000 -0.033 0.000 1.358 814 F CB -0.379 38.642 39.000 0.035 0.000 1.040 814 F HN -0.017 nan 8.300 nan 0.000 0.505 815 F N -1.582 118.528 119.950 0.267 0.000 2.149 815 F HA -0.161 4.366 4.527 -0.000 0.000 0.294 815 F C 2.493 178.337 175.800 0.073 0.000 1.095 815 F CA 0.690 58.802 58.000 0.187 0.000 1.276 815 F CB -0.787 38.330 39.000 0.195 0.000 1.023 815 F HN 0.008 nan 8.300 nan 0.000 0.480 816 H N 1.054 120.199 119.070 0.125 0.000 2.422 816 H HA -0.137 4.419 4.556 -0.000 0.000 0.298 816 H C 1.936 177.195 175.328 -0.115 0.000 1.098 816 H CA 1.132 57.184 56.048 0.006 0.000 1.315 816 H CB -0.292 29.465 29.762 -0.009 0.000 1.382 816 H HN 0.200 nan 8.280 nan 0.000 0.523 817 A N 0.613 123.261 122.820 -0.286 0.000 1.828 817 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 817 A C 2.558 179.935 177.584 -0.344 0.000 1.203 817 A CA 2.003 53.751 52.037 -0.482 0.000 0.614 817 A CB -0.879 17.706 19.000 -0.693 0.000 0.844 817 A HN 0.503 nan 8.150 nan 0.000 0.445 818 M N -0.137 119.297 119.600 -0.277 0.000 2.108 818 M HA -0.159 4.321 4.480 -0.000 0.000 0.257 818 M C 2.209 178.442 176.300 -0.110 0.000 1.071 818 M CA 1.641 56.841 55.300 -0.167 0.000 1.093 818 M CB -0.902 31.680 32.600 -0.031 0.000 1.345 818 M HN 0.510 nan 8.290 nan 0.000 0.403 819 G N 0.130 108.890 108.800 -0.065 0.000 2.433 819 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 819 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 819 G C 1.533 176.374 174.900 -0.098 0.000 1.186 819 G CA 1.020 46.098 45.100 -0.036 0.000 0.779 819 G HN 0.559 nan 8.290 nan 0.000 0.543 820 G N 0.959 109.630 108.800 -0.216 0.000 2.453 820 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 820 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 820 G C 1.805 176.605 174.900 -0.167 0.000 1.201 820 G CA 1.521 46.477 45.100 -0.240 0.000 0.784 820 G HN 0.517 nan 8.290 nan 0.000 0.545 821 R N 1.032 121.419 120.500 -0.188 0.000 2.224 821 R HA -0.263 4.077 4.340 -0.000 0.000 0.255 821 R C 2.264 178.504 176.300 -0.100 0.000 1.130 821 R CA 2.686 58.698 56.100 -0.146 0.000 0.957 821 R CB -1.161 29.045 30.300 -0.157 0.000 0.907 821 R HN 0.571 nan 8.270 nan 0.000 0.446 822 E N -1.277 118.872 120.200 -0.085 0.000 2.058 822 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 822 E C 1.898 178.468 176.600 -0.050 0.000 0.997 822 E CA 1.497 57.861 56.400 -0.059 0.000 0.801 822 E CB -0.697 28.974 29.700 -0.047 0.000 0.746 822 E HN 0.575 nan 8.360 nan 0.000 0.450 823 G N 1.691 110.460 108.800 -0.051 0.000 2.574 823 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 823 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 823 G C 1.600 176.476 174.900 -0.040 0.000 1.173 823 G CA 1.421 46.497 45.100 -0.039 0.000 0.772 823 G HN 0.247 nan 8.290 nan 0.000 0.585 824 L N 0.039 121.231 121.223 -0.051 0.000 1.976 824 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 824 L C 2.881 179.727 176.870 -0.039 0.000 1.071 824 L CA 0.948 55.761 54.840 -0.046 0.000 0.746 824 L CB -0.626 41.398 42.059 -0.057 0.000 0.890 824 L HN 0.207 nan 8.230 nan 0.000 0.432 825 I N 0.911 121.455 120.570 -0.043 0.000 2.094 825 I HA -0.436 3.734 4.170 -0.000 0.000 0.236 825 I C 2.326 178.426 176.117 -0.028 0.000 1.016 825 I CA 2.237 63.515 61.300 -0.037 0.000 1.294 825 I CB -0.681 37.295 38.000 -0.039 0.000 1.006 825 I HN 0.499 nan 8.210 nan 0.000 0.397 826 D N -0.584 119.801 120.400 -0.026 0.000 2.144 826 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 826 D C 1.909 178.198 176.300 -0.018 0.000 0.984 826 D CA 1.609 55.597 54.000 -0.020 0.000 0.834 826 D CB -0.965 39.824 40.800 -0.018 0.000 0.955 826 D HN 0.242 nan 8.370 nan 0.000 0.465 827 T N 0.114 114.656 114.554 -0.020 0.000 2.536 827 T HA -0.216 4.134 4.350 -0.000 0.000 0.263 827 T C 1.478 176.168 174.700 -0.016 0.000 1.115 827 T CA 2.352 64.442 62.100 -0.018 0.000 1.180 827 T CB -0.691 68.165 68.868 -0.020 0.000 0.864 827 T HN 0.395 nan 8.240 nan 0.000 0.419 828 A N 0.267 123.077 122.820 -0.018 0.000 2.810 828 A HA 0.474 4.794 4.320 -0.000 0.000 0.247 828 A C 0.934 178.509 177.584 -0.015 0.000 1.576 828 A CA -0.048 51.980 52.037 -0.015 0.000 1.294 828 A CB -0.280 18.710 19.000 -0.017 0.000 0.976 828 A HN 0.379 nan 8.150 nan 0.000 0.631 829 V N -1.251 118.655 119.914 -0.013 0.000 4.121 829 V HA 0.037 4.157 4.120 -0.000 0.000 0.162 829 V C 1.476 177.567 176.094 -0.006 0.000 1.393 829 V CA 0.404 62.696 62.300 -0.012 0.000 1.131 829 V CB -0.321 31.493 31.823 -0.015 0.000 1.170 829 V HN 0.454 nan 8.190 nan 0.000 0.598 830 K N 0.375 120.771 120.400 -0.006 0.000 2.632 830 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 830 K C 1.440 178.039 176.600 -0.002 0.000 1.023 830 K CA 1.140 57.425 56.287 -0.002 0.000 1.098 830 K CB 0.086 32.582 32.500 -0.007 0.000 0.862 830 K HN 0.486 nan 8.250 nan 0.000 0.504 831 T N -1.288 113.265 114.554 -0.002 0.000 3.026 831 T HA 0.177 4.527 4.350 -0.000 0.000 0.245 831 T C 1.613 176.318 174.700 0.007 0.000 1.004 831 T CA 0.541 62.639 62.100 -0.002 0.000 1.069 831 T CB 0.259 69.124 68.868 -0.006 0.000 1.005 831 T HN 0.211 nan 8.240 nan 0.000 0.472 832 A N 0.877 123.703 122.820 0.009 0.000 1.930 832 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 832 A C 2.031 179.641 177.584 0.044 0.000 1.176 832 A CA 1.640 53.687 52.037 0.017 0.000 0.632 832 A CB -0.545 18.454 19.000 -0.002 0.000 0.819 832 A HN 0.595 nan 8.150 nan 0.000 0.445 833 E N -0.617 119.606 120.200 0.038 0.000 2.110 833 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 833 E C 1.962 178.623 176.600 0.102 0.000 0.988 833 E CA 1.629 58.074 56.400 0.075 0.000 0.804 833 E CB -0.115 29.614 29.700 0.048 0.000 0.745 833 E HN 0.554 nan 8.360 nan 0.000 0.458 834 T N -0.504 114.080 114.554 0.051 0.000 2.622 834 T HA -0.165 4.184 4.350 -0.000 0.000 0.266 834 T C 1.764 176.483 174.700 0.032 0.000 1.047 834 T CA 1.375 63.491 62.100 0.026 0.000 1.159 834 T CB -0.837 68.029 68.868 -0.003 0.000 0.863 834 T HN 0.439 nan 8.240 nan 0.000 0.422 835 G N -0.284 108.539 108.800 0.038 0.000 2.507 835 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.221 835 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.221 835 G C 1.364 176.313 174.900 0.080 0.000 1.119 835 G CA 1.067 46.189 45.100 0.037 0.000 0.751 835 G HN 0.532 nan 8.290 nan 0.000 0.574 836 Y N 0.931 121.221 120.300 -0.016 0.000 2.153 836 Y HA 0.102 4.652 4.550 -0.000 0.000 0.289 836 Y C 2.673 178.568 175.900 -0.009 0.000 1.119 836 Y CA 0.711 58.810 58.100 -0.002 0.000 1.116 836 Y CB -0.401 38.070 38.460 0.018 0.000 1.004 836 Y HN 0.121 nan 8.280 nan 0.000 0.501 837 I N 0.536 121.107 120.570 0.002 0.000 2.181 837 I HA -0.425 3.745 4.170 -0.000 0.000 0.247 837 I C 2.598 178.623 176.117 -0.153 0.000 1.081 837 I CA 1.953 63.197 61.300 -0.093 0.000 1.340 837 I CB -0.482 37.513 38.000 -0.008 0.000 1.036 837 I HN 0.462 nan 8.210 nan 0.000 0.417 838 Q N 1.115 120.845 119.800 -0.116 0.000 1.965 838 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 838 Q C 2.343 178.232 176.000 -0.185 0.000 0.981 838 Q CA 1.379 57.101 55.803 -0.134 0.000 0.834 838 Q CB -0.421 28.256 28.738 -0.101 0.000 0.900 838 Q HN 0.322 nan 8.270 nan 0.000 0.426 839 R N 0.542 120.935 120.500 -0.178 0.000 2.226 839 R HA -0.175 4.165 4.340 -0.000 0.000 0.246 839 R C 2.046 178.135 176.300 -0.352 0.000 1.161 839 R CA 1.434 57.406 56.100 -0.213 0.000 0.997 839 R CB 0.001 30.224 30.300 -0.128 0.000 0.870 839 R HN 0.248 nan 8.270 nan 0.000 0.465 840 R N -0.406 119.846 120.500 -0.413 0.000 2.052 840 R HA 0.065 4.405 4.340 -0.000 0.000 0.224 840 R C 2.453 178.536 176.300 -0.361 0.000 1.149 840 R CA 0.903 56.731 56.100 -0.454 0.000 0.962 840 R CB -0.481 29.591 30.300 -0.379 0.000 0.856 840 R HN 0.113 nan 8.270 nan 0.000 0.433 841 L N 0.797 121.854 121.223 -0.277 0.000 2.211 841 L HA -0.279 4.061 4.340 -0.000 0.000 0.216 841 L C 2.156 178.853 176.870 -0.289 0.000 1.092 841 L CA 0.998 55.685 54.840 -0.256 0.000 0.767 841 L CB -0.607 41.339 42.059 -0.188 0.000 0.894 841 L HN 0.092 nan 8.230 nan 0.000 0.437 842 V N -0.721 119.023 119.914 -0.284 0.000 2.221 842 V HA -0.222 3.898 4.120 -0.000 0.000 0.242 842 V C 2.375 178.291 176.094 -0.297 0.000 1.041 842 V CA 1.545 63.690 62.300 -0.258 0.000 0.995 842 V CB -0.445 31.244 31.823 -0.224 0.000 0.635 842 V HN 0.346 nan 8.190 nan 0.000 0.448 843 K N 0.397 120.585 120.400 -0.354 0.000 2.442 843 K HA -0.011 4.309 4.320 -0.000 0.000 0.198 843 K C 1.948 178.291 176.600 -0.428 0.000 1.044 843 K CA 1.229 57.324 56.287 -0.320 0.000 0.948 843 K CB -0.526 31.710 32.500 -0.441 0.000 0.762 843 K HN 0.503 nan 8.250 nan 0.000 0.472 844 A N 0.288 122.704 122.820 -0.675 0.000 2.123 844 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 844 A C 1.500 178.698 177.584 -0.643 0.000 1.152 844 A CA 0.582 51.921 52.037 -1.164 0.000 0.728 844 A CB 0.072 18.482 19.000 -0.984 0.000 0.814 844 A HN 0.240 nan 8.150 nan 0.000 0.464 845 L N -1.560 119.424 121.223 -0.399 0.000 3.429 845 L HA 0.208 4.548 4.340 -0.000 0.000 0.311 845 L C 1.013 177.753 176.870 -0.217 0.000 1.274 845 L CA -0.215 54.461 54.840 -0.275 0.000 1.037 845 L CB -0.151 41.766 42.059 -0.236 0.000 1.433 845 L HN 0.212 nan 8.230 nan 0.000 0.614 846 E N 1.945 122.023 120.200 -0.204 0.000 2.017 846 E HA -0.290 4.060 4.350 -0.000 0.000 0.220 846 E C 1.086 177.597 176.600 -0.148 0.000 1.032 846 E CA 2.194 58.498 56.400 -0.160 0.000 0.888 846 E CB -0.270 29.354 29.700 -0.127 0.000 0.801 846 E HN 0.613 nan 8.360 nan 0.000 0.503 847 D N 0.950 121.276 120.400 -0.123 0.000 2.421 847 D HA -0.165 4.475 4.640 -0.000 0.000 0.223 847 D C 0.395 176.611 176.300 -0.139 0.000 0.979 847 D CA 0.733 54.667 54.000 -0.111 0.000 0.959 847 D CB -0.686 40.072 40.800 -0.070 0.000 0.874 847 D HN 0.186 nan 8.370 nan 0.000 0.513 848 I N 1.050 121.520 120.570 -0.168 0.000 2.347 848 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 848 I C 0.470 176.435 176.117 -0.253 0.000 1.090 848 I CA -0.360 60.821 61.300 -0.198 0.000 1.314 848 I CB 0.165 38.048 38.000 -0.196 0.000 1.423 848 I HN 0.099 nan 8.210 nan 0.000 0.503 849 M N 5.490 124.905 119.600 -0.309 0.000 2.631 849 M HA 0.613 5.093 4.480 -0.000 0.000 0.288 849 M C -1.551 174.488 176.300 -0.435 0.000 1.260 849 M CA -0.841 54.241 55.300 -0.363 0.000 0.842 849 M CB 2.272 34.665 32.600 -0.344 0.000 1.743 849 M HN 0.035 nan 8.290 nan 0.000 0.461 850 V N 3.020 122.721 119.914 -0.354 0.000 2.488 850 V HA 0.265 4.385 4.120 -0.000 0.000 0.277 850 V C 0.045 175.971 176.094 -0.280 0.000 1.046 850 V CA -0.180 61.971 62.300 -0.249 0.000 0.986 850 V CB 0.294 32.045 31.823 -0.119 0.000 0.989 850 V HN 0.712 nan 8.190 nan 0.000 0.475 851 H N 3.547 122.580 119.070 -0.062 0.000 2.495 851 H HA 0.225 4.781 4.556 -0.000 0.000 0.350 851 H C 0.629 175.974 175.328 0.030 0.000 1.202 851 H CA -0.335 55.681 56.048 -0.054 0.000 1.322 851 H CB 0.847 30.604 29.762 -0.009 0.000 1.544 851 H HN 0.650 nan 8.280 nan 0.000 0.565 852 Y N 0.391 120.811 120.300 0.200 0.000 2.556 852 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 852 Y C 1.617 177.567 175.900 0.083 0.000 1.149 852 Y CA 0.852 59.020 58.100 0.113 0.000 1.329 852 Y CB 0.234 38.754 38.460 0.099 0.000 0.975 852 Y HN 0.638 nan 8.280 nan 0.000 0.561 853 D N -2.225 118.327 120.400 0.253 0.000 2.350 853 D HA -0.086 4.554 4.640 -0.000 0.000 0.213 853 D C 0.376 176.765 176.300 0.148 0.000 1.031 853 D CA 0.423 54.521 54.000 0.164 0.000 0.861 853 D CB -0.186 40.693 40.800 0.132 0.000 0.926 853 D HN 0.092 nan 8.370 nan 0.000 0.520 854 N N -1.133 117.663 118.700 0.160 0.000 2.999 854 N HA -0.154 4.586 4.740 -0.000 0.000 0.242 854 N C -0.691 174.895 175.510 0.127 0.000 1.016 854 N CA 0.992 54.119 53.050 0.128 0.000 0.894 854 N CB -1.671 36.881 38.487 0.107 0.000 1.113 854 N HN 0.417 nan 8.380 nan 0.000 0.555 855 T N -0.030 114.604 114.554 0.134 0.000 2.927 855 T HA 0.478 4.828 4.350 -0.000 0.000 0.281 855 T C -0.098 174.625 174.700 0.039 0.000 0.998 855 T CA 0.215 62.377 62.100 0.104 0.000 1.019 855 T CB 1.264 70.204 68.868 0.119 0.000 1.061 855 T HN 0.046 nan 8.240 nan 0.000 0.518 856 T N 4.854 119.387 114.554 -0.036 0.000 2.788 856 T HA 0.573 4.923 4.350 -0.000 0.000 0.296 856 T C -0.142 174.490 174.700 -0.113 0.000 1.009 856 T CA -0.586 61.448 62.100 -0.109 0.000 0.949 856 T CB 0.441 69.235 68.868 -0.123 0.000 0.946 856 T HN 0.539 nan 8.240 nan 0.000 0.453 857 R N 2.290 122.730 120.500 -0.100 0.000 3.003 857 R HA 0.594 4.934 4.340 -0.000 0.000 0.251 857 R C -0.098 176.160 176.300 -0.070 0.000 1.265 857 R CA -1.153 54.926 56.100 -0.036 0.000 1.026 857 R CB 1.415 31.799 30.300 0.138 0.000 1.307 857 R HN 0.732 nan 8.270 nan 0.000 0.475 858 N N -1.779 116.915 118.700 -0.010 0.000 3.201 858 N HA 0.145 4.885 4.740 -0.000 0.000 0.344 858 N C 0.089 175.616 175.510 0.029 0.000 1.465 858 N CA -0.726 52.310 53.050 -0.023 0.000 0.731 858 N CB 1.116 39.582 38.487 -0.035 0.000 1.677 858 N HN 0.430 nan 8.380 nan 0.000 0.631 859 S N -0.702 115.004 115.700 0.010 0.000 2.641 859 S HA 0.038 4.508 4.470 -0.000 0.000 0.239 859 S C 1.059 175.673 174.600 0.023 0.000 0.972 859 S CA 0.328 58.540 58.200 0.019 0.000 0.954 859 S CB -0.740 62.465 63.200 0.008 0.000 0.767 859 S HN 0.485 nan 8.310 nan 0.000 0.539 860 L N -0.247 120.990 121.223 0.025 0.000 3.086 860 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 860 L C 1.599 178.478 176.870 0.015 0.000 1.184 860 L CA 0.203 55.054 54.840 0.018 0.000 1.002 860 L CB 0.029 42.100 42.059 0.020 0.000 1.383 860 L HN 0.472 nan 8.230 nan 0.000 0.582 861 G N 0.750 109.568 108.800 0.029 0.000 2.168 861 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 861 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 861 G C 0.062 174.968 174.900 0.010 0.000 0.977 861 G CA 0.167 45.276 45.100 0.016 0.000 0.659 861 G HN 0.408 nan 8.290 nan 0.000 0.533 862 N N 0.550 119.253 118.700 0.005 0.000 2.438 862 N HA 0.355 5.095 4.740 -0.000 0.000 0.267 862 N C 0.704 176.180 175.510 -0.057 0.000 1.222 862 N CA 0.009 53.050 53.050 -0.015 0.000 0.930 862 N CB 1.215 39.697 38.487 -0.009 0.000 1.083 862 N HN 0.213 nan 8.380 nan 0.000 0.476 863 V N 3.649 123.502 119.914 -0.102 0.000 2.694 863 V HA -0.029 4.091 4.120 -0.000 0.000 0.306 863 V C 1.600 177.523 176.094 -0.286 0.000 1.054 863 V CA 0.605 62.752 62.300 -0.255 0.000 1.161 863 V CB 0.156 31.690 31.823 -0.481 0.000 0.916 863 V HN 0.625 nan 8.190 nan 0.000 0.490 864 I N 2.184 122.581 120.570 -0.288 0.000 4.433 864 I HA 0.209 4.379 4.170 -0.000 0.000 0.322 864 I C 0.318 176.284 176.117 -0.251 0.000 1.284 864 I CA 0.296 61.467 61.300 -0.216 0.000 1.269 864 I CB 0.397 38.309 38.000 -0.147 0.000 1.219 864 I HN 0.605 nan 8.210 nan 0.000 0.436 865 Q N 0.047 119.658 119.800 -0.315 0.000 2.313 865 Q HA 0.293 4.633 4.340 -0.000 0.000 0.255 865 Q C -0.571 175.291 176.000 -0.231 0.000 0.944 865 Q CA -0.399 55.276 55.803 -0.214 0.000 0.881 865 Q CB 1.931 30.641 28.738 -0.048 0.000 1.375 865 Q HN 0.012 nan 8.270 nan 0.000 0.422 866 F N 0.779 120.755 119.950 0.043 0.000 2.293 866 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 866 F C 0.786 176.622 175.800 0.059 0.000 1.086 866 F CA 0.831 58.860 58.000 0.049 0.000 1.375 866 F CB 0.375 39.400 39.000 0.041 0.000 1.045 866 F HN 0.382 nan 8.300 nan 0.000 0.516 867 I N -0.792 119.906 120.570 0.213 0.000 2.503 867 I HA 0.090 4.260 4.170 -0.000 0.000 0.282 867 I C -0.765 175.436 176.117 0.139 0.000 1.059 867 I CA -1.271 60.120 61.300 0.152 0.000 1.081 867 I CB 0.524 38.600 38.000 0.126 0.000 1.210 867 I HN -0.118 nan 8.210 nan 0.000 0.450 868 Y N 7.035 127.328 120.300 -0.012 0.000 2.910 868 Y HA 0.185 4.735 4.550 -0.000 0.000 0.358 868 Y C 1.386 177.254 175.900 -0.053 0.000 1.293 868 Y CA 0.990 59.059 58.100 -0.051 0.000 1.630 868 Y CB -0.302 38.120 38.460 -0.064 0.000 1.178 868 Y HN 0.922 nan 8.280 nan 0.000 0.550 869 G N 4.743 113.583 108.800 0.067 0.000 2.160 869 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.251 869 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.251 869 G C 0.291 175.158 174.900 -0.055 0.000 1.008 869 G CA 0.341 45.327 45.100 -0.190 0.000 0.724 869 G HN 0.948 nan 8.290 nan 0.000 0.514 870 E N -1.076 119.137 120.200 0.022 0.000 2.539 870 E HA -0.269 4.081 4.350 -0.000 0.000 0.253 870 E C 0.931 177.553 176.600 0.037 0.000 1.145 870 E CA 1.226 57.667 56.400 0.070 0.000 0.738 870 E CB -0.718 29.058 29.700 0.128 0.000 1.308 870 E HN 0.994 nan 8.360 nan 0.000 0.409 871 D N -2.902 117.488 120.400 -0.017 0.000 2.289 871 D HA 0.005 4.645 4.640 -0.000 0.000 0.586 871 D C 0.932 177.183 176.300 -0.081 0.000 0.915 871 D CA 0.457 54.438 54.000 -0.032 0.000 1.135 871 D CB -0.758 40.011 40.800 -0.051 0.000 1.488 871 D HN 0.428 nan 8.370 nan 0.000 0.398 872 G N 1.507 110.237 108.800 -0.117 0.000 2.283 872 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 872 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 872 G C -0.086 174.696 174.900 -0.197 0.000 1.029 872 G CA 1.037 46.071 45.100 -0.111 0.000 0.840 872 G HN 0.390 nan 8.290 nan 0.000 0.505 873 M N 0.333 119.750 119.600 -0.305 0.000 2.472 873 M HA 0.473 4.953 4.480 -0.000 0.000 0.331 873 M C -0.101 176.022 176.300 -0.296 0.000 1.170 873 M CA -1.689 53.427 55.300 -0.306 0.000 1.009 873 M CB 1.527 33.955 32.600 -0.288 0.000 1.672 873 M HN 0.147 nan 8.290 nan 0.000 0.453 874 D N 2.013 122.271 120.400 -0.238 0.000 2.325 874 D HA 0.334 4.973 4.640 -0.000 0.000 0.251 874 D C 0.789 177.029 176.300 -0.100 0.000 1.196 874 D CA 0.233 54.138 54.000 -0.157 0.000 0.866 874 D CB 1.265 41.903 40.800 -0.270 0.000 1.101 874 D HN 0.719 nan 8.370 nan 0.000 0.476 875 A N 4.789 127.588 122.820 -0.034 0.000 1.923 875 A HA -0.313 4.007 4.320 -0.000 0.000 0.222 875 A C 2.161 179.802 177.584 0.096 0.000 1.258 875 A CA 2.854 54.905 52.037 0.023 0.000 0.670 875 A CB -1.080 17.982 19.000 0.103 0.000 0.834 875 A HN 0.763 nan 8.150 nan 0.000 0.470 876 A N -1.512 121.388 122.820 0.133 0.000 2.084 876 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 876 A C 1.434 179.217 177.584 0.333 0.000 1.161 876 A CA 1.436 53.611 52.037 0.231 0.000 0.653 876 A CB -0.904 18.243 19.000 0.245 0.000 0.802 876 A HN 0.799 nan 8.150 nan 0.000 0.457 877 H N -0.948 118.129 119.070 0.010 0.000 2.595 877 H HA 0.490 5.046 4.556 -0.000 0.000 0.264 877 H C -0.905 174.409 175.328 -0.024 0.000 1.503 877 H CA -0.435 55.598 56.048 -0.024 0.000 1.142 877 H CB -0.246 29.468 29.762 -0.081 0.000 1.554 877 H HN 0.363 nan 8.280 nan 0.000 0.501 878 I N 0.690 121.350 120.570 0.151 0.000 2.722 878 I HA 0.296 4.466 4.170 -0.000 0.000 0.295 878 I C -0.816 175.409 176.117 0.180 0.000 1.161 878 I CA -0.864 60.510 61.300 0.124 0.000 1.032 878 I CB 2.845 40.906 38.000 0.101 0.000 1.244 878 I HN 0.193 nan 8.210 nan 0.000 0.421 879 E N 3.351 123.648 120.200 0.162 0.000 2.356 879 E HA 0.386 4.736 4.350 -0.000 0.000 0.275 879 E C -1.429 175.242 176.600 0.118 0.000 0.904 879 E CA -1.197 55.306 56.400 0.172 0.000 0.757 879 E CB 2.708 32.536 29.700 0.213 0.000 1.232 879 E HN 0.364 nan 8.360 nan 0.000 0.442 880 K N 2.431 122.871 120.400 0.067 0.000 2.419 880 K HA 0.031 4.351 4.320 -0.000 0.000 0.282 880 K C -0.125 176.500 176.600 0.042 0.000 1.056 880 K CA 0.379 56.680 56.287 0.023 0.000 1.035 880 K CB 0.388 32.846 32.500 -0.070 0.000 0.921 880 K HN 0.328 nan 8.250 nan 0.000 0.472 881 Q N 0.643 120.488 119.800 0.075 0.000 2.385 881 Q HA 0.369 4.709 4.340 -0.000 0.000 0.262 881 Q C -0.557 175.479 176.000 0.061 0.000 1.050 881 Q CA -0.779 55.070 55.803 0.076 0.000 0.903 881 Q CB 2.083 30.890 28.738 0.115 0.000 1.325 881 Q HN 0.678 nan 8.270 nan 0.000 0.485 882 S N -0.229 115.502 115.700 0.051 0.000 2.594 882 S HA 0.476 4.946 4.470 -0.000 0.000 0.296 882 S C -0.476 174.146 174.600 0.036 0.000 1.124 882 S CA -0.789 57.436 58.200 0.041 0.000 1.011 882 S CB 0.381 63.587 63.200 0.010 0.000 1.016 882 S HN 0.489 nan 8.310 nan 0.000 0.485 883 L N 3.863 125.100 121.223 0.022 0.000 2.395 883 L HA 0.237 4.577 4.340 -0.000 0.000 0.268 883 L C 0.716 177.572 176.870 -0.024 0.000 1.223 883 L CA -0.521 54.298 54.840 -0.035 0.000 1.093 883 L CB -0.346 41.630 42.059 -0.138 0.000 1.349 883 L HN 0.766 nan 8.230 nan 0.000 0.427 884 D N 0.388 120.808 120.400 0.033 0.000 2.203 884 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 884 D C 1.526 177.865 176.300 0.065 0.000 0.997 884 D CA 1.490 55.538 54.000 0.080 0.000 0.863 884 D CB 0.028 40.933 40.800 0.174 0.000 0.928 884 D HN 0.466 nan 8.370 nan 0.000 0.458 885 T N 0.786 115.341 114.554 0.002 0.000 3.118 885 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 885 T C 1.724 176.340 174.700 -0.140 0.000 1.166 885 T CA 0.239 62.285 62.100 -0.090 0.000 1.073 885 T CB 0.115 68.897 68.868 -0.142 0.000 0.884 885 T HN 0.282 nan 8.240 nan 0.000 0.550 886 I N -0.783 119.721 120.570 -0.110 0.000 3.534 886 I HA 0.370 4.540 4.170 -0.000 0.000 0.251 886 I C 1.490 177.543 176.117 -0.107 0.000 1.136 886 I CA 0.022 61.237 61.300 -0.142 0.000 1.475 886 I CB 0.041 37.935 38.000 -0.177 0.000 1.526 886 I HN 0.227 nan 8.210 nan 0.000 0.454 887 G N 0.338 109.078 108.800 -0.100 0.000 2.651 887 G HA2 0.443 4.403 3.960 -0.000 0.000 0.260 887 G HA3 0.443 4.403 3.960 -0.000 0.000 0.260 887 G C -0.150 174.759 174.900 0.015 0.000 1.216 887 G CA 0.471 45.516 45.100 -0.093 0.000 0.913 887 G HN 0.818 nan 8.290 nan 0.000 0.535 888 G N -1.471 107.362 108.800 0.055 0.000 2.662 888 G HA2 0.335 4.295 3.960 -0.000 0.000 0.686 888 G HA3 0.335 4.295 3.960 -0.000 0.000 0.686 888 G C 0.087 175.053 174.900 0.110 0.000 1.271 888 G CA 0.177 45.332 45.100 0.091 0.000 0.816 888 G HN 1.958 nan 8.290 nan 0.000 0.608 889 S N -0.038 115.727 115.700 0.107 0.000 2.593 889 S HA 0.413 4.883 4.470 -0.000 0.000 0.269 889 S C 0.988 175.657 174.600 0.115 0.000 1.334 889 S CA 0.521 58.780 58.200 0.098 0.000 1.015 889 S CB 1.709 64.960 63.200 0.084 0.000 0.912 889 S HN 0.601 nan 8.310 nan 0.000 0.541 890 D N 1.497 121.948 120.400 0.086 0.000 2.117 890 