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 3fki_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKKDRAT GDADEPELRV 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 XXXXXXXXXS KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSXXXXXX XXXFDQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRPXXXXXX 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 KYM 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 0.000 176.093 176.094 -0.001 0.000 1.182 2 V CA 0.000 62.301 62.300 0.001 0.000 1.235 2 V CB 0.000 31.823 31.823 0.000 0.000 1.184 3 G N 1.968 110.768 108.800 -0.001 0.000 4.251 3 G HA2 0.236 4.192 3.960 -0.006 0.000 0.221 3 G HA3 0.236 4.192 3.960 -0.006 0.000 0.221 3 G C -0.262 174.638 174.900 -0.000 0.000 0.836 3 G CA 0.170 45.268 45.100 -0.003 0.000 1.033 3 G HN 0.810 nan 8.290 nan 0.000 0.759 4 Q N -0.259 119.544 119.800 0.005 0.000 3.236 4 Q HA -0.150 4.186 4.340 -0.006 0.000 0.025 4 Q C 0.108 176.120 176.000 0.020 0.000 1.711 4 Q CA 1.298 57.108 55.803 0.011 0.000 0.240 4 Q CB -1.067 27.674 28.738 0.004 0.000 0.585 4 Q HN 1.256 nan 8.270 nan 0.000 0.322 5 Q N -1.113 118.710 119.800 0.037 0.000 3.238 5 Q HA -0.226 4.110 4.340 -0.006 0.000 0.025 5 Q C -0.972 175.085 176.000 0.094 0.000 1.711 5 Q CA 0.624 56.465 55.803 0.063 0.000 0.239 5 Q CB -0.357 28.407 28.738 0.043 0.000 0.585 5 Q HN 0.622 nan 8.270 nan 0.000 0.322 6 Y N 1.518 121.819 120.300 0.001 0.000 2.336 6 Y HA 0.338 4.884 4.550 -0.007 0.000 0.331 6 Y C -0.028 175.875 175.900 0.005 0.000 1.211 6 Y CA 0.742 58.844 58.100 0.003 0.000 1.346 6 Y CB 1.398 39.860 38.460 0.004 0.000 1.271 6 Y HN 0.415 nan 8.280 nan 0.000 0.538 7 S N 2.698 117.930 115.700 -0.780 0.000 2.473 7 S HA 0.336 4.802 4.470 -0.006 0.000 0.307 7 S C 0.306 174.402 174.600 -0.840 0.000 1.094 7 S CA -0.528 57.322 58.200 -0.583 0.000 1.070 7 S CB 1.186 64.191 63.200 -0.324 0.000 1.019 7 S HN 0.819 nan 8.310 nan 0.000 0.480 8 S N 3.082 118.556 115.700 -0.377 0.000 2.461 8 S HA 0.180 4.646 4.470 -0.006 0.000 0.228 8 S C 0.933 175.455 174.600 -0.129 0.000 1.005 8 S CA 0.429 58.525 58.200 -0.173 0.000 0.942 8 S CB -0.184 63.007 63.200 -0.016 0.000 0.776 8 S HN 0.902 nan 8.310 nan 0.000 0.514 9 A N 3.525 126.259 122.820 -0.143 0.000 2.440 9 A HA 0.459 4.776 4.320 -0.006 0.000 0.251 9 A C -2.113 175.414 177.584 -0.096 0.000 1.089 9 A CA -1.237 50.745 52.037 -0.091 0.000 0.779 9 A CB -0.197 18.758 19.000 -0.074 0.000 1.022 9 A HN 0.156 nan 8.150 nan 0.000 0.492 10 P HA 0.379 nan 4.420 nan 0.000 0.275 10 P C -0.798 176.481 177.300 -0.036 0.000 1.227 10 P CA -0.307 62.771 63.100 -0.036 0.000 0.781 10 P CB 0.705 32.397 31.700 -0.013 0.000 0.906 11 L N 1.709 122.914 121.223 -0.031 0.000 2.326 11 L HA 0.659 4.995 4.340 -0.006 0.000 0.278 11 L C 0.336 177.198 176.870 -0.014 0.000 1.092 11 L CA -0.033 54.792 54.840 -0.025 0.000 0.810 11 L CB 0.724 42.769 42.059 -0.024 0.000 1.153 11 L HN 0.306 nan 8.230 nan 0.000 0.439 12 R N 0.428 120.919 120.500 -0.014 0.000 2.846 12 R HA 0.712 5.048 4.340 -0.006 0.000 0.263 12 R C -0.923 175.370 176.300 -0.012 0.000 1.080 12 R CA -0.476 55.618 56.100 -0.010 0.000 0.961 12 R CB 2.240 32.534 30.300 -0.010 0.000 1.231 12 R HN 0.875 nan 8.270 nan 0.000 0.465 13 T N -1.622 112.926 114.554 -0.011 0.000 2.895 13 T HA 0.410 4.757 4.350 -0.006 0.000 0.283 13 T C 0.221 174.911 174.700 -0.016 0.000 1.014 13 T CA -0.871 61.221 62.100 -0.013 0.000 1.037 13 T CB 1.406 70.267 68.868 -0.012 0.000 1.006 13 T HN 0.328 nan 8.240 nan 0.000 0.468 14 V N 1.219 121.121 119.914 -0.020 0.000 2.387 14 V HA 0.416 4.532 4.120 -0.006 0.000 0.260 14 V C 0.808 176.887 176.094 -0.026 0.000 1.054 14 V CA -0.531 61.752 62.300 -0.027 0.000 0.967 14 V CB -0.112 31.690 31.823 -0.034 0.000 1.036 14 V HN 0.862 nan 8.190 nan 0.000 0.481 15 K N 2.659 123.043 120.400 -0.025 0.000 2.166 15 K HA 0.241 4.557 4.320 -0.006 0.000 0.201 15 K C 0.611 177.194 176.600 -0.028 0.000 1.052 15 K CA 0.984 57.259 56.287 -0.021 0.000 0.969 15 K CB 0.261 32.752 32.500 -0.015 0.000 0.761 15 K HN 0.882 nan 8.250 nan 0.000 0.459 16 E N -0.128 120.046 120.200 -0.044 0.000 2.272 16 E HA 0.324 4.670 4.350 -0.006 0.000 0.269 16 E C -1.500 175.037 176.600 -0.106 0.000 0.877 16 E CA -0.670 55.693 56.400 -0.062 0.000 0.755 16 E CB 2.827 32.492 29.700 -0.058 0.000 1.192 16 E HN -0.274 nan 8.360 nan 0.000 0.422 17 V N 3.401 123.230 119.914 -0.142 0.000 2.326 17 V HA 0.166 4.282 4.120 -0.006 0.000 0.281 17 V C -0.221 175.645 176.094 -0.379 0.000 1.015 17 V CA -0.770 61.357 62.300 -0.287 0.000 0.823 17 V CB 1.254 32.881 31.823 -0.327 0.000 1.009 17 V HN 0.590 nan 8.190 nan 0.000 0.436 18 Q N 3.404 122.987 119.800 -0.363 0.000 2.267 18 Q HA 0.441 4.777 4.340 -0.006 0.000 0.255 18 Q C -1.176 174.568 176.000 -0.427 0.000 0.923 18 Q CA -0.085 55.520 55.803 -0.330 0.000 0.925 18 Q CB 1.568 30.151 28.738 -0.258 0.000 1.195 18 Q HN 0.626 nan 8.270 nan 0.000 0.417 19 F N 1.354 121.230 119.950 -0.123 0.000 2.332 19 F HA 0.468 4.992 4.527 -0.006 0.000 0.368 19 F C 0.896 176.672 175.800 -0.041 0.000 1.110 19 F CA -0.381 57.575 58.000 -0.073 0.000 1.087 19 F CB 1.472 40.435 39.000 -0.062 0.000 1.235 19 F HN 0.489 nan 8.300 nan 0.000 0.470 20 G N 3.221 112.113 108.800 0.154 0.000 3.013 20 G HA2 0.807 4.763 3.960 -0.006 0.000 0.278 20 G HA3 0.807 4.763 3.960 -0.006 0.000 0.278 20 G C -1.480 173.488 174.900 0.112 0.000 1.353 20 G CA -0.877 44.342 45.100 0.199 0.000 1.043 20 G HN 0.402 nan 8.290 nan 0.000 0.523 21 L N -0.349 120.946 121.223 0.120 0.000 2.342 21 L HA 0.474 4.810 4.340 -0.006 0.000 0.271 21 L C -0.749 176.062 176.870 -0.098 0.000 1.008 21 L CA -0.804 54.093 54.840 0.097 0.000 0.818 21 L CB 2.096 44.293 42.059 0.229 0.000 1.296 21 L HN 0.319 nan 8.230 nan 0.000 0.427 22 F N 0.948 120.846 119.950 -0.087 0.000 2.543 22 F HA 0.058 4.581 4.527 -0.007 0.000 0.375 22 F C 0.776 176.232 175.800 -0.574 0.000 1.075 22 F CA 0.380 58.224 58.000 -0.259 0.000 1.225 22 F CB 0.741 39.659 39.000 -0.136 0.000 1.099 22 F HN 0.363 nan 8.300 nan 0.000 0.561 23 S N 6.947 122.281 115.700 -0.611 0.000 2.499 23 S HA 0.200 4.666 4.470 -0.006 0.000 0.279 23 S C -1.632 172.741 174.600 -0.378 0.000 1.219 23 S CA -1.070 56.494 58.200 -1.059 0.000 1.062 23 S CB 1.433 63.947 63.200 -1.142 0.000 0.978 23 S HN 0.381 nan 8.310 nan 0.000 0.489 24 P HA -0.128 nan 4.420 nan 0.000 0.217 24 P C 0.864 178.110 177.300 -0.090 0.000 1.148 24 P CA 1.063 64.114 63.100 -0.082 0.000 0.828 24 P CB 0.189 31.902 31.700 0.022 0.000 0.783 25 E N -0.628 119.519 120.200 -0.088 0.000 2.106 25 E HA -0.171 4.175 4.350 -0.006 0.000 0.192 25 E C 2.015 178.553 176.600 -0.103 0.000 0.984 25 E CA 0.941 57.293 56.400 -0.080 0.000 0.806 25 E CB -0.563 29.110 29.700 -0.046 0.000 0.750 25 E HN 0.391 nan 8.360 nan 0.000 0.458 26 E N -0.024 120.108 120.200 -0.114 0.000 2.107 26 E HA -0.115 4.231 4.350 -0.006 0.000 0.191 26 E C 1.843 178.405 176.600 -0.065 0.000 0.982 26 E CA 0.743 57.100 56.400 -0.072 0.000 0.809 26 E CB 0.259 29.928 29.700 -0.052 0.000 0.756 26 E HN 0.071 nan 8.360 nan 0.000 0.459 27 V N 1.115 120.955 119.914 -0.123 0.000 2.343 27 V HA -0.270 3.846 4.120 -0.006 0.000 0.247 27 V C 2.319 178.303 176.094 -0.182 0.000 1.051 27 V CA 1.972 64.134 62.300 -0.231 0.000 1.036 27 V CB -0.511 31.146 31.823 -0.278 0.000 0.654 27 V HN 0.226 nan 8.190 nan 0.000 0.451 28 R N 0.160 120.519 120.500 -0.235 0.000 2.092 28 R HA -0.052 4.284 4.340 -0.006 0.000 0.231 28 R C 2.412 178.556 176.300 -0.261 0.000 1.119 28 R CA 1.449 57.296 56.100 -0.420 0.000 0.970 28 R CB -0.520 29.559 30.300 -0.369 0.000 0.864 28 R HN 0.541 nan 8.270 nan 0.000 0.440 29 A N 0.885 123.614 122.820 -0.151 0.000 1.898 29 A HA -0.045 4.272 4.320 -0.006 0.000 0.214 29 A C 2.110 179.661 177.584 -0.054 0.000 1.183 29 A CA 0.833 52.814 52.037 -0.092 0.000 0.622 29 A CB -0.299 18.658 19.000 -0.071 0.000 0.824 29 A HN 0.146 nan 8.150 nan 0.000 0.444 30 I N 0.018 120.565 120.570 -0.037 0.000 2.226 30 I HA -0.144 4.022 4.170 -0.006 0.000 0.245 30 I C 0.825 176.964 176.117 0.038 0.000 1.100 30 I CA 0.557 61.863 61.300 0.010 0.000 1.374 30 I CB -0.101 37.918 38.000 0.032 0.000 1.057 30 I HN 0.142 nan 8.210 nan 0.000 0.413 31 S N -0.246 115.475 115.700 0.034 0.000 2.672 31 S HA 0.327 4.793 4.470 -0.006 0.000 0.276 31 S C 0.226 174.870 174.600 0.074 0.000 1.207 31 S CA -0.688 57.569 58.200 0.095 0.000 1.002 31 S CB 2.088 65.378 63.200 0.151 0.000 0.998 31 S HN 0.134 nan 8.310 nan 0.000 0.542 32 V N -1.061 118.905 119.914 0.086 0.000 2.778 32 V HA 0.567 4.684 4.120 -0.006 0.000 0.356 32 V C 0.870 177.012 176.094 0.081 0.000 1.283 32 V CA -0.237 62.100 62.300 0.062 0.000 1.247 32 V CB -0.549 31.280 31.823 0.009 0.000 1.408 32 V HN 0.819 nan 8.190 nan 0.000 0.620 33 A N 1.121 124.018 122.820 0.128 0.000 1.832 33 A HA 0.062 4.378 4.320 -0.006 0.000 0.214 33 A C 1.706 179.313 177.584 0.037 0.000 1.204 33 A CA 1.682 53.762 52.037 0.072 0.000 0.606 33 A CB -0.331 18.692 19.000 0.038 0.000 0.849 33 A HN 0.595 nan 8.150 nan 0.000 0.445 34 K N -1.751 118.674 120.400 0.042 0.000 3.349 34 K HA -0.209 4.107 4.320 -0.006 0.000 0.310 34 K C 0.100 176.672 176.600 -0.046 0.000 1.267 34 K CA 0.975 57.269 56.287 0.012 0.000 0.920 34 K CB -2.644 29.884 32.500 0.046 0.000 1.240 34 K HN 0.673 nan 8.250 nan 0.000 0.453 35 I N 0.926 121.434 120.570 -0.104 0.000 2.742 35 I HA -0.104 4.062 4.170 -0.006 0.000 0.287 35 I C 1.438 177.488 176.117 -0.113 0.000 1.186 35 I CA 0.850 62.101 61.300 -0.082 0.000 1.417 35 I CB 0.236 38.177 38.000 -0.097 0.000 1.377 35 I HN 0.295 nan 8.210 nan 0.000 0.556 36 R N 4.744 125.208 120.500 -0.061 0.000 2.851 36 R HA 0.242 4.578 4.340 -0.006 0.000 0.177 36 R C -0.394 175.767 176.300 -0.231 0.000 0.888 36 R CA -0.403 55.593 56.100 -0.173 0.000 1.326 36 R CB 0.206 30.362 30.300 -0.240 0.000 1.668 36 R HN 0.472 nan 8.270 nan 0.000 0.575 37 F N 3.301 123.209 119.950 -0.070 0.000 2.445 37 F HA 0.285 4.808 4.527 -0.006 0.000 0.359 37 F C -1.337 174.417 175.800 -0.076 0.000 1.101 37 F CA -2.131 55.831 58.000 -0.064 0.000 1.177 37 F CB 1.446 40.411 39.000 -0.058 0.000 1.110 37 F HN 0.021 nan 8.300 nan 0.000 0.522 38 P HA -0.098 nan 4.420 nan 0.000 0.229 38 P C -0.298 177.004 177.300 0.004 0.000 1.160 38 P CA 0.673 63.774 63.100 0.002 0.000 0.777 38 P CB 0.170 31.856 31.700 -0.023 0.000 0.814 39 E N 0.258 120.492 120.200 0.057 0.000 2.376 39 E HA 0.023 4.369 4.350 -0.006 0.000 0.266 39 E C 1.442 178.017 176.600 -0.042 0.000 1.009 39 E CA 0.198 56.602 56.400 0.006 0.000 0.902 39 E CB 0.565 30.279 29.700 0.023 0.000 0.972 39 E HN 0.188 nan 8.360 nan 0.000 0.439 40 T N 1.522 116.019 114.554 -0.095 0.000 2.555 40 T HA -0.251 4.095 4.350 -0.006 0.000 0.264 40 T C 0.953 175.590 174.700 -0.106 0.000 1.083 40 T CA 1.976 63.995 62.100 -0.134 0.000 1.179 40 T CB -0.127 68.630 68.868 -0.185 0.000 0.863 40 T HN 0.603 nan 8.240 nan 0.000 0.412 41 M N -1.660 117.879 119.600 -0.103 0.000 2.196 41 M HA 0.651 5.127 4.480 -0.006 0.000 0.552 41 M C -1.727 174.511 176.300 -0.103 0.000 2.201 41 M CA -0.571 54.667 55.300 -0.104 0.000 0.593 41 M CB -0.288 32.254 32.600 -0.096 0.000 4.174 41 M HN -0.034 nan 8.290 nan 0.000 0.472 42 D N 1.690 122.033 120.400 -0.095 0.000 4.847 42 D HA -0.075 4.561 4.640 -0.006 0.000 0.237 42 D C -1.178 175.065 176.300 -0.096 0.000 1.164 42 D CA 0.732 54.681 54.000 -0.085 0.000 1.196 42 D CB -0.138 40.618 40.800 -0.072 0.000 0.717 42 D HN 0.694 nan 8.370 nan 0.000 0.348 43 E N 2.037 122.183 120.200 -0.090 0.000 2.127 43 E HA 0.112 4.459 4.350 -0.006 0.000 0.295 43 E C 0.099 176.650 176.600 -0.082 0.000 1.155 43 E CA 0.364 56.706 56.400 -0.096 0.000 1.201 43 E CB -0.369 29.282 29.700 -0.081 0.000 1.083 43 E HN 0.429 nan 8.360 nan 0.000 0.472 44 T N 2.371 116.873 114.554 -0.087 0.000 3.247 44 T HA -0.277 4.069 4.350 -0.006 0.000 0.434 44 T C 0.584 175.253 174.700 -0.050 0.000 0.770 44 T CA 0.974 63.035 62.100 -0.065 0.000 2.236 44 T CB -1.295 67.539 68.868 -0.058 0.000 1.678 44 T HN 0.808 nan 8.240 nan 0.000 0.645 45 Q N -2.701 117.070 119.800 -0.050 0.000 2.306 45 Q HA -0.210 4.126 4.340 -0.006 0.000 0.149 45 Q C 0.447 176.421 176.000 -0.042 0.000 0.719 45 Q CA 2.075 57.853 55.803 -0.041 0.000 1.328 45 Q CB -1.819 26.900 28.738 -0.030 0.000 1.281 45 Q HN 0.829 nan 8.270 nan 0.000 0.978 46 T N 1.547 116.073 114.554 -0.046 0.000 2.913 46 T HA 0.408 4.754 4.350 -0.006 0.000 0.297 46 T C 0.394 175.064 174.700 -0.050 0.000 1.029 46 T CA -0.569 61.505 62.100 -0.044 0.000 1.104 46 T CB 0.981 69.823 68.868 -0.043 0.000 0.964 46 T HN 0.117 nan 8.240 nan 0.000 0.532 47 R N 1.087 121.560 120.500 -0.046 0.000 2.863 47 R HA 0.511 4.848 4.340 -0.006 0.000 0.273 47 R C 0.867 177.136 176.300 -0.052 0.000 1.057 47 R CA 0.892 56.962 56.100 -0.049 0.000 1.191 47 R CB -0.453 29.821 30.300 -0.043 0.000 1.104 47 R HN 1.100 nan 8.270 nan 0.000 0.519 48 A N -0.289 122.499 122.820 -0.053 0.000 3.682 48 A HA -0.180 4.136 4.320 -0.006 0.000 0.628 48 A C -1.044 176.502 177.584 -0.064 0.000 0.718 48 A CA 0.535 52.540 52.037 -0.054 0.000 0.282 48 A CB -0.786 18.186 19.000 -0.047 0.000 3.621 48 A HN 0.578 nan 8.150 nan 0.000 0.523 49 K N -0.521 119.841 120.400 -0.064 0.000 2.267 49 K HA 0.805 5.121 4.320 -0.006 0.000 0.246 49 K C -0.060 176.491 176.600 -0.082 0.000 0.954 49 K CA -0.534 55.709 56.287 -0.074 0.000 0.824 49 K CB 2.337 34.797 32.500 -0.067 0.000 1.167 49 K HN 0.674 nan 8.250 nan 0.000 0.431 50 I N -0.148 120.357 120.570 -0.108 0.000 2.918 50 I HA 0.209 4.375 4.170 -0.006 0.000 0.316 50 I C 0.979 177.029 176.117 -0.111 0.000 1.001 50 I CA -0.190 61.026 61.300 -0.139 0.000 1.142 50 I CB 1.388 39.250 38.000 -0.230 0.000 1.356 50 I HN 0.853 nan 8.210 nan 0.000 0.524 51 G N 2.891 111.626 108.800 -0.109 0.000 3.318 51 G HA2 0.202 4.158 3.960 -0.006 0.000 0.230 51 G HA3 0.202 4.158 3.960 -0.006 0.000 0.230 51 G C 0.495 175.412 174.900 0.028 0.000 1.317 51 G CA 0.485 45.562 45.100 -0.038 0.000 1.197 51 G HN 0.876 nan 8.290 nan 0.000 0.514 52 G N -0.176 108.631 108.800 0.012 0.000 2.508 52 G HA2 0.387 4.343 3.960 -0.006 0.000 0.217 52 G HA3 0.387 4.343 3.960 -0.006 0.000 0.217 52 G C 0.325 175.274 174.900 0.082 0.000 2.004 52 G CA -0.431 44.781 45.100 0.187 0.000 0.750 52 G HN 0.326 nan 8.290 nan 0.000 0.730 53 L N 1.363 122.608 121.223 0.037 0.000 2.439 53 L HA 0.245 4.581 4.340 -0.006 0.000 0.259 53 L C -0.133 176.715 176.870 -0.037 0.000 1.129 53 L CA -0.721 54.111 54.840 -0.014 0.000 0.803 53 L CB 0.646 42.682 42.059 -0.038 0.000 1.161 53 L HN 0.640 nan 8.230 nan 0.000 0.462 54 N N 1.817 120.488 118.700 -0.048 0.000 2.594 54 N HA -0.280 4.456 4.740 -0.006 0.000 0.331 54 N C -0.378 175.106 175.510 -0.043 0.000 1.147 54 N CA 1.439 54.458 53.050 -0.051 0.000 0.757 54 N CB -0.342 38.104 38.487 -0.068 0.000 1.015 54 N HN 0.873 nan 8.380 nan 0.000 0.574 55 D N -0.699 119.686 120.400 -0.024 0.000 4.260 55 D HA -0.071 4.565 4.640 -0.006 0.000 0.229 55 D C -2.603 173.697 176.300 0.000 0.000 0.393 55 D CA -0.073 53.918 54.000 -0.016 0.000 0.659 55 D CB -1.367 39.413 40.800 -0.033 0.000 1.603 55 D HN 0.492 nan 8.370 nan 0.000 0.170 56 P HA 0.258 nan 4.420 nan 0.000 0.257 56 P C -0.354 176.955 177.300 0.016 0.000 1.269 56 P CA 0.792 63.896 63.100 0.005 0.000 1.122 56 P CB -0.105 31.602 31.700 0.012 0.000 1.285 57 R N -0.553 119.952 120.500 0.009 0.000 4.000 57 R HA -0.198 4.138 4.340 -0.006 0.000 0.362 57 R C 0.321 176.648 176.300 0.045 0.000 1.183 57 R CA 0.589 56.687 56.100 -0.002 0.000 1.011 57 R CB -2.274 28.008 30.300 -0.030 0.000 1.501 57 R HN 0.395 nan 8.270 nan 0.000 0.553 58 L N -0.865 120.414 121.223 0.093 0.000 2.751 58 L HA 0.502 4.838 4.340 -0.006 0.000 0.241 58 L C 1.551 178.504 176.870 0.139 0.000 1.146 58 L CA -0.288 54.656 54.840 0.173 0.000 0.879 58 L CB 0.182 42.281 42.059 0.067 0.000 1.687 58 L HN 0.104 nan 8.230 nan 0.000 0.527 59 G N -0.033 108.781 108.800 0.022 0.000 2.484 59 G HA2 0.163 4.120 3.960 -0.006 0.000 0.235 59 G HA3 0.163 4.120 3.960 -0.006 0.000 0.235 59 G C -0.152 174.739 174.900 -0.016 0.000 1.282 59 G CA -0.150 44.929 45.100 -0.036 0.000 0.857 59 G HN 0.395 nan 8.290 nan 0.000 0.571 60 S N 0.012 115.705 115.700 -0.012 0.000 2.632 60 S HA 0.493 4.959 4.470 -0.006 0.000 0.267 60 S C 1.058 175.640 174.600 -0.030 0.000 1.276 60 S CA -0.896 57.295 58.200 -0.015 0.000 0.998 60 S CB 0.575 63.772 63.200 -0.006 0.000 0.953 60 S HN 0.363 nan 8.310 nan 0.000 0.547 61 I N 1.082 121.633 120.570 -0.032 0.000 3.669 61 I HA 0.222 4.389 4.170 -0.006 0.000 0.255 61 I C 0.557 176.653 176.117 -0.035 0.000 1.144 61 I CA 0.277 61.554 61.300 -0.038 0.000 1.447 61 I CB -1.255 36.716 38.000 -0.048 0.000 1.622 61 I HN 0.534 nan 8.210 nan 0.000 0.435 62 D N 3.019 123.398 120.400 -0.035 0.000 2.934 62 D HA 0.085 4.721 4.640 -0.006 0.000 0.237 62 D C 0.210 176.495 176.300 -0.025 0.000 1.158 62 D CA 0.005 53.986 54.000 -0.033 0.000 0.971 62 D CB -0.496 40.282 40.800 -0.036 0.000 1.123 62 D HN 0.084 nan 8.370 nan 0.000 0.467 63 R N 0.872 121.359 120.500 -0.022 0.000 3.301 63 R HA -0.219 4.117 4.340 -0.006 0.000 0.249 63 R C -0.001 176.290 176.300 -0.015 0.000 0.964 63 R CA 0.338 56.428 56.100 -0.017 0.000 0.653 63 R CB -1.200 29.091 30.300 -0.015 0.000 1.043 63 R HN 0.382 nan 8.270 nan 0.000 0.454 64 N N -0.564 118.127 118.700 -0.015 0.000 2.948 64 N HA 0.469 5.205 4.740 -0.006 0.000 0.323 64 N C 1.386 176.892 175.510 -0.007 0.000 1.374 64 N CA -0.367 52.676 53.050 -0.012 0.000 0.765 64 N CB 0.266 38.744 38.487 -0.015 0.000 1.152 64 N HN 0.031 nan 8.380 nan 0.000 0.528 65 L N -0.203 121.017 121.223 -0.004 0.000 2.688 65 L HA 0.308 4.644 4.340 -0.006 0.000 0.216 65 L C 0.119 176.993 176.870 0.007 0.000 1.036 65 L CA -0.035 54.806 54.840 0.001 0.000 0.906 65 L CB -0.022 42.037 42.059 -0.000 0.000 1.501 65 L HN 0.097 nan 8.230 nan 0.000 0.489 66 K N 1.258 121.659 120.400 0.002 0.000 2.476 66 K HA -0.105 4.211 4.320 -0.006 0.000 0.273 66 K C -0.340 176.273 176.600 0.021 0.000 1.056 66 K CA 0.383 56.672 56.287 0.004 0.000 1.150 66 K CB 0.268 32.765 32.500 -0.004 0.000 0.838 66 K HN 0.284 nan 8.250 nan 0.000 0.486 67 C N 4.232 123.548 119.300 0.028 0.000 2.706 67 C HA 0.062 4.518 4.460 -0.006 0.000 0.265 67 C C -0.311 174.677 174.990 -0.002 0.000 1.413 67 C CA -0.239 58.822 59.018 0.071 0.000 0.938 67 C CB -1.099 26.718 27.740 0.128 0.000 1.889 67 C HN 1.067 nan 8.230 nan 0.000 0.702 68 Q N 1.113 120.890 119.800 -0.037 0.000 2.459 68 Q HA -0.217 4.119 4.340 -0.006 0.000 0.314 68 Q C 0.883 176.848 176.000 -0.060 0.000 1.432 68 Q CA 1.217 56.973 55.803 -0.078 0.000 0.823 68 Q CB -1.025 27.609 28.738 -0.172 0.000 1.124 68 Q HN 1.061 nan 8.270 nan 0.000 0.392 69 T N -3.355 111.181 114.554 -0.030 0.000 10.649 69 T HA -0.431 3.915 4.350 -0.006 0.000 0.405 69 T C 1.352 176.045 174.700 -0.012 0.000 1.545 69 T CA 1.927 64.016 62.100 -0.019 0.000 2.508 69 T CB -2.354 66.501 68.868 -0.021 0.000 2.850 69 T HN 0.902 nan 8.240 nan 0.000 1.062 70 C N 2.170 121.459 119.300 -0.017 0.000 2.392 70 C HA -0.177 4.280 4.460 -0.006 0.000 0.276 70 C C 2.053 177.054 174.990 0.019 0.000 1.212 70 C CA 2.660 61.680 59.018 0.004 0.000 1.791 70 C CB -1.552 26.198 27.740 0.018 0.000 2.063 70 C HN 0.898 nan 8.230 nan 0.000 0.481 71 Q N -1.966 117.847 119.800 0.021 0.000 1.622 71 Q HA -0.370 3.966 4.340 -0.006 0.000 0.329 71 Q C 1.002 177.016 176.000 0.025 0.000 0.810 71 Q CA 2.165 57.980 55.803 0.019 0.000 0.907 71 Q CB -1.393 27.351 28.738 0.011 0.000 3.016 71 Q HN 0.647 nan 8.270 nan 0.000 0.630 72 E N -2.093 118.118 120.200 0.018 0.000 4.876 72 E HA -0.285 4.061 4.350 -0.006 0.000 0.174 72 E C 0.526 177.133 176.600 0.010 0.000 1.304 72 E CA 3.021 59.431 56.400 0.016 0.000 2.277 72 E CB -1.817 27.896 29.700 0.022 0.000 1.860 72 E HN 1.687 nan 8.360 nan 0.000 0.382 73 G N 1.065 109.872 108.800 0.011 0.000 2.929 73 G HA2 -0.130 3.827 3.960 -0.006 0.000 0.335 73 G HA3 -0.130 3.827 3.960 -0.006 0.000 0.335 73 G C 0.707 175.604 174.900 -0.005 0.000 1.054 73 G CA 1.101 46.202 45.100 0.002 0.000 1.067 73 G HN 0.280 nan 8.290 nan 0.000 0.472 74 M N -0.539 119.054 119.600 -0.011 0.000 7.307 74 M HA -0.332 4.144 4.480 -0.006 0.000 0.276 74 M C 1.293 177.580 176.300 -0.022 0.000 0.480 74 M CA 2.484 57.770 55.300 -0.023 0.000 1.309 74 M CB -1.243 31.343 32.600 -0.023 0.000 0.434 74 M HN 0.844 nan 8.290 nan 0.000 0.371 75 N N 1.506 120.196 118.700 -0.016 0.000 2.411 75 N HA 0.010 4.746 4.740 -0.006 0.000 0.265 75 N C 0.546 176.051 175.510 -0.008 0.000 1.266 75 N CA 1.371 54.413 53.050 -0.013 0.000 0.889 75 N CB 0.969 39.449 38.487 -0.011 0.000 1.069 75 N HN 0.514 nan 8.380 nan 0.000 0.476 76 E N 1.690 121.884 120.200 -0.009 0.000 4.216 76 E HA -0.237 4.109 4.350 -0.006 0.000 0.149 76 E C -0.567 176.031 176.600 -0.003 0.000 0.900 76 E CA 1.044 57.441 56.400 -0.004 0.000 2.729 76 E CB -1.691 28.010 29.700 0.002 0.000 1.510 76 E HN 0.584 nan 8.360 nan 0.000 0.639 77 C N 4.155 123.453 119.300 -0.004 0.000 2.657 77 C HA 0.533 4.990 4.460 -0.006 0.000 0.404 77 C C -1.736 173.224 174.990 -0.050 0.000 1.369 77 C CA -0.870 58.146 59.018 -0.002 0.000 1.665 77 C CB -0.597 27.148 27.740 0.008 0.000 2.453 77 C HN 0.394 nan 8.230 nan 0.000 0.599 78 P HA 0.375 nan 4.420 nan 0.000 0.282 78 P C -0.322 176.831 177.300 -0.244 0.000 1.287 78 P CA -0.094 62.956 63.100 -0.083 0.000 0.792 78 P CB 0.448 32.144 31.700 -0.007 0.000 1.163 79 G N 0.097 108.768 108.800 -0.216 0.000 2.475 79 G HA2 0.280 4.236 3.960 -0.006 0.000 0.322 79 G HA3 0.280 4.236 3.960 -0.006 0.000 0.322 79 G C -0.169 174.568 174.900 -0.271 0.000 1.044 79 G CA -0.362 44.525 45.100 -0.357 0.000 1.047 79 G HN 0.528 nan 8.290 nan 0.000 0.436 80 H N 1.873 120.933 119.070 -0.016 0.000 2.582 80 H HA 0.392 4.944 4.556 -0.006 0.000 0.345 80 H C -0.656 174.686 175.328 0.024 0.000 1.104 80 H CA -0.564 55.535 56.048 0.086 0.000 1.390 80 H CB 1.183 30.990 29.762 0.075 0.000 1.461 80 H HN 0.216 nan 8.280 nan 0.000 0.551 81 F N 0.535 120.569 119.950 0.140 0.000 2.348 81 F HA 0.465 4.988 4.527 -0.006 0.000 0.308 81 F C 1.236 177.075 175.800 0.065 0.000 1.175 81 F CA 0.278 58.321 58.000 0.071 0.000 1.080 81 F CB 1.136 40.156 39.000 0.033 0.000 1.341 81 F HN 0.720 nan 8.300 nan 0.000 0.518 82 G N -1.305 107.637 108.800 0.237 0.000 2.574 82 G HA2 0.541 4.497 3.960 -0.006 0.000 0.299 82 G HA3 0.541 4.497 3.960 -0.006 0.000 0.299 82 G C -2.230 172.757 174.900 0.146 0.000 1.298 82 G CA -0.643 44.544 45.100 0.144 0.000 0.952 82 G HN 0.848 nan 8.290 nan 0.000 0.477 83 H N -0.833 118.241 119.070 0.008 0.000 2.538 83 H HA 0.765 5.317 4.556 -0.006 0.000 0.353 83 H C -1.408 173.902 175.328 -0.030 0.000 1.109 83 H CA -1.055 54.976 56.048 -0.029 0.000 1.192 83 H CB 2.077 31.811 29.762 -0.047 0.000 1.555 83 H HN 0.493 nan 8.280 nan 0.000 0.518 84 I N 3.597 124.035 120.570 -0.221 0.000 2.465 84 I HA 0.234 4.400 4.170 -0.006 0.000 0.291 84 I C -0.984 175.063 176.117 -0.117 0.000 1.014 84 I CA -0.861 60.283 61.300 -0.260 0.000 1.093 84 I CB 1.418 39.316 38.000 -0.170 0.000 1.267 84 I HN 0.760 nan 8.210 nan 0.000 0.431 85 D N 7.857 128.186 120.400 -0.118 0.000 2.341 85 D HA 0.395 5.031 4.640 -0.006 0.000 0.245 85 D C -0.544 175.744 176.300 -0.022 0.000 1.106 85 D CA 0.197 54.191 54.000 -0.011 0.000 0.905 85 D CB 1.765 42.569 40.800 0.008 0.000 1.202 85 D HN 0.346 nan 8.370 nan 0.000 0.426 86 L N 1.118 122.344 121.223 0.005 0.000 2.346 86 L HA 0.393 4.729 4.340 -0.006 0.000 0.274 86 L C 1.299 178.174 176.870 0.009 0.000 1.007 86 L CA -0.792 54.049 54.840 0.002 0.000 0.818 86 L CB 1.899 43.964 42.059 0.010 0.000 1.284 86 L HN 0.410 nan 8.230 nan 0.000 0.424 87 A N 2.761 125.585 122.820 0.007 0.000 1.898 87 A HA 0.021 4.337 4.320 -0.006 0.000 0.216 87 A C 0.788 178.381 177.584 0.016 0.000 1.181 87 A CA 1.310 53.355 52.037 0.014 0.000 0.620 87 A CB 0.032 19.040 19.000 0.012 0.000 0.819 87 A HN 0.686 nan 8.150 nan 0.000 0.442 88 K N -0.599 119.809 120.400 0.013 0.000 2.469 88 K HA 0.409 4.725 4.320 -0.006 0.000 0.254 88 K C -3.046 173.547 176.600 -0.010 0.000 0.939 88 K CA -2.376 53.914 56.287 0.006 0.000 0.812 88 K CB 2.184 34.691 32.500 0.012 0.000 1.301 88 K HN -0.015 nan 8.250 nan 0.000 0.433 89 P HA 0.000 nan 4.420 nan 0.000 0.265 89 P C -0.740 176.482 177.300 -0.130 0.000 1.187 89 P CA -0.173 62.881 63.100 -0.077 0.000 0.766 89 P CB 0.569 32.200 31.700 -0.115 0.000 0.820 90 V N 3.781 123.631 119.914 -0.106 0.000 2.656 90 V HA 0.305 4.421 4.120 -0.006 0.000 0.307 90 V C 0.171 176.227 176.094 -0.063 0.000 1.051 90 V CA -0.666 61.593 62.300 -0.068 0.000 0.893 90 V CB 1.244 33.091 31.823 0.041 0.000 0.999 90 V HN 0.349 nan 8.190 nan 0.000 0.426 91 F N 3.559 123.561 119.950 0.086 0.000 2.529 91 F HA 0.182 4.705 4.527 -0.006 0.000 0.365 91 F C 1.024 176.897 175.800 0.122 0.000 1.102 91 F CA 0.208 58.269 58.000 0.101 0.000 1.271 91 F CB 0.252 39.295 39.000 0.073 0.000 1.120 91 F HN 0.536 nan 8.300 nan 0.000 0.579 92 H N 4.013 123.256 119.070 0.289 0.000 2.767 92 H HA 0.105 4.657 4.556 -0.006 0.000 0.316 92 H C 0.884 176.216 175.328 0.007 0.000 1.059 92 H CA -0.312 55.832 56.048 0.160 0.000 1.461 92 H CB 1.268 31.192 29.762 0.271 0.000 1.475 92 H HN 0.571 nan 8.280 nan 0.000 0.531 93 V N 4.787 124.492 119.914 -0.348 0.000 2.282 93 V HA -0.241 3.875 4.120 -0.006 0.000 0.249 93 V C 2.544 178.447 176.094 -0.317 0.000 1.057 93 V CA 2.128 64.258 62.300 -0.283 0.000 1.032 93 V CB -1.040 30.578 31.823 -0.341 0.000 0.645 93 V HN 0.874 nan 8.190 nan 0.000 0.447 94 G N -1.348 107.099 108.800 -0.588 0.000 2.598 94 G HA2 -0.099 3.857 3.960 -0.006 0.000 0.215 94 G HA3 -0.099 3.857 3.960 -0.006 0.000 0.215 94 G C 1.100 175.694 174.900 -0.510 0.000 1.131 94 G CA 0.303 44.877 45.100 -0.877 0.000 0.785 94 G HN 0.513 nan 8.290 nan 0.000 0.539 95 F N -0.417 119.539 119.950 0.011 0.000 2.721 95 F HA 0.386 4.910 4.527 -0.006 0.000 0.301 95 F C 2.032 177.847 175.800 0.025 0.000 1.096 95 F CA -1.514 56.498 58.000 0.020 0.000 1.308 95 F CB -0.091 38.939 39.000 0.052 0.000 1.086 95 F HN -0.026 nan 8.300 nan 0.000 0.587 96 I N 0.947 121.591 120.570 0.123 0.000 2.181 96 I HA -0.389 3.777 4.170 -0.006 0.000 0.247 96 I C 2.584 178.715 176.117 0.023 0.000 1.081 96 I CA 1.753 63.056 61.300 0.006 0.000 1.340 96 I CB -0.670 37.278 38.000 -0.086 0.000 1.036 96 I HN 0.129 nan 8.210 nan 0.000 0.417 97 A N -0.286 122.556 122.820 0.036 0.000 1.858 97 A HA -0.247 4.070 4.320 -0.006 0.000 0.216 97 A C 2.374 180.008 177.584 0.082 0.000 1.190 97 A CA 1.831 53.888 52.037 0.033 0.000 0.617 97 A CB -0.512 18.492 19.000 0.007 0.000 0.827 97 A HN 0.356 nan 8.150 nan 0.000 0.443 98 K N -0.670 119.817 120.400 0.147 0.000 2.097 98 K HA 0.004 4.320 4.320 -0.006 0.000 0.205 98 K C 1.859 178.645 176.600 0.310 0.000 1.050 98 K CA 1.278 57.700 56.287 0.225 0.000 0.938 98 K CB -0.344 32.263 32.500 0.177 0.000 0.718 98 K HN 0.544 nan 8.250 nan 0.000 0.442 99 I N 1.488 122.212 120.570 0.256 0.000 2.208 99 I HA -0.328 3.838 4.170 -0.006 0.000 0.245 99 I C 2.594 178.907 176.117 0.326 0.000 1.097 99 I CA 1.332 62.800 61.300 0.280 0.000 1.363 99 I CB -0.250 37.851 38.000 0.167 0.000 1.051 99 I HN 0.157 nan 8.210 nan 0.000 0.413 100 K N 1.513 122.030 120.400 0.195 0.000 2.057 100 K HA -0.210 4.106 4.320 -0.006 0.000 0.207 100 K C 2.118 178.880 176.600 0.270 0.000 1.049 100 K CA 1.517 57.911 56.287 0.179 0.000 0.931 100 K CB 0.015 32.575 32.500 0.100 0.000 0.714 100 K HN 0.228 nan 8.250 nan 0.000 0.440 101 K N 0.208 120.767 120.400 0.266 0.000 2.097 101 K HA -0.087 4.229 4.320 -0.006 0.000 0.206 101 K C 1.986 178.837 176.600 0.419 0.000 1.049 101 K CA 1.321 57.789 56.287 0.301 0.000 0.933 101 K CB 0.062 32.564 32.500 0.003 0.000 0.717 101 K HN 0.005 nan 8.250 nan 0.000 0.442 102 V N 0.599 120.783 119.914 0.450 0.000 2.453 102 V HA -0.252 3.864 4.120 -0.006 0.000 0.247 102 V C 2.271 178.465 176.094 0.167 0.000 1.048 102 V CA 1.290 63.816 62.300 0.377 0.000 1.049 102 V CB -0.386 31.726 31.823 0.482 0.000 0.672 102 V HN 0.417 nan 8.190 nan 0.000 0.457 103 C N -0.015 119.411 119.300 0.211 0.000 2.419 103 C HA -0.121 4.335 4.460 -0.006 0.000 0.281 103 C C 2.543 177.558 174.990 0.041 0.000 1.336 103 C CA 0.944 60.017 59.018 0.092 0.000 1.770 103 C CB -0.977 26.865 27.740 0.169 0.000 1.929 103 C HN 0.604 nan 8.230 nan 0.000 0.509 104 E N -1.483 118.783 120.200 0.109 0.000 2.442 104 E HA -0.055 4.291 4.350 -0.006 0.000 0.195 104 E C 1.683 178.272 176.600 -0.018 0.000 1.030 104 E CA 0.488 56.900 56.400 0.021 0.000 0.869 104 E CB 0.081 29.794 29.700 0.023 0.000 0.857 104 E HN 0.647 nan 8.360 nan 0.000 0.505 105 C N 0.427 119.757 119.300 0.050 0.000 2.780 105 C HA 0.214 4.670 4.460 -0.006 0.000 0.267 105 C C 0.586 175.556 174.990 -0.033 0.000 1.266 105 C CA -0.335 58.688 59.018 0.010 0.000 1.709 105 C CB 0.252 28.024 27.740 0.054 0.000 1.975 105 C HN -0.038 nan 8.230 nan 0.000 0.582 106 V N 0.317 120.193 119.914 -0.063 0.000 2.577 106 V HA 0.286 4.402 4.120 -0.006 0.000 0.303 106 V C -0.037 175.985 176.094 -0.121 0.000 1.042 106 V CA -0.779 61.452 62.300 -0.114 0.000 0.872 106 V CB 1.253 32.959 31.823 -0.197 0.000 0.998 106 V HN 0.398 nan 8.190 nan 0.000 0.423 107 C N 7.163 126.404 119.300 -0.099 0.000 2.700 107 C HA 0.419 4.875 4.460 -0.006 0.000 0.397 107 C C 0.932 175.846 174.990 -0.127 0.000 1.301 107 C CA -0.383 58.580 59.018 -0.091 0.000 2.219 107 C CB 0.027 27.738 27.740 -0.048 0.000 2.699 107 C HN 0.813 nan 8.230 nan 0.000 0.669 108 M N 3.992 123.484 119.600 -0.179 0.000 1.921 108 M HA 0.298 4.775 4.480 -0.006 0.000 0.243 108 M C 1.395 177.520 176.300 -0.291 0.000 1.280 108 M CA 0.422 55.547 55.300 -0.292 0.000 0.988 108 M CB -0.622 31.728 32.600 -0.417 0.000 1.336 108 M HN 0.975 nan 8.290 nan 0.000 0.496 109 H N -0.694 118.380 119.070 0.008 0.000 4.080 109 H HA -0.257 4.295 4.556 -0.006 0.000 0.083 109 H C 1.796 177.098 175.328 -0.043 0.000 0.599 109 H CA 2.389 58.425 56.048 -0.020 0.000 1.322 109 H CB -2.185 27.576 29.762 -0.001 0.000 1.340 109 H HN 0.868 nan 8.280 nan 0.000 0.865 110 C N 1.485 120.852 119.300 0.112 0.000 2.500 110 C HA 0.505 4.961 4.460 -0.006 0.000 0.279 110 C C 1.804 176.809 174.990 0.025 0.000 1.288 110 C CA 1.323 60.378 59.018 0.063 0.000 1.710 110 C CB -0.883 26.889 27.740 0.053 0.000 2.052 110 C HN 1.615 nan 8.230 nan 0.000 0.488 111 G N 1.400 110.184 108.800 -0.027 0.000 2.623 111 G HA2 -0.072 3.884 3.960 -0.006 0.000 0.281 111 G HA3 -0.072 3.884 3.960 -0.006 0.000 0.281 111 G C -0.599 174.247 174.900 -0.091 0.000 1.087 111 G CA 0.387 45.438 45.100 -0.082 0.000 1.244 111 G HN 0.973 nan 8.290 nan 0.000 0.544 112 K N 0.157 120.504 120.400 -0.088 0.000 2.509 112 K HA 0.654 4.970 4.320 -0.006 0.000 0.266 112 K C 0.631 177.183 176.600 -0.079 0.000 0.987 112 K CA -1.238 54.998 56.287 -0.085 0.000 0.868 112 K CB 1.469 33.939 32.500 -0.051 0.000 1.421 112 K HN 0.225 nan 8.250 nan 0.000 0.444 113 L N 3.776 124.959 121.223 -0.067 0.000 2.514 113 L HA -0.023 4.313 4.340 -0.006 0.000 0.280 113 L C 1.496 178.344 176.870 -0.036 0.000 1.223 113 L CA 0.060 54.873 54.840 -0.045 0.000 0.864 113 L CB 0.236 42.280 42.059 -0.024 0.000 1.118 113 L HN 0.648 nan 8.230 nan 0.000 0.494 114 L N 3.096 124.297 121.223 -0.036 0.000 2.022 114 L HA 0.020 4.356 4.340 -0.006 0.000 0.204 114 L C 0.620 177.475 176.870 -0.025 0.000 1.076 114 L CA 0.931 55.748 54.840 -0.037 0.000 0.749 114 L CB -0.186 41.843 42.059 -0.050 0.000 0.903 114 L HN 0.447 nan 8.230 nan 0.000 0.439 115 L N -0.032 121.180 121.223 -0.017 0.000 2.343 115 L HA 0.308 4.645 4.340 -0.006 0.000 0.275 115 L C -0.626 176.256 176.870 0.021 0.000 1.056 115 L CA -0.359 54.481 54.840 0.000 0.000 0.804 115 L CB 1.415 43.471 42.059 -0.005 0.000 1.203 115 L HN 0.135 nan 8.230 nan 0.000 0.440 116 D N 0.123 120.555 120.400 0.052 0.000 2.846 116 D HA 0.157 4.793 4.640 -0.006 0.000 0.273 116 D C 0.391 176.734 176.300 0.071 0.000 1.145 116 D CA -0.449 53.597 54.000 0.077 0.000 1.091 116 D CB 0.817 41.698 40.800 0.135 0.000 1.364 116 D HN 0.388 nan 8.370 nan 0.000 0.613 117 E N -0.410 119.819 120.200 0.048 0.000 2.338 117 E HA -0.111 4.236 4.350 -0.006 0.000 0.197 117 E C 1.575 178.130 176.600 -0.074 0.000 1.007 117 E CA 0.909 57.288 56.400 -0.035 0.000 0.849 117 E CB -0.066 29.578 29.700 -0.093 0.000 0.774 117 E HN 0.346 nan 8.360 nan 0.000 0.506 118 H N -0.092 118.975 119.070 -0.004 0.000 2.363 118 H HA 0.010 4.562 4.556 -0.006 0.000 0.301 118 H C 0.890 176.214 175.328 -0.006 0.000 1.074 118 H CA 0.721 56.766 56.048 -0.005 0.000 1.354 118 H CB 0.090 29.849 29.762 -0.006 0.000 1.397 118 H HN 0.141 nan 8.280 nan 0.000 0.516 119 N N 1.408 120.176 118.700 0.114 0.000 2.498 119 N HA -0.022 4.714 4.740 -0.006 0.000 0.287 119 N C -0.160 175.367 175.510 0.027 0.000 1.097 119 N CA -0.314 52.769 53.050 0.055 0.000 0.973 119 N CB 1.598 40.107 38.487 0.037 0.000 1.153 119 N HN 0.135 nan 8.380 nan 0.000 0.472 120 E N 2.408 122.617 120.200 0.016 0.000 2.421 120 E HA 0.100 4.447 4.350 -0.006 0.000 0.253 120 E C 1.373 177.975 176.600 0.004 0.000 1.277 120 E CA -0.181 56.223 56.400 0.007 0.000 0.968 120 E CB 0.792 30.494 29.700 0.004 0.000 1.040 120 E HN 0.682 nan 8.360 nan 0.000 0.512 121 L N -1.630 119.595 121.223 0.002 0.000 4.081 121 L HA -0.387 3.949 4.340 -0.006 0.000 0.374 121 L C 1.783 178.655 176.870 0.003 0.000 0.713 121 L CA 1.643 56.484 54.840 0.001 0.000 2.809 121 L CB -1.191 40.865 42.059 -0.005 0.000 0.820 121 L HN 0.461 nan 8.230 nan 0.000 0.697 122 M N 0.004 119.607 119.600 0.005 0.000 2.254 122 M HA -0.073 4.403 4.480 -0.006 0.000 0.265 122 M C 2.063 178.370 176.300 0.012 0.000 1.066 122 M CA 2.081 57.386 55.300 0.009 0.000 1.123 122 M CB -0.353 32.254 32.600 0.012 0.000 1.388 122 M HN 0.228 nan 8.290 nan 0.000 0.425 123 R N -0.328 120.177 120.500 0.008 0.000 2.073 123 R HA -0.171 4.165 4.340 -0.006 0.000 0.234 123 R C 1.994 178.299 176.300 0.009 0.000 1.134 123 R CA 2.028 58.132 56.100 0.006 0.000 0.952 123 R CB -0.337 29.962 30.300 -0.000 0.000 0.850 123 R HN 0.556 nan 8.270 nan 0.000 0.433 124 Q N -0.836 118.970 119.800 0.009 0.000 2.369 124 Q HA -0.029 4.307 4.340 -0.006 0.000 0.206 124 Q C 1.787 177.797 176.000 0.017 0.000 0.963 124 Q CA 0.997 56.807 55.803 0.012 0.000 0.894 124 Q CB 0.241 28.984 28.738 0.010 0.000 0.965 124 Q HN 0.410 nan 8.270 nan 0.000 0.475 125 A N 0.406 123.237 122.820 0.018 0.000 1.903 125 A HA -0.024 4.292 4.320 -0.006 0.000 0.213 125 A C 1.904 179.507 177.584 0.032 0.000 1.185 125 A CA 0.522 52.574 52.037 0.025 0.000 0.628 125 A CB -0.272 18.742 19.000 0.023 0.000 0.830 125 A HN 0.256 nan 8.150 nan 0.000 0.446 126 L N -0.574 120.666 121.223 0.029 0.000 2.291 126 L HA -0.085 4.251 4.340 -0.006 0.000 0.214 126 L C 2.869 179.758 176.870 0.031 0.000 1.120 126 L CA 0.742 55.602 54.840 0.034 0.000 0.799 126 L CB -0.277 41.799 42.059 0.028 0.000 0.925 126 L HN 0.424 nan 8.230 nan 0.000 0.446 127 A N 0.172 123.007 122.820 0.024 0.000 2.014 127 A HA 0.021 4.337 4.320 -0.006 0.000 0.218 127 A C 1.196 178.794 177.584 0.024 0.000 1.163 127 A CA 0.288 52.338 52.037 0.021 0.000 0.652 127 A CB -0.542 18.468 19.000 0.016 0.000 0.808 127 A HN 0.283 nan 8.150 nan 0.000 0.449 128 I N 0.519 121.106 120.570 0.027 0.000 2.598 128 I HA -0.017 4.149 4.170 -0.006 0.000 0.284 128 I C 0.371 176.506 176.117 0.030 0.000 1.140 128 I CA 0.332 61.649 61.300 0.027 0.000 1.420 128 I CB 0.606 38.624 38.000 0.031 0.000 1.387 128 I HN 0.109 nan 8.210 nan 0.000 0.553 129 K N 5.154 125.569 120.400 0.024 0.000 3.141 129 K HA 0.177 4.493 4.320 -0.006 0.000 0.248 129 K C -0.491 176.120 176.600 0.018 0.000 1.282 129 K CA -0.137 56.163 56.287 0.023 0.000 1.251 129 K CB -0.068 32.443 32.500 0.018 0.000 1.533 129 K HN 0.518 nan 8.250 nan 0.000 0.409 130 D N -0.962 119.452 120.400 0.022 0.000 2.433 130 D HA 0.202 4.838 4.640 -0.006 0.000 0.236 130 D C 0.357 176.667 176.300 0.016 0.000 1.026 130 D CA -0.300 53.709 54.000 0.014 0.000 0.884 130 D CB 2.122 42.931 40.800 0.015 0.000 1.384 130 D HN -0.046 nan 8.370 nan 0.000 0.477 131 S N 1.693 117.389 115.700 -0.007 0.000 2.335 131 S HA -0.142 4.324 4.470 -0.006 0.000 0.217 131 S C 1.570 176.151 174.600 -0.031 0.000 1.032 131 S CA 1.163 59.344 58.200 -0.032 0.000 0.985 131 S CB 0.050 63.208 63.200 -0.070 0.000 0.896 131 S HN 0.610 nan 8.310 nan 0.000 0.445 132 K N 0.568 120.950 120.400 -0.030 0.000 2.354 132 K HA 0.309 4.625 4.320 -0.006 0.000 0.194 132 K C 1.660 178.310 176.600 0.083 0.000 1.045 132 K CA 0.232 56.519 56.287 -0.001 0.000 1.026 132 K CB 0.050 32.507 32.500 -0.071 0.000 0.866 132 K HN -0.014 nan 8.250 nan 0.000 0.530 133 K N 2.331 122.762 120.400 0.052 0.000 2.103 133 K HA -0.029 4.288 4.320 -0.006 0.000 0.204 133 K C 2.227 178.872 176.600 0.075 0.000 1.052 133 K CA 1.001 57.321 56.287 0.055 0.000 0.945 133 K CB 0.025 32.544 32.500 0.032 0.000 0.722 133 K HN 0.184 nan 8.250 nan 0.000 0.443 134 R N -0.865 119.687 120.500 0.086 0.000 2.066 134 R HA -0.098 4.238 4.340 -0.006 0.000 0.232 134 R C 2.075 178.452 176.300 0.128 0.000 1.131 134 R CA 1.459 57.615 56.100 0.093 0.000 0.955 134 R CB -0.537 29.815 30.300 0.088 0.000 0.851 134 R HN 0.255 nan 8.270 nan 0.000 0.432 135 F N 1.512 121.470 119.950 0.013 0.000 2.154 135 F HA -0.012 4.511 4.527 -0.006 0.000 0.301 135 F C 0.784 176.611 175.800 0.044 0.000 1.087 135 F CA 1.083 59.097 58.000 0.023 0.000 1.274 135 F CB -0.316 38.657 39.000 -0.045 0.000 1.009 135 F HN 0.080 nan 8.300 nan 0.000 0.485 136 A N 0.857 123.730 122.820 0.088 0.000 2.785 136 A HA 0.515 4.831 4.320 -0.006 0.000 0.294 136 A C 0.550 178.169 177.584 0.058 0.000 1.597 136 A CA 0.138 52.184 52.037 0.015 0.000 1.283 136 A CB -1.810 17.217 19.000 0.044 0.000 1.088 136 A HN 1.439 nan 8.150 nan 0.000 0.568 137 A N 3.623 126.497 122.820 0.090 0.000 1.677 137 A HA -0.040 4.277 4.320 -0.006 0.000 0.219 137 A C 0.919 178.528 177.584 0.042 0.000 1.295 137 A CA -0.062 52.033 52.037 0.097 0.000 0.647 137 A CB -2.442 16.623 19.000 0.108 0.000 1.201 137 A HN 1.871 nan 8.150 nan 0.000 0.214 138 I N 0.988 121.570 120.570 0.020 0.000 4.904 138 I HA -0.524 3.642 4.170 -0.006 0.000 0.039 138 I C 2.204 178.337 176.117 0.027 0.000 0.635 138 I CA 2.754 64.054 61.300 -0.000 0.000 0.230 138 I CB -2.268 35.705 38.000 -0.046 0.000 0.331 138 I HN 1.716 nan 8.210 nan 0.000 0.152 139 W N 1.470 122.634 121.300 -0.226 0.000 2.244 139 W HA -0.500 4.156 4.660 -0.006 0.000 0.352 139 W C 2.671 179.120 176.519 -0.117 0.000 1.753 139 W CA 4.424 61.648 57.345 -0.203 0.000 1.883 139 W CB -1.257 28.072 29.460 -0.219 0.000 0.927 139 W HN 0.758 nan 8.180 nan 0.000 0.467 140 T N -0.473 113.953 114.554 -0.213 0.000 2.867 140 T HA -0.129 4.217 4.350 -0.006 0.000 0.268 140 T C 1.772 176.334 174.700 -0.230 0.000 1.057 140 T CA 1.831 63.742 62.100 -0.315 0.000 1.136 140 T CB -0.911 67.896 68.868 -0.102 0.000 0.874 140 T HN 0.376 nan 8.240 nan 0.000 0.466 141 L N -0.093 121.046 121.223 -0.140 0.000 2.599 141 L HA 0.254 4.590 4.340 -0.006 0.000 0.230 141 L C 1.525 178.318 176.870 -0.128 0.000 1.141 141 L CA -0.103 54.673 54.840 -0.107 0.000 0.877 141 L CB -0.164 41.862 42.059 -0.056 0.000 1.009 141 L HN 0.412 nan 8.230 nan 0.000 0.447 142 C N -1.532 117.652 119.300 -0.193 0.000 3.491 142 C HA 0.085 4.541 4.460 -0.006 0.000 0.298 142 C C 2.109 176.920 174.990 -0.299 0.000 1.424 142 C CA -0.462 58.440 59.018 -0.193 0.000 1.772 142 C CB -0.020 27.637 27.740 -0.139 0.000 2.447 142 C HN 0.362 nan 8.230 nan 0.000 0.670 143 K N 1.094 121.244 120.400 -0.417 0.000 2.367 143 K HA 0.022 4.338 4.320 -0.006 0.000 0.194 143 K C 1.482 177.900 176.600 -0.303 0.000 1.027 143 K CA 0.453 56.442 56.287 -0.497 0.000 1.075 143 K CB 0.189 32.206 32.500 -0.804 0.000 0.845 143 K HN 0.411 nan 8.250 nan 0.000 0.529 144 T N 1.024 115.445 114.554 -0.223 0.000 2.555 144 T HA -0.194 4.152 4.350 -0.006 0.000 0.264 144 T C 1.531 176.153 174.700 -0.130 0.000 1.083 144 T CA 1.865 63.874 62.100 -0.152 0.000 1.179 144 T CB -0.047 68.753 68.868 -0.113 0.000 0.863 144 T HN 0.166 nan 8.240 nan 0.000 0.412 145 K N -1.275 119.055 120.400 -0.116 0.000 3.098 145 K HA 0.358 4.674 4.320 -0.006 0.000 0.258 145 K C -0.734 175.821 176.600 -0.076 0.000 2.409 145 K CA 0.151 56.375 56.287 -0.105 0.000 1.470 145 K CB -0.087 32.333 32.500 -0.134 0.000 2.673 145 K HN 0.312 nan 8.250 nan 0.000 0.463 146 M N -0.012 119.541 119.600 -0.077 0.000 7.319 146 M HA -0.212 4.265 4.480 -0.006 0.000 0.157 146 M C -0.658 175.627 176.300 -0.024 0.000 0.480 146 M CA 0.869 56.141 55.300 -0.047 0.000 1.311 146 M CB -0.966 31.615 32.600 -0.031 0.000 0.421 146 M HN 0.216 nan 8.290 nan 0.000 0.190 147 V N -1.354 118.564 119.914 0.007 0.000 3.625 147 V HA -0.227 3.889 4.120 -0.006 0.000 0.501 147 V C 0.308 176.406 176.094 0.006 0.000 0.682 147 V CA 0.738 63.050 62.300 0.019 0.000 2.035 147 V CB -0.980 30.850 31.823 0.011 0.000 2.457 147 V HN 1.149 nan 8.190 nan 0.000 0.508 148 C N 7.745 127.057 119.300 0.021 0.000 2.423 148 C HA 0.341 4.797 4.460 -0.006 0.000 0.378 148 C C 1.237 176.227 174.990 0.001 0.000 1.068 148 C CA -0.165 58.858 59.018 0.008 0.000 1.371 148 C CB -1.419 26.336 27.740 0.025 0.000 1.856 148 C HN 0.962 nan 8.230 nan 0.000 0.523 149 E N 3.559 123.751 120.200 -0.014 0.000 2.413 149 E HA 0.071 4.418 4.350 -0.006 0.000 0.263 149 E C 0.489 177.070 176.600 -0.032 0.000 1.015 149 E CA -0.014 56.372 56.400 -0.023 0.000 0.916 149 E CB 0.737 30.419 29.700 -0.031 0.000 0.947 149 E HN 0.631 nan 8.360 nan 0.000 0.440 150 T N 1.581 116.116 114.554 -0.031 0.000 2.939 150 T HA -0.036 4.310 4.350 -0.006 0.000 0.254 150 T C 0.030 174.695 174.700 -0.059 0.000 1.041 150 T CA 0.971 63.049 62.100 -0.037 0.000 1.142 150 T CB -0.031 68.822 68.868 -0.026 0.000 0.874 150 T HN 0.724 nan 8.240 nan 0.000 0.452 151 D N 1.118 121.482 120.400 -0.060 0.000 2.947 151 D HA 0.493 5.129 4.640 -0.006 0.000 0.224 151 D C -0.935 175.322 176.300 -0.071 0.000 1.230 151 D CA -0.726 53.227 54.000 -0.077 0.000 0.871 151 D CB 2.427 43.194 40.800 -0.057 0.000 1.671 151 D HN 0.233 nan 8.370 nan 0.000 0.507 152 V N -2.804 117.052 119.914 -0.096 0.000 3.130 152 V HA 0.705 4.821 4.120 -0.006 0.000 0.310 152 V C -2.880 173.187 176.094 -0.044 0.000 1.158 152 V CA -2.304 59.958 62.300 -0.063 0.000 1.029 152 V CB 1.841 33.629 31.823 -0.059 0.000 1.057 152 V HN 0.422 nan 8.190 nan 0.000 0.436 153 P HA 0.198 nan 4.420 nan 0.000 0.269 153 P C 0.057 177.392 177.300 0.058 0.000 1.209 153 P CA 0.354 63.464 63.100 0.016 0.000 0.776 153 P CB 0.935 32.644 31.700 0.014 0.000 0.876 154 S N 1.210 116.957 115.700 0.079 0.000 2.495 154 S HA 0.202 4.668 4.470 -0.006 0.000 0.273 154 S C 0.709 175.351 174.600 0.070 0.000 1.156 154 S CA -0.605 57.675 58.200 0.133 0.000 1.032 154 S CB -0.059 63.218 63.200 0.128 0.000 1.160 154 S HN 0.423 nan 8.310 nan 0.000 0.489 155 E N 1.401 121.627 120.200 0.043 0.000 2.330 155 E HA 0.174 4.520 4.350 -0.006 0.000 0.210 155 E C -0.525 176.083 176.600 0.013 0.000 1.256 155 E CA -0.005 56.404 56.400 0.015 0.000 1.346 155 E CB -0.205 29.490 29.700 -0.008 0.000 1.308 155 E HN 0.403 nan 8.360 nan 0.000 0.441 156 D N -0.114 120.298 120.400 0.019 0.000 3.035 156 D HA 0.139 4.776 4.640 -0.006 0.000 0.248 156 D C -0.448 175.860 176.300 0.012 0.000 1.260 156 D CA -0.567 53.441 54.000 0.014 0.000 1.058 156 D CB 0.333 41.142 40.800 0.015 0.000 1.262 156 D HN -0.131 nan 8.370 nan 0.000 0.633 157 D N 1.253 121.659 120.400 0.010 0.000 2.390 157 D HA 0.246 4.883 4.640 -0.006 0.000 0.249 157 D C -2.132 174.174 176.300 0.009 0.000 1.144 157 D CA -0.899 53.105 54.000 0.008 0.000 0.880 157 D CB 0.559 41.363 40.800 0.006 0.000 1.182 157 D HN -0.145 nan 8.370 nan 0.000 0.451 158 P HA 0.108 nan 4.420 nan 0.000 0.244 158 P C -0.196 177.106 177.300 0.003 0.000 1.723 158 P CA 0.165 63.268 63.100 0.006 0.000 1.110 158 P CB 0.302 32.004 31.700 0.004 0.000 1.972 159 T N -1.379 113.178 114.554 0.004 0.000 3.336 159 T HA 0.054 4.400 4.350 -0.006 0.000 0.273 159 T C 0.288 174.989 174.700 0.001 0.000 0.932 159 T CA 0.017 62.118 62.100 0.001 0.000 0.995 159 T CB 0.012 68.881 68.868 0.002 0.000 1.213 159 T HN 0.102 nan 8.240 nan 0.000 0.502 160 Q N 2.003 121.805 119.800 0.004 0.000 2.490 160 Q HA 0.526 4.862 4.340 -0.006 0.000 0.226 160 Q C -1.314 174.688 176.000 0.004 0.000 1.132 160 Q CA -0.025 55.780 55.803 0.004 0.000 0.928 160 Q CB 0.193 28.935 28.738 0.008 0.000 1.299 160 Q HN 0.272 nan 8.270 nan 0.000 0.528 161 L N 2.760 123.981 121.223 -0.004 0.000 2.342 161 L HA 0.215 4.551 4.340 -0.006 0.000 0.285 161 L C -0.478 176.379 176.870 -0.022 0.000 1.095 161 L CA -0.134 54.698 54.840 -0.014 0.000 0.843 161 L CB 0.523 42.570 42.059 -0.020 0.000 1.201 161 L HN 0.290 nan 8.230 nan 0.000 0.445 162 V N 2.075 121.974 119.914 -0.025 0.000 2.546 162 V HA 0.425 4.541 4.120 -0.006 0.000 0.284 162 V C 0.568 176.607 176.094 -0.093 0.000 1.050 162 V CA -0.669 61.612 62.300 -0.031 0.000 0.981 162 V CB 1.432 33.266 31.823 0.019 0.000 0.990 162 V HN 0.866 nan 8.190 nan 0.000 0.474 163 S N 5.053 120.711 115.700 -0.070 0.000 2.616 163 S HA 0.598 5.064 4.470 -0.006 0.000 0.277 163 S C 0.332 174.872 174.600 -0.100 0.000 1.234 163 S CA -0.695 57.453 58.200 -0.086 0.000 1.028 163 S CB 1.850 65.021 63.200 -0.047 0.000 0.988 163 S HN 0.842 nan 8.310 nan 0.000 0.522 164 R N 2.211 122.644 120.500 -0.112 0.000 2.081 164 R HA 0.552 4.888 4.340 -0.006 0.000 0.158 164 R C 1.171 177.448 176.300 -0.038 0.000 1.886 164 R CA -0.072 55.980 56.100 -0.080 0.000 1.479 164 R CB -0.746 29.478 30.300 -0.126 0.000 1.254 164 R HN 0.627 nan 8.270 nan 0.000 0.475 165 G N -0.257 108.519 108.800 -0.039 0.000 2.695 165 G HA2 0.555 4.511 3.960 -0.006 0.000 0.213 165 G HA3 0.555 4.511 3.960 -0.006 0.000 0.213 165 G C -0.478 174.411 174.900 -0.018 0.000 1.406 165 G CA -0.270 44.817 45.100 -0.021 0.000 1.049 165 G HN 0.511 nan 8.290 nan 0.000 0.573 166 G N -2.928 105.868 108.800 -0.008 0.000 3.058 166 G HA2 0.448 4.404 3.960 -0.006 0.000 0.282 166 G HA3 0.448 4.404 3.960 -0.006 0.000 0.282 166 G C -0.232 174.672 174.900 0.008 0.000 1.248 166 G CA 0.197 45.294 45.100 -0.003 0.000 0.822 166 G HN 1.746 nan 8.290 nan 0.000 0.579 167 C N 0.029 119.336 119.300 0.012 0.000 2.446 167 C HA -0.019 4.438 4.460 -0.006 0.000 0.260 167 C C 1.395 176.407 174.990 0.036 0.000 0.988 167 C CA 0.080 59.115 59.018 0.027 0.000 2.824 167 C CB -1.552 26.223 27.740 0.059 0.000 1.663 167 C HN 1.771 nan 8.230 nan 0.000 0.369 168 G N 5.665 114.477 108.800 0.021 0.000 3.452 168 G HA2 0.173 4.130 3.960 -0.006 0.000 0.258 168 G HA3 0.173 4.130 3.960 -0.006 0.000 0.258 168 G C 0.365 175.291 174.900 0.043 0.000 1.305 168 G CA -0.076 45.037 45.100 0.023 0.000 1.514 168 G HN 0.897 nan 8.290 nan 0.000 0.593 169 N N 0.364 119.115 118.700 0.085 0.000 2.513 169 N HA 0.187 4.923 4.740 -0.006 0.000 0.274 169 N C -0.155 175.447 175.510 0.153 0.000 1.189 169 N CA 0.079 53.211 53.050 0.137 0.000 0.975 169 N CB 0.952 39.604 38.487 0.275 0.000 1.157 169 N HN 0.019 nan 8.380 nan 0.000 0.465 170 T N 1.836 116.506 114.554 0.193 0.000 2.869 170 T HA 0.118 4.464 4.350 -0.006 0.000 0.295 170 T C 0.196 175.070 174.700 0.290 0.000 0.987 170 T CA -0.417 61.808 62.100 0.209 0.000 1.109 170 T CB 0.957 69.963 68.868 0.230 0.000 0.932 170 T HN 0.330 nan 8.240 nan 0.000 0.518 171 Q N 3.351 123.218 119.800 0.111 0.000 2.288 171 Q HA 0.280 4.617 4.340 -0.006 0.000 0.254 171 Q C -2.177 173.688 176.000 -0.225 0.000 0.932 171 Q CA -1.876 53.917 55.803 -0.015 0.000 0.902 171 Q CB 0.657 29.355 28.738 -0.068 0.000 1.203 171 Q HN 0.408 nan 8.270 nan 0.000 0.415 172 P HA 0.036 nan 4.420 nan 0.000 0.282 172 P C -0.788 176.238 177.300 -0.456 0.000 1.249 172 P CA -0.411 62.155 63.100 -0.889 0.000 0.806 172 P CB 0.841 31.572 31.700 -1.615 0.000 0.984 173 T N 0.447 114.790 114.554 -0.351 0.000 2.728 173 T HA 0.566 4.912 4.350 -0.006 0.000 0.296 173 T C 0.344 174.927 