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 890 D C 2.170 178.570 176.300 0.168 0.000 0.987 890 D CA 1.604 55.661 54.000 0.096 0.000 0.829 890 D CB -0.557 40.276 40.800 0.056 0.000 0.961 890 D HN 0.713 nan 8.370 nan 0.000 0.460 891 A N 1.570 124.466 122.820 0.126 0.000 1.834 891 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 891 A C 2.425 180.091 177.584 0.137 0.000 1.203 891 A CA 2.819 54.927 52.037 0.118 0.000 0.621 891 A CB -1.168 17.881 19.000 0.082 0.000 0.841 891 A HN 0.244 nan 8.150 nan 0.000 0.446 892 A N -1.350 121.544 122.820 0.123 0.000 1.927 892 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 892 A C 2.080 179.761 177.584 0.162 0.000 1.185 892 A CA 2.101 54.207 52.037 0.115 0.000 0.639 892 A CB -0.890 18.172 19.000 0.104 0.000 0.820 892 A HN 0.851 nan 8.150 nan 0.000 0.451 893 F N 0.574 120.564 119.950 0.067 0.000 2.046 893 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 893 F C 2.234 178.116 175.800 0.136 0.000 1.123 893 F CA 2.462 60.504 58.000 0.069 0.000 1.199 893 F CB -0.584 38.398 39.000 -0.030 0.000 0.972 893 F HN 0.457 nan 8.300 nan 0.000 0.474 894 E N 0.562 120.920 120.200 0.264 0.000 2.048 894 E HA -0.388 3.962 4.350 -0.000 0.000 0.202 894 E C 2.360 178.993 176.600 0.056 0.000 1.021 894 E CA 2.090 58.631 56.400 0.235 0.000 0.825 894 E CB -0.403 29.458 29.700 0.268 0.000 0.756 894 E HN 0.496 nan 8.360 nan 0.000 0.454 895 K N 0.601 121.009 120.400 0.013 0.000 2.001 895 K HA -0.320 4.000 4.320 -0.000 0.000 0.223 895 K C 2.404 178.950 176.600 -0.091 0.000 1.055 895 K CA 2.306 58.554 56.287 -0.065 0.000 0.965 895 K CB -0.343 32.136 32.500 -0.035 0.000 0.730 895 K HN 0.027 nan 8.250 nan 0.000 0.449 896 R N -0.942 119.511 120.500 -0.079 0.000 2.122 896 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 896 R C 2.205 178.338 176.300 -0.278 0.000 1.129 896 R CA 2.434 58.429 56.100 -0.176 0.000 0.925 896 R CB -0.408 29.814 30.300 -0.130 0.000 0.850 896 R HN 0.411 nan 8.270 nan 0.000 0.431 897 Y N -0.526 119.543 120.300 -0.385 0.000 2.511 897 Y HA 0.162 4.712 4.550 -0.000 0.000 0.279 897 Y C 0.604 176.452 175.900 -0.087 0.000 1.157 897 Y CA -0.122 57.771 58.100 -0.345 0.000 1.300 897 Y CB -0.069 37.999 38.460 -0.653 0.000 1.052 897 Y HN -0.049 nan 8.280 nan 0.000 0.529 898 R N 1.237 121.848 120.500 0.185 0.000 2.389 898 R HA 0.405 4.744 4.340 -0.000 0.000 0.295 898 R C -1.411 174.915 176.300 0.043 0.000 1.075 898 R CA -0.142 56.107 56.100 0.249 0.000 1.005 898 R CB 0.192 30.547 30.300 0.090 0.000 0.987 898 R HN -0.077 nan 8.270 nan 0.000 0.452 899 V N 4.878 124.822 119.914 0.051 0.000 2.531 899 V HA 0.327 4.447 4.120 -0.000 0.000 0.301 899 V C -0.927 175.165 176.094 -0.003 0.000 1.034 899 V CA -0.769 61.537 62.300 0.010 0.000 0.865 899 V CB 1.875 33.709 31.823 0.019 0.000 0.995 899 V HN 0.763 nan 8.190 nan 0.000 0.424 900 D N 4.274 124.683 120.400 0.014 0.000 2.421 900 D HA 0.352 4.992 4.640 -0.000 0.000 0.254 900 D C 0.343 176.655 176.300 0.019 0.000 1.238 900 D CA -0.324 53.689 54.000 0.022 0.000 0.919 900 D CB 1.804 42.654 40.800 0.083 0.000 1.152 900 D HN 0.438 nan 8.370 nan 0.000 0.552 901 L N 3.366 124.590 121.223 0.003 0.000 2.645 901 L HA 0.172 4.512 4.340 -0.000 0.000 0.235 901 L C 1.072 177.939 176.870 -0.006 0.000 1.150 901 L CA 0.360 55.199 54.840 -0.002 0.000 0.911 901 L CB 0.135 42.190 42.059 -0.006 0.000 1.077 901 L HN 0.349 nan 8.230 nan 0.000 0.438 902 L N -0.710 120.508 121.223 -0.008 0.000 3.202 902 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 902 L C -0.167 176.687 176.870 -0.026 0.000 1.268 902 L CA 0.016 54.845 54.840 -0.017 0.000 1.034 902 L CB -0.009 42.037 42.059 -0.021 0.000 1.407 902 L HN 0.225 nan 8.230 nan 0.000 0.581 903 N N -1.105 117.584 118.700 -0.019 0.000 2.371 903 N HA 0.159 4.899 4.740 -0.000 0.000 0.280 903 N C 0.324 175.823 175.510 -0.017 0.000 1.084 903 N CA -0.234 52.792 53.050 -0.039 0.000 0.892 903 N CB 1.968 40.409 38.487 -0.077 0.000 1.653 903 N HN -0.145 nan 8.380 nan 0.000 0.480 904 T N 0.186 114.722 114.554 -0.030 0.000 3.113 904 T HA 0.017 4.367 4.350 -0.000 0.000 0.263 904 T C 0.078 174.782 174.700 0.006 0.000 1.143 904 T CA 0.781 62.874 62.100 -0.012 0.000 1.090 904 T CB -0.013 68.844 68.868 -0.018 0.000 0.922 904 T HN 0.517 nan 8.240 nan 0.000 0.521 905 D N -0.252 120.155 120.400 0.011 0.000 2.500 905 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 905 D C 0.521 177.016 176.300 0.325 0.000 1.140 905 D CA 0.202 54.257 54.000 0.091 0.000 0.830 905 D CB 0.393 41.210 40.800 0.029 0.000 1.055 905 D HN 0.336 nan 8.370 nan 0.000 0.512 906 H N -0.440 118.616 119.070 -0.024 0.000 2.785 906 H HA 0.260 4.816 4.556 -0.000 0.000 0.268 906 H C -0.070 175.239 175.328 -0.030 0.000 1.153 906 H CA -0.157 55.874 56.048 -0.028 0.000 1.111 906 H CB 0.716 30.456 29.762 -0.036 0.000 1.633 906 H HN -0.148 nan 8.280 nan 0.000 0.576 907 T N 1.239 115.844 114.554 0.085 0.000 2.928 907 T HA 0.411 4.761 4.350 -0.000 0.000 0.284 907 T C 0.212 174.918 174.700 0.010 0.000 1.008 907 T CA -0.760 61.359 62.100 0.032 0.000 1.057 907 T CB 0.642 69.520 68.868 0.017 0.000 1.018 907 T HN 0.138 nan 8.240 nan 0.000 0.493 908 L N 3.536 124.755 121.223 -0.007 0.000 2.534 908 L HA 0.163 4.503 4.340 -0.000 0.000 0.271 908 L C 1.043 177.905 176.870 -0.014 0.000 1.178 908 L CA -0.282 54.546 54.840 -0.020 0.000 0.907 908 L CB -0.063 41.979 42.059 -0.028 0.000 1.164 908 L HN 0.610 nan 8.230 nan 0.000 0.482 909 D N 6.881 127.273 120.400 -0.014 0.000 2.458 909 D HA 0.011 4.651 4.640 -0.000 0.000 0.243 909 D C -1.384 174.909 176.300 -0.012 0.000 1.146 909 D CA -1.212 52.782 54.000 -0.009 0.000 0.877 909 D CB 1.526 42.321 40.800 -0.009 0.000 1.176 909 D HN 0.383 nan 8.370 nan 0.000 0.461 910 P HA -0.113 nan 4.420 nan 0.000 0.236 910 P C 0.994 178.289 177.300 -0.009 0.000 1.172 910 P CA 0.482 63.576 63.100 -0.010 0.000 0.759 910 P CB 0.041 31.736 31.700 -0.008 0.000 0.843 911 S N -1.226 114.470 115.700 -0.007 0.000 2.461 911 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 911 S C 1.837 176.435 174.600 -0.003 0.000 1.005 911 S CA 0.298 58.496 58.200 -0.003 0.000 0.942 911 S CB -1.031 62.169 63.200 -0.000 0.000 0.776 911 S HN 0.112 nan 8.310 nan 0.000 0.514 912 L N -0.034 121.184 121.223 -0.009 0.000 2.117 912 L HA 0.369 4.709 4.340 -0.000 0.000 0.200 912 L C 1.036 177.896 176.870 -0.017 0.000 1.110 912 L CA -0.099 54.734 54.840 -0.011 0.000 0.774 912 L CB -0.781 41.266 42.059 -0.021 0.000 0.934 912 L HN 0.299 nan 8.230 nan 0.000 0.456 913 L N 0.900 122.108 121.223 -0.025 0.000 2.426 913 L HA 0.019 4.359 4.340 -0.000 0.000 0.271 913 L C 1.191 178.047 176.870 -0.023 0.000 1.169 913 L CA 0.547 55.369 54.840 -0.030 0.000 0.836 913 L CB 0.607 42.644 42.059 -0.037 0.000 1.112 913 L HN 0.220 nan 8.230 nan 0.000 0.465 914 E N 1.124 121.309 120.200 -0.025 0.000 2.072 914 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 914 E C 1.082 177.671 176.600 -0.018 0.000 0.985 914 E CA 1.212 57.601 56.400 -0.019 0.000 0.801 914 E CB 0.160 29.849 29.700 -0.019 0.000 0.750 914 E HN 0.865 nan 8.360 nan 0.000 0.452 915 S N -0.371 115.315 115.700 -0.023 0.000 2.763 915 S HA 0.187 4.657 4.470 -0.000 0.000 0.237 915 S C 1.423 176.011 174.600 -0.020 0.000 0.966 915 S CA -0.072 58.116 58.200 -0.021 0.000 1.017 915 S CB 0.325 63.510 63.200 -0.025 0.000 0.780 915 S HN 0.362 nan 8.310 nan 0.000 0.476 916 G N 3.595 112.384 108.800 -0.019 0.000 2.777 916 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 916 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 916 G C 1.756 176.648 174.900 -0.014 0.000 1.295 916 G CA 1.792 46.882 45.100 -0.017 0.000 0.800 916 G HN 0.816 nan 8.290 nan 0.000 0.637 917 S N 1.611 117.305 115.700 -0.011 0.000 2.365 917 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 917 S C 2.122 176.716 174.600 -0.010 0.000 1.039 917 S CA 2.078 60.273 58.200 -0.010 0.000 1.033 917 S CB -0.722 62.473 63.200 -0.008 0.000 0.887 917 S HN 0.802 nan 8.310 nan 0.000 0.447 918 E N 1.003 121.196 120.200 -0.011 0.000 2.510 918 E HA 0.006 4.356 4.350 -0.000 0.000 0.202 918 E C 1.631 178.224 176.600 -0.012 0.000 1.072 918 E CA 0.860 57.254 56.400 -0.011 0.000 0.883 918 E CB -0.455 29.238 29.700 -0.011 0.000 0.818 918 E HN 0.699 nan 8.360 nan 0.000 0.548 919 I N 0.345 120.907 120.570 -0.013 0.000 3.039 919 I HA 0.040 4.210 4.170 -0.000 0.000 0.270 919 I C 1.295 177.405 176.117 -0.012 0.000 1.150 919 I CA -0.364 60.927 61.300 -0.014 0.000 1.448 919 I CB 0.162 38.151 38.000 -0.017 0.000 1.197 919 I HN 0.187 nan 8.210 nan 0.000 0.450 920 L N 2.230 123.447 121.223 -0.011 0.000 2.742 920 L HA -0.184 4.156 4.340 -0.000 0.000 0.297 920 L C 1.313 178.177 176.870 -0.010 0.000 1.238 920 L CA 1.318 56.153 54.840 -0.009 0.000 0.895 920 L CB 0.184 42.237 42.059 -0.009 0.000 1.166 920 L HN 0.625 nan 8.230 nan 0.000 0.494 921 G N 2.597 111.391 108.800 -0.010 0.000 2.396 921 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.242 921 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.242 921 G C 0.402 175.296 174.900 -0.010 0.000 1.069 921 G CA 0.277 45.371 45.100 -0.011 0.000 0.633 921 G HN 0.827 nan 8.290 nan 0.000 0.517 922 D N 1.431 121.825 120.400 -0.010 0.000 2.899 922 D HA 0.044 4.684 4.640 -0.000 0.000 0.254 922 D C 1.850 178.145 176.300 -0.008 0.000 1.320 922 D CA 0.525 54.519 54.000 -0.009 0.000 0.929 922 D CB -0.113 40.681 40.800 -0.010 0.000 1.148 922 D HN 0.387 nan 8.370 nan 0.000 0.571 923 L N 3.933 125.151 121.223 -0.008 0.000 2.141 923 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 923 L C 2.457 179.324 176.870 -0.005 0.000 1.094 923 L CA 0.899 55.735 54.840 -0.007 0.000 0.763 923 L CB -0.090 41.965 42.059 -0.007 0.000 0.908 923 L HN 0.323 nan 8.230 nan 0.000 0.437 924 K N -0.225 120.172 120.400 -0.005 0.000 2.288 924 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 924 K C 1.989 178.587 176.600 -0.003 0.000 1.048 924 K CA 0.845 57.130 56.287 -0.004 0.000 0.956 924 K CB 0.073 32.571 32.500 -0.004 0.000 0.746 924 K HN 0.318 nan 8.250 nan 0.000 0.461 925 L N 0.546 121.766 121.223 -0.005 0.000 2.102 925 L HA -0.094 4.246 4.340 -0.000 0.000 0.202 925 L C 2.282 179.152 176.870 -0.001 0.000 1.076 925 L CA 0.706 55.542 54.840 -0.005 0.000 0.761 925 L CB -0.350 41.703 42.059 -0.010 0.000 0.921 925 L HN 0.148 nan 8.230 nan 0.000 0.444 926 Q N 0.118 119.916 119.800 -0.002 0.000 2.515 926 Q HA -0.133 4.207 4.340 -0.000 0.000 0.215 926 Q C 2.075 178.078 176.000 0.005 0.000 0.983 926 Q CA 0.938 56.741 55.803 -0.000 0.000 0.905 926 Q CB -0.183 28.551 28.738 -0.006 0.000 0.961 926 Q HN 0.407 nan 8.270 nan 0.000 0.503 927 V N -0.192 119.726 119.914 0.006 0.000 2.488 927 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 927 V C 2.204 178.309 176.094 0.019 0.000 1.046 927 V CA 1.017 63.323 62.300 0.010 0.000 1.053 927 V CB -0.362 31.465 31.823 0.007 0.000 0.679 927 V HN 0.267 nan 8.190 nan 0.000 0.458 928 L N -0.794 120.439 121.223 0.017 0.000 2.095 928 L HA -0.027 4.313 4.340 -0.000 0.000 0.204 928 L C 2.406 179.299 176.870 0.037 0.000 1.080 928 L CA 0.739 55.593 54.840 0.023 0.000 0.759 928 L CB -0.503 41.564 42.059 0.013 0.000 0.914 928 L HN 0.256 nan 8.230 nan 0.000 0.439 929 L N -0.023 121.220 121.223 0.033 0.000 2.187 929 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 929 L C 1.930 178.851 176.870 0.085 0.000 1.100 929 L CA 1.755 56.626 54.840 0.051 0.000 0.765 929 L CB -1.040 41.036 42.059 0.029 0.000 0.904 929 L HN 0.356 nan 8.230 nan 0.000 0.437 930 D N -1.162 119.274 120.400 0.061 0.000 2.301 930 D HA -0.105 4.535 4.640 -0.000 0.000 0.206 930 D C 2.022 178.381 176.300 0.099 0.000 0.979 930 D CA 0.354 54.397 54.000 0.073 0.000 0.874 930 D CB 0.376 41.192 40.800 0.027 0.000 0.968 930 D HN 0.394 nan 8.370 nan 0.000 0.510 931 E N 1.111 121.354 120.200 0.071 0.000 2.152 931 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 931 E C 1.758 178.404 176.600 0.077 0.000 0.983 931 E CA 0.668 57.105 56.400 0.063 0.000 0.818 931 E CB 0.324 30.048 29.700 0.041 0.000 0.758 931 E HN 0.301 nan 8.360 nan 0.000 0.467 932 E N -0.292 119.961 120.200 0.089 0.000 2.011 932 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 932 E C 2.031 178.708 176.600 0.128 0.000 0.980 932 E CA 0.735 57.188 56.400 0.089 0.000 0.814 932 E CB -0.536 29.213 29.700 0.082 0.000 0.775 932 E HN 0.326 nan 8.360 nan 0.000 0.454 933 Y N 1.396 121.723 120.300 0.044 0.000 2.219 933 Y HA -0.292 4.258 4.550 -0.000 0.000 0.283 933 Y C 2.199 178.147 175.900 0.080 0.000 1.191 933 Y CA 2.050 60.188 58.100 0.063 0.000 1.199 933 Y CB 0.098 38.589 38.460 0.052 0.000 0.972 933 Y HN 0.033 nan 8.280 nan 0.000 0.527 934 K N -0.519 120.049 120.400 0.279 0.000 2.097 934 K HA -0.248 4.072 4.320 -0.000 0.000 0.205 934 K C 2.155 178.809 176.600 0.090 0.000 1.050 934 K CA 1.464 57.867 56.287 0.194 0.000 0.938 934 K CB -0.109 32.470 32.500 0.132 0.000 0.718 934 K HN 0.280 nan 8.250 nan 0.000 0.442 935 Q N 1.181 121.018 119.800 0.061 0.000 2.046 935 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 935 Q C 1.779 177.770 176.000 -0.014 0.000 0.975 935 Q CA 1.444 57.261 55.803 0.023 0.000 0.836 935 Q CB -0.255 28.494 28.738 0.018 0.000 0.896 935 Q HN 0.277 nan 8.270 nan 0.000 0.428 936 L N -0.382 120.818 121.223 -0.039 0.000 2.351 936 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 936 L C 1.875 178.705 176.870 -0.066 0.000 1.127 936 L CA 0.593 55.387 54.840 -0.077 0.000 0.786 936 L CB -0.232 41.734 42.059 -0.155 0.000 0.914 936 L HN 0.155 nan 8.230 nan 0.000 0.443 937 V N -0.964 118.904 119.914 -0.076 0.000 2.825 937 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 937 V C 2.356 178.396 176.094 -0.090 0.000 1.068 937 V CA 0.958 63.181 62.300 -0.129 0.000 1.088 937 V CB -0.135 31.667 31.823 -0.035 0.000 0.733 937 V HN 0.372 nan 8.190 nan 0.000 0.468 938 K N 0.549 120.935 120.400 -0.024 0.000 2.147 938 K HA -0.251 4.069 4.320 -0.000 0.000 0.205 938 K C 1.611 178.233 176.600 0.038 0.000 1.049 938 K CA 2.068 58.363 56.287 0.013 0.000 0.936 938 K CB -0.133 32.392 32.500 0.042 0.000 0.722 938 K HN 0.449 nan 8.250 nan 0.000 0.446 939 D N 0.155 120.546 120.400 -0.016 0.000 2.078 939 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 939 D C 1.927 178.183 176.300 -0.075 0.000 0.990 939 D CA 1.202 55.172 54.000 -0.051 0.000 0.827 939 D CB -0.099 40.628 40.800 -0.121 0.000 0.975 939 D HN 0.094 nan 8.370 nan 0.000 0.451 940 R N 0.987 121.377 120.500 -0.183 0.000 2.136 940 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 940 R C 1.826 178.051 176.300 -0.125 0.000 1.131 940 R CA 1.661 57.605 56.100 -0.261 0.000 0.937 940 R CB -0.131 29.861 30.300 -0.515 0.000 0.863 940 R HN 0.007 nan 8.270 nan 0.000 0.435 941 K N -0.332 120.015 120.400 -0.089 0.000 2.057 941 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 941 K C 2.148 178.769 176.600 0.035 0.000 1.049 941 K CA 1.733 57.998 56.287 -0.037 0.000 0.931 941 K CB -0.764 31.707 32.500 -0.048 0.000 0.714 941 K HN 0.314 nan 8.250 nan 0.000 0.440 942 F N 1.902 121.794 119.950 -0.097 0.000 2.069 942 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 942 F C 2.082 177.831 175.800 -0.084 0.000 1.113 942 F CA 1.115 59.066 58.000 -0.081 0.000 1.214 942 F CB -0.050 38.898 39.000 -0.086 0.000 0.978 942 F HN -0.113 nan 8.300 nan 0.000 0.474 943 L N -0.005 121.347 121.223 0.215 0.000 2.017 943 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 943 L C 2.303 179.212 176.870 0.065 0.000 1.073 943 L CA 1.397 56.234 54.840 -0.006 0.000 0.745 943 L CB -0.877 41.034 42.059 -0.247 0.000 0.894 943 L HN 0.067 nan 8.230 nan 0.000 0.432 944 R N -0.048 120.489 120.500 0.063 0.000 2.357 944 R HA -0.125 4.215 4.340 -0.000 0.000 0.202 944 R C 1.695 178.062 176.300 0.111 0.000 1.047 944 R CA 0.476 56.650 56.100 0.123 0.000 1.034 944 R CB -0.065 30.309 30.300 0.124 0.000 0.875 944 R HN 0.451 nan 8.270 nan 0.000 0.473 945 E N -0.195 120.061 120.200 0.094 0.000 2.460 945 E HA 0.002 4.352 4.350 -0.000 0.000 0.200 945 E C 0.916 177.545 176.600 0.049 0.000 1.011 945 E CA 0.127 56.542 56.400 0.026 0.000 0.912 945 E CB 0.712 30.366 29.700 -0.077 0.000 0.953 945 E HN 0.073 nan 8.360 nan 0.000 0.494 946 V N 0.021 120.042 119.914 0.179 0.000 3.151 946 V HA 0.098 4.218 4.120 -0.000 0.000 0.241 946 V C 0.199 176.328 176.094 0.060 0.000 1.173 946 V CA 0.360 62.759 62.300 0.165 0.000 1.154 946 V CB 0.255 32.309 31.823 0.384 0.000 0.898 946 V HN 0.123 nan 8.190 nan 0.000 0.473 947 F N 0.590 120.459 119.950 -0.136 0.000 2.732 947 F HA 0.428 4.955 4.527 -0.000 0.000 0.312 947 F C 1.401 177.199 175.800 -0.004 0.000 1.240 947 F CA -1.111 56.805 58.000 -0.140 0.000 1.211 947 F CB -0.423 38.448 39.000 -0.215 0.000 1.331 947 F HN -0.177 nan 8.300 nan 0.000 0.537 948 V N -0.549 119.440 119.914 0.126 0.000 2.357 948 V HA -0.400 3.720 4.120 -0.000 0.000 0.257 948 V C 2.422 178.657 176.094 0.235 0.000 1.082 948 V CA 2.297 64.680 62.300 0.138 0.000 1.078 948 V CB -0.343 31.508 31.823 0.045 0.000 0.663 948 V HN 0.525 nan 8.190 nan 0.000 0.455 949 D N 0.130 120.648 120.400 0.197 0.000 2.120 949 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 949 D C 1.826 178.261 176.300 0.224 0.000 0.994 949 D CA 2.609 56.738 54.000 0.216 0.000 0.838 949 D CB -0.138 40.783 40.800 0.202 0.000 0.976 949 D HN 0.603 nan 8.370 nan 0.000 0.447 950 G N 0.102 108.936 108.800 0.057 0.000 2.318 950 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.172 950 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.172 950 G C 0.002 174.812 174.900 -0.149 0.000 1.002 950 G CA 0.356 45.172 45.100 -0.473 0.000 0.697 950 G HN 0.389 nan 8.290 nan 0.000 0.483 951 E N 1.203 121.500 120.200 0.162 0.000 2.493 951 E HA 0.582 4.932 4.350 -0.000 0.000 0.255 951 E C 1.173 178.060 176.600 0.478 0.000 0.999 951 E CA 0.908 57.458 56.400 0.251 0.000 0.934 951 E CB 0.869 30.782 29.700 0.355 0.000 0.940 951 E HN 0.669 nan 8.360 nan 0.000 0.473 952 A N 5.114 128.040 122.820 0.177 0.000 2.303 952 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 952 A C 0.037 177.719 177.584 0.164 0.000 1.205 952 A CA -0.276 51.870 52.037 0.182 0.000 0.875 952 A CB 0.096 19.103 19.000 0.011 0.000 0.910 952 A HN 0.542 nan 8.150 nan 0.000 0.501 953 N N 0.218 118.825 118.700 -0.154 0.000 2.426 953 N HA 0.414 5.154 4.740 -0.000 0.000 0.257 953 N C -1.640 173.429 175.510 -0.735 0.000 1.002 953 N CA 0.173 53.056 53.050 -0.278 0.000 0.942 953 N CB 0.751 39.074 38.487 -0.274 0.000 1.112 953 N HN 0.419 nan 8.380 nan 0.000 0.499 954 W N 1.635 122.952 121.300 0.028 0.000 3.083 954 W HA 0.388 5.048 4.660 -0.000 0.000 0.333 954 W C -2.186 174.374 176.519 0.068 0.000 1.217 954 W CA -1.701 55.687 57.345 0.072 0.000 1.170 954 W CB 0.811 30.362 29.460 0.153 0.000 1.437 954 W HN 0.269 nan 8.180 nan 0.000 0.557 955 P HA 0.229 nan 4.420 nan 0.000 0.271 955 P C -0.893 176.533 177.300 0.211 0.000 1.233 955 P CA 0.569 63.803 63.100 0.224 0.000 0.764 955 P CB 0.989 32.840 31.700 0.253 0.000 0.825 956 L N 5.822 127.147 121.223 0.170 0.000 2.493 956 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 956 L C -2.301 174.622 176.870 0.088 0.000 0.954 956 L CA -2.668 52.264 54.840 0.153 0.000 0.844 956 L CB 3.263 45.464 42.059 0.236 0.000 1.302 956 L HN 0.171 nan 8.230 nan 0.000 0.405 957 P HA 0.008 nan 4.420 nan 0.000 0.269 957 P C -0.381 176.846 177.300 -0.122 0.000 1.211 957 P CA 0.234 63.235 63.100 -0.165 0.000 0.781 957 P CB 0.992 32.437 31.700 -0.425 0.000 0.877 958 V N -0.091 119.778 119.914 -0.076 0.000 3.548 958 V HA -0.218 3.902 4.120 -0.000 0.000 0.496 958 V C 0.575 176.738 176.094 0.115 0.000 0.682 958 V CA 0.353 62.673 62.300 0.032 0.000 2.033 958 V CB -1.356 30.545 31.823 0.130 0.000 2.463 958 V HN 0.902 nan 8.190 nan 0.000 0.506 959 N N 5.451 124.183 118.700 0.054 0.000 2.555 959 N HA 0.275 5.015 4.740 -0.000 0.000 0.244 959 N C 0.887 176.420 175.510 0.040 0.000 1.114 959 N CA -0.058 53.026 53.050 0.057 0.000 0.963 959 N CB 0.579 39.081 38.487 0.024 0.000 1.276 959 N HN 0.718 nan 8.380 nan 0.000 0.510 960 I N 2.039 122.651 120.570 0.070 0.000 2.493 960 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 960 I C 2.382 178.473 176.117 -0.043 0.000 1.160 960 I CA 0.465 61.770 61.300 0.010 0.000 1.445 960 I CB -0.004 38.007 38.000 0.017 0.000 1.086 960 I HN 0.526 nan 8.210 nan 0.000 0.433 961 R N 1.396 121.890 120.500 -0.010 0.000 2.082 961 R HA -0.178 4.162 4.340 -0.000 0.000 0.228 961 R C 2.480 178.748 176.300 -0.054 0.000 1.140 961 R CA 1.693 57.780 56.100 -0.021 0.000 0.920 961 R CB -0.192 30.118 30.300 0.017 0.000 0.828 961 R HN 0.168 nan 8.270 nan 0.000 0.430 962 R N 0.344 120.825 120.500 -0.030 0.000 2.080 962 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 962 R C 2.501 178.763 176.300 -0.064 0.000 1.137 962 R CA 1.781 57.854 56.100 -0.045 0.000 0.943 962 R CB -0.734 29.560 30.300 -0.010 0.000 0.846 962 R HN 0.394 nan 8.270 nan 0.000 0.431 963 I N 0.992 121.524 120.570 -0.062 0.000 2.227 963 I HA -0.387 3.783 4.170 -0.000 0.000 0.250 963 I C 2.070 178.155 176.117 -0.052 0.000 1.087 963 I CA 1.526 62.779 61.300 -0.080 0.000 1.352 963 I CB 0.001 37.924 38.000 -0.128 0.000 1.043 963 I HN 0.249 nan 8.210 nan 0.000 0.425 964 I N -0.109 120.386 120.570 -0.126 0.000 2.235 964 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 964 I C 2.450 178.504 176.117 -0.106 0.000 1.085 964 I CA 1.196 62.392 61.300 -0.174 0.000 1.378 964 I CB -0.383 37.357 38.000 -0.433 0.000 1.076 964 I HN 0.290 nan 8.210 nan 0.000 0.415 965 Q N 0.675 120.378 119.800 -0.162 0.000 2.156 965 Q HA -0.271 4.069 4.340 -0.000 0.000 0.211 965 Q C 1.930 177.807 176.000 -0.205 0.000 0.995 965 Q CA 1.876 57.515 55.803 -0.272 0.000 0.877 965 Q CB -0.304 28.121 28.738 -0.523 0.000 0.920 965 Q HN 0.535 nan 8.270 nan 0.000 0.416 966 N N 0.409 119.081 118.700 -0.047 0.000 2.058 966 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 966 N C 1.791 177.388 175.510 0.145 0.000 1.037 966 N CA 1.426 54.541 53.050 0.107 0.000 0.848 966 N CB -0.569 38.082 38.487 0.274 0.000 1.021 966 N HN 0.270 nan 8.380 nan 0.000 0.422 967 A N 2.250 125.263 122.820 0.321 0.000 1.903 967 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 967 A C 2.130 179.742 177.584 0.047 0.000 1.191 967 A CA 1.470 53.604 52.037 0.162 0.000 0.638 967 A CB -0.653 18.507 19.000 0.266 0.000 0.823 967 A HN 0.290 nan 8.150 nan 0.000 0.451 968 Q N -0.328 119.479 119.800 0.012 0.000 1.867 968 Q HA -0.304 4.036 4.340 -0.000 0.000 0.243 968 Q C 2.100 178.122 176.000 0.037 0.000 1.036 968 Q CA 2.341 58.150 55.803 0.010 0.000 0.889 968 Q CB -0.784 27.962 28.738 0.013 0.000 0.983 968 Q HN 1.030 nan 8.270 nan 0.000 0.418 969 Q N -0.193 119.637 119.800 0.049 0.000 2.387 969 Q HA 0.057 4.397 4.340 -0.000 0.000 0.211 969 Q C 0.839 176.739 176.000 -0.168 0.000 0.952 969 Q CA 0.786 56.610 55.803 0.034 0.000 0.957 969 Q CB 0.128 28.953 28.738 0.144 0.000 1.002 969 Q HN 0.117 nan 8.270 nan 0.000 0.502 970 T N -0.415 114.043 114.554 -0.161 0.000 3.037 970 T HA 0.149 4.499 4.350 -0.000 0.000 0.251 970 T C -0.201 174.097 174.700 -0.670 0.000 1.079 970 T CA 0.272 62.119 62.100 -0.421 0.000 1.067 970 T CB 0.120 68.677 68.868 -0.518 0.000 0.948 970 T HN 0.356 nan 8.240 nan 0.000 0.496 971 F N 0.451 120.132 119.950 -0.448 0.000 2.735 971 F HA 0.348 4.875 4.527 -0.000 0.000 0.308 971 F C 0.430 176.117 175.800 -0.188 0.000 1.112 971 F CA -1.186 56.619 58.000 -0.326 0.000 1.235 971 F CB -0.279 38.575 39.000 -0.244 0.000 1.027 971 F HN 0.103 nan 8.300 nan 0.000 0.528 972 H N 0.342 119.445 119.070 0.055 0.000 2.458 972 H HA -0.203 4.353 4.556 -0.000 0.000 0.322 972 H C 0.704 176.037 175.328 0.008 0.000 1.038 972 H CA 0.498 56.559 56.048 0.021 0.000 1.120 972 H CB -1.506 28.256 29.762 -0.000 0.000 1.489 972 H HN 0.315 nan 8.280 nan 0.000 0.399 973 I N 2.700 123.318 120.570 0.079 0.000 2.668 973 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 973 I C 0.980 177.035 176.117 -0.103 0.000 1.168 973 I CA 0.427 61.722 61.300 -0.009 0.000 1.424 973 I CB 0.477 38.442 38.000 -0.058 0.000 1.377 973 I HN 0.189 nan 8.210 nan 0.000 0.560 974 D N 6.363 126.716 120.400 -0.078 0.000 2.198 974 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 974 D C 0.270 176.508 176.300 -0.104 0.000 1.079 974 D CA -0.486 53.462 54.000 -0.088 0.000 0.854 974 D CB 0.864 41.663 40.800 -0.002 0.000 1.148 974 D HN 0.456 nan 8.370 nan 0.000 0.456 975 H N 1.650 120.748 119.070 0.046 0.000 3.761 975 H HA 0.031 4.587 4.556 -0.000 0.000 0.261 975 H C 0.984 176.326 175.328 0.023 0.000 1.143 975 H CA 0.667 56.736 56.048 0.035 0.000 1.239 975 H CB -0.432 29.352 29.762 0.037 0.000 1.344 975 H HN 0.700 nan 8.280 nan 0.000 0.733 976 T N -3.583 111.020 114.554 0.082 0.000 3.467 976 T HA 0.086 4.436 4.350 -0.000 0.000 0.258 976 T C 0.824 175.542 174.700 0.031 0.000 0.999 976 T CA -0.445 61.689 62.100 0.056 0.000 1.148 976 T CB 1.021 69.917 68.868 0.047 0.000 1.186 976 T HN 0.045 nan 8.240 nan 0.000 0.401 977 K N 3.069 123.481 120.400 0.020 0.000 2.286 977 K HA 0.333 4.653 4.320 -0.000 0.000 0.256 977 K C -2.276 174.328 176.600 0.007 0.000 0.999 977 K CA -1.330 54.964 56.287 0.011 0.000 0.908 977 K CB 0.084 32.589 32.500 0.009 0.000 0.981 977 K HN 0.384 nan 8.250 nan 0.000 0.500 978 P HA -0.001 nan 4.420 nan 0.000 0.276 978 P C -0.048 177.247 177.300 -0.009 0.000 1.252 978 P CA -0.247 62.850 63.100 -0.004 0.000 0.802 978 P CB 1.385 33.081 31.700 -0.006 0.000 1.035 979 S N 0.300 115.990 115.700 -0.017 0.000 2.136 979 S HA 0.068 4.538 4.470 -0.000 0.000 0.205 979 S C 0.419 175.002 174.600 -0.028 0.000 1.346 979 S CA 1.126 59.311 58.200 -0.026 0.000 1.084 979 S CB -0.523 62.652 63.200 -0.040 0.000 0.767 979 S HN 0.751 nan 8.310 nan 0.000 0.423 980 D N -0.780 119.594 120.400 -0.043 0.000 3.982 980 D HA 0.052 4.692 4.640 -0.000 0.000 0.231 980 D C -0.854 175.408 176.300 -0.062 0.000 0.891 980 D CA -0.211 53.765 54.000 -0.040 0.000 0.755 980 D CB -1.689 39.096 40.800 -0.024 0.000 1.742 980 D HN 0.363 nan 8.370 nan 0.000 0.300 981 L N 1.476 122.644 121.223 -0.093 0.000 2.282 981 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 981 L C 0.526 177.320 176.870 -0.126 0.000 1.033 981 L CA -0.376 54.375 54.840 -0.149 0.000 0.807 981 L CB 1.734 43.644 42.059 -0.248 0.000 1.209 981 L HN -0.165 nan 8.230 nan 0.000 0.423 982 T N 2.554 117.040 114.554 -0.113 0.000 2.860 982 T HA 0.207 4.557 4.350 -0.000 0.000 0.299 982 T C 1.740 176.377 174.700 -0.105 0.000 1.045 982 T CA -0.344 61.705 62.100 -0.086 0.000 1.071 982 T CB 1.197 70.026 68.868 -0.065 0.000 0.985 982 T HN 0.408 nan 8.240 nan 0.000 0.537 983 I N 0.729 121.253 120.570 -0.077 0.000 2.286 983 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 983 I C 2.616 178.688 176.117 -0.075 0.000 1.115 983 I CA 1.325 62.580 61.300 -0.075 0.000 1.392 983 I CB -0.372 37.601 38.000 -0.045 0.000 1.065 983 I HN 0.665 nan 8.210 nan 0.000 0.418 984 K N 0.849 121.213 120.400 -0.060 0.000 2.147 984 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 984 K C 1.613 178.173 176.600 -0.066 0.000 1.049 984 K CA 1.326 57.584 56.287 -0.048 0.000 0.936 984 K CB 0.047 32.527 32.500 -0.033 0.000 0.722 984 K HN 0.240 nan 8.250 nan 0.000 0.446 985 D N 0.932 121.270 120.400 -0.104 0.000 2.095 985 D HA -0.186 4.454 4.640 -0.000 0.000 0.192 985 D C 1.919 178.098 176.300 -0.202 0.000 0.990 985 D CA 1.286 55.200 54.000 -0.142 0.000 0.836 985 D CB -0.298 40.382 40.800 -0.200 0.000 0.979 985 D HN 0.161 nan 8.370 nan 0.000 0.447 986 I N 0.777 121.143 120.570 -0.340 0.000 2.053 986 I HA -0.320 3.850 4.170 -0.000 0.000 0.227 986 I C 2.570 178.647 176.117 -0.065 0.000 1.017 986 I CA 1.029 62.091 61.300 -0.396 0.000 1.315 986 I CB -0.638 37.167 38.000 -0.325 0.000 1.036 986 I HN -0.100 nan 8.210 nan 0.000 0.386 987 V N 0.926 120.818 119.914 -0.036 0.000 2.428 987 V HA -0.320 3.800 4.120 -0.000 0.000 0.255 987 V C 2.261 178.372 176.094 0.029 0.000 1.080 987 V CA 1.876 64.185 62.300 0.016 0.000 1.083 987 V CB -0.657 31.169 31.823 0.006 0.000 0.665 987 V HN 0.374 nan 8.190 nan 0.000 0.461 988 L N -0.282 120.950 121.223 0.015 0.000 2.102 988 L HA 0.059 4.399 4.340 -0.000 0.000 0.202 988 L C 2.645 179.548 176.870 0.055 0.000 1.076 988 L CA 1.454 56.309 54.840 0.025 0.000 0.761 988 L CB -0.986 41.078 42.059 0.009 0.000 0.921 988 L HN 0.437 nan 8.230 nan 0.000 0.444 989 G N -0.594 108.265 108.800 0.098 0.000 2.462 989 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 989 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 989 G C 1.530 176.518 174.900 0.145 0.000 1.121 989 G CA 0.945 46.144 45.100 0.166 0.000 0.758 989 G HN 0.199 nan 8.290 nan 0.000 0.559 990 V N 0.546 120.555 119.914 0.159 0.000 2.270 990 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 990 V C 2.607 178.711 176.094 0.016 0.000 1.043 990 V CA 2.154 64.503 62.300 0.082 0.000 1.014 990 V CB -0.411 31.471 31.823 0.099 0.000 0.645 990 V HN 0.408 nan 8.190 nan 0.000 0.447 991 K N -0.395 120.018 120.400 0.022 0.000 2.281 991 K HA -0.221 4.099 4.320 -0.000 0.000 0.203 991 K C 1.725 178.319 176.600 -0.009 0.000 1.046 991 K CA 1.611 57.897 56.287 -0.001 0.000 0.938 991 K CB -0.113 32.391 32.500 0.007 0.000 0.737 991 K HN 0.531 nan 8.250 nan 0.000 0.458 992 D N 0.081 120.482 120.400 0.002 0.000 2.202 992 D HA -0.118 4.522 4.640 -0.000 0.000 0.214 992 D C 1.857 178.139 176.300 -0.030 0.000 0.967 992 D CA 0.577 54.572 54.000 -0.007 0.000 0.871 992 D CB -0.088 40.718 40.800 0.010 0.000 1.020 992 D HN 0.079 nan 8.370 nan 0.000 0.474 993 L N 2.072 123.274 121.223 -0.035 0.000 2.058 993 L HA -0.332 4.008 4.340 -0.000 0.000 0.226 993 L C 2.230 179.041 176.870 -0.098 0.000 1.089 993 L CA 1.941 56.739 54.840 -0.071 0.000 0.799 993 L CB -0.864 41.140 42.059 -0.092 0.000 0.900 993 L HN 0.085 nan 8.230 nan 0.000 0.442 994 Q N -0.922 118.818 119.800 -0.099 0.000 1.935 994 Q HA -0.286 4.054 4.340 -0.000 0.000 0.212 994 Q C 1.898 177.833 176.000 -0.108 0.000 1.008 994 Q CA 1.971 57.703 55.803 -0.117 0.000 0.868 994 Q CB -0.651 28.033 28.738 -0.091 0.000 0.946 994 Q HN 0.561 nan 8.270 nan 0.000 0.418 995 E N 0.428 120.587 120.200 -0.068 0.000 2.315 995 E HA -0.239 4.111 4.350 -0.000 0.000 0.215 995 E C 1.430 177.996 176.600 -0.057 0.000 1.069 995 E CA 1.305 57.675 56.400 -0.050 0.000 0.859 995 E CB -0.473 29.208 29.700 -0.032 0.000 0.743 995 E HN 0.434 nan 8.360 nan 0.000 0.469 996 N N -0.104 118.550 118.700 -0.078 0.000 2.405 996 N HA 0.012 4.752 4.740 -0.000 0.000 0.175 996 N C 0.832 176.277 175.510 -0.108 0.000 1.051 996 N CA 0.045 53.053 53.050 -0.070 0.000 0.899 996 N CB 0.264 38.718 38.487 -0.055 0.000 1.000 996 N HN 0.199 nan 8.380 nan 0.000 0.451 997 L N 2.328 123.399 121.223 -0.254 0.000 2.983 997 L HA 0.065 4.405 4.340 -0.000 0.000 0.244 997 L C -0.161 176.615 176.870 -0.156 0.000 1.465 997 L CA -0.077 54.421 54.840 -0.570 0.000 1.147 997 L CB -1.184 40.160 42.059 -1.192 0.000 1.442 997 L HN -0.069 nan 8.230 nan 0.000 0.452 998 L N 0.911 122.159 121.223 0.042 0.000 2.385 998 L HA 0.059 4.399 4.340 -0.000 0.000 0.281 998 L C 1.061 178.041 176.870 0.183 0.000 1.106 998 L CA 0.263 55.161 54.840 0.098 0.000 0.856 998 L CB 1.287 43.378 42.059 0.052 0.000 1.186 998 L HN 0.163 nan 8.230 nan 0.000 0.453 999 V N 3.842 123.859 119.914 0.170 0.000 2.465 999 V HA 0.066 4.186 4.120 -0.000 0.000 0.230 999 V C 0.736 176.874 176.094 0.074 0.000 1.084 999 V CA 0.200 62.578 62.300 0.130 0.000 1.092 999 V CB -0.035 31.866 31.823 0.130 0.000 0.730 999 V HN 0.425 nan 8.190 nan 0.000 0.491 1000 L N 0.360 121.625 121.223 0.071 0.000 2.350 1000 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 1000 L C 1.354 178.253 176.870 0.048 0.000 1.099 1000 L CA 0.170 55.046 54.840 0.060 0.000 0.808 1000 L CB 1.326 43.423 42.059 0.064 0.000 1.149 1000 L HN 0.135 nan 8.230 nan 0.000 0.442 1001 R N 1.993 122.516 120.500 0.038 0.000 2.128 1001 R HA 0.144 4.484 4.340 -0.000 0.000 0.211 1001 R C 0.823 177.135 176.300 0.020 0.000 1.067 1001 R CA 0.549 56.664 56.100 0.025 0.000 1.010 1001 R CB -0.054 30.254 30.300 0.014 0.000 0.922 1001 R HN 0.903 nan 8.270 nan 0.000 0.457 1002 G N 1.182 109.995 108.800 0.023 0.000 3.512 1002 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.311 1002 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.311 1002 G C 0.049 174.955 174.900 0.011 0.000 0.653 1002 G CA 0.646 45.757 45.100 0.018 0.000 1.241 1002 G HN 0.310 nan 8.290 nan 0.000 0.408 1003 K N 0.151 120.556 120.400 0.009 0.000 2.402 1003 K HA 0.175 4.495 4.320 -0.000 0.000 0.204 1003 K C 1.036 177.639 176.600 0.004 0.000 1.056 1003 K CA 0.564 56.854 56.287 0.005 0.000 1.069 1003 K CB 0.128 32.629 32.500 0.003 0.000 0.888 1003 K HN 0.842 nan 8.250 nan 0.000 0.546 1004 N N -1.678 117.025 118.700 0.005 0.000 3.061 1004 N HA 0.128 4.868 4.740 -0.000 0.000 0.346 1004 N C 0.811 176.322 175.510 0.002 0.000 1.392 1004 N CA -0.540 52.512 53.050 0.003 0.000 0.762 1004 N CB 0.424 38.913 38.487 0.003 0.000 1.367 1004 N HN -0.170 nan 8.380 nan 0.000 0.607 1005 E N 0.139 120.339 120.200 -0.001 0.000 2.004 1005 E HA 0.085 4.434 4.350 -0.000 0.000 0.192 1005 E C 1.601 178.197 176.600 -0.006 0.000 0.987 1005 E CA 1.374 57.772 56.400 -0.003 0.000 0.822 1005 E CB -0.606 29.091 29.700 -0.005 0.000 0.779 1005 E HN 0.604 nan 8.360 nan 0.000 0.458 1006 I N 1.013 121.576 120.570 -0.011 0.000 2.132 1006 I HA -0.392 3.778 4.170 -0.000 0.000 0.238 1006 I C 2.304 178.410 176.117 -0.017 0.000 1.012 1006 I CA 1.383 62.670 61.300 -0.022 0.000 1.288 1006 I CB -0.636 37.348 38.000 -0.027 0.000 0.997 1006 I HN 0.288 nan 8.210 nan 0.000 0.402 1007 I N 0.241 120.808 120.570 -0.005 0.000 2.052 1007 I HA -0.326 3.844 4.170 -0.000 0.000 0.235 1007 I C 2.706 178.829 176.117 0.010 0.000 1.046 1007 I CA 1.783 63.088 61.300 0.007 0.000 1.308 1007 I CB -1.502 36.508 38.000 0.017 0.000 1.031 1007 I HN 0.431 nan 8.210 nan 0.000 0.395 1008 Q N 0.524 120.329 119.800 0.009 0.000 2.197 1008 Q HA -0.246 4.094 4.340 -0.000 0.000 0.211 1008 Q C 1.994 177.999 176.000 0.009 0.000 0.993 1008 Q CA 1.447 57.256 55.803 0.010 0.000 0.883 1008 Q CB -0.682 28.059 28.738 0.006 0.000 0.916 1008 Q HN 0.533 nan 8.270 nan 0.000 0.418 1009 N N 0.235 118.936 118.700 0.002 0.000 2.069 1009 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 1009 N C 1.688 177.202 175.510 0.007 0.000 1.031 1009 N CA 1.507 54.558 53.050 0.001 0.000 0.852 1009 N CB -0.277 38.203 38.487 -0.010 0.000 1.018 1009 N HN 0.274 nan 8.380 nan 0.000 0.423 1010 A N 1.075 123.897 122.820 0.003 0.000 1.892 1010 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 1010 A C 2.187 179.792 177.584 0.035 0.000 1.188 1010 A CA 2.172 54.218 52.037 0.015 0.000 0.631 1010 A CB -0.938 18.073 19.000 0.018 0.000 0.822 1010 A HN 0.410 nan 8.150 nan 0.000 0.447 1011 Q N 0.038 119.860 119.800 0.035 0.000 1.978 1011 Q HA -0.269 4.071 4.340 -0.000 0.000 0.211 1011 Q C 2.130 178.157 176.000 0.044 0.000 1.013 1011 Q CA 2.683 58.513 55.803 0.044 0.000 0.869 1011 Q CB -0.439 28.318 28.738 0.032 0.000 0.953 1011 Q HN 0.675 nan 8.270 nan 0.000 0.415 1012 R N 0.362 120.880 120.500 0.030 0.000 2.133 1012 R HA -0.206 4.134 4.340 -0.000 0.000 0.245 1012 R C 2.153 178.479 176.300 0.043 0.000 1.137 1012 R CA 1.713 57.831 56.100 0.029 0.000 0.947 1012 R CB -0.808 29.507 30.300 0.025 0.000 0.865 1012 R HN 0.536 nan 8.270 nan 0.000 0.437 1013 D N 0.522 120.950 120.400 0.046 0.000 2.182 1013 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 1013 D C 1.932 178.271 176.300 0.064 0.000 0.999 1013 D CA 1.778 55.813 54.000 0.057 0.000 0.850 1013 D CB -0.465 40.362 40.800 0.045 0.000 0.994 1013 D HN 0.285 nan 8.370 nan 0.000 0.450 1014 A N 0.689 123.549 122.820 0.066 0.000 2.023 1014 A HA -0.221 4.099 4.320 -0.000 0.000 0.223 1014 A C 2.531 180.171 177.584 0.095 0.000 1.180 1014 A CA 2.102 54.184 52.037 0.076 0.000 0.659 1014 A CB -0.740 18.307 19.000 0.078 0.000 0.817 1014 A HN 0.210 nan 8.150 nan 0.000 0.466 1015 V N -1.322 118.652 119.914 0.101 0.000 2.326 1015 V HA -0.145 3.975 4.120 -0.000 0.000 0.238 1015 V C 2.294 178.443 176.094 0.092 0.000 1.038 1015 V CA 1.878 64.262 62.300 0.140 0.000 1.032 1015 V CB -1.494 30.399 31.823 0.117 0.000 0.675 1015 V HN 0.621 nan 8.190 nan 0.000 0.467 1016 T N 1.364 115.932 114.554 0.024 0.000 2.409 1016 T HA -0.442 3.908 4.350 -0.000 0.000 0.197 1016 T C 1.621 176.223 174.700 -0.163 0.000 1.524 1016 T CA 2.686 64.743 62.100 -0.071 0.000 0.983 1016 T CB -1.227 67.606 68.868 -0.059 0.000 0.774 1016 T HN 0.302 nan 8.240 nan 0.000 0.477 1017 L N 0.884 122.020 121.223 -0.145 0.000 1.971 1017 L HA -0.010 4.330 4.340 -0.000 0.000 0.215 1017 L C 2.123 178.953 176.870 -0.067 0.000 1.072 1017 L CA 2.231 56.961 54.840 -0.182 0.000 0.758 1017 L CB -1.442 40.560 42.059 -0.096 0.000 0.889 1017 L HN 0.381 nan 8.230 nan 0.000 0.433 1018 F N 0.374 120.285 119.950 -0.065 0.000 2.085 1018 F HA -0.355 4.172 4.527 -0.000 0.000 0.299 1018 F C 2.591 178.355 175.800 -0.061 0.000 1.096 1018 F CA 1.864 59.858 58.000 -0.010 0.000 1.227 1018 F CB -1.205 37.859 39.000 0.107 0.000 0.983 1018 F HN 0.327 nan 8.300 nan 0.000 0.482 1019 C N 0.218 119.371 119.300 -0.244 0.000 2.367 1019 C HA -0.318 4.142 4.460 -0.000 0.000 0.276 1019 C C 3.041 177.828 174.990 -0.340 0.000 1.195 1019 C CA 1.090 59.892 59.018 -0.361 0.000 1.756 1019 C CB -1.950 25.673 27.740 -0.195 0.000 2.046 1019 C HN 0.737 nan 8.230 nan 0.000 0.453 1020 C N 0.703 119.834 119.300 -0.283 0.000 2.363 1020 C HA -0.211 4.249 4.460 -0.000 0.000 0.274 1020 C C 2.545 177.400 174.990 -0.224 0.000 1.183 1020 C CA 1.533 60.397 59.018 -0.257 0.000 1.771 1020 C CB -1.844 25.706 27.740 -0.318 0.000 2.059 1020 C HN 0.693 nan 8.230 nan 0.000 0.455 1021 L N 0.625 121.702 121.223 -0.243 0.000 2.043 1021 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 1021 L C 2.285 179.013 176.870 -0.237 0.000 1.075 1021 L CA 1.834 56.559 54.840 -0.191 0.000 0.752 1021 L CB -0.971 41.005 42.059 -0.138 0.000 0.891 1021 L HN 0.288 nan 8.230 nan 0.000 0.432 1022 L N 0.117 121.078 121.223 -0.435 0.000 1.976 1022 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 1022 L C 2.714 179.471 176.870 -0.188 0.000 1.071 1022 L CA 1.862 56.463 54.840 -0.399 0.000 0.746 1022 L CB -0.854 40.846 42.059 -0.598 0.000 0.890 1022 L HN 0.305 nan 8.230 nan 0.000 0.432 1023 R N -1.128 119.275 120.500 -0.163 0.000 2.193 1023 R HA -0.119 4.220 4.340 -0.000 0.000 0.229 1023 R C 2.463 178.778 176.300 0.025 0.000 1.110 1023 R CA 1.096 57.159 56.100 -0.061 0.000 0.988 1023 R CB -0.474 29.782 30.300 -0.072 0.000 0.871 1023 R HN 0.475 nan 8.270 nan 0.000 0.458 1024 S N 0.615 116.323 115.700 0.014 0.000 2.357 1024 S HA -0.044 4.426 4.470 -0.000 0.000 0.221 1024 S C 1.598 176.318 174.600 0.200 0.000 1.031 1024 S CA 0.695 58.985 58.200 0.150 0.000 0.982 1024 S CB 0.188 63.422 63.200 0.056 0.000 0.853 1024 S HN 0.169 nan 8.310 nan 0.000 0.458 1025 R N 0.763 121.317 120.500 0.091 0.000 2.320 1025 R HA 0.332 4.672 4.340 -0.000 0.000 0.211 1025 R C 0.124 176.521 176.300 0.162 0.000 0.931 1025 R CA 0.146 56.327 56.100 0.134 0.000 1.071 1025 R CB -0.511 29.838 30.300 0.081 0.000 1.025 1025 R HN 0.423 nan 8.270 nan 0.000 0.495 1026 L N 0.556 121.842 121.223 0.104 0.000 3.313 1026 L HA 0.391 4.731 4.340 -0.000 0.000 0.320 1026 L C -0.126 176.816 176.870 0.120 0.000 1.304 1026 L CA -0.459 54.462 54.840 0.134 0.000 0.920 1026 L CB 0.988 43.089 42.059 0.070 0.000 1.357 1026 L HN -0.066 nan 8.230 nan 0.000 0.602 1027 A N -0.519 122.341 122.820 0.067 0.000 2.322 1027 A HA 0.445 4.765 4.320 -0.000 0.000 0.269 1027 A C 1.392 178.970 177.584 -0.010 0.000 1.094 1027 A CA -0.008 52.052 52.037 0.038 0.000 0.807 1027 A CB 0.610 19.629 19.000 0.031 0.000 1.047 1027 A HN 0.325 nan 8.150 nan 0.000 0.487 1028 T N 1.695 116.247 114.554 -0.003 0.000 2.597 1028 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 1028 T C 2.131 176.783 174.700 -0.080 0.000 1.053 1028 T CA 1.769 63.850 62.100 -0.030 0.000 1.165 1028 T CB -0.272 68.582 68.868 -0.023 0.000 0.863 1028 T HN 0.613 nan 8.240 nan 0.000 0.427 1029 R N 0.770 121.199 120.500 -0.119 0.000 2.113 1029 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 1029 R C 2.644 178.794 176.300 -0.249 0.000 1.129 1029 R CA 1.672 57.666 56.100 -0.176 0.000 0.915 1029 R CB -0.812 29.358 30.300 -0.216 0.000 0.837 1029 R HN 0.374 nan 8.270 nan 0.000 0.430 1030 R N -0.046 120.231 120.500 -0.372 0.000 2.133 1030 R HA -0.185 4.155 4.340 -0.000 0.000 0.245 1030 R C 2.313 178.296 176.300 -0.529 0.000 1.137 1030 R CA 2.298 58.084 56.100 -0.523 0.000 0.947 1030 R CB -0.571 29.407 30.300 -0.536 0.000 0.865 1030 R HN 0.088 nan 8.270 nan 0.000 0.437 1031 V N 0.713 120.519 119.914 -0.179 0.000 2.324 1031 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 1031 V C 2.115 178.240 176.094 0.052 0.000 1.060 1031 V CA 1.909 64.276 62.300 0.113 0.000 1.042 1031 V CB -0.371 31.588 31.823 0.226 0.000 0.650 1031 V HN 0.294 nan 8.190 nan 0.000 0.450 1032 L N -1.529 119.664 121.223 -0.050 0.000 2.253 1032 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 1032 L C 2.398 179.234 176.870 -0.057 0.000 1.078 1032 L CA 1.123 55.940 54.840 -0.038 0.000 0.805 1032 L CB -0.417 41.611 42.059 -0.053 0.000 0.963 1032 L HN 0.225 nan 8.230 nan 0.000 0.459 1033 Q N -0.021 119.707 119.800 -0.119 0.000 2.013 1033 Q HA -0.116 4.224 4.340 -0.000 0.000 0.195 1033 Q C 1.991 177.916 176.000 -0.126 0.000 0.974 1033 Q CA 1.171 56.906 55.803 -0.113 0.000 0.826 1033 Q CB 0.203 28.855 28.738 -0.143 0.000 0.895 1033 Q HN 0.431 nan 8.270 nan 0.000 0.448 1034 E N -0.119 119.923 120.200 -0.265 0.000 2.001 1034 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 1034 E C -0.068 176.457 176.600 -0.125 0.000 1.002 1034 E CA 1.180 57.404 56.400 -0.293 0.000 0.819 1034 E CB -0.137 29.238 29.700 -0.542 0.000 0.769 1034 E HN 0.379 nan 8.360 nan 0.000 0.454 1035 Y N 0.544 120.867 120.300 0.037 0.000 2.841 1035 Y HA 0.379 4.929 4.550 -0.000 0.000 0.329 1035 Y C -0.377 175.553 175.900 0.050 0.000 1.062 1035 Y CA -1.137 57.010 58.100 0.077 0.000 1.281 1035 Y CB 0.039 38.529 38.460 0.049 0.000 1.147 1035 Y HN -0.275 nan 8.280 nan 0.000 0.521 1036 R N 3.945 124.555 120.500 0.184 0.000 2.614 1036 R HA 0.051 4.391 4.340 -0.000 0.000 0.335 1036 R C -0.640 175.695 176.300 0.058 0.000 0.859 1036 R CA 0.440 56.591 56.100 0.084 0.000 1.123 1036 R CB -0.035 30.283 30.300 0.030 0.000 0.887 1036 R HN 0.746 nan 8.270 nan 0.000 0.407 1037 L N 2.488 123.752 121.223 0.068 0.000 2.365 1037 L HA 0.320 4.660 4.340 -0.000 0.000 0.273 1037 L C 1.083 177.950 176.870 -0.005 0.000 1.000 1037 L CA -0.792 54.068 54.840 0.034 0.000 0.819 1037 L CB 2.146 44.287 42.059 0.136 0.000 1.284 1037 L HN 0.633 nan 8.230 nan 0.000 0.418 1038 T N -1.399 113.121 114.554 -0.056 0.000 2.788 1038 T HA 0.115 4.465 4.350 -0.000 0.000 0.280 1038 T C 0.964 175.649 174.700 -0.026 0.000 0.984 1038 T CA -0.445 61.630 62.100 -0.042 0.000 0.972 1038 T CB 1.406 70.251 68.868 -0.039 0.000 1.039 1038 T HN 0.629 nan 8.240 nan 0.000 0.530 1039 K N 0.036 120.425 120.400 -0.018 0.000 2.147 1039 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 1039 K C 2.349 178.980 176.600 0.053 0.000 1.049 1039 K CA 1.811 58.097 56.287 -0.001 0.000 0.936 1039 K CB -0.499 31.996 32.500 -0.008 0.000 0.722 1039 K HN 0.752 nan 8.250 nan 0.000 0.446 1040 Q N -0.200 119.611 119.800 0.017 0.000 1.942 1040 Q HA -0.150 4.190 4.340 -0.000 0.000 0.203 1040 Q C 2.007 177.925 176.000 -0.137 0.000 0.987 1040 Q CA 1.851 57.667 55.803 0.023 0.000 0.844 1040 Q CB -0.473 28.321 28.738 0.092 0.000 0.911 1040 Q HN 0.388 nan 8.270 nan 0.000 0.423 1041 A N 0.710 123.230 122.820 -0.501 0.000 1.894 1041 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 1041 A C 1.928 179.410 177.584 -0.169 0.000 1.237 1041 A CA 2.057 53.631 52.037 -0.773 0.000 0.660 1041 A CB -1.491 17.173 19.000 -0.560 0.000 0.835 1041 A HN 0.645 nan 8.150 nan 0.000 0.461 1042 F N 0.867 