174.700 -0.196 0.000 0.940 173 T CA -0.597 61.372 62.100 -0.219 0.000 1.013 173 T CB -0.390 68.385 68.868 -0.155 0.000 0.912 173 T HN 0.186 nan 8.240 nan 0.000 0.484 174 I N 4.135 124.619 120.570 -0.143 0.000 2.359 174 I HA 0.511 4.677 4.170 -0.006 0.000 0.294 174 I C 0.797 176.890 176.117 -0.040 0.000 0.987 174 I CA -1.109 60.133 61.300 -0.098 0.000 1.225 174 I CB 1.241 39.200 38.000 -0.069 0.000 1.366 174 I HN 0.694 nan 8.210 nan 0.000 0.466 175 R N 4.730 125.208 120.500 -0.037 0.000 2.902 175 R HA 0.583 4.920 4.340 -0.006 0.000 0.258 175 R C -0.897 175.396 176.300 -0.013 0.000 1.071 175 R CA -1.108 54.984 56.100 -0.013 0.000 1.024 175 R CB 1.554 31.844 30.300 -0.016 0.000 1.184 175 R HN 0.432 nan 8.270 nan 0.000 0.492 176 K N 0.868 121.264 120.400 -0.006 0.000 2.201 176 K HA 0.063 4.379 4.320 -0.006 0.000 0.278 176 K C -1.143 175.447 176.600 -0.017 0.000 1.027 176 K CA -0.264 56.013 56.287 -0.018 0.000 0.909 176 K CB 0.814 33.307 32.500 -0.012 0.000 1.062 176 K HN 0.640 nan 8.250 nan 0.000 0.465 177 D N 3.746 124.131 120.400 -0.024 0.000 2.363 177 D HA 0.188 4.824 4.640 -0.006 0.000 0.258 177 D C 0.622 176.917 176.300 -0.008 0.000 1.259 177 D CA 0.441 54.435 54.000 -0.011 0.000 0.921 177 D CB 0.788 41.585 40.800 -0.005 0.000 1.201 177 D HN 0.889 nan 8.370 nan 0.000 0.524 178 G N 3.251 112.049 108.800 -0.003 0.000 3.581 178 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.336 178 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.336 178 G C 0.780 175.679 174.900 -0.002 0.000 1.259 178 G CA 0.904 46.010 45.100 0.010 0.000 1.001 178 G HN 0.514 nan 8.290 nan 0.000 0.662 179 L N 0.430 121.660 121.223 0.012 0.000 3.086 179 L HA 0.425 4.761 4.340 -0.006 0.000 0.274 179 L C 0.882 177.739 176.870 -0.023 0.000 1.184 179 L CA -0.032 54.813 54.840 0.008 0.000 1.002 179 L CB 0.673 42.782 42.059 0.084 0.000 1.383 179 L HN 0.206 nan 8.230 nan 0.000 0.582 180 K N 0.612 121.000 120.400 -0.020 0.000 2.352 180 K HA 0.711 5.027 4.320 -0.006 0.000 0.240 180 K C -1.112 175.451 176.600 -0.062 0.000 1.017 180 K CA -0.796 55.483 56.287 -0.014 0.000 0.851 180 K CB 2.725 35.264 32.500 0.065 0.000 1.261 180 K HN -0.122 nan 8.250 nan 0.000 0.451 181 L N 1.492 122.690 121.223 -0.041 0.000 2.322 181 L HA 0.501 4.838 4.340 -0.006 0.000 0.281 181 L C -0.882 175.990 176.870 0.004 0.000 1.014 181 L CA -1.128 53.688 54.840 -0.039 0.000 0.815 181 L CB 1.839 43.868 42.059 -0.051 0.000 1.247 181 L HN 0.214 nan 8.230 nan 0.000 0.421 182 V N 1.570 121.474 119.914 -0.017 0.000 2.448 182 V HA 0.669 4.785 4.120 -0.006 0.000 0.295 182 V C 0.326 176.375 176.094 -0.076 0.000 1.025 182 V CA -0.515 61.776 62.300 -0.016 0.000 0.859 182 V CB 1.674 33.493 31.823 -0.006 0.000 0.988 182 V HN 0.862 nan 8.190 nan 0.000 0.431 183 G N 2.480 111.206 108.800 -0.124 0.000 2.487 183 G HA2 0.575 4.531 3.960 -0.006 0.000 0.314 183 G HA3 0.575 4.531 3.960 -0.006 0.000 0.314 183 G C -0.241 174.445 174.900 -0.357 0.000 1.267 183 G CA -0.432 44.456 45.100 -0.353 0.000 0.937 183 G HN 0.812 nan 8.290 nan 0.000 0.481 184 S N 2.314 117.829 115.700 -0.309 0.000 2.429 184 S HA 0.530 4.996 4.470 -0.006 0.000 0.302 184 S C -0.331 174.156 174.600 -0.189 0.000 1.115 184 S CA -0.916 57.203 58.200 -0.135 0.000 1.095 184 S CB 1.292 64.454 63.200 -0.063 0.000 0.987 184 S HN 0.562 nan 8.310 nan 0.000 0.474 185 W N 1.950 123.251 121.300 0.003 0.000 2.390 185 W HA 0.466 5.122 4.660 -0.006 0.000 0.362 185 W C 0.538 177.056 176.519 -0.001 0.000 1.206 185 W CA -0.781 56.566 57.345 0.003 0.000 1.355 185 W CB 1.486 30.953 29.460 0.013 0.000 1.278 185 W HN 0.576 nan 8.180 nan 0.000 0.653 186 K N 0.732 121.291 120.400 0.265 0.000 2.760 186 K HA 0.330 4.646 4.320 -0.006 0.000 0.285 186 K C -0.071 176.600 176.600 0.119 0.000 1.016 186 K CA -0.218 56.152 56.287 0.139 0.000 1.087 186 K CB 0.159 32.716 32.500 0.095 0.000 1.427 186 K HN 0.243 nan 8.250 nan 0.000 0.524 187 K N -0.562 119.880 120.400 0.071 0.000 1.004 187 K HA -0.171 4.145 4.320 -0.006 0.000 0.819 187 K C -1.313 175.309 176.600 0.037 0.000 2.144 187 K CA 1.084 57.398 56.287 0.045 0.000 1.464 187 K CB -0.557 31.966 32.500 0.038 0.000 2.730 187 K HN 0.673 nan 8.250 nan 0.000 0.209 188 D N 1.721 122.134 120.400 0.021 0.000 2.622 188 D HA 0.227 4.863 4.640 -0.006 0.000 0.262 188 D C -0.392 175.912 176.300 0.008 0.000 1.189 188 D CA -0.054 53.953 54.000 0.011 0.000 0.985 188 D CB 0.312 41.112 40.800 0.001 0.000 0.994 188 D HN 0.401 nan 8.370 nan 0.000 0.513 189 R N 1.266 121.772 120.500 0.011 0.000 3.627 189 R HA -0.270 4.066 4.340 -0.006 0.000 0.281 189 R C 0.416 176.718 176.300 0.004 0.000 1.140 189 R CA 0.536 56.639 56.100 0.007 0.000 0.761 189 R CB -1.866 28.436 30.300 0.003 0.000 1.181 189 R HN 0.522 nan 8.270 nan 0.000 0.472 190 A N -1.626 121.197 122.820 0.006 0.000 2.799 190 A HA -0.294 4.022 4.320 -0.006 0.000 0.287 190 A C 1.188 178.773 177.584 0.002 0.000 1.484 190 A CA 2.187 54.227 52.037 0.004 0.000 0.813 190 A CB -1.587 17.415 19.000 0.003 0.000 1.009 190 A HN 0.712 nan 8.150 nan 0.000 0.545 191 T N -2.556 111.999 114.554 0.001 0.000 3.336 191 T HA 0.415 4.761 4.350 -0.006 0.000 0.273 191 T C 1.039 175.738 174.700 -0.002 0.000 0.932 191 T CA 1.444 63.543 62.100 -0.001 0.000 0.995 191 T CB -0.248 68.618 68.868 -0.003 0.000 1.213 191 T HN 1.771 nan 8.240 nan 0.000 0.502 192 G N 1.908 110.707 108.800 -0.003 0.000 2.364 192 G HA2 0.483 4.439 3.960 -0.006 0.000 0.267 192 G HA3 0.483 4.439 3.960 -0.006 0.000 0.267 192 G C -0.270 174.630 174.900 -0.001 0.000 1.233 192 G CA 0.337 45.434 45.100 -0.005 0.000 0.885 192 G HN 0.524 nan 8.290 nan 0.000 0.490 193 D N 1.304 121.703 120.400 -0.003 0.000 4.089 193 D HA -0.314 4.322 4.640 -0.006 0.000 0.141 193 D C 1.289 177.590 176.300 0.001 0.000 0.858 193 D CA 2.126 56.127 54.000 0.000 0.000 1.094 193 D CB -1.120 39.682 40.800 0.004 0.000 0.550 193 D HN 1.127 nan 8.370 nan 0.000 0.562 194 A N -0.457 122.365 122.820 0.004 0.000 1.626 194 A HA 0.282 4.598 4.320 -0.006 0.000 0.201 194 A C 0.685 178.273 177.584 0.006 0.000 1.920 194 A CA 1.470 53.510 52.037 0.004 0.000 1.499 194 A CB 0.364 19.366 19.000 0.003 0.000 1.498 194 A HN 0.518 nan 8.150 nan 0.000 0.333 195 D N -1.392 119.013 120.400 0.008 0.000 2.181 195 D HA 0.111 4.748 4.640 -0.006 0.000 0.282 195 D C 0.136 176.445 176.300 0.014 0.000 1.244 195 D CA 0.082 54.088 54.000 0.010 0.000 1.190 195 D CB -0.355 40.450 40.800 0.007 0.000 1.845 195 D HN 0.114 nan 8.370 nan 0.000 0.485 196 E N 2.316 122.525 120.200 0.017 0.000 2.366 196 E HA 0.301 4.648 4.350 -0.006 0.000 0.266 196 E C -1.693 174.928 176.600 0.034 0.000 1.051 196 E CA -1.147 55.266 56.400 0.022 0.000 0.884 196 E CB 0.597 30.309 29.700 0.021 0.000 1.006 196 E HN 0.278 nan 8.360 nan 0.000 0.417 197 P HA 0.167 nan 4.420 nan 0.000 0.302 197 P C -0.812 176.541 177.300 0.089 0.000 1.301 197 P CA -0.240 62.902 63.100 0.070 0.000 0.745 197 P CB 0.671 32.409 31.700 0.063 0.000 1.331 198 E N -0.782 119.506 120.200 0.147 0.000 2.210 198 E HA 0.540 4.887 4.350 -0.006 0.000 0.266 198 E C -0.937 175.796 176.600 0.222 0.000 0.883 198 E CA -0.494 56.011 56.400 0.175 0.000 0.761 198 E CB 1.421 31.241 29.700 0.201 0.000 1.156 198 E HN 0.241 nan 8.360 nan 0.000 0.412 199 L N 3.430 124.748 121.223 0.159 0.000 2.343 199 L HA 0.587 4.923 4.340 -0.006 0.000 0.278 199 L C -0.221 176.738 176.870 0.148 0.000 0.996 199 L CA -0.468 54.456 54.840 0.140 0.000 0.831 199 L CB 1.193 43.296 42.059 0.073 0.000 1.232 199 L HN 0.347 nan 8.230 nan 0.000 0.413 200 R N 1.834 122.455 120.500 0.203 0.000 2.774 200 R HA 0.635 4.972 4.340 -0.006 0.000 0.272 200 R C -1.341 175.049 176.300 0.150 0.000 1.000 200 R CA -0.968 55.239 56.100 0.178 0.000 0.906 200 R CB 2.960 33.405 30.300 0.242 0.000 1.227 200 R HN 0.222 nan 8.270 nan 0.000 0.468 201 V N 3.417 123.394 119.914 0.106 0.000 2.461 201 V HA 0.223 4.339 4.120 -0.006 0.000 0.275 201 V C 0.296 176.471 176.094 0.136 0.000 1.047 201 V CA -0.490 61.869 62.300 0.098 0.000 0.955 201 V CB 1.032 32.897 31.823 0.071 0.000 0.988 201 V HN 0.497 nan 8.190 nan 0.000 0.471 202 L N 5.662 126.970 121.223 0.142 0.000 2.363 202 L HA 0.233 4.569 4.340 -0.006 0.000 0.286 202 L C 0.911 177.912 176.870 0.219 0.000 1.106 202 L CA 0.121 55.069 54.840 0.181 0.000 0.859 202 L CB 0.596 42.752 42.059 0.162 0.000 1.223 202 L HN 0.862 nan 8.230 nan 0.000 0.446 203 S N 0.527 116.343 115.700 0.195 0.000 2.576 203 S HA 0.113 4.580 4.470 -0.006 0.000 0.276 203 S C 1.242 175.949 174.600 0.177 0.000 1.339 203 S CA -0.612 57.697 58.200 0.182 0.000 1.039 203 S CB 1.282 64.565 63.200 0.138 0.000 0.902 203 S HN 0.624 nan 8.310 nan 0.000 0.516 204 T N 2.305 116.919 114.554 0.100 0.000 2.759 204 T HA -0.124 4.222 4.350 -0.006 0.000 0.269 204 T C 1.381 176.026 174.700 -0.091 0.000 1.042 204 T CA 1.937 63.941 62.100 -0.160 0.000 1.140 204 T CB -0.497 68.100 68.868 -0.452 0.000 0.864 204 T HN 0.790 nan 8.240 nan 0.000 0.455 205 E N 1.349 121.541 120.200 -0.013 0.000 2.077 205 E HA -0.109 4.237 4.350 -0.006 0.000 0.193 205 E C 2.185 178.817 176.600 0.054 0.000 0.989 205 E CA 0.990 57.400 56.400 0.015 0.000 0.800 205 E CB -0.258 29.460 29.700 0.031 0.000 0.746 205 E HN 0.629 nan 8.360 nan 0.000 0.452 206 E N 0.642 120.893 120.200 0.084 0.000 2.051 206 E HA -0.196 4.151 4.350 -0.006 0.000 0.192 206 E C 1.915 178.598 176.600 0.138 0.000 0.991 206 E CA 0.972 57.436 56.400 0.106 0.000 0.799 206 E CB 0.040 29.819 29.700 0.130 0.000 0.748 206 E HN 0.135 nan 8.360 nan 0.000 0.449 207 I N 1.581 122.261 120.570 0.183 0.000 2.127 207 I HA -0.279 3.887 4.170 -0.006 0.000 0.241 207 I C 2.762 179.084 176.117 0.342 0.000 1.075 207 I CA 0.996 62.474 61.300 0.296 0.000 1.334 207 I CB -1.214 37.011 38.000 0.376 0.000 1.040 207 I HN 0.315 nan 8.210 nan 0.000 0.405 208 L N 0.882 122.194 121.223 0.147 0.000 2.079 208 L HA -0.259 4.078 4.340 -0.006 0.000 0.210 208 L C 2.409 179.394 176.870 0.192 0.000 1.081 208 L CA 1.674 56.584 54.840 0.117 0.000 0.752 208 L CB -0.505 41.558 42.059 0.006 0.000 0.896 208 L HN 0.351 nan 8.230 nan 0.000 0.433 209 N N 0.172 118.952 118.700 0.134 0.000 2.149 209 N HA -0.229 4.508 4.740 -0.006 0.000 0.188 209 N C 1.866 177.394 175.510 0.030 0.000 1.019 209 N CA 1.875 54.970 53.050 0.075 0.000 0.857 209 N CB -0.117 38.373 38.487 0.005 0.000 0.997 209 N HN 0.448 nan 8.380 nan 0.000 0.426 210 I N -0.259 120.347 120.570 0.060 0.000 2.353 210 I HA -0.176 3.990 4.170 -0.006 0.000 0.248 210 I C 1.618 177.735 176.117 0.000 0.000 1.119 210 I CA 0.749 62.035 61.300 -0.023 0.000 1.417 210 I CB -0.326 37.637 38.000 -0.061 0.000 1.078 210 I HN 0.029 nan 8.210 nan 0.000 0.421 211 F N 1.102 121.064 119.950 0.020 0.000 2.234 211 F HA -0.135 4.389 4.527 -0.006 0.000 0.299 211 F C 2.397 178.218 175.800 0.036 0.000 1.087 211 F CA 1.324 59.325 58.000 0.001 0.000 1.340 211 F CB -0.200 38.790 39.000 -0.016 0.000 1.031 211 F HN -0.114 nan 8.300 nan 0.000 0.500 212 K N -1.017 119.546 120.400 0.271 0.000 2.487 212 K HA -0.075 4.241 4.320 -0.006 0.000 0.192 212 K C 0.593 177.324 176.600 0.218 0.000 1.027 212 K CA 0.568 56.992 56.287 0.229 0.000 1.054 212 K CB -0.050 32.582 32.500 0.219 0.000 0.824 212 K HN 0.274 nan 8.250 nan 0.000 0.510 213 H N -0.715 118.358 119.070 0.004 0.000 2.652 213 H HA 0.241 4.794 4.556 -0.006 0.000 0.274 213 H C -0.323 174.926 175.328 -0.132 0.000 1.021 213 H CA -0.253 55.772 56.048 -0.039 0.000 1.187 213 H CB 0.324 30.072 29.762 -0.024 0.000 1.505 213 H HN 0.004 nan 8.280 nan 0.000 0.530 214 I N 0.869 121.355 120.570 -0.139 0.000 2.618 214 I HA -0.046 4.120 4.170 -0.006 0.000 0.284 214 I C 0.949 176.703 176.117 -0.606 0.000 1.146 214 I CA -0.046 61.011 61.300 -0.404 0.000 1.425 214 I CB 0.735 38.395 38.000 -0.568 0.000 1.383 214 I HN 0.122 nan 8.210 nan 0.000 0.562 215 S N 4.027 119.458 115.700 -0.448 0.000 2.576 215 S HA 0.077 4.543 4.470 -0.006 0.000 0.272 215 S C 1.336 175.682 174.600 -0.424 0.000 1.352 215 S CA -0.720 57.288 58.200 -0.320 0.000 1.021 215 S CB 1.051 64.149 63.200 -0.169 0.000 0.887 215 S HN 0.401 nan 8.310 nan 0.000 0.542 216 V N 4.540 124.410 119.914 -0.073 0.000 2.255 216 V HA -0.170 3.947 4.120 -0.006 0.000 0.247 216 V C 2.319 178.524 176.094 0.185 0.000 1.051 216 V CA 2.019 64.438 62.300 0.199 0.000 1.018 216 V CB -0.692 31.227 31.823 0.160 0.000 0.641 216 V HN 0.828 nan 8.190 nan 0.000 0.445 217 K N -0.251 120.186 120.400 0.062 0.000 2.288 217 K HA -0.105 4.211 4.320 -0.006 0.000 0.201 217 K C 1.616 178.239 176.600 0.039 0.000 1.048 217 K CA 1.163 57.491 56.287 0.068 0.000 0.956 217 K CB -0.189 32.336 32.500 0.042 0.000 0.746 217 K HN 0.460 nan 8.250 nan 0.000 0.461 218 D N 0.173 120.527 120.400 -0.077 0.000 2.317 218 D HA -0.070 4.566 4.640 -0.006 0.000 0.211 218 D C 1.301 177.545 176.300 -0.093 0.000 0.966 218 D CA 0.735 54.662 54.000 -0.121 0.000 0.876 218 D CB -0.051 40.611 40.800 -0.230 0.000 0.927 218 D HN 0.053 nan 8.370 nan 0.000 0.519 219 F N 1.113 121.086 119.950 0.039 0.000 2.075 219 F HA -0.130 4.393 4.527 -0.006 0.000 0.297 219 F C 2.686 178.594 175.800 0.180 0.000 1.113 219 F CA 1.451 59.492 58.000 0.068 0.000 1.218 219 F CB -1.298 37.712 39.000 0.017 0.000 0.984 219 F HN -0.002 nan 8.300 nan 0.000 0.472 220 T N -2.689 112.061 114.554 0.326 0.000 3.055 220 T HA -0.088 4.258 4.350 -0.006 0.000 0.265 220 T C 2.070 176.884 174.700 0.189 0.000 1.111 220 T CA 0.859 63.100 62.100 0.235 0.000 1.118 220 T CB -0.802 68.170 68.868 0.174 0.000 0.909 220 T HN 0.308 nan 8.240 nan 0.000 0.501 221 S N 1.557 117.360 115.700 0.171 0.000 2.383 221 S HA 0.103 4.569 4.470 -0.006 0.000 0.227 221 S C 0.934 175.656 174.600 0.204 0.000 1.026 221 S CA 0.123 58.409 58.200 0.143 0.000 0.981 221 S CB -0.799 62.458 63.200 0.096 0.000 0.818 221 S HN 0.540 nan 8.310 nan 0.000 0.472 222 L N 0.571 121.981 121.223 0.311 0.000 2.472 222 L HA 0.559 4.896 4.340 -0.006 0.000 0.256 222 L C 1.281 178.349 176.870 0.329 0.000 1.111 222 L CA -0.530 54.603 54.840 0.489 0.000 0.800 222 L CB 0.084 42.603 42.059 0.767 0.000 1.286 222 L HN 0.261 nan 8.230 nan 0.000 0.479 223 G N 0.439 109.279 108.800 0.066 0.000 3.197 223 G HA2 0.366 4.322 3.960 -0.006 0.000 0.257 223 G HA3 0.366 4.322 3.960 -0.006 0.000 0.257 223 G C -0.686 173.779 174.900 -0.724 0.000 0.835 223 G CA 0.104 44.992 45.100 -0.352 0.000 2.001 223 G HN 0.199 nan 8.290 nan 0.000 0.625 224 F N -0.642 119.326 119.950 0.030 0.000 2.626 224 F HA 0.434 4.957 4.527 -0.006 0.000 0.311 224 F C 0.006 175.847 175.800 0.068 0.000 1.088 224 F CA -1.235 56.787 58.000 0.037 0.000 0.949 224 F CB 2.022 41.074 39.000 0.086 0.000 1.322 224 F HN 0.058 nan 8.300 nan 0.000 0.461 225 N N 0.778 119.636 118.700 0.262 0.000 2.362 225 N HA 0.147 4.883 4.740 -0.006 0.000 0.299 225 N C 0.482 176.057 175.510 0.109 0.000 1.170 225 N CA -0.285 52.884 53.050 0.197 0.000 0.825 225 N CB 2.212 40.836 38.487 0.227 0.000 1.299 225 N HN 0.904 nan 8.380 nan 0.000 0.502 226 E N 0.770 121.028 120.200 0.097 0.000 2.007 226 E HA -0.131 4.215 4.350 -0.006 0.000 0.194 226 E C 0.931 177.497 176.600 -0.057 0.000 0.999 226 E CA 1.368 57.748 56.400 -0.033 0.000 0.811 226 E CB 0.177 29.904 29.700 0.044 0.000 0.762 226 E HN 0.290 nan 8.360 nan 0.000 0.450 227 V N 0.066 120.011 119.914 0.051 0.000 3.376 227 V HA 0.134 4.251 4.120 -0.006 0.000 0.313 227 V C 0.257 176.244 176.094 -0.177 0.000 1.393 227 V CA 0.075 62.345 62.300 -0.051 0.000 1.125 227 V CB -0.117 31.594 31.823 -0.186 0.000 1.037 227 V HN 0.259 nan 8.190 nan 0.000 0.440 228 F N 0.280 120.344 119.950 0.190 0.000 2.549 228 F HA 0.290 4.813 4.527 -0.006 0.000 0.275 228 F C 1.317 177.315 175.800 0.331 0.000 0.990 228 F CA 0.634 58.739 58.000 0.175 0.000 1.274 228 F CB 0.486 39.533 39.000 0.078 0.000 1.064 228 F HN 0.234 nan 8.300 nan 0.000 0.715 229 S N 0.592 116.576 115.700 0.474 0.000 2.293 229 S HA 0.431 4.897 4.470 -0.006 0.000 0.154 229 S C -0.612 174.047 174.600 0.098 0.000 1.602 229 S CA -0.764 57.673 58.200 0.394 0.000 1.260 229 S CB 0.191 63.585 63.200 0.324 0.000 1.270 229 S HN 0.052 nan 8.310 nan 0.000 0.416 230 R N 2.110 122.330 120.500 -0.467 0.000 2.347 230 R HA 0.250 4.587 4.340 -0.006 0.000 0.304 230 R C -1.926 173.974 176.300 -0.667 0.000 1.072 230 R CA -1.911 53.606 56.100 -0.971 0.000 0.980 230 R CB 0.305 29.530 30.300 -1.790 0.000 0.986 230 R HN 0.278 nan 8.270 nan 0.000 0.448 231 P HA -0.250 nan 4.420 nan 0.000 0.221 231 P C 0.623 177.757 177.300 -0.276 0.000 1.141 231 P CA 1.322 64.133 63.100 -0.481 0.000 0.794 231 P CB 0.080 31.562 31.700 -0.363 0.000 0.764 232 E N -2.027 117.991 120.200 -0.304 0.000 2.347 232 E HA -0.155 4.191 4.350 -0.006 0.000 0.196 232 E C 0.899 177.413 176.600 -0.144 0.000 1.008 232 E CA 0.608 56.860 56.400 -0.247 0.000 0.852 232 E CB -0.694 28.858 29.700 -0.246 0.000 0.783 232 E HN 0.320 nan 8.360 nan 0.000 0.505 233 W N 0.354 121.604 121.300 -0.082 0.000 3.278 233 W HA 0.358 5.015 4.660 -0.006 0.000 0.308 233 W C 1.603 178.088 176.519 -0.056 0.000 1.253 233 W CA -0.419 56.901 57.345 -0.042 0.000 1.759 233 W CB -0.328 29.124 29.460 -0.014 0.000 1.093 233 W HN 0.107 nan 8.180 nan 0.000 0.648 234 M N -0.078 119.515 119.600 -0.011 0.000 2.374 234 M HA -0.033 4.443 4.480 -0.006 0.000 0.264 234 M C 0.403 176.810 176.300 0.179 0.000 1.067 234 M CA 1.323 56.581 55.300 -0.071 0.000 1.103 234 M CB -0.173 32.270 32.600 -0.262 0.000 1.402 234 M HN -0.313 nan 8.290 nan 0.000 0.444 235 I N 1.010 121.613 120.570 0.056 0.000 2.359 235 I HA 0.251 4.417 4.170 -0.006 0.000 0.294 235 I C -0.599 175.580 176.117 0.103 0.000 0.987 235 I CA -0.619 60.702 61.300 0.034 0.000 1.225 235 I CB 1.400 39.298 38.000 -0.169 0.000 1.366 235 I HN -0.007 nan 8.210 nan 0.000 0.466 236 L N 5.788 127.079 121.223 0.114 0.000 2.276 236 L HA 0.408 4.744 4.340 -0.006 0.000 0.286 236 L C 0.716 177.628 176.870 0.072 0.000 1.061 236 L CA -0.193 54.727 54.840 0.134 0.000 0.807 236 L CB 1.092 43.252 42.059 0.169 0.000 1.177 236 L HN 0.676 nan 8.230 nan 0.000 0.429 237 T N -0.257 114.346 114.554 0.083 0.000 3.056 237 T HA 0.025 4.371 4.350 -0.006 0.000 0.241 237 T C 0.236 174.968 174.700 0.054 0.000 1.006 237 T CA 0.212 62.348 62.100 0.060 0.000 1.115 237 T CB 0.315 69.229 68.868 0.076 0.000 0.939 237 T HN 0.603 nan 8.240 nan 0.000 0.462 238 C N 2.480 121.813 119.300 0.055 0.000 2.340 238 C HA 0.797 5.254 4.460 -0.006 0.000 0.323 238 C C -0.870 174.137 174.990 0.028 0.000 1.260 238 C CA -1.350 57.699 59.018 0.052 0.000 1.464 238 C CB -0.403 27.371 27.740 0.057 0.000 2.156 238 C HN 0.470 nan 8.230 nan 0.000 0.476 239 L N 9.410 130.647 121.223 0.023 0.000 2.289 239 L HA 0.659 4.995 4.340 -0.006 0.000 0.285 239 L C -2.081 174.783 176.870 -0.011 0.000 1.049 239 L CA -1.466 53.382 54.840 0.013 0.000 0.804 239 L CB 1.531 43.592 42.059 0.004 0.000 1.195 239 L HN 0.517 nan 8.230 nan 0.000 0.428 240 P HA 0.148 nan 4.420 nan 0.000 0.279 240 P C -1.232 176.149 177.300 0.136 0.000 1.239 240 P CA -0.211 62.889 63.100 0.000 0.000 0.789 240 P CB 1.337 32.921 31.700 -0.195 0.000 0.933 241 V N 5.327 125.334 119.914 0.155 0.000 2.347 241 V HA 0.276 4.392 4.120 -0.006 0.000 0.280 241 V C -1.949 174.189 176.094 0.073 0.000 1.021 241 V CA -2.140 60.216 62.300 0.094 0.000 0.847 241 V CB 1.201 33.022 31.823 -0.003 0.000 0.990 241 V HN 0.543 nan 8.190 nan 0.000 0.444 242 P HA 0.227 nan 4.420 nan 0.000 0.271 242 P C -2.553 174.589 177.300 -0.263 0.000 1.220 242 P CA -1.335 61.621 63.100 -0.240 0.000 0.768 242 P CB 0.370 32.057 31.700 -0.022 0.000 0.848 243 P HA 0.114 nan 4.420 nan 0.000 0.272 243 P C -1.957 175.229 177.300 -0.190 0.000 1.240 243 P CA -1.517 61.416 63.100 -0.279 0.000 0.791 243 P CB -0.578 30.900 31.700 -0.370 0.000 0.978 244 P HA -0.149 nan 4.420 nan 0.000 0.218 244 P C -1.264 175.980 177.300 -0.093 0.000 1.154 244 P CA 2.667 65.708 63.100 -0.099 0.000 0.872 244 P CB -1.855 29.793 31.700 -0.086 0.000 0.790 245 P HA -0.117 nan 4.420 nan 0.000 0.219 245 P C 1.432 178.688 177.300 -0.074 0.000 1.146 245 P CA 1.099 64.144 63.100 -0.092 0.000 0.808 245 P CB -0.418 31.214 31.700 -0.114 0.000 0.779 246 V N -0.054 119.804 119.914 -0.094 0.000 2.346 246 V HA -0.112 4.004 4.120 -0.006 0.000 0.244 246 V C 1.302 177.379 176.094 -0.028 0.000 1.037 246 V CA 1.472 63.736 62.300 -0.060 0.000 1.029 246 V CB -0.981 30.794 31.823 -0.080 0.000 0.663 246 V HN 0.213 nan 8.190 nan 0.000 0.454 247 R N 1.614 122.096 120.500 -0.030 0.000 2.402 247 R HA 0.413 4.749 4.340 -0.006 0.000 0.290 247 R C -2.972 173.321 176.300 -0.012 0.000 1.321 247 R CA -1.712 54.387 56.100 -0.002 0.000 1.283 247 R CB 0.342 30.653 30.300 0.019 0.000 1.111 247 R HN 0.230 nan 8.270 nan 0.000 0.578 248 P HA -0.005 nan 4.420 nan 0.000 0.274 248 P C -0.531 176.766 177.300 -0.004 0.000 1.231 248 P CA -0.268 62.825 63.100 -0.012 0.000 0.790 248 P CB 1.617 33.316 31.700 -0.003 0.000 0.951 249 S N 1.563 117.250 115.700 -0.021 0.000 2.410 249 S HA 0.255 4.721 4.470 -0.006 0.000 0.304 249 S C 1.304 175.892 174.600 -0.021 0.000 1.095 249 S CA -0.658 57.524 58.200 -0.030 0.000 1.089 249 S CB -0.602 62.562 63.200 -0.059 0.000 0.968 249 S HN 0.185 nan 8.310 nan 0.000 0.480 250 I N 4.186 124.758 120.570 0.005 0.000 2.193 250 I HA -0.060 4.106 4.170 -0.006 0.000 0.240 250 I C 1.365 177.478 176.117 -0.008 0.000 1.084 250 I CA 1.084 62.412 61.300 0.046 0.000 1.365 250 I CB -0.752 37.348 38.000 0.167 0.000 1.064 250 I HN 0.971 nan 8.210 nan 0.000 0.410 251 S N 1.473 117.082 115.700 -0.153 0.000 3.530 251 S HA -0.217 4.249 4.470 -0.006 0.000 0.472 251 S C -0.046 174.461 174.600 -0.155 0.000 0.818 251 S CA 0.019 58.065 58.200 -0.256 0.000 1.367 251 S CB -2.935 60.179 63.200 -0.144 0.000 0.912 251 S HN 0.345 nan 8.310 nan 0.000 0.672 252 F N 1.243 121.195 119.950 0.005 0.000 2.438 252 F HA 0.774 5.297 4.527 -0.007 0.000 0.356 252 F C 1.088 176.889 175.800 0.002 0.000 1.099 252 F CA -0.918 57.083 58.000 0.003 0.000 1.185 252 F CB 0.157 39.160 39.000 0.005 0.000 1.115 252 F HN 0.503 nan 8.300 nan 0.000 0.526 253 N N 1.056 119.834 118.700 0.130 0.000 1.232 253 N HA -0.316 4.420 4.740 -0.006 0.000 0.136 253 N C 0.755 176.258 175.510 -0.012 0.000 0.858 253 N CA 1.454 54.539 53.050 0.058 0.000 0.928 253 N CB -0.827 37.711 38.487 0.085 0.000 1.138 253 N HN 0.874 nan 8.380 nan 0.000 0.571 254 E N -0.902 119.283 120.200 -0.026 0.000 3.001 254 E HA 0.272 4.618 4.350 -0.006 0.000 0.211 254 E C 0.954 177.520 176.600 -0.058 0.000 1.026 254 E CA 0.841 57.213 56.400 -0.046 0.000 1.614 254 E CB -0.323 29.361 29.700 -0.027 0.000 1.672 254 E HN 0.333 nan 8.360 nan 0.000 0.869 255 S N 0.174 115.853 115.700 -0.035 0.000 2.603 255 S HA 0.125 4.591 4.470 -0.006 0.000 0.220 255 S C 0.741 175.317 174.600 -0.040 0.000 0.967 255 S CA 0.033 58.214 58.200 -0.031 0.000 0.920 255 S CB -0.034 63.160 63.200 -0.010 0.000 0.773 255 S HN 0.144 nan 8.310 nan 0.000 0.529 256 Q N 0.699 120.455 119.800 -0.073 0.000 2.931 256 Q HA 0.453 4.789 4.340 -0.006 0.000 0.198 256 Q C 0.577 176.455 176.000 -0.204 0.000 1.137 256 Q CA -0.290 55.450 55.803 -0.105 0.000 0.590 256 Q CB 0.241 28.918 28.738 -0.100 0.000 4.856 256 Q HN 0.209 nan 8.270 nan 0.000 0.348 257 R N -2.136 118.134 120.500 -0.384 0.000 3.467 257 R HA 0.548 4.884 4.340 -0.006 0.000 0.202 257 R C -0.872 175.085 176.300 -0.572 0.000 1.167 257 R CA -0.021 55.886 56.100 -0.322 0.000 0.808 257 R CB 0.813 31.062 30.300 -0.086 0.000 1.357 257 R HN 0.807 nan 8.270 nan 0.000 0.429 258 G N 2.267 110.932 108.800 -0.225 0.000 2.314 258 G HA2 -0.020 3.936 3.960 -0.006 0.000 0.286 258 G HA3 -0.020 3.936 3.960 -0.006 0.000 0.286 258 G C -0.953 173.962 174.900 0.026 0.000 1.270 258 G CA -0.613 44.443 45.100 -0.073 0.000 1.277 258 G HN 0.162 nan 8.290 nan 0.000 0.635 259 E N 0.849 121.136 120.200 0.144 0.000 2.227 259 E HA 0.413 4.759 4.350 -0.006 0.000 0.268 259 E C -0.606 176.137 176.600 0.237 0.000 0.907 259 E CA -0.791 55.682 56.400 0.122 0.000 0.786 259 E CB 2.346 32.024 29.700 -0.037 0.000 1.191 259 E HN 0.427 nan 8.360 nan 0.000 0.411 260 D N 0.745 121.238 120.400 0.155 0.000 2.329 260 D HA 0.013 4.649 4.640 -0.006 0.000 0.246 260 D C 0.315 176.760 176.300 0.241 0.000 1.111 260 D CA -0.140 53.957 54.000 0.162 0.000 0.941 260 D CB 1.171 42.026 40.800 0.091 0.000 1.169 260 D HN 0.250 nan 8.370 nan 0.000 0.441 261 D N 1.040 121.554 120.400 0.190 0.000 2.149 261 D HA -0.172 4.464 4.640 -0.006 0.000 0.194 261 D C 1.878 178.314 176.300 0.228 0.000 1.001 261 D CA 1.132 55.248 54.000 0.195 0.000 0.849 261 D CB 0.059 40.920 40.800 0.103 0.000 0.939 261 D HN 0.352 nan 8.370 nan 0.000 0.449 262 L N 0.147 121.476 121.223 0.176 0.000 2.201 262 L HA -0.128 4.209 4.340 -0.006 0.000 0.212 262 L C 2.253 179.231 176.870 0.180 0.000 1.105 262 L CA 1.044 56.005 54.840 0.201 0.000 0.775 262 L CB -0.496 41.666 42.059 0.171 0.000 0.913 262 L HN 0.119 nan 8.230 nan 0.000 0.440 263 T N -0.571 114.052 114.554 0.115 0.000 2.777 263 T HA -0.148 4.198 4.350 -0.006 0.000 0.266 263 T C 1.594 176.254 174.700 -0.066 0.000 1.040 263 T CA 1.297 63.386 62.100 -0.017 0.000 1.141 263 T CB -0.327 68.471 68.868 -0.117 0.000 0.868 263 T HN 0.123 nan 8.240 nan 0.000 0.444 264 F N 1.276 121.245 119.950 0.031 0.000 2.186 264 F HA 0.079 4.603 4.527 -0.007 0.000 0.299 264 F C 2.449 178.261 175.800 0.020 0.000 1.090 264 F CA 0.836 58.850 58.000 0.023 0.000 1.307 264 F CB -0.169 38.853 39.000 0.037 0.000 1.019 264 F HN -0.022 nan 8.300 nan 0.000 0.489 265 K N 0.709 121.253 120.400 0.240 0.000 2.057 265 K HA -0.094 4.222 4.320 -0.006 0.000 0.206 265 K C 1.866 178.486 176.600 0.034 0.000 1.050 265 K CA 1.160 57.557 56.287 0.183 0.000 0.935 265 K CB -0.445 32.222 32.500 0.279 0.000 0.715 265 K HN 0.203 nan 8.250 nan 0.000 0.439 266 L N -0.231 120.977 121.223 -0.024 0.000 2.093 266 L HA -0.108 4.228 4.340 -0.006 0.000 0.208 266 L C 2.344 179.135 176.870 -0.133 0.000 1.085 266 L CA 1.180 55.923 54.840 -0.162 0.000 0.755 266 L CB -0.468 41.500 42.059 -0.151 0.000 0.904 266 L HN 0.240 nan 8.230 nan 0.000 0.435 267 A N -0.460 122.304 122.820 -0.094 0.000 1.969 267 A HA -0.204 4.112 4.320 -0.006 0.000 0.218 267 A C 1.925 179.448 177.584 -0.103 0.000 1.169 267 A CA 1.753 53.733 52.037 -0.094 0.000 0.635 267 A CB -0.376 18.563 19.000 -0.102 0.000 0.810 267 A HN 0.344 nan 8.150 nan 0.000 0.445 268 D N -0.133 120.193 120.400 -0.124 0.000 2.183 268 D HA -0.045 4.591 4.640 -0.006 0.000 0.203 268 D C 1.865 177.897 176.300 -0.446 0.000 0.969 268 D CA 0.854 54.671 54.000 -0.305 0.000 0.842 268 D CB -0.194 40.386 40.800 -0.367 0.000 0.957 268 D HN 0.517 nan 8.370 nan 0.000 0.484 269 I N 0.582 120.986 120.570 -0.277 0.000 2.142 269 I HA -0.245 3.921 4.170 -0.006 0.000 0.240 269 I C 2.334 178.371 176.117 -0.133 0.000 1.078 269 I CA 0.594 61.791 61.300 -0.172 0.000 1.343 269 I CB -0.105 37.794 38.000 -0.169 0.000 1.046 269 I HN 0.005 nan 8.210 nan 0.000 0.405 270 L N 1.060 122.202 121.223 -0.135 0.000 2.083 270 L HA -0.201 4.135 4.340 -0.006 0.000 0.209 270 L C 2.375 179.190 176.870 -0.092 0.000 1.083 270 L CA 1.866 56.641 54.840 -0.108 0.000 0.752 270 L CB -0.822 41.173 42.059 -0.107 0.000 0.899 270 L HN 0.103 nan 8.230 nan 0.000 0.433 271 K N -0.903 119.438 120.400 -0.098 0.000 2.103 271 K HA -0.151 4.165 4.320 -0.006 0.000 0.207 271 K C 1.932 178.499 176.600 -0.056 0.000 1.048 271 K CA 1.335 57.578 56.287 -0.073 0.000 0.930 271 K CB -0.146 32.311 32.500 -0.072 0.000 0.716 271 K HN 0.462 nan 8.250 nan 0.000 0.444 272 A N 0.713 123.493 122.820 -0.067 0.000 1.968 272 A HA -0.131 4.185 4.320 -0.006 0.000 0.217 272 A C 1.779 179.365 177.584 0.003 0.000 1.169 272 A CA 1.590 53.626 52.037 -0.002 0.000 0.638 272 A CB -0.526 18.511 19.000 0.062 0.000 0.812 272 A HN 0.410 nan 8.150 nan 0.000 0.446 273 N N -0.176 118.510 118.700 -0.023 0.000 2.270 273 N HA -0.069 4.667 4.740 -0.006 0.000 0.181 273 N C 1.460 176.951 175.510 -0.031 0.000 1.016 273 N CA 1.078 54.114 53.050 -0.023 0.000 0.870 273 N CB -0.139 38.323 38.487 -0.042 0.000 0.979 273 N HN 0.314 nan 8.380 nan 0.000 0.431 274 I N 0.543 121.085 120.570 -0.046 0.000 2.179 274 I HA -0.216 3.950 4.170 -0.006 0.000 0.242 274 I C 2.316 178.414 176.117 -0.031 0.000 1.088 274 I CA 1.234 62.503 61.300 -0.052 0.000 1.357 274 I CB -1.536 36.422 38.000 -0.069 0.000 1.051 274 I HN 0.293 nan 8.210 nan 0.000 0.409 275 S N 1.148 116.837 115.700 -0.018 0.000 2.368 275 S HA -0.193 4.273 4.470 -0.006 0.000 0.225 275 S C 2.063 176.664 174.600 0.001 0.000 1.030 275 S CA 0.948 59.145 58.200 -0.005 0.000 0.999 275 S CB -1.014 62.188 63.200 0.005 0.000 0.844 275 S HN 0.344 nan 8.310 nan 0.000 0.459 276 L N 1.785 123.012 121.223 0.006 0.000 2.156 276 L HA 0.123 4.459 4.340 -0.006 0.000 0.208 276 L C 2.686 179.560 176.870 0.007 0.000 1.095 276 L CA 1.767 56.613 54.840 0.010 0.000 0.770 276 L CB -0.547 41.523 42.059 0.020 0.000 0.914 276 L HN 0.457 nan 8.230 nan 0.000 0.439 277 E N -1.430 118.772 120.200 0.003 0.000 2.107 277 E HA -0.168 4.178 4.350 -0.006 0.000 0.191 277 E C 1.779 178.391 176.600 0.020 0.000 0.982 277 E CA 1.482 57.888 56.400 0.011 0.000 0.809 277 E CB 0.091 29.787 29.700 -0.007 0.000 0.756 277 E HN 0.486 nan 8.360 nan 0.000 0.459 278 T N 1.646 116.202 114.554 0.003 0.000 2.746 278 T HA -0.113 4.233 4.350 -0.006 0.000 0.267 278 T C 1.959 176.667 174.700 0.012 0.000 1.039 278 T CA 0.926 63.029 62.100 0.005 0.000 1.142 278 T CB -0.155 68.708 68.868 -0.008 0.000 0.866 278 T HN 0.135 nan 8.240 nan 0.000 0.444 279 L N 0.557 121.781 121.223 0.003 0.000 2.093 279 L HA -0.056 4.280 4.340 -0.006 0.000 0.208 279 L C 2.861 179.718 176.870 -0.023 0.000 1.085 279 L CA 1.260 56.095 54.840 -0.009 0.000 0.755 279 L CB -0.483 41.569 42.059 -0.012 0.000 0.904 279 L HN 0.287 nan 8.230 nan 0.000 0.435 280 E N -0.428 119.761 120.200 -0.018 0.000 2.058 280 E HA -0.265 4.081 4.350 -0.006 0.000 0.194 280 E C 1.646 178.176 176.600 -0.117 0.000 0.997 280 E CA 1.620 57.982 56.400 -0.062 0.000 0.801 280 E CB -0.073 29.604 29.700 -0.038 0.000 0.746 280 E HN 0.579 nan 8.360 nan 0.000 0.450 281 H N -0.469 118.580 119.070 -0.035 0.000 2.539 281 H HA 0.114 4.666 4.556 -0.006 0.000 0.269 281 H C 0.092 175.399 175.328 -0.035 0.000 0.980 281 H CA -0.297 55.731 56.048 -0.034 0.000 1.152 281 H CB 0.315 30.060 29.762 -0.028 0.000 1.407 281 H HN -0.028 nan 8.280 nan 0.000 0.564 282 N N -1.045 117.679 118.700 0.040 0.000 2.776 282 N HA 0.210 4.946 4.740 -0.006 0.000 0.319 282 N C 0.453 175.945 175.510 -0.030 0.000 1.316 282 N CA -0.096 52.960 53.050 0.010 0.000 0.890 282 N CB 0.179 38.670 38.487 0.007 0.000 1.165 282 N HN 0.135 nan 8.380 nan 0.000 0.596 283 G N -0.535 108.247 108.800 -0.029 0.000 2.778 283 G HA2 0.400 4.356 3.960 -0.006 0.000 0.287 283 G HA3 0.400 4.356 3.960 -0.006 0.000 0.287 283 G C -0.309 174.554 174.900 -0.063 0.000 0.747 283 G CA -0.189 44.883 45.100 -0.047 0.000 1.961 283 G HN 0.580 nan 8.290 nan 0.000 0.539 284 A N 4.251 127.009 122.820 -0.103 0.000 2.354 284 A HA 0.619 4.935 4.320 -0.006 0.000 0.281 284 A C -1.963 175.531 177.584 -0.150 0.000 1.174 284 A CA -1.304 50.664 52.037 -0.115 0.000 0.828 284 A CB 0.524 19.442 19.000 -0.136 0.000 1.099 284 A HN 0.437 nan 8.150 nan 0.000 0.516 285 P HA 0.107 nan 4.420 nan 0.000 0.269 285 P C 0.947 178.225 177.300 -0.037 0.000 1.263 285 P CA 0.001 63.080 63.100 -0.036 0.000 0.813 285 P CB 0.119 31.825 31.700 0.011 0.000 0.868 286 H N 2.228 121.245 119.070 -0.088 0.000 2.266 286 H HA -0.253 4.299 4.556 -0.006 0.000 0.274 286 H C 0.482 175.611 175.328 -0.331 0.000 1.140 286 H CA 1.978 57.896 56.048 -0.216 0.000 1.186 286 H CB -0.180 29.460 29.762 -0.202 0.000 1.412 286 H HN 0.610 nan 8.280 nan 0.000 0.513 287 H N -1.614 117.541 119.070 0.143 0.000 2.510 287 H HA 0.437 4.989 4.556 -0.006 0.000 0.266 287 H C 0.909 176.271 175.328 0.057 0.000 1.146 287 H CA 0.569 56.668 56.048 0.084 0.000 0.993 287 H CB 0.636 30.443 29.762 0.076 0.000 1.727 287 H HN 0.351 nan 8.280 nan 0.000 0.590 288 A N 0.284 123.178 122.820 0.124 0.000 2.348 288 A HA 0.181 4.497 4.320 -0.006 0.000 0.224 288 A C 1.912 179.531 177.584 0.058 0.000 1.227 288 A CA -0.113 51.973 52.037 0.081 0.000 0.885 288 A CB -0.187 18.847 19.000 0.057 0.000 0.933 288 A HN 0.209 nan 8.150 nan 0.000 0.506 289 I N 0.663 121.266 120.570 0.055 0.000 2.286 289 I HA -0.177 3.990 4.170 -0.006 0.000 0.245 289 I C 2.380 178.533 176.117 0.059 0.000 1.104 289 I CA 1.378 62.700 61.300 0.038 0.000 1.397 289 I CB -0.294 37.713 38.000 0.012 0.000 1.072 289 I HN 0.444 nan 8.210 nan 0.000 0.417 290 E N 1.845 122.099 120.200 0.090 0.000 2.409 290 E HA -0.207 4.139 4.350 -0.006 0.000 0.198 290 E C 1.075 177.720 176.600 0.074 0.000 1.024 290 E CA 0.897 57.353 56.400 0.093 0.000 0.861 290 E CB -0.489 29.284 29.700 0.122 0.000 0.788 290 E HN 0.610 nan 8.360 nan 0.000 0.521 291 E N 0.308 120.546 120.200 0.063 0.000 2.512 291 E HA 0.090 4.436 4.350 -0.006 0.000 0.195 291 E C 1.028 177.648 176.600 0.033 0.000 1.083 291 E CA 0.469 56.894 56.400 0.041 0.000 0.873 291 E CB 0.255 29.977 29.700 0.036 0.000 0.897 291 E HN 0.426 nan 8.360 nan 0.000 0.514 292 A N 0.038 122.885 122.820 0.045 0.000 2.377 292 A HA 0.055 4.371 4.320 -0.006 0.000 0.209 292 A C 1.675 179.299 177.584 0.067 0.000 1.359 292 A CA -0.290 51.775 52.037 0.048 0.000 1.026 292 A CB 0.323 19.347 19.000 0.040 0.000 1.224 292 A HN 0.114 nan 8.150 nan 0.000 0.528 293 E N 1.113 121.355 120.200 0.070 0.000 2.107 293 E HA -0.132 4.215 4.350 -0.006 0.000 0.191 293 E C 1.933 178.596 176.600 0.105 0.000 0.982 293 E CA 1.448 57.898 56.400 0.083 0.000 0.809 293 E CB 0.035 29.782 29.700 0.079 0.000 0.756 293 E HN 0.653 nan 8.360 nan 0.000 0.459 294 S N 0.847 116.606 115.700 0.099 0.000 2.447 294 S HA -0.091 4.375 4.470 -0.006 0.000 0.233 294 S C 1.982 176.657 174.600 0.125 0.000 1.006 294 S CA 0.344 58.611 58.200 0.112 0.000 0.957 294 S CB -0.099 63.148 63.200 0.078 0.000 0.773 294 S HN 0.296 nan 8.310 nan 0.000 0.507 295 L N 0.165 121.448 121.223 0.098 0.000 2.240 295 L HA 0.259 4.596 4.340 -0.006 0.000 0.211 295 L C 2.041 179.061 176.870 0.250 0.000 1.106 295 L CA 1.019 55.930 54.840 0.117 0.000 0.793 295 L CB -0.536 41.569 42.059 0.076 0.000 0.927 295 L HN 0.407 nan 8.230 nan 0.000 0.446 296 L N 0.016 121.359 121.223 0.200 0.000 2.162 296 L HA -0.095 4.241 4.340 -0.006 0.000 0.205 296 L C 2.260 179.243 176.870 0.187 0.000 1.086 296 L CA 1.177 56.135 54.840 0.196 0.000 0.778 296 L CB -0.354 41.777 42.059 0.120 0.000 0.928 296 L HN 0.234 nan 8.230 nan 0.000 0.446 297 Q N -1.625 118.283 119.800 0.180 0.000 2.515 297 Q HA -0.137 4.199 4.340 -0.006 0.000 0.212 297 Q C 1.407 177.525 176.000 0.197 0.000 0.970 297 Q CA 1.093 57.006 55.803 0.183 0.000 0.941 297 Q CB -0.249 28.610 28.738 0.201 0.000 0.998 297 Q HN 0.547 nan 8.270 nan 0.000 0.518 298 F N -1.703 118.266 119.950 0.031 0.000 2.419 298 F HA 0.112 4.636 4.527 -0.006 0.000 0.283 298 F C 1.942 177.704 175.800 -0.062 0.000 1.044 298 F CA 0.725 58.695 58.000 -0.049 0.000 1.376 298 F CB 0.108 39.028 39.000 -0.134 0.000 1.131 298 F HN 0.181 nan 8.300 nan 0.000 0.585 299 H N -0.392 118.778 119.070 0.166 0.000 2.326 299 H HA -0.048 4.504 4.556 -0.006 0.000 0.301 299 H C 2.423 177.774 175.328 0.039 0.000 1.081 299 H CA 2.011 58.105 56.048 0.076 0.000 1.334 299 H CB -0.480 29.353 29.762 0.119 0.000 1.385 299 H HN 0.151 nan 8.280 nan 0.000 0.504 300 V N 1.159 121.174 119.914 0.168 0.000 2.490 300 V HA -0.204 3.912 4.120 -0.006 0.000 0.250 300 V C 2.745 178.903 176.094 0.107 0.000 1.061 300 V CA 1.345 63.725 62.300 0.134 0.000 1.064 300 V CB -0.928 30.953 31.823 0.097 0.000 0.670 300 V HN 0.427 nan 8.190 nan 0.000 0.461 301 A N -0.625 122.199 122.820 0.006 0.000 1.872 301 A HA -0.204 4.112 4.320 -0.006 0.000 0.214 301 A C 2.447 179.940 177.584 -0.152 0.000 1.187 301 A CA 2.287 54.267 52.037 -0.094 0.000 0.614 301 A CB -0.831 18.097 19.000 -0.119 0.000 0.826 301 A HN 0.429 nan 8.150 nan 0.000 0.442 302 T N -2.196 112.225 114.554 -0.222 0.000 3.023 302 T HA -0.094 4.252 4.350 -0.006 0.000 0.266 302 T C 1.604 176.280 174.700 -0.040 0.000 1.093 302 T CA 1.297 63.265 62.100 -0.219 0.000 1.129 302 T CB -0.410 68.219 68.868 -0.398 0.000 0.899 302 T HN 0.551 nan 8.240 nan 0.000 0.491 303 Y N 0.806 121.064 120.300 -0.070 0.000 2.293 303 Y HA 0.090 4.636 4.550 -0.006 0.000 0.291 303 Y C 1.911 177.803 175.900 -0.013 0.000 1.137 303 Y CA 1.435 59.529 58.100 -0.009 0.000 1.202 303 Y CB -0.165 38.309 38.460 0.024 0.000 0.990 303 Y HN 0.226 nan 8.280 nan 0.000 0.537 304 M N -1.095 118.392 119.600 -0.189 0.000 2.545 304 M HA 0.113 4.589 4.480 -0.006 0.000 0.264 304 M C -0.500 175.713 176.300 -0.145 0.000 1.155 304 M CA 0.660 55.810 55.300 -0.249 0.000 1.162 304 M CB 0.499 32.980 32.600 -0.199 0.000 1.330 304 M HN 0.060 nan 8.290 nan 0.000 0.479 305 D N -0.503 119.816 120.400 -0.136 0.000 2.977 305 D HA 0.191 4.827 4.640 -0.006 0.000 0.220 305 D C -1.126 175.103 176.300 -0.119 0.000 1.267 305 D CA -0.201 53.736 54.000 -0.106 0.000 0.884 305 D CB 1.060 41.794 40.800 -0.110 0.000 1.667 305 D HN -0.175 nan 8.370 nan 0.000 0.536 306 N N 2.339 120.984 118.700 -0.092 0.000 2.282 306 N HA 0.176 4.913 4.740 -0.006 0.000 0.240 306 N C -1.346 174.123 175.510 -0.068 0.000 1.182 306 N CA -0.126 52.867 53.050 -0.095 0.000 0.874 306 N CB 0.549 38.992 38.487 -0.073 0.000 1.126 306 N HN 0.288 nan 8.380 nan 0.000 0.516 307 D N 0.867 121.231 120.400 -0.061 0.000 2.443 307 D HA 0.267 4.903 4.640 -0.006 0.000 0.281 307 D C -0.396 175.879 176.300 -0.042 0.000 1.210 307 D CA -0.144 53.831 54.000 -0.042 0.000 0.875 307 D CB 0.820 41.601 40.800 -0.031 0.000 1.125 307 D HN 0.157 nan 8.370 nan 0.000 0.503 308 I N -0.303 120.241 120.570 -0.043 0.000 3.067 308 I HA 0.451 4.617 4.170 -0.006 0.000 0.312 308 I C 1.502 177.607 176.117 -0.019 0.000 1.073 308 I CA -1.046 60.231 61.300 -0.039 0.000 1.016 308 I CB 1.329 39.296 38.000 -0.055 0.000 1.227 308 I HN 0.049 nan 8.210 nan 0.000 0.456 309 A N 1.717 124.528 122.820 -0.015 0.000 2.209 309 A HA 0.116 4.432 4.320 -0.006 0.000 0.212 309 A C 2.039 179.626 177.584 0.005 0.000 1.158 309 A CA 1.303 53.337 52.037 -0.004 0.000 0.742 309 A CB -1.343 17.655 19.000 -0.005 0.000 0.790 309 A HN 0.993 nan 8.150 nan 0.000 0.472 310 G N -1.609 107.197 108.800 0.009 0.000 2.446 310 G HA2 -0.085 3.871 3.960 -0.006 0.000 0.217 310 G HA3 -0.085 3.871 3.960 -0.006 0.000 0.217 310 G C 0.919 175.844 174.900 0.041 0.000 1.168 310 G CA 1.564 46.682 45.100 0.031 0.000 0.771 310 G HN 0.656 nan 8.290 nan 0.000 0.551 311 Q N -1.693 118.130 119.800 0.038 0.000 7.908 311 Q HA -0.125 4.211 4.340 -0.006 0.000 0.367 311 Q C -1.872 174.160 176.000 0.053 0.000 0.988 311 Q CA 0.456 56.280 55.803 0.036 0.000 0.537 311 Q CB -1.776 26.980 28.738 0.029 0.000 0.158 311 Q HN 0.490 nan 8.270 nan 0.000 0.895 312 P HA -0.004 nan 4.420 nan 0.000 0.262 312 P C -0.347 177.023 177.300 0.115 0.000 1.199 312 P CA 0.578 63.757 63.100 0.132 0.000 0.763 312 P CB 0.679 32.517 31.700 0.230 0.000 0.790 313 Q N 2.285 122.129 119.800 0.074 0.000 2.466 313 Q HA 0.070 4.406 4.340 -0.006 0.000 0.210 313 Q C 0.809 176.835 176.000 0.043 0.000 0.961 313 Q CA 0.387 56.212 55.803 0.035 0.000 0.953 313 Q CB -0.288 28.464 28.738 0.022 0.000 1.011 313 Q HN 0.694 nan 8.270 nan 0.000 0.516 314 A N 1.244 124.139 122.820 0.125 0.000 2.415 314 A HA -0.193 4.123 4.320 -0.006 0.000 0.292 314 A C 0.346 177.993 177.584 0.105 0.000 1.452 314 A CA 0.395 52.533 52.037 0.167 0.000 0.750 314 A CB -2.488 16.502 19.000 -0.016 0.000 1.099 314 A HN 0.526 nan 8.150 nan 0.000 0.391 315 L N -1.571 119.705 121.223 0.088 0.000 2.453 315 L HA 0.452 4.788 4.340 -0.006 0.000 0.272 315 L C 0.636 177.539 176.870 0.054 0.000 1.182 315 L CA -0.436 54.436 54.840 0.053 0.000 0.858 315 L CB 0.489 42.569 42.059 0.035 0.000 1.120 315 L HN 0.558 nan 8.230 nan 0.000 0.474 316 Q N 2.151 121.967 119.800 0.026 0.000 2.373 316 Q HA 0.113 4.449 4.340 -0.006 0.000 0.255 316 Q C -0.460 175.531 176.000 -0.016 0.000 0.980 316 Q CA -0.384 55.417 55.803 -0.002 0.000 0.882 316 Q CB 0.835 29.540 28.738 -0.054 0.000 1.249 316 Q HN 0.631 nan 8.270 nan 0.000 0.438 317 K N 2.287 122.672 120.400 -0.024 0.000 1.981 317 K HA -0.019 4.297 4.320 -0.006 0.000 0.220 317 K C 0.049 176.627 176.600 -0.035 0.000 1.176 317 K CA 0.621 56.896 56.287 -0.020 0.000 1.181 317 K CB -0.188 32.305 32.500 -0.012 0.000 1.218 317 K HN 0.678 nan 8.250 nan 0.000 0.260 318 S N -1.128 114.556 115.700 -0.027 0.000 2.079 318 S HA 0.100 4.566 4.470 -0.006 0.000 0.237 318 S C 1.116 175.705 174.600 -0.018 0.000 0.900 318 S CA -0.064 58.119 58.200 -0.028 0.000 1.599 318 S CB 0.385 63.558 63.200 -0.045 0.000 1.167 318 S HN 0.599 nan 8.310 nan 0.000 0.551 319 G N 2.041 110.834 108.800 -0.012 0.000 2.259 319 G HA2 -0.249 3.707 3.960 -0.006 0.000 0.217 319 G HA3 -0.249 3.707 3.960 -0.006 0.000 0.217 319 G C 0.018 174.914 174.900 -0.008 0.000 1.001 319 G CA 0.010 45.106 45.100 -0.007 0.000 0.627 319 G HN 0.680 nan 8.290 nan 0.000 0.501 320 R N 1.702 122.193 120.500 -0.014 0.000 2.570 320 R HA 0.344 4.680 4.340 -0.006 0.000 0.277 320 R C -1.083 175.213 176.300 -0.006 0.000 1.039 320 R CA -0.582 55.509 56.100 -0.015 0.000 1.065 320 R CB 0.742 31.027 30.300 -0.025 0.000 0.964 320 R HN 0.196 nan 8.270 nan 0.000 0.428 321 P HA -0.017 nan 4.420 nan 0.000 0.202 321 P C -0.679 176.624 177.300 0.006 0.000 1.027 321 P CA 0.073 63.174 63.100 0.003 0.000 0.791 321 P CB 0.299 31.997 31.700 -0.003 0.000 0.612 322 V N -1.805 118.111 119.914 0.003 0.000 2.971 322 V HA 0.103 4.219 4.120 -0.006 0.000 0.281 322 V C -1.122 174.974 176.094 0.003 0.000 1.470 322 V CA -0.716 61.591 62.300 0.011 0.000 0.966 322 V CB 2.192 34.030 31.823 0.025 0.000 1.156 322 V HN 0.060 nan 8.190 nan 0.000 0.441 323 K N 3.160 123.567 120.400 0.012 0.000 2.187 323 K HA 0.335 4.651 4.320 -0.006 0.000 0.242 323 K C 0.532 177.128 176.600 -0.008 0.000 1.179 323 K CA -0.038 56.251 56.287 0.003 0.000 1.097 323 K CB 0.430 32.937 32.500 0.012 0.000 1.634 323 K HN 0.764 nan 8.250 nan 0.000 0.335 324 S N 0.537 116.219 115.700 -0.029 0.000 2.593 324 S HA 0.151 4.617 4.470 -0.006 0.000 0.269 324 S C 1.438 175.985 174.600 -0.088 0.000 1.334 324 S CA -0.650 57.509 58.200 -0.069 0.000 1.015 324 S CB 0.637 63.792 63.200 -0.075 0.000 0.912 324 S HN 0.413 nan 8.310 nan 0.000 0.541 325 I N 0.594 121.070 120.570 -0.156 0.000 2.264 325 I HA -0.175 3.991 4.170 -0.006 0.000 0.248 325 I C 2.887 178.963 176.117 -0.069 0.000 1.111 325 I CA 1.456 62.678 61.300 -0.130 0.000 1.382 325 I CB -0.452 37.426 38.000 -0.202 0.000 1.060 325 I HN 0.759 nan 8.210 nan 0.000 0.418 326 R N 1.572 122.044 120.500 -0.047 0.000 2.081 326 R HA -0.175 4.162 4.340 -0.006 0.000 0.235 326 R C 2.361 178.646 176.300 -0.025 0.000 1.131 326 R CA 1.621 57.714 56.100 -0.011 0.000 0.960 326 R CB -0.247 30.072 30.300 0.033 0.000 0.856 326 R HN 0.361 nan 8.270 nan 0.000 0.436 327 A N 0.972 123.774 122.820 -0.031 0.000 2.019 327 A HA -0.104 4.212 4.320 -0.006 0.000 0.219 327 A C 2.023 179.591 177.584 -0.027 0.000 1.164 327 A CA 1.032 53.052 52.037 -0.028 0.000 0.644 327 A CB -0.353 18.631 19.000 -0.027 0.000 0.805 327 A HN 0.338 nan 8.150 nan 0.000 0.449 328 R N -0.999 119.483 120.500 -0.030 0.000 2.280 328 R HA 0.133 4.470 4.340 -0.006 0.000 0.207 328 R C 0.787 177.072 176.300 -0.026 0.000 1.043 328 R CA 0.742 56.827 56.100 -0.025 0.000 1.006 328 R CB -0.146 30.139 30.300 -0.024 0.000 0.885 328 R HN 0.506 nan 8.270 nan 0.000 0.467 329 L N -0.526 120.677 121.223 -0.034 0.000 2.858 329 L HA 0.200 4.536 4.340 -0.006 0.000 0.251 329 L C 0.313 177.160 176.870 -0.039 0.000 1.149 329 L CA -0.290 54.526 54.840 -0.039 0.000 0.955 329 L CB 0.374 42.397 42.059 -0.059 0.000 1.289 329 L HN -0.168 nan 8.230 nan 0.000 0.542 330 K N 1.384 121.763 120.400 -0.035 0.000 2.319 330 K HA 0.309 4.625 4.320 -0.006 0.000 0.265 330 K C 0.688 177.265 176.600 -0.039 0.000 1.000 330 K CA 0.121 56.387 56.287 -0.035 0.000 0.943 330 K CB 0.679 33.160 32.500 -0.031 0.000 0.950 330 K HN 0.043 nan 8.250 nan 0.000 0.485 331 G N 2.606 111.378 108.800 -0.047 0.000 2.391 331 G HA2 0.112 4.068 3.960 -0.006 0.000 0.234 331 G HA3 0.112 4.068 3.960 -0.006 0.000 0.234 331 G C -0.921 173.947 174.900 -0.053 0.000 1.284 331 G CA 0.052 45.117 45.100 -0.058 0.000 0.873 331 G HN 0.651 nan 8.290 nan 0.000 0.549 332 K N 0.420 120.790 120.400 -0.050 0.000 7.179 332 K HA -0.166 4.150 4.320 -0.006 0.000 0.702 332 K C 0.912 177.494 176.600 -0.030 0.000 2.556 332 K CA 0.896 57.159 56.287 -0.040 0.000 1.884 332 K CB -0.020 32.453 32.500 -0.045 0.000 2.172 332 K HN 1.238 nan 8.250 nan 0.000 0.261 333 E N -0.705 119.481 120.200 -0.023 0.000 2.216 333 E HA -0.268 4.079 4.350 -0.006 0.000 0.219 333 E C -0.059 176.531 176.600 -0.017 0.000 1.317 333 E CA 1.749 58.139 56.400 -0.017 0.000 0.716 333 E CB -1.855 27.836 29.700 -0.016 0.000 1.135 333 E HN 0.801 nan 8.360 nan 0.000 0.359 334 G N 0.547 109.335 108.800 -0.019 0.000 4.465 334 G HA2 0.422 4.378 3.960 -0.006 0.000 0.330 334 G HA3 0.422 4.378 3.960 -0.006 0.000 0.330 334 G C 0.465 175.355 174.900 -0.017 0.000 1.475 334 G CA 0.093 45.181 45.100 -0.020 0.000 0.955 334 G HN 0.222 nan 8.290 nan 0.000 0.516 335 R N -0.056 120.438 120.500 -0.010 0.000 1.252 335 R HA -0.309 4.027 4.340 -0.006 0.000 0.031 335 R C 1.755 178.053 176.300 -0.003 0.000 0.958 335 R CA 2.384 58.481 56.100 -0.005 0.000 1.965 335 R CB -1.538 28.759 30.300 -0.005 0.000 0.201 335 R HN 0.423 nan 8.270 nan 0.000 0.724 336 I N 0.065 120.631 120.570 -0.007 0.000 2.141 336 I HA -0.148 4.018 4.170 -0.006 0.000 0.236 336 I C 2.298 178.414 176.117 -0.002 0.000 1.071 336 I CA 1.755 63.054 61.300 -0.002 0.000 1.345 336 I CB -0.868 37.127 38.000 -0.008 0.000 1.066 336 I HN 0.335 nan 8.210 nan 0.000 0.406 337 R N 0.011 120.504 120.500 -0.011 0.000 2.127 337 R HA 0.009 4.345 4.340 -0.006 0.000 0.217 337 R C 1.941 178.235 176.300 -0.011 0.000 1.074 337 R CA 1.118 57.210 56.100 -0.013 0.000 0.991 337 R CB -0.193 30.089 30.300 -0.030 0.000 0.895 337 R HN 0.400 nan 8.270 nan 0.000 0.450 338 G N -0.974 107.820 108.800 -0.010 0.000 3.159 338 G HA2 -0.017 3.939 3.960 -0.006 0.000 0.232 338 G HA3 -0.017 3.939 3.960 -0.006 0.000 0.232 338 G C 0.572 175.472 174.900 -0.001 0.000 1.116 338 G CA -0.151 44.945 45.100 -0.007 0.000 0.767 338 G HN 0.289 nan 8.290 nan 0.000 0.547 339 N N -1.214 117.487 118.700 0.001 0.000 2.129 339 N HA 0.293 5.029 4.740 -0.006 0.000 0.222 339 N C 1.269 176.785 175.510 0.009 0.000 1.303 339 N CA -0.095 52.958 53.050 0.005 0.000 0.897 339 N CB 0.742 39.231 38.487 0.003 0.000 1.093 339 N HN 0.119 nan 8.380 nan 0.000 0.501 340 L N -0.416 120.813 121.223 0.009 0.000 2.638 340 L HA 0.311 4.647 4.340 -0.006 0.000 0.195 340 L C 1.513 178.391 176.870 0.013 0.000 1.065 340 L CA 0.171 55.019 54.840 0.012 0.000 0.859 340 L CB 0.075 42.142 42.059 0.014 0.000 1.269 340 L HN 0.094 nan 8.230 nan 0.000 0.484 341 M N -0.166 119.440 119.600 0.011 0.000 2.349 341 M HA 0.177 4.654 4.480 -0.006 0.000 0.266 341 M C 0.774 177.079 176.300 0.008 0.000 1.076 341 M CA 0.597 55.903 55.300 0.011 0.000 1.126 341 M CB -0.629 31.979 32.600 0.013 0.000 1.392 341 M HN 0.193 nan 8.290 nan 0.000 0.440 342 G N 1.115 109.920 108.800 0.009 0.000 2.744 342 G HA2 0.534 4.490 3.960 -0.006 0.000 0.286 342 G HA3 0.534 4.490 3.960 -0.006 0.000 0.286 342 G C -0.957 173.954 174.900 0.017 0.000 1.497 342 G CA -0.585 44.522 45.100 0.012 0.000 1.070 342 G HN 0.101 nan 8.290 nan 0.000 0.539 343 K N 1.388 121.805 120.400 0.028 0.000 2.267 343 K HA 0.510 4.826 4.320 -0.006 0.000 0.246 343 K C -0.142 176.485 176.600 0.045 0.000 0.954 343 K CA -0.970 55.336 56.287 0.032 0.000 0.824 343 K CB 2.598 35.119 32.500 0.034 0.000 1.167 343 K HN 0.358 nan 8.250 nan 0.000 0.431 344 R N 1.526 122.047 120.500 0.034 0.000 2.267 344 R HA 0.192 4.528 4.340 -0.006 0.000 0.319 344 R C -0.017 176.308 