120.725 119.950 -0.154 0.000 2.043 1042 F HA -0.244 4.283 4.527 -0.000 0.000 0.297 1042 F C 2.131 177.929 175.800 -0.003 0.000 1.121 1042 F CA 2.480 60.446 58.000 -0.056 0.000 1.199 1042 F CB -0.325 38.650 39.000 -0.041 0.000 0.968 1042 F HN 0.303 nan 8.300 nan 0.000 0.478 1043 D N -1.097 119.460 120.400 0.262 0.000 2.228 1043 D HA -0.254 4.386 4.640 -0.000 0.000 0.203 1043 D C 1.741 178.117 176.300 0.127 0.000 0.988 1043 D CA 1.386 55.492 54.000 0.178 0.000 0.864 1043 D CB -0.456 40.454 40.800 0.183 0.000 0.928 1043 D HN 0.499 nan 8.370 nan 0.000 0.469 1044 W N 1.212 122.470 121.300 -0.071 0.000 2.452 1044 W HA -0.140 4.520 4.660 -0.000 0.000 0.313 1044 W C 2.291 178.745 176.519 -0.108 0.000 1.176 1044 W CA 0.741 58.063 57.345 -0.037 0.000 1.350 1044 W CB -0.625 28.846 29.460 0.019 0.000 1.148 1044 W HN -0.284 nan 8.180 nan 0.000 0.498 1045 V N 1.792 121.694 119.914 -0.021 0.000 2.278 1045 V HA -0.391 3.729 4.120 -0.000 0.000 0.251 1045 V C 2.384 178.264 176.094 -0.356 0.000 1.062 1045 V CA 2.150 64.294 62.300 -0.261 0.000 1.038 1045 V CB -1.459 30.208 31.823 -0.260 0.000 0.646 1045 V HN 0.279 nan 8.190 nan 0.000 0.447 1046 L N 0.125 121.117 121.223 -0.385 0.000 1.955 1046 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 1046 L C 2.832 179.570 176.870 -0.221 0.000 1.072 1046 L CA 2.193 56.836 54.840 -0.328 0.000 0.755 1046 L CB -0.918 40.966 42.059 -0.292 0.000 0.888 1046 L HN 0.489 nan 8.230 nan 0.000 0.432 1047 S N 0.223 115.810 115.700 -0.189 0.000 2.380 1047 S HA -0.271 4.199 4.470 -0.000 0.000 0.229 1047 S C 1.834 176.305 174.600 -0.215 0.000 1.050 1047 S CA 2.136 60.237 58.200 -0.165 0.000 1.100 1047 S CB -0.377 62.739 63.200 -0.139 0.000 0.984 1047 S HN 0.431 nan 8.310 nan 0.000 0.434 1048 N N 1.295 119.774 118.700 -0.367 0.000 2.043 1048 N HA -0.056 4.684 4.740 -0.000 0.000 0.193 1048 N C 1.949 177.341 175.510 -0.197 0.000 1.037 1048 N CA 1.704 54.538 53.050 -0.360 0.000 0.851 1048 N CB -0.652 37.469 38.487 -0.611 0.000 1.027 1048 N HN 0.489 nan 8.380 nan 0.000 0.422 1049 I N 1.594 122.058 120.570 -0.176 0.000 2.181 1049 I HA -0.334 3.836 4.170 -0.000 0.000 0.247 1049 I C 2.537 178.678 176.117 0.040 0.000 1.081 1049 I CA 1.380 62.659 61.300 -0.036 0.000 1.340 1049 I CB -0.317 37.661 38.000 -0.036 0.000 1.036 1049 I HN 0.342 nan 8.210 nan 0.000 0.417 1050 E N 1.337 121.524 120.200 -0.022 0.000 1.993 1050 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 1050 E C 2.248 178.886 176.600 0.062 0.000 0.999 1050 E CA 1.389 57.797 56.400 0.014 0.000 0.850 1050 E CB -0.249 29.431 29.700 -0.034 0.000 0.796 1050 E HN 0.355 nan 8.360 nan 0.000 0.482 1051 A N 0.456 123.276 122.820 -0.000 0.000 2.023 1051 A HA -0.351 3.969 4.320 -0.000 0.000 0.223 1051 A C 2.148 179.740 177.584 0.012 0.000 1.180 1051 A CA 2.371 54.408 52.037 0.001 0.000 0.659 1051 A CB -0.868 18.108 19.000 -0.040 0.000 0.817 1051 A HN 0.578 nan 8.150 nan 0.000 0.466 1052 Q N -2.526 117.274 119.800 -0.000 0.000 2.187 1052 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 1052 Q C 1.737 177.748 176.000 0.018 0.000 0.957 1052 Q CA 1.061 56.856 55.803 -0.013 0.000 0.857 1052 Q CB -0.143 28.565 28.738 -0.050 0.000 0.929 1052 Q HN 0.757 nan 8.270 nan 0.000 0.453 1053 F N 0.706 120.602 119.950 -0.090 0.000 2.039 1053 F HA -0.176 4.351 4.527 -0.000 0.000 0.294 1053 F C 1.575 177.317 175.800 -0.097 0.000 1.130 1053 F CA 1.333 59.247 58.000 -0.144 0.000 1.189 1053 F CB -0.226 38.685 39.000 -0.148 0.000 0.983 1053 F HN -0.013 nan 8.300 nan 0.000 0.471 1054 L N 0.424 121.771 121.223 0.207 0.000 2.456 1054 L HA -0.238 4.102 4.340 -0.000 0.000 0.225 1054 L C 2.345 179.192 176.870 -0.040 0.000 1.142 1054 L CA 0.917 55.805 54.840 0.081 0.000 0.796 1054 L CB -0.573 41.548 42.059 0.104 0.000 0.920 1054 L HN 0.240 nan 8.230 nan 0.000 0.446 1055 R N -1.269 119.217 120.500 -0.024 0.000 2.105 1055 R HA 0.052 4.392 4.340 -0.000 0.000 0.214 1055 R C 2.106 178.426 176.300 0.034 0.000 1.091 1055 R CA 0.811 56.938 56.100 0.046 0.000 1.007 1055 R CB -0.203 30.163 30.300 0.110 0.000 0.912 1055 R HN 0.183 nan 8.270 nan 0.000 0.450 1056 S N 1.214 116.907 115.700 -0.012 0.000 2.653 1056 S HA 0.014 4.484 4.470 -0.000 0.000 0.233 1056 S C 0.895 175.272 174.600 -0.371 0.000 0.970 1056 S CA 0.164 58.294 58.200 -0.115 0.000 0.947 1056 S CB -0.235 62.841 63.200 -0.207 0.000 0.771 1056 S HN -0.013 nan 8.310 nan 0.000 0.538 1057 V N 1.411 121.113 119.914 -0.353 0.000 3.319 1057 V HA 0.150 4.269 4.120 -0.000 0.000 0.303 1057 V C 0.796 176.738 176.094 -0.252 0.000 1.094 1057 V CA -0.548 61.562 62.300 -0.317 0.000 1.106 1057 V CB 0.831 32.502 31.823 -0.253 0.000 1.099 1057 V HN 0.056 nan 8.190 nan 0.000 0.476 1058 V N 1.277 121.098 119.914 -0.155 0.000 2.785 1058 V HA 0.216 4.336 4.120 -0.000 0.000 0.300 1058 V C 0.116 176.184 176.094 -0.044 0.000 1.062 1058 V CA -0.525 61.760 62.300 -0.024 0.000 1.029 1058 V CB 0.888 32.778 31.823 0.111 0.000 1.024 1058 V HN 0.764 nan 8.190 nan 0.000 0.477 1059 H N 3.498 122.561 119.070 -0.012 0.000 2.594 1059 H HA 0.254 4.810 4.556 -0.000 0.000 0.304 1059 H C -2.361 172.976 175.328 0.015 0.000 1.068 1059 H CA -1.863 54.194 56.048 0.016 0.000 1.308 1059 H CB 1.460 31.226 29.762 0.007 0.000 1.409 1059 H HN 0.416 nan 8.280 nan 0.000 0.460 1060 P HA -0.029 nan 4.420 nan 0.000 0.257 1060 P C 0.871 178.098 177.300 -0.122 0.000 1.189 1060 P CA 1.039 64.128 63.100 -0.017 0.000 0.780 1060 P CB 0.455 32.201 31.700 0.077 0.000 0.772 1061 G N 2.462 111.177 108.800 -0.142 0.000 3.033 1061 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.208 1061 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.208 1061 G C -0.022 174.808 174.900 -0.117 0.000 1.006 1061 G CA -0.487 44.534 45.100 -0.132 0.000 0.808 1061 G HN 0.415 nan 8.290 nan 0.000 0.499 1062 E N 1.928 122.077 120.200 -0.085 0.000 2.498 1062 E HA 0.148 4.497 4.350 -0.000 0.000 0.252 1062 E C 0.834 177.328 176.600 -0.176 0.000 1.025 1062 E CA 0.103 56.445 56.400 -0.098 0.000 0.938 1062 E CB 0.420 30.092 29.700 -0.048 0.000 0.947 1062 E HN 0.206 nan 8.360 nan 0.000 0.478 1063 M N 4.298 123.799 119.600 -0.165 0.000 3.484 1063 M HA -0.034 4.446 4.480 -0.000 0.000 0.196 1063 M C 1.347 177.516 176.300 -0.218 0.000 1.359 1063 M CA -0.116 55.069 55.300 -0.193 0.000 1.510 1063 M CB -1.180 31.326 32.600 -0.158 0.000 1.284 1063 M HN 0.254 nan 8.290 nan 0.000 0.463 1064 V N 0.749 120.485 119.914 -0.296 0.000 2.265 1064 V HA -0.388 3.732 4.120 -0.000 0.000 0.260 1064 V C 2.452 178.396 176.094 -0.249 0.000 1.084 1064 V CA 2.577 64.653 62.300 -0.373 0.000 1.086 1064 V CB -1.981 29.357 31.823 -0.808 0.000 0.704 1064 V HN 0.677 nan 8.190 nan 0.000 0.457 1065 G N -0.526 108.123 108.800 -0.252 0.000 2.599 1065 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 1065 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 1065 G C 1.585 176.381 174.900 -0.173 0.000 1.193 1065 G CA 1.756 46.737 45.100 -0.199 0.000 0.778 1065 G HN 0.446 nan 8.290 nan 0.000 0.589 1066 V N 1.013 120.824 119.914 -0.171 0.000 2.287 1066 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 1066 V C 2.652 178.658 176.094 -0.147 0.000 1.053 1066 V CA 1.547 63.753 62.300 -0.157 0.000 1.027 1066 V CB -0.609 31.128 31.823 -0.143 0.000 0.646 1066 V HN 0.347 nan 8.190 nan 0.000 0.447 1067 L N 0.985 122.126 121.223 -0.137 0.000 1.933 1067 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 1067 L C 2.628 179.379 176.870 -0.198 0.000 1.078 1067 L CA 2.958 57.720 54.840 -0.130 0.000 0.773 1067 L CB -1.660 40.357 42.059 -0.070 0.000 0.890 1067 L HN 0.328 nan 8.230 nan 0.000 0.434 1068 A N -0.316 122.429 122.820 -0.126 0.000 1.958 1068 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 1068 A C 2.446 179.927 177.584 -0.172 0.000 1.178 1068 A CA 2.678 54.646 52.037 -0.116 0.000 0.642 1068 A CB -1.071 18.056 19.000 0.211 0.000 0.816 1068 A HN 0.720 nan 8.150 nan 0.000 0.453 1069 A N -0.785 121.944 122.820 -0.152 0.000 1.865 1069 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 1069 A C 2.159 179.642 177.584 -0.168 0.000 1.191 1069 A CA 1.811 53.753 52.037 -0.159 0.000 0.623 1069 A CB -0.681 18.215 19.000 -0.174 0.000 0.826 1069 A HN 0.684 nan 8.150 nan 0.000 0.444 1070 Q N -0.347 119.348 119.800 -0.175 0.000 2.020 1070 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 1070 Q C 2.394 178.277 176.000 -0.195 0.000 0.982 1070 Q CA 1.680 57.383 55.803 -0.166 0.000 0.838 1070 Q CB -0.400 28.262 28.738 -0.127 0.000 0.899 1070 Q HN 0.639 nan 8.270 nan 0.000 0.423 1071 S N 0.846 116.390 115.700 -0.261 0.000 2.428 1071 S HA -0.177 4.293 4.470 -0.000 0.000 0.240 1071 S C 1.856 176.335 174.600 -0.202 0.000 1.036 1071 S CA 1.147 59.165 58.200 -0.303 0.000 1.009 1071 S CB -0.214 62.562 63.200 -0.707 0.000 0.803 1071 S HN 0.306 nan 8.310 nan 0.000 0.486 1072 I N 0.103 120.575 120.570 -0.163 0.000 2.729 1072 I HA 0.065 4.235 4.170 -0.000 0.000 0.256 1072 I C 2.352 178.402 176.117 -0.111 0.000 1.115 1072 I CA 0.768 62.005 61.300 -0.105 0.000 1.446 1072 I CB -0.588 37.368 38.000 -0.072 0.000 1.176 1072 I HN 0.329 nan 8.210 nan 0.000 0.446 1073 G N 0.547 109.272 108.800 -0.125 0.000 3.155 1073 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.213 1073 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.213 1073 G C 1.252 176.068 174.900 -0.140 0.000 1.196 1073 G CA 0.075 45.103 45.100 -0.119 0.000 0.846 1073 G HN 0.210 nan 8.290 nan 0.000 0.516 1074 E N 1.187 121.283 120.200 -0.174 0.000 2.083 1074 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 1074 E C -0.673 175.815 176.600 -0.188 0.000 0.950 1074 E CA 0.273 56.525 56.400 -0.246 0.000 0.849 1074 E CB -0.121 29.349 29.700 -0.383 0.000 0.827 1074 E HN 0.281 nan 8.360 nan 0.000 0.465 1075 P HA 0.084 nan 4.420 nan 0.000 0.258 1075 P C 0.182 177.435 177.300 -0.078 0.000 1.319 1075 P CA 0.493 63.534 63.100 -0.098 0.000 0.785 1075 P CB 0.199 31.856 31.700 -0.071 0.000 1.252 1076 A N -0.512 122.255 122.820 -0.087 0.000 2.044 1076 A HA 0.067 4.387 4.320 -0.000 0.000 0.213 1076 A C 2.058 179.608 177.584 -0.057 0.000 1.169 1076 A CA 1.081 53.078 52.037 -0.067 0.000 0.724 1076 A CB -0.870 18.087 19.000 -0.070 0.000 0.840 1076 A HN 0.125 nan 8.150 nan 0.000 0.463 1077 T N 0.227 114.740 114.554 -0.069 0.000 3.009 1077 T HA -0.032 4.318 4.350 -0.000 0.000 0.258 1077 T C 1.394 176.067 174.700 -0.045 0.000 1.063 1077 T CA 0.789 62.856 62.100 -0.054 0.000 1.139 1077 T CB -0.064 68.764 68.868 -0.065 0.000 0.890 1077 T HN 0.388 nan 8.240 nan 0.000 0.471 1078 Q N 0.904 120.672 119.800 -0.053 0.000 2.431 1078 Q HA 0.211 4.551 4.340 -0.000 0.000 0.210 1078 Q C 0.117 176.100 176.000 -0.028 0.000 0.958 1078 Q CA 0.268 56.049 55.803 -0.038 0.000 0.957 1078 Q CB -0.612 28.102 28.738 -0.040 0.000 1.007 1078 Q HN 0.560 nan 8.270 nan 0.000 0.511 1079 M N 1.228 120.810 119.600 -0.030 0.000 2.206 1079 M HA 0.171 4.651 4.480 -0.000 0.000 0.353 1079 M C -0.456 175.833 176.300 -0.019 0.000 1.242 1079 M CA 0.036 55.320 55.300 -0.025 0.000 1.179 1079 M CB 0.675 33.257 32.600 -0.030 0.000 1.374 1079 M HN -0.253 nan 8.290 nan 0.000 0.427 1080 T N 5.259 119.804 114.554 -0.014 0.000 2.910 1080 T HA 0.626 4.976 4.350 -0.000 0.000 0.323 1080 T C -0.038 174.656 174.700 -0.009 0.000 1.091 1080 T CA -0.172 61.922 62.100 -0.010 0.000 0.960 1080 T CB 0.306 69.170 68.868 -0.006 0.000 1.024 1080 T HN 0.498 nan 8.240 nan 0.000 0.509 1093 K N 2.657 123.063 120.400 0.011 0.000 2.480 1093 K HA 0.191 4.511 4.320 -0.000 0.000 0.241 1093 K C -0.623 175.979 176.600 0.004 0.000 1.261 1093 K CA 0.064 56.353 56.287 0.003 0.000 1.193 1093 K CB 0.332 32.831 32.500 -0.001 0.000 1.598 1093 K HN -0.109 nan 8.250 nan 0.000 0.278 1094 V N 0.816 120.733 119.914 0.005 0.000 2.667 1094 V HA 0.154 4.274 4.120 -0.000 0.000 0.308 1094 V C 0.384 176.478 176.094 0.000 0.000 1.048 1094 V CA -1.191 61.111 62.300 0.004 0.000 0.928 1094 V CB 1.855 33.683 31.823 0.009 0.000 1.004 1094 V HN 0.465 nan 8.190 nan 0.000 0.444 1095 T N 3.023 117.578 114.554 0.002 0.000 2.778 1095 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 1095 T C 0.349 175.045 174.700 -0.005 0.000 0.983 1095 T CA 0.134 62.235 62.100 0.001 0.000 1.193 1095 T CB -0.265 68.608 68.868 0.008 0.000 0.938 1095 T HN 1.004 nan 8.240 nan 0.000 0.523 1096 S N 1.931 117.625 115.700 -0.010 0.000 2.697 1096 S HA 0.936 5.406 4.470 -0.000 0.000 0.289 1096 S C 0.448 175.034 174.600 -0.022 0.000 1.149 1096 S CA -0.339 57.849 58.200 -0.020 0.000 0.850 1096 S CB 1.719 64.905 63.200 -0.024 0.000 1.151 1096 S HN 1.621 nan 8.310 nan 0.000 0.491 1097 G N 0.101 108.882 108.800 -0.033 0.000 2.562 1097 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.250 1097 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.250 1097 G C 0.636 175.521 174.900 -0.025 0.000 1.269 1097 G CA 0.076 45.157 45.100 -0.031 0.000 0.919 1097 G HN 1.577 nan 8.290 nan 0.000 0.574 1098 V N 2.988 122.891 119.914 -0.019 0.000 2.231 1098 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 1098 V C 1.000 177.095 176.094 0.001 0.000 1.058 1098 V CA 3.499 65.793 62.300 -0.011 0.000 1.022 1098 V CB -1.733 30.086 31.823 -0.006 0.000 0.640 1098 V HN 0.814 nan 8.190 nan 0.000 0.445 1099 P HA -0.229 nan 4.420 nan 0.000 0.216 1099 P C 1.570 178.879 177.300 0.015 0.000 1.150 1099 P CA 1.831 64.940 63.100 0.014 0.000 0.837 1099 P CB -0.112 31.594 31.700 0.011 0.000 0.786 1100 R N 0.792 121.293 120.500 0.002 0.000 2.080 1100 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 1100 R C 2.401 178.697 176.300 -0.006 0.000 1.137 1100 R CA 1.521 57.619 56.100 -0.002 0.000 0.943 1100 R CB -1.974 28.315 30.300 -0.018 0.000 0.846 1100 R HN 0.153 nan 8.270 nan 0.000 0.431 1101 L N 1.180 122.392 121.223 -0.018 0.000 2.013 1101 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 1101 L C 2.230 179.102 176.870 0.004 0.000 1.073 1101 L CA 2.309 57.134 54.840 -0.025 0.000 0.753 1101 L CB -0.843 41.198 42.059 -0.031 0.000 0.890 1101 L HN 0.339 nan 8.230 nan 0.000 0.432 1102 K N -0.202 120.213 120.400 0.025 0.000 1.977 1102 K HA -0.324 3.996 4.320 -0.000 0.000 0.218 1102 K C 2.148 178.790 176.600 0.071 0.000 1.051 1102 K CA 2.199 58.520 56.287 0.056 0.000 0.953 1102 K CB -0.477 32.062 32.500 0.064 0.000 0.727 1102 K HN 0.523 nan 8.250 nan 0.000 0.445 1103 E N 0.294 120.533 120.200 0.066 0.000 2.200 1103 E HA -0.271 4.079 4.350 -0.000 0.000 0.211 1103 E C 1.909 178.586 176.600 0.128 0.000 1.048 1103 E CA 2.304 58.756 56.400 0.087 0.000 0.851 1103 E CB -0.162 29.580 29.700 0.070 0.000 0.747 1103 E HN 0.411 nan 8.360 nan 0.000 0.462 1104 I N 0.076 120.699 120.570 0.087 0.000 2.094 1104 I HA -0.278 3.892 4.170 -0.000 0.000 0.234 1104 I C 2.380 178.585 176.117 0.148 0.000 1.063 1104 I CA 0.915 62.267 61.300 0.085 0.000 1.328 1104 I CB -0.426 37.516 38.000 -0.097 0.000 1.058 1104 I HN 0.151 nan 8.210 nan 0.000 0.400 1105 L N 1.178 122.450 121.223 0.082 0.000 2.357 1105 L HA -0.248 4.092 4.340 -0.000 0.000 0.220 1105 L C 2.014 178.972 176.870 0.147 0.000 1.123 1105 L CA 0.989 55.887 54.840 0.097 0.000 0.782 1105 L CB -0.843 41.248 42.059 0.053 0.000 0.910 1105 L HN 0.419 nan 8.230 nan 0.000 0.442 1106 N N -0.623 118.172 118.700 0.160 0.000 2.368 1106 N HA 0.002 4.742 4.740 -0.000 0.000 0.176 1106 N C 0.761 176.374 175.510 0.172 0.000 1.021 1106 N CA 0.614 53.764 53.050 0.166 0.000 0.888 1106 N CB 0.663 39.239 38.487 0.148 0.000 0.995 1106 N HN 0.026 nan 8.380 nan 0.000 0.437 1107 V N 0.568 120.611 119.914 0.216 0.000 6.413 1107 V HA -0.225 3.895 4.120 -0.000 0.000 0.342 1107 V C 0.122 176.268 176.094 0.086 0.000 0.454 1107 V CA 0.254 62.657 62.300 0.172 0.000 0.688 1107 V CB -2.551 29.343 31.823 0.118 0.000 0.279 1107 V HN 0.424 nan 8.190 nan 0.000 1.086 1108 A N 0.580 123.468 122.820 0.113 0.000 2.363 1108 A HA 0.707 5.027 4.320 -0.000 0.000 0.270 1108 A C 0.895 178.498 177.584 0.032 0.000 1.121 1108 A CA 0.480 52.558 52.037 0.069 0.000 0.800 1108 A CB 1.156 20.207 19.000 0.085 0.000 1.052 1108 A HN 0.537 nan 8.150 nan 0.000 0.493 1109 K N 2.274 122.677 120.400 0.005 0.000 1.969 1109 K HA -0.120 4.200 4.320 -0.000 0.000 0.220 1109 K C 0.765 177.365 176.600 -0.000 0.000 1.040 1109 K CA 1.945 58.224 56.287 -0.014 0.000 0.981 1109 K CB -0.313 32.175 32.500 -0.021 0.000 0.746 1109 K HN 0.848 nan 8.250 nan 0.000 0.444 1110 N N 3.189 121.891 118.700 0.004 0.000 2.671 1110 N HA -0.005 4.735 4.740 -0.000 0.000 0.274 1110 N C -0.337 175.186 175.510 0.021 0.000 1.188 1110 N CA 0.066 53.121 53.050 0.007 0.000 1.065 1110 N CB -0.608 37.880 38.487 0.002 0.000 1.415 1110 N HN 0.397 nan 8.380 nan 0.000 0.511 1111 M N -0.705 118.914 119.600 0.032 0.000 2.228 1111 M HA 0.190 4.670 4.480 -0.000 0.000 0.351 1111 M C 0.839 177.155 176.300 0.026 0.000 1.233 1111 M CA -0.299 55.027 55.300 0.044 0.000 1.129 1111 M CB 1.155 33.797 32.600 0.069 0.000 1.604 1111 M HN 0.083 nan 8.290 nan 0.000 0.457 1112 K N 1.375 121.790 120.400 0.024 0.000 2.015 1112 K HA -0.110 4.210 4.320 -0.000 0.000 0.220 1112 K C 0.389 176.995 176.600 0.010 0.000 1.055 1112 K CA 1.962 58.257 56.287 0.014 0.000 0.951 1112 K CB -0.468 32.039 32.500 0.012 0.000 0.725 1112 K HN 0.776 nan 8.250 nan 0.000 0.449 1113 T N 1.677 116.238 114.554 0.012 0.000 2.837 1113 T HA 0.134 4.484 4.350 -0.000 0.000 0.285 1113 T C -1.872 172.833 174.700 0.008 0.000 0.984 1113 T CA -1.461 60.643 62.100 0.007 0.000 1.049 1113 T CB 1.993 70.864 68.868 0.005 0.000 0.947 1113 T HN 0.131 nan 8.240 nan 0.000 0.472 1114 P HA 0.155 nan 4.420 nan 0.000 0.208 1114 P C 0.482 177.771 177.300 -0.018 0.000 1.088 1114 P CA 0.178 63.275 63.100 -0.004 0.000 0.962 1114 P CB 0.330 32.026 31.700 -0.008 0.000 0.810 1115 S N -0.484 115.206 115.700 -0.017 0.000 3.457 1115 S HA -0.109 4.361 4.470 -0.000 0.000 0.661 1115 S C -0.576 174.000 174.600 -0.039 0.000 2.434 1115 S CA 0.763 58.950 58.200 -0.021 0.000 2.585 1115 S CB -0.994 62.194 63.200 -0.020 0.000 0.323 1115 S HN 0.591 nan 8.310 nan 0.000 1.673 1116 L N 1.148 122.350 121.223 -0.035 0.000 4.058 1116 L HA 0.436 4.776 4.340 -0.000 0.000 0.252 1116 L C -0.475 176.394 176.870 -0.002 0.000 1.030 1116 L CA 0.304 55.123 54.840 -0.035 0.000 1.351 1116 L CB 0.487 42.536 42.059 -0.016 0.000 1.996 1116 L HN 0.573 nan 8.230 nan 0.000 0.692 1117 T N 4.460 119.026 114.554 0.020 0.000 2.747 1117 T HA 0.600 4.950 4.350 -0.000 0.000 0.301 1117 T C 0.222 174.954 174.700 0.054 0.000 0.952 1117 T CA 0.112 62.227 62.100 0.025 0.000 0.983 1117 T CB 0.654 69.570 68.868 0.079 0.000 0.930 1117 T HN 0.834 nan 8.240 nan 0.000 0.494 1118 V N 2.279 122.193 119.914 -0.000 0.000 2.394 1118 V HA 0.620 4.740 4.120 -0.000 0.000 0.282 1118 V C -0.858 175.239 176.094 0.006 0.000 1.031 1118 V CA -1.135 61.209 62.300 0.075 0.000 0.881 1118 V CB 0.108 31.970 31.823 0.065 0.000 0.982 1118 V HN 0.626 nan 8.190 nan 0.000 0.451 1119 Y N 3.826 124.194 120.300 0.113 0.000 2.335 1119 Y HA 0.617 5.167 4.550 -0.000 0.000 0.323 1119 Y C 0.703 176.663 175.900 0.100 0.000 1.224 1119 Y CA -0.714 57.456 58.100 0.116 0.000 1.241 1119 Y CB 0.933 39.468 38.460 0.124 0.000 1.235 1119 Y HN 0.519 nan 8.280 nan 0.000 0.492 1120 L N 0.513 121.890 121.223 0.257 0.000 2.247 1120 L HA -0.021 4.319 4.340 -0.000 0.000 0.174 1120 L C 0.490 177.477 176.870 0.195 0.000 0.990 1120 L CA -0.034 54.922 54.840 0.194 0.000 0.956 1120 L CB -0.422 41.763 42.059 0.210 0.000 1.315 1120 L HN 0.633 nan 8.230 nan 0.000 0.522 1121 E N -0.897 119.429 120.200 0.210 0.000 2.214 1121 E HA 0.224 4.574 4.350 -0.000 0.000 0.274 1121 E C -1.778 174.918 176.600 0.158 0.000 0.977 1121 E CA -1.602 54.920 56.400 0.204 0.000 0.827 1121 E CB 1.429 31.317 29.700 0.313 0.000 1.130 1121 E HN 0.234 nan 8.360 nan 0.000 0.394 1122 P HA -0.280 nan 4.420 nan 0.000 0.225 1122 P C 0.826 178.133 177.300 0.011 0.000 1.154 1122 P CA 2.171 65.297 63.100 0.044 0.000 0.933 1122 P CB 0.153 31.866 31.700 0.022 0.000 0.790 1123 G N -1.560 107.206 108.800 -0.056 0.000 2.425 1123 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.213 1123 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.213 1123 G C 0.410 175.231 174.900 -0.131 0.000 1.201 1123 G CA 0.093 45.103 45.100 -0.150 0.000 0.799 1123 G HN 0.336 nan 8.290 nan 0.000 0.534 1124 H N 1.908 121.011 119.070 0.055 0.000 3.659 1124 H HA 0.213 4.769 4.556 -0.000 0.000 0.209 1124 H C 1.226 176.614 175.328 0.100 0.000 0.999 1124 H CA 0.368 56.457 56.048 0.067 0.000 1.398 1124 H CB -0.134 29.662 29.762 0.057 0.000 1.608 1124 H HN 0.320 nan 8.280 nan 0.000 0.589 1125 A N 3.360 126.280 122.820 0.167 0.000 2.353 1125 A HA 0.321 4.641 4.320 -0.000 0.000 0.218 1125 A C 1.940 179.676 177.584 0.252 0.000 1.760 1125 A CA 0.522 52.663 52.037 0.174 0.000 0.638 1125 A CB -0.644 18.423 19.000 0.112 0.000 1.280 1125 A HN 0.583 nan 8.150 nan 0.000 0.511 1126 A N -0.031 122.932 122.820 0.238 0.000 2.346 1126 A HA 0.174 4.494 4.320 -0.000 0.000 0.242 1126 A C 0.552 178.337 177.584 0.336 0.000 1.323 1126 A CA 0.259 52.519 52.037 0.371 0.000 0.940 1126 A CB -0.738 18.407 19.000 0.241 0.000 0.943 1126 A HN 0.445 nan 8.150 nan 0.000 0.501 1127 D N 0.723 121.265 120.400 0.236 0.000 2.662 1127 D HA -0.020 4.620 4.640 -0.000 0.000 0.228 1127 D C 1.482 177.744 176.300 -0.063 0.000 1.090 1127 D CA 0.132 54.199 54.000 0.112 0.000 1.118 1127 D CB 0.071 40.968 40.800 0.161 0.000 1.129 1127 D HN 0.513 nan 8.370 nan 0.000 0.472 1128 Q N 1.782 121.489 119.800 -0.155 0.000 2.129 1128 Q HA -0.306 4.034 4.340 -0.000 0.000 0.218 1128 Q C 1.569 177.244 176.000 -0.541 0.000 1.040 1128 Q CA 2.536 57.984 55.803 -0.591 0.000 0.913 1128 Q CB -0.248 28.308 28.738 -0.304 0.000 1.030 1128 Q HN 0.603 nan 8.270 nan 0.000 0.419 1129 E N -1.436 118.593 120.200 -0.286 0.000 2.158 1129 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 1129 E C 1.939 178.418 176.600 -0.202 0.000 0.982 1129 E CA 0.787 57.047 56.400 -0.233 0.000 0.823 1129 E CB -0.120 29.490 29.700 -0.149 0.000 0.766 1129 E HN 0.446 nan 8.360 nan 0.000 0.468 1130 Q N 0.926 120.628 119.800 -0.164 0.000 2.173 1130 Q HA -0.229 4.110 4.340 -0.000 0.000 0.208 1130 Q C 1.753 177.659 176.000 -0.157 0.000 0.989 1130 Q CA 2.115 57.821 55.803 -0.162 0.000 0.872 1130 Q CB -0.550 28.104 28.738 -0.141 0.000 0.909 1130 Q HN 0.352 nan 8.270 nan 0.000 0.420 1131 A N 0.594 123.307 122.820 -0.178 0.000 1.851 1131 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 1131 A C 1.973 179.461 177.584 -0.161 0.000 1.195 1131 A CA 2.127 54.070 52.037 -0.157 0.000 0.622 1131 A CB -0.647 18.211 19.000 -0.237 0.000 0.831 1131 A HN 0.499 nan 8.150 nan 0.000 0.444 1132 K N -0.214 120.059 120.400 -0.212 0.000 2.034 1132 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 1132 K C 1.856 178.376 176.600 -0.133 0.000 1.051 1132 K CA 1.806 57.983 56.287 -0.183 0.000 0.931 1132 K CB -0.705 31.677 32.500 -0.196 0.000 0.715 1132 K HN 0.488 nan 8.250 nan 0.000 0.446 1133 L N 0.774 121.921 121.223 -0.127 0.000 2.089 1133 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 1133 L C 2.378 179.198 176.870 -0.083 0.000 1.079 1133 L CA 1.320 56.099 54.840 -0.102 0.000 0.758 1133 L CB -0.616 41.376 42.059 -0.111 0.000 0.891 1133 L HN 0.235 nan 8.230 nan 0.000 0.433 1134 I N -1.452 119.068 120.570 -0.084 0.000 2.494 1134 I HA -0.145 4.025 4.170 -0.000 0.000 0.250 1134 I C 2.783 178.875 176.117 -0.042 0.000 1.112 1134 I CA 0.431 61.697 61.300 -0.056 0.000 1.438 1134 I CB -0.482 37.490 38.000 -0.046 0.000 1.111 1134 I HN 0.198 nan 8.210 nan 0.000 0.431 1135 R N 2.025 122.492 120.500 -0.055 0.000 2.096 1135 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 1135 R C 1.630 177.914 176.300 -0.026 0.000 1.139 1135 R CA 2.238 58.314 56.100 -0.040 0.000 0.952 1135 R CB -0.484 29.772 30.300 -0.073 0.000 0.854 1135 R HN 0.462 nan 8.270 nan 0.000 0.436 1136 S N -0.932 114.739 115.700 -0.047 0.000 2.815 1136 S HA 0.408 4.878 4.470 -0.000 0.000 0.254 1136 S C 0.598 175.180 174.600 -0.030 0.000 1.197 1136 S CA 0.032 58.209 58.200 -0.037 0.000 1.216 1136 S CB 0.922 64.089 63.200 -0.056 0.000 0.871 1136 S HN 0.455 nan 8.310 nan 0.000 0.473 1137 A N 0.468 123.277 122.820 -0.019 0.000 2.606 1137 A HA 0.523 4.843 4.320 -0.000 0.000 0.230 1137 A C 1.147 178.733 177.584 0.004 0.000 1.279 1137 A CA -0.148 51.880 52.037 -0.014 0.000 1.010 1137 A CB 0.140 19.127 19.000 -0.021 0.000 1.271 1137 A HN 0.583 nan 8.150 nan 0.000 0.584 1138 I N -1.522 119.055 120.570 0.012 0.000 4.033 1138 I HA 0.191 4.361 4.170 -0.000 0.000 0.296 1138 I C 0.947 177.095 176.117 0.051 0.000 1.210 1138 I CA -0.010 61.307 61.300 0.029 0.000 1.341 1138 I CB -0.154 37.860 38.000 0.024 0.000 1.369 1138 I HN 0.243 nan 8.210 nan 0.000 0.453 1139 E N 3.756 123.985 120.200 0.049 0.000 2.311 1139 E HA -0.150 4.200 4.350 -0.000 0.000 0.247 1139 E C 0.073 176.724 176.600 0.085 0.000 1.215 1139 E CA -0.043 56.400 56.400 0.072 0.000 0.957 1139 E CB -0.219 29.527 29.700 0.077 0.000 1.020 1139 E HN 0.253 nan 8.360 nan 0.000 0.461 1140 H N 3.330 122.400 119.070 -0.001 0.000 3.192 1140 H HA -0.034 4.521 4.556 -0.000 0.000 0.295 1140 H C -0.975 174.348 175.328 -0.008 0.000 0.943 1140 H CA 1.041 57.085 56.048 -0.008 0.000 1.416 1140 H CB 0.413 30.169 29.762 -0.010 0.000 1.434 1140 H HN 0.336 nan 8.280 nan 0.000 0.565 1141 T N 4.892 119.243 114.554 -0.338 0.000 2.881 1141 T HA 0.391 4.741 4.350 -0.000 0.000 0.290 1141 T C -0.570 173.915 174.700 -0.359 0.000 1.000 1141 T CA -0.648 61.298 62.100 -0.257 0.000 0.978 1141 T CB 1.308 70.101 68.868 -0.125 0.000 0.997 1141 T HN 0.707 nan 8.240 nan 0.000 0.443 1142 T N 0.535 114.937 114.554 -0.253 0.000 2.885 1142 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 1142 T C 1.186 175.824 174.700 -0.104 0.000 1.019 1142 T CA -0.919 61.068 62.100 -0.188 0.000 1.010 1142 T CB 1.371 70.159 68.868 -0.133 0.000 1.022 1142 T HN 0.272 nan 8.240 nan 0.000 0.466 1143 L N 1.769 122.942 121.223 -0.083 0.000 2.103 1143 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 1143 L C 2.513 179.360 176.870 -0.037 0.000 1.080 1143 L CA 2.200 57.007 54.840 -0.056 0.000 0.764 1143 L CB -0.846 41.194 42.059 -0.033 0.000 0.890 1143 L HN 0.959 nan 8.230 nan 0.000 0.435 1144 K N -0.626 119.757 120.400 -0.029 0.000 2.020 1144 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 1144 K C 2.035 178.625 176.600 -0.017 0.000 1.050 1144 K CA 1.986 58.264 56.287 -0.014 0.000 0.929 1144 K CB -0.331 32.166 32.500 -0.005 0.000 0.714 1144 K HN 0.638 nan 8.250 nan 0.000 0.443 1145 S N -0.139 115.544 115.700 -0.028 0.000 2.493 1145 S HA -0.093 4.377 4.470 -0.000 0.000 0.243 1145 S C 1.702 176.289 174.600 -0.022 0.000 0.991 1145 S CA 1.266 59.452 58.200 -0.024 0.000 0.957 1145 S CB -0.292 62.888 63.200 -0.033 0.000 0.756 1145 S HN 0.265 nan 8.310 nan 0.000 0.521 1146 V N -1.000 118.898 119.914 -0.027 0.000 3.379 1146 V HA 0.162 4.282 4.120 -0.000 0.000 0.249 1146 V C 0.737 176.821 176.094 -0.016 0.000 1.184 1146 V CA 0.221 62.507 62.300 -0.024 0.000 1.106 1146 V CB -1.186 30.615 31.823 -0.037 0.000 0.826 1146 V HN 0.362 nan 8.190 nan 0.000 0.465 1147 T N 2.100 116.647 114.554 -0.012 0.000 2.799 1147 T HA 0.423 4.773 4.350 -0.000 0.000 0.296 1147 T C 1.243 175.945 174.700 0.004 0.000 0.947 1147 T CA 0.224 62.322 62.100 -0.003 0.000 1.141 1147 T CB 1.391 70.261 68.868 0.002 0.000 0.891 1147 T HN 0.189 nan 8.240 nan 0.000 0.533 1148 I N 1.330 121.904 120.570 0.007 0.000 2.400 1148 I HA 0.224 4.394 4.170 -0.000 0.000 0.248 1148 I C 1.341 177.469 176.117 0.018 0.000 1.109 1148 I CA 0.469 61.776 61.300 0.011 0.000 1.425 1148 I CB -0.046 37.961 38.000 0.012 0.000 1.094 1148 I HN 0.705 nan 8.210 nan 0.000 0.425 1149 A N 0.016 122.849 122.820 0.022 0.000 2.599 1149 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 1149 A C -0.808 176.797 177.584 0.036 0.000 1.055 1149 A CA -0.444 51.612 52.037 0.031 0.000 0.683 1149 A CB 1.113 20.137 19.000 0.040 0.000 1.278 1149 A HN 0.089 nan 8.150 nan 0.000 0.412 1150 S N 0.444 116.170 115.700 0.043 0.000 2.513 1150 S HA 0.879 5.349 4.470 -0.000 0.000 0.299 1150 S C -0.819 173.829 174.600 0.080 0.000 1.087 1150 S CA -0.547 57.682 58.200 0.050 0.000 1.012 1150 S CB 1.712 64.935 63.200 0.038 0.000 1.044 1150 S HN 0.707 nan 8.310 nan 0.000 0.485 1151 E N 1.093 121.362 120.200 0.114 0.000 2.356 1151 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 1151 E C -1.125 175.626 176.600 0.251 0.000 0.904 1151 E CA -0.816 55.712 56.400 0.214 0.000 0.757 1151 E CB 2.245 32.188 29.700 0.404 0.000 1.232 1151 E HN 0.778 nan 8.360 nan 0.000 0.442 1152 I N 0.250 120.987 120.570 0.278 0.000 2.420 1152 I HA 0.448 4.618 4.170 -0.000 0.000 0.282 1152 I C -0.967 175.417 176.117 0.446 0.000 1.019 1152 I CA -0.882 60.589 61.300 0.284 0.000 1.130 1152 I CB 0.080 38.136 38.000 0.093 0.000 1.262 1152 I HN 0.332 nan 8.210 nan 0.000 0.454 1153 Y N 4.186 124.623 120.300 0.227 0.000 2.418 1153 Y HA 0.383 4.933 4.550 -0.000 0.000 0.327 1153 Y C -0.449 175.744 175.900 0.488 0.000 1.309 1153 Y CA -1.130 57.141 58.100 0.284 0.000 1.423 1153 Y CB 0.671 39.229 38.460 0.164 0.000 1.423 1153 Y HN 0.497 nan 8.280 nan 0.000 0.532 1154 Y N 1.616 122.146 120.300 0.383 0.000 2.712 1154 Y HA 0.329 4.879 4.550 -0.000 0.000 0.328 1154 Y C -1.081 174.798 175.900 -0.035 0.000 0.995 1154 Y CA -1.046 57.079 58.100 0.041 0.000 1.283 1154 Y CB 0.285 38.676 38.460 -0.114 0.000 1.092 1154 Y HN 0.479 nan 8.280 nan 0.000 0.519 1155 D N 8.115 128.233 120.400 -0.469 0.000 2.446 1155 D HA 0.258 4.898 4.640 -0.000 0.000 0.251 1155 D C -2.167 173.792 176.300 -0.569 0.000 1.137 1155 D CA -1.701 52.059 54.000 -0.399 0.000 0.890 1155 D CB 2.103 42.826 40.800 -0.128 0.000 1.071 1155 D HN 0.303 nan 8.370 nan 0.000 0.528 1156 P HA 0.014 nan 4.420 nan 0.000 0.245 1156 P C 0.121 177.253 177.300 -0.281 0.000 1.206 1156 P CA 0.123 62.880 63.100 -0.571 0.000 0.781 1156 P CB 0.533 31.889 31.700 -0.572 0.000 0.994 1157 D N 2.328 122.596 120.400 -0.219 0.000 2.441 1157 D HA 0.105 4.745 4.640 -0.000 0.000 0.221 1157 D C -1.514 174.739 176.300 -0.079 0.000 1.156 1157 D CA -2.497 51.432 54.000 -0.119 0.000 0.896 1157 D CB 0.477 41.228 40.800 -0.082 0.000 1.028 1157 D HN 0.079 nan 8.370 nan 0.000 0.509 1158 P HA 0.009 nan 4.420 nan 0.000 0.279 1158 P C -0.247 177.068 177.300 0.026 0.000 1.451 1158 P CA 0.208 63.268 63.100 -0.067 0.000 0.783 1158 P CB 0.074 31.686 31.700 -0.147 0.000 1.490 1159 R N -0.688 119.863 120.500 0.085 0.000 2.534 1159 R HA 0.244 4.584 4.340 -0.000 0.000 0.438 1159 R C -0.199 176.165 176.300 0.107 0.000 0.913 1159 R CA -0.013 56.221 56.100 0.224 0.000 1.130 1159 R CB 0.635 31.047 30.300 0.186 0.000 1.611 1159 R HN 0.246 nan 8.270 nan 0.000 0.571 1160 S N -1.022 114.709 115.700 0.052 0.000 2.712 1160 S HA 0.200 4.670 4.470 -0.000 0.000 0.279 1160 S C -0.972 173.623 174.600 -0.008 0.000 1.025 1160 S CA -0.775 57.424 58.200 -0.001 0.000 0.861 1160 S CB 1.633 64.824 63.200 -0.016 0.000 1.091 1160 S HN -0.057 nan 8.310 nan 0.000 0.457 1161 T N 1.904 116.450 114.554 -0.013 0.000 2.945 1161 T HA 0.547 4.897 4.350 -0.000 0.000 0.286 1161 T C 1.219 175.922 174.700 0.005 0.000 1.025 1161 T CA -0.461 61.633 62.100 -0.009 0.000 1.039 1161 T CB 1.569 70.428 68.868 -0.016 0.000 1.068 1161 T HN 0.782 nan 8.240 nan 0.000 0.497 1162 V N 0.984 120.917 119.914 0.032 0.000 3.129 1162 V HA 0.138 4.257 4.120 -0.000 0.000 0.259 1162 V C 0.741 176.882 176.094 0.079 0.000 1.116 1162 V CA 0.779 63.113 62.300 0.057 0.000 1.127 1162 V CB -0.744 31.135 31.823 0.094 0.000 0.742 1162 V HN 0.649 nan 8.190 nan 0.000 0.474 1163 I N 1.995 122.610 120.570 0.076 0.000 2.396 1163 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 1163 I C -0.873 175.261 176.117 0.029 0.000 0.999 1163 I CA -1.939 59.405 61.300 0.073 0.000 1.310 1163 I CB 1.178 39.205 38.000 0.044 0.000 1.404 1163 I HN -0.027 nan 8.210 nan 0.000 0.496 1164 P HA -0.142 nan 4.420 nan 0.000 0.213 1164 P C 1.047 178.347 177.300 0.001 0.000 1.170 1164 P CA 1.463 64.571 63.100 0.012 0.000 0.889 1164 P CB 0.268 31.978 31.700 0.018 0.000 0.782 1165 E N 0.433 120.637 120.200 0.006 0.000 2.086 1165 E HA -0.235 4.115 4.350 -0.000 0.000 0.205 1165 E C 1.559 178.151 176.600 -0.013 0.000 1.027 1165 E CA 1.988 58.387 56.400 -0.001 0.000 0.830 1165 E CB -0.846 28.855 29.700 0.003 0.000 0.751 1165 E HN 0.300 nan 8.360 nan 0.000 0.456 1166 D N 0.256 120.643 120.400 -0.022 0.000 2.392 1166 D HA -0.075 4.565 4.640 -0.000 0.000 0.228 1166 D C 1.388 177.669 176.300 -0.032 0.000 1.003 1166 D CA 0.327 54.309 54.000 -0.030 0.000 0.917 1166 D CB -0.008 40.762 40.800 -0.049 0.000 0.890 1166 D HN 0.203 nan 8.370 nan 0.000 0.532 1167 E N 0.651 120.833 120.200 -0.030 0.000 2.012 1167 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 1167 E C 1.876 178.437 176.600 -0.064 0.000 1.007 1167 E CA 0.867 57.240 56.400 -0.044 0.000 0.816 1167 E CB -0.152 29.526 29.700 -0.036 0.000 0.762 1167 E HN 0.489 nan 8.360 nan 0.000 0.451 1168 E N 0.900 121.068 120.200 -0.053 0.000 2.065 1168 E HA -0.235 4.115 4.350 -0.000 0.000 0.201 1168 E C 2.231 178.786 176.600 -0.075 0.000 1.016 1168 E CA 1.489 57.851 56.400 -0.063 0.000 0.818 1168 E CB -0.272 29.403 29.700 -0.041 0.000 0.749 1168 E HN 0.235 nan 8.360 nan 0.000 0.453 1169 I N 0.999 121.539 120.570 -0.050 0.000 2.399 1169 I HA -0.299 3.871 4.170 -0.000 0.000 0.254 1169 I C 2.298 178.392 176.117 -0.038 0.000 1.146 1169 I CA 0.852 62.132 61.300 -0.034 0.000 1.412 1169 I CB -0.459 37.534 38.000 -0.012 0.000 1.076 1169 I HN 0.223 nan 8.210 nan 0.000 0.432 1170 I N 0.487 121.006 120.570 -0.085 0.000 2.072 1170 I HA -0.303 3.867 4.170 -0.000 0.000 0.235 1170 I C 2.535 178.385 176.117 -0.444 0.000 1.058 1170 I CA 1.508 62.725 61.300 -0.139 0.000 1.320 1170 I CB -0.852 37.037 38.000 -0.186 0.000 1.047 1170 I HN 0.152 nan 8.210 nan 0.000 0.397 1171 Q N 0.700 120.159 119.800 -0.568 0.000 2.308 1171 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 1171 Q C 2.296 178.103 176.000 -0.321 0.000 0.985 1171 Q CA 1.311 56.729 55.803 -0.642 0.000 0.881 1171 Q CB -0.228 28.287 28.738 -0.370 0.000 0.917 1171 Q HN 0.585 nan 8.270 nan 0.000 0.443 1172 L N -0.863 120.255 121.223 -0.175 0.000 2.240 1172 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 1172 L C 1.400 178.231 176.870 -0.064 0.000 1.106 1172 L CA 0.574 55.353 54.840 -0.102 0.000 0.793 1172 L CB -0.152 41.850 42.059 -0.094 0.000 0.927 1172 L HN 0.267 nan 8.230 nan 0.000 0.446 1173 H N -0.640 118.448 119.070 0.030 0.000 2.540 1173 H HA 0.152 4.708 4.556 -0.000 0.000 0.264 1173 H C 0.052 175.680 175.328 0.499 0.000 1.427 1173 H CA 0.021 56.154 56.048 0.141 0.000 1.103 1173 H CB 0.388 30.165 29.762 0.026 0.000 1.572 1173 H HN 0.142 nan 8.280 nan 0.000 0.511 1174 F N -1.018 118.954 119.950 0.037 0.000 2.570 1174 F HA 0.072 4.599 4.527 -0.000 0.000 0.290 1174 F C 1.213 177.012 175.800 -0.001 0.000 0.910 1174 F CA -0.085 57.935 58.000 0.034 0.000 1.119 1174 F CB 0.145 39.154 39.000 0.016 0.000 0.922 1174 F HN 0.049 nan 8.300 nan 0.000 0.703 1175 S N 0.807 116.608 115.700 0.169 0.000 2.621 1175 S HA 0.658 5.128 4.470 -0.000 0.000 0.302 1175 S C -0.140 174.459 174.600 -0.001 0.000 1.093 1175 S CA -0.741 57.498 58.200 0.064 0.000 1.017 1175 S CB 1.704 64.933 63.200 0.048 0.000 1.077 1175 S HN 0.090 nan 8.310 nan 0.000 0.517 1188 Q N 1.063 120.801 119.800 -0.102 0.000 3.081 1188 Q HA 0.597 4.936 4.340 -0.000 0.000 0.219 1188 Q C -0.403 175.579 176.000 -0.031 0.000 1.169 1188 Q CA 0.121 55.871 55.803 -0.087 0.000 0.309 1188 Q CB 1.126 29.769 28.738 -0.159 0.000 5.821 1188 Q HN 0.117 nan 8.270 nan 0.000 0.320 1189 S N -0.365 115.321 115.700 -0.024 0.000 2.550 1189 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 1189 S C -2.489 172.087 174.600 -0.040 0.000 1.145 1189 S CA -1.414 56.798 58.200 0.021 0.000 0.852 1189 S CB 1.639 64.908 63.200 0.115 0.000 1.119 1189 S HN 0.259 nan 8.310 nan 0.000 0.465 1190 P HA 0.176 nan 4.420 nan 0.000 0.251 1190 P C -0.376 176.681 177.300 -0.405 0.000 1.223 1190 P CA 0.046 62.931 63.100 -0.359 0.000 0.796 1190 P CB -0.026 31.396 31.700 -0.463 0.000 1.068 1191 W N 1.176 122.498 121.300 0.037 0.000 2.358 1191 W HA 0.357 5.017 4.660 -0.000 0.000 0.307 1191 W C 0.343 176.896 176.519 0.057 0.000 1.203 1191 W CA -1.010 56.389 57.345 0.089 0.000 1.279 1191 W CB 0.662 30.191 29.460 0.116 0.000 1.264 1191 W HN -0.116 nan 8.180 nan 0.000 0.474 1192 L N 5.372 126.854 121.223 0.431 0.000 2.379 1192 L HA 0.632 4.972 4.340 -0.000 0.000 0.269 1192 L C -1.066 175.937 176.870 0.222 0.000 1.084 1192 L CA -0.790 54.199 54.840 0.248 0.000 0.802 1192 L CB 1.029 43.193 42.059 0.175 0.000 1.175 1192 L HN 0.325 nan 8.230 nan 0.000 0.448 1193 L N 4.177 125.469 121.223 0.115 0.000 2.457 1193 L HA 0.561 4.901 4.340 -0.000 0.000 0.266 1193 L C -0.725 176.159 176.870 0.024 0.000 0.979 1193 L CA -0.322 54.561 54.840 0.072 0.000 0.857 1193 L CB 1.126 43.204 42.059 0.032 0.000 1.213 1193 L HN 0.745 nan 8.230 nan 0.000 0.418 1194 R N 3.978 124.485 120.500 0.011 0.000 2.457 1194 R HA 0.852 5.192 4.340 -0.000 0.000 0.284 1194 R C -1.502 174.797 176.300 -0.002 0.000 1.024 1194 R CA -0.314 55.760 56.100 -0.043 0.000 1.025 1194 R CB 0.972 31.184 30.300 -0.146 0.000 1.063 1194 R HN 0.732 nan 8.270 nan 0.000 0.493 1195 L N 2.829 124.048 121.223 -0.006 0.000 2.541 1195 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 1195 L C -0.904 175.969 176.870 0.005 0.000 0.966 1195 L CA -0.435 54.409 54.840 0.008 0.000 0.871 1195 L CB 2.034 44.099 42.059 0.010 0.000 1.232 1195 L HN 0.651 nan 8.230 nan 0.000 0.408 1196 E N 4.445 124.651 120.200 0.009 0.000 2.109 1196 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 1196 E C -1.074 175.530 176.600 0.007 0.000 0.954 1196 E CA -0.553 55.852 56.400 0.009 0.000 0.779 1196 E CB 1.185 30.894 29.700 0.015 0.000 1.093 1196 E HN 0.484 nan 8.360 nan 0.000 0.401 1197 L N 2.756 123.981 121.223 0.003 0.000 2.399 1197 L HA 0.300 4.640 4.340 -0.000 0.000 0.265 1197 L C 0.633 177.502 176.870 -0.001 0.000 1.089 1197 L CA -0.675 54.162 54.840 -0.005 0.000 0.802 1197 L CB 0.762 42.811 42.059 -0.016 0.000 1.180 1197 L HN 0.503 nan 8.230 nan 0.000 0.454 1198 D N 0.654 121.051 120.400 -0.005 0.000 2.256 1198 D HA 0.082 4.722 4.640 -0.000 0.000 0.250 1198 D C 0.757 177.055 176.300 -0.004 0.000 1.093 1198 D CA -0.110 53.889 54.000 -0.002 0.000 0.882 1198 D CB 1.530 42.328 40.800 -0.002 0.000 1.185 1198 D HN 0.422 nan 8.370 nan 0.000 0.437 1199 R N 2.662 123.162 120.500 -0.000 0.000 2.066 1199 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 1199 R C 1.916 178.214 176.300 -0.003 0.000 1.131 1199 R CA 1.578 57.678 56.100 -0.001 0.000 0.955 1199 R CB -0.065 30.237 30.300 0.002 0.000 0.851 1199 R HN 0.533 nan 8.270 nan 0.000 0.432 1200 A N 0.423 123.242 122.820 -0.002 0.000 1.929 1200 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 1200 A C 2.246 179.829 177.584 -0.002 0.000 1.176 1200 A CA 1.380 53.416 52.037 -0.001 0.000 0.628 1200 A CB -0.580 18.420 19.000 0.001 0.000 0.816 1200 A HN 0.481 nan 8.150 nan 0.000 0.444 1201 A N -0.957 121.861 122.820 -0.003 0.000 2.070 1201 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 1201 A C 1.788 179.366 177.584 -0.011 0.000 1.159 1201 A CA 1.560 53.594 52.037 -0.005 0.000 0.656 1201 A CB -0.411 18.584 19.000 -0.008 0.000 0.800 1201 A HN 0.409 nan 8.150 nan 0.000 0.453 1202 M N 0.109 119.700 119.600 -0.014 0.000 2.581 1202 M HA 0.118 4.598 4.480 -0.000 0.000 0.224 1202 M C 0.502 176.791 176.300 -0.020 0.000 1.171 1202 M CA 0.375 55.662 55.300 -0.022 0.000 0.993 1202 M CB -0.848 31.738 32.600 -0.024 0.000 1.685 1202 M HN 0.405 nan 8.290 nan 0.000 0.479 1203 N N -0.265 118.427 118.700 -0.014 0.000 2.594 1203 N HA -0.045 4.695 4.740 -0.000 0.000 0.237 1203 N C 1.268 176.770 175.510 -0.014 0.000 1.057 1203 N CA 0.292 53.333 53.050 -0.015 0.000 0.883 1203 N CB 0.214 38.695 38.487 -0.011 0.000 1.538 1203 N HN 0.299 nan 8.380 nan 0.000 0.451 1204 D N 1.361 121.761 120.400 0.001 0.000 2.149 1204 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 1204 D C -0.167 176.146 176.300 0.021 0.000 0.990 1204 D CA 1.102 55.116 54.000 0.023 0.000 0.839 1204 D CB 0.323 41.151 40.800 0.047 0.000 0.948 1204 D HN 0.164 nan 8.370 nan 0.000 0.460 1205 K N 1.719 122.124 120.400 0.008 0.000 2.679 1205 K HA 0.100 4.420 4.320 -0.000 0.000 0.188 1205 K C -0.862 175.723 176.600 -0.025 0.000 1.055 1205 K CA -0.577 55.709 56.287 -0.002 0.000 1.006 1205 K CB 1.334 33.836 32.500 0.003 0.000 1.317 1205 K HN -0.021 nan 8.250 nan 0.000 0.584 1206 D N 2.794 123.174 120.400 -0.034 0.000 3.139 1206 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 1206 D C -0.453 175.821 176.300 -0.042 0.000 1.084 1206 D CA 1.310 55.287 54.000 -0.039 0.000 0.777 1206 D CB 0.474 41.246 40.800 -0.046 0.000 1.156 1206 D HN 0.363 nan 8.370 nan 0.000 0.537 1207 L N 2.111 123.309 121.223 -0.042 0.000 2.479 1207 L HA 0.408 4.748 4.340 -0.000 0.000 0.255 1207 L C -0.147 176.692 176.870 -0.052 0.000 1.026 1207 L CA -0.786 54.023 54.840 -0.053 0.000 0.842 1207 L CB 2.595 44.617 42.059 -0.061 0.000 1.444 1207 L HN 0.150 nan 8.230 nan 0.000 0.409 1208 T N 0.822 115.334 114.554 -0.071 0.000 2.848 1208 T HA 0.302 4.652 4.350 -0.000 0.000 0.285 1208 T C 0.903 175.523 174.700 -0.133 0.000 0.995 1208 T CA -0.656 61.403 62.100 -0.069 0.000 0.970 1208 T CB 1.870 70.707 68.868 -0.052 0.000 0.976 1208 T HN 0.413 nan 8.240 nan 0.000 0.441 1209 M N 1.668 121.198 119.600 -0.118 0.000 2.195 1209 M HA -0.051 4.429 4.480 -0.000 0.000 0.260 1209 M C 2.371 178.326 176.300 -0.576 0.000 1.066 1209 M CA 1.553 56.700 55.300 -0.254 0.000 1.089 1209 M CB -1.578 31.006 32.600 -0.028 0.000 1.377 1209 M HN 0.855 nan 8.290 nan 0.000 0.411 1210 G N 0.252 108.901 108.800 -0.251 0.000 2.552 1210 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 1210 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 1210 G C 1.377 176.067 174.900 -0.350 0.000 1.240 1210 G CA 0.800 45.787 45.100 -0.188 0.000 0.796 1210 G HN 0.506 nan 8.290 nan 0.000 0.568 1211 Q N -0.102 119.574 119.800 -0.206 0.000 2.028 1211 Q HA -0.219 4.120 4.340 -0.000 0.000 0.213 1211 Q C 2.779 178.615 176.000 -0.272 0.000 1.017 1211 Q CA 2.237 57.929 55.803 -0.185 0.000 0.875 1211 Q CB -0.881 27.779 28.738 -0.129 0.000 0.962 1211 Q HN 0.332 nan 8.270 nan 0.000 0.413 1212 V N 0.813 120.543 119.914 -0.307 0.000 2.250 1212 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 1212 V C 2.235 178.104 176.094 -0.375 0.000 1.039 1212 V CA 2.327 64.441 62.300 -0.311 0.000 1.042 1212 V CB -1.690 29.940 31.823 -0.322 0.000 0.673 1212 V HN 0.700 nan 8.190 nan 0.000 0.477 1213 G N -1.057 107.340 108.800 -0.672 0.000 2.440 1213 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 1213 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 1213 G C 1.381 176.033 174.900 -0.412 0.000 1.154 1213 G CA 0.947 45.655 45.100 -0.653 0.000 0.767 1213 G HN 0.547 nan 8.290 nan 0.000 0.552 1214 E N 0.321 120.244 120.200 -0.462 0.000 2.136 1214 E HA -0.244 4.106 4.350 -0.000 0.000 0.208 1214 E C 2.527 179.075 176.600 -0.087 0.000 1.035 1214 E CA 1.435 57.743 56.400 -0.153 0.000 0.838 1214 E CB -0.226 29.402 29.700 -0.119 0.000 0.748 1214 E HN 0.298 nan 8.360 nan 0.000 0.459 1215 R N 0.610 121.035 120.500 -0.124 0.000 2.061 1215 R HA 0.003 4.343 4.340 -0.000 0.000 0.230 1215 R C 2.535 178.810 176.300 -0.042 0.000 1.140 1215 R CA 1.251 57.303 56.100 -0.081 0.000 0.940 1215 R CB -0.910 29.331 30.300 -0.099 0.000 0.839 1215 R HN 0.206 nan 8.270 nan 0.000 0.429 1216 I N 0.787 121.340 120.570 -0.029 0.000 2.143 1216 I HA -0.400 3.770 4.170 -0.000 0.000 0.245 1216 I C 2.444 178.694 176.117 0.221 0.000 1.068 1216 I CA 1.957 63.325 61.300 0.114 0.000 1.326 1216 I CB -0.510 37.565 38.000 0.124 0.000 1.028 1216 I HN 0.237 nan 8.210 nan 0.000 0.412 1217 K N 1.261 121.741 120.400 0.134 0.000 2.009 1217 K HA -0.257 4.063 4.320 -0.000 0.000 0.210 1217 K C 2.233 178.916 176.600 0.139 0.000 1.049 1217 