176.300 0.041 0.000 1.067 344 R CA -0.478 55.642 56.100 0.035 0.000 0.936 344 R CB 0.525 30.834 30.300 0.015 0.000 1.006 344 R HN 0.408 nan 8.270 nan 0.000 0.452 345 V N -0.931 119.019 119.914 0.059 0.000 2.994 345 V HA 0.475 4.591 4.120 -0.006 0.000 0.318 345 V C -0.072 176.043 176.094 0.035 0.000 1.085 345 V CA -1.115 61.232 62.300 0.078 0.000 0.998 345 V CB 2.139 34.060 31.823 0.163 0.000 1.063 345 V HN 0.512 nan 8.190 nan 0.000 0.447 346 D N 0.585 121.018 120.400 0.056 0.000 2.432 346 D HA 0.485 5.121 4.640 -0.006 0.000 0.258 346 D C -0.205 176.154 176.300 0.098 0.000 1.146 346 D CA 0.026 53.998 54.000 -0.046 0.000 1.015 346 D CB 0.739 41.446 40.800 -0.155 0.000 1.107 346 D HN 0.711 nan 8.370 nan 0.000 0.529 347 F N -0.430 119.511 119.950 -0.015 0.000 2.807 347 F HA -0.246 4.277 4.527 -0.007 0.000 0.297 347 F C 0.233 176.014 175.800 -0.032 0.000 1.024 347 F CA 0.054 58.053 58.000 -0.002 0.000 1.008 347 F CB -1.924 37.093 39.000 0.028 0.000 1.142 347 F HN 0.176 nan 8.300 nan 0.000 0.829 348 S N -0.728 114.982 115.700 0.015 0.000 2.607 348 S HA 1.000 5.466 4.470 -0.006 0.000 0.273 348 S C -0.649 173.943 174.600 -0.014 0.000 1.148 348 S CA -0.446 57.706 58.200 -0.081 0.000 0.833 348 S CB 2.579 65.624 63.200 -0.258 0.000 1.130 348 S HN 1.409 nan 8.310 nan 0.000 0.470 349 A N 0.975 123.819 122.820 0.040 0.000 2.517 349 A HA 0.846 5.162 4.320 -0.006 0.000 0.297 349 A C -0.893 176.774 177.584 0.139 0.000 1.050 349 A CA -0.748 51.342 52.037 0.089 0.000 0.694 349 A CB 1.622 20.717 19.000 0.157 0.000 1.277 349 A HN 0.923 nan 8.150 nan 0.000 0.400 350 R N 1.153 121.672 120.500 0.031 0.000 2.476 350 R HA 0.733 5.069 4.340 -0.006 0.000 0.305 350 R C -0.977 175.271 176.300 -0.087 0.000 0.965 350 R CA 0.106 56.225 56.100 0.032 0.000 0.867 350 R CB 1.844 32.152 30.300 0.014 0.000 1.176 350 R HN 0.917 nan 8.270 nan 0.000 0.447 351 T N 1.801 116.281 114.554 -0.123 0.000 2.769 351 T HA 0.295 4.641 4.350 -0.006 0.000 0.306 351 T C -1.084 173.587 174.700 -0.048 0.000 1.400 351 T CA -0.481 61.502 62.100 -0.194 0.000 1.007 351 T CB 1.299 69.907 68.868 -0.433 0.000 1.392 351 T HN 0.207 nan 8.240 nan 0.000 0.500 352 V N 3.546 123.445 119.914 -0.026 0.000 2.715 352 V HA 0.355 4.471 4.120 -0.006 0.000 0.299 352 V C 0.722 176.904 176.094 0.147 0.000 1.054 352 V CA -0.253 62.084 62.300 0.061 0.000 1.077 352 V CB 0.078 31.927 31.823 0.044 0.000 0.972 352 V HN 0.722 nan 8.190 nan 0.000 0.484 353 I N 1.997 122.704 120.570 0.228 0.000 2.488 353 I HA 0.835 5.001 4.170 -0.006 0.000 0.299 353 I C 0.170 176.505 176.117 0.363 0.000 0.984 353 I CA -0.142 61.361 61.300 0.338 0.000 1.250 353 I CB 1.796 39.999 38.000 0.339 0.000 1.389 353 I HN 0.672 nan 8.210 nan 0.000 0.488 354 S N 2.584 118.434 115.700 0.249 0.000 2.549 354 S HA 0.757 5.223 4.470 -0.006 0.000 0.280 354 S C -0.242 174.240 174.600 -0.198 0.000 1.109 354 S CA -0.724 57.403 58.200 -0.123 0.000 0.905 354 S CB 1.325 64.451 63.200 -0.123 0.000 1.081 354 S HN 1.111 nan 8.310 nan 0.000 0.477 355 G N 0.477 108.833 108.800 -0.739 0.000 2.370 355 G HA2 0.478 4.435 3.960 -0.006 0.000 0.272 355 G HA3 0.478 4.435 3.960 -0.006 0.000 0.272 355 G C -1.187 173.637 174.900 -0.127 0.000 1.208 355 G CA -0.176 44.742 45.100 -0.303 0.000 0.856 355 G HN 0.687 nan 8.290 nan 0.000 0.500 356 D N 2.038 122.439 120.400 0.001 0.000 2.505 356 D HA 0.345 4.981 4.640 -0.006 0.000 0.250 356 D C -1.680 174.653 176.300 0.055 0.000 1.164 356 D CA -2.115 51.897 54.000 0.019 0.000 0.870 356 D CB 2.524 43.344 40.800 0.034 0.000 1.160 356 D HN 0.126 nan 8.370 nan 0.000 0.549 357 P HA 0.099 nan 4.420 nan 0.000 0.253 357 P C 0.107 177.469 177.300 0.103 0.000 1.281 357 P CA 0.221 63.368 63.100 0.077 0.000 0.792 357 P CB 0.592 32.328 31.700 0.062 0.000 1.193 358 N N -0.836 117.927 118.700 0.105 0.000 2.382 358 N HA 0.134 4.870 4.740 -0.006 0.000 0.200 358 N C 0.704 176.273 175.510 0.097 0.000 1.122 358 N CA 0.057 53.186 53.050 0.130 0.000 0.870 358 N CB -0.074 38.500 38.487 0.145 0.000 1.176 358 N HN 0.149 nan 8.380 nan 0.000 0.474 359 L N 2.078 123.346 121.223 0.075 0.000 2.456 359 L HA 0.060 4.396 4.340 -0.006 0.000 0.272 359 L C 0.750 177.655 176.870 0.058 0.000 1.189 359 L CA -0.184 54.690 54.840 0.056 0.000 0.846 359 L CB 0.515 42.600 42.059 0.044 0.000 1.111 359 L HN 0.017 nan 8.230 nan 0.000 0.475 360 E N 1.734 121.960 120.200 0.043 0.000 2.422 360 E HA -0.073 4.273 4.350 -0.006 0.000 0.260 360 E C 0.844 177.458 176.600 0.022 0.000 1.108 360 E CA -0.210 56.214 56.400 0.039 0.000 0.943 360 E CB 0.706 30.420 29.700 0.023 0.000 0.961 360 E HN 0.440 nan 8.360 nan 0.000 0.443 361 L N 2.273 123.505 121.223 0.015 0.000 2.051 361 L HA -0.287 4.049 4.340 -0.006 0.000 0.214 361 L C 1.548 178.360 176.870 -0.097 0.000 1.076 361 L CA 2.701 57.511 54.840 -0.051 0.000 0.758 361 L CB -0.491 41.514 42.059 -0.090 0.000 0.890 361 L HN 0.587 nan 8.230 nan 0.000 0.433 362 D N -2.126 118.208 120.400 -0.110 0.000 2.277 362 D HA -0.111 4.525 4.640 -0.006 0.000 0.208 362 D C 0.908 177.112 176.300 -0.161 0.000 0.962 362 D CA 0.284 54.153 54.000 -0.218 0.000 0.865 362 D CB -0.414 40.294 40.800 -0.154 0.000 0.939 362 D HN 0.467 nan 8.370 nan 0.000 0.510 363 Q N 0.059 119.845 119.800 -0.025 0.000 2.421 363 Q HA 0.328 4.664 4.340 -0.006 0.000 0.255 363 Q C -0.990 175.058 176.000 0.079 0.000 1.013 363 Q CA -0.153 55.665 55.803 0.024 0.000 0.895 363 Q CB 2.068 30.812 28.738 0.010 0.000 1.271 363 Q HN 0.097 nan 8.270 nan 0.000 0.460 364 V N 0.763 120.650 119.914 -0.046 0.000 2.709 364 V HA 0.592 4.708 4.120 -0.006 0.000 0.308 364 V C -0.469 175.520 176.094 -0.175 0.000 1.062 364 V CA -0.386 61.737 62.300 -0.296 0.000 0.901 364 V CB 2.015 33.368 31.823 -0.784 0.000 1.003 364 V HN 0.850 nan 8.190 nan 0.000 0.425 365 G N 5.679 114.410 108.800 -0.116 0.000 2.807 365 G HA2 0.470 4.427 3.960 -0.006 0.000 0.316 365 G HA3 0.470 4.427 3.960 -0.006 0.000 0.316 365 G C -0.455 174.534 174.900 0.148 0.000 0.900 365 G CA -0.199 44.916 45.100 0.026 0.000 1.499 365 G HN 0.715 nan 8.290 nan 0.000 0.484 366 V N 4.514 124.508 119.914 0.133 0.000 2.488 366 V HA 0.165 4.282 4.120 -0.006 0.000 0.277 366 V C -1.700 174.476 176.094 0.137 0.000 1.046 366 V CA -1.476 60.976 62.300 0.254 0.000 0.986 366 V CB 1.524 33.467 31.823 0.200 0.000 0.989 366 V HN 0.460 nan 8.190 nan 0.000 0.475 367 P HA 0.098 nan 4.420 nan 0.000 0.269 367 P C 0.717 178.006 177.300 -0.018 0.000 1.215 367 P CA -0.229 62.876 63.100 0.008 0.000 0.780 367 P CB 0.765 32.435 31.700 -0.051 0.000 0.898 368 K N 1.362 121.719 120.400 -0.071 0.000 2.057 368 K HA -0.160 4.156 4.320 -0.006 0.000 0.207 368 K C 2.052 178.633 176.600 -0.030 0.000 1.049 368 K CA 1.805 58.024 56.287 -0.114 0.000 0.931 368 K CB -0.418 31.984 32.500 -0.164 0.000 0.714 368 K HN 0.339 nan 8.250 nan 0.000 0.440 369 S N 0.584 116.267 115.700 -0.029 0.000 2.368 369 S HA -0.108 4.358 4.470 -0.006 0.000 0.225 369 S C 1.885 176.487 174.600 0.003 0.000 1.030 369 S CA 1.152 59.346 58.200 -0.009 0.000 0.999 369 S CB -0.207 62.975 63.200 -0.029 0.000 0.844 369 S HN 0.322 nan 8.310 nan 0.000 0.459 370 I N 1.415 121.983 120.570 -0.003 0.000 2.252 370 I HA -0.101 4.065 4.170 -0.006 0.000 0.245 370 I C 2.752 178.904 176.117 0.058 0.000 1.102 370 I CA 1.054 62.364 61.300 0.016 0.000 1.385 370 I CB -0.472 37.534 38.000 0.010 0.000 1.064 370 I HN 0.376 nan 8.210 nan 0.000 0.414 371 A N 0.477 123.350 122.820 0.088 0.000 2.015 371 A HA -0.182 4.134 4.320 -0.006 0.000 0.219 371 A C 2.272 179.937 177.584 0.135 0.000 1.163 371 A CA 1.350 53.475 52.037 0.147 0.000 0.646 371 A CB -0.362 18.760 19.000 0.203 0.000 0.806 371 A HN 0.313 nan 8.150 nan 0.000 0.448 372 K N -0.945 119.528 120.400 0.122 0.000 2.155 372 K HA -0.057 4.259 4.320 -0.006 0.000 0.203 372 K C 1.794 178.273 176.600 -0.202 0.000 1.052 372 K CA 1.658 57.983 56.287 0.063 0.000 0.948 372 K CB -0.107 32.498 32.500 0.176 0.000 0.728 372 K HN 0.524 nan 8.250 nan 0.000 0.448 373 T N 1.210 115.714 114.554 -0.084 0.000 2.939 373 T HA 0.103 4.450 4.350 -0.006 0.000 0.254 373 T C 0.909 175.576 174.700 -0.055 0.000 1.041 373 T CA 0.157 62.216 62.100 -0.068 0.000 1.142 373 T CB 0.077 68.926 68.868 -0.031 0.000 0.874 373 T HN -0.005 nan 8.240 nan 0.000 0.452 374 L N 2.578 123.799 121.223 -0.004 0.000 2.456 374 L HA 0.263 4.599 4.340 -0.006 0.000 0.272 374 L C -0.109 176.831 176.870 0.116 0.000 1.189 374 L CA 0.131 55.028 54.840 0.095 0.000 0.846 374 L CB 0.348 42.492 42.059 0.141 0.000 1.111 374 L HN 0.173 nan 8.230 nan 0.000 0.475 375 T N 1.586 116.311 114.554 0.286 0.000 2.886 375 T HA 0.373 4.719 4.350 -0.006 0.000 0.292 375 T C -1.244 173.613 174.700 0.261 0.000 1.012 375 T CA -0.539 61.729 62.100 0.279 0.000 0.982 375 T CB 1.585 70.646 68.868 0.321 0.000 1.018 375 T HN 0.321 nan 8.240 nan 0.000 0.451 376 Y N 4.056 124.395 120.300 0.064 0.000 2.364 376 Y HA 0.518 5.063 4.550 -0.007 0.000 0.340 376 Y C -2.692 173.203 175.900 -0.008 0.000 0.975 376 Y CA -2.664 55.419 58.100 -0.028 0.000 1.089 376 Y CB 2.069 40.529 38.460 -0.000 0.000 1.192 376 Y HN 0.339 nan 8.280 nan 0.000 0.454 377 P HA 0.186 nan 4.420 nan 0.000 0.288 377 P C -1.080 175.982 177.300 -0.396 0.000 1.363 377 P CA -0.060 62.810 63.100 -0.383 0.000 0.837 377 P CB 0.976 32.456 31.700 -0.368 0.000 0.981 378 E N 2.252 122.450 120.200 -0.004 0.000 2.222 378 E HA 0.400 4.746 4.350 -0.006 0.000 0.272 378 E C -0.750 175.906 176.600 0.093 0.000 0.982 378 E CA -1.036 55.455 56.400 0.153 0.000 0.842 378 E CB 1.268 31.128 29.700 0.266 0.000 1.144 378 E HN 0.094 nan 8.360 nan 0.000 0.397 379 V N 3.050 123.027 119.914 0.105 0.000 2.481 379 V HA 0.167 4.283 4.120 -0.006 0.000 0.286 379 V C -0.073 176.070 176.094 0.082 0.000 1.042 379 V CA -0.912 61.443 62.300 0.092 0.000 0.928 379 V CB 1.490 33.365 31.823 0.086 0.000 0.986 379 V HN 0.480 nan 8.190 nan 0.000 0.462 380 V N 4.822 124.780 119.914 0.074 0.000 2.425 380 V HA 0.227 4.343 4.120 -0.006 0.000 0.276 380 V C 0.520 176.578 176.094 -0.059 0.000 1.017 380 V CA 0.469 62.765 62.300 -0.007 0.000 1.062 380 V CB 0.070 31.873 31.823 -0.033 0.000 0.997 380 V HN 1.085 nan 8.190 nan 0.000 0.476 381 T N 7.266 121.763 114.554 -0.095 0.000 2.893 381 T HA 0.376 4.722 4.350 -0.006 0.000 0.293 381 T C -2.006 172.540 174.700 -0.257 0.000 1.027 381 T CA -1.474 60.538 62.100 -0.148 0.000 0.988 381 T CB 2.099 70.930 68.868 -0.061 0.000 1.043 381 T HN 0.374 nan 8.240 nan 0.000 0.461 382 P HA -0.092 nan 4.420 nan 0.000 0.231 382 P C 0.268 177.451 177.300 -0.196 0.000 1.154 382 P CA 1.063 64.035 63.100 -0.214 0.000 0.762 382 P CB -0.249 31.394 31.700 -0.095 0.000 0.790 383 Y N 0.404 120.723 120.300 0.032 0.000 2.509 383 Y HA 0.091 4.637 4.550 -0.007 0.000 0.270 383 Y C 1.479 177.380 175.900 0.002 0.000 1.103 383 Y CA 0.031 58.143 58.100 0.020 0.000 1.278 383 Y CB -0.229 38.246 38.460 0.025 0.000 1.087 383 Y HN 0.116 nan 8.280 nan 0.000 0.542 384 N N -0.870 117.880 118.700 0.083 0.000 2.301 384 N HA 0.102 4.838 4.740 -0.006 0.000 0.247 384 N C 0.331 175.829 175.510 -0.019 0.000 1.347 384 N CA -0.107 52.969 53.050 0.044 0.000 0.844 384 N CB -1.096 37.434 38.487 0.072 0.000 1.332 384 N HN 0.258 nan 8.380 nan 0.000 0.494 385 I N 0.517 121.040 120.570 -0.079 0.000 2.179 385 I HA -0.245 3.921 4.170 -0.006 0.000 0.242 385 I C 1.097 177.168 176.117 -0.077 0.000 1.088 385 I CA 1.530 62.752 61.300 -0.130 0.000 1.357 385 I CB -0.118 37.740 38.000 -0.236 0.000 1.051 385 I HN 0.020 nan 8.210 nan 0.000 0.409 386 D N 0.348 120.717 120.400 -0.051 0.000 2.149 386 D HA -0.201 4.435 4.640 -0.006 0.000 0.198 386 D C 2.225 178.512 176.300 -0.021 0.000 0.990 386 D CA 1.040 55.021 54.000 -0.032 0.000 0.839 386 D CB -0.262 40.528 40.800 -0.017 0.000 0.948 386 D HN 0.187 nan 8.370 nan 0.000 0.460 387 R N -0.222 120.271 120.500 -0.011 0.000 2.148 387 R HA 0.045 4.381 4.340 -0.006 0.000 0.223 387 R C 1.897 178.194 176.300 -0.005 0.000 1.088 387 R CA 0.622 56.719 56.100 -0.004 0.000 0.985 387 R CB 0.010 30.316 30.300 0.010 0.000 0.880 387 R HN 0.205 nan 8.270 nan 0.000 0.451 388 L N -1.207 120.012 121.223 -0.006 0.000 2.221 388 L HA 0.011 4.347 4.340 -0.006 0.000 0.202 388 L C 2.134 179.003 176.870 -0.002 0.000 1.074 388 L CA 0.923 55.767 54.840 0.006 0.000 0.795 388 L CB -0.147 41.921 42.059 0.015 0.000 0.960 388 L HN 0.152 nan 8.230 nan 0.000 0.458 389 T N -0.982 113.560 114.554 -0.021 0.000 2.720 389 T HA -0.281 4.065 4.350 -0.006 0.000 0.268 389 T C 1.744 176.433 174.700 -0.018 0.000 1.037 389 T CA 1.607 63.694 62.100 -0.022 0.000 1.144 389 T CB -0.186 68.657 68.868 -0.041 0.000 0.864 389 T HN 0.161 nan 8.240 nan 0.000 0.444 390 Q N 0.627 120.413 119.800 -0.023 0.000 2.119 390 Q HA 0.013 4.350 4.340 -0.006 0.000 0.201 390 Q C 2.053 178.032 176.000 -0.033 0.000 0.972 390 Q CA 1.193 56.980 55.803 -0.027 0.000 0.847 390 Q CB -0.685 28.037 28.738 -0.027 0.000 0.903 390 Q HN 0.414 nan 8.270 nan 0.000 0.433 391 L N -0.881 120.324 121.223 -0.031 0.000 2.093 391 L HA -0.091 4.245 4.340 -0.006 0.000 0.208 391 L C 2.142 178.991 176.870 -0.035 0.000 1.085 391 L CA 1.103 55.917 54.840 -0.044 0.000 0.755 391 L CB -0.405 41.638 42.059 -0.027 0.000 0.904 391 L HN 0.129 nan 8.230 nan 0.000 0.435 392 V N -0.604 119.306 119.914 -0.006 0.000 2.343 392 V HA -0.281 3.835 4.120 -0.006 0.000 0.247 392 V C 2.613 178.701 176.094 -0.010 0.000 1.051 392 V CA 1.781 64.085 62.300 0.007 0.000 1.036 392 V CB -0.623 31.219 31.823 0.031 0.000 0.654 392 V HN 0.412 nan 8.190 nan 0.000 0.451 393 R N 0.207 120.697 120.500 -0.016 0.000 2.120 393 R HA -0.132 4.204 4.340 -0.006 0.000 0.234 393 R C 2.083 178.362 176.300 -0.033 0.000 1.123 393 R CA 1.681 57.768 56.100 -0.021 0.000 0.975 393 R CB -0.467 29.821 30.300 -0.020 0.000 0.866 393 R HN 0.658 nan 8.270 nan 0.000 0.446 394 N N -0.123 118.549 118.700 -0.048 0.000 2.364 394 N HA -0.060 4.676 4.740 -0.006 0.000 0.183 394 N C 0.702 176.168 175.510 -0.074 0.000 1.022 394 N CA 0.380 53.390 53.050 -0.066 0.000 0.883 394 N CB 0.138 38.569 38.487 -0.094 0.000 0.965 394 N HN 0.274 nan 8.380 nan 0.000 0.438 395 G N 0.611 109.371 108.800 -0.066 0.000 2.795 395 G HA2 -0.173 3.783 3.960 -0.006 0.000 0.664 395 G HA3 -0.173 3.783 3.960 -0.006 0.000 0.664 395 G C -2.408 172.453 174.900 -0.066 0.000 1.381 395 G CA -0.611 44.456 45.100 -0.055 0.000 0.853 395 G HN 0.035 nan 8.290 nan 0.000 0.545 396 P HA 0.122 nan 4.420 nan 0.000 0.257 396 P C 0.852 178.208 177.300 0.094 0.000 1.281 396 P CA 0.423 63.590 63.100 0.112 0.000 0.826 396 P CB 0.216 31.974 31.700 0.096 0.000 1.237 397 N N 0.065 118.769 118.700 0.006 0.000 2.511 397 N HA 0.026 4.762 4.740 -0.006 0.000 0.190 397 N C 0.621 176.135 175.510 0.006 0.000 1.037 397 N CA 0.429 53.487 53.050 0.013 0.000 0.895 397 N CB -0.297 38.181 38.487 -0.015 0.000 1.149 397 N HN 0.213 nan 8.380 nan 0.000 0.437 398 E N 1.251 121.431 120.200 -0.034 0.000 2.384 398 E HA -0.076 4.271 4.350 -0.006 0.000 0.266 398 E C 0.917 177.475 176.600 -0.071 0.000 1.012 398 E CA 0.039 56.419 56.400 -0.034 0.000 0.901 398 E CB 0.999 30.669 29.700 -0.050 0.000 0.967 398 E HN 0.385 nan 8.360 nan 0.000 0.435 399 H N 4.703 123.716 119.070 -0.096 0.000 2.257 399 H HA -0.105 4.446 4.556 -0.008 0.000 0.292 399 H C -1.166 174.029 175.328 -0.221 0.000 1.075 399 H CA 0.769 56.758 56.048 -0.099 0.000 1.212 399 H CB -0.681 29.065 29.762 -0.027 0.000 1.354 399 H HN 0.296 nan 8.280 nan 0.000 0.497 400 P HA 0.185 nan 4.420 nan 0.000 0.263 400 P C -0.525 176.538 177.300 -0.394 0.000 1.601 400 P CA 0.456 63.203 63.100 -0.587 0.000 1.161 400 P CB 0.627 32.109 31.700 -0.364 0.000 1.730 401 G N 1.202 109.678 108.800 -0.541 0.000 2.846 401 G HA2 0.802 4.758 3.960 -0.006 0.000 0.299 401 G HA3 0.802 4.758 3.960 -0.006 0.000 0.299 401 G C -1.850 172.950 174.900 -0.166 0.000 1.242 401 G CA -0.523 44.346 45.100 -0.386 0.000 0.800 401 G HN 0.431 nan 8.290 nan 0.000 0.538 402 A N -1.116 121.719 122.820 0.024 0.000 2.587 402 A HA 0.726 5.042 4.320 -0.006 0.000 0.293 402 A C 0.079 177.788 177.584 0.210 0.000 1.087 402 A CA 0.125 52.306 52.037 0.239 0.000 0.692 402 A CB 1.677 20.767 19.000 0.149 0.000 1.291 402 A HN 1.016 nan 8.150 nan 0.000 0.407 403 K N -0.698 119.838 120.400 0.227 0.000 2.425 403 K HA 0.393 4.709 4.320 -0.006 0.000 0.201 403 K C -0.866 175.693 176.600 -0.068 0.000 1.128 403 K CA 0.233 56.580 56.287 0.100 0.000 1.000 403 K CB 0.513 33.105 32.500 0.154 0.000 0.961 403 K HN 0.486 nan 8.250 nan 0.000 0.555 404 Y N 0.421 120.771 120.300 0.083 0.000 2.534 404 Y HA 0.461 5.010 4.550 -0.001 0.000 0.345 404 Y C -1.172 174.762 175.900 0.057 0.000 1.031 404 Y CA -1.120 57.017 58.100 0.062 0.000 1.022 404 Y CB 2.775 41.269 38.460 0.056 0.000 1.292 404 Y HN -0.316 nan 8.280 nan 0.000 0.459 405 V N 5.046 125.076 119.914 0.193 0.000 2.443 405 V HA 0.449 4.565 4.120 -0.006 0.000 0.293 405 V C -0.583 175.532 176.094 0.035 0.000 1.021 405 V CA -0.775 61.600 62.300 0.124 0.000 0.848 405 V CB 1.478 33.374 31.823 0.122 0.000 0.998 405 V HN 0.533 nan 8.190 nan 0.000 0.424 406 I N 5.105 125.664 120.570 -0.018 0.000 2.336 406 I HA 0.522 4.688 4.170 -0.006 0.000 0.292 406 I C 0.707 176.572 176.117 -0.421 0.000 0.991 406 I CA -0.451 60.759 61.300 -0.150 0.000 1.227 406 I CB 1.233 39.185 38.000 -0.081 0.000 1.366 406 I HN 0.535 nan 8.210 nan 0.000 0.466 407 R N 2.922 122.990 120.500 -0.720 0.000 2.584 407 R HA 0.141 4.477 4.340 -0.006 0.000 0.253 407 R C 0.842 176.664 176.300 -0.797 0.000 1.251 407 R CA -0.518 54.693 56.100 -1.481 0.000 1.129 407 R CB 0.363 29.918 30.300 -1.242 0.000 1.239 407 R HN 0.673 nan 8.270 nan 0.000 0.595 408 D N -0.165 119.888 120.400 -0.579 0.000 2.117 408 D HA -0.142 4.495 4.640 -0.006 0.000 0.197 408 D C 0.489 176.748 176.300 -0.069 0.000 0.987 408 D CA 0.944 54.917 54.000 -0.044 0.000 0.829 408 D CB -0.351 40.584 40.800 0.224 0.000 0.961 408 D HN 0.374 nan 8.370 nan 0.000 0.460 409 S N -0.668 114.969 115.700 -0.105 0.000 2.614 409 S HA 0.479 4.945 4.470 -0.006 0.000 0.265 409 S C 1.083 175.620 174.600 -0.105 0.000 1.303 409 S CA -0.545 57.609 58.200 -0.076 0.000 1.000 409 S CB 1.261 64.428 63.200 -0.056 0.000 0.935 409 S HN 0.324 nan 8.310 nan 0.000 0.551 410 G N 0.967 109.731 108.800 -0.060 0.000 2.843 410 G HA2 0.263 4.219 3.960 -0.006 0.000 0.275 410 G HA3 0.263 4.219 3.960 -0.006 0.000 0.275 410 G C -0.560 174.302 174.900 -0.063 0.000 0.709 410 G CA -0.223 44.844 45.100 -0.055 0.000 2.089 410 G HN 0.708 nan 8.290 nan 0.000 0.571 411 D N 0.453 120.792 120.400 -0.103 0.000 2.646 411 D HA 0.373 5.009 4.640 -0.006 0.000 0.245 411 D C -0.166 176.087 176.300 -0.078 0.000 1.099 411 D CA -0.590 53.355 54.000 -0.092 0.000 0.849 411 D CB 1.598 42.323 40.800 -0.125 0.000 1.448 411 D HN 0.038 nan 8.370 nan 0.000 0.489 412 R N 3.010 123.505 120.500 -0.008 0.000 2.460 412 R HA 0.532 4.868 4.340 -0.006 0.000 0.303 412 R C -0.426 175.932 176.300 0.096 0.000 0.968 412 R CA -0.699 55.453 56.100 0.087 0.000 0.889 412 R CB 1.462 31.853 30.300 0.152 0.000 1.123 412 R HN 0.464 nan 8.270 nan 0.000 0.455 413 I N 2.002 122.646 120.570 0.122 0.000 2.390 413 I HA 0.091 4.257 4.170 -0.006 0.000 0.283 413 I C -0.146 175.918 176.117 -0.089 0.000 1.016 413 I CA -0.629 60.691 61.300 0.032 0.000 1.151 413 I CB 1.625 39.628 38.000 0.006 0.000 1.293 413 I HN 0.232 nan 8.210 nan 0.000 0.458 414 D N 6.712 127.025 120.400 -0.144 0.000 2.402 414 D HA 0.165 4.802 4.640 -0.006 0.000 0.235 414 D C 1.046 177.215 176.300 -0.219 0.000 1.226 414 D CA 0.160 53.926 54.000 -0.389 0.000 0.918 414 D CB 1.000 41.741 40.800 -0.098 0.000 1.043 414 D HN 0.472 nan 8.370 nan 0.000 0.506 415 L N 3.575 124.625 121.223 -0.287 0.000 2.131 415 L HA -0.167 4.170 4.340 -0.006 0.000 0.210 415 L C 2.546 179.334 176.870 -0.137 0.000 1.092 415 L CA 0.878 55.632 54.840 -0.144 0.000 0.759 415 L CB -0.201 41.795 42.059 -0.105 0.000 0.903 415 L HN 0.416 nan 8.230 nan 0.000 0.435 416 R N -1.193 119.178 120.500 -0.214 0.000 2.148 416 R HA -0.150 4.186 4.340 -0.006 0.000 0.227 416 R C 1.146 177.207 176.300 -0.398 0.000 1.103 416 R CA 1.141 57.060 56.100 -0.302 0.000 0.983 416 R CB -0.368 29.700 30.300 -0.388 0.000 0.874 416 R HN 0.224 nan 8.270 nan 0.000 0.451 417 Y N 0.813 121.067 120.300 -0.077 0.000 2.776 417 Y HA 0.276 4.824 4.550 -0.004 0.000 0.151 417 Y C 1.316 177.189 175.900 -0.046 0.000 0.896 417 Y CA 0.354 58.423 58.100 -0.051 0.000 1.592 417 Y CB -0.644 37.789 38.460 -0.046 0.000 1.111 417 Y HN 0.183 nan 8.280 nan 0.000 0.408 418 S N -0.455 115.345 115.700 0.165 0.000 3.460 418 S HA -0.324 4.142 4.470 -0.006 0.000 0.637 418 S C 0.697 175.332 174.600 0.057 0.000 2.505 418 S CA 1.297 59.539 58.200 0.070 0.000 2.686 418 S CB -0.809 62.410 63.200 0.032 0.000 0.330 418 S HN 0.664 nan 8.310 nan 0.000 1.795 419 K N 0.043 120.465 120.400 0.037 0.000 2.504 419 K HA 0.329 4.645 4.320 -0.006 0.000 0.203 419 K C 1.402 178.017 176.600 0.025 0.000 1.350 419 K CA -0.071 56.234 56.287 0.030 0.000 0.953 419 K CB 0.208 32.723 32.500 0.025 0.000 1.243 419 K HN 0.464 nan 8.250 nan 0.000 0.534 420 R N 0.431 120.947 120.500 0.027 0.000 2.935 420 R HA 0.295 4.632 4.340 -0.006 0.000 0.354 420 R C 0.548 176.864 176.300 0.027 0.000 1.206 420 R CA 0.055 56.171 56.100 0.027 0.000 1.082 420 R CB 0.683 31.004 30.300 0.035 0.000 1.431 420 R HN 0.164 nan 8.270 nan 0.000 0.582 421 A N -0.459 122.372 122.820 0.018 0.000 1.969 421 A HA -0.027 4.290 4.320 -0.006 0.000 0.218 421 A C 1.939 179.528 177.584 0.008 0.000 1.169 421 A CA 1.567 53.609 52.037 0.009 0.000 0.635 421 A CB -0.308 18.688 19.000 -0.007 0.000 0.810 421 A HN 0.536 nan 8.150 nan 0.000 0.445 422 G N -0.734 108.069 108.800 0.006 0.000 2.448 422 G HA2 -0.051 3.906 3.960 -0.006 0.000 0.218 422 G HA3 -0.051 3.906 3.960 -0.006 0.000 0.218 422 G C 1.043 175.947 174.900 0.007 0.000 1.135 422 G CA 1.120 46.221 45.100 0.002 0.000 0.784 422 G HN 0.506 nan 8.290 nan 0.000 0.543 423 D N -0.298 120.111 120.400 0.015 0.000 2.166 423 D HA 0.261 4.897 4.640 -0.006 0.000 0.295 423 D C 0.738 177.054 176.300 0.026 0.000 1.145 423 D CA -0.268 53.742 54.000 0.017 0.000 0.901 423 D CB 0.023 40.835 40.800 0.020 0.000 0.957 423 D HN 0.082 nan 8.370 nan 0.000 0.301 424 I N 0.038 120.632 120.570 0.041 0.000 8.603 424 I HA -0.247 3.919 4.170 -0.006 0.000 0.126 424 I C -0.786 175.345 176.117 0.024 0.000 1.853 424 I CA 0.198 61.537 61.300 0.065 0.000 2.050 424 I CB -0.417 37.647 38.000 0.106 0.000 3.850 424 I HN 0.346 nan 8.210 nan 0.000 0.173 425 Q N 6.763 126.558 119.800 -0.008 0.000 2.390 425 Q HA 0.534 4.870 4.340 -0.006 0.000 0.249 425 Q C -0.418 175.472 176.000 -0.183 0.000 0.996 425 Q CA -0.776 54.979 55.803 -0.080 0.000 0.899 425 Q CB 1.421 30.107 28.738 -0.086 0.000 1.216 425 Q HN 0.437 nan 8.270 nan 0.000 0.465 426 L N 2.982 124.103 121.223 -0.170 0.000 2.499 426 L HA 0.018 4.354 4.340 -0.006 0.000 0.273 426 L C 0.472 177.048 176.870 -0.490 0.000 1.195 426 L CA 0.250 54.938 54.840 -0.253 0.000 0.882 426 L CB 0.242 42.233 42.059 -0.115 0.000 1.133 426 L HN 0.403 nan 8.230 nan 0.000 0.483 427 Q N 2.426 121.705 119.800 -0.869 0.000 2.274 427 Q HA 0.301 4.637 4.340 -0.006 0.000 0.260 427 Q C -1.003 174.672 176.000 -0.542 0.000 0.974 427 Q CA -0.867 54.416 55.803 -0.866 0.000 0.876 427 Q CB 1.758 29.652 28.738 -1.406 0.000 1.297 427 Q HN 0.293 nan 8.270 nan 0.000 0.446 428 Y N 0.312 120.426 120.300 -0.310 0.000 2.802 428 Y HA 0.105 4.652 4.550 -0.005 0.000 0.333 428 Y C 1.600 177.456 175.900 -0.073 0.000 1.244 428 Y CA 2.079 60.085 58.100 -0.158 0.000 1.558 428 Y CB 0.106 38.489 38.460 -0.129 0.000 1.233 428 Y HN 0.958 nan 8.280 nan 0.000 0.547 429 G N 0.961 109.846 108.800 0.142 0.000 2.254 429 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.225 429 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.225 429 G C -0.017 175.064 174.900 0.302 0.000 1.003 429 G CA -0.527 44.691 45.100 0.196 0.000 0.622 429 G HN 0.501 nan 8.290 nan 0.000 0.507 430 W N 1.364 122.676 121.300 0.021 0.000 2.079 430 W HA 0.649 5.303 4.660 -0.009 0.000 0.354 430 W C 0.818 177.343 176.519 0.011 0.000 1.302 430 W CA -0.258 57.096 57.345 0.015 0.000 1.281 430 W CB 0.310 29.776 29.460 0.010 0.000 1.165 430 W HN 0.034 nan 8.180 nan 0.000 0.603 431 K N 1.068 121.584 120.400 0.193 0.000 2.358 431 K HA 0.462 4.778 4.320 -0.006 0.000 0.260 431 K C -1.242 175.423 176.600 0.109 0.000 0.956 431 K CA -0.688 55.661 56.287 0.104 0.000 0.834 431 K CB 1.643 34.160 32.500 0.028 0.000 1.102 431 K HN 0.043 nan 8.250 nan 0.000 0.431 432 V N 3.541 123.527 119.914 0.119 0.000 2.328 432 V HA 0.142 4.258 4.120 -0.006 0.000 0.278 432 V C -0.105 176.064 176.094 0.125 0.000 1.021 432 V CA -0.747 61.632 62.300 0.132 0.000 0.838 432 V CB 1.133 33.036 31.823 0.134 0.000 0.999 432 V HN 0.711 nan 8.190 nan 0.000 0.447 433 E N 5.746 126.033 120.200 0.145 0.000 2.166 433 E HA 0.271 4.617 4.350 -0.006 0.000 0.279 433 E C 0.175 176.901 176.600 0.209 0.000 1.095 433 E CA -0.223 56.270 56.400 0.155 0.000 0.888 433 E CB 0.791 30.594 29.700 0.171 0.000 1.041 433 E HN 0.679 nan 8.360 nan 0.000 0.414 434 R N 2.198 122.829 120.500 0.219 0.000 2.875 434 R HA 0.418 4.754 4.340 -0.006 0.000 0.251 434 R C -0.326 176.144 176.300 0.282 0.000 1.123 434 R CA -0.811 55.442 56.100 0.254 0.000 1.064 434 R CB 0.666 31.089 30.300 0.205 0.000 1.205 434 R HN 0.343 nan 8.270 nan 0.000 0.503 435 H N 0.035 119.170 119.070 0.108 0.000 2.730 435 H HA 0.149 4.701 4.556 -0.006 0.000 0.376 435 H C 0.107 175.504 175.328 0.114 0.000 1.299 435 H CA -0.070 56.044 56.048 0.110 0.000 1.447 435 H CB 0.500 30.296 29.762 0.057 0.000 1.493 435 H HN 0.316 nan 8.280 nan 0.000 0.619 436 I N 2.711 123.420 120.570 0.231 0.000 2.421 436 I HA -0.027 4.139 4.170 -0.006 0.000 0.291 436 I C 0.418 176.639 176.117 0.173 0.000 1.089 436 I CA 0.189 61.592 61.300 0.172 0.000 1.354 436 I CB -0.711 37.384 38.000 0.160 0.000 1.413 436 I HN 0.390 nan 8.210 nan 0.000 0.513 437 M N 3.942 123.596 119.600 0.089 0.000 2.267 437 M HA 0.214 4.690 4.480 -0.006 0.000 0.303 437 M C 0.041 176.376 176.300 0.059 0.000 1.164 437 M CA -0.595 54.740 55.300 0.059 0.000 1.060 437 M CB 0.498 33.100 32.600 0.003 0.000 1.455 437 M HN 0.339 nan 8.290 nan 0.000 0.483 438 D N 1.582 122.017 120.400 0.058 0.000 2.414 438 D HA 0.112 4.749 4.640 -0.006 0.000 0.242 438 D C 0.046 176.349 176.300 0.006 0.000 1.129 438 D CA 0.851 54.875 54.000 0.040 0.000 0.885 438 D CB 0.165 40.991 40.800 0.043 0.000 1.198 438 D HN 0.455 nan 8.370 nan 0.000 0.437 439 N N 0.945 119.644 118.700 -0.001 0.000 2.815 439 N HA -0.161 4.575 4.740 -0.006 0.000 0.248 439 N C -1.411 174.075 175.510 -0.040 0.000 1.110 439 N CA 0.522 53.561 53.050 -0.019 0.000 0.699 439 N CB -1.200 37.274 38.487 -0.021 0.000 1.040 439 N HN 0.402 nan 8.380 nan 0.000 0.555 440 D N 0.838 121.215 120.400 -0.039 0.000 2.274 440 D HA 0.275 4.911 4.640 -0.006 0.000 0.239 440 D C -2.141 174.137 176.300 -0.037 0.000 1.104 440 D CA -1.306 52.650 54.000 -0.073 0.000 0.840 440 D CB 0.894 41.644 40.800 -0.083 0.000 1.100 440 D HN 0.078 nan 8.370 nan 0.000 0.477 441 P HA 0.014 nan 4.420 nan 0.000 0.267 441 P C -0.579 176.744 177.300 0.039 0.000 1.209 441 P CA -0.236 62.865 63.100 0.002 0.000 0.763 441 P CB 0.609 32.307 31.700 -0.004 0.000 0.816 442 V N 2.161 122.119 119.914 0.073 0.000 2.841 442 V HA 0.405 4.521 4.120 -0.006 0.000 0.310 442 V C -0.455 175.741 176.094 0.170 0.000 1.090 442 V CA -1.223 61.145 62.300 0.113 0.000 0.930 442 V CB 2.527 34.401 31.823 0.086 0.000 1.014 442 V HN 0.337 nan 8.190 nan 0.000 0.425 443 L N 4.296 125.639 121.223 0.199 0.000 2.313 443 L HA 0.539 4.875 4.340 -0.006 0.000 0.282 443 L C -1.182 175.881 176.870 0.321 0.000 1.092 443 L CA 0.173 55.146 54.840 0.222 0.000 0.831 443 L CB 0.908 43.048 42.059 0.135 0.000 1.159 443 L HN 0.866 nan 8.230 nan 0.000 0.442 444 F N 5.668 125.688 119.950 0.118 0.000 2.467 444 F HA 0.448 4.971 4.527 -0.007 0.000 0.336 444 F C -0.228 175.687 175.800 0.192 0.000 1.123 444 F CA -0.868 57.147 58.000 0.025 0.000 0.964 444 F CB 1.405 40.252 39.000 -0.255 0.000 1.136 444 F HN 0.566 nan 8.300 nan 0.000 0.447 445 N N 3.572 122.112 118.700 -0.267 0.000 2.225 445 N HA 0.428 5.164 4.740 -0.006 0.000 0.298 445 N C -1.815 173.578 175.510 -0.195 0.000 1.076 445 N CA -0.630 52.377 53.050 -0.072 0.000 0.792 445 N CB 1.660 40.161 38.487 0.024 0.000 1.498 445 N HN 0.531 nan 8.380 nan 0.000 0.474 446 R N 2.756 123.264 120.500 0.014 0.000 2.407 446 R HA 0.192 4.528 4.340 -0.006 0.000 0.298 446 R C -0.821 175.486 176.300 0.013 0.000 1.166 446 R CA -0.406 55.686 56.100 -0.013 0.000 1.006 446 R CB 0.390 30.725 30.300 0.058 0.000 1.145 446 R HN 0.816 nan 8.270 nan 0.000 0.538 447 Q N 4.303 124.099 119.800 -0.007 0.000 2.352 447 Q HA 0.376 4.713 4.340 -0.006 0.000 0.260 447 Q C -1.945 174.050 176.000 -0.008 0.000 0.976 447 Q CA -1.751 54.050 55.803 -0.004 0.000 0.881 447 Q CB 0.535 29.274 28.738 0.002 0.000 1.235 447 Q HN 0.249 nan 8.270 nan 0.000 0.419 448 P HA -0.016 nan 4.420 nan 0.000 0.271 448 P C -0.797 176.491 177.300 -0.021 0.000 1.220 448 P CA -0.136 62.953 63.100 -0.017 0.000 0.768 448 P CB 0.838 32.524 31.700 -0.024 0.000 0.848 449 S N 2.783 118.469 115.700 -0.023 0.000 2.409 449 S HA 0.292 4.758 4.470 -0.006 0.000 0.308 449 S C 0.765 175.334 174.600 -0.052 0.000 1.080 449 S CA -0.714 57.468 58.200 -0.030 0.000 1.081 449 S CB 0.051 63.234 63.200 -0.027 0.000 1.009 449 S HN 0.364 nan 8.310 nan 0.000 0.502 450 L N 1.835 123.010 121.223 -0.079 0.000 2.638 450 L HA 0.386 4.722 4.340 -0.006 0.000 0.232 450 L C 0.813 177.566 176.870 -0.194 0.000 1.099 450 L CA 0.148 54.898 54.840 -0.151 0.000 0.883 450 L CB -0.063 41.867 42.059 -0.214 0.000 1.136 450 L HN 0.675 nan 8.230 nan 0.000 0.492 451 H N -1.338 117.677 119.070 -0.093 0.000 2.754 451 H HA 0.209 4.761 4.556 -0.006 0.000 0.352 451 H C 0.487 175.750 175.328 -0.109 0.000 1.213 451 H CA -0.646 55.338 56.048 -0.108 0.000 1.244 451 H CB 2.089 31.774 29.762 -0.128 0.000 1.843 451 H HN -0.231 nan 8.280 nan 0.000 0.587 452 K N 0.713 121.163 120.400 0.082 0.000 2.211 452 K HA -0.061 4.255 4.320 -0.006 0.000 0.203 452 K C 0.495 177.048 176.600 -0.079 0.000 1.050 452 K CA 0.835 57.108 56.287 -0.023 0.000 0.945 452 K CB 0.242 32.718 32.500 -0.040 0.000 0.732 452 K HN 0.405 nan 8.250 nan 0.000 0.451 453 M N -0.168 119.353 119.600 -0.133 0.000 1.747 453 M HA 0.054 4.530 4.480 -0.006 0.000 0.133 453 M C 1.290 177.448 176.300 -0.237 0.000 1.070 453 M CA 0.601 55.752 55.300 -0.247 0.000 0.856 453 M CB -0.893 31.480 32.600 -0.379 0.000 0.861 453 M HN 0.078 nan 8.290 nan 0.000 0.451 454 S N -1.156 114.256 115.700 -0.480 0.000 2.616 454 S HA -0.193 4.273 4.470 -0.006 0.000 0.254 454 S C 0.353 174.820 174.600 -0.222 0.000 1.299 454 S CA 1.934 59.876 58.200 -0.429 0.000 1.553 454 S CB -1.045 62.088 63.200 -0.111 0.000 1.999 454 S HN 0.698 nan 8.310 nan 0.000 0.677 455 M N 1.223 120.724 119.600 -0.164 0.000 1.980 455 M HA 0.391 4.867 4.480 -0.006 0.000 0.282 455 M C -0.861 175.445 176.300 0.011 0.000 0.878 455 M CA 0.184 55.471 55.300 -0.021 0.000 0.900 455 M CB 0.997 33.574 32.600 -0.038 0.000 1.577 455 M HN 0.167 nan 8.290 nan 0.000 0.396 456 M N 1.393 121.087 119.600 0.156 0.000 2.664 456 M HA 0.701 5.177 4.480 -0.006 0.000 0.314 456 M C -0.126 176.354 176.300 0.299 0.000 1.200 456 M CA -0.679 54.729 55.300 0.181 0.000 0.916 456 M CB 1.972 34.702 32.600 0.218 0.000 1.717 456 M HN 0.537 nan 8.290 nan 0.000 0.470 457 A N 1.436 124.340 122.820 0.140 0.000 2.301 457 A HA 0.604 4.920 4.320 -0.006 0.000 0.298 457 A C -0.779 176.824 177.584 0.032 0.000 1.185 457 A CA -0.337 51.772 52.037 0.120 0.000 0.830 457 A CB 0.290 19.312 19.000 0.036 0.000 1.112 457 A HN 0.867 nan 8.150 nan 0.000 0.508 458 H N 1.268 120.335 119.070 -0.005 0.000 2.747 458 H HA 0.340 4.893 4.556 -0.006 0.000 0.371 458 H C -0.504 174.778 175.328 -0.078 0.000 1.161 458 H CA -0.712 55.294 56.048 -0.071 0.000 1.167 458 H CB 1.767 31.413 29.762 -0.194 0.000 1.732 458 H HN 0.710 nan 8.280 nan 0.000 0.544 459 R N 1.302 121.808 120.500 0.010 0.000 2.340 459 R HA 0.260 4.596 4.340 -0.006 0.000 0.300 459 R C -0.505 175.790 176.300 -0.009 0.000 1.069 459 R CA -0.538 55.557 56.100 -0.008 0.000 0.984 459 R CB 1.024 31.311 30.300 -0.022 0.000 1.003 459 R HN 0.200 nan 8.270 nan 0.000 0.459 460 V N 3.899 123.807 119.914 -0.009 0.000 2.546 460 V HA 0.156 4.272 4.120 -0.006 0.000 0.284 460 V C 0.209 176.309 176.094 0.010 0.000 1.050 460 V CA -0.024 62.273 62.300 -0.006 0.000 0.981 460 V CB 1.259 33.093 31.823 0.018 0.000 0.990 460 V HN 0.640 nan 8.190 nan 0.000 0.474 461 K N 4.329 124.737 120.400 0.013 0.000 2.621 461 K HA 0.423 4.739 4.320 -0.006 0.000 0.233 461 K C -1.136 175.485 176.600 0.034 0.000 0.972 461 K CA -0.554 55.749 56.287 0.027 0.000 0.988 461 K CB 1.569 34.080 32.500 0.019 0.000 1.187 461 K HN 0.499 nan 8.250 nan 0.000 0.471 462 V N 6.254 126.197 119.914 0.049 0.000 2.458 462 V HA 0.025 4.141 4.120 -0.006 0.000 0.287 462 V C 0.239 176.314 176.094 -0.032 0.000 1.009 462 V CA 0.168 62.475 62.300 0.011 0.000 1.091 462 V CB -0.769 31.051 31.823 -0.005 0.000 0.960 462 V HN 0.560 nan 8.190 nan 0.000 0.476 463 I N 4.779 125.335 120.570 -0.023 0.000 2.828 463 I HA 0.771 4.938 4.170 -0.006 0.000 0.302 463 I C -2.514 173.581 176.117 -0.036 0.000 1.101 463 I CA -2.758 58.535 61.300 -0.011 0.000 1.031 463 I CB 1.823 39.850 38.000 0.045 0.000 1.231 463 I HN 0.300 nan 8.210 nan 0.000 0.427 464 P HA 0.200 nan 4.420 nan 0.000 0.273 464 P C -1.206 176.054 177.300 -0.067 0.000 1.250 464 P CA 0.254 63.239 63.100 -0.191 0.000 0.793 464 P CB 0.127 31.608 31.700 -0.365 0.000 1.011 465 Y N -2.803 117.480 120.300 -0.030 0.000 2.521 465 Y HA -0.206 4.342 4.550 -0.004 0.000 0.021 465 Y C 1.361 177.239 175.900 -0.038 0.000 1.717 465 Y CA 0.299 58.382 58.100 -0.029 0.000 1.409 465 Y CB -2.100 36.347 38.460 -0.021 0.000 2.055 465 Y HN 0.259 nan 8.280 nan 0.000 0.256 466 S N -0.292 115.479 115.700 0.119 0.000 2.650 466 S HA 0.062 4.528 4.470 -0.006 0.000 0.219 466 S C 0.442 175.017 174.600 -0.043 0.000 0.960 466 S CA 0.539 58.742 58.200 0.006 0.000 0.925 466 S CB -0.339 62.856 63.200 -0.009 0.000 0.775 466 S HN 0.636 nan 8.310 nan 0.000 0.525 467 T N -0.369 114.194 114.554 0.014 0.000 2.902 467 T HA 0.583 4.929 4.350 -0.006 0.000 0.283 467 T C -0.155 174.595 174.700 0.083 0.000 1.009 467 T CA -0.725 61.381 62.100 0.011 0.000 1.051 467 T CB 0.619 69.514 68.868 0.046 0.000 0.999 467 T HN 0.111 nan 8.240 nan 0.000 0.474 468 F N 1.700 121.697 119.950 0.078 0.000 2.484 468 F HA 0.343 4.866 4.527 -0.006 0.000 0.360 468 F C 1.547 177.389 175.800 0.070 0.000 1.101 468 F CA -0.710 57.341 58.000 0.085 0.000 1.251 468 F CB 0.756 39.875 39.000 0.198 0.000 1.132 468 F HN 0.295 nan 8.300 nan 0.000 0.570 469 R N 4.518 125.154 120.500 0.226 0.000 2.561 469 R HA 0.664 5.000 4.340 -0.006 0.000 0.297 469 R C -1.526 174.783 176.300 0.014 0.000 0.969 469 R CA -1.026 55.140 56.100 0.110 0.000 0.879 469 R CB 2.222 32.569 30.300 0.078 0.000 1.178 469 R HN 0.533 nan 8.270 nan 0.000 0.445 470 L N -0.794 120.468 121.223 0.064 0.000 2.415 470 L HA 0.554 4.890 4.340 -0.006 0.000 0.256 470 L C -0.384 176.548 176.870 0.103 0.000 1.010 470 L CA -1.096 53.769 54.840 0.042 0.000 0.826 470 L CB 1.252 43.330 42.059 0.032 0.000 1.405 470 L HN 0.362 nan 8.230 nan 0.000 0.410 471 N N 0.640 119.397 118.700 0.094 0.000 2.492 471 N HA 0.173 4.909 4.740 -0.006 0.000 0.260 471 N C 0.688 176.270 175.510 0.121 0.000 1.215 471 N CA 0.057 53.163 53.050 0.094 0.000 0.923 471 N CB 1.143 39.665 38.487 0.058 0.000 1.092 471 N HN 0.855 nan 8.380 nan 0.000 0.448 472 L N 2.049 123.351 121.223 0.132 0.000 2.201 472 L HA -0.111 4.226 4.340 -0.006 0.000 0.212 472 L C 2.266 179.205 176.870 0.116 0.000 1.105 472 L CA 0.776 55.712 54.840 0.161 0.000 0.775 472 L CB -0.261 41.892 42.059 0.156 0.000 0.913 472 L HN 0.499 nan 8.230 nan 0.000 0.440 473 S N -1.035 114.706 115.700 0.069 0.000 2.474 473 S HA -0.081 4.385 4.470 -0.006 0.000 0.235 473 S C 1.647 176.215 174.600 -0.054 0.000 0.997 473 S CA 0.646 58.848 58.200 0.003 0.000 0.949 473 S CB 0.068 63.199 63.200 -0.115 0.000 0.766 473 S HN 0.237 nan 8.310 nan 0.000 0.517 474 V N 1.358 121.276 119.914 0.008 0.000 3.633 474 V HA 0.050 4.166 4.120 -0.006 0.000 0.283 474 V C 2.042 178.255 176.094 0.199 0.000 1.305 474 V CA 0.943 63.303 62.300 0.099 0.000 1.153 474 V CB -0.307 31.636 31.823 0.200 0.000 0.950 474 V HN 0.484 nan 8.190 nan 0.000 0.432 475 T N -0.126 114.495 114.554 0.112 0.000 2.857 475 T HA -0.129 4.217 4.350 -0.006 0.000 0.266 475 T C 2.093 176.834 174.700 0.070 0.000 1.048 475 T CA 2.021 64.161 62.100 0.066 0.000 1.139 475 T CB -0.054 68.813 68.868 -0.001 0.000 0.874 475 T HN 0.776 nan 8.240 nan 0.000 0.455 476 S N 1.344 117.081 115.700 0.061 0.000 2.395 476 S HA 0.055 4.522 4.470 -0.006 0.000 0.225 476 S C -0.527 174.100 174.600 0.046 0.000 1.027 476 S CA 0.436 58.665 58.200 0.048 0.000 0.965 476 S CB -1.590 61.635 63.200 0.043 0.000 0.812 476 S HN 0.446 nan 8.310 nan 0.000 0.482 477 P HA 0.034 nan 4.420 nan 0.000 0.219 477 P C 0.803 178.078 177.300 -0.041 0.000 1.150 477 P CA 0.950 64.014 63.100 -0.060 0.000 0.814 477 P CB -0.121 31.487 31.700 -0.153 0.000 0.787 478 Y N 0.432 120.732 120.300 -0.000 0.000 2.153 478 Y HA -0.083 4.463 4.550 -0.006 0.000 0.289 478 Y C 0.611 176.496 175.900 -0.025 0.000 1.119 478 Y CA 1.181 59.276 58.100 -0.010 0.000 1.116 478 Y CB -1.237 37.209 38.460 -0.024 0.000 1.004 478 Y HN 0.015 nan 8.280 nan 0.000 0.501 479 N N 0.406 119.186 118.700 0.132 0.000 2.558 479 N HA -0.126 4.610 4.740 -0.006 0.000 0.302 479 N C -0.642 174.871 175.510 0.005 0.000 1.322 479 N CA 0.298 53.366 53.050 0.030 0.000 0.687 479 N CB -1.059 37.441 38.487 0.022 0.000 0.992 479 N HN 0.745 nan 8.380 nan 0.000 0.524 480 A N 0.408 123.199 122.820 -0.049 0.000 2.189 480 A HA 0.112 4.428 4.320 -0.006 0.000 0.563 480 A C 0.093 177.534 177.584 -0.237 0.000 0.534 480 A CA 0.468 52.418 52.037 -0.145 0.000 0.372 480 A CB -1.627 17.303 19.000 -0.116 0.000 3.240 480 A HN 1.339 nan 8.150 nan 0.000 0.455 481 D N 0.902 121.122 120.400 -0.300 0.000 2.723 481 D HA 0.820 5.457 4.640 -0.006 0.000 0.205 481 D C 0.373 176.274 176.300 -0.666 0.000 1.295 481 D CA 0.292 54.076 54.000 -0.360 0.000 1.112 481 D CB 0.242 40.966 40.800 -0.125 0.000 1.193 481 D HN 0.470 nan 8.370 nan 0.000 0.610 482 F N -1.010 118.951 119.950 0.019 0.000 2.960 482 F HA 0.188 4.711 4.527 -0.006 0.000 0.345 482 F C -0.496 175.310 175.800 0.010 0.000 1.147 482 F CA -0.748 57.262 58.000 0.017 0.000 1.099 482 F CB 0.665 39.676 39.000 0.018 0.000 1.219 482 F HN 0.108 nan 8.300 nan 0.000 0.525 483 D N 0.333 120.810 120.400 0.129 0.000 2.767 483 D HA 0.367 5.003 4.640 -0.006 0.000 0.231 483 D C 1.256 177.591 176.300 0.058 0.000 1.105 483 D CA 0.355 54.404 54.000 0.081 0.000 1.024 483 D CB -0.062 40.767 40.800 0.048 0.000 1.123 483 D HN 0.317 nan 8.370 nan 0.000 0.470 484 G N 1.039 109.885 108.800 0.076 0.000 2.212 484 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.255 484 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.255 484 G C -0.555 174.371 174.900 0.043 0.000 1.062 484 G CA -0.497 44.635 45.100 0.053 0.000 0.815 484 G HN 0.491 nan 8.290 nan 0.000 0.497 485 D N 0.658 121.092 120.400 0.056 0.000 2.308 485 D HA 0.467 5.103 4.640 -0.006 0.000 0.251 485 D C 0.736 177.059 176.300 0.038 0.000 1.127 485 D CA 0.234 54.248 54.000 0.023 0.000 0.876 485 D CB 0.747 41.532 40.800 -0.024 0.000 1.176 485 D HN 0.513 nan 8.370 nan 0.000 0.446 486 E N 1.823 122.033 120.200 0.017 0.000 2.248 486 E HA 0.531 4.877 4.350 -0.006 0.000 0.272 486 E C -0.181 176.423 176.600 0.007 0.000 1.008 486 E CA -0.627 55.789 56.400 0.026 0.000 0.856 486 E CB 1.795 31.503 29.700 0.014 0.000 1.120 486 E HN 0.297 nan 8.360 nan 0.000 0.397 487 M N 1.722 121.348 119.600 0.044 0.000 2.501 487 M HA 0.345 4.821 4.480 -0.006 0.000 0.293 487 M C -1.086 175.241 176.300 0.045 0.000 1.192 487 M CA -0.994 54.270 55.300 -0.061 0.000 0.886 487 M CB 2.205 34.636 32.600 -0.283 0.000 1.710 487 M HN 0.405 nan 8.290 nan 0.000 0.457 488 N N 1.310 119.975 118.700 -0.058 0.000 2.476 488 N HA 0.791 5.527 4.740 -0.006 0.000 0.275 488 N C -1.488 174.066 175.510 0.073 0.000 1.190 488 N CA -0.471 52.615 53.050 0.060 0.000 0.977 488 N CB 1.260 39.804 38.487 0.094 0.000 1.200 488 N HN 0.458 nan 8.380 nan 0.000 0.515 489 L N 0.561 121.888 121.223 0.173 0.000 2.422 489 L HA 0.484 4.821 4.340 -0.006 0.000 0.264 489 L C -1.580 175.340 176.870 0.083 0.000 0.984 489 L CA -0.459 54.525 54.840 0.239 0.000 0.819 489 L CB 1.648 43.900 42.059 0.322 0.000 1.330 489 L HN 0.627 nan 8.230 nan 0.000 0.410 490 H N 2.332 121.500 119.070 0.162 0.000 2.600 490 H HA 0.748 5.300 4.556 -0.006 0.000 0.357 490 H C -1.182 174.236 175.328 0.150 0.000 1.106 490 H CA -0.570 55.569 56.048 0.151 0.000 1.193 490 H CB 2.243 32.076 29.762 0.119 0.000 1.594 490 H HN 0.356 nan 8.280 nan 0.000 0.526 491 V N 5.304 125.370 119.914 0.254 0.000 2.409 491 V HA 0.326 4.442 4.120 -0.006 0.000 0.291 491 V C -1.998 174.177 176.094 0.136 0.000 1.020 491 V CA -1.727 60.691 62.300 0.197 0.000 0.848 491 V CB 1.543 33.493 31.823 0.212 0.000 0.990 491 V HN 0.716 nan 8.190 nan 0.000 0.430 492 P HA 0.191 nan 4.420 nan 0.000 0.272 492 P C -0.486 176.826 177.300 0.021 0.000 1.240 492 P CA -0.120 63.034 63.100 0.090 0.000 0.791 492 P CB 1.147 32.927 31.700 0.133 0.000 0.978 493 Q N -0.853 118.884 119.800 -0.105 0.000 2.245 493 Q HA 0.232 4.568 4.340 -0.006 0.000 0.236 493 Q C 0.075 175.876 176.000 -0.332 0.000 0.842 493 Q CA 0.481 56.074 55.803 -0.350 0.000 0.945 493 Q CB 0.707 29.207 28.738 -0.397 0.000 1.122 493 Q HN 0.397 nan 8.270 nan 0.000 0.506 494 S N 0.149 115.789 115.700 -0.100 0.000 2.569 494 S HA 0.272 4.738 4.470 -0.006 0.000 0.280 494 S C 0.659 175.321 174.600 0.103 0.000 1.111 494 S CA -0.629 57.550 58.200 -0.036 0.000 0.887 494 S CB 2.211 65.388 63.200 -0.038 0.000 1.095 494 S HN -0.026 nan 8.310 nan 0.000 0.476 495 E N 1.424 121.702 120.200 0.130 0.000 2.160 495 E HA -0.206 4.141 4.350 -0.006 0.000 0.195 495 E C 1.612 178.259 176.600 0.080 0.000 0.991 495 E CA 1.070 57.551 56.400 0.135 0.000 0.810 495 E CB 0.037 29.807 29.700 0.117 0.000 0.742 495 E HN 0.760 nan 8.360 nan 0.000 0.466 496 E N 0.189 120.423 120.200 0.057 0.000 2.106 496 E HA -0.141 4.205 4.350 -0.006 0.000 0.192 496 E C 1.923 178.543 176.600 0.034 0.000 0.984 496 E CA 1.755 58.178 56.400 0.039 0.000 0.806 496 E CB 0.115 29.831 29.700 0.026 0.000 0.750 496 E HN 0.303 nan 8.360 nan 0.000 0.458 497 T N -1.682 112.895 114.554 0.038 0.000 3.023 497 T HA -0.002 4.344 4.350 -0.006 0.000 0.266 497 T C 1.750 176.477 174.700 0.044 0.000 1.093 497 T CA 0.340 62.461 62.100 0.034 0.000 1.129 497 T CB -0.179 68.708 68.868 0.030 0.000 0.899 497 T HN 0.114 nan 8.240 nan 0.000 0.491 498 R N 1.431 121.967 120.500 0.060 0.000 2.096 498 R HA 0.167 4.503 4.340 -0.006 0.000 0.235 498 R C 2.946 179.261 176.300 0.025 0.000 1.127 498 R CA 1.240 57.367 56.100 0.046 0.000 0.968 498 R CB -0.690 29.637 30.300 0.045 0.000 0.861 498 R HN 0.508 nan 8.270 nan 0.000 0.440 499 A N 1.654 124.490 122.820 0.025 0.000 1.902 499 A HA -0.179 4.137 4.320 -0.006 0.000 0.217 499 A C 1.902 179.493 177.584 0.012 0.000 1.181 499 A CA 1.257 53.303 52.037 0.016 0.000 0.623 499 A CB -0.314 18.699 19.000 0.022 0.000 0.818 499 A HN 0.299 nan 8.150 nan 0.000 0.443 500 E N -0.420 119.789 120.200 0.014 0.000 2.204 500 E HA -0.137 4.209 4.350 -0.006 0.000 0.195 500 E C 1.821 178.423 176.600 0.004 0.000 0.990 500 E CA 0.953 57.357 56.400 0.007 0.000 0.821 500 E CB -0.207 29.495 29.700 0.003 0.000 0.750 500 E HN 0.665 nan 8.360 nan 0.000 0.477 501 L N 0.168 121.398 121.223 0.011 0.000 2.084 501 L HA -0.072 4.264 4.340 -0.006 0.000 0.202 501 L C 2.519 179.390 176.870 0.001 0.000 1.074 501 L CA 1.076 55.923 54.840 0.013 0.000 0.757 501 L CB -0.257 41.821 42.059 0.031 0.000 0.918 501 L HN 0.091 nan 8.230 nan 0.000 0.444 502 S N -1.456 114.243 115.700 -0.002 0.000 2.561 502 S HA -0.027 4.439 4.470 -0.006 0.000 0.225 502 S C 1.534 176.124 174.600 -0.018 0.000 0.977 502 S CA 0.275 58.468 58.200 -0.013 0.000 0.926 502 S CB 0.067 63.259 63.200 -0.013 0.000 0.769 502 S HN 0.372 nan 8.310 nan 0.000 0.533 503 Q N -0.241 119.550 119.800 -0.015 0.000 2.245 503 Q HA 0.444 4.781 4.340 -0.006 0.000 0.236 503 Q C 0.955 176.938 176.000 -0.027 0.000 0.842 503 Q CA 0.284 56.075 55.803 -0.020 0.000 0.945 503 Q CB 0.372 29.101 28.738 -0.014 0.000 1.122 503 Q HN 0.527 nan 8.270 nan 0.000 0.506 504 L N -1.983 119.225 121.223 -0.025 0.000 2.953 504 L HA 0.187 4.523 4.340 -0.006 0.000 0.258 504 L C 1.398 178.247 176.870 -0.034 0.000 1.100 504 L CA 0.398 55.219 54.840 -0.032 0.000 0.971 504 L CB 0.513 42.555 42.059 -0.028 0.000 1.474 504 L HN -0.018 nan 8.230 nan 0.000 0.540 505 C N 0.484 119.768 119.300 -0.027 0.000 3.070 505 C HA 0.589 5.045 4.460 -0.006 0.000 0.280 505 C C 1.469 176.438 174.990 -0.034 0.000 1.264 505 C CA -0.852 58.151 59.018 -0.025 0.000 1.690 505 C CB -0.610 27.127 27.740 -0.004 0.000 2.049 505 C HN 0.362 nan 8.230 nan 0.000 0.636 506 A N 1.101 123.895 122.820 -0.045 0.000 2.540 506 A HA 0.335 4.651 4.320 -0.006 0.000 0.239 506 A C 1.419 178.941 177.584 -0.102 0.000 1.061 506 A CA 0.274 52.268 52.037 -0.073 0.000 0.758 506 A CB 0.329 19.291 19.000 -0.063 0.000 0.991 506 A HN 0.253 nan 8.150 nan 0.000 0.502 507 V N 3.638 123.453 119.914 -0.166 0.000 2.282 507 V HA -0.197 3.919 4.120 -0.006 0.000 0.249 507 V C -0.379 175.634 176.094 -0.135 0.000 1.057 507 V CA 2.683 64.873 62.300 -0.183 0.000 1.032 507 V CB -1.624 30.020 31.823 -0.299 0.000 0.645 507 V HN 0.815 nan 8.190 nan 0.000 0.447 508 P HA -0.117 nan 4.420 nan 0.000 0.219 508 P C 1.758 179.031 177.300 -0.045 0.000 1.146 508 P CA 1.306 64.373 63.100 -0.056 0.000 0.808 508 P CB -0.064 31.616 31.700 -0.034 0.000 0.779 509 L N -1.162 120.026 121.223 -0.058 0.000 2.313 509 L HA -0.061 4.275 4.340 -0.006 0.000 0.214 509 L C 1.805 178.634 176.870 -0.068 0.000 1.119 509 L CA 0.931 55.739 54.840 -0.053 0.000 0.809 509 L CB -0.502 41.527 42.059 -0.049 0.000 0.933 509 L HN -0.063 nan 8.230 nan 0.000 0.449 510 Q N -0.465 119.284 119.800 -0.086 0.000 2.280 510 Q HA 0.169 4.505 4.340 -0.006 0.000 0.201 510 Q C 1.949 177.882 176.000 -0.111 0.000 0.890 510 Q CA 0.253 55.993 55.803 -0.105 0.000 0.947 510 Q CB 0.433 29.095 28.738 -0.127 0.000 1.081 510 Q HN 0.534 nan 8.270 nan 0.000 0.502 511 I N 0.653 121.172 120.570 -0.084 0.000 2.099 511 I HA -0.184 3.982 4.170 -0.006 0.000 0.239 511 I C 1.024 177.098 176.117 -0.071 0.000 1.066 511 I CA 0.914 62.183 61.300 -0.052 0.000 1.324 511 I CB -0.212 37.814 38.000 0.043 0.000 1.037 511 I HN -0.023 nan 8.210 nan 0.000 0.401 512 V N -0.697 119.154 119.914 -0.105 0.000 2.488 512 V HA 0.303 4.419 4.120 -0.006 0.000 0.277 512 V C 0.093 176.110 176.094 -0.129 0.000 1.046 512 V CA -0.545 61.655 62.300 -0.167 0.000 0.986 512 V CB 1.129 32.801 31.823 -0.251 0.000 0.989 512 V HN 0.192 nan 8.190 nan 0.000 0.475 513 S N 5.742 121.378 115.700 -0.107 0.000 2.462 513 S HA 0.566 5.032 4.470 -0.006 0.000 0.294 513 S C -1.189 173.406 174.600 -0.007 0.000 1.144 513 S CA -1.576 56.578 58.200 -0.076 0.000 1.088 513 S CB 1.728 64.866 63.200 -0.104 0.000 1.009 513 S HN 0.800 nan 8.310 nan 0.000 0.484 514 P HA -0.084 nan 4.420 nan 0.000 0.234 514 P C 1.092 178.522 177.300 0.218 0.000 1.167 514 P CA 0.518 63.701 63.100 0.139 0.000 0.763 514 P CB 0.239 32.035 31.700 0.160 0.000 0.835 515 Q N 2.245 122.089 119.800 0.072 0.000 2.045 515 Q HA -0.156 4.180 4.340 -0.006 0.000 0.206 515 Q C 1.141 177.193 176.000 0.086 0.000 0.991 515 Q CA 2.576 58.389 55.803 0.016 0.000 0.851 515 Q CB -0.471 28.274 28.738 0.012 0.000 0.911 515 Q HN 0.284 nan 8.270 nan 0.000 0.418 516 S N -0.784 114.981 115.700 0.109 0.000 