K CA 2.065 58.448 56.287 0.161 0.000 0.929 1217 K CB -0.172 32.414 32.500 0.145 0.000 0.714 1217 K HN 0.540 nan 8.250 nan 0.000 0.440 1218 Q N -0.903 118.941 119.800 0.073 0.000 2.436 1218 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 1218 Q C 1.162 177.163 176.000 0.001 0.000 0.965 1218 Q CA 1.392 57.219 55.803 0.040 0.000 0.910 1218 Q CB 0.138 28.885 28.738 0.016 0.000 0.980 1218 Q HN 0.143 nan 8.270 nan 0.000 0.491 1219 T N -0.018 114.518 114.554 -0.029 0.000 2.937 1219 T HA 0.055 4.405 4.350 -0.000 0.000 0.260 1219 T C 0.790 175.307 174.700 -0.305 0.000 1.051 1219 T CA 0.933 62.907 62.100 -0.210 0.000 1.141 1219 T CB -0.076 68.581 68.868 -0.351 0.000 0.879 1219 T HN 0.321 nan 8.240 nan 0.000 0.459 1220 F N 0.547 120.506 119.950 0.014 0.000 2.419 1220 F HA 0.357 4.884 4.527 -0.000 0.000 0.283 1220 F C 1.385 177.202 175.800 0.029 0.000 1.044 1220 F CA -0.179 57.835 58.000 0.023 0.000 1.376 1220 F CB 0.015 39.032 39.000 0.030 0.000 1.131 1220 F HN -0.049 nan 8.300 nan 0.000 0.585 1221 K N -0.536 120.007 120.400 0.238 0.000 6.405 1221 K HA -0.284 4.036 4.320 -0.000 0.000 0.193 1221 K C -0.425 176.256 176.600 0.135 0.000 1.477 1221 K CA 1.014 57.389 56.287 0.146 0.000 0.758 1221 K CB -1.318 31.239 32.500 0.095 0.000 0.576 1221 K HN -0.009 nan 8.250 nan 0.000 0.536 1222 N N 2.624 121.387 118.700 0.106 0.000 3.245 1222 N HA 0.141 4.881 4.740 -0.000 0.000 0.296 1222 N C -1.180 174.383 175.510 0.088 0.000 1.254 1222 N CA 0.925 54.029 53.050 0.090 0.000 1.190 1222 N CB -0.055 38.472 38.487 0.068 0.000 1.460 1222 N HN 0.473 nan 8.380 nan 0.000 0.538 1223 D N -1.374 119.087 120.400 0.101 0.000 3.007 1223 D HA 0.057 4.697 4.640 -0.000 0.000 0.345 1223 D C -0.848 175.498 176.300 0.076 0.000 1.445 1223 D CA -0.428 53.624 54.000 0.086 0.000 0.940 1223 D CB -0.731 40.123 40.800 0.089 0.000 1.707 1223 D HN 0.095 nan 8.370 nan 0.000 0.377 1224 L N 0.604 121.880 121.223 0.088 0.000 2.588 1224 L HA 0.672 5.012 4.340 -0.000 0.000 0.263 1224 L C -2.238 174.702 176.870 0.116 0.000 0.935 1224 L CA -1.059 53.809 54.840 0.046 0.000 0.891 1224 L CB 1.803 43.799 42.059 -0.105 0.000 1.318 1224 L HN 0.036 nan 8.230 nan 0.000 0.409 1225 F N 6.089 126.021 119.950 -0.030 0.000 2.415 1225 F HA 0.841 5.368 4.527 -0.000 0.000 0.348 1225 F C -0.974 174.811 175.800 -0.025 0.000 1.119 1225 F CA -0.317 57.668 58.000 -0.025 0.000 1.069 1225 F CB 1.287 40.262 39.000 -0.041 0.000 1.124 1225 F HN 0.306 nan 8.300 nan 0.000 0.472 1226 V N 7.019 126.559 119.914 -0.623 0.000 3.007 1226 V HA 0.578 4.698 4.120 -0.000 0.000 0.311 1226 V C -0.272 175.460 176.094 -0.603 0.000 1.120 1226 V CA -0.867 61.176 62.300 -0.429 0.000 0.980 1226 V CB 2.008 33.795 31.823 -0.060 0.000 1.033 1226 V HN 0.746 nan 8.190 nan 0.000 0.429 1227 I N 1.554 121.905 120.570 -0.365 0.000 3.279 1227 I HA 0.745 4.915 4.170 -0.000 0.000 0.315 1227 I C -1.554 174.578 176.117 0.026 0.000 1.187 1227 I CA -0.658 60.332 61.300 -0.517 0.000 0.953 1227 I CB 2.697 40.356 38.000 -0.567 0.000 1.279 1227 I HN 0.932 nan 8.210 nan 0.000 0.465 1228 W N 0.633 121.854 121.300 -0.133 0.000 3.161 1228 W HA 0.625 5.284 4.660 -0.000 0.000 0.314 1228 W C -0.552 175.976 176.519 0.016 0.000 1.245 1228 W CA -0.727 56.590 57.345 -0.047 0.000 1.191 1228 W CB -0.091 29.344 29.460 -0.042 0.000 1.392 1228 W HN 0.605 nan 8.180 nan 0.000 0.568 1229 S N 0.482 116.332 115.700 0.249 0.000 2.502 1229 S HA 0.571 5.041 4.470 -0.000 0.000 0.251 1229 S C -0.451 174.294 174.600 0.242 0.000 1.254 1229 S CA -0.164 58.128 58.200 0.154 0.000 0.989 1229 S CB 0.447 63.708 63.200 0.102 0.000 1.015 1229 S HN 0.638 nan 8.310 nan 0.000 0.529 1230 E N -0.551 119.741 120.200 0.154 0.000 2.308 1230 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 1230 E C -0.444 176.212 176.600 0.094 0.000 0.890 1230 E CA -0.609 55.884 56.400 0.155 0.000 0.754 1230 E CB 1.656 31.423 29.700 0.111 0.000 1.207 1230 E HN 0.539 nan 8.360 nan 0.000 0.426 1231 D N 1.390 121.840 120.400 0.083 0.000 2.346 1231 D HA -0.261 4.378 4.640 -0.000 0.000 0.202 1231 D C 1.106 177.425 176.300 0.033 0.000 1.007 1231 D CA 1.215 55.242 54.000 0.045 0.000 0.923 1231 D CB 0.230 41.049 40.800 0.033 0.000 0.891 1231 D HN 0.380 nan 8.370 nan 0.000 0.460 1232 N N 0.857 119.578 118.700 0.035 0.000 2.207 1232 N HA -0.082 4.657 4.740 -0.000 0.000 0.182 1232 N C 0.383 175.905 175.510 0.020 0.000 1.020 1232 N CA 0.543 53.607 53.050 0.023 0.000 0.858 1232 N CB 0.290 38.788 38.487 0.020 0.000 0.991 1232 N HN 0.167 nan 8.380 nan 0.000 0.427 1233 D N 0.565 120.980 120.400 0.025 0.000 2.335 1233 D HA -0.099 4.541 4.640 -0.000 0.000 0.236 1233 D C 1.062 177.373 176.300 0.018 0.000 1.297 1233 D CA 0.336 54.349 54.000 0.020 0.000 0.906 1233 D CB 0.437 41.252 40.800 0.025 0.000 1.164 1233 D HN 0.471 nan 8.370 nan 0.000 0.469 1234 E N -0.633 119.576 120.200 0.014 0.000 2.474 1234 E HA 0.067 4.417 4.350 -0.000 0.000 0.195 1234 E C 0.018 176.626 176.600 0.014 0.000 1.039 1234 E CA 0.107 56.514 56.400 0.012 0.000 0.881 1234 E CB 0.436 30.142 29.700 0.009 0.000 0.970 1234 E HN 0.107 nan 8.360 nan 0.000 0.486 1235 K N 1.690 122.100 120.400 0.017 0.000 2.640 1235 K HA 0.317 4.637 4.320 -0.000 0.000 0.245 1235 K C -1.071 175.544 176.600 0.025 0.000 0.962 1235 K CA -0.497 55.801 56.287 0.017 0.000 0.896 1235 K CB 1.501 34.009 32.500 0.013 0.000 1.147 1235 K HN 0.101 nan 8.250 nan 0.000 0.445 1236 L N 5.869 127.107 121.223 0.025 0.000 2.361 1236 L HA 0.404 4.744 4.340 -0.000 0.000 0.278 1236 L C -0.029 176.860 176.870 0.032 0.000 1.113 1236 L CA 0.034 54.894 54.840 0.033 0.000 0.849 1236 L CB -0.053 42.017 42.059 0.019 0.000 1.155 1236 L HN 0.454 nan 8.230 nan 0.000 0.452 1237 I N 4.258 124.860 120.570 0.054 0.000 2.802 1237 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 1237 I C -0.667 175.504 176.117 0.089 0.000 1.176 1237 I CA -0.519 60.807 61.300 0.044 0.000 1.025 1237 I CB 3.054 41.063 38.000 0.016 0.000 1.243 1237 I HN 0.443 nan 8.210 nan 0.000 0.424 1238 I N 4.565 125.172 120.570 0.061 0.000 2.439 1238 I HA 0.459 4.629 4.170 -0.000 0.000 0.283 1238 I C -0.375 175.765 176.117 0.038 0.000 1.023 1238 I CA -0.520 60.836 61.300 0.092 0.000 1.100 1238 I CB 1.515 39.549 38.000 0.057 0.000 1.238 1238 I HN 0.443 nan 8.210 nan 0.000 0.445 1239 R N 4.676 125.192 120.500 0.027 0.000 2.643 1239 R HA 0.891 5.231 4.340 -0.000 0.000 0.272 1239 R C -1.037 175.252 176.300 -0.020 0.000 0.995 1239 R CA -0.511 55.586 56.100 -0.005 0.000 1.032 1239 R CB 1.953 32.249 30.300 -0.007 0.000 1.126 1239 R HN 0.835 nan 8.270 nan 0.000 0.505 1240 C N -0.596 118.713 119.300 0.015 0.000 3.268 1240 C HA 0.507 4.967 4.460 -0.000 0.000 0.374 1240 C C -1.062 173.977 174.990 0.081 0.000 1.126 1240 C CA -1.377 57.656 59.018 0.024 0.000 1.162 1240 C CB 1.277 28.986 27.740 -0.052 0.000 1.503 1240 C HN 0.912 nan 8.230 nan 0.000 0.538 1241 R N 1.218 121.802 120.500 0.141 0.000 2.836 1241 R HA 0.824 5.164 4.340 -0.000 0.000 0.269 1241 R C 0.128 176.484 176.300 0.093 0.000 1.010 1241 R CA -0.679 55.497 56.100 0.127 0.000 0.930 1241 R CB 1.785 32.167 30.300 0.137 0.000 1.218 1241 R HN 0.615 nan 8.270 nan 0.000 0.473 1242 V N 0.311 120.273 119.914 0.080 0.000 4.131 1242 V HA 0.256 4.376 4.120 -0.000 0.000 0.262 1242 V C 0.730 176.861 176.094 0.061 0.000 0.852 1242 V CA 0.103 62.437 62.300 0.056 0.000 0.830 1242 V CB -0.012 31.856 31.823 0.074 0.000 1.159 1242 V HN 0.629 nan 8.190 nan 0.000 0.384 1255 E N -0.311 119.945 120.200 0.093 0.000 3.481 1255 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 1255 E C -0.283 176.371 176.600 0.090 0.000 1.203 1255 E CA 0.414 56.868 56.400 0.091 0.000 0.710 1255 E CB -0.878 28.850 29.700 0.048 0.000 0.788 1255 E HN 0.616 nan 8.360 nan 0.000 0.384 1256 E N 0.717 120.981 120.200 0.108 0.000 2.201 1256 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 1256 E C 0.884 177.418 176.600 -0.109 0.000 0.957 1256 E CA -0.012 56.431 56.400 0.072 0.000 0.858 1256 E CB 0.310 30.163 29.700 0.254 0.000 0.816 1256 E HN 0.331 nan 8.360 nan 0.000 0.475 1257 D N 0.972 121.173 120.400 -0.332 0.000 2.158 1257 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 1257 D C 1.828 177.986 176.300 -0.237 0.000 0.995 1257 D CA 1.170 54.864 54.000 -0.511 0.000 0.846 1257 D CB -0.112 40.334 40.800 -0.589 0.000 0.941 1257 D HN 0.229 nan 8.370 nan 0.000 0.456 1258 H N 0.291 119.265 119.070 -0.160 0.000 2.293 1258 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 1258 H C 2.283 177.570 175.328 -0.069 0.000 1.082 1258 H CA 1.041 57.033 56.048 -0.093 0.000 1.308 1258 H CB -0.023 29.707 29.762 -0.054 0.000 1.375 1258 H HN 0.140 nan 8.280 nan 0.000 0.495 1259 M N -0.020 119.643 119.600 0.105 0.000 2.123 1259 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 1259 M C 0.810 177.120 176.300 0.017 0.000 1.069 1259 M CA 0.404 55.742 55.300 0.064 0.000 1.133 1259 M CB 0.016 32.649 32.600 0.055 0.000 1.356 1259 M HN 0.024 nan 8.290 nan 0.000 0.415 1260 L N 1.798 123.008 121.223 -0.022 0.000 2.449 1260 L HA 0.015 4.355 4.340 -0.000 0.000 0.266 1260 L C 0.462 177.297 176.870 -0.059 0.000 1.321 1260 L CA 1.253 56.070 54.840 -0.038 0.000 1.194 1260 L CB -1.160 40.877 42.059 -0.038 0.000 1.384 1260 L HN 0.263 nan 8.230 nan 0.000 0.438 1261 K N 0.481 120.865 120.400 -0.028 0.000 1.602 1261 K HA 0.029 4.349 4.320 -0.000 0.000 0.104 1261 K C 1.343 177.946 176.600 0.005 0.000 2.223 1261 K CA 0.245 56.515 56.287 -0.029 0.000 1.027 1261 K CB 0.034 32.490 32.500 -0.074 0.000 2.408 1261 K HN 0.375 nan 8.250 nan 0.000 0.369 1262 K N 0.638 121.054 120.400 0.026 0.000 2.186 1262 K HA 0.203 4.523 4.320 -0.000 0.000 0.202 1262 K C 1.568 178.217 176.600 0.080 0.000 1.052 1262 K CA 1.028 57.346 56.287 0.052 0.000 0.965 1262 K CB 0.298 32.837 32.500 0.066 0.000 0.746 1262 K HN 0.133 nan 8.250 nan 0.000 0.457 1263 I N 1.289 121.906 120.570 0.078 0.000 2.761 1263 I HA -0.157 4.013 4.170 -0.000 0.000 0.261 1263 I C 2.343 178.528 176.117 0.112 0.000 1.198 1263 I CA 0.754 62.127 61.300 0.123 0.000 1.482 1263 I CB -0.096 37.903 38.000 -0.002 0.000 1.100 1263 I HN 0.168 nan 8.210 nan 0.000 0.445 1264 E N 1.760 121.994 120.200 0.057 0.000 2.072 1264 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 1264 E C 1.786 178.427 176.600 0.068 0.000 0.985 1264 E CA 1.636 58.065 56.400 0.048 0.000 0.801 1264 E CB -0.190 29.523 29.700 0.020 0.000 0.750 1264 E HN 0.359 nan 8.360 nan 0.000 0.452 1265 N N -0.240 118.499 118.700 0.065 0.000 2.207 1265 N HA -0.055 4.685 4.740 -0.000 0.000 0.182 1265 N C 1.648 177.202 175.510 0.073 0.000 1.020 1265 N CA 1.726 54.811 53.050 0.057 0.000 0.858 1265 N CB -0.481 38.031 38.487 0.042 0.000 0.991 1265 N HN 0.253 nan 8.380 nan 0.000 0.427 1266 T N 1.698 116.314 114.554 0.104 0.000 2.869 1266 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 1266 T C 1.908 176.665 174.700 0.095 0.000 1.082 1266 T CA 1.017 63.176 62.100 0.098 0.000 1.123 1266 T CB -0.051 68.911 68.868 0.157 0.000 0.856 1266 T HN 0.267 nan 8.240 nan 0.000 0.499 1267 M N -0.127 119.567 119.600 0.158 0.000 2.394 1267 M HA 0.214 4.693 4.480 -0.000 0.000 0.266 1267 M C 1.762 178.100 176.300 0.063 0.000 1.098 1267 M CA 0.955 56.341 55.300 0.143 0.000 1.149 1267 M CB -0.166 32.548 32.600 0.190 0.000 1.369 1267 M HN 0.185 nan 8.290 nan 0.000 0.450 1268 L N -0.317 120.938 121.223 0.053 0.000 2.554 1268 L HA -0.019 4.321 4.340 -0.000 0.000 0.226 1268 L C 1.182 178.065 176.870 0.022 0.000 1.137 1268 L CA 0.743 55.602 54.840 0.030 0.000 0.863 1268 L CB -0.063 42.014 42.059 0.030 0.000 0.985 1268 L HN 0.350 nan 8.230 nan 0.000 0.451 1269 E N -2.128 118.087 120.200 0.024 0.000 2.646 1269 E HA 0.066 4.416 4.350 -0.000 0.000 0.207 1269 E C 0.954 177.567 176.600 0.022 0.000 0.922 1269 E CA -0.131 56.284 56.400 0.024 0.000 1.482 1269 E CB 0.374 30.090 29.700 0.026 0.000 1.509 1269 E HN 0.253 nan 8.360 nan 0.000 0.831 1270 N N 0.806 119.508 118.700 0.005 0.000 2.409 1270 N HA 0.141 4.881 4.740 -0.000 0.000 0.174 1270 N C 0.504 175.991 175.510 -0.038 0.000 1.037 1270 N CA 0.319 53.359 53.050 -0.016 0.000 0.898 1270 N CB 1.013 39.475 38.487 -0.042 0.000 1.010 1270 N HN 0.114 nan 8.380 nan 0.000 0.445 1271 I N 1.967 122.508 120.570 -0.048 0.000 2.471 1271 I HA 0.001 4.170 4.170 -0.000 0.000 0.286 1271 I C -0.107 175.965 176.117 -0.075 0.000 1.079 1271 I CA 0.451 61.707 61.300 -0.072 0.000 1.398 1271 I CB 0.801 38.766 38.000 -0.057 0.000 1.403 1271 I HN -0.105 nan 8.210 nan 0.000 0.530 1272 T N 6.831 121.334 114.554 -0.086 0.000 2.912 1272 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 1272 T C 0.353 174.976 174.700 -0.128 0.000 1.030 1272 T CA -0.535 61.486 62.100 -0.133 0.000 1.020 1272 T CB 2.531 71.371 68.868 -0.048 0.000 1.056 1272 T HN 0.270 nan 8.240 nan 0.000 0.480 1273 L N 0.351 121.477 121.223 -0.162 0.000 2.862 1273 L HA 0.480 4.820 4.340 -0.000 0.000 0.169 1273 L C 0.860 177.673 176.870 -0.094 0.000 1.164 1273 L CA 0.718 55.486 54.840 -0.120 0.000 0.858 1273 L CB -0.135 41.851 42.059 -0.122 0.000 1.329 1273 L HN 0.403 nan 8.230 nan 0.000 0.514 1274 R N -0.939 119.499 120.500 -0.103 0.000 2.873 1274 R HA 0.612 4.952 4.340 -0.000 0.000 0.264 1274 R C -0.234 176.054 176.300 -0.021 0.000 1.026 1274 R CA -0.237 55.829 56.100 -0.056 0.000 1.002 1274 R CB 1.455 31.726 30.300 -0.049 0.000 1.174 1274 R HN 0.270 nan 8.270 nan 0.000 0.488 1275 G N 0.080 108.890 108.800 0.018 0.000 2.796 1275 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 1275 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 1275 G C -0.936 174.027 174.900 0.104 0.000 1.381 1275 G CA -0.594 44.544 45.100 0.064 0.000 0.867 1275 G HN 0.423 nan 8.290 nan 0.000 0.552 1276 V N 0.745 120.718 119.914 0.097 0.000 2.769 1276 V HA 0.603 4.723 4.120 -0.000 0.000 0.312 1276 V C 0.800 176.905 176.094 0.018 0.000 1.058 1276 V CA -0.004 62.336 62.300 0.065 0.000 0.952 1276 V CB 1.658 33.495 31.823 0.023 0.000 1.019 1276 V HN 1.212 nan 8.190 nan 0.000 0.445 1277 E N 2.944 123.091 120.200 -0.087 0.000 2.422 1277 E HA 0.120 4.470 4.350 -0.000 0.000 0.260 1277 E C 0.353 176.802 176.600 -0.250 0.000 1.108 1277 E CA 0.151 56.336 56.400 -0.359 0.000 0.943 1277 E CB 0.123 29.650 29.700 -0.289 0.000 0.961 1277 E HN 0.656 nan 8.360 nan 0.000 0.443 1278 N N -0.516 117.995 118.700 -0.316 0.000 2.884 1278 N HA -0.225 4.515 4.740 -0.000 0.000 0.210 1278 N C -0.248 175.201 175.510 -0.101 0.000 0.941 1278 N CA 1.647 54.599 53.050 -0.164 0.000 1.131 1278 N CB -1.342 37.083 38.487 -0.103 0.000 0.965 1278 N HN 0.564 nan 8.380 nan 0.000 0.591 1279 I N 2.961 123.481 120.570 -0.082 0.000 2.329 1279 I HA 0.047 4.216 4.170 -0.000 0.000 0.295 1279 I C 1.414 177.546 176.117 0.025 0.000 1.109 1279 I CA 0.422 61.713 61.300 -0.016 0.000 1.297 1279 I CB 0.389 38.393 38.000 0.007 0.000 1.433 1279 I HN 0.094 nan 8.210 nan 0.000 0.509 1280 E N 5.861 126.072 120.200 0.018 0.000 3.388 1280 E HA 0.326 4.676 4.350 -0.000 0.000 0.402 1280 E C 0.254 176.869 176.600 0.025 0.000 0.387 1280 E CA -0.827 55.595 56.400 0.038 0.000 2.276 1280 E CB 0.204 29.915 29.700 0.020 0.000 2.207 1280 E HN 0.441 nan 8.360 nan 0.000 0.469 1281 R N 0.829 121.323 120.500 -0.010 0.000 2.547 1281 R HA 0.022 4.362 4.340 -0.000 0.000 0.269 1281 R C -0.699 175.614 176.300 0.021 0.000 0.968 1281 R CA 0.265 56.343 56.100 -0.037 0.000 1.101 1281 R CB 0.067 30.328 30.300 -0.065 0.000 0.898 1281 R HN 0.101 nan 8.270 nan 0.000 0.416 1282 V N 3.633 123.596 119.914 0.081 0.000 2.612 1282 V HA 0.308 4.427 4.120 -0.000 0.000 0.301 1282 V C -0.435 175.758 176.094 0.165 0.000 1.059 1282 V CA -0.770 61.591 62.300 0.100 0.000 0.886 1282 V CB 2.143 34.020 31.823 0.090 0.000 1.007 1282 V HN 0.466 nan 8.190 nan 0.000 0.426 1283 V N 4.772 124.747 119.914 0.101 0.000 2.864 1283 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 1283 V C 0.005 176.124 176.094 0.042 0.000 1.073 1283 V CA -0.785 61.580 62.300 0.108 0.000 0.956 1283 V CB 2.217 34.103 31.823 0.105 0.000 1.023 1283 V HN 0.830 nan 8.190 nan 0.000 0.435 1284 M N 3.705 123.336 119.600 0.052 0.000 2.291 1284 M HA 0.609 5.089 4.480 -0.000 0.000 0.324 1284 M C -0.656 175.735 176.300 0.151 0.000 1.148 1284 M CA 0.026 55.390 55.300 0.107 0.000 1.104 1284 M CB 1.060 33.716 32.600 0.095 0.000 1.483 1284 M HN 0.376 nan 8.290 nan 0.000 0.467 1285 M N 2.027 121.710 119.600 0.138 0.000 2.294 1285 M HA 0.260 4.740 4.480 -0.000 0.000 0.280 1285 M C -1.292 174.715 176.300 -0.488 0.000 1.085 1285 M CA -0.580 54.592 55.300 -0.213 0.000 0.969 1285 M CB 2.211 34.469 32.600 -0.570 0.000 1.770 1285 M HN 0.573 nan 8.290 nan 0.000 0.485 1286 K N 3.600 123.575 120.400 -0.709 0.000 2.250 1286 K HA 0.428 4.748 4.320 -0.000 0.000 0.280 1286 K C -1.472 174.946 176.600 -0.303 0.000 1.098 1286 K CA 0.028 55.783 56.287 -0.885 0.000 0.916 1286 K CB 0.517 32.309 32.500 -1.179 0.000 1.209 1286 K HN 0.609 nan 8.250 nan 0.000 0.461 1287 Y N 1.516 121.680 120.300 -0.228 0.000 2.453 1287 Y HA 0.172 4.722 4.550 -0.000 0.000 0.326 1287 Y C 0.427 176.289 175.900 -0.064 0.000 1.186 1287 Y CA -1.421 56.624 58.100 -0.093 0.000 1.200 1287 Y CB 1.399 39.856 38.460 -0.005 0.000 1.247 1287 Y HN 0.461 nan 8.280 nan 0.000 0.482 1288 D N 2.383 122.860 120.400 0.128 0.000 2.280 1288 D HA 0.161 4.801 4.640 -0.000 0.000 0.243 1288 D C -0.529 175.818 176.300 0.079 0.000 1.129 1288 D CA -0.149 53.890 54.000 0.065 0.000 0.848 1288 D CB 1.211 42.032 40.800 0.034 0.000 1.107 1288 D HN 0.366 nan 8.370 nan 0.000 0.471 1289 R N 3.344 123.896 120.500 0.086 0.000 2.487 1289 R HA 0.124 4.464 4.340 -0.000 0.000 0.288 1289 R C -0.312 176.036 176.300 0.079 0.000 1.394 1289 R CA -0.647 55.509 56.100 0.093 0.000 1.155 1289 R CB 0.487 30.860 30.300 0.121 0.000 1.156 1289 R HN 0.253 nan 8.270 nan 0.000 0.553 1290 K N 1.824 122.285 120.400 0.102 0.000 2.561 1290 K HA 0.088 4.408 4.320 -0.000 0.000 0.280 1290 K C -0.419 176.239 176.600 0.097 0.000 0.975 1290 K CA 0.410 56.783 56.287 0.143 0.000 1.024 1290 K CB 0.971 33.613 32.500 0.237 0.000 0.883 1290 K HN 0.194 nan 8.250 nan 0.000 0.496 1291 V N 3.398 123.294 119.914 -0.029 0.000 3.236 1291 V HA 0.163 4.283 4.120 -0.000 0.000 0.287 1291 V C -2.604 173.191 176.094 -0.497 0.000 1.491 1291 V CA -1.878 60.256 62.300 -0.277 0.000 1.037 1291 V CB 2.523 34.267 31.823 -0.131 0.000 1.160 1291 V HN 0.588 nan 8.190 nan 0.000 0.453 1292 P HA 0.139 nan 4.420 nan 0.000 0.262 1292 P C -0.802 176.363 177.300 -0.225 0.000 1.199 1292 P CA 0.601 63.405 63.100 -0.493 0.000 0.763 1292 P CB 0.502 31.974 31.700 -0.381 0.000 0.790 1293 S N 5.253 120.866 115.700 -0.144 0.000 2.562 1293 S HA 0.288 4.758 4.470 -0.000 0.000 0.275 1293 S C -1.037 173.533 174.600 -0.051 0.000 1.281 1293 S CA -1.884 56.276 58.200 -0.068 0.000 1.045 1293 S CB 0.155 63.340 63.200 -0.025 0.000 0.962 1293 S HN 0.295 nan 8.310 nan 0.000 0.503 1294 P HA -0.162 nan 4.420 nan 0.000 0.217 1294 P C 1.388 178.681 177.300 -0.012 0.000 1.148 1294 P CA 1.504 64.588 63.100 -0.025 0.000 0.834 1294 P CB -0.326 31.364 31.700 -0.016 0.000 0.783 1295 T N -2.986 111.566 114.554 -0.002 0.000 3.035 1295 T HA 0.157 4.507 4.350 -0.000 0.000 0.268 1295 T C 1.467 176.180 174.700 0.021 0.000 1.109 1295 T CA 1.953 64.061 62.100 0.013 0.000 1.119 1295 T CB -0.574 68.306 68.868 0.020 0.000 0.900 1295 T HN 0.335 nan 8.240 nan 0.000 0.503 1296 G N 0.312 109.117 108.800 0.010 0.000 2.612 1296 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.200 1296 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.200 1296 G C -0.117 174.814 174.900 0.051 0.000 1.053 1296 G CA -0.090 45.024 45.100 0.022 0.000 0.707 1296 G HN 0.610 nan 8.290 nan 0.000 0.497 1297 E N -0.011 120.227 120.200 0.064 0.000 2.425 1297 E HA 0.480 4.830 4.350 -0.000 0.000 0.258 1297 E C -0.668 176.008 176.600 0.127 0.000 1.151 1297 E CA -0.213 56.253 56.400 0.110 0.000 0.958 1297 E CB 0.609 30.359 29.700 0.084 0.000 0.968 1297 E HN 0.321 nan 8.360 nan 0.000 0.451 1298 Y N 0.388 120.696 120.300 0.014 0.000 2.320 1298 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 1298 Y C -0.238 175.674 175.900 0.019 0.000 1.055 1298 Y CA -0.374 57.736 58.100 0.016 0.000 1.143 1298 Y CB 0.939 39.412 38.460 0.022 0.000 1.193 1298 Y HN 0.162 nan 8.280 nan 0.000 0.477 1299 V N 2.469 122.436 119.914 0.087 0.000 3.159 1299 V HA 0.356 4.476 4.120 -0.000 0.000 0.308 1299 V C -0.952 175.175 176.094 0.056 0.000 1.190 1299 V CA -2.004 60.340 62.300 0.073 0.000 1.037 1299 V CB 2.191 34.039 31.823 0.041 0.000 1.060 1299 V HN 0.479 nan 8.190 nan 0.000 0.437 1300 K N 1.930 122.362 120.400 0.053 0.000 2.336 1300 K HA 0.195 4.515 4.320 -0.000 0.000 0.290 1300 K C -0.095 176.523 176.600 0.030 0.000 1.067 1300 K CA 0.295 56.608 56.287 0.044 0.000 0.962 1300 K CB 0.419 32.941 32.500 0.037 0.000 1.008 1300 K HN 0.699 nan 8.250 nan 0.000 0.467 1301 E N 5.495 125.713 120.200 0.030 0.000 2.969 1301 E HA 0.134 4.484 4.350 -0.000 0.000 0.213 1301 E C -2.219 174.401 176.600 0.033 0.000 1.107 1301 E CA -2.201 54.214 56.400 0.025 0.000 1.007 1301 E CB 0.479 30.189 29.700 0.017 0.000 1.326 1301 E HN 0.327 nan 8.360 nan 0.000 0.432 1302 P HA -0.124 nan 4.420 nan 0.000 0.264 1302 P C -0.887 176.408 177.300 -0.009 0.000 1.179 1302 P CA 0.657 63.752 63.100 -0.009 0.000 0.763 1302 P CB 0.517 32.176 31.700 -0.069 0.000 0.806 1303 E N 1.340 121.539 120.200 -0.003 0.000 2.308 1303 E HA 0.392 4.742 4.350 -0.000 0.000 0.275 1303 E C -1.262 175.330 176.600 -0.013 0.000 0.890 1303 E CA -0.991 55.441 56.400 0.054 0.000 0.754 1303 E CB 0.648 30.443 29.700 0.159 0.000 1.207 1303 E HN 0.250 nan 8.360 nan 0.000 0.426 1304 W N 2.056 123.373 121.300 0.027 0.000 2.137 1304 W HA 0.435 5.094 4.660 -0.000 0.000 0.344 1304 W C -0.290 176.178 176.519 -0.084 0.000 1.286 1304 W CA 0.137 57.452 57.345 -0.050 0.000 1.240 1304 W CB 0.968 30.403 29.460 -0.042 0.000 1.141 1304 W HN 0.343 nan 8.180 nan 0.000 0.579 1305 V N 2.736 122.669 119.914 0.032 0.000 3.178 1305 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 1305 