2.949 516 S HA 0.148 4.614 4.470 -0.006 0.000 0.246 516 S C -0.584 174.173 174.600 0.262 0.000 0.899 516 S CA -0.139 58.144 58.200 0.138 0.000 1.091 516 S CB -1.080 62.216 63.200 0.159 0.000 1.199 516 S HN 0.601 nan 8.310 nan 0.000 0.507 517 N N 1.025 119.854 118.700 0.215 0.000 2.701 517 N HA -0.269 4.467 4.740 -0.006 0.000 0.252 517 N C -0.577 175.073 175.510 0.233 0.000 1.002 517 N CA 1.023 54.205 53.050 0.220 0.000 0.758 517 N CB -1.280 37.377 38.487 0.284 0.000 0.937 517 N HN 0.706 nan 8.380 nan 0.000 0.538 518 K N -0.427 120.036 120.400 0.106 0.000 2.536 518 K HA 0.484 4.800 4.320 -0.006 0.000 0.269 518 K C -2.775 173.770 176.600 -0.093 0.000 0.965 518 K CA -1.868 54.453 56.287 0.057 0.000 0.860 518 K CB 2.452 35.053 32.500 0.169 0.000 1.423 518 K HN -0.114 nan 8.250 nan 0.000 0.438 519 P HA 0.013 nan 4.420 nan 0.000 0.271 519 P C 0.609 177.909 177.300 -0.001 0.000 1.216 519 P CA -0.235 62.828 63.100 -0.063 0.000 0.771 519 P CB 0.457 32.160 31.700 0.005 0.000 0.864 520 C N 2.059 121.343 119.300 -0.028 0.000 2.634 520 C HA 0.326 4.782 4.460 -0.006 0.000 0.268 520 C C 1.003 175.988 174.990 -0.009 0.000 1.322 520 C CA -0.234 58.763 59.018 -0.036 0.000 1.737 520 C CB -1.056 26.610 27.740 -0.123 0.000 1.976 520 C HN 0.388 nan 8.230 nan 0.000 0.547 521 M N 2.111 121.719 119.600 0.013 0.000 2.238 521 M HA 0.595 5.071 4.480 -0.006 0.000 0.350 521 M C 0.208 176.636 176.300 0.212 0.000 1.138 521 M CA 0.386 55.702 55.300 0.027 0.000 1.040 521 M CB 1.470 33.959 32.600 -0.185 0.000 1.639 521 M HN 0.436 nan 8.290 nan 0.000 0.451 522 G N 2.545 111.466 108.800 0.201 0.000 2.574 522 G HA2 0.724 4.680 3.960 -0.006 0.000 0.299 522 G HA3 0.724 4.680 3.960 -0.006 0.000 0.299 522 G C -1.044 174.016 174.900 0.266 0.000 1.298 522 G CA -0.849 44.403 45.100 0.252 0.000 0.952 522 G HN 0.702 nan 8.290 nan 0.000 0.477 523 I N 1.294 122.006 120.570 0.236 0.000 2.436 523 I HA 0.239 4.406 4.170 -0.006 0.000 0.289 523 I C -0.134 176.051 176.117 0.112 0.000 1.083 523 I CA -0.047 61.363 61.300 0.183 0.000 1.372 523 I CB 0.853 38.924 38.000 0.117 0.000 1.408 523 I HN -0.054 nan 8.210 nan 0.000 0.516 524 V N 6.179 126.159 119.914 0.110 0.000 2.960 524 V HA 0.469 4.585 4.120 -0.006 0.000 0.315 524 V C 0.290 176.434 176.094 0.084 0.000 1.087 524 V CA -0.410 61.942 62.300 0.087 0.000 0.982 524 V CB 1.693 33.568 31.823 0.087 0.000 1.039 524 V HN 0.949 nan 8.190 nan 0.000 0.437 525 Q N 0.613 120.456 119.800 0.072 0.000 1.339 525 Q HA -0.289 4.047 4.340 -0.006 0.000 0.320 525 Q C 0.922 176.958 176.000 0.060 0.000 0.961 525 Q CA 1.466 57.314 55.803 0.075 0.000 0.777 525 Q CB -0.988 27.809 28.738 0.098 0.000 3.941 525 Q HN 0.944 nan 8.270 nan 0.000 0.536 526 D N -0.146 120.297 120.400 0.073 0.000 2.133 526 D HA -0.131 4.505 4.640 -0.006 0.000 0.192 526 D C 1.842 178.166 176.300 0.040 0.000 1.001 526 D CA 2.438 56.475 54.000 0.062 0.000 0.844 526 D CB -0.381 40.461 40.800 0.071 0.000 0.944 526 D HN 0.501 nan 8.370 nan 0.000 0.447 527 T N 0.132 114.716 114.554 0.050 0.000 2.904 527 T HA -0.069 4.277 4.350 -0.006 0.000 0.267 527 T C 1.821 176.533 174.700 0.021 0.000 1.059 527 T CA 0.307 62.433 62.100 0.043 0.000 1.137 527 T CB -0.141 68.763 68.868 0.060 0.000 0.879 527 T HN 0.038 nan 8.240 nan 0.000 0.467 528 L N 0.738 121.974 121.223 0.021 0.000 2.131 528 L HA 0.166 4.503 4.340 -0.006 0.000 0.206 528 L C 2.533 179.383 176.870 -0.032 0.000 1.087 528 L CA 1.148 55.989 54.840 0.001 0.000 0.767 528 L CB -0.875 41.195 42.059 0.020 0.000 0.917 528 L HN 0.361 nan 8.230 nan 0.000 0.441 529 C N -0.445 118.825 119.300 -0.049 0.000 2.457 529 C HA 0.084 4.540 4.460 -0.006 0.000 0.278 529 C C 2.744 177.652 174.990 -0.137 0.000 1.309 529 C CA 0.661 59.598 59.018 -0.135 0.000 1.735 529 C CB -1.514 26.100 27.740 -0.210 0.000 1.992 529 C HN 0.680 nan 8.230 nan 0.000 0.493 530 G N -0.031 108.739 108.800 -0.049 0.000 2.408 530 G HA2 -0.107 3.849 3.960 -0.006 0.000 0.215 530 G HA3 -0.107 3.849 3.960 -0.006 0.000 0.215 530 G C 1.580 176.482 174.900 0.004 0.000 1.156 530 G CA 0.798 45.934 45.100 0.061 0.000 0.793 530 G HN 0.589 nan 8.290 nan 0.000 0.535 531 I N 0.147 120.685 120.570 -0.054 0.000 2.454 531 I HA -0.096 4.071 4.170 -0.006 0.000 0.254 531 I C 2.731 178.760 176.117 -0.147 0.000 1.156 531 I CA 1.036 62.266 61.300 -0.116 0.000 1.433 531 I CB -0.018 37.929 38.000 -0.087 0.000 1.082 531 I HN 0.160 nan 8.210 nan 0.000 0.432 532 R N 0.969 121.403 120.500 -0.110 0.000 2.057 532 R HA -0.157 4.179 4.340 -0.006 0.000 0.229 532 R C 2.253 178.483 176.300 -0.116 0.000 1.136 532 R CA 1.293 57.329 56.100 -0.106 0.000 0.952 532 R CB -0.196 30.055 30.300 -0.083 0.000 0.848 532 R HN 0.242 nan 8.270 nan 0.000 0.430 533 K N 0.546 120.902 120.400 -0.073 0.000 2.152 533 K HA -0.178 4.138 4.320 -0.006 0.000 0.206 533 K C 2.122 178.636 176.600 -0.142 0.000 1.048 533 K CA 1.232 57.530 56.287 0.017 0.000 0.933 533 K CB -0.220 32.406 32.500 0.210 0.000 0.721 533 K HN 0.151 nan 8.250 nan 0.000 0.447 534 L N 1.348 122.255 121.223 -0.527 0.000 2.005 534 L HA -0.114 4.222 4.340 -0.006 0.000 0.207 534 L C 1.662 178.210 176.870 -0.537 0.000 1.072 534 L CA 1.914 56.138 54.840 -1.028 0.000 0.744 534 L CB -0.831 40.562 42.059 -1.108 0.000 0.895 534 L HN 0.149 nan 8.230 nan 0.000 0.433 535 T N -1.043 113.299 114.554 -0.354 0.000 3.792 535 T HA 0.265 4.611 4.350 -0.006 0.000 0.233 535 T C 0.191 174.776 174.700 -0.192 0.000 0.860 535 T CA -0.208 61.742 62.100 -0.250 0.000 0.915 535 T CB -1.373 67.379 68.868 -0.193 0.000 1.216 535 T HN 0.147 nan 8.240 nan 0.000 0.664 536 L N 0.515 121.612 121.223 -0.210 0.000 2.334 536 L HA 0.543 4.879 4.340 -0.006 0.000 0.272 536 L C 1.720 178.459 176.870 -0.219 0.000 1.020 536 L CA -1.353 53.392 54.840 -0.158 0.000 0.812 536 L CB 1.604 43.599 42.059 -0.105 0.000 1.264 536 L HN 0.095 nan 8.230 nan 0.000 0.439 537 R N 0.185 120.592 120.500 -0.155 0.000 2.115 537 R HA -0.163 4.174 4.340 -0.006 0.000 0.230 537 R C 1.089 177.254 176.300 -0.225 0.000 1.111 537 R CA 1.403 57.401 56.100 -0.169 0.000 0.976 537 R CB -0.115 30.156 30.300 -0.048 0.000 0.870 537 R HN 0.643 nan 8.270 nan 0.000 0.445 538 D N 0.573 120.899 120.400 -0.123 0.000 2.178 538 D HA -0.078 4.558 4.640 -0.006 0.000 0.202 538 D C 0.061 176.323 176.300 -0.063 0.000 0.974 538 D CA 0.966 54.955 54.000 -0.018 0.000 0.841 538 D CB 0.140 40.957 40.800 0.028 0.000 0.953 538 D HN 0.181 nan 8.370 nan 0.000 0.478 539 T N -1.889 112.533 114.554 -0.220 0.000 2.845 539 T HA 0.517 4.863 4.350 -0.006 0.000 0.288 539 T C -0.236 174.203 174.700 -0.434 0.000 0.980 539 T CA -0.676 61.348 62.100 -0.128 0.000 1.071 539 T CB 1.000 69.869 68.868 0.001 0.000 0.941 539 T HN -0.070 nan 8.240 nan 0.000 0.487 540 F N 0.724 120.753 119.950 0.133 0.000 2.629 540 F HA 0.722 5.246 4.527 -0.006 0.000 0.316 540 F C -0.345 175.575 175.800 0.200 0.000 1.081 540 F CA -1.484 56.597 58.000 0.136 0.000 0.954 540 F CB 1.981 41.045 39.000 0.107 0.000 1.337 540 F HN 0.493 nan 8.300 nan 0.000 0.474 541 I N 0.569 121.404 120.570 0.441 0.000 2.582 541 I HA 0.397 4.563 4.170 -0.006 0.000 0.292 541 I C -1.022 175.339 176.117 0.407 0.000 1.066 541 I CA -0.857 60.661 61.300 0.364 0.000 1.053 541 I CB 2.215 40.386 38.000 0.286 0.000 1.241 541 I HN 0.607 nan 8.210 nan 0.000 0.421 542 E N 4.675 125.055 120.200 0.299 0.000 2.227 542 E HA 0.324 4.670 4.350 -0.006 0.000 0.268 542 E C 0.627 177.332 176.600 0.175 0.000 0.990 542 E CA -0.837 55.749 56.400 0.310 0.000 0.856 542 E CB 2.032 31.860 29.700 0.214 0.000 1.159 542 E HN 0.511 nan 8.360 nan 0.000 0.401 543 L N 1.942 123.281 121.223 0.194 0.000 2.040 543 L HA -0.360 3.976 4.340 -0.006 0.000 0.228 543 L C 1.980 178.805 176.870 -0.075 0.000 1.092 543 L CA 2.930 57.744 54.840 -0.043 0.000 0.805 543 L CB -0.810 41.310 42.059 0.102 0.000 0.905 543 L HN 0.880 nan 8.230 nan 0.000 0.443 544 D N -1.618 118.791 120.400 0.015 0.000 2.133 544 D HA -0.301 4.335 4.640 -0.006 0.000 0.195 544 D C 1.887 178.203 176.300 0.026 0.000 0.997 544 D CA 2.046 56.060 54.000 0.023 0.000 0.840 544 D CB -0.525 40.306 40.800 0.052 0.000 0.947 544 D HN 0.641 nan 8.370 nan 0.000 0.452 545 Q N 0.060 119.880 119.800 0.034 0.000 2.212 545 Q HA 0.016 4.352 4.340 -0.006 0.000 0.199 545 Q C 2.676 178.693 176.000 0.029 0.000 0.950 545 Q CA 0.223 56.064 55.803 0.064 0.000 0.863 545 Q CB 0.414 29.190 28.738 0.064 0.000 0.944 545 Q HN 0.180 nan 8.270 nan 0.000 0.465 546 V N 1.457 121.306 119.914 -0.109 0.000 2.295 546 V HA -0.283 3.833 4.120 -0.006 0.000 0.246 546 V C 2.208 178.106 176.094 -0.327 0.000 1.049 546 V CA 1.634 63.749 62.300 -0.308 0.000 1.024 546 V CB -0.531 30.838 31.823 -0.756 0.000 0.648 546 V HN 0.349 nan 8.190 nan 0.000 0.447 547 L N 0.037 121.092 121.223 -0.281 0.000 2.046 547 L HA -0.170 4.166 4.340 -0.006 0.000 0.208 547 L C 2.447 179.217 176.870 -0.166 0.000 1.077 547 L CA 1.514 56.210 54.840 -0.240 0.000 0.747 547 L CB -0.870 41.098 42.059 -0.152 0.000 0.896 547 L HN 0.364 nan 8.230 nan 0.000 0.432 548 N N 0.152 118.819 118.700 -0.054 0.000 2.084 548 N HA -0.176 4.560 4.740 -0.006 0.000 0.190 548 N C 1.887 177.384 175.510 -0.023 0.000 1.030 548 N CA 1.476 54.537 53.050 0.018 0.000 0.849 548 N CB -0.276 38.313 38.487 0.170 0.000 1.012 548 N HN 0.254 nan 8.380 nan 0.000 0.423 549 M N -0.013 119.568 119.600 -0.031 0.000 2.213 549 M HA -0.072 4.405 4.480 -0.006 0.000 0.263 549 M C 1.689 177.887 176.300 -0.171 0.000 1.062 549 M CA 1.083 56.343 55.300 -0.067 0.000 1.105 549 M CB -0.079 32.530 32.600 0.015 0.000 1.385 549 M HN 0.097 nan 8.290 nan 0.000 0.417 550 L N -1.934 119.078 121.223 -0.352 0.000 2.156 550 L HA -0.202 4.134 4.340 -0.006 0.000 0.208 550 L C 2.294 178.751 176.870 -0.689 0.000 1.095 550 L CA 0.883 55.281 54.840 -0.737 0.000 0.770 550 L CB -0.529 40.837 42.059 -1.155 0.000 0.914 550 L HN 0.272 nan 8.230 nan 0.000 0.439 551 Y N -1.224 118.786 120.300 -0.482 0.000 2.457 551 Y HA -0.179 4.367 4.550 -0.007 0.000 0.292 551 Y C 1.865 177.654 175.900 -0.185 0.000 1.125 551 Y CA 0.535 58.482 58.100 -0.255 0.000 1.254 551 Y CB -0.255 38.080 38.460 -0.208 0.000 1.012 551 Y HN 0.086 nan 8.280 nan 0.000 0.555 552 W N 0.134 121.213 121.300 -0.367 0.000 2.425 552 W HA -0.012 4.645 4.660 -0.006 0.000 0.277 552 W C 0.530 176.889 176.519 -0.266 0.000 1.231 552 W CA 1.034 58.155 57.345 -0.373 0.000 1.248 552 W CB -0.440 28.797 29.460 -0.373 0.000 1.117 552 W HN -0.348 nan 8.180 nan 0.000 0.568 553 V N 4.184 124.092 119.914 -0.010 0.000 2.446 553 V HA -0.039 4.078 4.120 -0.006 0.000 0.276 553 V C -0.836 175.265 176.094 0.012 0.000 1.030 553 V CA -0.741 61.571 62.300 0.021 0.000 1.033 553 V CB 0.621 32.470 31.823 0.044 0.000 0.993 553 V HN -0.072 nan 8.190 nan 0.000 0.477 554 P HA -0.029 nan 4.420 nan 0.000 0.225 554 P C 0.553 177.874 177.300 0.036 0.000 1.156 554 P CA 0.829 63.908 63.100 -0.035 0.000 0.787 554 P CB 0.480 32.153 31.700 -0.045 0.000 0.802 555 D N -1.229 119.215 120.400 0.073 0.000 2.395 555 D HA 0.024 4.660 4.640 -0.006 0.000 0.226 555 D C -0.174 176.214 176.300 0.146 0.000 1.146 555 D CA -0.348 53.699 54.000 0.079 0.000 0.830 555 D CB -0.231 40.603 40.800 0.057 0.000 0.958 555 D HN 0.145 nan 8.370 nan 0.000 0.501 556 W N 3.340 124.630 121.300 -0.016 0.000 2.253 556 W HA 0.029 4.685 4.660 -0.007 0.000 0.322 556 W C 1.185 177.710 176.519 0.010 0.000 1.342 556 W CA -0.912 56.434 57.345 0.001 0.000 1.218 556 W CB 0.661 30.127 29.460 0.010 0.000 1.205 556 W HN -0.017 nan 8.180 nan 0.000 0.551 557 D N 3.280 123.432 120.400 -0.412 0.000 2.378 557 D HA -0.010 4.626 4.640 -0.006 0.000 0.227 557 D C 1.532 177.357 176.300 -0.791 0.000 1.012 557 D CA 0.837 54.565 54.000 -0.455 0.000 0.905 557 D CB -0.348 40.308 40.800 -0.240 0.000 0.895 557 D HN 0.796 nan 8.370 nan 0.000 0.532 558 G N 0.089 107.825 108.800 -1.773 0.000 2.148 558 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.254 558 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.254 558 G C 0.121 174.365 174.900 -1.093 0.000 0.981 558 G CA 0.211 44.233 45.100 -1.798 0.000 0.670 558 G HN 0.375 nan 8.290 nan 0.000 0.528 559 V N 2.945 122.402 119.914 -0.761 0.000 2.311 559 V HA 0.438 4.554 4.120 -0.006 0.000 0.275 559 V C 1.058 177.348 176.094 0.326 0.000 1.022 559 V CA -0.749 61.485 62.300 -0.110 0.000 0.830 559 V CB 1.071 32.854 31.823 -0.065 0.000 1.012 559 V HN 0.486 nan 8.190 nan 0.000 0.452 560 I N 4.117 124.944 120.570 0.428 0.000 2.581 560 I HA 0.324 4.490 4.170 -0.006 0.000 0.285 560 I C -2.034 174.281 176.117 0.330 0.000 1.129 560 I CA -1.434 60.133 61.300 0.445 0.000 1.397 560 I CB -0.190 38.004 38.000 0.323 0.000 1.399 560 I HN 0.343 nan 8.210 nan 0.000 0.537 561 P HA 0.143 nan 4.420 nan 0.000 0.271 561 P C -0.307 177.217 177.300 0.373 0.000 1.218 561 P CA -0.185 63.100 63.100 0.308 0.000 0.780 561 P CB 0.431 32.306 31.700 0.290 0.000 0.901 562 T N 4.090 118.780 114.554 0.228 0.000 2.867 562 T HA 0.156 4.502 4.350 -0.006 0.000 0.297 562 T C -2.081 172.649 174.700 0.050 0.000 0.989 562 T CA -0.658 61.525 62.100 0.139 0.000 1.159 562 T CB -0.631 68.277 68.868 0.066 0.000 0.928 562 T HN 0.316 nan 8.240 nan 0.000 0.538 563 P HA 0.222 nan 4.420 nan 0.000 0.269 563 P C 0.533 177.604 177.300 -0.382 0.000 1.209 563 P CA -0.333 62.316 63.100 -0.751 0.000 0.776 563 P CB 0.443 31.476 31.700 -1.112 0.000 0.876 564 A N 3.330 125.956 122.820 -0.324 0.000 1.902 564 A HA -0.055 4.261 4.320 -0.006 0.000 0.217 564 A C 0.920 178.420 177.584 -0.139 0.000 1.181 564 A CA 1.374 53.340 52.037 -0.119 0.000 0.623 564 A CB -0.820 18.191 19.000 0.018 0.000 0.818 564 A HN 0.562 nan 8.150 nan 0.000 0.443 565 I N -0.278 120.155 120.570 -0.227 0.000 2.420 565 I HA 0.271 4.437 4.170 -0.006 0.000 0.282 565 I C 0.099 176.057 176.117 -0.265 0.000 1.019 565 I CA -0.495 60.678 61.300 -0.211 0.000 1.130 565 I CB 1.703 39.569 38.000 -0.223 0.000 1.262 565 I HN 0.104 nan 8.210 nan 0.000 0.454 566 I N 4.560 125.009 120.570 -0.201 0.000 2.201 566 I HA -0.046 4.120 4.170 -0.006 0.000 0.233 566 I C 1.916 177.954 176.117 -0.132 0.000 1.067 566 I CA 0.816 62.010 61.300 -0.176 0.000 1.354 566 I CB -0.530 37.399 38.000 -0.118 0.000 1.108 566 I HN 0.658 nan 8.210 nan 0.000 0.411 567 K N -0.481 119.860 120.400 -0.099 0.000 1.804 567 K HA -0.313 4.003 4.320 -0.006 0.000 0.138 567 K C -1.408 175.153 176.600 -0.064 0.000 0.925 567 K CA 2.317 58.557 56.287 -0.079 0.000 0.308 567 K CB -2.153 30.291 32.500 -0.093 0.000 0.710 567 K HN 0.323 nan 8.250 nan 0.000 0.806 568 P HA 0.125 nan 4.420 nan 0.000 0.201 568 P C -0.699 176.577 177.300 -0.040 0.000 1.153 568 P CA 0.518 63.592 63.100 -0.044 0.000 0.894 568 P CB 0.039 31.715 31.700 -0.040 0.000 0.736 569 K N 1.923 122.297 120.400 -0.043 0.000 2.258 569 K HA 0.264 4.581 4.320 -0.006 0.000 0.284 569 K C -2.209 174.349 176.600 -0.070 0.000 1.051 569 K CA -2.153 54.119 56.287 -0.025 0.000 0.923 569 K CB 0.339 32.836 32.500 -0.005 0.000 1.046 569 K HN 0.049 nan 8.250 nan 0.000 0.474 570 P HA 0.066 nan 4.420 nan 0.000 0.271 570 P C -1.157 175.977 177.300 -0.277 0.000 1.226 570 P CA -0.228 62.720 63.100 -0.254 0.000 0.765 570 P CB 0.704 32.279 31.700 -0.209 0.000 0.835 571 L N 4.350 125.312 121.223 -0.434 0.000 2.362 571 L HA 0.545 4.881 4.340 -0.006 0.000 0.271 571 L C -0.437 176.289 176.870 -0.240 0.000 1.002 571 L CA -0.273 54.475 54.840 -0.152 0.000 0.818 571 L CB 1.665 43.635 42.059 -0.149 0.000 1.298 571 L HN 0.406 nan 8.230 nan 0.000 0.420 572 W N 2.000 123.402 121.300 0.171 0.000 2.587 572 W HA 0.469 5.125 4.660 -0.006 0.000 0.324 572 W C 0.107 176.752 176.519 0.210 0.000 1.040 572 W CA -0.791 56.649 57.345 0.158 0.000 1.222 572 W CB 2.266 31.778 29.460 0.086 0.000 1.381 572 W HN 0.551 nan 8.180 nan 0.000 0.483 573 S N 0.444 116.333 115.700 0.315 0.000 2.593 573 S HA 0.269 4.735 4.470 -0.006 0.000 0.269 573 S C 1.216 175.792 174.600 -0.040 0.000 1.334 573 S CA 0.170 58.397 58.200 0.044 0.000 1.015 573 S CB 1.630 64.810 63.200 -0.033 0.000 0.912 573 S HN 0.624 nan 8.310 nan 0.000 0.541 574 G N 1.016 109.686 108.800 -0.217 0.000 2.448 574 G HA2 -0.146 3.811 3.960 -0.006 0.000 0.219 574 G HA3 -0.146 3.811 3.960 -0.006 0.000 0.219 574 G C 1.260 176.015 174.900 -0.241 0.000 1.127 574 G CA 0.397 45.313 45.100 -0.306 0.000 0.766 574 G HN 0.770 nan 8.290 nan 0.000 0.552 575 K N -0.204 120.092 120.400 -0.174 0.000 2.155 575 K HA 0.017 4.333 4.320 -0.006 0.000 0.203 575 K C 2.584 179.144 176.600 -0.066 0.000 1.052 575 K CA 0.655 56.867 56.287 -0.124 0.000 0.948 575 K CB -0.104 32.337 32.500 -0.100 0.000 0.728 575 K HN 0.302 nan 8.250 nan 0.000 0.448 576 Q N 0.722 120.515 119.800 -0.013 0.000 2.050 576 Q HA -0.177 4.159 4.340 -0.006 0.000 0.202 576 Q C 2.290 178.313 176.000 0.038 0.000 0.980 576 Q CA 1.798 57.635 55.803 0.056 0.000 0.840 576 Q CB -0.252 28.585 28.738 0.164 0.000 0.898 576 Q HN 0.448 nan 8.270 nan 0.000 0.424 577 I N -2.142 118.427 120.570 -0.002 0.000 2.439 577 I HA -0.163 4.003 4.170 -0.006 0.000 0.251 577 I C 2.098 178.169 176.117 -0.076 0.000 1.139 577 I CA 0.878 62.145 61.300 -0.054 0.000 1.438 577 I CB -0.260 37.679 38.000 -0.102 0.000 1.085 577 I HN 0.040 nan 8.210 nan 0.000 0.427 578 L N 0.837 122.001 121.223 -0.097 0.000 2.217 578 L HA -0.019 4.317 4.340 -0.006 0.000 0.211 578 L C 2.423 179.255 176.870 -0.063 0.000 1.107 578 L CA 1.400 56.181 54.840 -0.099 0.000 0.783 578 L CB -0.426 41.552 42.059 -0.135 0.000 0.919 578 L HN 0.223 nan 8.230 nan 0.000 0.442 579 S N -1.347 114.328 115.700 -0.043 0.000 2.447 579 S HA -0.118 4.348 4.470 -0.006 0.000 0.233 579 S C 1.877 176.483 174.600 0.010 0.000 1.006 579 S CA 1.218 59.407 58.200 -0.019 0.000 0.957 579 S CB -0.272 62.926 63.200 -0.003 0.000 0.773 579 S HN 0.343 nan 8.310 nan 0.000 0.507 580 V N 1.706 121.632 119.914 0.019 0.000 2.548 580 V HA -0.097 4.020 4.120 -0.006 0.000 0.249 580 V C 2.558 178.683 176.094 0.050 0.000 1.055 580 V CA 1.453 63.789 62.300 0.059 0.000 1.065 580 V CB -1.176 30.675 31.823 0.048 0.000 0.681 580 V HN 0.531 nan 8.190 nan 0.000 0.462 581 A N 0.054 122.879 122.820 0.008 0.000 1.929 581 A HA 0.089 4.405 4.320 -0.006 0.000 0.216 581 A C 1.217 178.800 177.584 -0.002 0.000 1.176 581 A CA 0.623 52.661 52.037 0.003 0.000 0.628 581 A CB -0.415 18.571 19.000 -0.023 0.000 0.816 581 A HN 0.517 nan 8.150 nan 0.000 0.444 582 I N 1.621 122.183 120.570 -0.014 0.000 2.452 582 I HA 0.166 4.332 4.170 -0.006 0.000 0.287 582 I C -2.355 173.764 176.117 0.003 0.000 1.079 582 I CA -1.924 59.364 61.300 -0.020 0.000 1.387 582 I CB 0.859 38.837 38.000 -0.038 0.000 1.404 582 I HN 0.050 nan 8.210 nan 0.000 0.522 583 P HA 0.018 nan 4.420 nan 0.000 0.269 583 P C -0.917 176.396 177.300 0.021 0.000 1.209 583 P CA -0.363 62.748 63.100 0.019 0.000 0.776 583 P CB 0.266 31.977 31.700 0.017 0.000 0.876 584 N N 1.545 120.262 118.700 0.028 0.000 2.513 584 N HA 0.272 5.008 4.740 -0.006 0.000 0.268 584 N C 0.864 176.394 175.510 0.034 0.000 1.180 584 N CA 0.120 53.189 53.050 0.031 0.000 0.948 584 N CB 0.258 38.764 38.487 0.033 0.000 1.083 584 N HN 0.729 nan 8.380 nan 0.000 0.455 585 G N 0.563 109.390 108.800 0.045 0.000 2.183 585 G HA2 -0.129 3.828 3.960 -0.006 0.000 0.168 585 G HA3 -0.129 3.828 3.960 -0.006 0.000 0.168 585 G C -0.415 174.535 174.900 0.082 0.000 1.008 585 G CA -0.451 44.683 45.100 0.057 0.000 0.677 585 G HN 0.524 nan 8.290 nan 0.000 0.498 586 I N 1.314 121.928 120.570 0.073 0.000 2.488 586 I HA 0.519 4.685 4.170 -0.006 0.000 0.299 586 I C 0.020 176.206 176.117 0.116 0.000 0.984 586 I CA -0.676 60.670 61.300 0.077 0.000 1.250 586 I CB 1.357 39.372 38.000 0.024 0.000 1.389 586 I HN 0.095 nan 8.210 nan 0.000 0.488 587 H N 5.482 124.561 119.070 0.014 0.000 2.924 587 H HA 0.464 5.016 4.556 -0.006 0.000 0.333 587 H C -1.771 173.558 175.328 0.001 0.000 0.979 587 H CA -0.578 55.478 56.048 0.014 0.000 1.326 587 H CB 2.346 32.131 29.762 0.038 0.000 1.600 587 H HN 0.363 nan 8.280 nan 0.000 0.520 588 L N 5.089 126.262 121.223 -0.084 0.000 2.504 588 L HA 0.285 4.621 4.340 -0.006 0.000 0.265 588 L C -0.888 175.922 176.870 -0.101 0.000 0.975 588 L CA -0.236 54.571 54.840 -0.057 0.000 0.864 588 L CB 1.590 43.600 42.059 -0.081 0.000 1.212 588 L HN 0.599 nan 8.230 nan 0.000 0.416 589 Q N 3.129 122.927 119.800 -0.003 0.000 2.215 589 Q HA 0.553 4.889 4.340 -0.006 0.000 0.256 589 Q C -0.182 175.837 176.000 0.032 0.000 0.972 589 Q CA -0.507 55.306 55.803 0.018 0.000 0.889 589 Q CB 2.981 31.837 28.738 0.198 0.000 1.281 589 Q HN 0.685 nan 8.270 nan 0.000 0.456 590 R N 0.317 120.828 120.500 0.019 0.000 4.650 590 R HA 0.223 4.559 4.340 -0.006 0.000 0.128 590 R C -0.959 175.486 176.300 0.242 0.000 1.329 590 R CA -0.041 56.088 56.100 0.048 0.000 0.975 590 R CB 0.786 31.038 30.300 -0.081 0.000 1.371 590 R HN 0.567 nan 8.270 nan 0.000 0.424 591 F N 2.225 122.188 119.950 0.022 0.000 2.115 591 F HA -0.153 4.370 4.527 -0.006 0.000 0.478 591 F C -1.655 174.158 175.800 0.023 0.000 1.242 591 F CA 0.959 58.986 58.000 0.046 0.000 1.540 591 F CB -0.384 38.641 39.000 0.042 0.000 2.457 591 F HN 0.504 nan 8.300 nan 0.000 0.726 592 D N 2.894 123.394 120.400 0.166 0.000 2.478 592 D HA 0.488 5.125 4.640 -0.006 0.000 0.240 592 D C 0.366 176.717 176.300 0.085 0.000 1.364 592 D CA -0.218 53.842 54.000 0.099 0.000 0.987 592 D CB 1.568 42.398 40.800 0.050 0.000 1.328 592 D HN 0.676 nan 8.370 nan 0.000 0.584 593 E N 1.541 121.787 120.200 0.076 0.000 3.996 593 E HA -0.261 4.085 4.350 -0.006 0.000 0.219 593 E C 0.703 177.343 176.600 0.066 0.000 1.257 593 E CA 2.209 58.643 56.400 0.056 0.000 2.137 593 E CB -1.301 28.419 29.700 0.034 0.000 1.853 593 E HN 0.614 nan 8.360 nan 0.000 0.288 594 G N 1.449 110.283 108.800 0.057 0.000 3.444 594 G HA2 0.444 4.400 3.960 -0.006 0.000 0.315 594 G HA3 0.444 4.400 3.960 -0.006 0.000 0.315 594 G C -0.842 174.093 174.900 0.058 0.000 1.079 594 G CA 0.210 45.340 45.100 0.050 0.000 1.500 594 G HN 0.090 nan 8.290 nan 0.000 0.518 595 T N 0.449 115.064 114.554 0.101 0.000 2.881 595 T HA 0.469 4.815 4.350 -0.006 0.000 0.291 595 T C 0.648 175.431 174.700 0.138 0.000 0.990 595 T CA -0.524 61.635 62.100 0.099 0.000 0.976 595 T CB 1.677 70.621 68.868 0.126 0.000 0.970 595 T HN 0.366 nan 8.240 nan 0.000 0.438 596 T N 0.444 115.005 114.554 0.012 0.000 3.393 596 T HA 0.392 4.738 4.350 -0.006 0.000 0.298 596 T C 1.167 175.835 174.700 -0.053 0.000 1.004 596 T CA -0.465 61.649 62.100 0.024 0.000 0.956 596 T CB -0.632 68.226 68.868 -0.016 0.000 1.182 596 T HN 0.553 nan 8.240 nan 0.000 0.497 597 L N -1.403 119.737 121.223 -0.139 0.000 4.596 597 L HA -0.306 4.031 4.340 -0.006 0.000 0.380 597 L C 1.674 178.192 176.870 -0.587 0.000 0.745 597 L CA 1.756 56.427 54.840 -0.283 0.000 2.543 597 L CB -1.532 40.511 42.059 -0.027 0.000 0.940 597 L HN 0.345 nan 8.230 nan 0.000 0.663 598 L N 0.558 121.551 121.223 -0.383 0.000 2.375 598 L HA 0.107 4.443 4.340 -0.006 0.000 0.215 598 L C 1.226 177.846 176.870 -0.417 0.000 1.108 598 L CA 0.703 55.329 54.840 -0.356 0.000 0.830 598 L CB -0.073 41.879 42.059 -0.179 0.000 0.959 598 L HN 0.567 nan 8.230 nan 0.000 0.457 599 S N -0.407 115.054 115.700 -0.398 0.000 3.552 599 S HA -0.117 4.350 4.470 -0.006 0.000 0.351 599 S C -1.267 173.244 174.600 -0.148 0.000 0.819 599 S CA 0.082 58.121 58.200 -0.267 0.000 1.345 599 S CB -1.222 61.779 63.200 -0.332 0.000 1.425 599 S HN 0.239 nan 8.310 nan 0.000 0.546 600 P HA -0.084 nan 4.420 nan 0.000 0.218 600 P C 0.860 178.142 177.300 -0.029 0.000 1.149 600 P CA 1.288 64.357 63.100 -0.052 0.000 0.817 600 P CB 0.013 31.694 31.700 -0.032 0.000 0.785 601 K N -0.991 119.399 120.400 -0.018 0.000 2.404 601 K HA 0.024 4.340 4.320 -0.006 0.000 0.194 601 K C 0.282 176.887 176.600 0.008 0.000 1.023 601 K CA 0.162 56.449 56.287 -0.000 0.000 1.094 601 K CB -0.212 32.294 32.500 0.009 0.000 0.841 601 K HN -0.105 nan 8.250 nan 0.000 0.523 602 D N 0.880 121.283 120.400 0.007 0.000 3.059 602 D HA -0.155 4.481 4.640 -0.006 0.000 0.220 602 D C -0.791 175.569 176.300 0.099 0.000 1.169 602 D CA 0.612 54.644 54.000 0.054 0.000 0.902 602 D CB -1.039 39.781 40.800 0.035 0.000 1.116 602 D HN 0.178 nan 8.370 nan 0.000 0.417 603 N N 0.116 118.860 118.700 0.073 0.000 2.482 603 N HA 0.546 5.282 4.740 -0.006 0.000 0.260 603 N C 1.117 176.693 175.510 0.109 0.000 1.236 603 N CA 1.246 54.334 53.050 0.064 0.000 0.938 603 N CB 0.811 39.322 38.487 0.041 0.000 1.128 603 N HN 0.543 nan 8.380 nan 0.000 0.448 604 G N -0.440 108.372 108.800 0.020 0.000 2.582 604 G HA2 0.020 3.976 3.960 -0.006 0.000 0.222 604 G HA3 0.020 3.976 3.960 -0.006 0.000 0.222 604 G C -1.064 173.698 174.900 -0.231 0.000 1.311 604 G CA -0.360 44.699 45.100 -0.070 0.000 0.915 604 G HN 0.652 nan 8.290 nan 0.000 0.528 605 M N -0.795 118.545 119.600 -0.433 0.000 2.294 605 M HA 0.742 5.218 4.480 -0.006 0.000 0.280 605 M C -1.889 174.003 176.300 -0.679 0.000 1.085 605 M CA -0.548 54.427 55.300 -0.543 0.000 0.969 605 M CB 1.799 34.223 32.600 -0.292 0.000 1.770 605 M HN 1.459 nan 8.290 nan 0.000 0.485 606 L N 6.604 127.299 121.223 -0.880 0.000 2.446 606 L HA 0.796 5.133 4.340 -0.006 0.000 0.268 606 L C -2.046 174.576 176.870 -0.412 0.000 0.975 606 L CA -0.074 54.397 54.840 -0.614 0.000 0.848 606 L CB 1.389 43.065 42.059 -0.637 0.000 1.225 606 L HN 0.759 nan 8.230 nan 0.000 0.410 607 I N 6.146 126.527 120.570 -0.314 0.000 2.466 607 I HA 0.513 4.679 4.170 -0.006 0.000 0.289 607 I C -0.757 175.189 176.117 -0.285 0.000 1.026 607 I CA -0.402 60.755 61.300 -0.238 0.000 1.078 607 I CB 1.944 39.837 38.000 -0.178 0.000 1.249 607 I HN 0.456 nan 8.210 nan 0.000 0.429 608 I N 5.061 125.508 120.570 -0.204 0.000 2.498 608 I HA 0.280 4.447 4.170 -0.006 0.000 0.290 608 I C -0.313 175.789 176.117 -0.025 0.000 1.032 608 I CA -0.363 60.834 61.300 -0.170 0.000 1.073 608 I CB 1.818 39.740 38.000 -0.131 0.000 1.251 608 I HN 0.637 nan 8.210 nan 0.000 0.426 609 D N 4.941 125.367 120.400 0.042 0.000 2.772 609 D HA -0.180 4.457 4.640 -0.006 0.000 0.233 609 D C 1.004 177.321 176.300 0.028 0.000 1.143 609 D CA 1.612 55.645 54.000 0.055 0.000 0.700 609 D CB -0.768 40.072 40.800 0.067 0.000 1.076 609 D HN 1.141 nan 8.370 nan 0.000 0.430 610 G N -0.601 108.204 108.800 0.008 0.000 2.179 610 G HA2 -0.315 3.641 3.960 -0.006 0.000 0.257 610 G HA3 -0.315 3.641 3.960 -0.006 0.000 0.257 610 G C -0.119 174.774 174.900 -0.011 0.000 1.010 610 G CA 0.656 45.754 45.100 -0.004 0.000 0.736 610 G HN 0.488 nan 8.290 nan 0.000 0.513 611 Q N -0.499 119.289 119.800 -0.021 0.000 2.330 611 Q HA 0.538 4.874 4.340 -0.006 0.000 0.269 611 Q C 0.370 176.339 176.000 -0.052 0.000 1.022 611 Q CA -0.757 55.034 55.803 -0.019 0.000 0.796 611 Q CB 1.767 30.509 28.738 0.006 0.000 1.271 611 Q HN 0.426 nan 8.270 nan 0.000 0.450 612 I N 3.534 124.068 120.570 -0.058 0.000 2.505 612 I HA 0.004 4.170 4.170 -0.006 0.000 0.287 612 I C 1.329 177.408 176.117 -0.063 0.000 1.104 612 I CA 0.246 61.492 61.300 -0.090 0.000 1.387 612 I CB 0.322 38.264 38.000 -0.097 0.000 1.404 612 I HN 0.600 nan 8.210 nan 0.000 0.528 613 I N 6.276 126.796 120.570 -0.084 0.000 2.368 613 I HA 0.060 4.226 4.170 -0.006 0.000 0.238 613 I C 0.233 176.404 176.117 0.090 0.000 1.076 613 I CA 0.834 62.136 61.300 0.003 0.000 1.397 613 I CB 0.184 38.198 38.000 0.022 0.000 1.141 613 I HN 0.538 nan 8.210 nan 0.000 0.430 614 F N -0.034 119.863 119.950 -0.089 0.000 2.654 614 F HA 0.765 5.288 4.527 -0.006 0.000 0.308 614 F C -0.624 175.109 175.800 -0.111 0.000 1.108 614 F CA -0.916 57.028 58.000 -0.095 0.000 0.957 614 F CB 1.192 40.137 39.000 -0.092 0.000 1.309 614 F HN 0.046 nan 8.300 nan 0.000 0.446 615 G N 1.343 110.154 108.800 0.018 0.000 2.653 615 G HA2 0.343 4.299 3.960 -0.006 0.000 0.656 615 G HA3 0.343 4.299 3.960 -0.006 0.000 0.656 615 G C -1.928 172.923 174.900 -0.082 0.000 1.419 615 G CA -0.679 44.368 45.100 -0.090 0.000 0.862 615 G HN 1.150 nan 8.290 nan 0.000 0.639 616 V N 1.973 121.856 119.914 -0.051 0.000 2.439 616 V HA 0.318 4.434 4.120 -0.006 0.000 0.271 616 V C 1.113 177.157 176.094 -0.084 0.000 1.040 616 V CA -0.541 61.719 62.300 -0.066 0.000 1.002 616 V CB 1.188 32.986 31.823 -0.042 0.000 1.000 616 V HN 0.762 nan 8.190 nan 0.000 0.477 617 V N 6.076 125.929 119.914 -0.102 0.000 2.427 617 V HA 0.313 4.429 4.120 -0.006 0.000 0.268 617 V C 0.375 176.420 176.094 -0.082 0.000 1.046 617 V CA 0.176 62.415 62.300 -0.102 0.000 0.970 617 V CB 0.158 31.910 31.823 -0.117 0.000 1.001 617 V HN 1.023 nan 8.190 nan 0.000 0.476 618 E N 2.678 122.840 120.200 -0.064 0.000 2.334 618 E HA 0.332 4.678 4.350 -0.006 0.000 0.200 618 E C 0.789 177.371 176.600 -0.030 0.000 0.855 618 E CA -0.904 55.469 56.400 -0.045 0.000 0.882 618 E CB 0.999 30.678 29.700 -0.035 0.000 1.993 618 E HN 0.370 nan 8.360 nan 0.000 0.412 619 K N 0.967 121.359 120.400 -0.013 0.000 2.057 619 K HA -0.087 4.230 4.320 -0.006 0.000 0.207 619 K C 1.048 177.649 176.600 0.001 0.000 1.049 619 K CA 1.437 57.725 56.287 0.002 0.000 0.931 619 K CB 0.056 32.564 32.500 0.013 0.000 0.714 619 K HN 0.099 nan 8.250 nan 0.000 0.440 620 K N -0.103 120.293 120.400 -0.007 0.000 2.546 620 K HA 0.022 4.339 4.320 -0.006 0.000 0.198 620 K C 0.616 177.202 176.600 -0.024 0.000 1.028 620 K CA 0.418 56.700 56.287 -0.009 0.000 1.150 620 K CB 0.572 33.066 32.500 -0.010 0.000 0.876 620 K HN 0.165 nan 8.250 nan 0.000 0.508 621 T N -1.363 113.171 114.554 -0.033 0.000 3.388 621 T HA -0.008 4.338 4.350 -0.006 0.000 0.254 621 T C 1.093 175.764 174.700 -0.049 0.000 1.002 621 T CA -0.151 61.917 62.100 -0.052 0.000 1.164 621 T CB 0.200 69.021 68.868 -0.079 0.000 1.184 621 T HN -0.019 nan 8.240 nan 0.000 0.399 622 V N 1.941 121.824 119.914 -0.051 0.000 3.542 622 V HA 0.504 4.620 4.120 -0.006 0.000 0.296 622 V C 0.995 177.072 176.094 -0.028 0.000 1.364 622 V CA 0.377 62.638 62.300 -0.064 0.000 1.118 622 V CB -0.440 31.334 31.823 -0.082 0.000 0.972 622 V HN 0.502 nan 8.190 nan 0.000 0.430 623 G N 0.043 108.846 108.800 0.004 0.000 2.543 623 G HA2 0.281 4.237 3.960 -0.006 0.000 0.267 623 G HA3 0.281 4.237 3.960 -0.006 0.000 0.267 623 G C 0.605 175.544 174.900 0.065 0.000 1.406 623 G CA 0.396 45.522 45.100 0.044 0.000 1.048 623 G HN 0.533 nan 8.290 nan 0.000 0.548 624 S N -0.425 115.324 115.700 0.081 0.000 2.767 624 S HA 0.288 4.754 4.470 -0.006 0.000 0.253 624 S C 0.885 175.537 174.600 0.086 0.000 1.082 624 S CA 0.089 58.343 58.200 0.090 0.000 1.148 624 S CB -0.863 62.388 63.200 0.085 0.000 0.808 624 S HN 0.822 nan 8.310 nan 0.000 0.466 625 S N 1.027 116.774 115.700 0.077 0.000 2.624 625 S HA 0.295 4.762 4.470 -0.006 0.000 0.263 625 S C 1.050 175.718 174.600 0.113 0.000 1.287 625 S CA -0.491 57.752 58.200 0.071 0.000 0.990 625 S CB 0.414 63.636 63.200 0.037 0.000 0.950 625 S HN 0.326 nan 8.310 nan 0.000 0.561 626 N N 1.272 120.022 118.700 0.082 0.000 2.039 626 N HA 0.002 4.738 4.740 -0.006 0.000 0.193 626 N C 1.339 176.850 175.510 0.002 0.000 1.044 626 N CA 1.745 54.850 53.050 0.092 0.000 0.847 626 N CB -0.945 37.542 38.487 0.001 0.000 1.030 626 N HN 0.849 nan 8.380 nan 0.000 0.422 627 G N -0.538 108.232 108.800 -0.049 0.000 3.782 627 G HA2 0.433 4.389 3.960 -0.006 0.000 0.288 627 G HA3 0.433 4.389 3.960 -0.006 0.000 0.288 627 G C 0.353 175.233 174.900 -0.033 0.000 1.300 627 G CA -0.091 44.951 45.100 -0.097 0.000 1.261 627 G HN 0.428 nan 8.290 nan 0.000 0.591 628 G N -0.613 108.205 108.800 0.030 0.000 2.599 628 G HA2 0.317 4.274 3.960 -0.006 0.000 0.264 628 G HA3 0.317 4.274 3.960 -0.006 0.000 0.264 628 G C 1.005 175.919 174.900 0.024 0.000 1.200 628 G CA -0.682 44.437 45.100 0.030 0.000 0.896 628 G HN 0.259 nan 8.290 nan 0.000 0.536 629 L N 0.364 121.575 121.223 -0.020 0.000 2.083 629 L HA -0.060 4.276 4.340 -0.006 0.000 0.209 629 L C 2.720 179.565 176.870 -0.042 0.000 1.083 629 L CA 1.080 55.893 54.840 -0.045 0.000 0.752 629 L CB -0.213 41.794 42.059 -0.087 0.000 0.899 629 L HN 0.624 nan 8.230 nan 0.000 0.433 630 I N -1.170 119.367 120.570 -0.055 0.000 2.142 630 I HA -0.387 3.779 4.170 -0.006 0.000 0.240 630 I C 2.403 178.548 176.117 0.046 0.000 1.078 630 I CA 1.759 63.018 61.300 -0.069 0.000 1.343 630 I CB -0.630 37.331 38.000 -0.065 0.000 1.046 630 I HN 0.329 nan 8.210 nan 0.000 0.405 631 H N 0.335 119.402 119.070 -0.004 0.000 2.321 631 H HA -0.199 4.353 4.556 -0.006 0.000 0.295 631 H C 2.276 177.608 175.328 0.008 0.000 1.102 631 H CA 2.087 58.142 56.048 0.012 0.000 1.266 631 H CB 0.173 29.945 29.762 0.017 0.000 1.363 631 H HN 0.067 nan 8.280 nan 0.000 0.492 632 V N -0.413 119.609 119.914 0.179 0.000 2.270 632 V HA -0.239 3.877 4.120 -0.006 0.000 0.245 632 V C 2.475 178.617 176.094 0.079 0.000 1.043 632 V CA 1.599 63.961 62.300 0.102 0.000 1.014 632 V CB -0.408 31.444 31.823 0.048 0.000 0.645 632 V HN 0.328 nan 8.190 nan 0.000 0.447 633 V N 0.079 120.019 119.914 0.044 0.000 2.407 633 V HA -0.250 3.866 4.120 -0.006 0.000 0.248 633 V C 2.568 178.683 176.094 0.035 0.000 1.055 633 V CA 2.440 64.756 62.300 0.025 0.000 1.049 633 V CB -1.175 30.639 31.823 -0.015 0.000 0.662 633 V HN 0.639 nan 8.190 nan 0.000 0.455 634 T N -0.335 114.243 114.554 0.039 0.000 2.759 634 T HA -0.196 4.150 4.350 -0.006 0.000 0.269 634 T C 2.058 176.777 174.700 0.032 0.000 1.042 634 T CA 1.518 63.639 62.100 0.034 0.000 1.140 634 T CB -0.163 68.714 68.868 0.016 0.000 0.864 634 T HN 0.436 nan 8.240 nan 0.000 0.455 635 R N 0.216 120.748 120.500 0.052 0.000 2.087 635 R HA 0.127 4.463 4.340 -0.006 0.000 0.216 635 R C 2.537 178.879 176.300 0.070 0.000 1.114 635 R CA 0.742 56.879 56.100 0.060 0.000 1.002 635 R CB -0.196 30.157 30.300 0.087 0.000 0.903 635 R HN 0.247 nan 8.270 nan 0.000 0.445 636 E N 0.894 121.138 120.200 0.073 0.000 2.150 636 E HA -0.114 4.233 4.350 -0.006 0.000 0.193 636 E C 1.557 178.196 176.600 0.065 0.000 0.985 636 E CA 1.379 57.822 56.400 0.072 0.000 0.814 636 E CB 0.299 30.045 29.700 0.076 0.000 0.752 636 E HN -0.033 nan 8.360 nan 0.000 0.466 637 K N -1.373 119.060 120.400 0.054 0.000 2.329 637 K HA 0.309 4.625 4.320 -0.006 0.000 0.198 637 K C 0.465 177.090 176.600 0.041 0.000 1.085 637 K CA 0.855 57.169 56.287 0.046 0.000 0.961 637 K CB 1.249 33.771 32.500 0.037 0.000 0.971 637 K HN 0.157 nan 8.250 nan 0.000 0.502 638 G N 1.157 109.981 108.800 0.040 0.000 2.362 638 G HA2 -0.088 3.868 3.960 -0.006 0.000 0.656 638 G HA3 -0.088 3.868 3.960 -0.006 0.000 0.656 638 G C -2.585 172.334 174.900 0.032 0.000 1.376 638 G CA -0.523 44.598 45.100 0.035 0.000 0.971 638 G HN -0.222 nan 8.290 nan 0.000 0.636 639 P HA -0.086 nan 4.420 nan 0.000 0.216 639 P C 1.380 178.701 177.300 0.035 0.000 1.153 639 P CA 1.273 64.388 63.100 0.025 0.000 0.844 639 P CB 0.182 31.886 31.700 0.005 0.000 0.787 640 Q N -0.356 119.460 119.800 0.025 0.000 2.230 640 Q HA -0.021 4.315 4.340 -0.006 0.000 0.202 640 Q C 2.261 178.283 176.000 0.036 0.000 0.963 640 Q CA 0.909 56.727 55.803 0.025 0.000 0.866 640 Q CB -0.708 28.038 28.738 0.013 0.000 0.931 640 Q HN 0.190 nan 8.270 nan 0.000 0.452 641 V N -0.221 119.714 119.914 0.036 0.000 2.453 641 V HA -0.211 3.905 4.120 -0.006 0.000 0.247 641 V C 2.399 178.517 176.094 0.041 0.000 1.048 641 V CA 1.398 63.718 62.300 0.034 0.000 1.049 641 V CB -0.658 31.182 31.823 0.028 0.000 0.672 641 V HN 0.401 nan 8.190 nan 0.000 0.457 642 C N 0.445 119.778 119.300 0.056 0.000 2.450 642 C HA 0.090 4.546 4.460 -0.006 0.000 0.279 642 C C 3.058 178.163 174.990 0.192 0.000 1.335 642 C CA 0.534 59.597 59.018 0.076 0.000 1.749 642 C CB -1.135 26.662 27.740 0.095 0.000 1.963 642 C HN 0.573 nan 8.230 nan 0.000 0.501 643 A N 0.516 123.435 122.820 0.166 0.000 1.902 643 A HA -0.184 4.132 4.320 -0.006 0.000 0.217 643 A C 2.218 179.896 177.584 0.156 0.000 1.181 643 A CA 1.806 53.945 52.037 0.170 0.000 0.623 643 A CB -0.537 18.504 19.000 0.069 0.000 0.818 643 A HN 0.733 nan 8.150 nan 0.000 0.443 644 K N -0.928 119.531 120.400 0.098 0.000 2.057 644 K HA -0.079 4.237 4.320 -0.006 0.000 0.206 644 K C 1.921 178.569 176.600 0.080 0.000 1.050 644 K CA 1.267 57.600 56.287 0.077 0.000 0.935 644 K CB -0.367 32.162 32.500 0.049 0.000 0.715 644 K HN 0.387 nan 8.250 nan 0.000 0.439 645 L N 0.646 121.901 121.223 0.054 0.000 2.042 645 L HA -0.166 4.171 4.340 -0.006 0.000 0.210 645 L C 1.903 178.754 176.870 -0.032 0.000 1.076 645 L CA 1.663 56.489 54.840 -0.022 0.000 0.749 645 L CB -0.439 41.560 42.059 -0.101 0.000 0.893 645 L HN 0.059 nan 8.230 nan 0.000 0.432 646 F N -0.232 119.726 119.950 0.014 0.000 2.126 646 F HA -0.177 4.346 4.527 -0.006 0.000 0.299 646 F C 2.385 178.201 175.800 0.027 0.000 1.096 646 F CA 1.682 59.693 58.000 0.019 0.000 1.255 646 F CB -1.013 37.999 39.000 0.019 0.000 0.997 646 F HN 0.232 nan 8.300 nan 0.000 0.479 647 G N -0.631 108.302 108.800 0.221 0.000 2.394 647 G HA2 -0.228 3.729 3.960 -0.006 0.000 0.215 647 G HA3 -0.228 3.729 3.960 -0.006 0.000 0.215 647 G C 1.507 176.472 174.900 0.108 0.000 1.165 647 G CA 0.817 46.004 45.100 0.146 0.000 0.784 647 G HN 0.221 nan 8.290 nan 0.000 0.535 648 N N 0.822 119.570 118.700 0.079 0.000 2.084 648 N HA -0.052 4.684 4.740 -0.006 0.000 0.190 648 N C 2.197 177.726 175.510 0.032 0.000 1.030 648 N CA 0.835 53.917 53.050 0.054 0.000 0.849 648 N CB -0.311 38.197 38.487 0.035 0.000 1.012 648 N HN 0.358 nan 8.380 nan 0.000 0.423 649 I N 1.092 121.668 120.570 0.009 0.000 2.252 649 I HA -0.264 3.903 4.170 -0.006 0.000 0.245 649 I C 2.334 178.457 176.117 0.010 0.000 1.102 649 I CA 1.036 62.327 61.300 -0.016 0.000 1.385 649 I CB -0.267 37.699 38.000 -0.057 0.000 1.064 649 I HN 0.175 nan 8.210 nan 0.000 0.414 650 Q N 0.891 120.721 119.800 0.051 0.000 2.030 650 Q HA -0.249 4.087 4.340 -0.006 0.000 0.204 650 Q C 2.265 178.285 176.000 0.033 0.000 0.986 650 Q CA 1.701 57.541 55.803 0.062 0.000 0.843 650 Q CB -0.100 28.700 28.738 0.104 0.000 0.904 650 Q HN 0.435 nan 8.270 nan 0.000 0.420 651 K N -0.234 120.199 120.400 0.055 0.000 2.103 651 K HA -0.142 4.174 4.320 -0.006 0.000 0.207 651 K C 2.035 178.557 176.600 -0.130 0.000 1.048 651 K CA 1.332 57.642 56.287 0.039 0.000 0.930 651 K CB -0.014 32.632 32.500 0.243 0.000 0.716 651 K HN 0.035 nan 8.250 nan 0.000 0.444 652 V N 0.342 120.225 119.914 -0.052 0.000 2.273 652 V HA -0.186 3.930 4.120 -0.006 0.000 0.242 652 V C 2.193 178.280 176.094 -0.012 0.000 1.035 652 V CA 1.316 63.576 62.300 -0.067 0.000 1.013 652 V CB -0.272 31.525 31.823 -0.044 0.000 0.652 652 V HN 0.049 nan 8.190 nan 0.000 0.452 653 V N 0.958 120.871 119.914 -0.003 0.000 2.287 653 V HA -0.259 3.857 4.120 -0.006 0.000 0.248 653 V C 2.396 178.551 176.094 0.100 0.000 1.053 653 V CA 2.219 64.549 62.300 0.049 0.000 1.027 653 V CB -0.919 30.910 31.823 0.011 0.000 0.646 653 V HN 0.567 nan 8.190 nan 0.000 0.447 654 N N -0.261 118.455 118.700 0.027 0.000 2.104 654 N HA -0.207 4.529 4.740 -0.006 0.000 0.190 654 N C 1.717 177.210 175.510 -0.028 0.000 1.024 654 N CA 1.804 54.856 53.050 0.004 0.000 0.853 654 N CB -0.513 37.962 38.487 -0.020 0.000 1.008 654 N HN 0.556 nan 8.380 nan 0.000 0.424 655 F N -0.035 119.736 119.950 -0.299 0.000 2.146 655 F HA -0.124 4.399 4.527 -0.007 0.000 0.298 655 F C 2.321 178.046 175.800 -0.125 0.000 1.096 655 F CA 1.117 58.880 58.000 -0.394 0.000 1.275 655 F CB -0.451 37.982 39.000 -0.944 0.000 1.008 655 F HN 0.098 nan 8.300 nan 0.000 0.480 656 W N 0.529 121.683 121.300 -0.243 0.000 2.409 656 W HA -0.144 4.512 4.660 -0.007 0.000 0.299 656 W C 2.069 178.494 176.519 -0.158 0.000 1.203 656 W CA 1.621 58.822 57.345 -0.240 0.000 1.298 656 W CB -0.554 28.838 29.460 -0.113 0.000 1.127 656 W HN 0.116 nan 8.180 nan 0.000 0.528 657 L N 0.823 122.071 121.223 0.041 0.000 2.131 657 L HA -0.145 4.191 4.340 -0.006 0.000 0.210 657 L C 2.333 179.081 176.870 -0.203 0.000 1.092 657 L CA 1.843 56.618 54.840 -0.109 0.000 0.759 657 L CB -1.167 40.937 42.059 0.075 0.000 0.903 657 L HN 0.196 nan 8.230 nan 0.000 0.435 658 L N -1.140 119.985 121.223 -0.162 0.000 2.083 658 L HA -0.213 4.123 4.340 -0.006 0.000 0.209 658 L C 2.113 178.816 176.870 -0.280 0.000 1.083 658 L CA 1.937 56.675 54.840 -0.170 0.000 0.752 658 L CB -0.718 41.271 42.059 -0.117 0.000 0.899 658 L HN 0.385 nan 8.230 nan 0.000 0.433 659 H N -1.939 116.838 119.070 -0.489 0.000 2.525 659 H HA 0.107 4.659 4.556 -0.007 0.000 0.275 659 H C 2.020 177.063 175.328 -0.474 0.000 0.984 659 H CA 1.049 56.819 56.048 -0.465 0.000 1.264 659 H CB -0.016 29.421 29.762 -0.540 0.000 1.432 659 H HN 0.455 nan 8.280 nan 0.000 0.549 660 N N 0.073 118.436 118.700 -0.562 0.000 2.251 660 N HA 0.023 4.759 4.740 -0.006 0.000 0.181 660 N C 0.221 175.537 175.510 -0.322 0.000 1.019 660 N CA 0.924 53.609 53.050 -0.608 0.000 0.862 660 N CB 0.441 38.193 38.487 -1.226 0.000 0.992 660 N HN 0.397 nan 8.380 nan 0.000 0.429 661 G N -0.515 108.135 108.800 -0.251 0.000 2.767 661 G HA2 -0.114 3.842 3.960 -0.006 0.000 0.686 661 G HA3 -0.114 3.842 3.960 -0.006 0.000 0.686 661 G C -1.072 173.853 174.900 0.042 0.000 1.213 661 G CA -0.129 44.908 45.100 -0.105 0.000 0.803 661 G HN 0.388 nan 8.290 nan 0.000 0.603 662 F N 2.078 121.968 119.950 -0.100 0.000 2.650 662 F HA 0.794 5.317 4.527 -0.007 0.000 0.310 662 F C -0.035 175.740 175.800 -0.042 0.000 1.112 662 F CA 0.297 58.262 58.000 -0.058 0.000 0.986 662 F CB 1.931 40.911 39.000 -0.033 0.000 1.285 662 F HN 1.689 nan 8.300 nan 0.000 0.440 663 S N 2.176 117.274 115.700 -1.004 0.000 2.688 663 S HA 0.904 5.371 4.470 -0.006 0.000 0.275 663 S C -1.226 172.882 174.600 -0.819 0.000 1.175 663 S CA -0.193 57.562 58.200 -0.742 0.000 0.818 663 S CB 1.776 64.772 63.200 -0.340 0.000 1.157 663 S HN 1.183 nan 8.310 nan 0.000 0.482 664 T N -1.607 112.687 114.554 -0.433 0.000 2.912 664 T HA 0.869 5.216 4.350 -0.006 0.000 0.299 664 T C 0.097 174.705 174.700 -0.154 0.000 1.052 664 T CA -0.314 61.628 62.100 -0.265 0.000 0.996 664 T CB 1.177 69.939 68.868 -0.176 0.000 1.070 664 T HN 1.456 nan 8.240 nan 0.000 0.465 665 G N 0.651 109.388 108.800 -0.106 0.000 3.022 665 G HA2 0.554 4.510 3.960 -0.006 0.000 0.284 665 G HA3 0.554 4.510 3.960 -0.006 0.000 0.284 665 G C 0.556 175.430 174.900 -0.044 0.000 1.375 665 G CA -0.742 44.315 45.100 -0.070 0.000 0.902 665 G HN 0.878 nan 8.290 nan 0.000 0.538 666 I N -1.094 119.457 120.570 -0.032 0.000 2.493 666 I HA 0.138 4.304 4.170 -0.006 0.000 0.254 666 I C 2.390 178.500 176.117 -0.012 0.000 1.160 666 I CA 1.513 62.803 61.300 -0.017 0.000 1.445 666 I CB -0.633 37.360 38.000 -0.012 0.000 1.086 666 I HN 0.440 nan 8.210 nan 0.000 0.433 667 G N 0.607 109.397 108.800 -0.016 0.000 2.470 667 G HA2 -0.167 3.789 3.960 -0.006 0.000 0.220 667 G HA3 -0.167 3.789 3.960 -0.006 0.000 0.220 667 G C 1.162 176.059 174.900 -0.005 0.000 1.121 667 G CA 0.677 45.772 45.100 -0.010 0.000 0.766 667 G HN 0.439 nan 8.290 nan 0.000 0.553 668 D N 0.080 120.475 120.400 -0.008 0.000 2.352 668 D HA 0.006 4.643 4.640 -0.006 0.000 0.232 668 D C 1.745 178.048 176.300 0.005 0.000 1.055 668 D CA 0.763 54.763 54.000 0.001 0.000 0.891 668 D CB 0.363 41.161 40.800 -0.003 0.000 0.897 668 D HN 0.309 nan 8.370 nan 0.000 0.529 669 T N -0.320 114.236 114.554 0.005 0.000 3.026 669 T HA 0.186 4.532 4.350 -0.006 0.000 0.245 669 T C 1.218 175.924 174.700 0.009 0.000 1.004 669 T CA -0.221 61.885 62.100 0.010 0.000 1.069 669 T CB 0.886 69.764 68.868 0.017 0.000 1.005 669 T HN 0.007 nan 8.240 nan 0.000 0.472 670 I N 2.559 123.134 120.570 0.008 0.000 2.421 670 I HA 0.317 4.484 4.170 -0.006 0.000 0.291 670 I C 1.439 177.560 176.117 0.008 0.000 1.089 670 I CA -0.627 60.678 61.300 0.008 0.000 1.354 670 I CB 0.837 38.841 38.000 0.006 0.000 1.413 670 I HN 0.160 nan 8.210 nan 0.000 0.513 671 A N 5.004 127.828 122.820 0.008 0.000 1.838 671 A HA 0.029 4.346 4.320 -0.006 0.000 0.215 671 A C 0.450 178.041 177.584 0.012 0.000 1.273 671 A CA 1.314 53.356 52.037 0.010 0.000 0.602 671 A CB -0.029 18.976 19.000 0.008 0.000 0.934 671 A HN 0.728 nan 8.150 nan 0.000 0.461 672 D N -5.100 115.307 120.400 0.012 0.000 2.745 672 D HA 0.424 5.060 4.640 -0.006 0.000 0.221 672 D C 0.790 177.097 176.300 0.012 0.000 1.237 672 D CA 0.312 54.319 54.000 0.013 0.000 0.781 672 D CB 0.538 41.347 40.800 0.015 0.000 1.575 672 D HN 0.232 nan 8.370 nan 0.000 0.482 673 G N 2.289 111.096 108.800 0.011 0.000 2.628 673 G HA2 -0.196 3.761 3.960 -0.006 0.000 0.217 673 G HA3 -0.196 3.761 3.960 -0.006 0.000 0.217 673 G C -0.911 173.995 174.900 0.012 0.000 1.240 673 G CA 1.323 46.429 45.100 0.010 0.000 0.792 673 G HN 0.546 nan 8.290 nan 0.000 0.593 674 P HA -0.066 nan 4.420 nan 0.000 0.217 674 P C 1.985 179.295 177.300 0.015 0.000 1.148 674 P CA 1.897 65.005 63.100 0.013 0.000 0.828 674 P CB -0.241 31.467 31.700 0.014 0.000 0.783 675 T N -1.037 113.527 114.554 0.016 0.000 2.732 675 T HA -0.064 4.282 4.350 -0.006 0.000 0.261 675 T C 1.763 176.473 174.700 0.017 0.000 1.040 675 T CA 1.153 63.264 62.100 0.018 0.000 1.145 675 T CB -0.611 68.268 68.868 0.018 0.000 0.866 675 T HN 0.003 nan 8.240 nan 0.000 0.427 676 M N 1.019 120.627 119.600 0.014 0.000 2.202 676 M HA -0.028 4.448 4.480 -0.006 0.000 0.262 676 M C 2.350 178.658 176.300 0.014 0.000 1.063 676 M CA 1.225 56.533 55.300 0.012 0.000 1.097 676 M CB -0.931 31.675 32.600 0.010 0.000 1.382 676 M HN 0.203 nan 8.290 nan 0.000 0.413 677 R N 0.420 120.929 120.500 0.014 0.000 2.075 677 R HA -0.148 4.188 4.340 -0.006 0.000 0.232 677 R C 1.929 178.239 176.300 0.017 0.000 1.126 677 R CA 1.534 57.643 56.100 0.015 0.000 0.963 677 R CB -0.092 30.216 30.300 0.013 0.000 0.858 677 R HN 0.409 nan 8.270 nan 0.000 0.435 678 E N 0.083 120.294 120.200 0.018 0.000 2.208 678 E HA -0.096 4.250 4.350 -0.006 0.000 0.193 678 E C 1.926 178.540 176.600 0.024 0.000 0.988 678 E CA 0.690 57.102 56.400 0.020 0.000 0.828 678 E CB 0.078 29.790 29.700 0.021 0.000 0.763 678 E HN 0.387 nan 8.360 nan 0.000 0.478 679 I N 0.377 120.961 120.570 0.025 0.000 2.353 679 I HA -0.214 3.952 4.170 -0.006 0.000 0.248 679 I C 2.221 178.358 176.117 0.033 0.000 1.119 679 I CA 1.002 62.319 61.300 0.029 0.000 1.417 679 I CB -0.204 37.810 38.000 0.024 0.000 1.078 679 I HN 0.097 nan 8.210 nan 0.000 0.421 680 T N 0.788 115.359 114.554 0.028 0.000 2.720 680 T HA -0.235 4.112 4.350 -0.006 0.000 0.268 680 T C 1.659 176.378 174.700 0.031 0.000 1.037 680 T CA 1.920 64.039 62.100 0.031 0.000 1.144 680 T CB -0.405 68.478 68.868 0.025 0.000 0.864 680 T HN 0.619 nan 8.240 nan 0.000 0.444 681 E N 0.776 120.990 120.200 0.024 0.000 2.285 681 E HA -0.055 4.292 4.350 -0.006 0.000 0.194 681 E C 1.875 178.485 176.600 0.016 0.000 0.997 681 E CA 1.050 57.460 56.400 0.017 0.000 0.845 681 E CB -0.530 29.178 29.700 0.013 0.000 0.782 681 E HN 0.289 nan 8.360 nan 0.000 0.491 682 T N 1.545 116.113 114.554 0.024 0.000 2.777 682 T HA -0.040 4.306 4.350 -0.006 0.000 0.266 682 T C 1.843 176.560 174.700 0.028 0.000 1.040 682 T CA 1.317 63.433 62.100 0.026 0.000 1.141 682 T CB -0.170 68.720 68.868 0.038 0.000 0.868 682 T HN 0.195 nan 8.240 nan 0.000 0.444 683 I N 1.287 121.886 120.570 0.048 0.000 2.546 683 I HA -0.011 4.155 4.170 -0.006 0.000 0.255 683 I C 2.828 178.956 176.117 0.018 0.000 1.163 683 I CA 0.659 61.998 61.300 0.065 0.000 1.457 683 I CB -0.422 37.663 38.000 0.142 0.000 1.092 683 I HN 0.154 nan 8.210 nan 0.000 0.434 684 A N 1.590 124.420 122.820 0.017 0.000 1.930 684 A HA -0.211 4.105 4.320 -0.006 0.000 0.217 684 A C 2.257 179.825 177.584 -0.025 0.000 1.175 684 A CA 1.757 53.795 52.037 0.001 0.000 0.627 684 A CB -0.588 18.419 19.000 0.011 0.000 0.815 684 A HN 0.625 nan 8.150 nan 0.000 0.443 685 E N -0.257 119.925 120.200 -0.029 0.000 2.358 685 E HA 0.184 4.530 4.350 -0.006 0.000 0.195 685 E C 1.736 178.283 176.600 -0.088 0.000 1.010 685 E CA 0.810 57.180 56.400 -0.050 0.000 0.856 685 E CB -0.276 29.401 29.700 -0.039 0.000 0.795 685 E HN 0.414 nan 8.360 nan 0.000 0.504 686 A N 1.832 124.599 122.820 -0.088 0.000 1.929 686 A HA -0.115 4.201 4.320 -0.006 0.000 0.216 686 A C 2.046 179.526 177.584 -0.174 0.000 1.176 686 A CA 1.322 53.278 52.037 -0.135 0.000 0.628 686 A CB -0.266 18.664 19.000 -0.115 0.000 0.816 686 A HN 0.154 nan 8.150 nan 0.000 0.444 687 K N -0.463 119.851 120.400 -0.143 0.000 2.097 687 K HA -0.138 4.179 4.320 -0.006 0.000 0.205 687 K C 2.090 178.633 176.600 -0.095 0.000 1.050 687 K CA 1.534 57.747 56.287 -0.125 0.000 0.938 687 K CB -0.091 32.364 32.500 -0.075 0.000 0.718 687 K HN 0.280 nan 8.250 nan 0.000 0.442 688 K N 1.665 122.011 120.400 -0.090 0.000 2.097 688 K HA -0.118 4.198 4.320 -0.006 0.000 0.205 688 K C 1.858 178.388 176.600 -0.117 0.000 1.050 688 K CA 1.402 57.642 56.287 -0.080 0.000 0.938 688 K CB 0.071 32.531 32.500 -0.067 0.000 0.718 688 K HN -0.063 nan 8.250 nan 0.000 0.442 689 K N -0.407 119.878 120.400 -0.192 0.000 2.097 689 K HA -0.062 4.254 4.320 -0.006 0.000 0.205 689 K C 1.674 178.095 176.600 -0.297 0.000 1.050 689 K CA 1.103 57.196 56.287 -0.322 0.000 0.938 689 K CB 0.152 32.330 32.500 -0.537 0.000 0.718 689 K HN -0.033 nan 8.250 nan 0.000 0.442 690 V N 1.250 121.048 119.914 -0.193 0.000 2.379 690 V HA -0.213 3.903 4.120 -0.006 0.000 0.245 690 V C 2.155 178.262 176.094 0.022 0.000 1.044 690 V CA 1.227 63.494 62.300 -0.055 0.000 1.036 690 V CB -0.322 31.470 31.823 -0.053 0.000 0.664 690 V HN 0.305 nan 8.190 nan 0.000 0.453 691 L N 0.228 121.447 121.223 -0.008 0.000 2.083 691 L HA -0.179 4.157 4.340 -0.006 0.000 0.209 691 L C 2.101 178.984 176.870 0.022 0.000 1.083 691 L CA 1.993 56.846 54.840 0.021 0.000 0.752 691 L CB -0.727 41.333 42.059 0.002 0.000 0.899 691 L HN 0.305 nan 8.230 nan 0.000 0.433 692 D N -1.114 119.280 120.400 -0.010 0.000 2.144 692 D HA -0.135 4.501 4.640 -0.006 0.000 0.200 692 D C 2.288 178.608 176.300 0.033 0.000 0.978 692 D CA 1.481 55.477 54.000 -0.006 0.000 0.833 692 D CB 0.004 40.778 40.800 -0.044 0.000 0.961 692 D HN 0.270 nan 8.370 nan 0.000 0.470 693 V N 1.046 120.999 119.914 0.065 0.000 2.453 693 V HA -0.181 3.936 4.120 -0.006 0.000 0.247 693 V C 2.458 178.688 176.094 0.227 0.000 1.048 693 V CA 1.643 64.043 62.300 0.167 0.000 1.049 693 V CB -0.630 31.339 31.823 0.243 0.000 0.672 693 V HN 0.204 nan 8.190 nan 0.000 0.457 694 T N -0.193 114.499 114.554 0.231 0.000 2.622 694 T HA -0.216 4.130 4.350 -0.006 0.000 0.266 694 T C 1.994 176.705 174.700 0.019 0.000 1.047 694 T CA 1.332 63.531 62.100 0.164 0.000 1.159 694 T CB -0.242 68.722 68.868 0.161 0.000 0.863 694 T HN 0.278 nan 8.240 nan 0.000 0.422 695 K N 0.873 121.290 120.400 0.028 0.000 2.148 695 K HA -0.007 4.309 4.320 -0.006 0.000 0.204 695 K C 2.291 178.888 176.600 -0.005 0.000 1.050 695 K CA 0.919 57.207 56.287 0.001 0.000 0.942 695 K CB -0.249 32.256 32.500 0.008 0.000 0.724 695 K HN 0.502 nan 8.250 nan 0.000 0.446 696 E N 0.210 120.420 120.200 0.016 0.000 2.152 696 E HA -0.070 4.276 4.350 -0.006 0.000 0.192 696 E C 1.626 178.227 176.600 0.002 0.000 0.983 696 E CA 0.749 57.160 56.400 0.018 0.000 0.818 696 E CB 0.136 29.861 29.700 0.042 0.000 0.758 696 E HN 0.261 nan 8.360 nan 0.000 0.467 697 A N 0.149 122.961 122.820 -0.014 0.000 2.081 697 A HA -0.040 4.276 4.320 -0.006 0.000 0.214 697 A C 1.825 179.313 177.584 -0.160 0.000 1.158 697 A CA 0.382 52.367 52.037 -0.085 0.000 0.724 697 A CB -0.055 18.860 19.000 -0.141 0.000 0.826 697 A HN 0.179 nan 8.150 nan 0.000 0.463 698 Q N -0.343 119.369 119.800 -0.147 0.000 2.436 698 Q HA 0.187 4.523 4.340 -0.006 0.000 0.209 698 Q C 0.620 176.570 176.000 -0.083 0.000 0.965 698 Q CA 0.483 56.204 55.803 -0.137 0.000 0.910 698 Q CB -0.112 28.561 28.738 -0.108 0.000 0.980 698 Q HN 0.633 nan 8.270 nan 0.000 0.491 699 A N 0.351 123.136 122.820 -0.059 0.000 2.312 699 A HA 0.175 4.491 4.320 -0.006 0.000 0.328 699 A C 0.338 177.899 177.584 -0.039 0.000 1.158 699 A CA -0.594 51.420 52.037 -0.039 0.000 0.821 699 A CB 0.572 19.559 19.000 -0.022 0.000 1.170 699 A HN 0.234 nan 8.150 nan 0.000 0.490 700 N N 1.329 120.010 118.700 -0.031 0.000 2.513 700 N HA -0.100 4.636 4.740 -0.006 0.000 0.187 700 N C 0.259 175.761 175.510 -0.012 0.000 1.056 700 N CA 0.243 53.279 53.050 -0.025 0.000 0.907 700 N CB 0.004 38.480 38.487 -0.017 0.000 0.954 700 N HN 0.619 nan 8.380 nan 0.000 0.445 701 L N 3.079 124.297 121.223 -0.008 0.000 2.451 701 L HA 0.093 4.429 4.340 -0.006 0.000 0.272 701 L C -1.007 175.869 176.870 0.010 0.000 1.258 701 L CA 0.691 55.532 54.840 0.003 0.000 1.132 701 L CB -0.628 41.434 42.059 0.004 0.000 1.361 701 L HN 0.155 nan 8.230 nan 0.000 0.438 702 L N 3.677 124.908 121.223 0.014 0.000 2.580 702 L HA 0.169 4.505 4.340 -0.006 0.000 0.266 702 L C 1.146 178.035 176.870 0.031 0.000 0.955 702 L CA -0.082 54.776 54.840 0.029 0.000 0.886 702 L CB 2.004 44.082 42.059 0.033 0.000 1.263 702 L HN 0.380 nan 8.230 nan 0.000 0.406 703 T N 2.516 117.092 114.554 0.036 0.000 2.699 703 T HA -0.033 4.313 4.350 -0.006 0.000 0.268 703 T C 0.913 175.638 174.700 0.042 0.000 1.036 703 T CA 1.212 63.333 62.100 0.035 0.000 1.147 703 T CB -0.299 68.590 68.868 0.035 0.000 0.862 703 T HN 1.246 nan 8.240 nan 0.000 0.446 704 A N 1.160 124.009 122.820 0.049 0.000 2.431 704 A HA -0.076 4.240 4.320 -0.006 0.000 0.685 704 A C 0.025 177.644 177.584 0.058 0.000 0.140 704 A CA -0.348 51.721 52.037 0.052 0.000 0.038 704 A CB -0.564 18.463 19.000 0.046 0.000 3.966 704 A HN 0.252 nan 8.150 nan 0.000 0.547 705 K N 1.771 122.203 120.400 0.052 0.000 2.436 705 K HA 0.108 4.424 4.320 -0.006 0.000 0.275 705 K C 0.382 177.030 176.600 0.080 0.000 0.999 705 K CA 0.059 56.382 56.287 0.060 0.000 0.980 705 K CB 0.362 32.882 32.500 0.034 0.000 0.919 705 K HN 0.884 nan 8.250 nan 0.000 0.484 706 H N 0.153 119.228 119.070 0.009 0.000 2.848 706 H HA 0.271 4.823 4.556 -0.006 0.000 0.317 706 H C 0.763 176.097 175.328 0.010 0.000 1.046 706 H CA 1.553 57.605 56.048 0.007 0.000 1.470 706 H CB 0.457 30.220 29.762 0.001 0.000 1.483 706 H HN 0.755 nan 8.280 nan 0.000 0.548 707 G N 3.232 111.717 108.800 -0.525 0.000 2.556 707 G HA2 0.196 4.152 3.960 -0.006 0.000 0.114 707 G HA3 0.196 4.152 3.960 -0.006 0.000 0.114 707 G C -0.745 174.006 174.900 -0.248 0.000 0.956 707 G CA 0.055 44.941 45.100 -0.358 0.000 1.263 707 G HN 0.700 nan 8.290 nan 0.000 0.486 708 M N 0.967 120.495 119.600 -0.121 0.000 2.523 708 M HA 0.074 4.551 4.480 -0.006 0.000 0.134 708 M C -1.349 174.934 176.300 -0.027 0.000 0.592 708 M CA -0.187 55.073 55.300 -0.067 0.000 0.978 708 M CB -0.231 32.328 32.600 -0.069 0.000 1.492 708 M HN 0.637 nan 8.290 nan 0.000 0.633 709 T N 3.836 118.388 114.554 -0.003 0.000 2.928 709 T HA 0.597 4.943 4.350 -0.006 0.000 0.284 709 T C 1.498 176.217 174.700 0.031 0.000 1.008 709 T CA -0.804 61.304 62.100 0.014 0.000 1.057 709 T CB 1.458 70.339 68.868 0.022 0.000 1.018 709 T HN 0.533 nan 8.240 nan 0.000 0.493 710 L N 1.208 122.448 121.223 0.029 0.000 2.017 710 L HA -0.037 4.299 4.340 -0.006 0.000 0.208 710 L C 2.819 179.722 176.870 0.056 0.000 1.073 710 L CA 1.700 56.560 54.840 0.032 0.000 0.745 710 L CB -0.566 41.495 42.059 0.004 0.000 0.894 710 L HN 0.571 nan 8.230 nan 0.000 0.432 711 R N -0.524 120.005 120.500 0.049 0.000 2.090 711 R HA -0.103 4.233 4.340 -0.006 0.000 0.228 711 R C 2.190 178.588 176.300 0.163 0.000 1.110 711 R CA 1.096 57.248 56.100 0.088 0.000 0.973 711 R CB -0.207 30.138 30.300 0.076 0.000 0.869 711 R HN 0.488 nan 8.270 nan 0.000 0.440 712 E N -0.167 120.096 120.200 0.105 0.000 2.107 712 E HA -0.109 4.238 4.350 -0.006 0.000 0.191 712 E C 1.902 178.541 176.600 0.064 0.000 0.982 712 E CA 0.925 57.373 56.400 0.081 0.000 0.809 712 E CB 0.030 29.757 29.700 0.046 0.000 0.756 712 E HN 0.096 nan 8.360 nan 0.000 0.459 713 S N 0.200 115.942 115.700 0.070 0.000 2.387 713 S HA -0.134 4.333 4.470 -0.006 0.000 0.226 713 S C 1.708 176.345 174.600 0.060 0.000 1.026 713 S CA 0.584 58.812 58.200 0.046 0.000 0.972 713 S CB -0.248 62.980 63.200 0.048 0.000 0.814 713 S HN 0.334 nan 8.310 nan 0.000 0.477 714 F N 2.711 122.649 119.950 -0.019 0.000 2.095 714 F HA -0.094 4.429 4.527 -0.006 0.000 0.298 714 F C 2.285 178.079 175.800 -0.009 0.000 1.104 714 F CA 2.036 60.028 58.000 -0.014 0.000 1.232 714 F CB -0.494 38.487 39.000 -0.031 0.000 0.987 714 F HN 0.202 nan 8.300 nan 0.000 0.475 715 E N 0.073 120.213 120.200 -0.100 0.000 2.077 715 E HA -0.261 4.086 4.350 -0.006 0.000 0.193 715 E C 2.046 178.517 176.600 -0.215 0.000 0.989 715 E CA 1.408 57.697 56.400 -0.185 0.000 0.800 715 E CB -0.750 28.962 29.700 0.019 0.000 0.746 715 E HN 0.572 nan 8.360 nan 0.000 0.452 716 D N 0.752 121.062 120.400 -0.149 0.000 2.149 716 D HA -0.147 4.489 4.640 -0.006 0.000 0.198 716 D C 1.542 177.677 176.300 -0.276 0.000 0.990 716 D CA 0.752 54.656 54.000 -0.160 0.000 0.839 716 D CB 0.067 40.805 40.800 -0.103 0.000 0.948 716 D HN 0.166 nan 8.370 nan 0.000 0.460 717 N N 0.027 118.510 118.700 -0.362 0.000 2.109 717 N HA -0.114 4.622 4.740 -0.006 0.000 0.188 717 N C 2.165 177.176 175.510 -0.832 0.000 1.034 717 N CA 0.745 53.396 53.050 -0.665 0.000 0.846 717 N CB -0.038 38.149 38.487 -0.500 0.000 1.010 717 N HN 0.087 nan 8.380 nan 0.000 0.425 718 V N 1.662 121.297 119.914 -0.465 0.000 2.287 718 V HA -0.178 3.939 4.120 -0.006 0.000 0.248 718 V C 2.538 178.533 176.094 -0.165 0.000 1.053 718 V CA 1.293 63.464 62.300 -0.214 0.000 1.027 718 V CB -0.539 31.065 31.823 -0.366 0.000 0.646 718 V HN 0.070 nan 8.190 nan 0.000 0.447 719 V N -0.300 119.495 119.914 -0.199 0.000 2.407 719 V HA -0.239 3.877 4.120 -0.006 0.000 0.248 719 V C 2.520 178.549 176.094 -0.109 0.000 1.055 719 V CA 2.155 64.386 62.300 -0.115 0.000 1.049 719 V CB -0.783 30.981 31.823 -0.098 0.000 0.662 719 V HN 0.445 nan 8.190 nan 0.000 0.455 720 R N -1.191 119.177 120.500 -0.220 0.000 2.235 720 R HA -0.028 4.308 4.340 -0.006 0.000 0.213 720 R C 2.172 178.388 176.300 -0.142 0.000 1.059 720 R CA 1.041 57.014 56.100 -0.211 0.000 0.997 720 R CB -0.121 29.994 30.300 -0.308 0.000 0.884 720 R HN 0.540 nan 8.270 nan 0.000 0.462 721 F N -0.013 119.894 119.950 -0.071 0.000 2.118 721 F HA -0.107 4.417 4.527 -0.006 0.000 0.293 721 F C 2.093 177.852 175.800 -0.068 0.000 1.102 721 F CA 0.480 58.435 58.000 -0.074 0.000 1.247 721 F CB -0.063 38.872 39.000 -0.109 0.000 1.017 721 F HN -0.055 nan 8.300 nan 0.000 0.475 722 L N -0.035 121.249 121.223 0.102 0.000 2.056 722 L HA -0.207 4.129 4.340 -0.006 0.000 0.207 722 L C 1.983 178.942 176.870 0.147 0.000 1.078 722 L CA 0.907 55.766 54.840 0.030 0.000 0.749 722 L CB -0.669 41.340 42.059 -0.082 0.000 0.901 722 L HN 0.128 nan 8.230 nan 0.000 0.433 723 N N -0.155 118.615 118.700 0.117 0.000 2.244 723 N HA -0.203 4.533 4.740 -0.006 0.000 0.183 723 N C 1.740 177.315 175.510 0.108 0.000 1.016 723 N CA 0.997 54.115 53.050 0.113 0.000 0.866 723 N CB -0.096 38.432 38.487 0.068 0.000 0.980 723 N HN 0.404 nan 8.380 nan 0.000 0.430 724 E N 0.435 120.693 120.200 0.098 0.000 2.106 724 E HA -0.041 4.306 4.350 -0.006 0.000 0.192 724 E C 1.594 178.258 176.600 0.108 0.000 0.984 724 E CA 0.877 57.336 56.400 0.098 0.000 0.806 724 E CB 0.061 29.826 29.700 0.109 0.000 0.750 724 E HN 0.326 nan 8.360 nan 0.000 0.458 725 A N 1.170 124.057 122.820 0.112 0.000 1.970 725 A HA -0.077 4.239 4.320 -0.006 0.000 0.216 725 A C 2.125 179.787 177.584 0.129 0.000 1.170 725 A CA 0.877 52.974 52.037 0.100 0.000 0.645 725 A CB -0.317 18.722 19.000 0.065 0.000 0.816 725 A HN 0.142 nan 8.150 nan 0.000 0.447 726 R N -0.086 120.511 120.500 0.162 0.000 2.062 726 R HA -0.138 4.198 4.340 -0.006 0.000 0.229 726 R C 1.091 177.474 176.300 0.137 0.000 1.128 726 R CA 1.814 58.008 56.100 0.156 0.000 0.960 726 R CB -0.297 30.101 30.300 0.164 0.000 0.855 726 R HN 0.370 nan 8.270 nan 0.000 0.432 727 D N 0.724 121.227 120.400 0.171 0.000 2.144 727 D HA -0.165 4.471 4.640 -0.006 0.000 0.200 727 D C 1.738 178.210 176.300 0.287 0.000 0.978 727 D CA 1.553 55.715 54.000 0.270 0.000 0.833 727 D CB -0.039 40.903 40.800 0.237 0.000 0.961 727 D HN 0.484 nan 8.370 nan 0.000 0.470 728 K N 0.463 120.970 120.400 0.178 0.000 2.228 728 K HA 0.171 4.487 4.320 -0.006 0.000 0.202 728 K C 1.960 178.638 176.600 0.131 0.000 1.051 728 K CA 1.000 57.377 56.287 0.149 0.000 0.960 728 K CB 0.027 32.586 32.500 0.098 0.000 0.743 728 K HN 0.003 nan 8.250 nan 0.000 0.458 729 A N 1.724 124.611 122.820 0.111 0.000 1.968 729 A HA 0.059 4.375 4.320 -0.006 0.000 0.217 729 A C 2.424 180.038 177.584 0.050 0.000 1.169 729 A CA 1.315 53.397 52.037 0.075 0.000 0.638 729 A CB -0.999 18.041 19.000 0.067 0.000 0.812 729 A HN 0.517 nan 8.150 nan 0.000 0.446 730 G N -0.695 108.134 108.800 0.049 0.000 2.421 730 G HA2 -0.159 3.797 3.960 -0.006 0.000 0.217 730 G HA3 -0.159 3.797 3.960 -0.006 0.000 0.217 730 G C 1.743 176.663 174.900 0.034 0.000 1.143 730 G CA 0.652 45.691 45.100 -0.103 0.000 0.784 730 G HN 0.516 nan 8.290 nan 0.000 0.541 731 R N -0.428 120.269 120.500 0.330 0.000 2.096 731 R HA 0.114 4.450 4.340 -0.006 0.000 0.235 731 R C 2.492 178.896 176.300 0.174 0.000 1.127 731 R CA 0.685 56.998 56.100 0.354 0.000 0.968 731 R CB -0.370 30.085 30.300 0.259 0.000 0.861 731 R HN 0.321 nan 8.270 nan 0.000 0.440 732 L N -0.203 121.088 121.223 0.113 0.000 2.291 732 L HA -0.085 4.252 4.340 -0.006 0.000 0.214 732 L C 2.369 179.270 176.870 0.051 0.000 1.120 732 L CA 0.799 55.682 54.840 0.072 0.000 0.799 732 L CB -0.191 41.902 42.059 0.056 0.000 0.925 732 L HN 0.229 nan 8.230 nan 0.000 0.446 733 A N -0.948 121.893 122.820 0.035 0.000 1.943 733 A HA -0.124 4.192 4.320 -0.006 0.000 0.213 733 A C 2.242 179.831 177.584 0.009 0.000 1.181 733 A CA 0.790 52.830 52.037 0.005 0.000 0.653 733 A CB -0.186 18.794 19.000 -0.033 0.000 0.833 733 A HN 0.358 nan 8.150 nan 0.000 0.451 734 E N 0.219 120.433 120.200 0.023 0.000 2.016 734 E HA -0.115 4.231 4.350 -0.006 0.000 0.190 734 E C 1.865 178.514 176.600 0.082 0.000 0.985 734 E CA 1.595 58.027 56.400 0.053 0.000 0.802 734 E CB -0.065 29.719 29.700 0.139 0.000 0.762 734 E HN 0.274 nan 8.360 nan 0.000 0.448 735 V N 2.674 122.649 119.914 0.102 0.000 2.490 735 V HA -0.246 3.870 4.120 -0.006 0.000 0.250 735 V C 2.470 178.599 176.094 0.058 0.000 1.061 735 V CA 1.828 64.177 62.300 0.081 0.000 1.064 735 V CB -0.884 30.987 31.823 0.081 0.000 0.670 735 V HN 0.398 nan 8.190 nan 0.000 0.461 736 N N 0.532 119.263 118.700 0.050 0.000 2.120 736 N HA -0.110 4.626 4.740 -0.006 0.000 0.188 736 N C 0.852 176.383 175.510 0.035 0.000 1.024 736 N CA 0.696 53.769 53.050 0.038 0.000 0.852 736 N CB -0.123 38.383 38.487 0.033 0.000 1.003 736 N HN 0.400 nan 8.380 nan 0.000 0.424 737 L N 2.506 123.750 121.223 0.034 0.000 2.499 737 L HA 0.011 4.347 4.340 -0.006 0.000 0.273 737 L C 0.780 177.673 176.870 0.039 0.000 1.195 737 L CA 0.113 54.973 54.840 0.033 0.000 0.882 737 L CB 0.515 42.592 42.059 0.029 0.000 1.133 737 L HN 0.130 nan 8.230 nan 0.000 0.483 738 K N 2.104 122.526 120.400 0.037 0.000 2.187 738 K HA 0.015 4.331 4.320 -0.006 0.000 0.247 738 K C 0.380 177.007 176.600 0.046 0.000 1.019 738 K CA -0.571 55.739 56.287 0.039 0.000 0.893 738 K CB 0.492 33.014 32.500 0.036 0.000 1.025 738 K HN 0.501 nan 8.250 nan 0.000 0.500 739 D N 1.251 121.678 120.400 0.045 0.000 2.352 739 D HA -0.035 4.601 4.640 -0.006 0.000 0.232 739 D C 1.041 177.375 176.300 0.057 0.000 1.055 739 D CA 0.746 54.774 54.000 0.048 0.000 0.891 739 D CB 0.057 40.882 40.800 0.040 0.000 0.897 739 D HN 0.293 nan 8.370 nan 0.000 0.529 740 L N -1.953 119.306 121.223 0.060 0.000 2.693 740 L HA 0.288 4.624 4.340 -0.006 0.000 0.235 740 L C 0.419 177.340 176.870 0.085 0.000 1.127 740 L CA -0.436 54.448 54.840 0.073 0.000 0.914 740 L CB -0.799 41.296 42.059 0.061 0.000 1.193 740 L HN -0.310 nan 8.230 nan 0.000 0.502 741 N N 1.412 120.157 118.700 0.074 0.000 2.452 741 N HA 0.013 4.749 4.740 -0.006 0.000 0.266 741 N C 0.979 176.557 175.510 0.113 0.000 1.209 741 N CA 0.053 53.147 53.050 0.072 0.000 0.929 741 N CB 0.416 38.936 38.487 0.054 0.000 1.063 741 N HN 0.182 nan 8.380 nan 0.000 0.472 742 N N 2.782 121.553 118.700 0.118 0.000 2.166 742 N HA -0.146 4.590 4.740 -0.006 0.000 0.186 742 N C 1.336 176.983 175.510 0.227 0.000 1.019 742 N CA 0.878 54.056 53.050 0.213 0.000 0.856 742 N CB -0.154 38.330 38.487 -0.005 0.000 0.993 742 N HN 0.318 nan 8.380 nan 0.000 0.426 743 V N 1.686 121.669 119.914 0.115 0.000 2.295 743 V HA -0.192 3.925 4.120 -0.006 0.000 0.246 743 V C 2.517 178.671 176.094 0.100 0.000 1.049 743 V CA 1.483 63.841 62.300 0.097 0.000 1.024 743 V CB -0.427 31.425 31.823 0.048 0.000 0.648 743 V HN 0.309 nan 8.190 nan 0.000 0.447 744 K N -0.496 119.956 120.400 0.087 0.000 2.097 744 K HA -0.200 4.116 4.320 -0.006 0.000 0.205 744 K C 2.259 178.907 176.600 0.080 0.000 1.050 744 K CA 1.412 57.745 56.287 0.077 0.000 0.938 744 K CB -0.105 32.435 32.500 0.067 0.000 0.718 744 K HN 0.498 nan 8.250 nan 0.000 0.442 745 Q N -0.178 119.683 119.800 0.102 0.000 2.181 745 Q HA -0.157 4.179 4.340 -0.006 0.000 0.205 745 Q C 2.045 178.060 176.000 0.026 0.000 0.980 745 Q CA 1.642 57.486 55.803 0.069 0.000 0.862 745 Q CB -0.007 28.794 28.738 0.105 0.000 0.905 745 Q HN 0.428 nan 8.270 nan 0.000 0.429 746 M N -0.671 118.977 119.600 0.080 0.000 2.236 746 M HA -0.119 4.357 4.480 -0.006 0.000 0.266 746 M C 2.144 178.472 176.300 0.047 0.000 1.070 746 M CA 0.851 56.185 55.300 0.056 0.000 1.137 746 M CB 0.117 32.796 32.600 0.132 0.000 1.378 746 M HN 0.034 nan 8.290 nan 0.000 0.426 747 V N 0.345 120.295 119.914 0.061 0.000 2.358 747 V HA -0.248 3.868 4.120 -0.006 0.000 0.246 747 V C 2.339 178.462 176.094 0.048 0.000 1.047 747 V CA 1.589 63.925 62.300 0.060 0.000 1.035 747 V CB -0.573 31.294 31.823 0.074 0.000 0.658 747 V HN 0.488 nan 8.190 nan 0.000 0.452 748 M N -0.018 119.607 119.600 0.042 0.000 2.108 748 M HA -0.181 4.295 4.480 -0.006 0.000 0.261 748 M C 2.370 178.676 176.300 0.010 0.000 1.066 748 M CA 2.214 57.531 55.300 0.028 0.000 1.107 748 M CB -0.530 32.085 32.600 0.024 0.000 1.356 748 M HN 0.422 nan 8.290 nan 0.000 0.406 749 A N -0.484 122.334 122.820 -0.003 0.000 1.930 749 A HA 0.104 4.420 4.320 -0.006 0.000 0.217 749 A C 1.833 179.416 177.584 -0.001 0.000 1.175 749 A CA 1.602 53.628 52.037 -0.018 0.000 0.627 749 A CB -0.915 18.058 19.000 -0.045 0.000 0.815 749 A HN 0.688 nan 8.150 nan 0.000 0.443 750 G N -1.302 107.508 108.800 0.015 0.000 2.141 750 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.231 750 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.231 750 G C 1.131 176.049 174.900 0.031 0.000 0.984 750 G CA 1.241 46.357 45.100 0.026 0.000 0.660 750 G HN 1.410 nan 8.290 nan 0.000 0.525 751 S N -1.065 114.652 115.700 0.028 0.000 2.345 751 S HA 0.310 4.776 4.470 -0.006 0.000 0.220 751 S C 1.010 175.641 174.600 0.051 0.000 1.031 751 S CA 1.502 59.725 58.200 0.038 0.000 0.996 751 S CB 0.401 63.619 63.200 0.030 0.000 0.882 751 S HN 0.422 nan 8.310 nan 0.000 0.445 752 K N 0.222 120.655 120.400 0.056 0.000 2.556 752 K HA 0.568 4.884 4.320 -0.006 0.000 0.274 752 K C -0.237 176.398 176.600 0.058 0.000 0.966 752 K CA 0.250 56.572 56.287 0.058 0.000 0.865 752 K CB 1.640 34.179 32.500 0.064 0.000 1.444 752 K HN 0.648 nan 8.250 nan 0.000 0.433 753 G N 0.871 109.702 108.800 0.052 0.000 2.705 753 G HA2 -0.082 3.874 3.960 -0.006 0.000 0.686 753 G HA3 -0.082 3.874 3.960 -0.006 0.000 0.686 753 G C -0.713 174.225 174.900 0.062 0.000 1.285 753 G CA -0.143 44.987 45.100 0.051 0.000 0.800 753 G HN 0.970 nan 8.290 nan 0.000 0.611 754 S N -0.009 115.732 115.700 0.068 0.000 2.671 754 S HA 0.714 5.180 4.470 -0.006 0.000 0.277 754 S C 0.699 175.376 174.600 0.128 0.000 1.165 754 S CA 0.220 58.483 58.200 0.105 0.000 0.822 754 S CB 1.506 64.769 63.200 0.105 0.000 1.150 754 S HN 1.781 nan 8.310 nan 0.000 0.479 755 F N 1.288 121.257 119.950 0.033 0.000 2.147 755 F HA -0.116 4.407 4.527 -0.006 0.000 0.301 755 F C 1.726 177.548 175.800 0.038 0.000 1.084 755 F CA 1.761 59.782 58.000 0.034 0.000 1.268 755 F CB -0.252 38.767 39.000 0.030 0.000 1.009 755 F HN 0.526 nan 8.300 nan 0.000 0.486 756 I N 0.290 120.937 120.570 0.129 0.000 2.286 756 I HA -0.295 3.871 4.170 -0.006 0.000 0.248 756 I C 1.877 177.981 176.117 -0.021 0.000 1.115 756 I CA 1.524 62.855 61.300 0.051 0.000 1.392 756 I CB -1.847 36.216 38.000 0.105 0.000 1.065 756 I HN 0.257 nan 8.210 nan 0.000 0.418 757 N N 1.040 119.737 118.700 -0.005 0.000 2.142 757 N HA -0.130 4.606 4.740 -0.006 0.000 0.186 757 N C 1.889 177.379 175.510 -0.033 0.000 1.023 757 N CA 1.049 54.096 53.050 -0.005 0.000 0.852 757 N CB -0.148 38.342 38.487 0.006 0.000 0.998 757 N HN 0.197 nan 8.380 nan 0.000 0.424 758 I N 1.062 121.578 120.570 -0.090 0.000 2.202 758 I HA -0.190 3.976 4.170 -0.006 0.000 0.242 758 I C 2.344 178.370 176.117 -0.153 0.000 1.091 758 I CA 0.812 62.045 61.300 -0.111 0.000 1.368 758 I CB -0.442 37.478 38.000 -0.134 0.000 1.058 758 I HN 0.118 nan 8.210 nan 0.000 0.410 759 A N -0.224 122.424 122.820 -0.286 0.000 1.908 759 A HA -0.282 4.034 4.320 -0.006 0.000 0.218 759 A C 2.301 179.818 177.584 -0.113 0.000 1.181 759 A CA 1.833 53.711 52.037 -0.265 0.000 0.627 759 A CB -0.653 18.118 19.000 -0.382 0.000 0.818 759 A HN 0.516 nan 8.150 nan 0.000 0.445 760 Q N -1.353 118.422 119.800 -0.041 0.000 2.083 760 Q HA -0.009 4.327 4.340 -0.006 0.000 0.198 760 Q C 2.237 178.333 176.000 0.160 0.000 0.969 760 Q CA 1.399 57.229 55.803 0.044 0.000 0.838 760 Q CB -0.168 28.691 28.738 0.203 0.000 0.900 760 Q HN 0.705 nan 8.270 nan 0.000 0.436 761 M N -0.608 119.107 119.600 0.192 0.000 2.156 761 M HA -0.098 4.378 4.480 -0.006 0.000 0.264 761 M C 1.989 178.342 176.300 0.088 0.000 1.067 761 M CA 1.216 56.641 55.300 0.209 0.000 1.131 761 M CB 0.191 32.847 32.600 0.093 0.000 1.368 761 M HN 0.051 nan 8.290 nan 0.000 0.416 762 S N -0.393 115.318 115.700 0.019 0.000 2.460 762 S HA 0.219 4.685 4.470 -0.006 0.000 0.226 762 S C 1.693 176.281 174.600 -0.020 0.000 1.057 762 S CA 0.663 58.861 58.200 -0.003 0.000 0.948 762 S CB 0.242 63.430 63.200 -0.018 0.000 0.822 762 S HN 0.468 nan 8.310 nan 0.000 0.512 763 A N -0.374 122.421 122.820 -0.042 0.000 2.106 763 A HA 0.547 4.863 4.320 -0.006 0.000 0.218 763 A C 0.718 178.265 177.584 -0.062 0.000 1.718 763 A CA 0.391 52.403 52.037 -0.042 0.000 0.768 763 A CB -0.276 18.698 19.000 -0.043 0.000 1.321 763 A HN 0.521 nan 8.150 nan 0.000 0.567 764 C N -1.323 117.923 119.300 -0.091 0.000 2.891 764 C HA 0.547 5.003 4.460 -0.006 0.000 0.342 764 C C 1.398 176.267 174.990 -0.203 0.000 1.126 764 C CA -0.198 58.733 59.018 -0.145 0.000 1.322 764 C CB 0.854 28.544 27.740 -0.082 0.000 1.763 764 C HN 0.449 nan 8.230 nan 0.000 0.491 765 V N 4.318 124.033 119.914 -0.332 0.000 2.302 765 V HA 0.400 4.517 4.120 -0.006 0.000 0.243 765 V C 1.574 177.486 176.094 -0.304 0.000 1.036 765 V CA 2.093 64.176 62.300 -0.362 0.000 1.020 765 V CB -1.223 30.247 31.823 -0.589 0.000 0.657 765 V HN 1.868 nan 8.190 nan 0.000 0.453 766 G N -0.050 108.467 108.800 -0.471 0.000 2.662 766 G HA2 -0.139 3.817 3.960 -0.006 0.000 0.686 766 G HA3 -0.139 3.817 3.960 -0.006 0.000 0.686 766 G C -0.520 174.164 174.900 -0.361 0.000 1.271 766 G CA -0.180 44.645 45.100 -0.459 0.000 0.816 766 G HN 0.564 nan 8.290 nan 0.000 0.608 767 Q N 0.588 120.321 119.800 -0.112 0.000 2.362 767 Q HA 0.205 4.541 4.340 -0.006 0.000 0.305 767 Q C 0.717 176.699 176.000 -0.029 0.000 1.120 767 Q CA 0.885 56.710 55.803 0.037 0.000 1.011 767 Q CB 0.305 29.176 28.738 0.222 0.000 1.048 767 Q HN 0.493 nan 8.270 nan 0.000 0.386 768 Q N 2.458 122.223 119.800 -0.058 0.000 2.288 768 Q HA 0.335 4.671 4.340 -0.006 0.000 0.254 768 Q C -0.565 175.427 176.000 -0.014 0.000 0.932 768 Q CA -0.046 55.752 55.803 -0.008 0.000 0.902 768 Q CB 1.392 30.162 28.738 0.053 0.000 1.203 768 Q HN 0.794 nan 8.270 nan 0.000 0.415 769 S N -0.096 115.606 115.700 0.003 0.000 2.568 769 S HA 0.711 5.177 4.470 -0.006 0.000 0.293 769 S C -0.515 174.084 174.600 -0.000 0.000 1.089 769 S CA -0.835 57.359 58.200 -0.009 0.000 0.945 769 S CB 1.745 64.940 63.200 -0.008 0.000 1.077 769 S HN 0.255 nan 8.310 nan 0.000 0.485 770 V N 2.187 122.096 119.914 -0.007 0.000 2.407 770 V HA 0.489 4.605 4.120 -0.006 0.000 0.291 770 V C -0.105 175.986 176.094 -0.005 0.000 1.018 770 V CA -0.547 61.752 62.300 -0.003 0.000 0.842 770 V CB 0.304 32.128 31.823 0.002 0.000 0.996 770 V HN 1.146 nan 8.190 nan 0.000 0.426 771 E N 3.608 123.807 120.200 -0.001 0.000 2.513 771 E HA -0.261 4.085 4.350 -0.006 0.000 0.257 771 E C 1.247 177.847 176.600 -0.000 0.000 1.098 771 E CA 0.600 57.001 56.400 0.001 0.000 0.752 771 E CB -1.316 28.386 29.700 0.003 0.000 1.324 771 E HN 1.493 nan 8.360 nan 0.000 0.403 772 G N -0.240 108.558 108.800 -0.002 0.000 2.184 772 G HA2 -0.388 3.569 3.960 -0.006 0.000 0.264 772 G HA3 -0.388 3.569 3.960 -0.006 0.000 0.264 772 G C 0.177 175.070 174.900 -0.012 0.000 0.975 772 G CA 0.955 46.052 45.100 -0.005 0.000 0.642 772 G HN 0.269 nan 8.290 nan 0.000 0.536 773 K N 0.920 121.310 120.400 -0.015 0.000 2.221 773 K HA 0.478 4.794 4.320 -0.006 0.000 0.258 773 K C 0.809 177.382 176.600 -0.045 0.000 0.944 773 K CA -0.967 55.303 56.287 -0.027 0.000 0.823 773 K CB 1.321 33.807 32.500 -0.022 0.000 1.113 773 K HN 0.459 nan 8.250 nan 0.000 0.431 774 R N 2.433 122.893 120.500 -0.066 0.000 2.643 774 R HA 0.132 4.468 4.340 -0.006 0.000 0.270 774 R C 0.127 176.338 176.300 -0.148 0.000 1.061 774 R CA -0.644 55.395 56.100 -0.102 0.000 1.107 774 R CB 0.029 30.262 30.300 -0.111 0.000 0.999 774 R HN 0.428 nan 8.270 nan 0.000 0.460 775 I N 1.823 122.303 120.570 -0.151 0.000 3.298 775 I HA -0.202 3.964 4.170 -0.006 0.000 0.327 775 I C 1.013 177.000 176.117 -0.216 0.000 1.247 775 I CA 0.658 61.895 61.300 -0.105 0.000 1.416 775 I CB -1.633 36.350 38.000 -0.028 0.000 1.360 775 I HN 0.776 nan 8.210 nan 0.000 0.507 776 A N 7.867 130.587 122.820 -0.167 0.000 2.313 776 A HA 0.489 4.805 4.320 -0.006 0.000 0.261 776 A C -0.118 177.338 177.584 -0.213 0.000 1.090 776 A CA -0.462 51.403 52.037 -0.288 0.000 0.807 776 A CB 0.123 19.059 19.000 -0.106 0.000 1.055 776 A HN 0.477 nan 8.150 nan 0.000 0.492 777 F N 1.057 121.039 119.950 0.054 0.000 2.494 777 F HA 0.354 4.877 4.527 -0.006 0.000 0.369 777 F C 1.547 177.409 175.800 0.102 0.000 1.098 777 F CA 0.611 58.662 58.000 0.086 0.000 1.154 777 F CB 0.591 39.613 39.000 0.036 0.000 1.103 777 F HN 0.647 nan 8.300 nan 0.000 0.549 778 G N 2.241 111.221 108.800 0.299 0.000 2.656 778 G HA2 -0.069 3.887 3.960 -0.006 0.000 0.211 778 G HA3 -0.069 3.887 3.960 -0.006 0.000 0.211 778 G C 0.735 175.663 174.900 0.047 0.000 1.137 778 G CA 0.007 45.195 45.100 0.147 0.000 0.802 778 G HN 0.524 nan 8.290 nan 0.000 0.527 779 F N 1.394 121.446 119.950 0.170 0.000 2.701 779 F HA 0.389 4.913 4.527 -0.006 0.000 0.295 779 F C 0.431 176.284 175.800 0.089 0.000 1.165 779 F CA -0.392 57.678 58.000 0.116 0.000 1.399 779 F CB 0.304 39.372 39.000 0.114 0.000 0.996 779 F HN -0.205 nan 8.300 nan 0.000 0.513 780 V N 1.427 121.458 119.914 0.195 0.000 3.585 780 V HA -0.310 3.806 4.120 -0.006 0.000 0.489 780 V C 0.362 176.466 176.094 0.016 0.000 0.682 780 V CA 0.458 62.818 62.300 0.101 0.000 2.013 780 V CB -1.050 30.812 31.823 0.065 0.000 2.442 780 V HN 0.702 nan 8.190 nan 0.000 0.504 781 D N 0.260 120.566 120.400 -0.156 0.000 2.808 781 D HA -0.239 4.397 4.640 -0.006 0.000 0.195 781 D C 0.613 176.483 176.300 -0.717 0.000 1.057 781 D CA 2.323 55.993 54.000 -0.550 0.000 1.026 781 D CB -0.275 40.360 40.800 -0.276 0.000 1.115 781 D HN 1.111 nan 8.370 nan 0.000 0.421 782 R N -1.368 119.055 120.500 -0.128 0.000 2.795 782 R HA 0.697 5.033 4.340 -0.006 0.000 0.275 782 R C 0.659 177.281 176.300 0.536 0.000 0.981 782 R CA -0.675 55.542 56.100 0.195 0.000 0.917 782 R CB 0.990 31.395 30.300 0.175 0.000 1.202 782 R HN -0.262 nan 8.270 nan 0.000 0.469 783 T N 0.782 115.674 114.554 0.565 0.000 2.770 783 T HA 0.149 4.495 4.350 -0.006 0.000 0.258 783 T C 0.638 175.668 174.700 0.550 0.000 1.039 783 T CA 0.666 63.091 62.100 0.542 0.000 1.143 783 T CB -0.085 69.061 68.868 0.464 0.000 0.866 783 T HN 0.317 nan 8.240 nan 0.000 0.428 784 L N 0.952 122.477 121.223 0.503 0.000 2.371 784 L HA 0.362 4.698 4.340 -0.006 0.000 0.262 784 L C -1.838 174.890 176.870 -0.236 0.000 1.006 784 L CA -2.463 52.413 54.840 0.060 0.000 0.818 784 L CB 2.554 44.740 42.059 0.212 0.000 1.354 784 L HN -0.159 nan 8.230 nan 0.000 0.415 785 P HA -0.144 nan 4.420 nan 0.000 0.231 785 P C 0.725 177.683 177.300 -0.571 0.000 1.158 785 P CA 1.218 63.896 63.100 -0.702 0.000 0.763 785 P CB -0.014 31.159 31.700 -0.878 0.000 0.805 786 H N -1.816 116.998 119.070 -0.426 0.000 2.551 786 H HA 0.172 4.724 4.556 -0.006 0.000 0.266 786 H C 0.700 175.712 175.328 -0.527 0.000 0.964 786 H CA 0.265 56.009 56.048 -0.507 0.000 1.180 786 H CB -0.148 29.208 29.762 -0.677 0.000 1.408 786 H HN 0.216 nan 8.280 nan 0.000 0.563 787 F N 0.526 120.508 119.950 0.052 0.000 2.509 787 F HA 0.311 4.835 4.527 -0.006 0.000 0.334 787 F C 0.868 176.683 175.800 0.025 0.000 1.060 787 F CA -1.096 56.943 58.000 0.066 0.000 0.997 787 F CB 1.216 40.286 39.000 0.116 0.000 1.271 787 F HN -0.240 nan 8.300 nan 0.000 0.488 788 S N 0.252 116.106 115.700 0.258 0.000 2.617 788 S HA 0.266 4.732 4.470 -0.006 0.000 0.269 788 S C -0.294 174.370 174.600 0.106 0.000 1.292 788 S CA -0.950 57.330 58.200 0.133 0.000 1.010 788 S CB 0.782 64.045 63.200 0.105 0.000 0.944 788 S HN 0.373 nan 8.310 nan 0.000 0.536 789 K N 1.415 121.843 120.400 0.046 0.000 2.319 789 K HA 0.062 4.378 4.320 -0.006 0.000 0.265 789 K C -0.365 176.209 176.600 -0.043 0.000 1.000 789 K CA -0.047 56.231 56.287 -0.016 0.000 0.943 789 K CB 0.143 32.630 32.500 -0.023 0.000 0.950 789 K HN 0.542 nan 8.250 nan 0.000 0.485 790 D N 1.990 122.297 120.400 -0.156 0.000 2.697 790 D HA -0.177 4.459 4.640 -0.006 0.000 0.238 790 D C -1.068 175.257 176.300 0.041 0.000 1.152 790 D CA 1.077 55.018 54.000 -0.099 0.000 0.666 790 D CB -0.696 40.103 40.800 -0.001 0.000 1.037 790 D HN 0.519 nan 8.370 nan 0.000 0.423 791 D N -0.256 120.138 120.400 -0.009 0.000 2.464 791 D HA 0.195 4.832 4.640 -0.006 0.000 0.243 791 D C 0.303 176.669 176.300 0.111 0.000 1.104 791 D CA -0.489 53.564 54.000 0.088 0.000 0.883 791 D CB 0.179 41.015 40.800 0.060 0.000 1.050 791 D HN 0.081 nan 8.370 nan 0.000 0.524 792 Y N 1.112 121.505 120.300 0.155 0.000 2.462 792 Y HA 0.077 4.623 4.550 -0.006 0.000 0.293 792 Y C 1.159 177.147 175.900 0.147 0.000 1.195 792 Y CA -0.282 57.954 58.100 0.226 0.000 1.276 792 Y CB -0.237 38.388 38.460 0.274 0.000 1.082 792 Y HN 0.238 nan 8.280 nan 0.000 0.514 793 S N 0.968 116.770 115.700 0.170 0.000 2.549 793 S HA 0.013 4.479 4.470 -0.006 0.000 0.286 793 S C -1.458 173.145 174.600 0.005 0.000 1.314 793 S CA -1.150 57.100 58.200 0.083 0.000 1.062 793 S CB 1.136 64.365 63.200 0.050 0.000 0.865 793 S HN 0.116 nan 8.310 nan 0.000 0.498 794 P HA -0.156 nan 4.420 nan 0.000 0.216 794 P C 0.866 178.161 177.300 -0.009 0.000 1.150 794 P CA 1.425 64.494 63.100 -0.052 0.000 0.843 794 P CB -0.008 31.585 31.700 -0.178 0.000 0.787 795 E N -0.259 119.956 120.200 0.025 0.000 2.204 795 E HA -0.103 4.244 4.350 -0.006 0.000 0.195 795 E C 2.273 178.837 176.600 -0.061 0.000 0.990 795 E CA 1.282 57.732 56.400 0.084 0.000 0.821 795 E CB -0.849 28.942 29.700 0.153 0.000 0.750 795 E HN 0.211 nan 8.360 nan 0.000 0.477 796 S N -0.505 115.005 115.700 -0.316 0.000 2.439 796 S HA 0.002 4.468 4.470 -0.006 0.000 0.224 796 S C 1.602 175.906 174.600 -0.492 0.000 1.029 796 S CA 0.377 58.110 58.200 -0.779 0.000 0.946 796 S CB 0.117 62.735 63.200 -0.970 0.000 0.797 796 S HN -0.042 nan 8.310 nan 0.000 0.504 797 K N 0.579 120.752 120.400 -0.378 0.000 2.486 797 K HA 0.150 4.466 4.320 -0.006 0.000 0.194 797 K C 1.064 177.300 176.600 -0.606 0.000 1.033 797 K CA 0.768 56.818 56.287 -0.395 0.000 1.004 797 K CB 0.154 32.517 32.500 -0.227 0.000 0.798 797 K HN 0.522 nan 8.250 nan 0.000 0.495 798 G N 1.402 109.689 108.800 -0.854 0.000 2.155 798 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.135 798 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.135 798 G C -0.500 174.183 174.900 -0.361 0.000 1.023 798 G CA -0.594 43.817 45.100 -1.149 0.000 0.688 798 G HN 0.219 nan 8.290 nan 0.000 0.499 799 F N 1.873 121.650 119.950 -0.289 0.000 2.421 799 F HA 0.601 5.125 4.527 -0.006 0.000 0.358 799 F C 0.593 176.361 175.800 -0.054 0.000 1.115 799 F CA -0.809 57.111 58.000 -0.132 0.000 1.160 799 F CB 1.433 40.377 39.000 -0.093 0.000 1.123 799 F HN 0.201 nan 8.300 nan 0.000 0.508 800 V N 7.692 127.268 119.914 -0.565 0.000 2.406 800 V HA 0.195 4.312 4.120 -0.006 0.000 0.272 800 V C 0.773 176.463 176.094 -0.673 0.000 1.043 800 V CA 0.102 62.147 62.300 -0.425 0.000 0.915 800 V CB 1.210 32.847 31.823 -0.309 0.000 0.988 800 V HN 1.030 nan 8.190 nan 0.000 0.466 801 E N 4.618 124.644 120.200 -0.290 0.000 2.140 801 E HA 0.049 4.395 4.350 -0.006 0.000 0.191 801 E C 0.549 177.074 176.600 -0.125 0.000 0.973 801 E CA 0.067 56.391 56.400 -0.125 0.000 0.829 801 E CB 0.265 30.030 29.700 0.109 0.000 0.781 801 E HN 0.819 nan 8.360 nan 0.000 0.466 802 N N 1.189 119.813 118.700 -0.126 0.000 2.467 802 N HA 0.018 4.754 4.740 -0.006 0.000 0.262 802 N C -0.185 175.207 175.510 -0.197 0.000 1.234 802 N CA 0.187 53.169 53.050 -0.114 0.000 0.952 802 N CB 1.408 39.851 38.487 -0.074 0.000 1.158 802 N HN 0.082 nan 8.380 nan 0.000 0.463 803 S N 0.035 115.647 115.700 -0.146 0.000 2.681 803 S HA 0.240 4.707 4.470 -0.006 0.000 0.270 803 S C 0.856 175.356 174.600 -0.166 0.000 1.209 803 S CA -0.435 57.663 58.200 -0.170 0.000 0.988 803 S CB 0.278 63.441 63.200 -0.063 0.000 1.006 803 S HN 0.479 nan 8.310 nan 0.000 0.558 804 Y N -0.174 120.104 120.300 -0.036 0.000 2.421 804 Y HA 0.025 4.571 4.550 -0.006 0.000 0.292 804 Y C 2.032 177.932 175.900 -0.001 0.000 1.136 804 Y CA 0.653 58.747 58.100 -0.010 0.000 1.255 804 Y CB -0.482 37.975 38.460 -0.006 0.000 0.991 804 Y HN 0.607 nan 8.280 nan 0.000 0.552 805 L N 0.067 121.362 121.223 0.120 0.000 2.072 805 L HA -0.129 4.208 4.340 -0.006 0.000 0.205 805 L C 2.262 179.157 176.870 0.042 0.000 1.079 805 L CA 1.634 56.515 54.840 0.068 0.000 0.752 805 L CB -0.316 41.767 42.059 0.041 0.000 0.906 805 L HN -0.026 nan 8.230 nan 0.000 0.436 806 R N -0.130 120.382 120.500 0.020 0.000 2.055 806 R HA 0.289 4.625 4.340 -0.006 0.000 0.228 806 R C 0.356 176.663 176.300 0.012 0.000 1.143 806 R CA 0.767 56.871 56.100 0.007 0.000 0.945 806 R CB -0.449 29.845 30.300 -0.010 0.000 0.841 806 R HN 0.498 nan 8.270 nan 0.000 0.429 807 G N 0.099 108.905 108.800 0.010 0.000 2.931 807 G HA2 -0.026 3.930 3.960 -0.006 0.000 0.675 807 G HA3 -0.026 3.930 3.960 -0.006 0.000 0.675 807 G C -1.331 173.574 174.900 0.009 0.000 1.339 807 G CA -1.144 43.970 45.100 0.024 0.000 0.866 807 G HN -0.008 nan 8.290 nan 0.000 0.616 808 L N 2.077 123.324 121.223 0.040 0.000 2.397 808 L HA 0.587 4.923 4.340 -0.006 0.000 0.271 808 L C 1.769 178.680 176.870 0.068 0.000 1.148 808 L CA 0.353 55.226 54.840 0.055 0.000 0.825 808 L CB 1.111 43.254 42.059 0.141 0.000 1.117 808 L HN 0.907 nan 8.230 nan 0.000 0.456 809 T N -0.011 114.584 114.554 0.068 0.000 2.918 809 T HA 0.207 4.553 4.350 -0.006 0.000 0.302 809 T C -1.803 172.945 174.700 0.080 0.000 1.045 809 T CA -1.465 60.668 62.100 0.055 0.000 1.114 809 T CB 0.818 69.725 68.868 0.065 0.000 0.965 809 T HN 0.427 nan 8.240 nan 0.000 0.540 810 P HA -0.185 nan 4.420 nan 0.000 0.218 810 P C 1.478 178.791 177.300 0.020 0.000 1.152 810 P CA 1.321 64.415 63.100 -0.009 0.000 0.857 810 P CB 0.028 31.651 31.700 -0.128 0.000 0.787 811 Q N -0.304 119.477 119.800 -0.032 0.000 2.016 811 Q HA -0.158 4.179 4.340 -0.006 0.000 0.200 811 Q C 2.151 178.153 176.000 0.003 0.000 0.978 811 Q CA 1.497 57.241 55.803 -0.097 0.000 0.833 811 Q CB -0.892 27.945 28.738 0.165 0.000 0.895 811 Q HN 0.381 nan 8.270 nan 0.000 0.427 812 E N -0.067 120.312 120.200 0.299 0.000 2.118 812 E HA -0.207 4.139 4.350 -0.006 0.000 0.195 812 E C 1.650 178.440 176.600 0.316 0.000 0.992 812 E CA 0.982 57.617 56.400 0.391 0.000 0.804 812 E CB -0.242 29.587 29.700 0.216 0.000 0.741 812 E HN 0.266 nan 8.360 nan 0.000 0.458 813 F N 0.331 120.362 119.950 0.135 0.000 2.134 813 F HA -0.187 4.336 4.527 -0.006 0.000 0.299 813 F C 1.951 177.842 175.800 0.152 0.000 1.097 813 F CA 1.234 59.324 58.000 0.150 0.000 1.264 813 F CB -0.157 38.904 39.000 0.101 0.000 1.001 813 F HN -0.046 nan 8.300 nan 0.000 0.479 814 F N -0.525 119.435 119.950 0.017 0.000 2.206 814 F HA -0.124 4.399 4.527 -0.006 0.000 0.298 814 F C 1.854 177.591 175.800 -0.105 0.000 1.090 814 F CA 1.277 59.206 58.000 -0.119 0.000 1.323 814 F CB -0.597 38.299 39.000 -0.174 0.000 1.028 814 F HN -0.080 nan 8.300 nan 0.000 0.492 815 F N -0.498 119.573 119.950 0.201 0.000 2.134 815 F HA -0.179 4.344 4.527 -0.006 0.000 0.299 815 F C 2.612 178.421 175.800 0.015 0.000 1.097 815 F CA 1.797 59.857 58.000 0.100 0.000 1.264 815 F CB -1.442 37.635 39.000 0.130 0.000 1.001 815 F HN 0.085 nan 8.300 nan 0.000 0.479 816 H N -0.020 119.083 119.070 0.055 0.000 2.423 816 H HA 0.079 4.631 4.556 -0.006 0.000 0.297 816 H C 2.019 177.233 175.328 -0.190 0.000 1.075 816 H CA 1.134 57.141 56.048 -0.068 0.000 1.342 816 H CB -0.259 29.452 29.762 -0.085 0.000 1.395 816 H HN 0.113 nan 8.280 nan 0.000 0.530 817 A N -0.317 122.281 122.820 -0.369 0.000 2.119 817 A HA 0.010 4.326 4.320 -0.006 0.000 0.216 817 A C 2.365 179.717 177.584 -0.386 0.000 1.152 817 A CA 0.868 52.609 52.037 -0.493 0.000 0.708 817 A CB -0.421 18.217 19.000 -0.603 0.000 0.805 817 A HN 0.429 nan 8.150 nan 0.000 0.460 818 M N -1.105 118.310 119.600 -0.309 0.000 2.171 818 M HA 0.014 4.490 4.480 -0.006 0.000 0.260 818 M C 2.372 178.612 176.300 -0.100 0.000 1.087 818 M CA 1.459 56.636 55.300 -0.205 0.000 1.154 818 M CB -0.486 32.054 32.600 -0.100 0.000 1.331 818 M HN 0.464 nan 8.290 nan 0.000 0.431 819 G N -0.439 108.340 108.800 -0.034 0.000 2.422 819 G HA2 -0.111 3.845 3.960 -0.006 0.000 0.218 819 G HA3 -0.111 3.845 3.960 -0.006 0.000 0.218 819 G C 1.459 176.341 174.900 -0.031 0.000 1.140 819 G CA 0.900 45.998 45.100 -0.004 0.000 0.775 819 G HN 0.578 nan 8.290 nan 0.000 0.545 820 G N -0.115 108.632 108.800 -0.089 0.000 2.484 820 G HA2 -0.089 3.867 3.960 -0.006 0.000 0.218 820 G HA3 -0.089 3.867 3.960 -0.006 0.000 0.218 820 G C 1.733 176.556 174.900 -0.129 0.000 1.130 820 G CA 0.670 45.687 45.100 -0.138 0.000 0.784 820 G HN 0.434 nan 8.290 nan 0.000 0.543 821 R N 0.227 120.644 120.500 -0.138 0.000 2.075 821 R HA 0.033 4.369 4.340 -0.006 0.000 0.226 821 R C 2.324 178.581 176.300 -0.072 0.000 1.114 821 R CA 1.104 57.135 56.100 -0.114 0.000 0.972 821 R CB -0.269 29.951 30.300 -0.133 0.000 0.869 821 R HN 0.426 nan 8.270 nan 0.000 0.437 822 E N -0.594 119.571 120.200 -0.058 0.000 2.171 822 E HA -0.184 4.162 4.350 -0.006 0.000 0.197 822 E C 1.623 178.206 176.600 -0.028 0.000 0.997 822 E CA 1.361 57.741 56.400 -0.034 0.000 0.810 822 E CB -0.147 29.540 29.700 -0.023 0.000 0.738 822 E HN 0.526 nan 8.360 nan 0.000 0.467 823 G N 1.170 109.952 108.800 -0.031 0.000 2.484 823 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.215 823 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.215 823 G C 1.543 176.427 174.900 -0.028 0.000 1.219 823 G CA 0.726 45.812 45.100 -0.024 0.000 0.791 823 G HN 0.219 nan 8.290 nan 0.000 0.550 824 L N 0.148 121.347 121.223 -0.040 0.000 2.187 824 L HA -0.037 4.299 4.340 -0.006 0.000 0.213 824 L C 2.741 179.593 176.870 -0.031 0.000 1.100 824 L CA 0.514 55.331 54.840 -0.038 0.000 0.765 824 L CB -0.252 41.777 42.059 -0.050 0.000 0.904 824 L HN 0.245 nan 8.230 nan 0.000 0.437 825 I N -0.182 120.370 120.570 -0.031 0.000 2.235 825 I HA -0.222 3.945 4.170 -0.006 0.000 0.241 825 I C 2.341 178.448 176.117 -0.016 0.000 1.085 825 I CA 1.341 62.627 61.300 -0.024 0.000 1.378 825 I CB -0.419 37.566 38.000 -0.024 0.000 1.076 825 I HN 0.362 nan 8.210 nan 0.000 0.415 826 D N 0.151 120.542 120.400 -0.014 0.000 2.269 826 D HA -0.135 4.501 4.640 -0.006 0.000 0.208 826 D C 1.790 178.086 176.300 -0.007 0.000 0.963 826 D CA 1.330 55.326 54.000 -0.008 0.000 0.864 826 D CB -0.455 40.343 40.800 -0.005 0.000 0.936 826 D HN 0.209 nan 8.370 nan 0.000 0.505 827 T N 0.494 115.042 114.554 -0.010 0.000 2.833 827 T HA 0.007 4.353 4.350 -0.006 0.000 0.269 827 T C 2.077 176.772 174.700 -0.009 0.000 1.054 827 T CA 1.496 63.590 62.100 -0.010 0.000 1.135 827 T CB -0.244 68.616 68.868 -0.013 0.000 0.869 827 T HN 0.383 nan 8.240 nan 0.000 0.466 828 A N 0.884 123.697 122.820 -0.011 0.000 1.929 828 A HA 0.031 4.347 4.320 -0.006 0.000 0.216 828 A C 2.524 180.104 177.584 -0.007 0.000 1.176 828 A CA 1.024 53.055 52.037 -0.011 0.000 0.628 828 A CB -0.684 18.308 19.000 -0.014 0.000 0.816 828 A HN 0.376 nan 8.150 nan 0.000 0.444 829 V N -0.290 119.621 119.914 -0.005 0.000 2.346 829 V HA -0.158 3.958 4.120 -0.006 0.000 0.244 829 V C 2.436 178.535 176.094 0.007 0.000 1.037 829 V CA 2.163 64.464 62.300 0.001 0.000 1.029 829 V CB -0.626 31.198 31.823 0.002 0.000 0.663 829 V HN 0.389 nan 8.190 nan 0.000 0.454 830 K N 0.149 120.552 120.400 0.005 0.000 2.063 830 K HA -0.156 4.160 4.320 -0.006 0.000 0.208 830 K C 2.374 178.978 176.600 0.007 0.000 1.048 830 K CA 1.938 58.230 56.287 0.008 0.000 0.928 830 K CB -0.845 31.656 32.500 0.003 0.000 0.713 830 K HN 0.407 nan 8.250 nan 0.000 0.442 831 T N -0.727 113.828 114.554 0.001 0.000 2.995 831 T HA 0.032 4.379 4.350 -0.006 0.000 0.269 831 T C 1.583 176.286 174.700 0.005 0.000 1.091 831 T CA 1.091 63.190 62.100 -0.001 0.000 1.128 831 T CB -0.119 68.745 68.868 -0.007 0.000 0.891 831 T HN 0.274 nan 8.240 nan 0.000 0.492 832 A N 0.482 123.307 122.820 0.008 0.000 1.903 832 A HA 0.125 4.441 4.320 -0.006 0.000 0.213 832 A C 2.124 179.731 177.584 0.039 0.000 1.185 832 A CA 1.428 53.472 52.037 0.012 0.000 0.628 832 A CB -0.490 18.509 19.000 -0.001 0.000 0.830 832 A HN 0.607 nan 8.150 nan 0.000 0.446 833 E N -0.605 119.624 120.200 0.048 0.000 2.107 833 E HA -0.107 4.239 4.350 -0.006 0.000 0.191 833 E C 1.852 178.514 176.600 0.104 0.000 0.982 833 E CA 1.383 57.839 56.400 0.093 0.000 0.809 833 E CB -0.033 29.713 29.700 0.076 0.000 0.756 833 E HN 0.553 nan 8.360 nan 0.000 0.459 834 T N -0.282 114.304 114.554 0.053 0.000 2.746 834 T HA -0.134 4.212 4.350 -0.006 0.000 0.267 834 T C 1.758 176.477 174.700 0.031 0.000 1.039 834 T CA 1.100 63.217 62.100 0.028 0.000 1.142 834 T CB -0.610 68.258 68.868 0.001 0.000 0.866 834 T HN 0.384 nan 8.240 nan 0.000 0.444 835 G N 0.022 108.848 108.800 0.043 0.000 2.469 835 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.220 835 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.220 835 G C 1.387 176.346 174.900 0.100 0.000 1.136 835 G CA 0.816 45.944 45.100 0.046 0.000 0.759 835 G HN 0.514 nan 8.290 nan 0.000 0.562 836 Y N 1.056 121.347 120.300 -0.015 0.000 2.206 836 Y HA 0.121 4.667 4.550 -0.006 0.000 0.292 836 Y C 2.591 178.506 175.900 0.025 0.000 1.123 836 Y CA 0.612 58.709 58.100 -0.005 0.000 1.142 836 Y CB -0.290 38.171 38.460 0.002 0.000 1.006 836 Y HN 0.174 nan 8.280 nan 0.000 0.518 837 I N 0.067 120.618 120.570 -0.031 0.000 2.179 837 I HA -0.330 3.836 4.170 -0.006 0.000 0.242 837 I C 2.627 178.689 176.117 -0.091 0.000 1.088 837 I CA 1.663 62.900 61.300 -0.105 0.000 1.357 837 I CB -0.495 37.489 38.000 -0.027 0.000 1.051 837 I HN 0.261 nan 8.210 nan 0.000 0.409 838 Q N 0.921 120.689 119.800 -0.054 0.000 2.124 838 Q HA -0.227 4.109 4.340 -0.006 0.000 0.202 838 Q C 2.346 178.313 176.000 -0.054 0.000 0.977 838 Q CA 1.499 57.267 55.803 -0.059 0.000 0.850 838 Q CB -0.119 28.586 28.738 -0.056 0.000 0.901 838 Q HN 0.426 nan 8.270 nan 0.000 0.429 839 R N 0.120 120.596 120.500 -0.040 0.000 2.073 839 R HA -0.067 4.269 4.340 -0.006 0.000 0.229 839 R C 2.265 178.580 176.300 0.025 0.000 1.120 839 R CA 0.965 57.056 56.100 -0.014 0.000 0.967 839 R CB 0.011 30.309 30.300 -0.004 0.000 0.862 839 R HN 0.153 nan 8.270 nan 0.000 0.436 840 R N 0.326 120.821 120.500 -0.009 0.000 2.096 840 R HA -0.137 4.199 4.340 -0.006 0.000 0.240 840 R C 2.436 178.725 176.300 -0.019 0.000 1.139 840 R CA 1.761 57.927 56.100 0.111 0.000 0.952 840 R CB -0.477 29.787 30.300 -0.059 0.000 0.854 840 R HN 0.219 nan 8.270 nan 0.000 0.436 841 L N -0.096 121.075 121.223 -0.088 0.000 2.012 841 L HA -0.214 4.122 4.340 -0.006 0.000 0.210 841 L C 2.378 179.164 176.870 -0.139 0.000 1.073 841 L CA 1.156 55.914 54.840 -0.137 0.000 0.748 841 L CB -0.546 41.450 42.059 -0.105 0.000 0.891 841 L HN 0.058 nan 8.230 nan 0.000 0.431 842 V N -0.502 119.364 119.914 -0.080 0.000 2.295 842 V HA -0.255 3.862 4.120 -0.006 0.000 0.246 842 V C 2.520 178.583 176.094 -0.052 0.000 1.049 842 V CA 1.568 63.831 62.300 -0.062 0.000 1.024 842 V CB -0.532 31.270 31.823 -0.035 0.000 0.648 842 V HN 0.364 nan 8.190 nan 0.000 0.447 843 K N 0.150 120.560 120.400 0.017 0.000 2.362 843 K HA 0.032 4.348 4.320 -0.006 0.000 0.200 843 K C 1.982 178.524 176.600 -0.096 0.000 1.046 843 K CA 1.271 57.621 56.287 0.105 0.000 0.952 843 K CB -0.407 32.357 32.500 0.439 0.000 0.753 843 K HN 0.507 nan 8.250 nan 0.000 0.466 844 A N 0.052 122.596 122.820 -0.460 0.000 2.178 844 A HA 0.108 4.424 4.320 -0.006 0.000 0.211 844 A C 1.628 178.918 177.584 -0.490 0.000 1.157 844 A CA 0.408 51.823 52.037 -1.038 0.000 0.780 844 A CB 0.089 18.221 19.000 -1.446 0.000 0.828 844 A HN 0.185 nan 8.150 nan 0.000 0.476 845 L N -1.409 119.652 121.223 -0.270 0.000 2.966 845 L HA 0.164 4.500 4.340 -0.006 0.000 0.262 845 L C 1.422 178.231 176.870 -0.102 0.000 1.165 845 L CA -0.014 54.725 54.840 -0.169 0.000 0.978 845 L CB -0.112 41.861 42.059 -0.144 0.000 1.337 845 L HN 0.301 nan 8.230 nan 0.000 0.563 846 E N 1.777 121.930 120.200 -0.078 0.000 2.082 846 E HA -0.310 4.036 4.350 -0.006 0.000 0.215 846 E C 1.288 177.865 176.600 -0.038 0.000 1.048 846 E CA 2.261 58.636 56.400 -0.042 0.000 0.869 846 E CB -0.216 29.478 29.700 -0.010 0.000 0.773 846 E HN 0.605 nan 8.360 nan 0.000 0.466 847 D N 0.818 121.200 120.400 -0.029 0.000 2.310 847 D HA -0.104 4.532 4.640 -0.006 0.000 0.212 847 D C 0.709 176.999 176.300 -0.017 0.000 0.965 847 D CA 0.499 54.490 54.000 -0.014 0.000 0.879 847 D CB -0.502 40.295 40.800 -0.004 0.000 0.921 847 D HN 0.200 nan 8.370 nan 0.000 0.510 848 I N 1.269 121.813 120.570 -0.043 0.000 2.581 848 I HA 0.106 4.273 4.170 -0.006 0.000 0.285 848 I C 0.426 176.505 176.117 -0.064 0.000 1.129 848 I CA 0.036 61.305 61.300 -0.052 0.000 1.397 848 I CB -0.113 37.843 38.000 -0.074 0.000 1.399 848 I HN 0.051 nan 8.210 nan 0.000 0.537 849 M N 4.835 124.416 119.600 -0.031 0.000 2.569 849 M HA 0.552 5.028 4.480 -0.006 0.000 0.279 849 M C -1.382 174.908 176.300 -0.017 0.000 1.253 849 M CA -0.999 54.258 55.300 -0.070 0.000 0.867 849 M CB 2.033 34.586 32.600 -0.078 0.000 1.727 849 M HN -0.009 nan 8.290 nan 0.000 0.467 850 V N 2.547 122.388 119.914 -0.122 0.000 2.415 850 V HA 0.198 4.314 4.120 -0.006 0.000 0.267 850 V C -0.021 176.030 176.094 -0.071 0.000 1.042 850 V CA -0.005 62.253 62.300 -0.071 0.000 1.000 850 V CB -0.762 30.989 31.823 -0.120 0.000 1.015 850 V HN 0.755 nan 8.190 nan 0.000 0.478 851 H N 2.878 121.884 119.070 -0.107 0.000 2.509 851 H HA 0.273 4.826 4.556 -0.006 0.000 0.360 851 H C 0.524 175.793 175.328 -0.098 0.000 1.398 851 H CA -0.052 55.938 56.048 -0.097 0.000 1.429 851 H CB 0.369 30.130 29.762 -0.001 0.000 1.611 851 H HN 0.563 nan 8.280 nan 0.000 0.606 852 Y N -0.020 120.351 120.300 0.119 0.000 2.352 852 Y HA -0.161 4.385 4.550 -0.006 0.000 0.292 852 Y C 1.767 177.704 175.900 0.062 0.000 1.136 852 Y CA 1.189 59.326 58.100 0.062 0.000 1.227 852 Y CB 0.157 38.645 38.460 0.046 0.000 0.991 852 Y HN 0.661 nan 8.280 nan 0.000 0.545 853 D N -1.313 119.217 120.400 0.217 0.000 2.324 853 D HA -0.108 4.528 4.640 -0.006 0.000 0.235 853 D C 0.064 176.431 176.300 0.110 0.000 1.095 853 D CA 0.381 54.467 54.000 0.143 0.000 0.871 853 D CB -0.719 40.156 40.800 0.125 0.000 0.906 853 D HN 0.393 nan 8.370 nan 0.000 0.522 854 N N -0.869 117.889 118.700 0.096 0.000 2.878 854 N HA -0.170 4.566 4.740 -0.006 0.000 0.247 854 N C -0.222 175.341 175.510 0.088 0.000 1.021 854 N CA 1.086 54.179 53.050 0.072 0.000 0.873 854 N CB -1.590 36.933 38.487 0.060 0.000 