V C -0.598 175.407 176.094 -0.149 0.000 1.262 1305 V CA -1.387 60.834 62.300 -0.133 0.000 1.030 1305 V CB 1.760 33.350 31.823 -0.388 0.000 1.074 1305 V HN 0.283 nan 8.190 nan 0.000 0.438 1306 L N 2.034 123.175 121.223 -0.137 0.000 2.309 1306 L HA 0.624 4.964 4.340 -0.000 0.000 0.282 1306 L C -0.120 176.695 176.870 -0.092 0.000 1.036 1306 L CA -0.366 54.424 54.840 -0.085 0.000 0.806 1306 L CB 1.578 43.615 42.059 -0.036 0.000 1.220 1306 L HN 0.675 nan 8.230 nan 0.000 0.429 1307 E N 1.436 121.604 120.200 -0.053 0.000 2.195 1307 E HA 0.425 4.775 4.350 -0.000 0.000 0.271 1307 E C -0.807 175.794 176.600 0.002 0.000 0.923 1307 E CA -0.402 55.985 56.400 -0.021 0.000 0.790 1307 E CB 2.992 32.689 29.700 -0.005 0.000 1.155 1307 E HN 0.465 nan 8.360 nan 0.000 0.402 1308 T N -0.103 114.454 114.554 0.004 0.000 2.768 1308 T HA 0.216 4.566 4.350 -0.000 0.000 0.268 1308 T C -0.481 174.222 174.700 0.004 0.000 0.969 1308 T CA -0.318 61.787 62.100 0.008 0.000 1.008 1308 T CB 0.979 69.850 68.868 0.005 0.000 1.371 1308 T HN 0.417 nan 8.240 nan 0.000 0.587 1309 D N -0.746 119.655 120.400 0.001 0.000 2.615 1309 D HA 0.291 4.931 4.640 -0.000 0.000 0.274 1309 D C 0.005 176.299 176.300 -0.010 0.000 1.512 1309 D CA -0.017 53.981 54.000 -0.004 0.000 0.803 1309 D CB 0.666 41.463 40.800 -0.006 0.000 1.182 1309 D HN 0.665 nan 8.370 nan 0.000 0.473 1310 G N -0.422 108.371 108.800 -0.011 0.000 2.727 1310 G HA2 0.523 4.483 3.960 -0.000 0.000 0.289 1310 G HA3 0.523 4.483 3.960 -0.000 0.000 0.289 1310 G C -1.416 173.472 174.900 -0.019 0.000 1.418 1310 G CA -0.355 44.733 45.100 -0.020 0.000 0.818 1310 G HN -0.081 nan 8.290 nan 0.000 0.486 1311 V N 1.513 121.412 119.914 -0.024 0.000 2.443 1311 V HA 0.401 4.521 4.120 -0.000 0.000 0.272 1311 V C -0.588 175.494 176.094 -0.019 0.000 1.002 1311 V CA -0.875 61.413 62.300 -0.019 0.000 0.840 1311 V CB 1.234 33.046 31.823 -0.019 0.000 1.042 1311 V HN 0.647 nan 8.190 nan 0.000 0.446 1312 N N 3.100 121.792 118.700 -0.013 0.000 2.696 1312 N HA 0.192 4.932 4.740 -0.000 0.000 0.308 1312 N C 0.774 176.286 175.510 0.004 0.000 1.915 1312 N CA -0.369 52.674 53.050 -0.011 0.000 0.906 1312 N CB 1.049 39.524 38.487 -0.020 0.000 1.284 1312 N HN 0.528 nan 8.380 nan 0.000 0.488 1313 L N 1.697 122.927 121.223 0.011 0.000 1.965 1313 L HA -0.281 4.059 4.340 -0.000 0.000 0.226 1313 L C 2.211 179.098 176.870 0.028 0.000 1.083 1313 L CA 2.728 57.584 54.840 0.027 0.000 0.790 1313 L CB -1.357 40.722 42.059 0.034 0.000 0.898 1313 L HN 0.488 nan 8.230 nan 0.000 0.439 1314 S N -1.582 114.131 115.700 0.021 0.000 2.432 1314 S HA -0.346 4.124 4.470 -0.000 0.000 0.243 1314 S C 1.717 176.329 174.600 0.019 0.000 1.069 1314 S CA 2.131 60.342 58.200 0.019 0.000 1.047 1314 S CB -0.808 62.398 63.200 0.011 0.000 0.854 1314 S HN 0.775 nan 8.310 nan 0.000 0.474 1315 E N -0.061 120.149 120.200 0.016 0.000 2.364 1315 E HA 0.190 4.540 4.350 -0.000 0.000 0.203 1315 E C 1.432 178.045 176.600 0.021 0.000 0.888 1315 E CA 0.406 56.815 56.400 0.016 0.000 0.989 1315 E CB 0.297 30.003 29.700 0.009 0.000 0.985 1315 E HN 0.365 nan 8.360 nan 0.000 0.499 1316 V N 1.835 121.762 119.914 0.023 0.000 3.546 1316 V HA -0.112 4.008 4.120 -0.000 0.000 0.272 1316 V C 1.681 177.799 176.094 0.040 0.000 1.228 1316 V CA 1.111 63.428 62.300 0.029 0.000 1.184 1316 V CB -0.510 31.330 31.823 0.029 0.000 0.886 1316 V HN 0.294 nan 8.190 nan 0.000 0.508 1317 M N 0.755 120.379 119.600 0.040 0.000 2.800 1317 M HA -0.032 4.448 4.480 -0.000 0.000 0.257 1317 M C 2.279 178.604 176.300 0.042 0.000 1.309 1317 M CA 1.384 56.713 55.300 0.049 0.000 1.202 1317 M CB 0.259 32.890 32.600 0.051 0.000 1.273 1317 M HN 0.431 nan 8.290 nan 0.000 0.528 1318 T N -0.456 114.117 114.554 0.032 0.000 3.139 1318 T HA 0.056 4.406 4.350 -0.000 0.000 0.267 1318 T C 0.482 175.198 174.700 0.026 0.000 1.164 1318 T CA 0.062 62.179 62.100 0.027 0.000 1.075 1318 T CB -1.234 67.647 68.868 0.021 0.000 0.904 1318 T HN 0.158 nan 8.240 nan 0.000 0.540 1319 V N 4.211 124.141 119.914 0.028 0.000 2.843 1319 V HA 0.252 4.372 4.120 -0.000 0.000 0.305 1319 V C -1.570 174.539 176.094 0.026 0.000 1.065 1319 V CA -1.618 60.696 62.300 0.023 0.000 1.116 1319 V CB 0.452 32.289 31.823 0.024 0.000 0.968 1319 V HN 0.435 nan 8.190 nan 0.000 0.487 1320 P HA 0.398 nan 4.420 nan 0.000 0.282 1320 P C 0.584 177.891 177.300 0.012 0.000 1.249 1320 P CA 0.526 63.637 63.100 0.018 0.000 0.806 1320 P CB 1.636 33.341 31.700 0.009 0.000 0.984 1321 G N 2.041 110.856 108.800 0.025 0.000 2.234 1321 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 1321 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 1321 G C 0.227 175.162 174.900 0.058 0.000 0.997 1321 G CA 0.259 45.367 45.100 0.014 0.000 0.623 1321 G HN 0.715 nan 8.290 nan 0.000 0.514 1322 I N -2.159 118.453 120.570 0.069 0.000 3.062 1322 I HA 0.761 4.931 4.170 -0.000 0.000 0.316 1322 I C -0.555 175.629 176.117 0.112 0.000 1.041 1322 I CA -1.072 60.288 61.300 0.099 0.000 1.069 1322 I CB 1.575 39.631 38.000 0.092 0.000 1.300 1322 I HN -0.071 nan 8.210 nan 0.000 0.518 1323 D N 3.566 124.049 120.400 0.139 0.000 2.479 1323 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 1323 D C -1.991 174.373 176.300 0.108 0.000 1.119 1323 D CA -1.983 52.087 54.000 0.115 0.000 0.922 1323 D CB 0.985 41.857 40.800 0.120 0.000 1.014 1323 D HN 0.354 nan 8.370 nan 0.000 0.510 1324 P HA -0.004 nan 4.420 nan 0.000 0.310 1324 P C 0.024 177.365 177.300 0.068 0.000 1.512 1324 P CA 0.301 63.449 63.100 0.079 0.000 0.753 1324 P CB -0.119 31.619 31.700 0.062 0.000 1.608 1325 T N -0.808 113.784 114.554 0.063 0.000 3.714 1325 T HA 0.268 4.618 4.350 -0.000 0.000 0.309 1325 T C 0.843 175.551 174.700 0.014 0.000 0.958 1325 T CA -0.283 61.839 62.100 0.036 0.000 1.010 1325 T CB 0.317 69.195 68.868 0.016 0.000 1.202 1325 T HN 0.159 nan 8.240 nan 0.000 0.476 1326 R N -0.059 120.473 120.500 0.052 0.000 2.435 1326 R HA 0.299 4.638 4.340 -0.000 0.000 0.276 1326 R C 0.152 176.590 176.300 0.230 0.000 0.866 1326 R CA -0.280 55.816 56.100 -0.007 0.000 1.085 1326 R CB 0.721 30.907 30.300 -0.189 0.000 1.751 1326 R HN 0.322 nan 8.270 nan 0.000 0.463 1327 I N 1.643 122.373 120.570 0.267 0.000 2.648 1327 I HA 0.065 4.235 4.170 -0.000 0.000 0.284 1327 I C -1.123 175.210 176.117 0.360 0.000 1.153 1327 I CA 0.138 61.632 61.300 0.322 0.000 1.426 1327 I CB 0.391 38.514 38.000 0.205 0.000 1.381 1327 I HN 0.001 nan 8.210 nan 0.000 0.571 1328 Y N 5.968 126.396 120.300 0.213 0.000 2.396 1328 Y HA 0.410 4.960 4.550 -0.000 0.000 0.332 1328 Y C -1.162 174.825 175.900 0.145 0.000 1.034 1328 Y CA -0.929 57.276 58.100 0.175 0.000 1.057 1328 Y CB 1.758 40.340 38.460 0.203 0.000 1.220 1328 Y HN 0.496 nan 8.280 nan 0.000 0.440 1329 T N 6.763 121.126 114.554 -0.318 0.000 2.842 1329 T HA 0.132 4.482 4.350 -0.000 0.000 0.308 1329 T C 0.856 175.232 174.700 -0.541 0.000 1.041 1329 T CA -0.576 61.303 62.100 -0.368 0.000 0.964 1329 T CB 0.251 69.061 68.868 -0.096 0.000 0.972 1329 T HN 0.751 nan 8.240 nan 0.000 0.460 1330 N N 1.819 120.135 118.700 -0.638 0.000 2.314 1330 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 1330 N C 1.074 176.610 175.510 0.043 0.000 1.007 1330 N CA 0.724 53.580 53.050 -0.324 0.000 0.883 1330 N CB -0.217 38.179 38.487 -0.151 0.000 0.969 1330 N HN 0.409 nan 8.380 nan 0.000 0.441 1331 S N 0.225 115.949 115.700 0.039 0.000 4.051 1331 S HA 0.075 4.545 4.470 -0.000 0.000 0.215 1331 S C 0.902 175.625 174.600 0.204 0.000 1.289 1331 S CA -0.803 57.490 58.200 0.155 0.000 0.907 1331 S CB -1.574 61.648 63.200 0.036 0.000 1.603 1331 S HN 0.395 nan 8.310 nan 0.000 0.453 1332 F N 2.470 122.446 119.950 0.043 0.000 2.115 1332 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 1332 F C 1.904 177.749 175.800 0.075 0.000 1.092 1332 F CA 0.734 58.793 58.000 0.099 0.000 1.245 1332 F CB -0.591 38.485 39.000 0.127 0.000 0.995 1332 F HN 0.445 nan 8.300 nan 0.000 0.481 1333 I N 1.870 121.931 120.570 -0.848 0.000 2.181 1333 I HA -0.330 3.840 4.170 -0.000 0.000 0.247 1333 I C 1.981 177.964 176.117 -0.224 0.000 1.081 1333 I CA 1.952 62.871 61.300 -0.636 0.000 1.340 1333 I CB -0.984 36.661 38.000 -0.590 0.000 1.036 1333 I HN 0.355 nan 8.210 nan 0.000 0.417 1334 D N 0.385 120.713 120.400 -0.120 0.000 2.085 1334 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 1334 D C 2.114 178.421 176.300 0.011 0.000 0.981 1334 D CA 1.119 55.096 54.000 -0.039 0.000 0.834 1334 D CB -0.162 40.629 40.800 -0.016 0.000 0.992 1334 D HN 0.361 nan 8.370 nan 0.000 0.457 1335 I N 1.321 121.929 120.570 0.064 0.000 3.055 1335 I HA -0.218 3.952 4.170 -0.000 0.000 0.277 1335 I C 2.160 178.339 176.117 0.103 0.000 1.306 1335 I CA 0.314 61.686 61.300 0.119 0.000 1.426 1335 I CB -0.068 38.064 38.000 0.220 0.000 1.081 1335 I HN 0.102 nan 8.210 nan 0.000 0.502 1336 M N 0.432 120.065 119.600 0.055 0.000 2.412 1336 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 1336 M C 1.770 178.087 176.300 0.029 0.000 1.122 1336 M CA 1.601 56.928 55.300 0.045 0.000 1.179 1336 M CB -0.006 32.596 32.600 0.003 0.000 1.335 1336 M HN 0.169 nan 8.290 nan 0.000 0.465 1337 E N -0.412 119.793 120.200 0.008 0.000 2.427 1337 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 1337 E C 1.779 178.389 176.600 0.018 0.000 1.028 1337 E CA 0.554 56.958 56.400 0.007 0.000 0.864 1337 E CB 0.210 29.905 29.700 -0.009 0.000 0.813 1337 E HN 0.326 nan 8.360 nan 0.000 0.514 1338 V N 0.622 120.554 119.914 0.029 0.000 2.599 1338 V HA -0.052 4.068 4.120 -0.000 0.000 0.237 1338 V C 1.994 178.114 176.094 0.042 0.000 1.081 1338 V CA 0.602 62.922 62.300 0.034 0.000 1.107 1338 V CB -0.180 31.667 31.823 0.041 0.000 0.808 1338 V HN 0.194 nan 8.190 nan 0.000 0.486 1339 L N 0.477 121.734 121.223 0.057 0.000 2.270 1339 L HA 0.385 4.725 4.340 -0.000 0.000 0.210 1339 L C 1.024 177.925 176.870 0.053 0.000 1.104 1339 L CA 1.043 55.919 54.840 0.059 0.000 0.804 1339 L CB -0.381 41.726 42.059 0.079 0.000 0.937 1339 L HN 0.605 nan 8.230 nan 0.000 0.450 1340 G N 0.089 108.920 108.800 0.053 0.000 3.444 1340 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.685 1340 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.685 1340 G C 0.347 175.282 174.900 0.059 0.000 1.145 1340 G CA -0.174 44.955 45.100 0.049 0.000 0.973 1340 G HN 0.121 nan 8.290 nan 0.000 0.525 1341 I N 0.444 121.049 120.570 0.058 0.000 3.642 1341 I HA -0.425 3.745 4.170 -0.000 0.000 0.171 1341 I C 2.506 178.672 176.117 0.082 0.000 0.746 1341 I CA 2.899 64.240 61.300 0.068 0.000 1.031 1341 I CB 0.005 38.041 38.000 0.060 0.000 0.825 1341 I HN 0.815 nan 8.210 nan 0.000 0.296 1342 E N 0.645 120.886 120.200 0.070 0.000 2.045 1342 E HA -0.334 4.016 4.350 -0.000 0.000 0.212 1342 E C 2.096 178.743 176.600 0.079 0.000 1.039 1342 E CA 2.001 58.442 56.400 0.069 0.000 0.860 1342 E CB -0.741 28.991 29.700 0.053 0.000 0.776 1342 E HN 0.773 nan 8.360 nan 0.000 0.467 1343 A N 0.929 123.793 122.820 0.074 0.000 2.032 1343 A HA -0.141 4.179 4.320 -0.000 0.000 0.221 1343 A C 2.413 180.073 177.584 0.127 0.000 1.165 1343 A CA 2.159 54.246 52.037 0.083 0.000 0.645 1343 A CB -1.059 17.988 19.000 0.078 0.000 0.807 1343 A HN 0.365 nan 8.150 nan 0.000 0.453 1344 G N -0.642 108.239 108.800 0.135 0.000 2.480 1344 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.216 1344 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.216 1344 G C 1.685 176.718 174.900 0.222 0.000 1.200 1344 G CA 0.991 46.203 45.100 0.185 0.000 0.782 1344 G HN 0.537 nan 8.290 nan 0.000 0.554 1345 R N 0.452 121.058 120.500 0.176 0.000 2.168 1345 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 1345 R C 2.957 179.378 176.300 0.201 0.000 1.123 1345 R CA 2.039 58.245 56.100 0.178 0.000 0.928 1345 R CB -0.731 29.643 30.300 0.123 0.000 0.873 1345 R HN 0.309 nan 8.270 nan 0.000 0.434 1346 A N 0.349 123.263 122.820 0.158 0.000 1.906 1346 A HA -0.339 3.981 4.320 -0.000 0.000 0.222 1346 A C 2.364 180.064 177.584 0.193 0.000 1.282 1346 A CA 2.865 54.992 52.037 0.151 0.000 0.675 1346 A CB -1.236 17.807 19.000 0.072 0.000 0.838 1346 A HN 0.658 nan 8.150 nan 0.000 0.469 1347 A N -1.004 121.945 122.820 0.214 0.000 1.858 1347 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 1347 A C 2.178 179.883 177.584 0.201 0.000 1.190 1347 A CA 1.904 54.123 52.037 0.303 0.000 0.617 1347 A CB -0.770 18.542 19.000 0.520 0.000 0.827 1347 A HN 1.071 nan 8.150 nan 0.000 0.443 1348 L N -1.312 120.022 121.223 0.186 0.000 2.013 1348 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 1348 L C 2.321 179.172 176.870 -0.032 0.000 1.073 1348 L CA 2.821 57.624 54.840 -0.061 0.000 0.753 1348 L CB -0.988 41.176 42.059 0.175 0.000 0.890 1348 L HN 0.550 nan 8.230 nan 0.000 0.432 1349 Y N 0.278 120.596 120.300 0.029 0.000 2.133 1349 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 1349 Y C 2.725 178.678 175.900 0.088 0.000 1.134 1349 Y CA 2.288 60.419 58.100 0.052 0.000 1.133 1349 Y CB -0.423 38.082 38.460 0.075 0.000 0.987 1349 Y HN 0.233 nan 8.280 nan 0.000 0.502 1350 K N 0.030 120.476 120.400 0.076 0.000 2.077 1350 K HA -0.333 3.987 4.320 -0.000 0.000 0.213 1350 K C 2.039 178.634 176.600 -0.009 0.000 1.051 1350 K CA 2.282 58.590 56.287 0.035 0.000 0.929 1350 K CB -0.242 32.303 32.500 0.075 0.000 0.715 1350 K HN 0.330 nan 8.250 nan 0.000 0.451 1351 E N -0.066 120.124 120.200 -0.018 0.000 2.007 1351 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 1351 E C 1.869 178.387 176.600 -0.137 0.000 0.999 1351 E CA 1.560 57.920 56.400 -0.067 0.000 0.811 1351 E CB -0.307 29.290 29.700 -0.171 0.000 0.762 1351 E HN 0.120 nan 8.360 nan 0.000 0.450 1352 V N 0.802 120.598 119.914 -0.196 0.000 2.363 1352 V HA -0.323 3.797 4.120 -0.000 0.000 0.254 1352 V C 2.112 178.108 176.094 -0.164 0.000 1.074 1352 V CA 2.286 64.481 62.300 -0.175 0.000 1.069 1352 V CB -0.749 30.977 31.823 -0.161 0.000 0.659 1352 V HN 0.376 nan 8.190 nan 0.000 0.455 1353 Y N 1.871 121.927 120.300 -0.406 0.000 2.109 1353 Y HA -0.166 4.383 4.550 -0.000 0.000 0.285 1353 Y C 2.496 178.307 175.900 -0.148 0.000 1.131 1353 Y CA 1.879 59.777 58.100 -0.336 0.000 1.121 1353 Y CB -0.715 37.440 38.460 -0.507 0.000 0.987 1353 Y HN 0.260 nan 8.280 nan 0.000 0.495 1354 N N 0.198 118.711 118.700 -0.312 0.000 2.417 1354 N HA -0.159 4.581 4.740 -0.000 0.000 0.187 1354 N C 1.817 177.175 175.510 -0.253 0.000 1.027 1354 N CA 1.471 54.322 53.050 -0.333 0.000 0.891 1354 N CB -0.106 38.327 38.487 -0.089 0.000 0.956 1354 N HN 0.337 nan 8.380 nan 0.000 0.442 1355 V N 1.456 121.250 119.914 -0.201 0.000 2.302 1355 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 1355 V C 2.149 178.154 176.094 -0.148 0.000 1.036 1355 V CA 1.000 63.215 62.300 -0.140 0.000 1.020 1355 V CB -0.236 31.522 31.823 -0.107 0.000 0.657 1355 V HN 0.180 nan 8.190 nan 0.000 0.453 1356 I N 0.670 121.143 120.570 -0.161 0.000 3.001 1356 I HA -0.067 4.103 4.170 -0.000 0.000 0.268 1356 I C 2.311 178.337 176.117 -0.152 0.000 1.267 1356 I CA 1.043 62.270 61.300 -0.121 0.000 1.472 1356 I CB -0.488 37.471 38.000 -0.069 0.000 1.089 1356 I HN 0.270 nan 8.210 nan 0.000 0.468 1357 A N 0.854 123.500 122.820 -0.291 0.000 1.997 1357 A HA -0.061 4.259 4.320 -0.000 0.000 0.212 1357 A C 2.429 179.900 177.584 -0.188 0.000 1.178 1357 A CA 0.962 52.811 52.037 -0.315 0.000 0.698 1357 A CB -0.408 18.165 19.000 -0.712 0.000 0.842 1357 A HN 0.438 nan 8.150 nan 0.000 0.458 1358 S N -0.170 115.430 115.700 -0.167 0.000 2.447 1358 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 1358 S C 1.229 175.786 174.600 -0.072 0.000 1.006 1358 S CA 1.303 59.441 58.200 -0.104 0.000 0.957 1358 S CB -0.323 62.825 63.200 -0.086 0.000 0.773 1358 S HN 0.507 nan 8.310 nan 0.000 0.507 1359 D N 0.884 121.241 120.400 -0.071 0.000 2.347 1359 D HA 0.186 4.826 4.640 -0.000 0.000 0.213 1359 D C 1.624 177.906 176.300 -0.030 0.000 0.985 1359 D CA 0.964 54.937 54.000 -0.045 0.000 0.879 1359 D CB 0.356 41.130 40.800 -0.044 0.000 0.919 1359 D HN 0.608 nan 8.370 nan 0.000 0.526 1360 G N 0.544 109.324 108.800 -0.034 0.000 2.527 1360 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 1360 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 1360 G C 0.589 175.503 174.900 0.024 0.000 1.177 1360 G CA 0.237 45.331 45.100 -0.010 0.000 0.695 1360 G HN 0.325 nan 8.290 nan 0.000 0.517 1361 S N 0.648 116.363 115.700 0.026 0.000 2.558 1361 S HA 0.304 4.774 4.470 -0.000 0.000 0.297 1361 S C -0.284 174.400 174.600 0.139 0.000 1.283 1361 S CA 0.741 58.978 58.200 0.061 0.000 1.044 1361 S CB 0.467 63.678 63.200 0.018 0.000 0.789 1361 S HN 1.048 nan 8.310 nan 0.000 0.500 1362 Y N 3.028 123.346 120.300 0.031 0.000 2.341 1362 Y HA 0.621 5.171 4.550 -0.000 0.000 0.338 1362 Y C -0.772 175.192 175.900 0.107 0.000 0.965 1362 Y CA -1.049 57.094 58.100 0.072 0.000 1.108 1362 Y CB 0.845 39.340 38.460 0.059 0.000 1.180 1362 Y HN 0.362 nan 8.280 nan 0.000 0.458 1363 V N 6.729 126.457 119.914 -0.309 0.000 2.680 1363 V HA 0.315 4.435 4.120 -0.000 0.000 0.309 1363 V C -0.633 175.250 176.094 -0.352 0.000 1.052 1363 V CA -1.201 60.935 62.300 -0.273 0.000 0.908 1363 V CB 2.012 33.845 31.823 0.016 0.000 1.001 1363 V HN 0.862 nan 8.190 nan 0.000 0.431 1364 N N 3.032 121.614 118.700 -0.198 0.000 2.406 1364 N HA 0.110 4.850 4.740 -0.000 0.000 0.251 1364 N C 0.856 176.395 175.510 0.049 0.000 1.069 1364 N CA -0.286 52.717 53.050 -0.078 0.000 0.947 1364 N CB 0.427 38.862 38.487 -0.087 0.000 1.111 1364 N HN 0.744 nan 8.380 nan 0.000 0.497 1365 Y N 5.797 126.127 120.300 0.050 0.000 2.031 1365 Y HA -0.522 4.028 4.550 -0.000 0.000 0.169 1365 Y C 2.087 177.973 175.900 -0.023 0.000 1.168 1365 Y CA 3.129 61.260 58.100 0.052 0.000 0.813 1365 Y CB -0.674 37.764 38.460 -0.037 0.000 0.648 1365 Y HN 0.714 nan 8.280 nan 0.000 0.607 1366 R N -1.523 118.827 120.500 -0.251 0.000 2.323 1366 R HA -0.343 3.997 4.340 -0.000 0.000 0.259 1366 R C 1.833 177.979 176.300 -0.257 0.000 1.104 1366 R CA 2.237 58.106 56.100 -0.385 0.000 0.961 1366 R CB -1.596 28.467 30.300 -0.395 0.000 0.929 1366 R HN 0.624 nan 8.270 nan 0.000 0.457 1367 H N 0.741 119.814 119.070 0.004 0.000 2.256 1367 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 1367 H C 2.431 177.751 175.328 -0.013 0.000 1.062 1367 H CA 1.897 57.946 56.048 0.002 0.000 1.283 1367 H CB -0.564 29.201 29.762 0.004 0.000 1.379 1367 H HN 0.238 nan 8.280 nan 0.000 0.493 1368 M N 0.604 120.318 119.600 0.190 0.000 2.106 1368 M HA -0.168 4.312 4.480 -0.000 0.000 0.259 1368 M C 2.765 179.155 176.300 0.150 0.000 1.068 1368 M CA 1.625 57.035 55.300 0.183 0.000 1.100 1368 M CB -0.405 32.365 32.600 0.283 0.000 1.351 1368 M HN 0.272 nan 8.290 nan 0.000 0.404 1369 A N 0.788 123.590 122.820 -0.030 0.000 1.859 1369 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 1369 A C 2.131 179.620 177.584 -0.157 0.000 1.198 1369 A CA 1.999 53.843 52.037 -0.322 0.000 0.629 1369 A CB -1.129 17.221 19.000 -1.085 0.000 0.830 1369 A HN 0.447 nan 8.150 nan 0.000 0.446 1370 L N -0.368 120.777 121.223 -0.131 0.000 1.963 1370 L HA -0.232 4.108 4.340 -0.000 0.000 0.220 1370 L C 2.406 179.243 176.870 -0.055 0.000 1.076 1370 L CA 2.716 57.510 54.840 -0.076 0.000 0.772 1370 L CB -0.879 41.151 42.059 -0.048 0.000 0.892 1370 L HN 0.506 nan 8.230 nan 0.000 0.435 1371 L N -1.084 120.120 121.223 -0.031 0.000 1.971 1371 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 1371 L C 2.447 179.316 176.870 -0.001 0.000 1.072 1371 L CA 2.263 57.083 54.840 -0.032 0.000 0.758 1371 L CB -1.163 40.882 42.059 -0.022 0.000 0.889 1371 L HN 0.145 nan 8.230 nan 0.000 0.433 1372 V N 0.221 120.159 119.914 0.039 0.000 2.546 1372 V HA -0.328 3.792 4.120 -0.000 0.000 0.254 1372 V C 2.188 178.317 176.094 0.059 0.000 1.076 1372 V CA 2.315 64.664 62.300 0.081 0.000 1.087 1372 V CB -0.696 31.231 31.823 0.173 0.000 0.674 1372 V HN 0.648 nan 8.190 nan 0.000 0.470 1373 D N -0.595 119.812 120.400 0.013 0.000 2.106 1373 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 1373 D C 2.182 178.482 176.300 -0.001 0.000 0.977 1373 D CA 1.576 55.576 54.000 -0.000 0.000 0.844 1373 D CB -0.450 40.326 40.800 -0.040 0.000 1.002 1373 D HN 0.355 nan 8.370 nan 0.000 0.461 1374 V N 1.809 121.706 119.914 -0.028 0.000 2.357 1374 V HA -0.324 3.796 4.120 -0.000 0.000 0.257 1374 V C 2.497 178.595 176.094 0.007 0.000 1.082 1374 V CA 1.739 64.018 62.300 -0.036 0.000 1.078 1374 V CB -0.612 31.162 31.823 -0.081 0.000 0.663 1374 V HN 0.246 nan 8.190 nan 0.000 0.455 1375 M N -1.214 118.405 119.600 0.032 0.000 2.236 1375 M HA -0.104 4.376 4.480 -0.000 0.000 0.266 1375 M C 2.368 178.720 176.300 0.087 0.000 1.070 1375 M CA 2.031 57.378 55.300 0.077 0.000 1.137 1375 M CB -0.662 32.001 32.600 0.105 0.000 1.378 1375 M HN 0.353 nan 8.290 nan 0.000 0.426 1376 T N 0.664 115.265 114.554 0.078 0.000 2.732 1376 T HA -0.114 4.236 4.350 -0.000 0.000 0.261 1376 T C 1.823 176.560 174.700 0.063 0.000 1.040 1376 T CA 2.179 64.328 62.100 0.082 0.000 1.145 1376 T CB -0.386 68.534 68.868 0.086 0.000 0.866 1376 T HN 0.622 nan 8.240 nan 0.000 0.427 1377 T N 1.196 115.775 114.554 0.043 0.000 2.341 1377 T HA -0.330 4.019 4.350 -0.000 0.000 0.231 1377 T C 1.788 176.515 174.700 0.045 0.000 1.443 1377 T CA 1.906 64.027 62.100 0.035 0.000 1.212 1377 T CB -1.224 67.649 68.868 0.008 0.000 0.862 1377 T HN 0.447 nan 8.240 nan 0.000 0.398 1378 Q N 1.235 121.061 119.800 0.043 0.000 2.377 1378 Q HA -0.326 4.014 4.340 -0.000 0.000 0.225 1378 Q C 2.033 178.064 176.000 0.050 0.000 1.097 1378 Q CA 2.791 58.624 55.803 0.049 0.000 0.985 1378 Q CB -1.167 27.607 28.738 0.061 0.000 1.071 1378 Q HN 0.936 nan 8.270 nan 0.000 0.505 1379 G N -2.983 105.849 108.800 0.053 0.000 4.314 1379 G HA2 0.247 4.207 3.960 -0.000 0.000 0.166 1379 G HA3 0.247 4.207 3.960 -0.000 0.000 0.166 1379 G C 0.361 175.291 174.900 0.050 0.000 1.213 1379 G CA 0.514 45.643 45.100 0.049 0.000 1.027 1379 G HN 0.630 nan 8.290 nan 0.000 0.352 1380 G N -0.122 108.708 108.800 0.050 0.000 3.244 1380 G HA2 0.548 4.508 3.960 -0.000 0.000 0.197 1380 G HA3 0.548 4.508 3.960 -0.000 