1.128 854 N HN 0.325 nan 8.380 nan 0.000 0.571 855 T N 0.410 115.017 114.554 0.088 0.000 2.874 855 T HA 0.346 4.692 4.350 -0.006 0.000 0.281 855 T C 0.178 174.892 174.700 0.022 0.000 0.994 855 T CA 0.326 62.457 62.100 0.052 0.000 1.015 855 T CB 0.957 69.840 68.868 0.026 0.000 1.028 855 T HN 0.087 nan 8.240 nan 0.000 0.523 856 T N 4.186 118.717 114.554 -0.037 0.000 3.053 856 T HA 0.378 4.724 4.350 -0.006 0.000 0.363 856 T C 0.266 174.902 174.700 -0.106 0.000 1.239 856 T CA -0.747 61.328 62.100 -0.042 0.000 1.071 856 T CB 0.098 68.958 68.868 -0.014 0.000 1.089 856 T HN 0.670 nan 8.240 nan 0.000 0.527 857 R N 2.243 122.667 120.500 -0.127 0.000 2.527 857 R HA 0.587 4.923 4.340 -0.006 0.000 0.243 857 R C 0.613 176.847 176.300 -0.109 0.000 1.206 857 R CA -0.597 55.396 56.100 -0.179 0.000 1.134 857 R CB 0.514 30.623 30.300 -0.317 0.000 1.347 857 R HN 0.328 nan 8.270 nan 0.000 0.580 858 N N -0.702 117.937 118.700 -0.101 0.000 2.784 858 N HA 0.011 4.747 4.740 -0.006 0.000 0.227 858 N C 0.784 176.279 175.510 -0.024 0.000 1.109 858 N CA 0.749 53.768 53.050 -0.052 0.000 1.184 858 N CB -0.323 38.133 38.487 -0.052 0.000 1.554 858 N HN 0.669 nan 8.380 nan 0.000 0.589 859 S N -1.518 114.165 115.700 -0.029 0.000 2.917 859 S HA 0.311 4.777 4.470 -0.006 0.000 0.269 859 S C 1.533 176.122 174.600 -0.019 0.000 1.072 859 S CA -0.365 57.831 58.200 -0.007 0.000 0.967 859 S CB -0.139 63.065 63.200 0.007 0.000 0.906 859 S HN 0.111 nan 8.310 nan 0.000 0.463 860 L N 1.642 122.847 121.223 -0.029 0.000 2.313 860 L HA 0.380 4.716 4.340 -0.006 0.000 0.214 860 L C 1.944 178.787 176.870 -0.046 0.000 1.119 860 L CA 1.099 55.921 54.840 -0.029 0.000 0.809 860 L CB -0.352 41.693 42.059 -0.024 0.000 0.933 860 L HN 0.727 nan 8.230 nan 0.000 0.449 861 G N -1.080 107.674 108.800 -0.076 0.000 2.205 861 G HA2 -0.200 3.756 3.960 -0.006 0.000 0.180 861 G HA3 -0.200 3.756 3.960 -0.006 0.000 0.180 861 G C -0.214 174.621 174.900 -0.109 0.000 1.004 861 G CA -0.601 44.434 45.100 -0.107 0.000 0.670 861 G HN 0.242 nan 8.290 nan 0.000 0.496 862 N N 0.966 119.609 118.700 -0.095 0.000 2.452 862 N HA 0.393 5.129 4.740 -0.006 0.000 0.266 862 N C 0.457 175.880 175.510 -0.144 0.000 1.175 862 N CA -0.008 52.983 53.050 -0.097 0.000 0.945 862 N CB 1.772 40.216 38.487 -0.071 0.000 1.063 862 N HN 0.129 nan 8.380 nan 0.000 0.472 863 V N 3.875 123.678 119.914 -0.186 0.000 2.521 863 V HA 0.085 4.201 4.120 -0.006 0.000 0.286 863 V C 1.534 177.433 176.094 -0.325 0.000 1.034 863 V CA 0.136 62.253 62.300 -0.305 0.000 1.045 863 V CB 0.302 31.840 31.823 -0.474 0.000 0.974 863 V HN 0.585 nan 8.190 nan 0.000 0.480 864 I N 2.798 123.199 120.570 -0.282 0.000 2.899 864 I HA 0.160 4.326 4.170 -0.006 0.000 0.257 864 I C 0.756 176.730 176.117 -0.239 0.000 1.115 864 I CA 0.468 61.642 61.300 -0.211 0.000 1.451 864 I CB 0.204 38.129 38.000 -0.125 0.000 1.251 864 I HN 0.535 nan 8.210 nan 0.000 0.456 865 Q N 0.005 119.678 119.800 -0.211 0.000 2.321 865 Q HA 0.347 4.683 4.340 -0.006 0.000 0.270 865 Q C -0.288 175.624 176.000 -0.147 0.000 1.032 865 Q CA -0.527 55.199 55.803 -0.128 0.000 0.784 865 Q CB 2.230 30.978 28.738 0.017 0.000 1.264 865 Q HN 0.113 nan 8.270 nan 0.000 0.448 866 F N 1.149 121.110 119.950 0.019 0.000 2.186 866 F HA -0.009 4.514 4.527 -0.006 0.000 0.299 866 F C 0.819 176.637 175.800 0.030 0.000 1.090 866 F CA 0.889 58.900 58.000 0.018 0.000 1.307 866 F CB 0.366 39.371 39.000 0.008 0.000 1.019 866 F HN 0.365 nan 8.300 nan 0.000 0.489 867 I N -1.109 119.583 120.570 0.203 0.000 2.478 867 I HA 0.121 4.287 4.170 -0.006 0.000 0.287 867 I C -0.911 175.273 176.117 0.111 0.000 1.042 867 I CA -1.314 60.063 61.300 0.129 0.000 1.067 867 I CB 1.214 39.268 38.000 0.090 0.000 1.233 867 I HN -0.184 nan 8.210 nan 0.000 0.431 868 Y N 6.326 126.627 120.300 0.001 0.000 2.721 868 Y HA 0.290 4.836 4.550 -0.006 0.000 0.329 868 Y C 1.308 177.200 175.900 -0.014 0.000 1.211 868 Y CA 0.819 58.907 58.100 -0.020 0.000 1.512 868 Y CB 0.389 38.829 38.460 -0.034 0.000 1.249 868 Y HN 0.875 nan 8.280 nan 0.000 0.549 869 G N 4.354 112.844 108.800 -0.516 0.000 2.153 869 G HA2 -0.350 3.606 3.960 -0.006 0.000 0.252 869 G HA3 -0.350 3.606 3.960 -0.006 0.000 0.252 869 G C 0.352 175.167 174.900 -0.141 0.000 0.994 869 G CA 0.425 45.231 45.100 -0.490 0.000 0.698 869 G HN 0.978 nan 8.290 nan 0.000 0.521 870 E N -1.481 118.686 120.200 -0.055 0.000 3.065 870 E HA -0.319 4.028 4.350 -0.006 0.000 0.277 870 E C 1.007 177.590 176.600 -0.029 0.000 1.008 870 E CA 1.453 57.854 56.400 0.002 0.000 0.864 870 E CB -0.768 28.956 29.700 0.041 0.000 1.439 870 E HN 0.909 nan 8.360 nan 0.000 0.445 871 D N -2.525 117.836 120.400 -0.064 0.000 2.059 871 D HA 0.099 4.736 4.640 -0.006 0.000 0.398 871 D C 1.121 177.379 176.300 -0.070 0.000 1.003 871 D CA 0.615 54.583 54.000 -0.052 0.000 0.916 871 D CB -0.436 40.329 40.800 -0.058 0.000 1.647 871 D HN 0.356 nan 8.370 nan 0.000 0.529 872 G N 1.153 109.892 108.800 -0.101 0.000 2.149 872 G HA2 -0.180 3.777 3.960 -0.006 0.000 0.235 872 G HA3 -0.180 3.777 3.960 -0.006 0.000 0.235 872 G C -0.163 174.661 174.900 -0.125 0.000 1.018 872 G CA 0.439 45.500 45.100 -0.065 0.000 0.728 872 G HN 0.248 nan 8.290 nan 0.000 0.508 873 M N 0.636 120.138 119.600 -0.163 0.000 2.268 873 M HA 0.371 4.847 4.480 -0.006 0.000 0.344 873 M C -0.161 176.105 176.300 -0.057 0.000 1.106 873 M CA -1.124 54.076 55.300 -0.167 0.000 1.010 873 M CB 1.344 33.841 32.600 -0.173 0.000 1.649 873 M HN 0.193 nan 8.290 nan 0.000 0.443 874 D N 2.051 122.459 120.400 0.012 0.000 2.390 874 D HA 0.339 4.975 4.640 -0.006 0.000 0.249 874 D C 0.983 177.376 176.300 0.154 0.000 1.144 874 D CA 0.169 54.259 54.000 0.150 0.000 0.880 874 D CB 1.278 42.209 40.800 0.218 0.000 1.182 874 D HN 0.709 nan 8.370 nan 0.000 0.451 875 A N 3.905 126.813 122.820 0.147 0.000 2.019 875 A HA -0.054 4.262 4.320 -0.006 0.000 0.219 875 A C 2.027 179.688 177.584 0.128 0.000 1.164 875 A CA 1.705 53.818 52.037 0.126 0.000 0.644 875 A CB -0.595 18.492 19.000 0.145 0.000 0.805 875 A HN 0.653 nan 8.150 nan 0.000 0.449 876 A N -1.507 121.373 122.820 0.100 0.000 2.121 876 A HA -0.074 4.242 4.320 -0.006 0.000 0.218 876 A C 1.323 178.816 177.584 -0.152 0.000 1.154 876 A CA 0.781 52.793 52.037 -0.043 0.000 0.679 876 A CB -0.569 18.360 19.000 -0.118 0.000 0.795 876 A HN 0.659 nan 8.150 nan 0.000 0.458 877 H N -0.956 118.151 119.070 0.061 0.000 2.539 877 H HA 0.472 5.024 4.556 -0.006 0.000 0.293 877 H C -0.970 174.407 175.328 0.081 0.000 1.156 877 H CA -0.013 56.071 56.048 0.059 0.000 1.012 877 H CB -0.108 29.657 29.762 0.004 0.000 1.600 877 H HN 0.317 nan 8.280 nan 0.000 0.538 878 I N 0.940 121.629 120.570 0.197 0.000 2.619 878 I HA 0.211 4.377 4.170 -0.006 0.000 0.292 878 I C -0.475 175.770 176.117 0.214 0.000 1.100 878 I CA -0.513 60.902 61.300 0.192 0.000 1.043 878 I CB 3.016 41.121 38.000 0.175 0.000 1.239 878 I HN 0.077 nan 8.210 nan 0.000 0.420 879 E N 4.107 124.398 120.200 0.151 0.000 2.367 879 E HA 0.363 4.709 4.350 -0.006 0.000 0.273 879 E C -1.194 175.442 176.600 0.059 0.000 0.903 879 E CA -1.052 55.388 56.400 0.066 0.000 0.764 879 E CB 2.245 31.923 29.700 -0.036 0.000 1.252 879 E HN 0.318 nan 8.360 nan 0.000 0.446 880 K N 2.514 122.914 120.400 0.001 0.000 2.110 880 K HA 0.083 4.399 4.320 -0.006 0.000 0.260 880 K C -0.434 176.145 176.600 -0.036 0.000 1.126 880 K CA 0.155 56.424 56.287 -0.030 0.000 1.005 880 K CB 0.193 32.622 32.500 -0.118 0.000 1.336 880 K HN 0.308 nan 8.250 nan 0.000 0.369 881 Q N 0.828 120.636 119.800 0.013 0.000 2.214 881 Q HA 0.167 4.503 4.340 -0.006 0.000 0.251 881 Q C -0.188 175.812 176.000 0.000 0.000 0.936 881 Q CA -0.602 55.210 55.803 0.015 0.000 0.894 881 Q CB 1.741 30.511 28.738 0.053 0.000 1.252 881 Q HN 0.498 nan 8.270 nan 0.000 0.448 882 S N 1.517 117.212 115.700 -0.008 0.000 2.475 882 S HA 0.377 4.843 4.470 -0.006 0.000 0.281 882 S C -0.124 174.487 174.600 0.017 0.000 1.198 882 S CA -0.764 57.423 58.200 -0.022 0.000 1.063 882 S CB 0.276 63.457 63.200 -0.031 0.000 0.972 882 S HN 0.464 nan 8.310 nan 0.000 0.486 883 L N 3.502 124.737 121.223 0.020 0.000 2.433 883 L HA 0.215 4.551 4.340 -0.006 0.000 0.284 883 L C 0.484 177.386 176.870 0.054 0.000 1.120 883 L CA -0.405 54.462 54.840 0.045 0.000 0.879 883 L CB 0.071 42.165 42.059 0.059 0.000 1.232 883 L HN 0.706 nan 8.230 nan 0.000 0.454 884 D N 0.818 121.271 120.400 0.088 0.000 2.363 884 D HA -0.073 4.564 4.640 -0.006 0.000 0.220 884 D C 1.703 178.107 176.300 0.173 0.000 0.994 884 D CA 0.670 54.756 54.000 0.142 0.000 0.890 884 D CB 0.287 41.210 40.800 0.205 0.000 0.906 884 D HN 0.542 nan 8.370 nan 0.000 0.530 885 T N 0.829 115.439 114.554 0.094 0.000 2.812 885 T HA -0.019 4.328 4.350 -0.006 0.000 0.264 885 T C 2.279 177.006 174.700 0.045 0.000 1.042 885 T CA 0.521 62.654 62.100 0.055 0.000 1.140 885 T CB 0.094 68.957 68.868 -0.008 0.000 0.870 885 T HN 0.176 nan 8.240 nan 0.000 0.445 886 I N 1.207 121.806 120.570 0.049 0.000 2.193 886 I HA 0.072 4.239 4.170 -0.006 0.000 0.240 886 I C 1.852 178.010 176.117 0.067 0.000 1.084 886 I CA 0.435 61.764 61.300 0.048 0.000 1.365 886 I CB -1.031 36.995 38.000 0.043 0.000 1.064 886 I HN 0.188 nan 8.210 nan 0.000 0.410 887 G N 0.589 109.420 108.800 0.052 0.000 2.554 887 G HA2 0.407 4.363 3.960 -0.006 0.000 0.238 887 G HA3 0.407 4.363 3.960 -0.006 0.000 0.238 887 G C 0.243 175.221 174.900 0.130 0.000 1.259 887 G CA 0.464 45.600 45.100 0.060 0.000 0.843 887 G HN 0.712 nan 8.290 nan 0.000 0.582 888 G N -0.366 108.513 108.800 0.132 0.000 2.663 888 G HA2 0.294 4.250 3.960 -0.006 0.000 0.686 888 G HA3 0.294 4.250 3.960 -0.006 0.000 0.686 888 G C 0.226 175.215 174.900 0.148 0.000 1.288 888 G CA 0.223 45.410 45.100 0.144 0.000 0.836 888 G HN 1.980 nan 8.290 nan 0.000 0.584 889 S N -0.543 115.236 115.700 0.132 0.000 2.634 889 S HA 0.509 4.975 4.470 -0.006 0.000 0.261 889 S C 0.905 175.582 174.600 0.129 0.000 1.271 889 S CA 0.506 58.770 58.200 0.106 0.000 0.985 889 S CB 1.372 64.624 63.200 0.087 0.000 0.968 889 S HN 0.595 nan 8.310 nan 0.000 0.568 890 D N 0.639 121.094 120.400 0.091 0.000 2.219 890 D HA 0.041 4.677 4.640 -0.006 0.000 0.205 890 D C 2.039 178.461 176.300 0.203 0.000 0.970 890 D CA 1.415 55.483 54.000 0.113 0.000 0.851 890 D CB -0.566 40.267 40.800 0.056 0.000 0.943 890 D HN 0.642 nan 8.370 nan 0.000 0.488 891 A N 0.899 123.813 122.820 0.157 0.000 1.874 891 A HA 0.116 4.432 4.320 -0.006 0.000 0.214 891 A C 2.267 179.953 177.584 0.170 0.000 1.189 891 A CA 1.571 53.697 52.037 0.149 0.000 0.615 891 A CB -0.498 18.561 19.000 0.098 0.000 0.830 891 A HN 0.198 nan 8.150 nan 0.000 0.443 892 A N -1.340 121.580 122.820 0.167 0.000 2.014 892 A HA 0.036 4.352 4.320 -0.006 0.000 0.218 892 A C 1.954 179.666 177.584 0.214 0.000 1.163 892 A CA 1.332 53.459 52.037 0.149 0.000 0.652 892 A CB -0.691 18.381 19.000 0.120 0.000 0.808 892 A HN 0.660 nan 8.150 nan 0.000 0.449 893 F N 0.884 120.928 119.950 0.157 0.000 2.134 893 F HA -0.155 4.368 4.527 -0.006 0.000 0.299 893 F C 2.066 178.060 175.800 0.322 0.000 1.097 893 F CA 2.122 60.273 58.000 0.251 0.000 1.264 893 F CB -0.135 38.973 39.000 0.181 0.000 1.001 893 F HN 0.398 nan 8.300 nan 0.000 0.479 894 E N 0.215 120.573 120.200 0.262 0.000 2.150 894 E HA -0.222 4.124 4.350 -0.006 0.000 0.193 894 E C 1.839 178.469 176.600 0.049 0.000 0.985 894 E CA 0.744 57.239 56.400 0.158 0.000 0.814 894 E CB -0.161 29.665 29.700 0.209 0.000 0.752 894 E HN 0.342 nan 8.360 nan 0.000 0.466 895 K N 0.059 120.488 120.400 0.048 0.000 2.505 895 K HA 0.005 4.321 4.320 -0.006 0.000 0.192 895 K C 1.651 178.188 176.600 -0.104 0.000 1.025 895 K CA 0.133 56.411 56.287 -0.016 0.000 1.086 895 K CB 0.256 32.755 32.500 -0.003 0.000 0.840 895 K HN -0.059 nan 8.250 nan 0.000 0.514 896 R N -1.316 119.085 120.500 -0.164 0.000 2.568 896 R HA 0.084 4.420 4.340 -0.006 0.000 0.254 896 R C 0.353 176.259 176.300 -0.657 0.000 0.925 896 R CA 0.188 56.049 56.100 -0.398 0.000 1.025 896 R CB 0.620 30.658 30.300 -0.437 0.000 1.428 896 R HN 0.133 nan 8.270 nan 0.000 0.573 897 Y N -0.818 119.350 120.300 -0.219 0.000 2.476 897 Y HA 0.287 4.833 4.550 -0.006 0.000 0.274 897 Y C 0.317 176.170 175.900 -0.078 0.000 1.120 897 Y CA -0.507 57.492 58.100 -0.170 0.000 1.214 897 Y CB 0.495 38.745 38.460 -0.349 0.000 1.285 897 Y HN -0.205 nan 8.280 nan 0.000 0.520 898 R N 2.178 122.634 120.500 -0.073 0.000 2.399 898 R HA 0.299 4.636 4.340 -0.006 0.000 0.324 898 R C -1.413 174.766 176.300 -0.202 0.000 1.030 898 R CA 0.193 56.046 56.100 -0.412 0.000 0.984 898 R CB 0.016 30.023 30.300 -0.488 0.000 0.961 898 R HN -0.076 nan 8.270 nan 0.000 0.433 899 V N 4.952 124.761 119.914 -0.175 0.000 2.347 899 V HA 0.266 4.382 4.120 -0.006 0.000 0.280 899 V C -0.334 175.701 176.094 -0.100 0.000 1.021 899 V CA -0.632 61.612 62.300 -0.094 0.000 0.847 899 V CB 1.365 33.160 31.823 -0.047 0.000 0.990 899 V HN 0.718 nan 8.190 nan 0.000 0.444 900 D N 4.226 124.587 120.400 -0.065 0.000 2.446 900 D HA 0.376 5.012 4.640 -0.006 0.000 0.251 900 D C 0.752 177.035 176.300 -0.027 0.000 1.137 900 D CA -0.330 53.636 54.000 -0.057 0.000 0.890 900 D CB 1.774 42.535 40.800 -0.066 0.000 1.071 900 D HN 0.413 nan 8.370 nan 0.000 0.528 901 L N 2.525 123.730 121.223 -0.030 0.000 2.376 901 L HA 0.023 4.359 4.340 -0.006 0.000 0.219 901 L C 1.464 178.323 176.870 -0.019 0.000 1.133 901 L CA 0.711 55.538 54.840 -0.022 0.000 0.816 901 L CB 0.013 42.058 42.059 -0.023 0.000 0.933 901 L HN 0.339 nan 8.230 nan 0.000 0.449 902 L N 0.172 121.381 121.223 -0.023 0.000 2.968 902 L HA 0.259 4.596 4.340 -0.006 0.000 0.235 902 L C -0.008 176.850 176.870 -0.019 0.000 1.323 902 L CA -0.035 54.792 54.840 -0.022 0.000 1.159 902 L CB -0.674 41.369 42.059 -0.026 0.000 1.523 902 L HN 0.216 nan 8.230 nan 0.000 0.468 903 N N -1.136 117.561 118.700 -0.006 0.000 2.636 903 N HA 0.156 4.892 4.740 -0.006 0.000 0.261 903 N C 0.199 175.722 175.510 0.022 0.000 1.195 903 N CA -0.126 52.931 53.050 0.012 0.000 0.902 903 N CB 2.067 40.570 38.487 0.026 0.000 1.627 903 N HN -0.154 nan 8.380 nan 0.000 0.491 904 T N -0.148 114.420 114.554 0.023 0.000 2.937 904 T HA 0.038 4.384 4.350 -0.006 0.000 0.260 904 T C 0.585 175.291 174.700 0.011 0.000 1.051 904 T CA 0.960 63.067 62.100 0.011 0.000 1.141 904 T CB 0.129 69.000 68.868 0.005 0.000 0.879 904 T HN 0.454 nan 8.240 nan 0.000 0.459 905 D N 0.448 120.873 120.400 0.042 0.000 2.333 905 D HA 0.029 4.665 4.640 -0.006 0.000 0.208 905 D C 0.962 177.213 176.300 -0.081 0.000 0.984 905 D CA 0.827 54.830 54.000 0.006 0.000 0.873 905 D CB 0.062 40.895 40.800 0.054 0.000 0.935 905 D HN 0.437 nan 8.370 nan 0.000 0.521 906 H N -1.100 117.941 119.070 -0.048 0.000 2.784 906 H HA 0.181 4.733 4.556 -0.006 0.000 0.273 906 H C 0.293 175.580 175.328 -0.069 0.000 1.112 906 H CA -0.009 56.002 56.048 -0.062 0.000 1.162 906 H CB 0.871 30.591 29.762 -0.070 0.000 1.586 906 H HN -0.134 nan 8.280 nan 0.000 0.548 907 T N 0.195 114.759 114.554 0.016 0.000 2.881 907 T HA 0.367 4.713 4.350 -0.006 0.000 0.278 907 T C 0.127 174.802 174.700 -0.042 0.000 0.982 907 T CA -0.731 61.361 62.100 -0.015 0.000 0.989 907 T CB 0.492 69.351 68.868 -0.014 0.000 1.058 907 T HN 0.137 nan 8.240 nan 0.000 0.529 908 L N 3.172 124.368 121.223 -0.044 0.000 2.410 908 L HA 0.219 4.555 4.340 -0.006 0.000 0.273 908 L C 0.985 177.828 176.870 -0.044 0.000 1.144 908 L CA -0.290 54.520 54.840 -0.051 0.000 0.863 908 L CB 0.296 42.325 42.059 -0.051 0.000 1.140 908 L HN 0.654 nan 8.230 nan 0.000 0.463 909 D N 6.426 126.798 120.400 -0.047 0.000 2.450 909 D HA 0.014 4.650 4.640 -0.006 0.000 0.247 909 D C -1.492 174.788 176.300 -0.033 0.000 1.162 909 D CA -1.146 52.831 54.000 -0.039 0.000 0.879 909 D CB 1.492 42.269 40.800 -0.040 0.000 1.163 909 D HN 0.327 nan 8.370 nan 0.000 0.472 910 P HA -0.097 nan 4.420 nan 0.000 0.240 910 P C 0.809 178.094 177.300 -0.024 0.000 1.186 910 P CA 0.491 63.576 63.100 -0.026 0.000 0.755 910 P CB -0.051 31.635 31.700 -0.022 0.000 0.870 911 S N -1.883 113.804 115.700 -0.023 0.000 2.548 911 S HA 0.114 4.580 4.470 -0.006 0.000 0.215 911 S C 1.615 176.204 174.600 -0.019 0.000 0.976 911 S CA -0.061 58.128 58.200 -0.018 0.000 0.908 911 S CB -0.837 62.353 63.200 -0.015 0.000 0.781 911 S HN 0.117 nan 8.310 nan 0.000 0.519 912 L N -0.254 120.954 121.223 -0.025 0.000 2.316 912 L HA 0.488 4.825 4.340 -0.006 0.000 0.207 912 L C 0.279 177.129 176.870 -0.033 0.000 1.070 912 L CA 0.082 54.906 54.840 -0.027 0.000 0.820 912 L CB 0.056 42.094 42.059 -0.034 0.000 0.992 912 L HN 0.297 nan 8.230 nan 0.000 0.466 913 L N -0.765 120.436 121.223 -0.037 0.000 2.365 913 L HA 0.281 4.617 4.340 -0.006 0.000 0.273 913 L C 0.833 177.682 176.870 -0.035 0.000 1.000 913 L CA -0.034 54.781 54.840 -0.042 0.000 0.819 913 L CB 1.692 43.720 42.059 -0.050 0.000 1.284 913 L HN 0.021 nan 8.230 nan 0.000 0.418 914 E N 0.943 121.122 120.200 -0.035 0.000 2.106 914 E HA -0.130 4.216 4.350 -0.006 0.000 0.192 914 E C 0.923 177.506 176.600 -0.028 0.000 0.984 914 E CA 1.270 57.653 56.400 -0.029 0.000 0.806 914 E CB 0.296 29.979 29.700 -0.028 0.000 0.750 914 E HN 0.802 nan 8.360 nan 0.000 0.458 915 S N -0.979 114.701 115.700 -0.033 0.000 2.679 915 S HA 0.176 4.642 4.470 -0.006 0.000 0.233 915 S C 1.456 176.037 174.600 -0.031 0.000 0.951 915 S CA 0.011 58.192 58.200 -0.031 0.000 0.973 915 S CB 0.745 63.925 63.200 -0.034 0.000 0.778 915 S HN 0.290 nan 8.310 nan 0.000 0.477 916 G N 2.623 111.404 108.800 -0.032 0.000 2.394 916 G HA2 -0.143 3.813 3.960 -0.006 0.000 0.215 916 G HA3 -0.143 3.813 3.960 -0.006 0.000 0.215 916 G C 1.674 176.559 174.900 -0.026 0.000 1.165 916 G CA 0.813 45.894 45.100 -0.032 0.000 0.784 916 G HN 0.740 nan 8.290 nan 0.000 0.535 917 S N 1.474 117.161 115.700 -0.023 0.000 2.402 917 S HA -0.108 4.358 4.470 -0.006 0.000 0.229 917 S C 1.992 176.581 174.600 -0.018 0.000 1.021 917 S CA 1.617 59.806 58.200 -0.020 0.000 0.974 917 S CB -0.353 62.836 63.200 -0.017 0.000 0.800 917 S HN 0.728 nan 8.310 nan 0.000 0.484 918 E N 0.607 120.796 120.200 -0.018 0.000 2.481 918 E HA 0.191 4.538 4.350 -0.006 0.000 0.195 918 E C 1.645 178.235 176.600 -0.018 0.000 1.047 918 E CA 0.256 56.646 56.400 -0.017 0.000 0.867 918 E CB -0.323 29.367 29.700 -0.016 0.000 0.858 918 E HN 0.583 nan 8.360 nan 0.000 0.513 919 I N 0.792 121.350 120.570 -0.020 0.000 3.265 919 I HA 0.031 4.197 4.170 -0.006 0.000 0.282 919 I C 1.074 177.179 176.117 -0.020 0.000 1.207 919 I CA -0.277 61.010 61.300 -0.021 0.000 1.449 919 I CB 0.429 38.413 38.000 -0.026 0.000 1.121 919 I HN 0.156 nan 8.210 nan 0.000 0.442 920 L N 2.597 123.808 121.223 -0.019 0.000 2.825 920 L HA -0.023 4.313 4.340 -0.006 0.000 0.278 920 L C 0.990 177.851 176.870 -0.015 0.000 1.125 920 L CA 0.977 55.806 54.840 -0.018 0.000 1.023 920 L CB -0.314 41.735 42.059 -0.017 0.000 1.377 920 L HN 0.485 nan 8.230 nan 0.000 0.471 921 G N 2.147 110.938 108.800 -0.015 0.000 2.184 921 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.206 921 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.206 921 G C 0.091 174.984 174.900 -0.013 0.000 0.995 921 G CA -0.038 45.054 45.100 -0.014 0.000 0.651 921 G HN 0.636 nan 8.290 nan 0.000 0.511 922 D N 0.440 120.832 120.400 -0.014 0.000 2.383 922 D HA 0.275 4.911 4.640 -0.006 0.000 0.252 922 D C 1.578 177.871 176.300 -0.011 0.000 1.166 922 D CA -0.156 53.837 54.000 -0.012 0.000 0.879 922 D CB 1.159 41.951 40.800 -0.014 0.000 1.164 922 D HN 0.151 nan 8.370 nan 0.000 0.462 923 L N 4.660 125.878 121.223 -0.009 0.000 2.095 923 L HA -0.087 4.249 4.340 -0.006 0.000 0.204 923 L C 2.239 179.105 176.870 -0.006 0.000 1.080 923 L CA 0.953 55.789 54.840 -0.008 0.000 0.759 923 L CB 0.076 42.131 42.059 -0.007 0.000 0.914 923 L HN 0.348 nan 8.230 nan 0.000 0.439 924 K N -0.385 120.011 120.400 -0.006 0.000 2.097 924 K HA -0.142 4.175 4.320 -0.006 0.000 0.206 924 K C 1.948 178.545 176.600 -0.005 0.000 1.049 924 K CA 1.248 57.532 56.287 -0.005 0.000 0.933 924 K CB -0.106 32.390 32.500 -0.006 0.000 0.717 924 K HN 0.320 nan 8.250 nan 0.000 0.442 925 L N 0.337 121.556 121.223 -0.008 0.000 2.270 925 L HA -0.093 4.243 4.340 -0.006 0.000 0.210 925 L C 2.520 179.386 176.870 -0.007 0.000 1.104 925 L CA 0.548 55.382 54.840 -0.009 0.000 0.804 925 L CB -0.111 41.940 42.059 -0.015 0.000 0.937 925 L HN 0.097 nan 8.230 nan 0.000 0.450 926 Q N 0.133 119.929 119.800 -0.007 0.000 2.167 926 Q HA -0.121 4.215 4.340 -0.006 0.000 0.202 926 Q C 2.055 178.057 176.000 0.003 0.000 0.970 926 Q CA 1.484 57.283 55.803 -0.006 0.000 0.855 926 Q CB -0.181 28.550 28.738 -0.011 0.000 0.911 926 Q HN 0.286 nan 8.270 nan 0.000 0.438 927 V N 0.331 120.247 119.914 0.004 0.000 2.343 927 V HA -0.257 3.859 4.120 -0.006 0.000 0.247 927 V C 2.210 178.313 176.094 0.016 0.000 1.051 927 V CA 1.745 64.051 62.300 0.010 0.000 1.036 927 V CB -0.556 31.271 31.823 0.006 0.000 0.654 927 V HN 0.379 nan 8.190 nan 0.000 0.451 928 L N -0.998 120.232 121.223 0.011 0.000 2.141 928 L HA -0.118 4.218 4.340 -0.006 0.000 0.209 928 L C 2.318 179.203 176.870 0.024 0.000 1.094 928 L CA 1.168 56.017 54.840 0.014 0.000 0.763 928 L CB -0.382 41.681 42.059 0.007 0.000 0.908 928 L HN 0.305 nan 8.230 nan 0.000 0.437 929 L N -0.699 120.538 121.223 0.022 0.000 2.109 929 L HA -0.153 4.183 4.340 -0.006 0.000 0.207 929 L C 2.061 178.971 176.870 0.067 0.000 1.086 929 L CA 0.800 55.660 54.840 0.034 0.000 0.760 929 L CB -0.361 41.705 42.059 0.010 0.000 0.910 929 L HN 0.241 nan 8.230 nan 0.000 0.437 930 D N 0.049 120.485 120.400 0.060 0.000 2.178 930 D HA -0.165 4.472 4.640 -0.006 0.000 0.202 930 D C 1.979 178.344 176.300 0.108 0.000 0.974 930 D CA 0.979 55.038 54.000 0.097 0.000 0.841 930 D CB 0.067 40.906 40.800 0.065 0.000 0.953 930 D HN 0.354 nan 8.370 nan 0.000 0.478 931 E N 0.408 120.648 120.200 0.066 0.000 2.268 931 E HA -0.134 4.212 4.350 -0.006 0.000 0.195 931 E C 1.802 178.431 176.600 0.049 0.000 0.995 931 E CA 0.408 56.836 56.400 0.047 0.000 0.836 931 E CB 0.171 29.887 29.700 0.027 0.000 0.763 931 E HN 0.373 nan 8.360 nan 0.000 0.491 932 E N -0.164 120.081 120.200 0.074 0.000 2.086 932 E HA -0.152 4.194 4.350 -0.006 0.000 0.190 932 E C 1.732 178.398 176.600 0.109 0.000 0.975 932 E CA 0.415 56.861 56.400 0.078 0.000 0.813 932 E CB 0.017 29.769 29.700 0.087 0.000 0.768 932 E HN 0.242 nan 8.360 nan 0.000 0.457 933 Y N 1.403 121.720 120.300 0.029 0.000 2.220 933 Y HA -0.106 4.440 4.550 -0.006 0.000 0.291 933 Y C 2.172 178.108 175.900 0.061 0.000 1.129 933 Y CA 1.691 59.817 58.100 0.044 0.000 1.161 933 Y CB 0.049 38.534 38.460 0.041 0.000 0.997 933 Y HN -0.104 nan 8.280 nan 0.000 0.522 934 K N 0.269 120.705 120.400 0.061 0.000 2.209 934 K HA -0.209 4.108 4.320 -0.006 0.000 0.204 934 K C 2.111 178.670 176.600 -0.068 0.000 1.048 934 K CA 1.415 57.691 56.287 -0.018 0.000 0.940 934 K CB -0.203 32.324 32.500 0.046 0.000 0.729 934 K HN 0.345 nan 8.250 nan 0.000 0.451 935 Q N 0.236 120.006 119.800 -0.051 0.000 2.123 935 Q HA -0.006 4.330 4.340 -0.006 0.000 0.199 935 Q C 1.661 177.603 176.000 -0.097 0.000 0.966 935 Q CA 1.474 57.237 55.803 -0.066 0.000 0.845 935 Q CB -0.110 28.600 28.738 -0.046 0.000 0.907 935 Q HN 0.393 nan 8.270 nan 0.000 0.439 936 L N -0.753 120.399 121.223 -0.119 0.000 2.141 936 L HA -0.104 4.232 4.340 -0.006 0.000 0.209 936 L C 2.140 178.943 176.870 -0.112 0.000 1.094 936 L CA 0.596 55.365 54.840 -0.119 0.000 0.763 936 L CB -0.289 41.682 42.059 -0.146 0.000 0.908 936 L HN 0.098 nan 8.230 nan 0.000 0.437 937 V N -0.267 119.528 119.914 -0.198 0.000 2.453 937 V HA -0.244 3.872 4.120 -0.006 0.000 0.247 937 V C 2.487 178.502 176.094 -0.133 0.000 1.048 937 V CA 1.536 63.712 62.300 -0.208 0.000 1.049 937 V CB -0.476 31.217 31.823 -0.217 0.000 0.672 937 V HN 0.409 nan 8.190 nan 0.000 0.457 938 K N 0.113 120.457 120.400 -0.093 0.000 2.097 938 K HA -0.205 4.111 4.320 -0.006 0.000 0.205 938 K C 1.721 178.316 176.600 -0.009 0.000 1.050 938 K CA 1.729 57.991 56.287 -0.041 0.000 0.938 938 K CB -0.115 32.358 32.500 -0.045 0.000 0.718 938 K HN 0.420 nan 8.250 nan 0.000 0.442 939 D N 0.039 120.406 120.400 -0.054 0.000 2.178 939 D HA -0.118 4.519 4.640 -0.006 0.000 0.202 939 D C 1.869 178.171 176.300 0.005 0.000 0.974 939 D CA 0.781 54.765 54.000 -0.026 0.000 0.841 939 D CB -0.010 40.745 40.800 -0.074 0.000 0.953 939 D HN 0.103 nan 8.370 nan 0.000 0.478 940 R N 0.831 121.278 120.500 -0.088 0.000 2.083 940 R HA -0.073 4.263 4.340 -0.006 0.000 0.237 940 R C 1.806 178.071 176.300 -0.059 0.000 1.137 940 R CA 1.289 57.300 56.100 -0.149 0.000 0.951 940 R CB 0.127 30.210 30.300 -0.362 0.000 0.851 940 R HN -0.056 nan 8.270 nan 0.000 0.434 941 K N -0.839 119.540 120.400 -0.035 0.000 2.116 941 K HA -0.076 4.240 4.320 -0.006 0.000 0.203 941 K C 1.985 178.598 176.600 0.021 0.000 1.052 941 K CA 1.025 57.303 56.287 -0.016 0.000 0.952 941 K CB -0.423 32.062 32.500 -0.024 0.000 0.729 941 K HN 0.180 nan 8.250 nan 0.000 0.446 942 F N 1.979 121.886 119.950 -0.073 0.000 2.126 942 F HA -0.188 4.336 4.527 -0.006 0.000 0.299 942 F C 2.001 177.755 175.800 -0.076 0.000 1.096 942 F CA 1.337 59.292 58.000 -0.076 0.000 1.255 942 F CB -0.082 38.875 39.000 -0.072 0.000 0.997 942 F HN -0.114 nan 8.300 nan 0.000 0.479 943 L N -0.584 120.755 121.223 0.194 0.000 2.156 943 L HA -0.094 4.243 4.340 -0.006 0.000 0.208 943 L C 2.358 179.290 176.870 0.104 0.000 1.095 943 L CA 0.901 55.845 54.840 0.172 0.000 0.770 943 L CB -0.495 41.708 42.059 0.240 0.000 0.914 943 L HN -0.021 nan 8.230 nan 0.000 0.439 944 R N -0.100 120.439 120.500 0.064 0.000 2.236 944 R HA -0.071 4.265 4.340 -0.006 0.000 0.208 944 R C 1.742 178.021 176.300 -0.034 0.000 1.036 944 R CA 0.563 56.704 56.100 0.068 0.000 1.001 944 R CB 0.039 30.384 30.300 0.075 0.000 0.896 944 R HN 0.420 nan 8.270 nan 0.000 0.464 945 E N -0.184 119.933 120.200 -0.139 0.000 2.371 945 E HA -0.059 4.287 4.350 -0.006 0.000 0.194 945 E C 1.391 177.802 176.600 -0.315 0.000 1.012 945 E CA 0.534 56.795 56.400 -0.232 0.000 0.860 945 E CB 0.511 30.017 29.700 -0.323 0.000 0.811 945 E HN 0.091 nan 8.360 nan 0.000 0.502 946 V N -0.191 119.495 119.914 -0.379 0.000 2.599 946 V HA 0.017 4.133 4.120 -0.006 0.000 0.237 946 V C 0.450 176.182 176.094 -0.603 0.000 1.081 946 V CA 0.666 62.601 62.300 -0.608 0.000 1.107 946 V CB 0.039 31.326 31.823 -0.892 0.000 0.808 946 V HN 0.075 nan 8.190 nan 0.000 0.486 947 F N 0.644 120.514 119.950 -0.134 0.000 2.351 947 F HA 0.355 4.878 4.527 -0.006 0.000 0.362 947 F C 1.101 176.909 175.800 0.013 0.000 1.131 947 F CA -0.278 57.682 58.000 -0.067 0.000 1.187 947 F CB 0.603 39.597 39.000 -0.009 0.000 1.434 947 F HN -0.168 nan 8.300 nan 0.000 0.553 948 V N 0.962 120.953 119.914 0.128 0.000 2.515 948 V HA -0.225 3.891 4.120 -0.006 0.000 0.250 948 V C 1.636 177.853 176.094 0.206 0.000 1.058 948 V CA 1.525 63.903 62.300 0.130 0.000 1.064 948 V CB -0.355 31.491 31.823 0.039 0.000 0.675 948 V HN 0.606 nan 8.190 nan 0.000 0.461 949 D N 0.967 121.479 120.400 0.187 0.000 2.144 949 D HA -0.053 4.583 4.640 -0.006 0.000 0.199 949 D C 1.939 178.236 176.300 -0.005 0.000 0.984 949 D CA 1.634 55.719 54.000 0.142 0.000 0.834 949 D CB -0.342 40.555 40.800 0.162 0.000 0.955 949 D HN 0.586 nan 8.370 nan 0.000 0.465 950 G N 1.168 109.913 108.800 -0.092 0.000 2.137 950 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.237 950 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.237 950 G C 0.011 174.684 174.900 -0.378 0.000 1.002 950 G CA 0.209 44.943 45.100 -0.610 0.000 0.702 950 G HN 0.315 nan 8.290 nan 0.000 0.515 951 E N 0.258 120.388 120.200 -0.118 0.000 2.299 951 E HA 0.657 5.003 4.350 -0.006 0.000 0.272 951 E C 1.449 177.901 176.600 -0.246 0.000 1.043 951 E CA 0.833 57.106 56.400 -0.212 0.000 0.895 951 E CB 0.630 30.161 29.700 -0.282 0.000 1.011 951 E HN 0.570 nan 8.360 nan 0.000 0.432 952 A N 5.151 127.806 122.820 -0.276 0.000 1.898 952 A HA -0.043 4.273 4.320 -0.006 0.000 0.214 952 A C 0.559 177.995 177.584 -0.248 0.000 1.183 952 A CA 0.540 52.462 52.037 -0.191 0.000 0.622 952 A CB -0.115 18.804 19.000 -0.134 0.000 0.824 952 A HN 0.633 nan 8.150 nan 0.000 0.444 953 N N -0.434 118.014 118.700 -0.420 0.000 2.430 953 N HA 0.322 5.058 4.740 -0.006 0.000 0.265 953 N C -1.519 173.556 175.510 -0.725 0.000 1.100 953 N CA 0.390 53.189 53.050 -0.419 0.000 0.961 953 N CB 0.489 38.759 38.487 -0.362 0.000 1.075 953 N HN 0.517 nan 8.380 nan 0.000 0.478 954 W N 1.598 122.795 121.300 -0.172 0.000 3.256 954 W HA 0.285 4.941 4.660 -0.006 0.000 0.324 954 W C -2.129 174.369 176.519 -0.034 0.000 1.196 954 W CA -1.767 55.491 57.345 -0.145 0.000 1.206 954 W CB 1.618 30.913 29.460 -0.276 0.000 1.385 954 W HN 0.315 nan 8.180 nan 0.000 0.522 955 P HA 0.109 nan 4.420 nan 0.000 0.260 955 P C -0.856 176.583 177.300 0.231 0.000 1.207 955 P CA 0.784 64.041 63.100 0.263 0.000 0.780 955 P CB 0.611 32.518 31.700 0.345 0.000 0.789 956 L N 6.261 127.605 121.223 0.202 0.000 2.445 956 L HA 0.472 4.808 4.340 -0.006 0.000 0.262 956 L C -2.291 174.710 176.870 0.217 0.000 0.974 956 L CA -2.619 52.352 54.840 0.219 0.000 0.822 956 L CB 3.212 45.424 42.059 0.254 0.000 1.339 956 L HN 0.148 nan 8.230 nan 0.000 0.409 957 P HA 0.116 nan 4.420 nan 0.000 0.269 957 P C -0.702 176.739 177.300 0.234 0.000 1.215 957 P CA 0.103 63.275 63.100 0.119 0.000 0.780 957 P CB 0.975 32.619 31.700 -0.093 0.000 0.898 958 V N -0.259 119.765 119.914 0.183 0.000 3.548 958 V HA -0.210 3.907 4.120 -0.006 0.000 0.496 958 V C 0.535 176.762 176.094 0.222 0.000 0.682 958 V CA 0.064 62.499 62.300 0.225 0.000 2.033 958 V CB -1.563 30.453 31.823 0.321 0.000 2.463 958 V HN 0.869 nan 8.190 nan 0.000 0.506 959 N N 4.338 123.121 118.700 0.138 0.000 2.431 959 N HA 0.318 5.054 4.740 -0.006 0.000 0.265 959 N C 0.794 176.342 175.510 0.063 0.000 1.184 959 N CA 0.088 53.193 53.050 0.091 0.000 0.943 959 N CB 0.974 39.497 38.487 0.060 0.000 1.080 959 N HN 0.711 nan 8.380 nan 0.000 0.477 960 I N 2.854 123.452 120.570 0.047 0.000 3.265 960 I HA 0.021 4.187 4.170 -0.006 0.000 0.282 960 I C 2.347 178.447 176.117 -0.028 0.000 1.207 960 I CA -0.074 61.223 61.300 -0.005 0.000 1.449 960 I CB -0.040 37.947 38.000 -0.022 0.000 1.121 960 I HN 0.501 nan 8.210 nan 0.000 0.442 961 R N 1.785 122.289 120.500 0.006 0.000 2.083 961 R HA -0.117 4.219 4.340 -0.006 0.000 0.237 961 R C 2.293 178.590 176.300 -0.005 0.000 1.137 961 R CA 1.654 57.762 56.100 0.014 0.000 0.951 961 R CB -0.014 30.312 30.300 0.043 0.000 0.851 961 R HN 0.272 nan 8.270 nan 0.000 0.434 962 R N -0.252 120.254 120.500 0.009 0.000 2.161 962 R HA 0.036 4.372 4.340 -0.006 0.000 0.213 962 R C 2.255 178.560 176.300 0.007 0.000 1.055 962 R CA 0.644 56.754 56.100 0.016 0.000 0.996 962 R CB -0.110 30.218 30.300 0.047 0.000 0.901 962 R HN 0.290 nan 8.270 nan 0.000 0.456 963 I N 0.734 121.296 120.570 -0.015 0.000 2.614 963 I HA -0.198 3.968 4.170 -0.006 0.000 0.258 963 I C 1.601 177.713 176.117 -0.009 0.000 1.189 963 I CA 1.206 62.484 61.300 -0.037 0.000 1.462 963 I CB 0.250 38.187 38.000 -0.105 0.000 1.092 963 I HN 0.119 nan 8.210 nan 0.000 0.442 964 I N -0.799 119.723 120.570 -0.079 0.000 2.927 964 I HA -0.135 4.031 4.170 -0.006 0.000 0.268 964 I C 2.246 178.310 176.117 -0.088 0.000 1.153 964 I CA 0.361 61.578 61.300 -0.138 0.000 1.459 964 I CB -0.284 37.446 38.000 -0.451 0.000 1.149 964 I HN 0.108 nan 8.210 nan 0.000 0.443 965 Q N 1.010 120.740 119.800 -0.116 0.000 2.135 965 Q HA -0.208 4.128 4.340 -0.006 0.000 0.204 965 Q C 1.906 177.771 176.000 -0.225 0.000 0.981 965 Q CA 1.503 57.162 55.803 -0.240 0.000 0.856 965 Q CB -0.085 28.448 28.738 -0.342 0.000 0.902 965 Q HN 0.496 nan 8.270 nan 0.000 0.425 966 N N 0.249 118.926 118.700 -0.038 0.000 2.106 966 N HA -0.112 4.624 4.740 -0.006 0.000 0.188 966 N C 1.651 177.189 175.510 0.046 0.000 1.029 966 N CA 1.301 54.381 53.050 0.050 0.000 0.848 966 N CB -0.368 38.251 38.487 0.219 0.000 1.007 966 N HN 0.217 nan 8.380 nan 0.000 0.423 967 A N 1.384 124.330 122.820 0.209 0.000 1.978 967 A HA -0.191 4.125 4.320 -0.006 0.000 0.220 967 A C 2.116 179.786 177.584 0.144 0.000 1.170 967 A CA 1.329 53.508 52.037 0.237 0.000 0.636 967 A CB -0.551 18.680 19.000 0.386 0.000 0.810 967 A HN 0.383 nan 8.150 nan 0.000 0.448 968 Q N -1.045 118.784 119.800 0.049 0.000 2.167 968 Q HA -0.215 4.121 4.340 -0.006 0.000 0.202 968 Q C 2.096 178.100 176.000 0.006 0.000 0.970 968 Q CA 1.633 57.452 55.803 0.026 0.000 0.855 968 Q CB -0.079 28.680 28.738 0.035 0.000 0.911 968 Q HN 1.031 nan 8.270 nan 0.000 0.438 969 Q N -1.733 118.043 119.800 -0.040 0.000 2.280 969 Q HA 0.136 4.473 4.340 -0.006 0.000 0.228 969 Q C 1.320 177.095 176.000 -0.375 0.000 0.857 969 Q CA 0.444 56.196 55.803 -0.085 0.000 0.939 969 Q CB 0.278 29.038 28.738 0.037 0.000 1.114 969 Q HN -0.031 nan 8.270 nan 0.000 0.514 970 T N 0.312 114.636 114.554 -0.384 0.000 2.904 970 T HA 0.037 4.383 4.350 -0.006 0.000 0.267 970 T C 0.649 174.799 174.700 -0.917 0.000 1.059 970 T CA 1.003 62.707 62.100 -0.661 0.000 1.137 970 T CB -0.133 68.269 68.868 -0.776 0.000 0.879 970 T HN 0.284 nan 8.240 nan 0.000 0.467 971 F N 0.190 119.835 119.950 -0.509 0.000 2.746 971 F HA 0.231 4.754 4.527 -0.006 0.000 0.297 971 F C 0.440 176.102 175.800 -0.229 0.000 1.113 971 F CA -0.386 57.409 58.000 -0.343 0.000 1.367 971 F CB -0.145 38.721 39.000 -0.223 0.000 1.111 971 F HN 0.172 nan 8.300 nan 0.000 0.590 972 H N 0.707 119.816 119.070 0.065 0.000 2.740 972 H HA -0.132 4.420 4.556 -0.006 0.000 0.327 972 H C -0.299 175.045 175.328 0.026 0.000 1.077 972 H CA 0.306 56.374 56.048 0.033 0.000 1.088 972 H CB -2.025 27.745 29.762 0.012 0.000 1.619 972 H HN 0.259 nan 8.280 nan 0.000 0.386 973 I N 2.834 123.441 120.570 0.061 0.000 2.354 973 I HA 0.114 4.281 4.170 -0.006 0.000 0.292 973 I C 0.821 176.862 176.117 -0.126 0.000 0.989 973 I CA -0.764 60.522 61.300 -0.022 0.000 1.188 973 I CB 1.408 39.373 38.000 -0.059 0.000 1.342 973 I HN 0.233 nan 8.210 nan 0.000 0.457 974 D N 4.627 124.974 120.400 -0.087 0.000 2.313 974 D HA 0.042 4.678 4.640 -0.006 0.000 0.247 974 D C 0.215 176.411 176.300 -0.172 0.000 1.094 974 D CA -0.196 53.752 54.000 -0.088 0.000 0.925 974 D CB 0.734 41.539 40.800 0.009 0.000 1.188 974 D HN 0.508 nan 8.370 nan 0.000 0.430 975 H N -0.018 119.078 119.070 0.042 0.000 2.660 975 H HA 0.116 4.668 4.556 -0.006 0.000 0.310 975 H C 0.629 175.968 175.328 0.019 0.000 1.080 975 H CA 0.351 56.419 56.048 0.033 0.000 1.145 975 H CB -0.086 29.698 29.762 0.036 0.000 1.432 975 H HN 0.622 nan 8.280 nan 0.000 0.542 976 T N -3.104 111.496 114.554 0.077 0.000 3.232 976 T HA 0.112 4.458 4.350 -0.006 0.000 0.259 976 T C 0.848 175.560 174.700 0.021 0.000 0.987 976 T CA -0.353 61.777 62.100 0.049 0.000 1.096 976 T CB 0.832 69.727 68.868 0.045 0.000 1.131 976 T HN -0.022 nan 8.240 nan 0.000 0.445 977 K N 3.554 123.960 120.400 0.010 0.000 2.350 977 K HA 0.365 4.681 4.320 -0.006 0.000 0.279 977 K C -2.335 174.259 176.600 -0.010 0.000 1.027 977 K CA -1.663 54.623 56.287 -0.001 0.000 0.969 977 K CB 0.561 33.059 32.500 -0.002 0.000 0.954 977 K HN 0.349 nan 8.250 nan 0.000 0.474 978 P HA -0.002 nan 4.420 nan 0.000 0.273 978 P C -0.257 177.026 177.300 -0.028 0.000 1.250 978 P CA -0.358 62.730 63.100 -0.020 0.000 0.793 978 P CB 0.964 32.652 31.700 -0.021 0.000 1.011 979 S N -0.330 115.349 115.700 -0.036 0.000 2.686 979 S HA 0.234 4.700 4.470 -0.006 0.000 0.270 979 S C 0.538 175.108 174.600 -0.051 0.000 1.194 979 S CA -0.319 57.853 58.200 -0.047 0.000 0.990 979 S CB 0.067 63.234 63.200 -0.056 0.000 1.029 979 S HN 0.599 nan 8.310 nan 0.000 0.560 980 D N 0.479 120.843 120.400 -0.060 0.000 2.503 980 D HA 0.130 4.766 4.640 -0.006 0.000 0.218 980 D C -0.072 176.182 176.300 -0.077 0.000 1.183 980 D CA -0.147 53.818 54.000 -0.058 0.000 0.827 980 D CB -0.549 40.224 40.800 -0.045 0.000 1.034 980 D HN 0.328 nan 8.370 nan 0.000 0.510 981 L N 2.111 123.269 121.223 -0.109 0.000 2.456 981 L HA 0.180 4.516 4.340 -0.006 0.000 0.277 981 L C 0.300 177.081 176.870 -0.148 0.000 1.124 981 L CA 0.124 54.865 54.840 -0.164 0.000 0.880 981 L CB 0.599 42.493 42.059 -0.275 0.000 1.192 981 L HN -0.134 nan 8.230 nan 0.000 0.463 982 T N 3.545 118.027 114.554 -0.121 0.000 2.900 982 T HA 0.120 4.466 4.350 -0.006 0.000 0.307 982 T C 1.739 176.370 174.700 -0.116 0.000 1.065 982 T CA -0.403 61.639 62.100 -0.096 0.000 1.105 982 T CB 1.140 69.968 68.868 -0.067 0.000 0.979 982 T HN 0.396 nan 8.240 nan 0.000 0.544 983 I N 0.890 121.408 120.570 -0.087 0.000 2.361 983 I HA -0.157 4.009 4.170 -0.006 0.000 0.251 983 I C 2.606 178.685 176.117 -0.064 0.000 1.133 983 I CA 1.292 62.545 61.300 -0.078 0.000 1.413 983 I CB -0.322 37.648 38.000 -0.051 0.000 1.073 983 I HN 0.673 nan 8.210 nan 0.000 0.424 984 K N 0.709 121.077 120.400 -0.052 0.000 2.211 984 K HA -0.183 4.134 4.320 -0.006 0.000 0.203 984 K C 1.410 177.987 176.600 -0.038 0.000 1.050 984 K CA 1.341 57.607 56.287 -0.035 0.000 0.945 984 K CB 0.094 32.578 32.500 -0.027 0.000 0.732 984 K HN 0.286 nan 8.250 nan 0.000 0.451 985 D N 0.331 120.688 120.400 -0.072 0.000 2.137 985 D HA -0.069 4.568 4.640 -0.006 0.000 0.202 985 D C 1.879 178.113 176.300 -0.109 0.000 0.970 985 D CA 0.948 54.900 54.000 -0.080 0.000 0.837 985 D CB -0.004 40.724 40.800 -0.121 0.000 0.981 985 D HN 0.232 nan 8.370 nan 0.000 0.475 986 I N 0.585 121.022 120.570 -0.221 0.000 2.162 986 I HA -0.185 3.982 4.170 -0.006 0.000 0.238 986 I C 2.408 178.536 176.117 0.019 0.000 1.076 986 I CA 0.655 61.786 61.300 -0.283 0.000 1.353 986 I CB -0.291 37.501 38.000 -0.347 0.000 1.063 986 I HN -0.158 nan 8.210 nan 0.000 0.408 987 V N 0.986 120.902 119.914 0.002 0.000 2.515 987 V HA -0.204 3.912 4.120 -0.006 0.000 0.250 987 V C 2.299 178.421 176.094 0.047 0.000 1.058 987 V CA 1.482 63.805 62.300 0.039 0.000 1.064 987 V CB -0.527 31.308 31.823 0.019 0.000 0.675 987 V HN 0.366 nan 8.190 nan 0.000 0.461 988 L N 0.363 121.609 121.223 0.039 0.000 2.131 988 L HA 0.065 4.401 4.340 -0.006 0.000 0.206 988 L C 2.636 179.545 176.870 0.065 0.000 1.087 988 L CA 1.340 56.203 54.840 0.039 0.000 0.767 988 L CB -0.952 41.122 42.059 0.024 0.000 0.917 988 L HN 0.445 nan 8.230 nan 0.000 0.441 989 G N -0.351 108.520 108.800 0.119 0.000 2.432 989 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.219 989 G HA3 -0.184 3.772 3.960 -0.006 0.000 0.219 989 G C 1.553 176.525 174.900 0.120 0.000 1.135 989 G CA 0.875 46.078 45.100 0.171 0.000 0.767 989 G HN 0.189 nan 8.290 nan 0.000 0.550 990 V N 0.409 120.403 119.914 0.133 0.000 2.379 990 V HA -0.073 4.043 4.120 -0.006 0.000 0.245 990 V C 2.619 178.718 176.094 0.008 0.000 1.044 990 V CA 2.080 64.414 62.300 0.057 0.000 1.036 990 V CB -0.304 31.569 31.823 0.082 0.000 0.664 990 V HN 0.369 nan 8.190 nan 0.000 0.453 991 K N -0.218 120.193 120.400 0.018 0.000 2.155 991 K HA -0.173 4.143 4.320 -0.006 0.000 0.203 991 K C 1.722 178.316 176.600 -0.010 0.000 1.052 991 K CA 1.435 57.719 56.287 -0.004 0.000 0.948 991 K CB -0.087 32.415 32.500 0.002 0.000 0.728 991 K HN 0.424 nan 8.250 nan 0.000 0.448 992 D N 0.680 121.082 120.400 0.003 0.000 2.183 992 D HA -0.131 4.505 4.640 -0.006 0.000 0.203 992 D C 1.704 177.993 176.300 -0.019 0.000 0.969 992 D CA 0.537 54.535 54.000 -0.003 0.000 0.842 992 D CB 0.028 40.836 40.800 0.012 0.000 0.957 992 D HN 0.120 nan 8.370 nan 0.000 0.484 993 L N 0.825 122.031 121.223 -0.028 0.000 2.093 993 L HA -0.129 4.208 4.340 -0.006 0.000 0.208 993 L C 2.021 178.846 176.870 -0.074 0.000 1.085 993 L CA 1.548 56.355 54.840 -0.055 0.000 0.755 993 L CB -0.284 41.731 42.059 -0.074 0.000 0.904 993 L HN -0.059 nan 8.230 nan 0.000 0.435 994 Q N -0.739 119.019 119.800 -0.071 0.000 2.291 994 Q HA -0.164 4.172 4.340 -0.006 0.000 0.206 994 Q C 1.526 177.482 176.000 -0.074 0.000 0.976 994 Q CA 1.108 56.860 55.803 -0.085 0.000 0.875 994 Q CB -0.022 28.672 28.738 -0.074 0.000 0.927 994 Q HN 0.540 nan 8.270 nan 0.000 0.450 995 E N 0.084 120.253 120.200 -0.052 0.000 2.481 995 E HA -0.028 4.318 4.350 -0.006 0.000 0.195 995 E C 0.614 177.194 176.600 -0.034 0.000 1.047 995 E CA 0.395 56.772 56.400 -0.037 0.000 0.867 995 E CB 0.221 29.907 29.700 -0.024 0.000 0.858 995 E HN 0.344 nan 8.360 nan 0.000 0.513 996 N N -0.164 118.507 118.700 -0.048 0.000 2.322 996 N HA 0.081 4.818 4.740 -0.006 0.000 0.181 996 N C 0.391 175.875 175.510 -0.044 0.000 1.088 996 N CA 0.093 53.121 53.050 -0.036 0.000 0.885 996 N CB 0.377 38.845 38.487 -0.032 0.000 1.013 996 N HN 0.025 nan 8.380 nan 0.000 0.472 997 L N 1.572 122.717 121.223 -0.130 0.000 2.416 997 L HA 0.206 4.542 4.340 -0.006 0.000 0.243 997 L C -0.675 176.189 176.870 -0.010 0.000 1.373 997 L CA -0.218 54.452 54.840 -0.284 0.000 1.227 997 L CB -0.634 40.962 42.059 -0.772 0.000 1.428 997 L HN -0.033 nan 8.230 nan 0.000 0.425 998 L N 0.840 122.133 121.223 0.116 0.000 2.290 998 L HA 0.165 4.501 4.340 -0.006 0.000 0.284 998 L C 1.005 177.979 176.870 0.173 0.000 1.078 998 L CA 0.212 55.123 54.840 0.118 0.000 0.815 998 L CB 1.579 43.673 42.059 0.058 0.000 1.162 998 L HN 0.129 nan 8.230 nan 0.000 0.435 999 V N 3.348 123.346 119.914 0.140 0.000 2.521 999 V HA 0.121 4.238 4.120 -0.006 0.000 0.239 999 V C 0.421 176.530 176.094 0.026 0.000 1.053 999 V CA 0.422 62.759 62.300 0.061 0.000 1.073 999 V CB -0.012 31.849 31.823 0.063 0.000 0.746 999 V HN 0.471 nan 8.190 nan 0.000 0.476 1000 L N 1.698 122.945 121.223 0.040 0.000 2.280 1000 L HA 0.522 4.858 4.340 -0.006 0.000 0.287 1000 L C -0.148 176.743 176.870 0.034 0.000 1.023 1000 L CA -0.583 54.279 54.840 0.037 0.000 0.819 1000 L CB 0.961 43.045 42.059 0.042 0.000 1.212 1000 L HN 0.071 nan 8.230 nan 0.000 0.420 1001 R N 2.865 123.385 120.500 0.032 0.000 2.345 1001 R HA 0.270 4.606 4.340 -0.006 0.000 0.331 1001 R C 0.353 176.669 176.300 0.025 0.000 1.067 1001 R CA -0.076 56.040 56.100 0.027 0.000 0.962 1001 R CB 0.589 30.903 30.300 0.024 0.000 0.987 1001 R HN 0.847 nan 8.270 nan 0.000 0.451 1002 G N 1.024 109.836 108.800 0.020 0.000 2.511 1002 G HA2 0.345 4.302 3.960 -0.006 0.000 0.316 1002 G HA3 0.345 4.302 3.960 -0.006 0.000 0.316 1002 G C 0.377 175.285 174.900 0.012 0.000 1.210 1002 G CA -0.231 44.879 45.100 0.017 0.000 0.969 1002 G HN 0.430 nan 8.290 nan 0.000 0.492 1003 K N -1.448 118.959 120.400 0.010 0.000 2.705 1003 K HA 0.073 4.389 4.320 -0.006 0.000 0.197 1003 K C 0.914 177.517 176.600 0.005 0.000 1.624 1003 K CA 0.177 56.468 56.287 0.007 0.000 1.197 1003 K CB 0.174 32.679 32.500 0.009 0.000 1.603 1003 K HN 0.612 nan 8.250 nan 0.000 0.597 1004 N N -0.131 118.572 118.700 0.004 0.000 2.867 1004 N HA 0.057 4.793 4.740 -0.006 0.000 0.326 1004 N C 0.902 176.411 175.510 -0.002 0.000 1.355 1004 N CA -0.031 53.020 53.050 0.001 0.000 0.830 1004 N CB 0.343 38.831 38.487 0.002 0.000 1.152 1004 N HN -0.054 nan 8.380 nan 0.000 0.569 1005 E N 0.195 120.392 120.200 -0.006 0.000 2.021 1005 E HA 0.086 4.432 4.350 -0.006 0.000 0.189 1005 E C 1.925 178.517 176.600 -0.014 0.000 0.980 1005 E CA 1.074 57.468 56.400 -0.010 0.000 0.803 1005 E CB -0.425 29.268 29.700 -0.012 0.000 0.766 1005 E HN 0.592 nan 8.360 nan 0.000 0.449 1006 I N 0.636 121.196 120.570 -0.016 0.000 2.127 1006 I HA -0.296 3.871 4.170 -0.006 0.000 0.241 1006 I C 2.399 178.502 176.117 -0.022 0.000 1.075 1006 I CA 1.388 62.672 61.300 -0.026 0.000 1.334 1006 I CB -0.374 37.608 38.000 -0.030 0.000 1.040 1006 I HN 0.206 nan 8.210 nan 0.000 0.405 1007 I N -0.090 120.476 120.570 -0.008 0.000 2.226 1007 I HA -0.268 3.899 4.170 -0.006 0.000 0.245 1007 I C 2.597 178.716 176.117 0.002 0.000 1.100 1007 I CA 1.163 62.465 61.300 0.003 0.000 1.374 1007 I CB -0.496 37.513 38.000 0.016 0.000 1.057 1007 I HN 0.324 nan 8.210 nan 0.000 0.413 1008 Q N 0.349 120.148 119.800 -0.001 0.000 2.224 1008 Q HA -0.153 4.183 4.340 -0.006 0.000 0.203 1008 Q C 1.914 177.909 176.000 -0.009 0.000 0.970 1008 Q CA 1.016 56.818 55.803 -0.003 0.000 0.865 1008 Q CB -0.358 28.378 28.738 -0.004 0.000 0.922 1008 Q HN 0.492 nan 8.270 nan 0.000 0.445 1009 N N 0.415 119.106 118.700 -0.015 0.000 2.300 1009 N HA -0.049 4.688 4.740 -0.006 0.000 0.179 1009 N C 1.417 176.913 175.510 -0.023 0.000 1.016 1009 N CA 1.053 54.091 53.050 -0.021 0.000 0.876 1009 N CB 0.164 38.634 38.487 -0.027 0.000 0.979 1009 N HN 0.176 nan 8.380 nan 0.000 0.432 1010 A N 0.269 123.075 122.820 -0.024 0.000 2.016 1010 A HA -0.089 4.227 4.320 -0.006 0.000 0.217 1010 A C 2.091 179.674 177.584 -0.001 0.000 1.162 1010 A CA 1.101 53.125 52.037 -0.022 0.000 0.662 1010 A CB -0.415 18.568 19.000 -0.029 0.000 0.812 1010 A HN 0.342 nan 8.150 nan 0.000 0.450 1011 Q N 0.572 120.375 119.800 0.005 0.000 2.084 1011 Q HA -0.160 4.176 4.340 -0.006 0.000 0.202 1011 Q C 2.070 178.076 176.000 0.011 0.000 0.978 1011 Q CA 2.055 57.867 55.803 0.016 0.000 0.844 1011 Q CB -0.365 28.382 28.738 0.014 0.000 0.898 1011 Q HN 0.641 nan 8.270 nan 0.000 0.426 1012 R N 0.138 120.635 120.500 -0.006 0.000 2.083 1012 R HA -0.145 4.191 4.340 -0.006 0.000 0.237 1012 R C 1.839 178.130 176.300 -0.014 0.000 1.137 1012 R CA 1.588 57.677 56.100 -0.019 0.000 0.951 1012 R CB -0.363 29.920 30.300 -0.029 0.000 0.851 1012 R HN 0.468 nan 8.270 nan 0.000 0.434 1013 D N 0.288 120.685 120.400 -0.005 0.000 2.178 1013 D HA -0.096 4.540 4.640 -0.006 0.000 0.202 1013 D C 1.707 178.018 176.300 0.017 0.000 0.974 1013 D CA 1.254 55.257 54.000 0.005 0.000 0.841 1013 D CB -0.112 40.687 40.800 -0.002 0.000 0.953 1013 D HN 0.262 nan 8.370 nan 0.000 0.478 1014 A N 0.493 123.328 122.820 0.026 0.000 2.014 1014 A HA -0.046 4.270 4.320 -0.006 0.000 0.218 1014 A C 2.250 179.882 177.584 0.080 0.000 1.163 1014 A CA 0.887 52.950 52.037 0.044 0.000 0.652 1014 A CB -0.048 18.980 19.000 0.048 0.000 0.808 1014 A HN 0.181 nan 8.150 nan 0.000 0.449 1015 V N -1.356 118.609 119.914 0.086 0.000 3.661 1015 V HA -0.048 4.068 4.120 -0.006 0.000 0.271 1015 V C 2.178 178.336 176.094 0.107 0.000 1.315 1015 V CA 1.182 63.565 62.300 0.137 0.000 1.072 1015 V CB -0.701 31.176 31.823 0.090 0.000 0.830 1015 V HN 0.471 nan 8.190 nan 0.000 0.443 1016 T N 1.801 116.373 114.554 0.030 0.000 2.624 1016 T HA -0.327 4.020 4.350 -0.006 0.000 0.266 1016 T C 1.885 176.573 174.700 -0.020 0.000 1.050 1016 T CA 2.553 64.625 62.100 -0.046 0.000 1.163 1016 T CB -0.384 68.436 68.868 -0.080 0.000 0.861 1016 T HN 0.342 nan 8.240 nan 0.000 0.443 1017 L N 0.206 121.467 121.223 0.063 0.000 2.093 1017 L HA 0.104 4.440 4.340 -0.006 0.000 0.208 1017 L C 2.043 178.991 176.870 0.130 0.000 1.085 1017 L CA 1.500 56.401 54.840 0.102 0.000 0.755 1017 L CB -0.826 41.308 42.059 0.126 0.000 0.904 1017 L HN 0.276 nan 8.230 nan 0.000 0.435 1018 F N -0.573 119.397 119.950 0.034 0.000 2.171 1018 F HA -0.235 4.288 4.527 -0.006 0.000 0.300 1018 F C 2.414 178.199 175.800 -0.024 0.000 1.090 1018 F CA 1.634 59.658 58.000 0.040 0.000 1.293 1018 F CB -0.658 38.406 39.000 0.106 0.000 1.013 1018 F HN 0.172 nan 8.300 nan 0.000 0.486 1019 C N -0.505 118.744 119.300 -0.085 0.000 2.425 1019 C HA -0.180 4.276 4.460 -0.006 0.000 0.277 1019 C C 3.047 177.919 174.990 -0.196 0.000 1.280 1019 C CA 0.981 59.883 59.018 -0.194 0.000 1.744 1019 C CB -1.865 25.806 27.740 -0.115 0.000 1.989 1019 C HN 0.684 nan 8.230 nan 0.000 0.491 1020 C N 0.134 119.354 119.300 -0.134 0.000 2.425 1020 C HA -0.102 4.354 4.460 -0.006 0.000 0.277 1020 C C 2.564 177.499 174.990 -0.091 0.000 1.280 1020 C CA 0.973 59.931 59.018 -0.099 0.000 1.744 1020 C CB -1.496 26.218 27.740 -0.042 0.000 1.989 1020 C HN 0.651 nan 8.230 nan 0.000 0.491 1021 L N 0.249 121.400 121.223 -0.121 0.000 2.109 1021 L HA 0.004 4.341 4.340 -0.006 0.000 0.207 1021 L C 2.175 178.931 176.870 -0.190 0.000 1.086 1021 L CA 1.464 56.232 54.840 -0.120 0.000 0.760 1021 L CB -0.699 41.296 42.059 -0.108 0.000 0.910 1021 L HN 0.242 nan 8.230 nan 0.000 0.437 1022 L N -0.457 120.556 121.223 -0.350 0.000 2.056 1022 L HA -0.147 4.189 4.340 -0.006 0.000 0.207 1022 L C 2.639 179.424 176.870 -0.141 0.000 1.078 1022 L CA 1.661 56.300 54.840 -0.336 0.000 0.749 1022 L CB -0.448 