0.000 0.197 1380 G C -0.693 174.243 174.900 0.061 0.000 1.531 1380 G CA -0.439 44.689 45.100 0.046 0.000 0.747 1380 G HN 0.395 nan 8.290 nan 0.000 0.763 1381 L N 1.627 122.880 121.223 0.050 0.000 2.282 1381 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 1381 L C -0.655 176.268 176.870 0.089 0.000 1.033 1381 L CA -0.299 54.588 54.840 0.078 0.000 0.807 1381 L CB 1.784 43.866 42.059 0.038 0.000 1.209 1381 L HN 0.200 nan 8.230 nan 0.000 0.423 1382 T N 1.306 115.931 114.554 0.118 0.000 2.874 1382 T HA 0.193 4.543 4.350 -0.000 0.000 0.321 1382 T C 0.321 175.125 174.700 0.173 0.000 1.075 1382 T CA -0.492 61.690 62.100 0.135 0.000 0.966 1382 T CB 0.914 69.865 68.868 0.139 0.000 1.001 1382 T HN 0.722 nan 8.240 nan 0.000 0.476 1383 S N 2.306 118.111 115.700 0.174 0.000 2.558 1383 S HA 0.083 4.553 4.470 -0.000 0.000 0.288 1383 S C 0.760 175.527 174.600 0.280 0.000 1.318 1383 S CA -0.770 57.551 58.200 0.202 0.000 1.056 1383 S CB 0.336 63.647 63.200 0.185 0.000 0.853 1383 S HN 0.426 nan 8.310 nan 0.000 0.505 1384 V N 4.154 124.226 119.914 0.264 0.000 1.935 1384 V HA 0.223 4.343 4.120 -0.000 0.000 0.262 1384 V C 0.354 176.701 176.094 0.421 0.000 1.726 1384 V CA 0.068 62.583 62.300 0.358 0.000 1.656 1384 V CB -1.901 29.999 31.823 0.129 0.000 1.532 1384 V HN 1.033 nan 8.190 nan 0.000 0.509 1385 T N 0.048 114.821 114.554 0.365 0.000 2.843 1385 T HA 0.291 4.641 4.350 -0.000 0.000 0.302 1385 T C 1.029 175.638 174.700 -0.152 0.000 1.232 1385 T CA -0.818 61.381 62.100 0.164 0.000 1.009 1385 T CB 2.030 70.985 68.868 0.144 0.000 1.254 1385 T HN 0.383 nan 8.240 nan 0.000 0.504 1386 R N 0.448 120.754 120.500 -0.322 0.000 2.226 1386 R HA -0.207 4.133 4.340 -0.000 0.000 0.246 1386 R C 1.021 177.074 176.300 -0.412 0.000 1.161 1386 R CA 1.803 57.569 56.100 -0.557 0.000 0.997 1386 R CB -0.414 29.493 30.300 -0.655 0.000 0.870 1386 R HN 0.643 nan 8.270 nan 0.000 0.465 1387 H N -0.615 118.379 119.070 -0.127 0.000 2.436 1387 H HA 0.129 4.685 4.556 -0.000 0.000 0.294 1387 H C 1.576 176.869 175.328 -0.060 0.000 1.048 1387 H CA 1.227 57.231 56.048 -0.074 0.000 1.353 1387 H CB -0.025 29.723 29.762 -0.023 0.000 1.414 1387 H HN 0.437 nan 8.280 nan 0.000 0.536 1388 G N 0.444 109.278 108.800 0.057 0.000 3.380 1388 G HA2 0.055 4.015 3.960 -0.000 0.000 0.188 1388 G HA3 0.055 4.015 3.960 -0.000 0.000 0.188 1388 G C 1.237 176.144 174.900 0.012 0.000 1.892 1388 G CA 0.268 45.413 45.100 0.075 0.000 0.912 1388 G HN 0.281 nan 8.290 nan 0.000 0.609 1389 F N 1.897 121.891 119.950 0.074 0.000 2.063 1389 F HA -0.282 4.245 4.527 -0.000 0.000 0.296 1389 F C 1.512 177.353 175.800 0.068 0.000 1.093 1389 F CA 1.991 60.030 58.000 0.064 0.000 1.229 1389 F CB -1.013 38.022 39.000 0.059 0.000 0.971 1389 F HN 0.253 nan 8.300 nan 0.000 0.491 1390 N N 0.495 118.512 118.700 -1.139 0.000 2.586 1390 N HA -0.045 4.695 4.740 -0.000 0.000 0.206 1390 N C 0.924 176.264 175.510 -0.284 0.000 1.377 1390 N CA 0.535 53.166 53.050 -0.699 0.000 0.871 1390 N CB -0.324 37.620 38.487 -0.906 0.000 1.107 1390 N HN 0.713 nan 8.380 nan 0.000 0.462 1391 R N -2.485 117.927 120.500 -0.147 0.000 2.555 1391 R HA 0.240 4.580 4.340 -0.000 0.000 0.312 1391 R C 0.026 176.321 176.300 -0.008 0.000 0.938 1391 R CA -0.249 55.806 56.100 -0.074 0.000 1.112 1391 R CB -0.483 29.776 30.300 -0.067 0.000 1.535 1391 R HN 0.103 nan 8.270 nan 0.000 0.525 1392 S N 1.059 116.776 115.700 0.028 0.000 2.624 1392 S HA 0.066 4.536 4.470 -0.000 0.000 0.263 1392 S C 0.693 175.324 174.600 0.052 0.000 1.287 1392 S CA -0.333 57.900 58.200 0.054 0.000 0.990 1392 S CB 0.460 63.712 63.200 0.087 0.000 0.950 1392 S HN 0.415 nan 8.310 nan 0.000 0.561 1393 N N 0.390 119.119 118.700 0.049 0.000 2.731 1393 N HA -0.103 4.636 4.740 -0.000 0.000 0.199 1393 N C 0.180 175.718 175.510 0.047 0.000 1.206 1393 N CA 0.670 53.746 53.050 0.043 0.000 0.955 1393 N CB -1.264 37.246 38.487 0.040 0.000 0.997 1393 N HN 0.568 nan 8.380 nan 0.000 0.449 1394 T N 0.270 114.860 114.554 0.059 0.000 2.589 1394 T HA 0.253 4.603 4.350 -0.000 0.000 0.342 1394 T C 1.389 176.122 174.700 0.054 0.000 1.044 1394 T CA 0.206 62.343 62.100 0.062 0.000 1.020 1394 T CB 0.171 69.093 68.868 0.089 0.000 1.070 1394 T HN 0.331 nan 8.240 nan 0.000 0.524 1395 G N -0.998 107.834 108.800 0.053 0.000 2.631 1395 G HA2 0.417 4.377 3.960 -0.000 0.000 0.271 1395 G HA3 0.417 4.377 3.960 -0.000 0.000 0.271 1395 G C 0.975 175.924 174.900 0.081 0.000 1.302 1395 G CA -0.121 45.013 45.100 0.056 0.000 1.002 1395 G HN 0.802 nan 8.290 nan 0.000 0.519 1396 A N -1.006 121.891 122.820 0.128 0.000 1.896 1396 A HA 0.235 4.555 4.320 -0.000 0.000 0.213 1396 A C 2.410 180.072 177.584 0.130 0.000 1.306 1396 A CA 0.702 52.829 52.037 0.150 0.000 0.626 1396 A CB -0.742 18.441 19.000 0.305 0.000 0.994 1396 A HN 0.512 nan 8.150 nan 0.000 0.475 1397 L N -0.389 120.959 121.223 0.207 0.000 2.123 1397 L HA -0.324 4.016 4.340 -0.000 0.000 0.217 1397 L C 2.800 179.716 176.870 0.077 0.000 1.081 1397 L CA 2.237 57.162 54.840 0.142 0.000 0.772 1397 L CB -0.331 41.811 42.059 0.138 0.000 0.890 1397 L HN 0.698 nan 8.230 nan 0.000 0.437 1398 M N -0.313 119.331 119.600 0.074 0.000 2.074 1398 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 1398 M C 2.392 178.749 176.300 0.095 0.000 1.079 1398 M CA 1.778 57.121 55.300 0.072 0.000 1.119 1398 M CB -0.235 32.407 32.600 0.070 0.000 1.297 1398 M HN 0.005 nan 8.290 nan 0.000 0.416 1399 R N -0.039 120.518 120.500 0.095 0.000 2.185 1399 R HA -0.221 4.119 4.340 -0.000 0.000 0.247 1399 R C 2.534 178.862 176.300 0.047 0.000 1.159 1399 R CA 1.504 57.658 56.100 0.090 0.000 0.988 1399 R CB -1.456 28.863 30.300 0.033 0.000 0.871 1399 R HN 0.687 nan 8.270 nan 0.000 0.458 1400 C N 1.290 120.605 119.300 0.025 0.000 2.425 1400 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 1400 C C 2.081 177.077 174.990 0.010 0.000 1.280 1400 C CA 1.013 60.020 59.018 -0.018 0.000 1.744 1400 C CB -0.832 26.892 27.740 -0.028 0.000 1.989 1400 C HN 0.496 nan 8.230 nan 0.000 0.491 1401 S N -0.599 115.139 115.700 0.064 0.000 3.324 1401 S HA 0.397 4.867 4.470 -0.000 0.000 0.229 1401 S C -0.454 174.272 174.600 0.209 0.000 1.417 1401 S CA -0.333 57.919 58.200 0.086 0.000 1.211 1401 S CB -0.904 62.332 63.200 0.060 0.000 1.157 1401 S HN 0.783 nan 8.310 nan 0.000 0.491 1402 F N 0.497 120.431 119.950 -0.027 0.000 3.539 1402 F HA 0.257 4.784 4.527 -0.000 0.000 0.349 1402 F C 0.068 175.838 175.800 -0.051 0.000 1.030 1402 F CA -1.002 56.987 58.000 -0.019 0.000 1.498 1402 F CB -0.595 38.415 39.000 0.017 0.000 1.862 1402 F HN 0.431 nan 8.300 nan 0.000 0.837 1403 E N 1.926 121.984 120.200 -0.237 0.000 4.079 1403 E HA -0.297 4.053 4.350 -0.000 0.000 0.188 1403 E C 0.787 177.218 176.600 -0.280 0.000 1.200 1403 E CA 1.882 58.050 56.400 -0.387 0.000 2.371 1403 E CB -0.839 28.360 29.700 -0.836 0.000 1.792 1403 E HN 0.765 nan 8.360 nan 0.000 0.412 1404 E N 1.265 121.277 120.200 -0.313 0.000 2.435 1404 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 1404 E C 1.119 177.608 176.600 -0.185 0.000 1.029 1404 E CA 1.022 57.289 56.400 -0.221 0.000 0.865 1404 E CB 0.007 29.577 29.700 -0.217 0.000 0.833 1404 E HN 0.399 nan 8.360 nan 0.000 0.510 1405 T N 1.163 115.614 114.554 -0.171 0.000 2.480 1405 T HA -0.386 3.964 4.350 -0.000 0.000 0.106 1405 T C 1.771 176.332 174.700 -0.232 0.000 1.782 1405 T CA 2.185 64.186 62.100 -0.165 0.000 0.802 1405 T CB -1.265 67.517 68.868 -0.144 0.000 0.843 1405 T HN 0.086 nan 8.240 nan 0.000 0.407 1406 V N 2.563 122.299 119.914 -0.297 0.000 2.250 1406 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 1406 V C 2.756 178.523 176.094 -0.545 0.000 1.060 1406 V CA 2.828 64.820 62.300 -0.513 0.000 1.030 1406 V CB -0.905 30.576 31.823 -0.569 0.000 0.643 1406 V HN 0.620 nan 8.190 nan 0.000 0.445 1407 E N -0.363 119.662 120.200 -0.292 0.000 2.049 1407 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 1407 E C 2.172 178.738 176.600 -0.057 0.000 1.007 1407 E CA 1.897 58.245 56.400 -0.086 0.000 0.809 1407 E CB -0.307 29.364 29.700 -0.048 0.000 0.749 1407 E HN 0.568 nan 8.360 nan 0.000 0.450 1408 I N 1.068 121.565 120.570 -0.121 0.000 2.151 1408 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 1408 I C 2.605 178.643 176.117 -0.131 0.000 1.080 1408 I CA 1.079 62.314 61.300 -0.108 0.000 1.339 1408 I CB -0.280 37.646 38.000 -0.123 0.000 1.039 1408 I HN 0.166 nan 8.210 nan 0.000 0.409 1409 L N -0.081 121.011 121.223 -0.218 0.000 1.994 1409 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 1409 L C 2.609 179.381 176.870 -0.164 0.000 1.071 1409 L CA 1.676 56.321 54.840 -0.325 0.000 0.745 1409 L CB -0.458 41.366 42.059 -0.391 0.000 0.892 1409 L HN 0.142 nan 8.230 nan 0.000 0.431 1410 F N 0.061 119.945 119.950 -0.109 0.000 2.045 1410 F HA -0.362 4.164 4.527 -0.000 0.000 0.297 1410 F C 2.378 178.278 175.800 0.167 0.000 1.114 1410 F CA 1.446 59.475 58.000 0.048 0.000 1.207 1410 F CB -0.116 38.934 39.000 0.084 0.000 0.964 1410 F HN 0.201 nan 8.300 nan 0.000 0.486 1411 E N 0.243 120.598 120.200 0.257 0.000 2.416 1411 E HA 0.040 4.390 4.350 -0.000 0.000 0.189 1411 E C 1.371 177.945 176.600 -0.043 0.000 1.091 1411 E CA 0.201 56.634 56.400 0.055 0.000 0.889 1411 E CB 0.136 29.824 29.700 -0.020 0.000 1.015 1411 E HN 0.389 nan 8.360 nan 0.000 0.479 1412 A N -0.231 122.548 122.820 -0.067 0.000 1.871 1412 A HA 0.098 4.418 4.320 -0.000 0.000 0.211 1412 A C 2.187 179.767 177.584 -0.007 0.000 1.207 1412 A CA 0.944 52.913 52.037 -0.113 0.000 0.620 1412 A CB -0.487 18.224 19.000 -0.482 0.000 0.860 1412 A HN 0.359 nan 8.150 nan 0.000 0.450 1413 G N -0.810 107.982 108.800 -0.013 0.000 2.572 1413 G HA2 0.216 4.176 3.960 -0.000 0.000 0.216 1413 G HA3 0.216 4.176 3.960 -0.000 0.000 0.216 1413 G C 1.459 176.394 174.900 0.057 0.000 1.133 1413 G CA 1.074 46.233 45.100 0.099 0.000 0.791 1413 G HN 0.690 nan 8.290 nan 0.000 0.538 1414 A N 0.432 123.241 122.820 -0.019 0.000 1.968 1414 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 1414 A C 2.105 179.414 177.584 -0.458 0.000 1.169 1414 A CA 1.641 53.495 52.037 -0.305 0.000 0.638 1414 A CB 0.016 18.697 19.000 -0.532 0.000 0.812 1414 A HN 0.209 nan 8.150 nan 0.000 0.446 1415 S N -1.000 114.516 115.700 -0.305 0.000 2.588 1415 S HA 0.480 4.950 4.470 -0.000 0.000 0.245 1415 S C 0.815 175.353 174.600 -0.104 0.000 1.021 1415 S CA 0.308 58.318 58.200 -0.316 0.000 1.006 1415 S CB 0.222 63.258 63.200 -0.273 0.000 0.830 1415 S HN 1.458 nan 8.310 nan 0.000 0.468 1416 A N 1.594 124.405 122.820 -0.016 0.000 2.714 1416 A HA -0.252 4.068 4.320 -0.000 0.000 0.305 1416 A C 0.489 178.115 177.584 0.070 0.000 1.520 1416 A CA 0.921 53.009 52.037 0.085 0.000 0.879 1416 A CB -1.694 17.424 19.000 0.197 0.000 0.976 1416 A HN 0.641 nan 8.150 nan 0.000 0.487 1417 E N -1.999 118.252 120.200 0.085 0.000 2.485 1417 E HA 0.222 4.572 4.350 -0.000 0.000 0.266 1417 E C -0.113 176.509 176.600 0.036 0.000 1.137 1417 E CA 0.402 56.858 56.400 0.093 0.000 1.010 1417 E CB 0.251 30.053 29.700 0.171 0.000 0.986 1417 E HN 0.647 nan 8.360 nan 0.000 0.460 1418 L N 1.926 123.145 121.223 -0.006 0.000 2.436 1418 L HA 0.333 4.673 4.340 -0.000 0.000 0.268 1418 L C -1.306 175.509 176.870 -0.091 0.000 0.974 1418 L CA -0.370 54.408 54.840 -0.104 0.000 0.826 1418 L CB 1.990 44.006 42.059 -0.070 0.000 1.291 1418 L HN 0.359 nan 8.230 nan 0.000 0.406 1419 D N 2.526 122.819 120.400 -0.178 0.000 2.308 1419 D HA 0.242 4.882 4.640 -0.000 0.000 0.242 1419 D C 0.018 176.256 176.300 -0.104 0.000 1.059 1419 D CA -0.177 53.754 54.000 -0.116 0.000 0.830 1419 D CB 1.852 42.573 40.800 -0.131 0.000 1.161 1419 D HN 0.604 nan 8.370 nan 0.000 0.494 1420 D N 1.768 122.134 120.400 -0.057 0.000 2.219 1420 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 1420 D C 0.962 177.232 176.300 -0.049 0.000 0.970 1420 D CA 0.553 54.525 54.000 -0.046 0.000 0.851 1420 D CB 0.046 40.831 40.800 -0.024 0.000 0.943 1420 D HN 0.493 nan 8.370 nan 0.000 0.488 1421 C N 0.219 119.491 119.300 -0.048 0.000 4.497 1421 C HA -0.159 4.301 4.460 -0.000 0.000 0.292 1421 C C 1.606 176.576 174.990 -0.033 0.000 1.366 1421 C CA -0.133 58.858 59.018 -0.045 0.000 1.987 1421 C CB -2.581 25.124 27.740 -0.059 0.000 1.241 1421 C HN 0.408 nan 8.230 nan 0.000 0.788 1422 R N 0.308 120.794 120.500 -0.023 0.000 2.223 1422 R HA 0.181 4.521 4.340 -0.000 0.000 0.198 1422 R C 1.476 177.766 176.300 -0.017 0.000 0.984 1422 R CA 0.789 56.880 56.100 -0.015 0.000 1.018 1422 R CB 0.182 30.479 30.300 -0.004 0.000 0.945 1422 R HN 0.629 nan 8.270 nan 0.000 0.479 1423 G N 0.146 108.936 108.800 -0.016 0.000 2.467 1423 G HA2 0.224 4.184 3.960 -0.000 0.000 0.257 1423 G HA3 0.224 4.184 3.960 -0.000 0.000 0.257 1423 G C 1.161 176.042 174.900 -0.031 0.000 1.227 1423 G CA -0.608 44.481 45.100 -0.018 0.000 0.835 1423 G HN -0.104 nan 8.290 nan 0.000 0.556 1424 V N 2.456 122.344 119.914 -0.043 0.000 2.215 1424 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 1424 V C 3.035 179.103 176.094 -0.044 0.000 1.054 1424 V CA 2.694 64.960 62.300 -0.055 0.000 1.012 1424 V CB -1.227 30.555 31.823 -0.069 0.000 0.639 1424 V HN 0.756 nan 8.190 nan 0.000 0.448 1425 S N -0.262 115.419 115.700 -0.033 0.000 2.372 1425 S HA -0.300 4.170 4.470 -0.000 0.000 0.227 1425 S C 1.823 176.413 174.600 -0.016 0.000 1.044 1425 S CA 1.783 59.970 58.200 -0.021 0.000 1.050 1425 S CB -0.602 62.597 63.200 -0.001 0.000 0.901 1425 S HN 0.671 nan 8.310 nan 0.000 0.447 1426 E N 2.022 122.214 120.200 -0.012 0.000 2.082 1426 E HA -0.212 4.138 4.350 -0.000 0.000 0.215 1426 E C 1.889 178.474 176.600 -0.024 0.000 1.048 1426 E CA 1.452 57.844 56.400 -0.013 0.000 0.869 1426 E CB -0.912 28.776 29.700 -0.020 0.000 0.773 1426 E HN 0.591 nan 8.360 nan 0.000 0.466 1427 N N 0.537 119.217 118.700 -0.034 0.000 2.142 1427 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 1427 N C 2.143 177.629 175.510 -0.039 0.000 1.023 1427 N CA 0.940 53.966 53.050 -0.040 0.000 0.852 1427 N CB -0.333 38.126 38.487 -0.048 0.000 0.998 1427 N HN -0.024 nan 8.380 nan 0.000 0.424 1428 V N 2.460 122.350 119.914 -0.040 0.000 2.317 1428 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 1428 V C 2.233 178.308 176.094 -0.032 0.000 1.065 1428 V CA 1.492 63.768 62.300 -0.040 0.000 1.049 1428 V CB -0.362 31.436 31.823 -0.040 0.000 0.651 1428 V HN 0.252 nan 8.190 nan 0.000 0.450 1429 I N -1.074 119.482 120.570 -0.023 0.000 2.439 1429 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 1429 I C 2.046 178.152 176.117 -0.019 0.000 1.139 1429 I CA 1.291 62.581 61.300 -0.016 0.000 1.438 1429 I CB -0.199 37.799 38.000 -0.004 0.000 1.085 1429 I HN 0.259 nan 8.210 nan 0.000 0.427 1430 L N 0.240 121.448 121.223 -0.025 0.000 2.375 1430 L HA 0.181 4.521 4.340 -0.000 0.000 0.215 1430 L C 1.494 178.344 176.870 -0.032 0.000 1.108 1430 L CA 0.660 55.483 54.840 -0.029 0.000 0.830 1430 L CB -0.258 41.780 42.059 -0.035 0.000 0.959 1430 L HN 0.484 nan 8.230 nan 0.000 0.457 1431 G N 0.412 109.191 108.800 -0.035 0.000 2.142 1431 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 1431 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 1431 G C 0.002 174.876 174.900 -0.042 0.000 1.015 1431 G CA -0.206 44.871 45.100 -0.039 0.000 0.716 1431 G HN 0.421 nan 8.290 nan 0.000 0.508 1432 Q N -0.663 119.110 119.800 -0.044 0.000 2.297 1432 Q HA 0.643 4.983 4.340 -0.000 0.000 0.268 1432 Q C 0.379 176.346 176.000 -0.056 0.000 1.045 1432 Q CA -1.156 54.618 55.803 -0.047 0.000 0.861 1432 Q CB 1.543 30.254 28.738 -0.045 0.000 1.344 1432 Q HN 0.366 nan 8.270 nan 0.000 0.452 1433 M N 1.830 121.394 119.600 -0.061 0.000 2.307 1433 M HA 0.227 4.707 4.480 -0.000 0.000 0.346 1433 M C -0.616 175.635 176.300 -0.081 0.000 1.552 1433 M CA -0.041 55.214 55.300 -0.075 0.000 1.116 1433 M CB 0.300 32.850 32.600 -0.084 0.000 1.889 1433 M HN 0.785 nan 8.290 nan 0.000 0.460 1434 A N 7.378 130.147 122.820 -0.084 0.000 2.440 1434 A HA 0.426 4.746 4.320 -0.000 0.000 0.251 1434 A C -2.377 175.145 177.584 -0.103 0.000 1.089 1434 A CA -1.340 50.647 52.037 -0.084 0.000 0.779 1434 A CB -0.426 18.526 19.000 -0.080 0.000 1.022 1434 A HN 0.644 nan 8.150 nan 0.000 0.492 1435 P HA 0.214 nan 4.420 nan 0.000 0.252 1435 P C -1.025 176.205 177.300 -0.117 0.000 1.635 1435 P CA 1.024 64.064 63.100 -0.099 0.000 1.206 1435 P CB -0.452 31.216 31.700 -0.053 0.000 1.911 1436 I N 0.624 121.104 120.570 -0.150 0.000 2.644 1436 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 1436 I C 1.221 177.236 176.117 -0.170 0.000 1.180 1436 I CA -0.734 60.474 61.300 -0.153 0.000 1.040 1436 I CB 2.091 40.013 38.000 -0.131 0.000 1.255 1436 I HN 0.342 nan 8.210 nan 0.000 0.422 1437 G N 3.900 112.608 108.800 -0.155 0.000 2.685 1437 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.357 1437 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.357 1437 G C 0.992 175.781 174.900 -0.184 0.000 1.272 1437 G CA 1.374 46.404 45.100 -0.117 0.000 0.972 1437 G HN 0.622 nan 8.290 nan 0.000 0.550 1438 T N 0.631 115.096 114.554 -0.149 0.000 2.777 1438 T HA -0.247 4.103 4.350 -0.000 0.000 0.259 1438 T C 2.007 176.387 174.700 -0.533 0.000 1.034 1438 T CA 2.919 64.885 62.100 -0.224 0.000 1.161 1438 T CB -0.667 68.118 68.868 -0.138 0.000 0.843 1438 T HN 1.659 nan 8.240 nan 0.000 0.477 1439 G N -0.513 108.034 108.800 -0.421 0.000 3.707 1439 G HA2 0.495 4.455 3.960 -0.000 0.000 0.286 1439 G HA3 0.495 4.455 3.960 -0.000 0.000 0.286 1439 G C 0.724 175.378 174.900 -0.411 0.000 1.112 1439 G CA 0.326 45.161 45.100 -0.440 0.000 0.861 1439 G HN 0.585 nan 8.290 nan 0.000 0.534 1440 A N 0.387 122.915 122.820 -0.487 0.000 2.411 1440 A HA 0.667 4.987 4.320 -0.000 0.000 0.251 1440 A C 0.069 177.635 177.584 -0.031 0.000 1.317 1440 A CA -0.259 51.644 52.037 -0.223 0.000 0.904 1440 A CB -0.668 18.219 19.000 -0.188 0.000 0.993 1440 A HN 0.788 nan 8.150 nan 0.000 0.504 1441 F N -4.056 115.926 119.950 0.054 0.000 2.900 1441 F HA 0.629 5.156 4.527 -0.000 0.000 0.321 1441 F C -1.568 174.280 175.800 0.081 0.000 1.160 1441 F CA -1.834 56.243 58.000 0.128 0.000 0.890 1441 F CB 0.323 39.481 39.000 0.263 0.000 1.334 1441 F HN -0.146 nan 8.300 nan 0.000 0.459 1442 D N 0.634 121.301 120.400 0.446 0.000 2.374 1442 D HA 0.669 5.309 4.640 -0.000 0.000 0.239 1442 D C -1.163 175.319 176.300 0.303 0.000 0.991 1442 D CA -0.226 53.938 54.000 0.275 0.000 0.960 1442 D CB 2.729 43.617 40.800 0.147 0.000 1.284 1442 D HN 0.699 nan 8.370 nan 0.000 0.512 1443 V N -1.241 118.789 119.914 0.194 0.000 2.604 1443 V HA 0.783 4.903 4.120 -0.000 0.000 0.305 1443 V C -0.548 175.602 176.094 0.092 0.000 1.043 1443 V CA -0.701 61.689 62.300 0.150 0.000 0.888 1443 V CB 1.710 33.622 31.823 0.148 0.000 0.995 1443 V HN 0.466 nan 8.190 nan 0.000 0.429 1444 M N 4.536 124.179 119.600 0.072 0.000 2.378 1444 M HA 0.588 5.068 4.480 -0.000 0.000 0.289 1444 M C -1.347 174.981 176.300 0.046 0.000 1.136 1444 M CA -0.405 54.926 55.300 0.053 0.000 0.917 1444 M CB 2.434 35.060 32.600 0.044 0.000 1.669 1444 M HN 0.623 nan 8.290 nan 0.000 0.461 1445 I N 2.025 122.621 120.570 0.043 0.000 2.494 1445 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 1445 I C 0.197 176.332 176.117 0.029 0.000 1.106 1445 I CA 0.137 61.463 61.300 0.043 0.000 1.369 1445 I CB -0.261 37.763 38.000 0.040 0.000 1.410 1445 I HN 0.461 nan 8.210 nan 0.000 0.523 1446 D N 6.332 126.747 120.400 0.025 0.000 2.441 1446 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 1446 D C 1.265 177.558 176.300 -0.011 0.000 1.156 1446 D CA -0.034 53.967 54.000 0.003 0.000 0.896 1446 D CB 0.551 41.346 40.800 -0.009 0.000 1.028 1446 D HN 0.484 nan 8.370 nan 0.000 0.509 1447 E N 3.403 123.599 120.200 -0.006 0.000 2.132 1447 E HA -0.321 4.029 4.350 -0.000 0.000 0.218 1447 E C 0.951 177.530 176.600 -0.035 0.000 1.058 1447 E CA 1.641 58.034 56.400 -0.011 0.000 0.882 1447 E CB 0.214 29.909 29.700 -0.009 0.000 0.774 1447 E HN 0.701 nan 8.360 nan 0.000 0.467 1448 E N -0.046 120.124 120.200 -0.049 0.000 2.028 1448 E HA -0.240 4.110 4.350 -0.000 0.000 0.217 1448 E C 2.102 178.616 176.600 -0.144 0.000 1.039 1448 E CA 2.148 58.500 56.400 -0.079 0.000 0.882 1448 E CB -0.427 29.228 29.700 -0.075 0.000 0.794 1448 E HN 0.411 nan 8.360 nan 0.000 0.488 1449 S N 1.233 116.813 115.700 -0.200 0.000 2.423 1449 S HA -0.209 4.261 4.470 -0.000 0.000 0.238 1449 S C 1.853 176.199 174.600 -0.423 0.000 1.028 1449 S CA 1.254 59.192 58.200 -0.436 0.000 1.000 1449 S CB -0.349 62.622 63.200 -0.381 0.000 0.797 1449 S HN 0.238 nan 8.310 nan 0.000 0.487 1450 L N 0.754 121.900 121.223 -0.128 0.000 2.711 1450 L HA 0.343 4.683 4.340 -0.000 0.000 0.242 1450 L C 1.353 178.226 176.870 0.005 0.000 1.153 1450 L CA 0.509 55.354 54.840 0.010 0.000 0.898 1450 L CB -0.055 42.027 42.059 0.038 0.000 1.044 1450 L HN 0.239 nan 8.230 nan 0.000 0.437 1451 V N -1.806 118.071 119.914 -0.062 0.000 3.350 1451 V HA 0.033 4.152 4.120 -0.000 0.000 0.246 1451 V C 2.005 178.076 176.094 -0.039 0.000 1.363 1451 V CA 0.312 62.596 62.300 -0.026 0.000 1.162 1451 V CB 0.388 32.193 31.823 -0.031 0.000 0.947 1451 V HN 0.345 nan 8.190 nan 0.000 0.454 1452 K N 0.087 120.403 120.400 -0.140 0.000 2.442 1452 K HA -0.063 4.257 4.320 -0.000 0.000 0.198 1452 K C -0.001 176.587 176.600 -0.021 0.000 1.042 1452 K CA 0.933 57.132 56.287 -0.146 0.000 0.958 1452 K CB -0.046 32.280 32.500 -0.290 0.000 0.766 1452 K HN 0.549 nan 8.250 nan 0.000 0.474 1453 Y N 2.142 122.445 120.300 0.005 0.000 2.804 1453 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 1453 Y C -0.432 175.472 175.900 0.007 0.000 1.092 1453 Y CA -1.081 57.023 58.100 0.006 0.000 1.315 1453 Y CB 0.272 38.736 38.460 0.007 0.000 1.188 1453 Y HN 0.020 nan 8.280 nan 0.000 0.512 1454 M N 2.206 121.898 119.600 0.155 0.000 2.482 1454 M HA 0.369 4.849 4.480 -0.000 0.000 0.196 1454 M C -3.241 173.095 176.300 0.060 0.000 0.921 1454 M CA -1.266 54.086 55.300 0.087 0.000 0.774 1454 M CB 0.555 33.196 32.600 0.069 0.000 2.510 1454 M HN 0.147 nan 8.290 nan 0.000 0.414 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