41.319 42.059 -0.486 0.000 0.901 1022 L HN 0.200 nan 8.230 nan 0.000 0.433 1023 R N -1.578 118.856 120.500 -0.110 0.000 2.148 1023 R HA -0.066 4.270 4.340 -0.006 0.000 0.223 1023 R C 2.436 178.758 176.300 0.036 0.000 1.088 1023 R CA 1.081 57.162 56.100 -0.031 0.000 0.985 1023 R CB -0.462 29.805 30.300 -0.055 0.000 0.880 1023 R HN 0.356 nan 8.270 nan 0.000 0.451 1024 S N 0.281 115.994 115.700 0.022 0.000 2.423 1024 S HA -0.039 4.427 4.470 -0.006 0.000 0.231 1024 S C 1.715 176.464 174.600 0.249 0.000 1.014 1024 S CA 0.954 59.219 58.200 0.107 0.000 0.965 1024 S CB 0.131 63.369 63.200 0.063 0.000 0.785 1024 S HN 0.211 nan 8.310 nan 0.000 0.495 1025 R N -0.026 120.570 120.500 0.161 0.000 2.195 1025 R HA 0.329 4.665 4.340 -0.006 0.000 0.197 1025 R C 0.770 177.226 176.300 0.260 0.000 0.990 1025 R CA 0.290 56.520 56.100 0.215 0.000 1.048 1025 R CB -0.397 29.986 30.300 0.139 0.000 0.997 1025 R HN 0.362 nan 8.270 nan 0.000 0.502 1026 L N 1.857 123.181 121.223 0.169 0.000 3.036 1026 L HA 0.370 4.707 4.340 -0.006 0.000 0.237 1026 L C 0.178 177.166 176.870 0.197 0.000 1.319 1026 L CA -0.522 54.435 54.840 0.196 0.000 1.112 1026 L CB 0.533 42.653 42.059 0.102 0.000 1.480 1026 L HN -0.045 nan 8.230 nan 0.000 0.506 1027 A N -0.688 122.255 122.820 0.204 0.000 2.302 1027 A HA 0.415 4.731 4.320 -0.006 0.000 0.285 1027 A C 1.383 179.038 177.584 0.117 0.000 1.105 1027 A CA -0.244 51.904 52.037 0.185 0.000 0.816 1027 A CB 0.585 19.774 19.000 0.316 0.000 1.067 1027 A HN 0.356 nan 8.150 nan 0.000 0.489 1028 T N 1.376 115.979 114.554 0.081 0.000 2.665 1028 T HA -0.174 4.172 4.350 -0.006 0.000 0.268 1028 T C 2.006 176.692 174.700 -0.022 0.000 1.035 1028 T CA 1.676 63.789 62.100 0.022 0.000 1.151 1028 T CB -0.206 68.666 68.868 0.006 0.000 0.862 1028 T HN 0.594 nan 8.240 nan 0.000 0.438 1029 R N 0.575 121.044 120.500 -0.053 0.000 2.081 1029 R HA 0.080 4.416 4.340 -0.006 0.000 0.235 1029 R C 2.639 178.829 176.300 -0.183 0.000 1.131 1029 R CA 1.231 57.254 56.100 -0.128 0.000 0.960 1029 R CB -0.459 29.732 30.300 -0.182 0.000 0.856 1029 R HN 0.237 nan 8.270 nan 0.000 0.436 1030 R N 0.354 120.730 120.500 -0.206 0.000 2.081 1030 R HA -0.063 4.274 4.340 -0.006 0.000 0.235 1030 R C 2.197 178.320 176.300 -0.294 0.000 1.131 1030 R CA 1.130 57.040 56.100 -0.317 0.000 0.960 1030 R CB -0.513 29.664 30.300 -0.205 0.000 0.856 1030 R HN 0.000 nan 8.270 nan 0.000 0.436 1031 V N 0.246 120.179 119.914 0.032 0.000 2.358 1031 V HA -0.191 3.925 4.120 -0.006 0.000 0.246 1031 V C 1.999 178.169 176.094 0.126 0.000 1.047 1031 V CA 1.742 64.198 62.300 0.259 0.000 1.035 1031 V CB -0.308 31.673 31.823 0.263 0.000 0.658 1031 V HN 0.296 nan 8.190 nan 0.000 0.452 1032 L N -1.365 119.857 121.223 -0.001 0.000 2.463 1032 L HA 0.068 4.404 4.340 -0.006 0.000 0.219 1032 L C 2.321 179.165 176.870 -0.043 0.000 1.088 1032 L CA 0.768 55.596 54.840 -0.020 0.000 0.849 1032 L CB -0.120 41.910 42.059 -0.047 0.000 1.012 1032 L HN 0.295 nan 8.230 nan 0.000 0.468 1033 Q N -0.097 119.643 119.800 -0.099 0.000 2.274 1033 Q HA -0.048 4.288 4.340 -0.006 0.000 0.198 1033 Q C 1.898 177.821 176.000 -0.128 0.000 0.955 1033 Q CA 0.540 56.277 55.803 -0.110 0.000 0.859 1033 Q CB 0.455 29.108 28.738 -0.142 0.000 0.956 1033 Q HN 0.371 nan 8.270 nan 0.000 0.516 1034 E N -0.559 119.482 120.200 -0.263 0.000 2.051 1034 E HA -0.071 4.275 4.350 -0.006 0.000 0.189 1034 E C -0.146 176.344 176.600 -0.183 0.000 0.979 1034 E CA 0.636 56.847 56.400 -0.316 0.000 0.803 1034 E CB 0.203 29.571 29.700 -0.554 0.000 0.761 1034 E HN 0.199 nan 8.360 nan 0.000 0.451 1035 Y N -0.713 119.614 120.300 0.045 0.000 2.480 1035 Y HA 0.416 4.962 4.550 -0.006 0.000 0.323 1035 Y C 0.801 176.731 175.900 0.051 0.000 1.267 1035 Y CA -0.901 57.240 58.100 0.068 0.000 1.336 1035 Y CB 0.629 39.128 38.460 0.065 0.000 1.361 1035 Y HN -0.293 nan 8.280 nan 0.000 0.518 1036 R N 1.295 121.915 120.500 0.200 0.000 2.782 1036 R HA 0.313 4.649 4.340 -0.006 0.000 0.293 1036 R C -1.585 174.738 176.300 0.037 0.000 1.333 1036 R CA -0.417 55.724 56.100 0.069 0.000 1.479 1036 R CB -0.127 30.155 30.300 -0.029 0.000 1.306 1036 R HN 0.589 nan 8.270 nan 0.000 0.654 1037 L N 1.114 122.391 121.223 0.089 0.000 2.397 1037 L HA 0.203 4.540 4.340 -0.006 0.000 0.271 1037 L C 1.400 178.264 176.870 -0.011 0.000 1.148 1037 L CA 0.363 55.237 54.840 0.056 0.000 0.825 1037 L CB 0.776 42.949 42.059 0.190 0.000 1.117 1037 L HN 0.261 nan 8.230 nan 0.000 0.456 1038 T N -1.563 112.943 114.554 -0.080 0.000 2.884 1038 T HA 0.273 4.619 4.350 -0.006 0.000 0.277 1038 T C 0.949 175.605 174.700 -0.073 0.000 0.976 1038 T CA -0.813 61.227 62.100 -0.100 0.000 0.956 1038 T CB 1.100 69.882 68.868 -0.142 0.000 1.113 1038 T HN 0.572 nan 8.240 nan 0.000 0.554 1039 K N -0.239 120.122 120.400 -0.065 0.000 2.057 1039 K HA -0.183 4.133 4.320 -0.006 0.000 0.207 1039 K C 2.359 178.963 176.600 0.007 0.000 1.049 1039 K CA 1.433 57.714 56.287 -0.011 0.000 0.931 1039 K CB -0.181 32.306 32.500 -0.021 0.000 0.714 1039 K HN 0.737 nan 8.250 nan 0.000 0.440 1040 Q N -0.428 119.314 119.800 -0.096 0.000 2.119 1040 Q HA -0.115 4.221 4.340 -0.006 0.000 0.201 1040 Q C 1.815 177.644 176.000 -0.285 0.000 0.972 1040 Q CA 1.316 57.038 55.803 -0.134 0.000 0.847 1040 Q CB -0.046 28.598 28.738 -0.157 0.000 0.903 1040 Q HN 0.415 nan 8.270 nan 0.000 0.433 1041 A N -0.154 122.338 122.820 -0.548 0.000 1.929 1041 A HA -0.137 4.180 4.320 -0.006 0.000 0.216 1041 A C 1.756 179.357 177.584 0.030 0.000 1.176 1041 A CA 0.793 52.516 52.037 -0.523 0.000 0.628 1041 A CB -0.719 17.945 19.000 -0.561 0.000 0.816 1041 A HN 0.539 nan 8.150 nan 0.000 0.444 1042 F N 1.139 121.041 119.950 -0.079 0.000 2.113 1042 F HA -0.135 4.388 4.527 -0.006 0.000 0.297 1042 F C 1.690 177.506 175.800 0.027 0.000 1.103 1042 F CA 1.984 59.977 58.000 -0.012 0.000 1.248 1042 F CB -0.023 38.962 39.000 -0.025 0.000 0.999 1042 F HN 0.224 nan 8.300 nan 0.000 0.475 1043 D N -1.185 119.323 120.400 0.180 0.000 2.264 1043 D HA -0.203 4.434 4.640 -0.006 0.000 0.208 1043 D C 1.744 178.107 176.300 0.106 0.000 0.966 1043 D CA 0.853 54.919 54.000 0.110 0.000 0.864 1043 D CB -0.553 40.331 40.800 0.139 0.000 0.933 1043 D HN 0.502 nan 8.370 nan 0.000 0.499 1044 W N 1.195 122.483 121.300 -0.020 0.000 2.443 1044 W HA -0.099 4.557 4.660 -0.007 0.000 0.296 1044 W C 1.998 178.501 176.519 -0.027 0.000 1.202 1044 W CA 0.636 58.000 57.345 0.031 0.000 1.312 1044 W CB -0.290 29.272 29.460 0.170 0.000 1.120 1044 W HN -0.287 nan 8.180 nan 0.000 0.536 1045 V N 1.339 121.222 119.914 -0.052 0.000 2.295 1045 V HA -0.327 3.789 4.120 -0.006 0.000 0.246 1045 V C 2.339 178.220 176.094 -0.355 0.000 1.049 1045 V CA 2.080 64.209 62.300 -0.286 0.000 1.024 1045 V CB -1.022 30.670 31.823 -0.218 0.000 0.648 1045 V HN 0.201 nan 8.190 nan 0.000 0.447 1046 L N -0.284 120.730 121.223 -0.349 0.000 2.017 1046 L HA -0.169 4.168 4.340 -0.006 0.000 0.208 1046 L C 2.595 179.344 176.870 -0.201 0.000 1.073 1046 L CA 1.866 56.535 54.840 -0.285 0.000 0.745 1046 L CB -0.731 41.169 42.059 -0.264 0.000 0.894 1046 L HN 0.285 nan 8.230 nan 0.000 0.432 1047 S N -0.463 115.126 115.700 -0.185 0.000 2.419 1047 S HA -0.130 4.336 4.470 -0.006 0.000 0.233 1047 S C 1.678 176.150 174.600 -0.214 0.000 1.016 1047 S CA 1.052 59.162 58.200 -0.151 0.000 0.974 1047 S CB -0.332 62.813 63.200 -0.092 0.000 0.786 1047 S HN 0.444 nan 8.310 nan 0.000 0.492 1048 N N 0.765 119.244 118.700 -0.368 0.000 2.336 1048 N HA 0.167 4.903 4.740 -0.006 0.000 0.177 1048 N C 1.639 177.019 175.510 -0.216 0.000 1.018 1048 N CA 0.643 53.460 53.050 -0.388 0.000 0.878 1048 N CB -0.037 38.005 38.487 -0.741 0.000 0.997 1048 N HN 0.327 nan 8.380 nan 0.000 0.433 1049 I N 1.650 122.109 120.570 -0.184 0.000 2.226 1049 I HA -0.233 3.933 4.170 -0.006 0.000 0.245 1049 I C 2.596 178.730 176.117 0.028 0.000 1.100 1049 I CA 1.125 62.398 61.300 -0.045 0.000 1.374 1049 I CB -0.164 37.803 38.000 -0.054 0.000 1.057 1049 I HN 0.206 nan 8.210 nan 0.000 0.413 1050 E N 1.233 121.416 120.200 -0.029 0.000 2.051 1050 E HA -0.255 4.092 4.350 -0.006 0.000 0.192 1050 E C 2.258 178.879 176.600 0.035 0.000 0.991 1050 E CA 1.456 57.856 56.400 0.001 0.000 0.799 1050 E CB -0.005 29.673 29.700 -0.036 0.000 0.748 1050 E HN 0.485 nan 8.360 nan 0.000 0.449 1051 A N 0.736 123.547 122.820 -0.015 0.000 1.898 1051 A HA -0.186 4.130 4.320 -0.006 0.000 0.216 1051 A C 2.048 179.625 177.584 -0.010 0.000 1.181 1051 A CA 1.349 53.376 52.037 -0.017 0.000 0.620 1051 A CB -0.409 18.564 19.000 -0.046 0.000 0.819 1051 A HN 0.308 nan 8.150 nan 0.000 0.442 1052 Q N -2.069 117.728 119.800 -0.004 0.000 2.230 1052 Q HA -0.083 4.253 4.340 -0.006 0.000 0.202 1052 Q C 1.779 177.764 176.000 -0.025 0.000 0.963 1052 Q CA 1.188 56.990 55.803 -0.003 0.000 0.866 1052 Q CB -0.193 28.558 28.738 0.022 0.000 0.931 1052 Q HN 0.753 nan 8.270 nan 0.000 0.452 1053 F N 0.860 120.723 119.950 -0.145 0.000 2.146 1053 F HA -0.135 4.389 4.527 -0.006 0.000 0.298 1053 F C 1.635 177.297 175.800 -0.230 0.000 1.096 1053 F CA 1.057 58.908 58.000 -0.248 0.000 1.275 1053 F CB 0.071 38.903 39.000 -0.280 0.000 1.008 1053 F HN -0.041 nan 8.300 nan 0.000 0.480 1054 L N -0.196 120.995 121.223 -0.053 0.000 2.275 1054 L HA -0.115 4.221 4.340 -0.006 0.000 0.215 1054 L C 2.387 179.115 176.870 -0.237 0.000 1.119 1054 L CA 0.886 55.647 54.840 -0.131 0.000 0.790 1054 L CB -0.486 41.557 42.059 -0.027 0.000 0.919 1054 L HN 0.044 nan 8.230 nan 0.000 0.443 1055 R N -1.058 119.298 120.500 -0.240 0.000 2.127 1055 R HA 0.033 4.369 4.340 -0.006 0.000 0.217 1055 R C 2.155 178.090 176.300 -0.608 0.000 1.074 1055 R CA 0.806 56.723 56.100 -0.304 0.000 0.991 1055 R CB -0.077 30.105 30.300 -0.196 0.000 0.895 1055 R HN 0.187 nan 8.270 nan 0.000 0.450 1056 S N 0.652 115.995 115.700 -0.594 0.000 2.607 1056 S HA 0.010 4.476 4.470 -0.006 0.000 0.224 1056 S C 0.787 175.064 174.600 -0.537 0.000 0.969 1056 S CA 0.015 57.853 58.200 -0.603 0.000 0.927 1056 S CB 0.120 63.051 63.200 -0.448 0.000 0.772 1056 S HN 0.033 nan 8.310 nan 0.000 0.533 1057 V N 2.031 121.602 119.914 -0.571 0.000 3.051 1057 V HA 0.182 4.298 4.120 -0.006 0.000 0.306 1057 V C 0.154 176.026 176.094 -0.370 0.000 1.083 1057 V CA -0.289 61.727 62.300 -0.473 0.000 1.104 1057 V CB 1.353 32.909 31.823 -0.444 0.000 1.027 1057 V HN 0.087 nan 8.190 nan 0.000 0.483 1058 V N 6.003 125.786 119.914 -0.218 0.000 2.508 1058 V HA 0.194 4.310 4.120 -0.006 0.000 0.281 1058 V C 0.295 176.274 176.094 -0.191 0.000 1.041 1058 V CA -0.400 61.846 62.300 -0.090 0.000 1.016 1058 V CB 0.515 32.392 31.823 0.090 0.000 0.984 1058 V HN 0.824 nan 8.190 nan 0.000 0.478 1059 H N 5.826 124.863 119.070 -0.055 0.000 2.800 1059 H HA 0.188 4.740 4.556 -0.006 0.000 0.291 1059 H C -2.221 173.029 175.328 -0.129 0.000 1.076 1059 H CA -1.947 54.056 56.048 -0.076 0.000 1.452 1059 H CB 0.886 30.617 29.762 -0.051 0.000 1.461 1059 H HN 0.454 nan 8.280 nan 0.000 0.488 1060 P HA 0.011 nan 4.420 nan 0.000 0.258 1060 P C 0.935 178.004 177.300 -0.385 0.000 1.214 1060 P CA 0.773 63.664 63.100 -0.350 0.000 0.872 1060 P CB 0.325 31.640 31.700 -0.642 0.000 0.890 1061 G N 2.393 111.037 108.800 -0.260 0.000 3.511 1061 G HA2 -0.132 3.824 3.960 -0.006 0.000 0.218 1061 G HA3 -0.132 3.824 3.960 -0.006 0.000 0.218 1061 G C -0.028 174.796 174.900 -0.126 0.000 1.001 1061 G CA -0.466 44.530 45.100 -0.174 0.000 0.877 1061 G HN 0.385 nan 8.290 nan 0.000 0.450 1062 E N 2.584 122.720 120.200 -0.106 0.000 2.603 1062 E HA 0.070 4.416 4.350 -0.006 0.000 0.242 1062 E C 0.488 176.997 176.600 -0.152 0.000 1.083 1062 E CA 0.383 56.720 56.400 -0.104 0.000 0.950 1062 E CB 0.181 29.826 29.700 -0.091 0.000 0.952 1062 E HN 0.227 nan 8.360 nan 0.000 0.498 1063 M N 4.558 124.088 119.600 -0.116 0.000 2.760 1063 M HA -0.021 4.455 4.480 -0.006 0.000 0.314 1063 M C 1.247 177.469 176.300 -0.129 0.000 1.582 1063 M CA 0.051 55.283 55.300 -0.113 0.000 1.484 1063 M CB -0.224 32.329 32.600 -0.079 0.000 1.621 1063 M HN 0.210 nan 8.290 nan 0.000 0.470 1064 V N 3.099 122.891 119.914 -0.204 0.000 2.379 1064 V HA -0.148 3.968 4.120 -0.006 0.000 0.245 1064 V C 2.318 178.350 176.094 -0.102 0.000 1.044 1064 V CA 2.326 64.479 62.300 -0.245 0.000 1.036 1064 V CB -0.965 30.514 31.823 -0.573 0.000 0.664 1064 V HN 0.957 nan 8.190 nan 0.000 0.453 1065 G N 0.331 109.072 108.800 -0.098 0.000 2.529 1065 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.219 1065 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.219 1065 G C 1.656 176.520 174.900 -0.060 0.000 1.177 1065 G CA 1.604 46.662 45.100 -0.070 0.000 0.773 1065 G HN 0.396 nan 8.290 nan 0.000 0.573 1066 V N 0.846 120.723 119.914 -0.062 0.000 2.427 1066 V HA -0.061 4.055 4.120 -0.006 0.000 0.248 1066 V C 2.692 178.754 176.094 -0.053 0.000 1.051 1066 V CA 1.126 63.392 62.300 -0.057 0.000 1.048 1066 V CB -0.437 31.355 31.823 -0.051 0.000 0.666 1066 V HN 0.280 nan 8.190 nan 0.000 0.456 1067 L N 0.310 121.509 121.223 -0.040 0.000 2.093 1067 L HA -0.092 4.244 4.340 -0.006 0.000 0.208 1067 L C 2.513 179.347 176.870 -0.060 0.000 1.085 1067 L CA 2.380 57.203 54.840 -0.028 0.000 0.755 1067 L CB -1.021 41.052 42.059 0.022 0.000 0.904 1067 L HN 0.384 nan 8.230 nan 0.000 0.435 1068 A N -0.626 122.219 122.820 0.042 0.000 1.898 1068 A HA -0.019 4.298 4.320 -0.006 0.000 0.214 1068 A C 2.454 180.014 177.584 -0.041 0.000 1.183 1068 A CA 1.323 53.423 52.037 0.105 0.000 0.622 1068 A CB -0.546 18.575 19.000 0.202 0.000 0.824 1068 A HN 0.455 nan 8.150 nan 0.000 0.444 1069 A N -0.504 122.282 122.820 -0.057 0.000 1.902 1069 A HA -0.210 4.106 4.320 -0.006 0.000 0.217 1069 A C 2.095 179.618 177.584 -0.101 0.000 1.181 1069 A CA 1.656 53.645 52.037 -0.080 0.000 0.623 1069 A CB -0.565 18.384 19.000 -0.086 0.000 0.818 1069 A HN 0.624 nan 8.150 nan 0.000 0.443 1070 Q N -0.401 119.333 119.800 -0.110 0.000 2.297 1070 Q HA -0.035 4.301 4.340 -0.006 0.000 0.204 1070 Q C 2.004 177.908 176.000 -0.161 0.000 0.962 1070 Q CA 1.238 56.964 55.803 -0.129 0.000 0.879 1070 Q CB -0.043 28.637 28.738 -0.096 0.000 0.947 1070 Q HN 0.604 nan 8.270 nan 0.000 0.462 1071 S N 0.044 115.620 115.700 -0.206 0.000 2.522 1071 S HA 0.051 4.517 4.470 -0.006 0.000 0.227 1071 S C 1.579 176.084 174.600 -0.159 0.000 0.986 1071 S CA 0.618 58.660 58.200 -0.263 0.000 0.929 1071 S CB 0.182 62.959 63.200 -0.706 0.000 0.769 1071 S HN 0.304 nan 8.310 nan 0.000 0.529 1072 I N -0.260 120.238 120.570 -0.120 0.000 3.718 1072 I HA 0.186 4.352 4.170 -0.006 0.000 0.297 1072 I C 2.430 178.496 176.117 -0.085 0.000 1.220 1072 I CA 0.433 61.685 61.300 -0.079 0.000 1.381 1072 I CB -0.378 37.591 38.000 -0.052 0.000 1.238 1072 I HN 0.271 nan 8.210 nan 0.000 0.448 1073 G N 0.409 109.149 108.800 -0.100 0.000 2.448 1073 G HA2 -0.167 3.790 3.960 -0.006 0.000 0.218 1073 G HA3 -0.167 3.790 3.960 -0.006 0.000 0.218 1073 G C 1.520 176.348 174.900 -0.120 0.000 1.135 1073 G CA 0.347 45.388 45.100 -0.098 0.000 0.784 1073 G HN 0.189 nan 8.290 nan 0.000 0.543 1074 E N 0.948 121.046 120.200 -0.171 0.000 2.051 1074 E HA -0.036 4.310 4.350 -0.006 0.000 0.189 1074 E C -0.048 176.464 176.600 -0.147 0.000 0.979 1074 E CA 0.793 57.053 56.400 -0.234 0.000 0.803 1074 E CB -0.531 28.877 29.700 -0.487 0.000 0.761 1074 E HN 0.328 nan 8.360 nan 0.000 0.451 1075 P HA -0.026 nan 4.420 nan 0.000 0.230 1075 P C 0.810 178.081 177.300 -0.048 0.000 1.158 1075 P CA 1.039 64.108 63.100 -0.053 0.000 0.769 1075 P CB 0.011 31.689 31.700 -0.036 0.000 0.807 1076 A N -0.069 122.716 122.820 -0.058 0.000 2.016 1076 A HA -0.047 4.269 4.320 -0.006 0.000 0.217 1076 A C 2.122 179.684 177.584 -0.037 0.000 1.162 1076 A CA 1.618 53.629 52.037 -0.044 0.000 0.662 1076 A CB -1.460 17.513 19.000 -0.044 0.000 0.812 1076 A HN 0.183 nan 8.150 nan 0.000 0.450 1077 T N -0.075 114.449 114.554 -0.050 0.000 2.851 1077 T HA -0.104 4.242 4.350 -0.006 0.000 0.262 1077 T C 1.793 176.476 174.700 -0.029 0.000 1.043 1077 T CA 1.318 63.393 62.100 -0.042 0.000 1.140 1077 T CB -0.203 68.629 68.868 -0.060 0.000 0.872 1077 T HN 0.567 nan 8.240 nan 0.000 0.446 1078 Q N 0.239 120.022 119.800 -0.029 0.000 2.515 1078 Q HA 0.189 4.526 4.340 -0.006 0.000 0.212 1078 Q C 0.396 176.391 176.000 -0.008 0.000 0.970 1078 Q CA 0.251 56.046 55.803 -0.014 0.000 0.941 1078 Q CB -0.377 28.358 28.738 -0.006 0.000 0.998 1078 Q HN 0.538 nan 8.270 nan 0.000 0.518 1079 M N 1.749 121.342 119.600 -0.012 0.000 3.268 1079 M HA 0.026 4.502 4.480 -0.006 0.000 0.249 1079 M C -0.553 175.745 176.300 -0.003 0.000 1.527 1079 M CA 0.414 55.710 55.300 -0.007 0.000 1.645 1079 M CB 0.008 32.601 32.600 -0.011 0.000 1.193 1079 M HN -0.160 nan 8.290 nan 0.000 0.534 1080 T N 3.861 118.415 114.554 0.000 0.000 2.727 1080 T HA 0.603 4.949 4.350 -0.006 0.000 0.298 1080 T C 0.014 174.718 174.700 0.006 0.000 0.942 1080 T CA -0.244 61.858 62.100 0.002 0.000 0.997 1080 T CB 0.713 69.583 68.868 0.003 0.000 0.917 1080 T HN 0.427 nan 8.240 nan 0.000 0.487 1092 K N 0.551 120.981 120.400 0.051 0.000 2.438 1092 K HA 0.233 4.549 4.320 -0.006 0.000 0.206 1092 K C -0.248 176.374 176.600 0.037 0.000 1.081 1092 K CA -0.060 56.257 56.287 0.050 0.000 1.053 1092 K CB 0.222 32.748 32.500 0.045 0.000 0.908 1092 K HN 0.385 nan 8.250 nan 0.000 0.556 1093 K N 1.790 122.207 120.400 0.029 0.000 3.000 1093 K HA 0.123 4.439 4.320 -0.006 0.000 0.265 1093 K C -0.946 175.669 176.600 0.026 0.000 1.260 1093 K CA -0.002 56.298 56.287 0.022 0.000 1.209 1093 K CB 0.506 33.014 32.500 0.013 0.000 1.484 1093 K HN -0.116 nan 8.250 nan 0.000 0.283 1094 V N 0.911 120.844 119.914 0.032 0.000 2.638 1094 V HA 0.052 4.168 4.120 -0.006 0.000 0.306 1094 V C 0.058 176.173 176.094 0.034 0.000 1.052 1094 V CA -1.083 61.238 62.300 0.035 0.000 0.885 1094 V CB 2.021 33.871 31.823 0.046 0.000 0.999 1094 V HN 0.478 nan 8.190 nan 0.000 0.424 1095 T N 3.533 118.106 114.554 0.032 0.000 2.406 1095 T HA -0.104 4.242 4.350 -0.006 0.000 0.186 1095 T C 0.388 175.108 174.700 0.033 0.000 1.170 1095 T CA 0.993 63.112 62.100 0.032 0.000 3.679 1095 T CB -0.769 68.121 68.868 0.037 0.000 0.673 1095 T HN 0.952 nan 8.240 nan 0.000 0.243 1096 S N 2.230 117.946 115.700 0.026 0.000 2.478 1096 S HA 0.786 5.252 4.470 -0.006 0.000 0.312 1096 S C 0.667 175.275 174.600 0.014 0.000 1.094 1096 S CA -0.234 57.978 58.200 0.021 0.000 1.081 1096 S CB 1.993 65.204 63.200 0.019 0.000 1.007 1096 S HN 1.540 nan 8.310 nan 0.000 0.475 1097 G N 2.262 111.067 108.800 0.008 0.000 2.697 1097 G HA2 -0.152 3.805 3.960 -0.006 0.000 0.240 1097 G HA3 -0.152 3.805 3.960 -0.006 0.000 0.240 1097 G C 0.459 175.364 174.900 0.009 0.000 1.346 1097 G CA -0.058 45.044 45.100 0.002 0.000 0.887 1097 G HN 1.753 nan 8.290 nan 0.000 0.569 1098 V N 0.307 120.224 119.914 0.006 0.000 2.527 1098 V HA -0.386 3.730 4.120 -0.006 0.000 0.196 1098 V C 0.884 176.992 176.094 0.023 0.000 0.953 1098 V CA 4.180 66.487 62.300 0.012 0.000 1.142 1098 V CB -2.291 29.540 31.823 0.013 0.000 1.037 1098 V HN 1.014 nan 8.190 nan 0.000 0.486 1099 P HA -0.144 nan 4.420 nan 0.000 0.222 1099 P C 1.435 178.760 177.300 0.043 0.000 1.147 1099 P CA 1.927 65.050 63.100 0.038 0.000 0.790 1099 P CB -0.132 31.588 31.700 0.034 0.000 0.780 1100 R N 0.405 120.928 120.500 0.038 0.000 2.075 1100 R HA -0.061 4.275 4.340 -0.006 0.000 0.232 1100 R C 2.238 178.566 176.300 0.048 0.000 1.126 1100 R CA 0.996 57.123 56.100 0.046 0.000 0.963 1100 R CB -1.763 28.561 30.300 0.040 0.000 0.858 1100 R HN 0.094 nan 8.270 nan 0.000 0.435 1101 L N 0.932 122.173 121.223 0.030 0.000 2.141 1101 L HA -0.052 4.284 4.340 -0.006 0.000 0.209 1101 L C 2.204 179.093 176.870 0.033 0.000 1.094 1101 L CA 1.851 56.703 54.840 0.019 0.000 0.763 1101 L CB -0.493 41.566 42.059 0.001 0.000 0.908 1101 L HN 0.231 nan 8.230 nan 0.000 0.437 1102 K N -0.328 120.098 120.400 0.044 0.000 2.026 1102 K HA -0.220 4.096 4.320 -0.006 0.000 0.208 1102 K C 1.939 178.585 176.600 0.078 0.000 1.048 1102 K CA 1.921 58.244 56.287 0.061 0.000 0.929 1102 K CB -0.154 32.388 32.500 0.070 0.000 0.713 1102 K HN 0.446 nan 8.250 nan 0.000 0.439 1103 E N 0.534 120.784 120.200 0.082 0.000 2.118 1103 E HA -0.197 4.149 4.350 -0.006 0.000 0.195 1103 E C 2.076 178.765 176.600 0.149 0.000 0.992 1103 E CA 1.412 57.873 56.400 0.102 0.000 0.804 1103 E CB -0.128 29.628 29.700 0.093 0.000 0.741 1103 E HN 0.357 nan 8.360 nan 0.000 0.458 1104 I N 0.786 121.442 120.570 0.143 0.000 2.163 1104 I HA -0.302 3.864 4.170 -0.006 0.000 0.243 1104 I C 2.194 178.390 176.117 0.132 0.000 1.085 1104 I CA 1.195 62.589 61.300 0.157 0.000 1.347 1104 I CB -0.137 37.885 38.000 0.036 0.000 1.044 1104 I HN 0.118 nan 8.210 nan 0.000 0.408 1105 L N -0.003 121.268 121.223 0.080 0.000 2.240 1105 L HA -0.095 4.241 4.340 -0.006 0.000 0.211 1105 L C 1.947 178.878 176.870 0.101 0.000 1.106 1105 L CA 0.732 55.611 54.840 0.064 0.000 0.793 1105 L CB -0.644 41.429 42.059 0.022 0.000 0.927 1105 L HN 0.264 nan 8.230 nan 0.000 0.446 1106 N N -0.296 118.473 118.700 0.115 0.000 2.250 1106 N HA -0.030 4.706 4.740 -0.006 0.000 0.181 1106 N C 0.384 175.967 175.510 0.123 0.000 1.017 1106 N CA 0.420 53.543 53.050 0.121 0.000 0.866 1106 N CB 0.112 38.667 38.487 0.113 0.000 0.985 1106 N HN -0.081 nan 8.380 nan 0.000 0.429 1107 V N -0.169 119.835 119.914 0.150 0.000 5.998 1107 V HA -0.210 3.906 4.120 -0.006 0.000 0.253 1107 V C 0.039 176.160 176.094 0.045 0.000 0.630 1107 V CA 0.247 62.629 62.300 0.137 0.000 0.750 1107 V CB -2.534 29.384 31.823 0.158 0.000 0.744 1107 V HN 0.406 nan 8.190 nan 0.000 0.481 1108 A N 2.703 125.536 122.820 0.021 0.000 2.306 1108 A HA 0.856 5.172 4.320 -0.006 0.000 0.330 1108 A C 0.815 178.364 177.584 -0.057 0.000 1.146 1108 A CA -0.006 52.025 52.037 -0.009 0.000 0.827 1108 A CB 1.299 20.305 19.000 0.011 0.000 1.178 1108 A HN 0.606 nan 8.150 nan 0.000 0.490 1109 K N 1.064 121.431 120.400 -0.055 0.000 2.057 1109 K HA -0.099 4.217 4.320 -0.006 0.000 0.206 1109 K C 0.372 176.931 176.600 -0.069 0.000 1.050 1109 K CA 1.791 58.035 56.287 -0.072 0.000 0.935 1109 K CB -0.101 32.367 32.500 -0.053 0.000 0.715 1109 K HN 0.852 nan 8.250 nan 0.000 0.439 1110 N N 1.295 119.969 118.700 -0.044 0.000 2.425 1110 N HA 0.103 4.839 4.740 -0.006 0.000 0.268 1110 N C -0.600 174.896 175.510 -0.022 0.000 0.991 1110 N CA -0.277 52.753 53.050 -0.033 0.000 0.931 1110 N CB 0.770 39.244 38.487 -0.021 0.000 1.130 1110 N HN -0.096 nan 8.380 nan 0.000 0.493 1111 M N 1.151 120.736 119.600 -0.025 0.000 2.250 1111 M HA 0.186 4.662 4.480 -0.006 0.000 0.344 1111 M C 1.397 177.700 176.300 0.005 0.000 1.150 1111 M CA -0.454 54.843 55.300 -0.004 0.000 1.147 1111 M CB 0.797 33.393 32.600 -0.006 0.000 1.498 1111 M HN 0.546 nan 8.290 nan 0.000 0.461 1112 K N 1.812 122.222 120.400 0.016 0.000 2.057 1112 K HA -0.022 4.294 4.320 -0.006 0.000 0.207 1112 K C -0.140 176.469 176.600 0.014 0.000 1.049 1112 K CA 1.286 57.583 56.287 0.016 0.000 0.931 1112 K CB 0.197 32.711 32.500 0.023 0.000 0.714 1112 K HN 0.793 nan 8.250 nan 0.000 0.440 1113 T N 1.621 116.186 114.554 0.018 0.000 2.985 1113 T HA 0.295 4.642 4.350 -0.006 0.000 0.315 1113 T C -2.518 172.191 174.700 0.016 0.000 1.001 1113 T CA -1.513 60.597 62.100 0.017 0.000 1.016 1113 T CB 2.041 70.923 68.868 0.023 0.000 0.993 1113 T HN -0.048 nan 8.240 nan 0.000 0.454 1114 P HA 0.223 nan 4.420 nan 0.000 0.200 1114 P C -0.548 176.752 177.300 0.001 0.000 1.048 1114 P CA 0.046 63.143 63.100 -0.005 0.000 0.734 1114 P CB 0.174 31.866 31.700 -0.012 0.000 0.648 1115 S N -1.732 113.968 115.700 0.001 0.000 2.881 1115 S HA -0.044 4.422 4.470 -0.006 0.000 0.852 1115 S C -0.584 174.014 174.600 -0.003 0.000 0.877 1115 S CA -0.218 57.989 58.200 0.012 0.000 1.464 1115 S CB -1.939 61.280 63.200 0.031 0.000 1.049 1115 S HN 0.433 nan 8.310 nan 0.000 0.322 1116 L N 0.895 122.120 121.223 0.003 0.000 2.341 1116 L HA 0.908 5.244 4.340 -0.006 0.000 0.278 1116 L C 0.274 177.170 176.870 0.043 0.000 1.005 1116 L CA -0.454 54.384 54.840 -0.004 0.000 0.818 1116 L CB 1.564 43.614 42.059 -0.014 0.000 1.259 1116 L HN 0.406 nan 8.230 nan 0.000 0.418 1117 T N 3.096 117.701 114.554 0.085 0.000 2.780 1117 T HA 0.559 4.905 4.350 -0.006 0.000 0.294 1117 T C 0.141 174.896 174.700 0.091 0.000 0.949 1117 T CA -0.454 61.696 62.100 0.083 0.000 1.074 1117 T CB 1.006 69.961 68.868 0.145 0.000 0.910 1117 T HN 0.664 nan 8.240 nan 0.000 0.501 1118 V N 1.656 121.567 119.914 -0.004 0.000 2.581 1118 V HA 0.702 4.818 4.120 -0.006 0.000 0.303 1118 V C -1.293 174.760 176.094 -0.068 0.000 1.041 1118 V CA -1.217 61.115 62.300 0.053 0.000 0.907 1118 V CB 0.794 32.655 31.823 0.064 0.000 0.994 1118 V HN 0.731 nan 8.190 nan 0.000 0.442 1119 Y N 2.833 123.195 120.300 0.103 0.000 2.446 1119 Y HA 0.737 5.283 4.550 -0.006 0.000 0.338 1119 Y C 0.028 175.986 175.900 0.095 0.000 1.055 1119 Y CA -0.861 57.303 58.100 0.106 0.000 1.101 1119 Y CB 1.888 40.402 38.460 0.090 0.000 1.221 1119 Y HN 0.556 nan 8.280 nan 0.000 0.460 1120 L N 1.424 122.798 121.223 0.251 0.000 2.466 1120 L HA 0.175 4.511 4.340 -0.006 0.000 0.257 1120 L C 0.455 177.427 176.870 0.170 0.000 1.189 1120 L CA -0.306 54.643 54.840 0.182 0.000 0.813 1120 L CB 0.371 42.537 42.059 0.178 0.000 1.118 1120 L HN 0.590 nan 8.230 nan 0.000 0.471 1121 E N 2.593 122.870 120.200 0.129 0.000 2.465 1121 E HA -0.056 4.290 4.350 -0.006 0.000 0.260 1121 E C -1.611 175.074 176.600 0.141 0.000 0.980 1121 E CA -1.047 55.421 56.400 0.113 0.000 0.927 1121 E CB 0.746 30.492 29.700 0.076 0.000 0.934 1121 E HN 0.334 nan 8.360 nan 0.000 0.459 1122 P HA -0.273 nan 4.420 nan 0.000 0.219 1122 P C 1.048 178.407 177.300 0.099 0.000 1.159 1122 P CA 2.078 65.232 63.100 0.091 0.000 0.944 1122 P CB -0.053 31.682 31.700 0.059 0.000 0.792 1123 G N -1.054 107.814 108.800 0.113 0.000 2.453 1123 G HA2 -0.190 3.767 3.960 -0.006 0.000 0.215 1123 G HA3 -0.190 3.767 3.960 -0.006 0.000 0.215 1123 G C 0.578 175.494 174.900 0.027 0.000 1.201 1123 G CA 0.494 45.630 45.100 0.060 0.000 0.784 1123 G HN 0.405 nan 8.290 nan 0.000 0.545 1124 H N 1.265 120.366 119.070 0.051 0.000 3.224 1124 H HA 0.447 5.000 4.556 -0.006 0.000 0.265 1124 H C 0.958 176.337 175.328 0.085 0.000 1.461 1124 H CA 0.128 56.212 56.048 0.059 0.000 1.509 1124 H CB 0.639 30.429 29.762 0.046 0.000 1.686 1124 H HN 0.343 nan 8.280 nan 0.000 0.514 1125 A N 2.550 125.469 122.820 0.164 0.000 2.042 1125 A HA 0.316 4.632 4.320 -0.006 0.000 0.204 1125 A C 1.961 179.686 177.584 0.234 0.000 1.712 1125 A CA 0.537 52.684 52.037 0.185 0.000 0.890 1125 A CB -0.296 18.794 19.000 0.149 0.000 1.176 1125 A HN 0.540 nan 8.150 nan 0.000 0.573 1126 A N 0.666 123.609 122.820 0.206 0.000 2.276 1126 A HA 0.303 4.620 4.320 -0.006 0.000 0.212 1126 A C -0.507 177.262 177.584 0.309 0.000 1.230 1126 A CA 0.075 52.291 52.037 0.299 0.000 0.844 1126 A CB -0.857 18.245 19.000 0.171 0.000 0.860 1126 A HN 0.472 nan 8.150 nan 0.000 0.486 1127 D N -0.254 120.264 120.400 0.196 0.000 2.390 1127 D HA 0.277 4.913 4.640 -0.006 0.000 0.249 1127 D C 1.004 177.308 176.300 0.007 0.000 1.144 1127 D CA 0.037 54.099 54.000 0.104 0.000 0.880 1127 D CB 0.788 41.645 40.800 0.095 0.000 1.182 1127 D HN 0.242 nan 8.370 nan 0.000 0.451 1128 Q N 1.549 121.319 119.800 -0.050 0.000 1.965 1128 Q HA -0.164 4.172 4.340 -0.006 0.000 0.200 1128 Q C 1.508 177.357 176.000 -0.251 0.000 0.981 1128 Q CA 1.444 57.121 55.803 -0.210 0.000 0.834 1128 Q CB 0.064 28.732 28.738 -0.116 0.000 0.900 1128 Q HN 0.633 nan 8.270 nan 0.000 0.426 1129 E N -0.810 119.308 120.200 -0.137 0.000 2.358 1129 E HA -0.189 4.157 4.350 -0.006 0.000 0.195 1129 E C 1.733 178.276 176.600 -0.094 0.000 1.010 1129 E CA 0.362 56.690 56.400 -0.120 0.000 0.856 1129 E CB 0.157 29.812 29.700 -0.074 0.000 0.795 1129 E HN 0.278 nan 8.360 nan 0.000 0.504 1130 Q N 0.511 120.273 119.800 -0.063 0.000 2.135 1130 Q HA -0.159 4.178 4.340 -0.006 0.000 0.204 1130 Q C 1.799 177.775 176.000 -0.040 0.000 0.981 1130 Q CA 1.954 57.744 55.803 -0.022 0.000 0.856 1130 Q CB -0.282 28.482 28.738 0.042 0.000 0.902 1130 Q HN 0.282 nan 8.270 nan 0.000 0.425 1131 A N 0.218 122.983 122.820 -0.093 0.000 1.969 1131 A HA -0.149 4.167 4.320 -0.006 0.000 0.218 1131 A C 1.911 179.435 177.584 -0.100 0.000 1.169 1131 A CA 1.480 53.462 52.037 -0.093 0.000 0.635 1131 A CB -0.336 18.550 19.000 -0.189 0.000 0.810 1131 A HN 0.383 nan 8.150 nan 0.000 0.445 1132 K N -0.421 119.899 120.400 -0.133 0.000 2.155 1132 K HA 0.060 4.377 4.320 -0.006 0.000 0.203 1132 K C 1.704 178.260 176.600 -0.074 0.000 1.052 1132 K CA 0.997 57.215 56.287 -0.115 0.000 0.948 1132 K CB -0.283 32.137 32.500 -0.134 0.000 0.728 1132 K HN 0.452 nan 8.250 nan 0.000 0.448 1133 L N 0.615 121.802 121.223 -0.060 0.000 2.093 1133 L HA -0.138 4.199 4.340 -0.006 0.000 0.208 1133 L C 2.144 178.997 176.870 -0.030 0.000 1.085 1133 L CA 1.096 55.911 54.840 -0.041 0.000 0.755 1133 L CB -0.289 41.749 42.059 -0.035 0.000 0.904 1133 L HN 0.139 nan 8.230 nan 0.000 0.435 1134 I N -1.173 119.383 120.570 -0.022 0.000 2.584 1134 I HA -0.164 4.002 4.170 -0.006 0.000 0.255 1134 I C 2.741 178.856 176.117 -0.003 0.000 1.145 1134 I CA 0.572 61.867 61.300 -0.007 0.000 1.462 1134 I CB -0.318 37.687 38.000 0.009 0.000 1.102 1134 I HN 0.168 nan 8.210 nan 0.000 0.433 1135 R N 1.453 121.947 120.500 -0.010 0.000 2.083 1135 R HA -0.146 4.190 4.340 -0.006 0.000 0.237 1135 R C 1.324 177.626 176.300 0.004 0.000 1.137 1135 R CA 1.809 57.911 56.100 0.002 0.000 0.951 1135 R CB -0.144 30.148 30.300 -0.014 0.000 0.851 1135 R HN 0.413 nan 8.270 nan 0.000 0.434 1136 S N -1.144 114.547 115.700 -0.016 0.000 3.965 1136 S HA 0.494 4.960 4.470 -0.006 0.000 0.195 1136 S C 0.124 174.714 174.600 -0.017 0.000 1.449 1136 S CA -0.076 58.115 58.200 -0.015 0.000 0.965 1136 S CB 1.383 64.565 63.200 -0.030 0.000 1.459 1136 S HN 0.418 nan 8.310 nan 0.000 0.476 1137 A N 1.359 124.172 122.820 -0.012 0.000 2.604 1137 A HA 0.421 4.737 4.320 -0.006 0.000 0.157 1137 A C 0.929 178.501 177.584 -0.019 0.000 1.680 1137 A CA -0.089 51.937 52.037 -0.018 0.000 1.227 1137 A CB -0.125 18.866 19.000 -0.016 0.000 1.493 1137 A HN 0.598 nan 8.150 nan 0.000 0.453 1138 I N -0.568 119.997 120.570 -0.008 0.000 4.197 1138 I HA 0.186 4.352 4.170 -0.006 0.000 0.307 1138 I C 0.871 176.988 176.117 0.001 0.000 1.236 1138 I CA -0.012 61.283 61.300 -0.007 0.000 1.321 1138 I CB 0.195 38.200 38.000 0.008 0.000 1.309 1138 I HN 0.280 nan 8.210 nan 0.000 0.450 1139 E N 3.017 123.232 120.200 0.025 0.000 2.465 1139 E HA -0.129 4.218 4.350 -0.006 0.000 0.260 1139 E C -0.166 176.476 176.600 0.071 0.000 0.980 1139 E CA 0.155 56.590 56.400 0.059 0.000 0.927 1139 E CB 0.271 30.015 29.700 0.074 0.000 0.934 1139 E HN 0.243 nan 8.360 nan 0.000 0.459 1140 H N 2.869 121.945 119.070 0.010 0.000 2.975 1140 H HA 0.054 4.606 4.556 -0.006 0.000 0.303 1140 H C -0.551 174.780 175.328 0.006 0.000 1.023 1140 H CA 0.216 56.266 56.048 0.003 0.000 1.473 1140 H CB 0.489 30.251 29.762 0.001 0.000 1.498 1140 H HN 0.396 nan 8.280 nan 0.000 0.549 1141 T N 2.209 116.904 114.554 0.235 0.000 2.912 1141 T HA 0.183 4.529 4.350 -0.006 0.000 0.326 1141 T C 0.133 174.942 174.700 0.183 0.000 1.080 1141 T CA -1.009 61.186 62.100 0.158 0.000 1.000 1141 T CB 1.236 70.142 68.868 0.063 0.000 1.008 1141 T HN 0.534 nan 8.240 nan 0.000 0.473 1142 T N 2.274 116.925 114.554 0.162 0.000 2.902 1142 T HA 0.395 4.741 4.350 -0.006 0.000 0.280 1142 T C 1.168 175.899 174.700 0.052 0.000 0.992 1142 T CA -0.854 61.310 62.100 0.107 0.000 1.015 1142 T CB 0.795 69.686 68.868 0.038 0.000 1.044 1142 T HN 0.525 nan 8.240 nan 0.000 0.520 1143 L N 2.630 123.877 121.223 0.041 0.000 2.141 1143 L HA 0.148 4.484 4.340 -0.006 0.000 0.209 1143 L C 2.560 179.444 176.870 0.023 0.000 1.094 1143 L CA 1.774 56.631 54.840 0.027 0.000 0.763 1143 L CB -0.533 41.546 42.059 0.034 0.000 0.908 1143 L HN 0.706 nan 8.230 nan 0.000 0.437 1144 K N -0.769 119.643 120.400 0.020 0.000 2.097 1144 K HA -0.171 4.145 4.320 -0.006 0.000 0.206 1144 K C 2.167 178.773 176.600 0.011 0.000 1.049 1144 K CA 1.453 57.747 56.287 0.013 0.000 0.933 1144 K CB -0.127 32.375 32.500 0.003 0.000 0.717 1144 K HN 0.554 nan 8.250 nan 0.000 0.442 1145 S N 0.111 115.819 115.700 0.012 0.000 2.440 1145 S HA -0.112 4.355 4.470 -0.006 0.000 0.238 1145 S C 1.824 176.434 174.600 0.017 0.000 1.010 1145 S CA 1.345 59.553 58.200 0.014 0.000 0.972 1145 S CB -0.333 62.880 63.200 0.022 0.000 0.774 1145 S HN 0.274 nan 8.310 nan 0.000 0.501 1146 V N -2.711 117.213 119.914 0.017 0.000 3.572 1146 V HA 0.309 4.426 4.120 -0.006 0.000 0.260 1146 V C 0.549 176.653 176.094 0.017 0.000 1.324 1146 V CA 0.045 62.354 62.300 0.016 0.000 1.068 1146 V CB -0.719 31.110 31.823 0.011 0.000 0.837 1146 V HN 0.293 nan 8.190 nan 0.000 0.450 1147 T N 2.301 116.866 114.554 0.018 0.000 2.834 1147 T HA 0.489 4.836 4.350 -0.006 0.000 0.298 1147 T C 1.206 175.920 174.700 0.023 0.000 0.966 1147 T CA 0.260 62.374 62.100 0.023 0.000 1.141 1147 T CB 1.531 70.414 68.868 0.025 0.000 0.905 1147 T HN 0.246 nan 8.240 nan 0.000 0.535 1148 I N 1.670 122.256 120.570 0.026 0.000 2.206 1148 I HA 0.177 4.343 4.170 -0.006 0.000 0.239 1148 I C 1.329 177.462 176.117 0.026 0.000 1.078 1148 I CA 0.579 61.894 61.300 0.025 0.000 1.367 1148 I CB -0.047 37.970 38.000 0.028 0.000 1.078 1148 I HN 0.614 nan 8.210 nan 0.000 0.413 1149 A N 0.113 122.953 122.820 0.033 0.000 2.520 1149 A HA 0.623 4.939 4.320 -0.006 0.000 0.298 1149 A C -0.641 176.969 177.584 0.045 0.000 1.051 1149 A CA -0.461 51.596 52.037 0.034 0.000 0.690 1149 A CB 1.306 20.328 19.000 0.036 0.000 1.281 1149 A HN 0.173 nan 8.150 nan 0.000 0.402 1150 S N 1.275 116.998 115.700 0.038 0.000 2.454 1150 S HA 0.775 5.241 4.470 -0.006 0.000 0.306 1150 S C -0.688 173.934 174.600 0.038 0.000 1.100 1150 S CA -0.560 57.668 58.200 0.047 0.000 1.087 1150 S CB 1.364 64.586 63.200 0.038 0.000 1.019 1150 S HN 0.673 nan 8.310 nan 0.000 0.480 1151 E N 1.654 121.894 120.200 0.067 0.000 2.277 1151 E HA 0.547 4.893 4.350 -0.006 0.000 0.266 1151 E C -1.050 175.571 176.600 0.035 0.000 0.901 1151 E CA -0.817 55.595 56.400 0.020 0.000 0.782 1151 E CB 2.100 31.843 29.700 0.072 0.000 1.228 1151 E HN 0.629 nan 8.360 nan 0.000 0.424 1152 I N 2.705 123.231 120.570 -0.073 0.000 2.382 1152 I HA 0.316 4.483 4.170 -0.006 0.000 0.286 1152 I C -1.063 175.031 176.117 -0.038 0.000 1.002 1152 I CA -0.553 60.761 61.300 0.024 0.000 1.135 1152 I CB 0.566 38.577 38.000 0.019 0.000 1.288 1152 I HN 0.422 nan 8.210 nan 0.000 0.448 1153 Y N 4.594 125.015 120.300 0.201 0.000 2.567 1153 Y HA 0.365 4.911 4.550 -0.006 0.000 0.333 1153 Y C -0.576 175.516 175.900 0.319 0.000 1.106 1153 Y CA -0.596 57.633 58.100 0.214 0.000 1.157 1153 Y CB 1.731 40.265 38.460 0.123 0.000 1.277 1153 Y HN 0.388 nan 8.280 nan 0.000 0.490 1154 Y N 2.274 122.738 120.300 0.274 0.000 2.721 1154 Y HA 0.321 4.867 4.550 -0.006 0.000 0.328 1154 Y C -1.071 174.795 175.900 -0.055 0.000 1.003 1154 Y CA -1.113 56.975 58.100 -0.020 0.000 1.275 1154 Y CB 0.354 38.702 38.460 -0.187 0.000 1.097 1154 Y HN 0.509 nan 8.280 nan 0.000 0.514 1155 D N 8.492 128.669 120.400 -0.372 0.000 2.461 1155 D HA 0.239 4.875 4.640 -0.006 0.000 0.240 1155 D C -1.932 174.064 176.300 -0.507 0.000 1.094 1155 D CA -1.843 51.940 54.000 -0.362 0.000 0.868 1155 D CB 2.171 42.880 40.800 -0.152 0.000 1.062 1155 D HN 0.310 nan 8.370 nan 0.000 0.530 1156 P HA -0.077 nan 4.420 nan 0.000 0.214 1156 P C 0.409 177.544 177.300 -0.275 0.000 1.162 1156 P CA 0.496 63.280 63.100 -0.527 0.000 0.874 1156 P CB 0.546 31.974 31.700 -0.454 0.000 0.784 1157 D N 0.321 120.600 120.400 -0.202 0.000 2.339 1157 D HA 0.077 4.713 4.640 -0.006 0.000 0.256 1157 D C -1.580 174.661 176.300 -0.099 0.000 1.214 1157 D CA -1.788 52.137 54.000 -0.125 0.000 0.877 1157 D CB 1.300 42.042 40.800 -0.097 0.000 1.111 1157 D HN 0.006 nan 8.370 nan 0.000 0.478 1158 P HA 0.026 nan 4.420 nan 0.000 0.223 1158 P C 1.113 178.430 177.300 0.028 0.000 1.151 1158 P CA 0.645 63.718 63.100 -0.046 0.000 0.787 1158 P CB 0.438 32.089 31.700 -0.082 0.000 0.788 1159 R N -0.421 120.095 120.500 0.026 0.000 2.140 1159 R HA 0.112 4.449 4.340 -0.006 0.000 0.213 1159 R C 1.132 177.427 176.300 -0.009 0.000 1.059 1159 R CA 0.745 56.873 56.100 0.047 0.000 1.000 1159 R CB -0.027 30.273 30.300 -0.001 0.000 0.910 1159 R HN 0.302 nan 8.270 nan 0.000 0.455 1160 S N -0.766 114.914 115.700 -0.033 0.000 2.759 1160 S HA 0.561 5.027 4.470 -0.006 0.000 0.310 1160 S C -0.359 174.209 174.600 -0.054 0.000 1.123 1160 S CA -0.752 57.419 58.200 -0.049 0.000 0.959 1160 S CB 2.531 65.695 63.200 -0.060 0.000 1.172 1160 S HN -0.070 nan 8.310 nan 0.000 0.539 1161 T N 0.643 115.161 114.554 -0.060 0.000 2.912 1161 T HA 0.446 4.792 4.350 -0.006 0.000 0.299 1161 T C 0.892 175.544 174.700 -0.079 0.000 1.052 1161 T CA -0.720 61.336 62.100 -0.075 0.000 0.996 1161 T CB 1.638 70.463 68.868 -0.072 0.000 1.070 1161 T HN 0.405 nan 8.240 nan 0.000 0.465 1162 V N 1.362 121.220 119.914 -0.094 0.000 2.591 1162 V HA 0.064 4.180 4.120 -0.006 0.000 0.249 1162 V C 0.970 177.012 176.094 -0.086 0.000 1.053 1162 V CA 1.070 63.326 62.300 -0.074 0.000 1.068 1162 V CB -0.557 31.237 31.823 -0.050 0.000 0.689 1162 V HN 0.721 nan 8.190 nan 0.000 0.462 1163 I N 2.625 123.112 120.570 -0.138 0.000 2.416 1163 I HA 0.142 4.309 4.170 -0.006 0.000 0.288 1163 I C -1.005 175.061 176.117 -0.086 0.000 1.051 1163 I CA -1.488 59.728 61.300 -0.140 0.000 1.375 1163 I CB 0.891 38.750 38.000 -0.235 0.000 1.407 1163 I HN 0.077 nan 8.210 nan 0.000 0.516 1164 P HA -0.093 nan 4.420 nan 0.000 0.229 1164 P C 0.801 178.080 177.300 -0.035 0.000 1.160 1164 P CA 1.108 64.185 63.100 -0.039 0.000 0.777 1164 P CB 0.248 31.932 31.700 -0.026 0.000 0.814 1165 E N -0.202 119.974 120.200 -0.040 0.000 2.358 1165 E HA -0.083 4.263 4.350 -0.006 0.000 0.195 1165 E C 0.713 177.295 176.600 -0.029 0.000 1.010 1165 E CA 0.656 57.039 56.400 -0.028 0.000 0.856 1165 E CB -0.165 29.520 29.700 -0.024 0.000 0.795 1165 E HN 0.251 nan 8.360 nan 0.000 0.504 1166 D N -0.120 120.253 120.400 -0.045 0.000 2.433 1166 D HA 0.023 4.659 4.640 -0.006 0.000 0.211 1166 D C 1.005 177.287 176.300 -0.031 0.000 1.114 1166 D CA 0.070 54.047 54.000 -0.038 0.000 0.837 1166 D CB 0.286 41.051 40.800 -0.058 0.000 0.984 1166 D HN 0.117 nan 8.370 nan 0.000 0.505 1167 E N 0.996 121.175 120.200 -0.035 0.000 2.204 1167 E HA -0.184 4.162 4.350 -0.006 0.000 0.195 1167 E C 1.680 178.264 176.600 -0.027 0.000 0.990 1167 E CA 0.876 57.256 56.400 -0.034 0.000 0.821 1167 E CB 0.117 29.794 29.700 -0.037 0.000 0.750 1167 E HN 0.550 nan 8.360 nan 0.000 0.477 1168 E N 0.473 120.661 120.200 -0.019 0.000 2.216 1168 E HA -0.116 4.231 4.350 -0.006 0.000 0.192 1168 E C 1.964 178.562 176.600 -0.003 0.000 0.988 1168 E CA 0.615 57.006 56.400 -0.014 0.000 0.834 1168 E CB -0.191 29.503 29.700 -0.010 0.000 0.772 1168 E HN 0.275 nan 8.360 nan 0.000 0.479 1169 I N 0.567 121.139 120.570 0.003 0.000 2.333 1169 I HA -0.140 4.027 4.170 -0.006 0.000 0.246 1169 I C 2.469 178.611 176.117 0.041 0.000 1.106 1169 I CA 0.412 61.720 61.300 0.014 0.000 1.411 1169 I CB -0.104 37.900 38.000 0.007 0.000 1.082 1169 I HN 0.088 nan 8.210 nan 0.000 0.420 1170 I N 0.881 121.480 120.570 0.048 0.000 2.226 1170 I HA -0.299 3.868 4.170 -0.006 0.000 0.245 1170 I C 2.449 178.670 176.117 0.174 0.000 1.100 1170 I CA 1.851 63.221 61.300 0.116 0.000 1.374 1170 I CB -0.311 37.743 38.000 0.091 0.000 1.057 1170 I HN 0.215 nan 8.210 nan 0.000 0.413 1171 Q N -0.387 119.436 119.800 0.038 0.000 2.297 1171 Q HA -0.081 4.255 4.340 -0.006 0.000 0.204 1171 Q C 2.212 178.243 176.000 0.051 0.000 0.962 1171 Q CA 1.036 56.811 55.803 -0.046 0.000 0.879 1171 Q CB -0.016 28.657 28.738 -0.109 0.000 0.947 1171 Q HN 0.524 nan 8.270 nan 0.000 0.462 1172 L N -0.609 120.660 121.223 0.077 0.000 2.131 1172 L HA -0.090 4.247 4.340 -0.006 0.000 0.206 1172 L C 1.647 178.559 176.870 0.070 0.000 1.087 1172 L CA 0.660 55.531 54.840 0.052 0.000 0.767 1172 L CB -0.103 41.968 42.059 0.019 0.000 0.917 1172 L HN 0.259 nan 8.230 nan 0.000 0.441 1173 H N -0.677 118.425 119.070 0.054 0.000 2.768 1173 H HA 0.088 4.640 4.556 -0.006 0.000 0.228 1173 H C 0.040 175.386 175.328 0.030 0.000 1.812 1173 H CA 0.210 56.241 56.048 -0.029 0.000 1.273 1173 H CB 0.137 29.805 29.762 -0.157 0.000 1.631 1173 H HN 0.179 nan 8.280 nan 0.000 0.526 1174 F N -0.981 118.938 119.950 -0.052 0.000 2.268 1174 F HA 0.066 4.589 4.527 -0.006 0.000 0.262 1174 F C 0.907 176.663 175.800 -0.073 0.000 0.910 1174 F CA 0.331 58.310 58.000 -0.035 0.000 1.142 1174 F CB 0.497 39.484 39.000 -0.022 0.000 1.229 1174 F HN 0.214 nan 8.300 nan 0.000 0.781 1186 D N -0.483 119.988 120.400 0.118 0.000 3.576 1186 D HA 0.284 4.921 4.640 -0.006 0.000 0.159 1186 D C -0.820 175.455 176.300 -0.043 0.000 1.244 1186 D CA -0.095 53.922 54.000 0.029 0.000 1.449 1186 D CB 0.342 41.169 40.800 0.045 0.000 1.315 1186 D HN 0.056 nan 8.370 nan 0.000 0.294 1187 Q N 0.560 120.340 119.800 -0.034 0.000 2.331 1187 Q HA 0.471 4.808 4.340 -0.006 0.000 0.267 1187 Q C -0.853 175.116 176.000 -0.051 0.000 1.006 1187 Q CA -0.442 55.326 55.803 -0.057 0.000 0.818 1187 Q CB 2.498 31.216 28.738 -0.034 0.000 1.276 1187 Q HN 0.136 nan 8.270 nan 0.000 0.450 1188 Q N 0.207 119.957 119.800 -0.082 0.000 2.633 1188 Q HA 0.475 4.811 4.340 -0.006 0.000 0.208 1188 Q C -0.554 175.441 176.000 -0.009 0.000 1.010 1188 Q CA -0.687 55.087 55.803 -0.048 0.000 0.982 1188 Q CB 0.849 29.530 28.738 -0.096 0.000 1.334 1188 Q HN 0.481 nan 8.270 nan 0.000 0.508 1189 S N 0.086 115.810 115.700 0.040 0.000 2.537 1189 S HA 0.322 4.788 4.470 -0.006 0.000 0.275 1189 S C -1.998 172.616 174.600 0.023 0.000 1.272 1189 S CA -1.620 56.635 58.200 0.091 0.000 1.050 1189 S CB 0.347 63.678 63.200 0.218 0.000 0.961 1189 S HN 0.298 nan 8.310 nan 0.000 0.496 1190 P HA 0.068 nan 4.420 nan 0.000 0.239 1190 P C -0.815 176.297 177.300 -0.313 0.000 1.184 1190 P CA 0.392 63.307 63.100 -0.308 0.000 0.760 1190 P CB -0.061 31.344 31.700 -0.491 0.000 0.884 1191 W N 0.684 122.054 121.300 0.117 0.000 2.416 1191 W HA 0.313 4.969 4.660 -0.006 0.000 0.318 1191 W C 0.222 176.807 176.519 0.110 0.000 1.150 1191 W CA -0.906 56.536 57.345 0.161 0.000 1.392 1191 W CB 0.125 29.672 29.460 0.144 0.000 1.311 1191 W HN -0.122 nan 8.180 nan 0.000 0.436 1192 L N 5.466 126.889 121.223 0.334 0.000 2.349 1192 L HA 0.439 4.775 4.340 -0.006 0.000 0.275 1192 L C -0.719 176.311 176.870 0.268 0.000 1.115 1192 L CA -0.526 54.465 54.840 0.251 0.000 0.820 1192 L CB 0.458 42.646 42.059 0.215 0.000 1.135 1192 L HN 0.326 nan 8.230 nan 0.000 0.445 1193 L N 5.991 127.332 121.223 0.196 0.000 2.319 1193 L HA 0.555 4.892 4.340 -0.006 0.000 0.281 1193 L C -0.529 176.431 176.870 0.150 0.000 1.005 1193 L CA -0.101 54.832 54.840 0.155 0.000 0.828 1193 L CB 1.014 43.130 42.059 0.096 0.000 1.227 1193 L HN 0.716 nan 8.230 nan 0.000 0.415 1194 R N 4.214 124.819 120.500 0.176 0.000 2.664 1194 R HA 0.853 5.189 4.340 -0.006 0.000 0.286 1194 R C -1.631 174.746 176.300 0.128 0.000 0.967 1194 R CA -0.654 55.549 56.100 0.172 0.000 0.933 1194 R CB 1.256 31.717 30.300 0.269 0.000 1.146 1194 R HN 0.709 nan 8.270 nan 0.000 0.468 1195 L N 2.098 123.385 121.223 0.107 0.000 2.436 1195 L HA 0.454 4.790 4.340 -0.006 0.000 0.268 1195 L C -0.832 176.085 176.870 0.077 0.000 0.974 1195 L CA -0.553 54.337 54.840 0.083 0.000 0.826 1195 L CB 2.260 44.360 42.059 0.068 0.000 1.291 1195 L HN 0.622 nan 8.230 nan 0.000 0.406 1196 E N 3.469 123.709 120.200 0.067 0.000 2.176 1196 E HA 0.633 4.980 4.350 -0.006 0.000 0.267 1196 E C -1.583 175.043 176.600 0.044 0.000 0.893 1196 E CA -0.601 55.834 56.400 0.059 0.000 0.761 1196 E CB 1.559 31.296 29.700 0.061 0.000 1.133 1196 E HN 0.459 nan 8.360 nan 0.000 0.409 1197 L N 2.844 124.091 121.223 0.039 0.000 2.331 1197 L HA 0.395 4.731 4.340 -0.006 0.000 0.275 1197 L C 0.220 177.106 176.870 0.027 0.000 1.022 1197 L CA -1.000 53.858 54.840 0.029 0.000 0.812 1197 L CB 1.430 43.502 42.059 0.021 0.000 1.257 1197 L HN 0.541 nan 8.230 nan 0.000 0.435 1198 D N 1.610 122.023 120.400 0.022 0.000 2.348 1198 D HA 0.033 4.669 4.640 -0.006 0.000 0.253 1198 D C 0.855 177.166 176.300 0.018 0.000 1.161 1198 D CA 0.008 54.020 54.000 0.021 0.000 0.876 1198 D CB 1.367 42.179 40.800 0.019 0.000 1.160 1198 D HN 0.495 nan 8.370 nan 0.000 0.459 1199 R N 3.138 123.650 120.500 0.019 0.000 2.081 1199 R HA -0.140 4.196 4.340 -0.006 0.000 0.235 1199 R C 1.817 178.125 176.300 0.013 0.000 1.131 1199 R CA 1.572 57.682 56.100 0.017 0.000 0.960 1199 R CB -0.011 30.300 30.300 0.018 0.000 0.856 1199 R HN 0.516 nan 8.270 nan 0.000 0.436 1200 A N 0.249 123.077 122.820 0.013 0.000 1.968 1200 A HA 0.043 4.359 4.320 -0.006 0.000 0.217 1200 A C 2.188 179.780 177.584 0.013 0.000 1.169 1200 A CA 1.234 53.278 52.037 0.012 0.000 0.638 1200 A CB -0.393 18.615 19.000 0.013 0.000 0.812 1200 A HN 0.485 nan 8.150 nan 0.000 0.446 1201 A N -1.010 121.820 122.820 0.016 0.000 2.066 1201 A HA 0.024 4.341 4.320 -0.006 0.000 0.218 1201 A C 2.081 179.673 177.584 0.014 0.000 1.157 1201 A CA 1.421 53.470 52.037 0.019 0.000 0.670 1201 A CB -0.391 18.621 19.000 0.021 0.000 0.804 1201 A HN 0.410 nan 8.150 nan 0.000 0.453 1202 M N 0.122 119.727 119.600 0.008 0.000 2.200 1202 M HA -0.062 4.414 4.480 -0.006 0.000 0.265 1202 M C 1.253 177.549 176.300 -0.006 0.000 1.066 1202 M CA 1.108 56.408 55.300 0.001 0.000 1.127 1202 M CB -1.295 31.305 32.600 0.000 0.000 1.379 1202 M HN 0.355 nan 8.290 nan 0.000 0.420 1203 N N 0.631 119.327 118.700 -0.005 0.000 2.396 1203 N HA -0.125 4.611 4.740 -0.006 0.000 0.180 1203 N C 1.248 176.742 175.510 -0.026 0.000 1.028 1203 N CA 0.921 53.963 53.050 -0.015 0.000 0.893 1203 N CB -0.370 38.111 38.487 -0.010 0.000 0.967 1203 N HN 0.336 nan 8.380 nan 0.000 0.440 1204 D N 0.618 121.010 120.400 -0.015 0.000 2.178 1204 D HA -0.031 4.606 4.640 -0.006 0.000 0.202 1204 D C 0.891 177.161 176.300 -0.049 0.000 0.974 1204 D CA 1.177 55.164 54.000 -0.022 0.000 0.841 1204 D CB 0.243 41.060 40.800 0.028 0.000 0.953 1204 D HN 0.150 nan 8.370 nan 0.000 0.478 1205 K N -0.318 120.069 120.400 -0.022 0.000 2.374 1205 K HA 0.090 4.407 4.320 -0.006 0.000 0.202 1205 K C -0.584 175.997 176.600 -0.032 0.000 1.040 1205 K CA -0.010 56.264 56.287 -0.022 0.000 1.085 1205 K CB 0.904 33.413 32.500 0.016 0.000 0.873 1205 K HN -0.088 nan 8.250 nan 0.000 0.539 1206 D N 1.635 122.014 120.400 -0.035 0.000 3.763 1206 D HA -0.180 4.457 4.640 -0.006 0.000 0.232 1206 D C -1.366 174.917 176.300 -0.029 0.000 1.108 1206 D CA 0.744 54.724 54.000 -0.034 0.000 1.117 1206 D CB -0.650 40.123 40.800 -0.045 0.000 0.846 1206 D HN 0.130 nan 8.370 nan 0.000 0.405 1207 L N 1.593 122.801 121.223 -0.025 0.000 2.371 1207 L HA 0.635 4.971 4.340 -0.006 0.000 0.262 1207 L C 0.505 177.356 176.870 -0.031 0.000 1.006 1207 L CA -0.936 53.886 54.840 -0.031 0.000 0.818 1207 L CB 2.409 44.447 42.059 -0.034 0.000 1.354 1207 L HN 0.107 nan 8.230 nan 0.000 0.415 1208 T N 0.852 115.380 114.554 -0.043 0.000 2.895 1208 T HA 0.295 4.641 4.350 -0.006 0.000 0.283 1208 T C 1.096 175.745 174.700 -0.086 0.000 1.014 1208 T CA -0.725 61.353 62.100 -0.037 0.000 1.037 1208 T CB 1.782 70.637 68.868 -0.021 0.000 1.006 1208 T HN 0.434 nan 8.240 nan 0.000 0.468 1209 M N 1.784 121.347 119.600 -0.062 0.000 2.213 1209 M HA -0.023 4.453 4.480 -0.006 0.000 0.263 1209 M C 2.473 178.473 176.300 -0.500 0.000 1.062 1209 M CA 1.370 56.576 55.300 -0.156 0.000 1.105 1209 M CB -1.472 31.165 32.600 0.062 0.000 1.385 1209 M HN 0.907 nan 8.290 nan 0.000 0.417 1210 G N -0.474 108.193 108.800 -0.222 0.000 2.408 1210 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.217 1210 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.217 1210 G C 1.506 176.191 174.900 -0.359 0.000 1.150 1210 G CA 0.306 45.275 45.100 -0.218 0.000 0.776 1210 G HN 0.488 nan 8.290 nan 0.000 0.542 1211 Q N -0.190 119.475 119.800 -0.226 0.000 2.084 1211 Q HA -0.083 4.254 4.340 -0.006 0.000 0.202 1211 Q C 2.881 178.733 176.000 -0.247 0.000 0.978 1211 Q CA 1.474 57.169 55.803 -0.181 0.000 0.844 1211 Q CB -0.247 28.425 28.738 -0.110 0.000 0.898 1211 Q HN 0.404 nan 8.270 nan 0.000 0.426 1212 V N 0.343 120.073 119.914 -0.307 0.000 2.261 1212 V HA -0.219 3.897 4.120 -0.006 0.000 0.246 1212 V C 2.265 178.121 176.094 -0.396 0.000 1.047 1212 V CA 2.054 64.182 62.300 -0.286 0.000 1.015 1212 V CB -1.306 30.370 31.823 -0.245 0.000 0.642 1212 V HN 0.534 nan 8.190 nan 0.000 0.446 1213 G N -0.889 107.428 108.800 -0.805 0.000 2.418 1213 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.217 1213 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.217 1213 G C 1.506 176.074 174.900 -0.554 0.000 1.158 1213 G CA 0.833 45.304 45.100 -1.049 0.000 0.771 1213 G HN 0.556 nan 8.290 nan 0.000 0.545 1214 E N -0.252 119.674 120.200 -0.456 0.000 2.106 1214 E HA -0.105 4.242 4.350 -0.006 0.000 0.192 1214 E C 2.661 179.219 176.600 -0.071 0.000 0.984 1214 E CA 0.569 56.894 56.400 -0.125 0.000 0.806 1214 E CB -0.014 29.648 29.700 -0.063 0.000 0.750 1214 E HN 0.192 nan 8.360 nan 0.000 0.458 1215 R N 0.911 121.346 120.500 -0.109 0.000 2.092 1215 R HA -0.051 4.286 4.340 -0.006 0.000 0.231 1215 R C 2.030 178.317 176.300 -0.020 0.000 1.119 1215 R CA 0.903 56.966 56.100 -0.062 0.000 0.970 1215 R CB -0.227 30.029 30.300 -0.073 0.000 0.864 1215 R HN 0.149 nan 8.270 nan 0.000 0.440 1216 I N -0.011 120.555 120.570 -0.007 0.000 2.315 1216 I HA -0.214 3.952 4.170 -0.006 0.000 0.248 1216 I C 2.300 178.532 176.117 0.193 0.000 1.117 1216 I CA 1.203 62.570 61.300 0.113 0.000 1.404 1216 I CB -0.241 37.816 38.000 0.096 0.000 1.071 1216 I HN 0.136 nan 8.210 nan 0.000 0.419 1217 K N 1.106 121.578 120.400 0.120 0.000 2.155 1217 K HA -0.194 4.122 4.320 -0.006 0.000 0.203 1217 K C 2.141 178.817 176.600 0.126 0.000 1.052 1217 K CA 1.235 57.614 56.287 0.154 0.000 0.948 1217 K CB 0.048 32.640 32.500 0.153 0.000 0.728 1217 K HN 0.474 nan 8.250 nan 0.000 0.448 1218 Q N -1.037 118.804 119.800 0.067 0.000 2.432 1218 Q HA -0.001 4.335 4.340 -0.006 0.000 0.205 1218 Q C 0.991 176.981 176.000 -0.015 0.000 0.945 1218 Q CA 1.002 56.823 55.803 0.030 0.000 0.924 1218 Q CB 0.309 29.052 28.738 0.008 0.000 1.016 1218 Q HN 0.051 nan 8.270 nan 0.000 0.503 1219 T N 0.269 114.799 114.554 -0.039 0.000 2.809 1219 T HA 0.031 4.377 4.350 -0.006 0.000 0.260 1219 T C 0.917 175.420 174.700 -0.328 0.000 1.039 1219 T CA 1.099 63.061 62.100 -0.231 0.000 1.141 1219 T CB -0.138 68.510 68.868 -0.366 0.000 0.869 1219 T HN 0.307 nan 8.240 nan 0.000 0.437 1220 F N 0.626 120.584 119.950 0.013 0.000 2.505 1220 F HA 0.358 4.882 4.527 -0.006 0.000 0.289 1220 F C 1.330 177.135 175.800 0.008 0.000 1.101 1220 F CA -0.224 57.784 58.000 0.015 0.000 1.446 1220 F CB 0.007 39.024 39.000 0.027 0.000 1.123 1220 F HN -0.015 nan 8.300 nan 0.000 0.564 1221 K N -0.146 120.367 120.400 0.189 0.000 4.789 1221 K HA -0.319 3.997 4.320 -0.006 0.000 0.215 1221 K C -0.150 176.488 176.600 0.062 0.000 1.488 1221 K CA 1.343 57.690 56.287 0.099 0.000 0.622 1221 K CB -1.328 31.200 32.500 0.047 0.000 0.708 1221 K HN 0.106 nan 8.250 nan 0.000 0.620 1222 N N 2.033 120.717 118.700 -0.027 0.000 2.484 1222 N HA 0.035 4.771 4.740 -0.006 0.000 0.245 1222 N C -0.494 174.933 175.510 -0.137 0.000 1.184 1222 N CA 0.537 53.477 53.050 -0.183 0.000 0.884 1222 N CB 0.093 38.414 38.487 -0.277 0.000 1.182 1222 N HN 0.348 nan 8.380 nan 0.000 0.493 1223 D N -1.100 119.293 120.400 -0.013 0.000 2.525 1223 D HA 0.117 4.753 4.640 -0.006 0.000 0.231 1223 D C -0.320 176.003 176.300 0.038 0.000 1.216 1223 D CA -0.228 53.780 54.000 0.012 0.000 0.813 1223 D CB 0.239 41.064 40.800 0.042 0.000 1.108 1223 D HN 0.007 nan 8.370 nan 0.000 0.524 1224 L N 0.563 121.829 121.223 0.072 0.000 2.410 1224 L HA 0.574 4.911 4.340 -0.006 0.000 0.270 1224 L C -1.847 175.148 176.870 0.208 0.000 0.983 1224 L CA -1.006 53.876 54.840 0.070 0.000 0.822 1224 L CB 2.291 44.310 42.059 -0.067 0.000 1.285 1224 L HN -0.054 nan 8.230 nan 0.000 0.409 1225 F N 6.142 126.138 119.950 0.076 0.000 2.388 1225 F HA 0.679 5.202 4.527 -0.006 0.000 0.358 1225 F C -0.542 175.309 175.800 0.084 0.000 1.122 1225 F CA -0.564 57.511 58.000 0.124 0.000 1.056 1225 F CB 1.226 40.295 39.000 0.115 0.000 1.155 1225 F HN 0.249 nan 8.300 nan 0.000 0.461 1226 V N 5.409 125.126 119.914 -0.329 0.000 2.656 1226 V HA 0.746 4.862 4.120 -0.006 0.000 0.307 1226 V C -0.644 175.256 176.094 -0.323 0.000 1.051 1226 V CA -0.878 61.343 62.300 -0.132 0.000 0.893 1226 V CB 1.508 33.412 31.823 0.136 0.000 0.999 1226 V HN 0.659 nan 8.190 nan 0.000 0.426 1227 I N 3.686 124.144 120.570 -0.186 0.000 2.828 1227 I HA 0.850 5.016 4.170 -0.006 0.000 0.302 1227 I C -0.990 175.130 176.117 0.005 0.000 1.101 1227 I CA -0.477 60.572 61.300 -0.419 0.000 1.031 1227 I CB 2.399 40.143 38.000 -0.426 0.000 1.231 1227 I HN 0.982 nan 8.210 nan 0.000 0.427 1228 W N 2.503 123.722 121.300 -0.134 0.000 3.167 1228 W HA 0.763 5.420 4.660 -0.006 0.000 0.324 1228 W C -0.640 175.877 176.519 -0.005 0.000 1.230 1228 W CA -0.981 56.336 57.345 -0.047 0.000 1.184 1228 W CB 0.466 29.907 29.460 -0.032 0.000 1.414 1228 W HN 0.567 nan 8.180 nan 0.000 0.551 1229 S N 0.327 116.149 115.700 0.203 0.000 2.634 1229 S HA 0.431 4.898 4.470 -0.006 0.000 0.261 1229 S C -0.043 174.669 174.600 0.187 0.000 1.271 1229 S CA -0.655 57.619 58.200 0.123 0.000 0.985 1229 S CB 0.926 64.181 63.200 0.092 0.000 0.968 1229 S HN 0.627 nan 8.310 nan 0.000 0.568 1230 E N 0.043 120.314 120.200 0.117 0.000 2.371 1230 E HA 0.153 4.499 4.350 -0.006 0.000 0.257 1230 E C -0.102 176.561 176.600 0.105 0.000 1.134 1230 E CA -0.267 56.204 56.400 0.118 0.000 0.919 1230 E CB 0.315 30.057 29.700 0.069 0.000 1.025 1230 E HN 0.644 nan 8.360 nan 0.000 0.438 1231 D N 0.384 120.840 120.400 0.093 0.000 2.269 1231 D HA -0.114 4.522 4.640 -0.006 0.000 0.208 1231 D C 1.274 177.602 176.300 0.046 0.000 0.963 1231 D CA 0.632 54.670 54.000 0.064 0.000 0.864 1231 D CB 0.014 40.845 40.800 0.052 0.000 0.936 1231 D HN 0.287 nan 8.370 nan 0.000 0.505 1232 N N 0.383 119.110 118.700 0.045 0.000 2.396 1232 N HA -0.082 4.654 4.740 -0.006 0.000 0.180 1232 N C -0.219 175.308 175.510 0.030 0.000 1.028 1232 N CA 0.503 53.572 53.050 0.032 0.000 0.893 1232 N CB 0.156 38.660 38.487 0.028 0.000 0.967 1232 N HN -0.002 nan 8.380 nan 0.000 0.440 1233 D N -0.383 120.039 120.400 0.037 0.000 2.363 1233 D HA -0.030 4.606 4.640 -0.006 0.000 0.240 1233 D C 1.400 177.718 176.300 0.030 0.000 1.236 1233 D CA 0.088 54.107 54.000 0.033 0.000 0.927 1233 D CB 0.495 41.320 40.800 0.041 0.000 1.150 1233 D HN 0.368 nan 8.370 nan 0.000 0.458 1234 E N 0.307 120.522 120.200 0.025 0.000 2.046 1234 E HA -0.083 4.263 4.350 -0.006 0.000 0.190 1234 E C -0.123 176.492 176.600 0.026 0.000 0.982 1234 E CA 0.862 57.275 56.400 0.022 0.000 0.800 1234 E CB 0.168 29.878 29.700 0.017 0.000 0.756 1234 E HN 0.185 nan 8.360 nan 0.000 0.449 1235 K N 0.919 121.338 120.400 0.030 0.000 2.443 1235 K HA 0.404 4.720 4.320 -0.006 0.000 0.252 1235 K C -1.103 175.524 176.600 0.045 0.000 0.933 1235 K CA -0.533 55.775 56.287 0.034 0.000 0.792 1235 K CB 2.301 34.820 32.500 0.031 0.000 1.185 1235 K HN -0.008 nan 8.250 nan 0.000 0.425 1236 L N 4.901 126.153 121.223 0.049 0.000 2.361 1236 L HA 0.417 4.754 4.340 -0.006 0.000 0.278 1236 L C -0.309 176.603 176.870 0.069 0.000 1.113 1236 L CA -0.171 54.707 54.840 0.063 0.000 0.849 1236 L CB -0.110 41.980 42.059 0.052 0.000 1.155 1236 L HN 0.424 nan 8.230 nan 0.000 0.452 1237 I N 4.580 125.203 120.570 0.088 0.000 2.569 1237 I HA 0.460 4.626 4.170 -0.006 0.000 0.290 1237 I C -0.574 175.618 176.117 0.124 0.000 1.088 1237 I CA -0.331 61.023 61.300 0.089 0.000 1.047 1237 I CB 2.457 40.497 38.000 0.066 0.000 1.237 1237 I HN 0.427 nan 8.210 nan 0.000 0.421 1238 I N 5.536 126.176 120.570 0.117 0.000 2.436 1238 I HA 0.510 4.677 4.170 -0.006 0.000 0.289 1238 I C -0.418 175.769 176.117 0.117 0.000 1.010 1238 I CA -0.530 60.855 61.300 0.142 0.000 1.098 1238 I CB 1.611 39.679 38.000 0.114 0.000 1.266 1238 I HN 0.457 nan 8.210 nan 0.000 0.434 1239 R N 5.080 125.648 120.500 0.113 0.000 2.562 1239 R HA 0.787 5.123 4.340 -0.006 0.000 0.298 1239 R C -1.248 175.114 176.300 0.104 0.000 0.961 1239 R CA -0.573 55.587 56.100 0.101 0.000 0.881 1239 R CB 1.945 32.293 30.300 0.080 0.000 1.159 1239 R HN 0.789 nan 8.270 nan 0.000 0.450 1240 C N 0.434 119.803 119.300 0.115 0.000 2.994 1240 C HA 0.751 5.208 4.460 -0.006 0.000 0.304 1240 C C -0.543 174.533 174.990 0.144 0.000 1.273 1240 C CA -1.283 57.805 59.018 0.117 0.000 1.537 1240 C CB 1.950 29.724 27.740 0.057 0.000 2.001 1240 C HN 0.860 nan 8.230 nan 0.000 0.471 1241 R N 0.461 121.067 120.500 0.176 0.000 2.774 1241 R HA 0.861 5.197 4.340 -0.006 0.000 0.272 1241 R C -1.725 174.649 176.300 0.122 0.000 1.000 1241 R CA -0.589 55.607 56.100 0.161 0.000 0.906 1241 R CB 2.491 32.891 30.300 0.167 0.000 1.227 1241 R HN 0.667 nan 8.270 nan 0.000 0.468 1242 V N 1.459 121.429 119.914 0.094 0.000 2.735 1242 V HA 0.755 4.871 4.120 -0.006 0.000 0.310 1242 V C -0.800 175.334 176.094 0.066 0.000 1.061 1242 V CA -0.753 61.581 62.300 0.056 0.000 0.913 1242 V CB 1.933 33.767 31.823 0.019 0.000 1.005 1242 V HN 0.523 nan 8.190 nan 0.000 0.428 1243 V N 4.491 124.433 119.914 0.047 0.000 3.177 1243 V HA 0.724 4.840 4.120 -0.006 0.000 0.287 1243 V C -1.747 174.360 176.094 0.021 0.000 1.465 1243 V CA -0.735 61.588 62.300 0.038 0.000 1.020 1243 V CB 2.589 34.431 31.823 0.031 0.000 1.152 1243 V HN 1.045 nan 8.190 nan 0.000 0.448 1244 R N 3.853 124.365 120.500 0.020 0.000 3.107 1244 R HA 0.560 4.897 4.340 -0.006 0.000 0.251 1244 R C -2.902 173.405 176.300 0.011 0.000 1.818 1244 R CA -0.978 55.127 56.100 0.009 0.000 1.228 1244 R CB 0.428 30.734 30.300 0.011 0.000 1.459 1244 R HN 0.610 nan 8.270 nan 0.000 0.520 1255 E N 0.063 120.298 120.200 0.059 0.000 4.156 1255 E HA -0.179 4.167 4.350 -0.006 0.000 0.158 1255 E C -0.101 176.503 176.600 0.006 0.000 1.861 1255 E CA 0.982 57.397 56.400 0.026 0.000 0.926 1255 E CB -0.795 28.912 29.700 0.010 0.000 1.062 1255 E HN 0.793 nan 8.360 nan 0.000 0.347 1256 E N 0.841 121.016 120.200 -0.041 0.000 2.490 1256 E HA -0.010 4.337 4.350 -0.006 0.000 0.209 1256 E C 0.583 177.034 176.600 -0.249 0.000 0.971 1256 E CA 0.126 56.480 56.400 -0.075 0.000 0.988 1256 E CB 0.283 30.016 29.700 0.055 0.000 1.029 1256 E HN 0.341 nan 8.360 nan 0.000 0.496 1257 D N 0.307 120.446 120.400 -0.434 0.000 2.219 1257 D HA -0.138 4.499 4.640 -0.006 0.000 0.205 1257 D C 1.630 177.764 176.300 -0.276 0.000 0.970 1257 D CA 0.876 54.556 54.000 -0.534 0.000 0.851 1257 D CB 0.046 40.438 40.800 -0.680 0.000 0.943 1257 D HN 0.142 nan 8.370 nan 0.000 0.488 1258 H N -0.606 118.343 119.070 -0.202 0.000 2.462 1258 H HA 0.111 4.663 4.556 -0.006 0.000 0.292 1258 H C 1.723 176.994 175.328 -0.094 0.000 1.049 1258 H CA 0.783 56.755 56.048 -0.125 0.000 1.334 1258 H CB 0.195 29.902 29.762 -0.091 0.000 1.404 1258 H HN 0.202 nan 8.280 nan 0.000 0.544 1259 M N -0.506 119.111 119.600 0.027 0.000 2.534 1259 M HA -0.024 4.452 4.480 -0.006 0.000 0.263 1259 M C 1.672 177.959 176.300 -0.022 0.000 1.152 1259 M CA 0.263 55.572 55.300 0.015 0.000 1.145 1259 M CB 0.332 32.942 32.600 0.016 0.000 1.333 1259 M HN 0.086 nan 8.290 nan 0.000 0.477 1260 L N 0.593 121.775 121.223 -0.068 0.000 2.362 1260 L HA -0.111 4.226 4.340 -0.006 0.000 0.219 1260 L C 2.056 178.889 176.870 -0.061 0.000 1.134 1260 L CA 1.502 56.303 54.840 -0.065 0.000 0.807 1260 L CB -0.369 41.637 42.059 -0.088 0.000 0.927 1260 L HN 0.205 nan 8.230 nan 0.000 0.447 1261 K N -0.999 119.354 120.400 -0.079 0.000 2.262 1261 K HA -0.051 4.265 4.320 -0.006 0.000 0.200 1261 K C 1.909 178.493 176.600 -0.027 0.000 1.049 1261 K CA 0.468 56.714 56.287 -0.069 0.000 0.979 1261 K CB 0.221 32.649 32.500 -0.119 0.000 0.773 1261 K HN 0.215 nan 8.250 nan 0.000 0.474 1262 K N 0.702 121.098 120.400 -0.006 0.000 2.288 1262 K HA -0.052 4.265 4.320 -0.006 0.000 0.201 1262 K C 1.893 178.520 176.600 0.046 0.000 1.048 1262 K CA 1.189 57.491 56.287 0.026 0.000 0.956 1262 K CB 0.033 32.559 32.500 0.043 0.000 0.746 1262 K HN 0.320 nan 8.250 nan 0.000 0.461 1263 I N -2.243 118.350 120.570 0.038 0.000 3.427 1263 I HA 0.037 4.204 4.170 -0.006 0.000 0.288 1263 I C 2.127 178.283 176.117 0.066 0.000 1.249 1263 I CA 0.480 61.822 61.300 0.069 0.000 1.421 1263 I CB -0.016 37.977 38.000 -0.012 0.000 1.086 1263 I HN -0.039 nan 8.210 nan 0.000 0.448 1264 E N 2.783 123.001 120.200 0.030 0.000 2.077 1264 E HA -0.238 4.108 4.350 -0.006 0.000 0.193 1264 E C 1.496 178.123 176.600 0.044 0.000 0.989 1264 E CA 1.917 58.335 56.400 0.030 0.000 0.800 1264 E CB -0.145 29.560 29.700 0.008 0.000 0.746 1264 E HN 0.721 nan 8.360 nan 0.000 0.452 1265 N N -0.737 117.987 118.700 0.040 0.000 2.300 1265 N HA -0.061 4.675 4.740 -0.006 0.000 0.179 1265 N C 1.670 177.215 175.510 0.058 0.000 1.016 1265 N CA 1.546 54.619 53.050 0.038 0.000 0.876 1265 N CB -0.016 38.486 38.487 0.025 0.000 0.979 1265 N HN 0.068 nan 8.380 nan 0.000 0.432 1266 T N 0.584 115.191 114.554 0.087 0.000 2.867 1266 T HA -0.009 4.337 4.350 -0.006 0.000 0.268 1266 T C 1.804 176.586 174.700 0.137 0.000 1.057 1266 T CA 0.845 63.012 62.100 0.113 0.000 1.136 1266 T CB -0.051 68.917 68.868 0.167 0.000 0.874 1266 T HN 0.215 nan 8.240 nan 0.000 0.466 1267 M N 0.395 120.096 119.600 0.168 0.000 2.123 1267 M HA 0.108 4.584 4.480 -0.006 0.000 0.263 1267 M C 2.098 178.455 176.300 0.095 0.000 1.069 1267 M CA 1.400 56.802 55.300 0.170 0.000 1.133 1267 M CB -0.429 32.271 32.600 0.167 0.000 1.356 1267 M HN 0.204 nan 8.290 nan 0.000 0.415 1268 L N -0.609 120.655 121.223 0.069 0.000 2.291 1268 L HA -0.126 4.211 4.340 -0.006 0.000 0.214 1268 L C 1.684 178.575 176.870 0.035 0.000 1.120 1268 L CA 0.968 55.835 54.840 0.045 0.000 0.799 1268 L CB -0.168 41.911 42.059 0.034 0.000 0.925 1268 L HN 0.343 nan 8.230 nan 0.000 0.446 1269 E N -1.549 118.673 120.200 0.037 0.000 2.508 1269 E HA 0.063 4.409 4.350 -0.006 0.000 0.217 1269 E C 0.823 177.442 176.600 0.033 0.000 0.896 1269 E CA -0.051 56.362 56.400 0.023 0.000 1.118 1269 E CB 0.439 30.146 29.700 0.011 0.000 1.133 1269 E HN 0.336 nan 8.360 nan 0.000 0.526 1270 N N 0.435 119.158 118.700 0.037 0.000 2.294 1270 N HA 0.166 4.902 4.740 -0.006 0.000 0.186 1270 N C 0.251 175.771 175.510 0.016 0.000 1.107 1270 N CA 0.238 53.303 53.050 0.025 0.000 0.884 1270 N CB 1.037 39.527 38.487 0.005 0.000 1.030 1270 N HN 0.062 nan 8.380 nan 0.000 0.482 1271 I N 1.898 122.482 120.570 0.024 0.000 2.337 1271 I HA 0.083 4.249 4.170 -0.006 0.000 0.291 1271 I C 0.114 176.250 176.117 0.031 0.000 1.046 1271 I CA -0.320 60.984 61.300 0.007 0.000 1.324 1271 I CB 0.715 38.725 38.000 0.017 0.000 1.409 1271 I HN -0.016 nan 8.210 nan 0.000 0.494 1272 T N 4.114 118.670 114.554 0.003 0.000 2.744 1272 T HA 0.381 4.728 4.350 -0.006 0.000 0.291 1272 T C 0.781 175.459 174.700 -0.037 0.000 0.957 1272 T CA -0.759 61.332 62.100 -0.014 0.000 1.002 1272 T CB 1.761 70.562 68.868 -0.111 0.000 0.919 1272 T HN 0.300 nan 8.240 nan 0.000 0.468 1273 L N 1.707 122.918 121.223 -0.020 0.000 2.049 1273 L HA 0.356 4.692 4.340 -0.006 0.000 0.203 1273 L C 1.503 178.344 176.870 -0.049 0.000 1.074 1273 L CA 1.257 56.076 54.840 -0.034 0.000 0.749 1273 L CB -0.309 41.736 42.059 -0.022 0.000 0.907 1273 L HN 0.751 nan 8.230 nan 0.000 0.439 1274 R N -1.127 119.343 120.500 -0.050 0.000 2.522 1274 R HA 0.498 4.835 4.340 -0.006 0.000 0.273 1274 R C -0.873 175.383 176.300 -0.074 0.000 1.133 1274 R CA 0.265 56.331 56.100 -0.055 0.000 0.969 1274 R CB 1.136 31.414 30.300 -0.037 0.000 1.235 1274 R HN 0.241 nan 8.270 nan 0.000 0.433 1275 G N 1.202 109.949 108.800 -0.089 0.000 2.362 1275 G HA2 -0.041 3.916 3.960 -0.006 0.000 0.517 1275 G HA3 -0.041 3.916 3.960 -0.006 0.000 0.517 1275 G C -1.740 173.066 174.900 -0.156 0.000 1.256 1275 G CA -0.433 44.607 45.100 -0.100 0.000 1.027 1275 G HN 0.502 nan 8.290 nan 0.000 0.491 1276 V N 1.004 120.832 119.914 -0.143 0.000 2.667 1276 V HA 0.604 4.720 4.120 -0.006 0.000 0.308 1276 V C 0.755 176.738 176.094 -0.185 0.000 1.048 1276 V CA 0.002 62.217 62.300 -0.141 0.000 0.928 1276 V CB 1.505 33.291 31.823 -0.061 0.000 1.004 1276 V HN 1.188 nan 8.190 nan 0.000 0.444 1277 E N 3.363 123.466 120.200 -0.162 0.000 2.408 1277 E HA 0.121 4.467 4.350 -0.006 0.000 0.259 1277 E C 0.214 176.894 176.600 0.134 0.000 1.110 1277 E CA -0.270 56.127 56.400 -0.004 0.000 0.929 1277 E CB 0.060 29.788 29.700 0.046 0.000 0.971 1277 E HN 0.577 nan 8.360 nan 0.000 0.438 1278 N N -0.148 118.699 118.700 0.246 0.000 2.714 1278 N HA -0.196 4.540 4.740 -0.006 0.000 0.250 1278 N C -1.092 174.472 175.510 0.089 0.000 1.117 1278 N CA 1.259 54.379 53.050 0.117 0.000 0.719 1278 N CB -1.227 37.293 38.487 0.055 0.000 1.081 1278 N HN 0.554 nan 8.380 nan 0.000 0.557 1279 I N 0.818 121.467 120.570 0.132 0.000 2.493 1279 I HA 0.226 4.393 4.170 -0.006 0.000 0.279 1279 I C 0.015 176.193 176.117 0.101 0.000 1.045 1279 I CA -0.280 61.070 61.300 0.084 0.000 1.106 1279 I CB 1.394 39.427 38.000 0.055 0.000 1.216 1279 I HN -0.070 nan 8.210 nan 0.000 0.459 1280 E N 4.972 125.208 120.200 0.060 0.000 2.320 1280 E HA 0.631 4.977 4.350 -0.006 0.000 0.264 1280 E C -0.819 175.796 176.600 0.025 0.000 0.923 1280 E CA -1.183 55.244 56.400 0.045 0.000 0.796 1280 E CB 1.641 31.347 29.700 0.011 0.000 1.262 1280 E HN 0.285 nan 8.360 nan 0.000 0.428 1281 R N -0.073 120.432 120.500 0.009 0.000 2.730 1281 R HA -0.138 4.198 4.340 -0.006 0.000 0.290 1281 R C -1.199 175.107 176.300 0.010 0.000 0.964 1281 R CA -0.114 55.971 56.100 -0.024 0.000 0.782 1281 R CB -1.565 28.710 30.300 -0.042 0.000 2.060 1281 R HN 0.173 nan 8.270 nan 0.000 0.503 1282 V N 3.467 123.410 119.914 0.048 0.000 2.383 1282 V HA 0.370 4.486 4.120 -0.006 0.000 0.275 1282 V C 0.647 176.800 176.094 0.099 0.000 1.036 1282 V CA -0.590 61.754 62.300 0.074 0.000 0.889 1282 V CB 1.883 33.756 31.823 0.083 0.000 0.985 1282 V HN 0.245 nan 8.190 nan 0.000 0.459 1283 V N 6.104 126.068 119.914 0.084 0.000 2.459 1283 V HA 0.453 4.569 4.120 -0.006 0.000 0.295 1283 V C 0.146 176.305 176.094 0.108 0.000 1.029 1283 V CA -0.595 61.763 62.300 0.096 0.000 0.874 1283 V CB 1.754 33.616 31.823 0.066 0.000 0.985 1283 V HN 0.807 nan 8.190 nan 0.000 0.438 1284 M N 5.792 125.465 119.600 0.121 0.000 2.185 1284 M HA 0.510 4.986 4.480 -0.006 0.000 0.357 1284 M C -0.605 175.834 176.300 0.231 0.000 1.260 1284 M CA 0.367 55.767 55.300 0.167 0.000 1.124 1284 M CB 0.958 33.603 32.600 0.075 0.000 1.600 1284 M HN 0.422 nan 8.290 nan 0.000 0.467 1285 M N 2.848 122.588 119.600 0.233 0.000 2.324 1285 M HA 0.300 4.776 4.480 -0.006 0.000 0.288 1285 M C -0.846 175.303 176.300 -0.251 0.000 1.097 1285 M CA -0.485 54.762 55.300 -0.088 0.000 0.928 1285 M CB 2.358 34.668 32.600 -0.484 0.000 1.648 1285 M HN 0.547 nan 8.290 nan 0.000 0.460 1286 K N 3.002 123.009 120.400 -0.656 0.000 2.229 1286 K HA 0.316 4.632 4.320 -0.006 0.000 0.247 1286 K C -1.336 174.941 176.600 -0.538 0.000 1.117 1286 K CA -0.122 55.585 56.287 -0.967 0.000 1.036 1286 K CB 0.261 31.838 32.500 -1.538 0.000 1.654 1286 K HN 0.411 nan 8.250 nan 0.000 0.405 1287 Y N 0.971 121.144 120.300 -0.213 0.000 2.326 1287 Y HA 0.054 4.600 4.550 -0.006 0.000 0.333 1287 Y C 0.788 176.638 175.900 -0.083 0.000 1.240 1287 Y CA -0.110 57.931 58.100 -0.098 0.000 1.365 1287 Y CB 0.655 39.105 38.460 -0.018 0.000 1.289 1287 Y HN 0.427 nan 8.280 nan 0.000 0.548 1288 D N 2.677 123.173 120.400 0.161 0.000 2.225 1288 D HA 0.260 4.897 4.640 -0.006 0.000 0.248 1288 D C -0.383 175.981 176.300 0.108 0.000 1.096 1288 D CA -0.169 53.882 54.000 0.086 0.000 0.863 1288 D CB 1.119 41.955 40.800 0.059 0.000 1.156 1288 D HN 0.379 nan 8.370 nan 0.000 0.450 1289 R N 2.268 122.822 120.500 0.090 0.000 2.538 1289 R HA 0.216 4.552 4.340 -0.006 0.000 0.292 1289 R C -0.830 175.526 176.300 0.093 0.000 1.008 1289 R CA -0.700 55.458 56.100 0.096 0.000 0.896 1289 R CB 1.539 31.905 30.300 0.110 0.000 1.187 1289 R HN 0.244 nan 8.270 nan 0.000 0.440 1290 K N 2.567 123.041 120.400 0.122 0.000 2.258 1290 K HA 0.339 4.655 4.320 -0.006 0.000 0.284 1290 K C -0.925 175.791 176.600 0.193 0.000 1.051 1290 K CA -0.369 56.028 56.287 0.183 0.000 0.923 1290 K CB 1.889 34.539 32.500 0.250 0.000 1.046 1290 K HN 0.214 nan 8.250 nan 0.000 0.474 1291 V N 5.217 125.170 119.914 0.065 0.000 2.733 1291 V HA 0.336 4.452 4.120 -0.006 0.000 0.306 1291 V C -2.546 173.346 176.094 -0.337 0.000 1.084 1291 V CA -2.429 59.806 62.300 -0.108 0.000 0.905 1291 V CB 2.235 34.028 31.823 -0.049 0.000 1.010 1291 V HN 0.622 nan 8.190 nan 0.000 0.424 1292 P HA 0.073 nan 4.420 nan 0.000 0.262 1292 P C -0.151 176.990 177.300 -0.266 0.000 1.199 1292 P CA 0.654 63.397 63.100 -0.595 0.000 0.763 1292 P CB 0.765 32.129 31.700 -0.560 0.000 0.790 1293 S N 5.029 120.618 115.700 -0.184 0.000 2.585 1293 S HA 0.194 4.660 4.470 -0.006 0.000 0.273 1293 S C -0.927 173.624 174.600 -0.082 0.000 1.339 1293 S CA -1.494 56.648 58.200 -0.098 0.000 1.028 1293 S CB -0.094 63.072 63.200 -0.057 0.000 0.906 1293 S HN 0.298 nan 8.310 nan 0.000 0.528 1294 P HA -0.118 nan 4.420 nan 0.000 0.218 1294 P C 1.329 178.611 177.300 -0.029 0.000 1.146 1294 P CA 1.270 64.345 63.100 -0.041 0.000 0.820 1294 P CB -0.265 31.418 31.700 -0.028 0.000 0.778 1295 T N -2.599 111.941 114.554 -0.023 0.000 3.023 1295 T HA 0.180 4.526 4.350 -0.006 0.000 0.266 1295 T C 1.445 176.143 174.700 -0.003 0.000 1.093 1295 T CA 1.695 63.792 62.100 -0.005 0.000 1.129 1295 T CB -0.554 68.316 68.868 0.004 0.000 0.899 1295 T HN 0.311 nan 8.240 nan 0.000 0.491 1296 G N 0.411 109.194 108.800 -0.028 0.000 2.316 1296 G HA2 -0.143 3.813 3.960 -0.006 0.000 0.203 1296 G HA3 -0.143 3.813 3.960 -0.006 0.000 0.203 1296 G C -0.143 174.744 174.900 -0.022 0.000 0.999 1296 G CA -0.122 44.960 45.100 -0.031 0.000 0.649 1296 G HN 0.576 nan 8.290 nan 0.000 0.489 1297 E N -0.019 120.180 120.200 -0.002 0.000 2.373 1297 E HA 0.354 4.700 4.350 -0.006 0.000 0.267 1297 E C -0.674 175.929 176.600 0.006 0.000 1.032 1297 E CA -0.505 55.918 56.400 0.039 0.000 0.889 1297 E CB 0.672 30.397 29.700 0.041 0.000 0.984 1297 E HN 0.312 nan 8.360 nan 0.000 0.425 1298 Y N 2.273 122.579 120.300 0.009 0.000 2.620 1298 Y HA 0.087 4.634 4.550 -0.006 0.000 0.352 1298 Y C -0.295 175.610 175.900 0.009 0.000 1.140 1298 Y CA -0.231 57.875 58.100 0.009 0.000 1.529 1298 Y CB 0.131 38.598 38.460 0.012 0.000 1.321 1298 Y HN 0.197 nan 8.280 nan 0.000 0.501 1299 V N 4.205 124.156 119.914 0.061 0.000 2.532 1299 V HA 0.242 4.358 4.120 -0.006 0.000 0.295 1299 V C -0.193 175.933 176.094 0.053 0.000 1.041 1299 V CA -1.574 60.756 62.300 0.051 0.000 0.926 1299 V CB 1.648 33.480 31.823 0.014 0.000 0.992 1299 V HN 0.471 nan 8.190 nan 0.000 0.457 1300 K N 3.381 123.812 120.400 0.052 0.000 2.315 1300 K HA 0.234 4.550 4.320 -0.006 0.000 0.291 1300 K C -0.104 176.511 176.600 0.025 0.000 1.074 1300 K CA 0.123 56.437 56.287 0.046 0.000 0.936 1300 K CB 0.576 33.098 32.500 0.037 0.000 1.049 1300 K HN 0.652 nan 8.250 nan 0.000 0.471 1301 E N 5.387 125.603 120.200 0.025 0.000 2.073 1301 E HA 0.163 4.509 4.350 -0.006 0.000 0.269 1301 E C -2.257 174.350 176.600 0.011 0.000 0.917 1301 E CA -2.523 53.886 56.400 0.014 0.000 0.757 1301 E CB 0.830 30.538 29.700 0.013 0.000 1.111 1301 E HN 0.286 nan 8.360 nan 0.000 0.410 1302 P HA 0.008 nan 4.420 nan 0.000 0.271 1302 P C -1.270 175.987 177.300 -0.070 0.000 1.226 1302 P CA 0.171 63.229 63.100 -0.070 0.000 0.765 1302 P CB 0.502 32.124 31.700 -0.130 0.000 0.835 1303 E N 2.527 122.696 120.200 -0.052 0.000 2.248 1303 E HA 0.342 4.688 4.350 -0.006 0.000 0.267 1303 E C -1.239 175.357 176.600 -0.006 0.000 0.877 1303 E CA -0.982 55.433 56.400 0.025 0.000 0.759 1303 E CB 0.936 30.716 29.700 0.134 0.000 1.182 1303 E HN 0.264 nan 8.360 nan 0.000 0.418 1304 W N 2.329 123.675 121.300 0.078 0.000 2.216 1304 W HA 0.380 5.037 4.660 -0.006 0.000 0.326 1304 W C -0.516 176.036 176.519 0.056 0.000 1.319 1304 W CA -0.165 57.210 57.345 0.050 0.000 1.213 1304 W CB 1.188 30.666 29.460 0.030 0.000 1.171 1304 W HN 0.258 nan 8.180 nan 0.000 0.557 1305 V N 5.200 125.295 119.914 0.301 0.000 2.760 1305 V HA 0.404 4.520 4.120 -0.006 0.000 0.309 1305 V C -0.277 175.906 176.094 0.148 0.000 1.077 1305 V CA -1.192 61.190 62.300 0.137 0.000 0.910 1305 V CB 1.624 33.493 31.823 0.076 0.000 1.008 1305 V HN 0.283 nan 8.190 nan 0.000 0.424 1306 L N 3.611 124.873 121.223 0.065 0.000 2.325 1306 L HA 0.682 5.018 4.340 -0.006 0.000 0.279 1306 L C -0.069 176.837 176.870 0.060 0.000 1.054 1306 L CA -0.349 54.537 54.840 0.076 0.000 0.804 1306 L CB 1.293 43.388 42.059 0.059 0.000 1.200 1306 L HN 0.594 nan 8.230 nan 0.000 0.436 1307 E N 0.915 121.167 120.200 0.087 0.000 2.246 1307 E HA 0.363 4.709 4.350 -0.006 0.000 0.266 1307 E C -0.831 175.809 176.600 0.066 0.000 0.880 1307 E CA -0.384 56.065 56.400 0.082 0.000 0.762 1307 E CB 2.827 32.601 29.700 0.123 0.000 1.180 1307 E HN 0.589 nan 8.360 nan 0.000 0.416 1308 T N 0.616 115.201 114.554 0.052 0.000 2.906 1308 T HA 0.258 4.604 4.350 -0.006 0.000 0.283 1308 T C -1.026 173.694 174.700 0.032 0.000 1.098 1308 T CA -0.240 61.885 62.100 0.041 0.000 0.960 1308 T CB 0.745 69.636 68.868 0.038 0.000 1.776 1308 T HN 0.409 nan 8.240 nan 0.000 0.594 1309 D N -0.351 120.064 120.400 0.025 0.000 2.823 1309 D HA 0.525 5.161 4.640 -0.006 0.000 0.255 1309 D C -0.544 175.765 176.300 0.014 0.000 1.257 1309 D CA 0.322 54.332 54.000 0.017 0.000 0.803 1309 D CB 0.082 40.889 40.800 0.011 0.000 1.384 1309 D HN 0.969 nan 8.370 nan 0.000 0.541 1310 G N -0.304 108.502 108.800 0.011 0.000 2.358 1310 G HA2 0.352 4.308 3.960 -0.006 0.000 0.303 1310 G HA3 0.352 4.308 3.960 -0.006 0.000 0.303 1310 G C -1.664 173.237 174.900 0.001 0.000 1.537 1310 G CA -0.607 44.497 45.100 0.008 0.000 0.928 1310 G HN 0.229 nan 8.290 nan 0.000 0.656 1311 V N 0.150 120.059 119.914 -0.007 0.000 2.417 1311 V HA 0.761 4.877 4.120 -0.006 0.000 0.291 1311 V C 0.330 176.418 176.094 -0.010 0.000 1.024 1311 V CA -0.622 61.667 62.300 -0.017 0.000 0.861 1311 V CB 1.751 33.552 31.823 -0.038 0.000 0.985 1311 V HN 0.885 nan 8.190 nan 0.000 0.436 1312 N N 2.143 120.838 118.700 -0.008 0.000 2.570 1312 N HA 0.161 4.897 4.740 -0.006 0.000 0.261 1312 N C 0.752 176.259 175.510 -0.005 0.000 1.540 1312 N CA -0.195 52.852 53.050 -0.006 0.000 0.959 1312 N CB 0.367 38.855 38.487 0.001 0.000 1.449 1312 N HN 0.646 nan 8.380 nan 0.000 0.519 1313 L N 0.735 121.953 121.223 -0.008 0.000 2.034 1313 L HA -0.245 4.091 4.340 -0.006 0.000 0.217 1313 L C 2.222 179.095 176.870 0.004 0.000 1.077 1313 L CA 2.644 57.484 54.840 0.000 0.000 0.769 1313 L CB -0.711 41.346 42.059 -0.003 0.000 0.890 1313 L HN 0.462 nan 8.230 nan 0.000 0.435 1314 S N -1.795 113.905 115.700 -0.000 0.000 2.440 1314 S HA -0.163 4.303 4.470 -0.006 0.000 0.238 1314 S C 1.632 176.231 174.600 -0.001 0.000 1.010 1314 S CA 1.361 59.562 58.200 0.000 0.000 0.972 1314 S CB -0.525 62.673 63.200 -0.003 0.000 0.774 1314 S HN 0.658 nan 8.310 nan 0.000 0.501 1315 E N 0.559 120.757 120.200 -0.003 0.000 2.389 1315 E HA 0.163 4.509 4.350 -0.006 0.000 0.199 1315 E C 2.082 178.680 176.600 -0.003 0.000 0.978 1315 E CA 0.513 56.908 56.400 -0.008 0.000 0.912 1315 E CB 0.024 29.714 29.700 -0.016 0.000 0.907 1315 E HN 0.503 nan 8.360 nan 0.000 0.494 1316 V N 1.445 121.362 119.914 0.004 0.000 2.548 1316 V HA -0.134 3.982 4.120 -0.006 0.000 0.249 1316 V C 2.460 178.567 176.094 0.021 0.000 1.055 1316 V CA 1.239 63.547 62.300 0.013 0.000 1.065 1316 V CB -0.511 31.324 31.823 0.020 0.000 0.681 1316 V HN 0.187 nan 8.190 nan 0.000 0.462 1317 M N 1.314 120.927 119.600 0.022 0.000 2.213 1317 M HA -0.165 4.311 4.480 -0.006 0.000 0.263 1317 M C 2.259 178.571 176.300 0.020 0.000 1.062 1317 M CA 2.148 57.465 55.300 0.028 0.000 1.105 1317 M CB -0.278 32.337 32.600 0.025 0.000 1.385 1317 M HN 0.642 nan 8.290 nan 0.000 0.417 1318 T N -2.174 112.386 114.554 0.011 0.000 3.023 1318 T HA 0.074 4.421 4.350 -0.006 0.000 0.266 1318 T C 0.699 175.401 174.700 0.003 0.000 1.093 1318 T CA -0.012 62.091 62.100 0.005 0.000 1.129 1318 T CB -0.946 67.920 68.868 -0.002 0.000 0.899 1318 T HN 0.156 nan 8.240 nan 0.000 0.491 1319 V N 5.267 125.184 119.914 0.005 0.000 2.539 1319 V HA 0.134 4.250 4.120 -0.006 0.000 0.300 1319 V C -1.674 174.422 176.094 0.004 0.000 1.019 1319 V CA -1.342 60.960 62.300 0.003 0.000 1.160 1319 V CB -0.278 31.549 31.823 0.007 0.000 0.901 1319 V HN 0.452 nan 8.190 nan 0.000 0.481 1320 P HA 0.289 nan 4.420 nan 0.000 0.275 1320 P C 0.704 177.997 177.300 -0.012 0.000 1.228 1320 P CA 0.710 63.804 63.100 -0.010 0.000 0.786 1320 P CB 1.141 32.830 31.700 -0.018 0.000 0.927 1321 G N 1.548 110.337 108.800 -0.018 0.000 2.131 1321 G HA2 -0.178 3.778 3.960 -0.006 0.000 0.223 1321 G HA3 -0.178 3.778 3.960 -0.006 0.000 0.223 1321 G C 0.024 174.932 174.900 0.014 0.000 0.990 1321 G CA 0.267 45.352 45.100 -0.026 0.000 0.671 1321 G HN 0.759 nan 8.290 nan 0.000 0.521 1322 I N -3.592 116.998 120.570 0.033 0.000 3.264 1322 I HA 0.867 5.033 4.170 -0.006 0.000 0.309 1322 I C -0.820 175.344 176.117 0.078 0.000 1.099 1322 I CA -1.480 59.862 61.300 0.070 0.000 0.989 1322 I CB 1.862 39.907 38.000 0.075 0.000 1.250 1322 I HN -0.116 nan 8.210 nan 0.000 0.478 1323 D N 2.971 123.438 120.400 0.112 0.000 2.396 1323 D HA 0.373 5.009 4.640 -0.006 0.000 0.225 1323 D C -2.082 174.270 176.300 0.087 0.000 1.121 1323 D CA -2.197 51.860 54.000 0.095 0.000 0.853 1323 D CB 1.257 42.121 40.800 0.107 0.000 1.043 1323 D HN 0.334 nan 8.370 nan 0.000 0.500 1324 P HA 0.169 nan 4.420 nan 0.000 0.243 1324 P C 0.149 177.473 177.300 0.040 0.000 1.668 1324 P CA -0.033 63.098 63.100 0.052 0.000 0.898 1324 P CB 0.529 32.250 31.700 0.036 0.000 1.637 1325 T N -1.770 112.807 114.554 0.037 0.000 3.105 1325 T HA 0.155 4.501 4.350 -0.006 0.000 0.257 1325 T C 1.551 176.250 174.700 -0.002 0.000 0.949 1325 T CA 0.061 62.167 62.100 0.010 0.000 0.959 1325 T CB 0.346 69.207 68.868 -0.011 0.000 1.205 1325 T HN 0.071 nan 8.240 nan 0.000 0.496 1326 R N 0.699 121.191 120.500 -0.014 0.000 2.362 1326 R HA 0.421 4.757 4.340 -0.006 0.000 0.227 1326 R C 0.464 176.816 176.300 0.087 0.000 0.905 1326 R CA -0.193 55.839 56.100 -0.113 0.000 1.067 1326 R CB 0.126 30.172 30.300 -0.424 0.000 1.078 1326 R HN 0.368 nan 8.270 nan 0.000 0.516 1327 I N 1.638 122.328 120.570 0.199 0.000 2.741 1327 I HA -0.091 4.075 4.170 -0.006 0.000 0.288 1327 I C -1.155 175.136 176.117 0.291 0.000 1.192 1327 I CA 0.390 61.856 61.300 0.277 0.000 1.426 1327 I CB 0.226 38.331 38.000 0.175 0.000 1.367 1327 I HN 0.072 nan 8.210 nan 0.000 0.563 1328 Y N 6.449 126.854 120.300 0.177 0.000 2.442 1328 Y HA 0.509 5.056 4.550 -0.006 0.000 0.344 1328 Y C -0.981 174.987 175.900 0.114 0.000 0.976 1328 Y CA -0.579 57.603 58.100 0.136 0.000 1.040 1328 Y CB 1.814 40.365 38.460 0.152 0.000 1.228 1328 Y HN 0.575 nan 8.280 nan 0.000 0.451 1329 T N 5.143 119.315 114.554 -0.636 0.000 2.863 1329 T HA 0.170 4.516 4.350 -0.006 0.000 0.285 1329 T C 0.711 174.927 174.700 -0.808 0.000 1.009 1329 T CA -0.833 60.953 62.100 -0.524 0.000 0.989 1329 T CB 1.177 69.913 68.868 -0.220 0.000 1.004 1329 T HN 0.758 nan 8.240 nan 0.000 0.455 1330 N N 0.688 119.136 118.700 -0.419 0.000 2.331 1330 N HA -0.080 4.656 4.740 -0.006 0.000 0.180 1330 N C 0.923 176.427 175.510 -0.009 0.000 1.019 1330 N CA 0.367 53.315 53.050 -0.170 0.000 0.881 1330 N CB -0.217 38.265 38.487 -0.008 0.000 0.972 1330 N HN 0.427 nan 8.380 nan 0.000 0.435 1331 S N 0.794 116.449 115.700 -0.074 0.000 2.686 1331 S HA 0.094 4.560 4.470 -0.006 0.000 0.324 1331 S C 0.788 175.328 174.600 -0.100 0.000 1.172 1331 S CA -0.826 57.315 58.200 -0.099 0.000 1.127 1331 S CB -1.227 61.899 63.200 -0.124 0.000 1.338 1331 S HN 0.335 nan 8.310 nan 0.000 0.547 1332 F N 4.036 123.963 119.950 -0.038 0.000 2.365 1332 F HA 0.056 4.579 4.527 -0.006 0.000 0.300 1332 F C 1.525 177.327 175.800 0.004 0.000 1.090 1332 F CA 0.246 58.242 58.000 -0.005 0.000 1.408 1332 F CB -0.453 38.569 39.000 0.036 0.000 1.060 1332 F HN 0.425 nan 8.300 nan 0.000 0.534 1333 I N 2.050 122.210 120.570 -0.682 0.000 2.151 1333 I HA -0.298 3.868 4.170 -0.006 0.000 0.243 1333 I C 1.657 177.675 176.117 -0.165 0.000 1.080 1333 I CA 1.960 63.004 61.300 -0.426 0.000 1.339 1333 I CB -1.109 36.616 38.000 -0.459 0.000 1.039 1333 I HN 0.203 nan 8.210 nan 0.000 0.409 1334 D N 0.363 120.679 120.400 -0.141 0.000 2.224 1334 D HA -0.043 4.594 4.640 -0.006 0.000 0.205 1334 D C 2.287 178.571 176.300 -0.026 0.000 0.965 1334 D CA 0.614 54.572 54.000 -0.071 0.000 0.852 1334 D CB 0.013 40.771 40.800 -0.069 0.000 0.947 1334 D HN 0.313 nan 8.370 nan 0.000 0.494 1335 I N 0.313 120.880 120.570 -0.005 0.000 2.353 1335 I HA -0.177 3.990 4.170 -0.006 0.000 0.248 1335 I C 2.261 178.415 176.117 0.061 0.000 1.119 1335 I CA 0.634 61.961 61.300 0.044 0.000 1.417 1335 I CB -0.155 37.897 38.000 0.086 0.000 1.078 1335 I HN 0.104 nan 8.210 nan 0.000 0.421 1336 M N 0.777 120.418 119.600 0.069 0.000 2.175 1336 M HA -0.198 4.278 4.480 -0.006 0.000 0.264 1336 M C 1.977 178.299 176.300 0.038 0.000 1.063 1336 M CA 1.898 57.242 55.300 0.073 0.000 1.119 1336 M CB -0.486 32.173 32.600 0.098 0.000 1.377 1336 M HN 0.236 nan 8.290 nan 0.000 0.415 1337 E N -0.962 119.246 120.200 0.013 0.000 2.150 1337 E HA -0.136 4.210 4.350 -0.006 0.000 0.193 1337 E C 1.890 178.496 176.600 0.010 0.000 0.985 1337 E CA 1.331 57.734 56.400 0.004 0.000 0.814 1337 E CB 0.275 29.968 29.700 -0.013 0.000 0.752 1337 E HN 0.398 nan 8.360 nan 0.000 0.466 1338 V N 0.049 119.972 119.914 0.014 0.000 2.908 1338 V HA -0.008 4.109 4.120 -0.006 0.000 0.240 1338 V C 1.648 177.756 176.094 0.023 0.000 1.117 1338 V CA 0.472 62.781 62.300 0.015 0.000 1.133 1338 V CB 0.123 31.954 31.823 0.013 0.000 0.857 1338 V HN 0.149 nan 8.190 nan 0.000 0.478 1339 L N 1.020 122.263 121.223 0.033 0.000 2.629 1339 L HA 0.544 4.880 4.340 -0.006 0.000 0.230 1339 L C 1.035 177.929 176.870 0.039 0.000 1.151 1339 L CA 0.580 55.443 54.840 0.038 0.000 0.924 1339 L CB -0.559 41.531 42.059 0.053 0.000 1.137 1339 L HN 0.528 nan 8.230 nan 0.000 0.457 1340 G N 0.485 109.306 108.800 0.036 0.000 2.756 1340 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.678 1340 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.678 1340 G C 0.325 175.254 174.900 0.048 0.000 1.349 1340 G CA -0.056 45.065 45.100 0.035 0.000 0.847 1340 G HN 0.105 nan 8.290 nan 0.000 0.548 1341 I N -0.396 120.201 120.570 0.045 0.000 2.286 1341 I HA -0.030 4.136 4.170 -0.006 0.000 0.245 1341 I C 2.424 178.575 176.117 0.057 0.000 1.104 1341 I CA 1.864 63.197 61.300 0.055 0.000 1.397 1341 I CB -0.171 37.857 38.000 0.047 0.000 1.072 1341 I HN 0.656 nan 8.210 nan 0.000 0.417 1342 E N 1.160 121.386 120.200 0.044 0.000 2.077 1342 E HA -0.206 4.140 4.350 -0.006 0.000 0.193 1342 E C 2.174 178.800 176.600 0.043 0.000 0.989 1342 E CA 1.512 57.934 56.400 0.037 0.000 0.800 1342 E CB -0.224 29.490 29.700 0.023 0.000 0.746 1342 E HN 0.634 nan 8.360 nan 0.000 0.452 1343 A N 0.679 123.530 122.820 0.051 0.000 1.968 1343 A HA -0.004 4.312 4.320 -0.006 0.000 0.217 1343 A C 2.416 180.062 177.584 0.104 0.000 1.169 1343 A CA 1.541 53.619 52.037 0.068 0.000 0.638 1343 A CB -0.754 18.284 19.000 0.064 0.000 0.812 1343 A HN 0.322 nan 8.150 nan 0.000 0.446 1344 G N -0.189 108.677 108.800 0.109 0.000 2.422 1344 G HA2 -0.268 3.688 3.960 -0.006 0.000 0.218 1344 G HA3 -0.268 3.688 3.960 -0.006 0.000 0.218 1344 G C 1.731 176.721 174.900 0.150 0.000 1.146 1344 G CA 1.001 46.194 45.100 0.156 0.000 0.769 1344 G HN 0.555 nan 8.290 nan 0.000 0.547 1345 R N 0.744 121.302 120.500 0.097 0.000 2.073 1345 R HA -0.011 4.325 4.340 -0.006 0.000 0.234 1345 R C 2.800 179.145 176.300 0.076 0.000 1.134 1345 R CA 1.646 57.781 56.100 0.059 0.000 0.952 1345 R CB -0.561 29.760 30.300 0.034 0.000 0.850 1345 R HN 0.251 nan 8.270 nan 0.000 0.433 1346 A N 0.762 123.637 122.820 0.091 0.000 1.978 1346 A HA -0.097 4.219 4.320 -0.006 0.000 0.220 1346 A C 2.346 180.044 177.584 0.191 0.000 1.170 1346 A CA 1.737 53.850 52.037 0.127 0.000 0.636 1346 A CB -0.629 18.420 19.000 0.083 0.000 0.810 1346 A HN 0.586 nan 8.150 nan 0.000 0.448 1347 A N -0.741 122.198 122.820 0.198 0.000 1.929 1347 A HA 0.069 4.385 4.320 -0.006 0.000 0.216 1347 A C 2.083 179.776 177.584 0.182 0.000 1.176 1347 A CA 1.560 53.772 52.037 0.291 0.000 0.628 1347 A CB -0.484 18.710 19.000 0.324 0.000 0.816 1347 A HN 0.625 nan 8.150 nan 0.000 0.444 1348 L N -1.452 119.775 121.223 0.006 0.000 2.027 1348 L HA -0.105 4.231 4.340 -0.006 0.000 0.206 1348 L C 2.296 179.099 176.870 -0.111 0.000 1.074 1348 L CA 2.360 57.012 54.840 -0.313 0.000 0.745 1348 L CB -1.010 40.733 42.059 -0.526 0.000 0.898 1348 L HN 0.536 nan 8.230 nan 0.000 0.433 1349 Y N 0.208 120.455 120.300 -0.088 0.000 2.128 1349 Y HA -0.250 4.296 4.550 -0.006 0.000 0.284 1349 Y C 2.511 178.440 175.900 0.048 0.000 1.154 1349 Y CA 2.081 60.159 58.100 -0.037 0.000 1.149 1349 Y CB -0.234 38.201 38.460 -0.041 0.000 0.976 1349 Y HN 0.083 nan 8.280 nan 0.000 0.505 1350 K N 0.451 120.856 120.400 0.009 0.000 2.147 1350 K HA -0.211 4.105 4.320 -0.006 0.000 0.205 1350 K C 1.937 178.561 176.600 0.040 0.000 1.049 1350 K CA 1.696 57.965 56.287 -0.030 0.000 0.936 1350 K CB -0.085 32.451 32.500 0.060 0.000 0.722 1350 K HN 0.437 nan 8.250 nan 0.000 0.446 1351 E N 0.019 120.262 120.200 0.072 0.000 2.076 1351 E HA -0.060 4.286 4.350 -0.006 0.000 0.190 1351 E C 1.879 178.478 176.600 -0.001 0.000 0.979 1351 E CA 0.737 57.189 56.400 0.086 0.000 0.807 1351 E CB -0.018 29.744 29.700 0.104 0.000 0.761 1351 E HN -0.057 nan 8.360 nan 0.000 0.454 1352 V N 0.730 120.600 119.914 -0.073 0.000 2.332 1352 V HA -0.276 3.841 4.120 -0.006 0.000 0.248 1352 V C 2.136 178.179 176.094 -0.085 0.000 1.055 1352 V CA 2.158 64.406 62.300 -0.085 0.000 1.038 1352 V CB -0.753 31.011 31.823 -0.098 0.000 0.651 1352 V HN 0.417 nan 8.190 nan 0.000 0.450 1353 Y N 2.004 122.127 120.300 -0.294 0.000 2.128 1353 Y HA -0.253 4.293 4.550 -0.006 0.000 0.284 1353 Y C 2.247 178.080 175.900 -0.112 0.000 1.154 1353 Y CA 2.177 60.120 58.100 -0.262 0.000 1.149 1353 Y CB -0.403 37.789 38.460 -0.446 0.000 0.976 1353 Y HN 0.312 nan 8.280 nan 0.000 0.505 1354 N N -0.484 118.182 118.700 -0.057 0.000 2.573 1354 N HA -0.095 4.641 4.740 -0.006 0.000 0.187 1354 N C 1.478 176.934 175.510 -0.090 0.000 1.107 1354 N CA 1.021 54.026 53.050 -0.076 0.000 0.918 1354 N CB -0.052 38.471 38.487 0.060 0.000 0.966 1354 N HN 0.308 nan 8.380 nan 0.000 0.448 1355 V N -0.002 119.856 119.914 -0.095 0.000 2.426 1355 V HA 0.009 4.126 4.120 -0.006 0.000 0.242 1355 V C 1.898 177.931 176.094 -0.100 0.000 1.036 1355 V CA 0.939 63.197 62.300 -0.069 0.000 1.044 1355 V CB -0.177 31.621 31.823 -0.041 0.000 0.688 1355 V HN 0.173 nan 8.190 nan 0.000 0.462 1356 I N 0.959 121.443 120.570 -0.144 0.000 2.333 1356 I HA -0.076 4.090 4.170 -0.006 0.000 0.246 1356 I C 2.573 178.583 176.117 -0.179 0.000 1.106 1356 I CA 1.371 62.588 61.300 -0.137 0.000 1.411 1356 I CB -0.597 37.331 38.000 -0.121 0.000 1.082 1356 I HN 0.228 nan 8.210 nan 0.000 0.420 1357 A N 0.856 123.467 122.820 -0.349 0.000 2.121 1357 A HA -0.144 4.172 4.320 -0.006 0.000 0.218 1357 A C 2.402 179.872 177.584 -0.189 0.000 1.154 1357 A CA 1.684 53.500 52.037 -0.368 0.000 0.679 1357 A CB -0.672 17.801 19.000 -0.879 0.000 0.795 1357 A HN 0.532 nan 8.150 nan 0.000 0.458 1358 S N -0.591 115.020 115.700 -0.148 0.000 2.489 1358 S HA -0.035 4.431 4.470 -0.006 0.000 0.228 1358 S C 0.314 174.889 174.600 -0.041 0.000 0.995 1358 S CA 0.960 59.118 58.200 -0.071 0.000 0.934 1358 S CB -0.263 62.908 63.200 -0.048 0.000 0.771 1358 S HN 0.443 nan 8.310 nan 0.000 0.522 1359 D N 1.316 121.688 120.400 -0.046 0.000 2.491 1359 D HA 0.425 5.061 4.640 -0.006 0.000 0.228 1359 D C 1.026 177.321 176.300 -0.009 0.000 1.183 1359 D CA 0.416 54.403 54.000 -0.022 0.000 0.827 1359 D CB 0.061 40.847 40.800 -0.022 0.000 0.989 1359 D HN 0.434 nan 8.370 nan 0.000 0.494 1360 G N 0.313 109.108 108.800 -0.008 0.000 2.225 1360 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.267 1360 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.267 1360 G C 0.210 175.129 174.900 0.031 0.000 1.024 1360 G CA 0.287 45.394 45.100 0.011 0.000 0.784 1360 G HN 0.319 nan 8.290 nan 0.000 0.507 1361 S N -0.972 114.744 115.700 0.028 0.000 2.521 1361 S HA 0.621 5.087 4.470 -0.006 0.000 0.295 1361 S C -0.904 173.761 174.600 0.109 0.000 1.098 1361 S CA -0.689 57.548 58.200 0.061 0.000 0.999 1361 S CB 2.051 65.266 63.200 0.025 0.000 1.034 1361 S HN 0.634 nan 8.310 nan 0.000 0.483 1362 Y N 2.785 123.104 120.300 0.032 0.000 2.341 1362 Y HA 0.702 5.248 4.550 -0.006 0.000 0.337 1362 Y C -1.075 174.892 175.900 0.113 0.000 1.014 1362 Y CA -0.673 57.473 58.100 0.077 0.000 1.111 1362 Y CB 0.779 39.296 38.460 0.094 0.000 1.194 1362 Y HN 0.417 nan 8.280 nan 0.000 0.462 1363 V N 6.221 125.843 119.914 -0.487 0.000 2.789 1363 V HA 0.261 4.377 4.120 -0.006 0.000 0.311 1363 V C -0.277 175.527 176.094 -0.483 0.000 1.073 1363 V CA -1.426 60.654 62.300 -0.366 0.000 0.921 1363 V CB 1.822 33.599 31.823 -0.078 0.000 1.009 1363 V HN 0.866 nan 8.190 nan 0.000 0.426 1364 N N 1.282 119.850 118.700 -0.219 0.000 2.453 1364 N HA -0.011 4.726 4.740 -0.006 0.000 0.253 1364 N C 0.784 176.350 175.510 0.095 0.000 1.252 1364 N CA 0.221 53.245 53.050 -0.044 0.000 0.917 1364 N CB 0.764 39.279 38.487 0.047 0.000 1.117 1364 N HN 0.788 nan 8.380 nan 0.000 0.442 1365 Y N 4.354 124.678 120.300 0.040 0.000 2.081 1365 Y HA -0.287 4.259 4.550 -0.006 0.000 0.280 1365 Y C 2.411 178.289 175.900 -0.036 0.000 1.163 1365 Y CA 2.419 60.556 58.100 0.062 0.000 1.135 1365 Y CB -0.064 38.396 38.460 -0.001 0.000 0.970 1365 Y HN 0.655 nan 8.280 nan 0.000 0.498 1366 R N -0.947 119.449 120.500 -0.172 0.000 2.119 1366 R HA -0.248 4.088 4.340 -0.006 0.000 0.246 1366 R C 1.884 178.042 176.300 -0.237 0.000 1.146 1366 R CA 1.949 57.844 56.100 -0.342 0.000 0.962 1366 R CB -1.420 28.564 30.300 -0.528 0.000 0.863 1366 R HN 0.465 nan 8.270 nan 0.000 0.442 1367 H N 0.947 120.015 119.070 -0.004 0.000 2.293 1367 H HA 0.009 4.561 4.556 -0.006 0.000 0.300 1367 H C 2.279 177.592 175.328 -0.024 0.000 1.082 1367 H CA 1.880 57.938 56.048 0.017 0.000 1.308 1367 H CB -0.304 29.471 29.762 0.021 0.000 1.375 1367 H HN 0.260 nan 8.280 nan 0.000 0.495 1368 M N 0.097 119.757 119.600 0.099 0.000 2.229 1368 M HA -0.020 4.456 4.480 -0.006 0.000 0.264 1368 M C 2.643 178.945 176.300 0.003 0.000 1.063 1368 M CA 1.119 56.470 55.300 0.086 0.000 1.114 1368 M CB -0.072 32.642 32.600 0.190 0.000 1.387 1368 M HN 0.212 nan 8.290 nan 0.000 0.420 1369 A N 0.186 122.858 122.820 -0.247 0.000 1.969 1369 A HA -0.101 4.215 4.320 -0.006 0.000 0.218 1369 A C 2.089 179.538 177.584 -0.225 0.000 1.169 1369 A CA 1.135 52.887 52.037 -0.476 0.000 0.635 1369 A CB -0.593 17.763 19.000 -1.074 0.000 0.810 1369 A HN 0.429 nan 8.150 nan 0.000 0.445 1370 L N -0.896 120.256 121.223 -0.118 0.000 2.023 1370 L HA -0.052 4.284 4.340 -0.006 0.000 0.205 1370 L C 2.302 179.142 176.870 -0.051 0.000 1.073 1370 L CA 1.626 56.441 54.840 -0.043 0.000 0.745 1370 L CB -0.389 41.693 42.059 0.037 0.000 0.900 1370 L HN 0.381 nan 8.230 nan 0.000 0.435 1371 L N -1.172 120.027 121.223 -0.040 0.000 2.012 1371 L HA -0.184 4.152 4.340 -0.006 0.000 0.210 1371 L C 2.427 179.263 176.870 -0.056 0.000 1.073 1371 L CA 1.973 56.781 54.840 -0.054 0.000 0.748 1371 L CB -0.791 41.242 42.059 -0.042 0.000 0.891 1371 L HN 0.151 nan 8.230 nan 0.000 0.431 1372 V N -0.413 119.474 119.914 -0.046 0.000 2.594 1372 V HA -0.242 3.874 4.120 -0.006 0.000 0.253 1372 V C 2.108 178.173 176.094 -0.047 0.000 1.069 1372 V CA 2.128 64.403 62.300 -0.042 0.000 1.082 1372 V CB -0.519 31.305 31.823 0.002 0.000 0.680 1372 V HN 0.563 nan 8.190 nan 0.000 0.469 1373 D N -0.460 119.904 120.400 -0.060 0.000 2.120 1373 D HA -0.079 4.557 4.640 -0.006 0.000 0.202 1373 D C 2.152 178.425 176.300 -0.045 0.000 0.972 1373 D CA 1.516 55.485 54.000 -0.051 0.000 0.837 1373 D CB -0.165 40.597 40.800 -0.062 0.000 0.989 1373 D HN 0.378 nan 8.370 nan 0.000 0.469 1374 V N 1.221 121.101 119.914 -0.057 0.000 2.469 1374 V HA -0.225 3.891 4.120 -0.006 0.000 0.251 1374 V C 2.416 178.487 176.094 -0.039 0.000 1.064 1374 V CA 1.246 63.509 62.300 -0.061 0.000 1.066 1374 V CB -0.430 31.337 31.823 -0.093 0.000 0.667 1374 V HN 0.228 nan 8.190 nan 0.000 0.461 1375 M N -1.095 118.486 119.600 -0.032 0.000 2.492 1375 M HA -0.083 4.394 4.480 -0.006 0.000 0.262 1375 M C 2.062 178.377 176.300 0.025 0.000 1.090 1375 M CA 1.553 56.853 55.300 -0.000 0.000 1.110 1375 M CB -0.129 32.466 32.600 -0.008 0.000 1.407 1375 M HN 0.383 nan 8.290 nan 0.000 0.470 1376 T N -1.043 113.518 114.554 0.012 0.000 2.955 1376 T HA 0.014 4.360 4.350 -0.006 0.000 0.251 1376 T C 1.646 176.359 174.700 0.021 0.000 1.002 1376 T CA 1.035 63.153 62.100 0.029 0.000 0.970 1376 T CB 0.015 68.902 68.868 0.031 0.000 1.091 1376 T HN 0.448 nan 8.240 nan 0.000 0.495 1377 T N 0.257 114.812 114.554 0.002 0.000 2.778 1377 T HA -0.146 4.200 4.350 -0.006 0.000 0.269 1377 T C 1.728 176.430 174.700 0.004 0.000 1.050 1377 T CA 1.250 63.347 62.100 -0.005 0.000 1.137 1377 T CB -0.452 68.395 68.868 -0.035 0.000 0.860 1377 T HN 0.381 nan 8.240 nan 0.000 0.468 1378 Q N 0.828 120.634 119.800 0.009 0.000 2.415 1378 Q HA 0.282 4.618 4.340 -0.006 0.000 0.206 1378 Q C 1.659 177.671 176.000 0.021 0.000 0.946 1378 Q CA 0.417 56.227 55.803 0.013 0.000 0.951 1378 Q CB -0.371 28.377 28.738 0.016 0.000 1.026 1378 Q HN 0.809 nan 8.270 nan 0.000 0.510 1379 G N -1.275 107.541 108.800 0.026 0.000 2.611 1379 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.208 1379 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.208 1379 G C 0.451 175.373 174.900 0.035 0.000 1.201 1379 G CA -0.249 44.869 45.100 0.029 0.000 0.739 1379 G HN 0.559 nan 8.290 nan 0.000 0.528 1380 G N -0.250 108.573 108.800 0.038 0.000 2.882 1380 G HA2 0.592 4.548 3.960 -0.006 0.000 0.164 1380 G HA3 0.592 4.548 3.960 -0.006 0.000 0.164 1380 G C -0.279 174.659 174.900 0.062 0.000 1.429 1380 G CA -0.413 44.714 45.100 0.045 0.000 1.059 1380 G HN 0.805 nan 8.290 nan 0.000 0.581 1381 L N 1.477 122.745 121.223 0.074 0.000 2.356 1381 L HA 0.278 4.615 4.340 -0.006 0.000 0.264 1381 L C -0.225 176.700 176.870 0.092 0.000 1.029 1381 L CA -0.488 54.413 54.840 0.103 0.000 0.897 1381 L CB 1.344 43.498 42.059 0.158 0.000 1.256 1381 L HN 0.313 nan 8.230 nan 0.000 0.444 1382 T N 0.490 115.091 114.554 0.078 0.000 2.771 1382 T HA 0.100 4.447 4.350 -0.006 0.000 0.277 1382 T C 0.721 175.485 174.700 0.107 0.000 0.919 1382 T CA -0.157 61.993 62.100 0.084 0.000 1.163 1382 T CB 0.066 68.979 68.868 0.074 0.000 0.876 1382 T HN 0.417 nan 8.240 nan 0.000 0.545 1383 S N 2.149 117.922 115.700 0.122 0.000 2.584 1383 S HA 0.141 4.607 4.470 -0.006 0.000 0.270 1383 S C 0.996 175.717 174.600 0.202 0.000 1.346 1383 S CA -0.879 57.404 58.200 0.139 0.000 1.018 1383 S CB 0.658 63.937 63.200 0.131 0.000 0.899 1383 S HN 0.554 nan 8.310 nan 0.000 0.542 1384 V N 3.136 123.146 119.914 0.159 0.000 2.052 1384 V HA 0.241 4.357 4.120 -0.006 0.000 0.281 1384 V C 0.132 176.373 176.094 0.246 0.000 1.668 1384 V CA -0.033 62.375 62.300 0.181 0.000 1.621 1384 V CB -1.477 30.339 31.823 -0.011 0.000 1.488 1384 V HN 0.920 nan 8.190 nan 0.000 0.513 1385 T N -0.327 114.378 114.554 0.250 0.000 2.816 1385 T HA 0.329 4.675 4.350 -0.006 0.000 0.299 1385 T C 0.931 175.507 174.700 -0.206 0.000 1.230 1385 T CA -0.787 61.369 62.100 0.094 0.000 1.007 1385 T CB 2.405 71.363 68.868 0.150 0.000 1.289 1385 T HN 0.304 nan 8.240 nan 0.000 0.508 1386 R N 0.136 120.539 120.500 -0.162 0.000 2.117 1386 R HA -0.185 4.152 4.340 -0.006 0.000 0.243 1386 R C 1.496 177.559 176.300 -0.394 0.000 1.143 1386 R CA 1.873 57.778 56.100 -0.326 0.000 0.968 1386 R CB -0.293 29.906 30.300 -0.168 0.000 0.863 1386 R HN 0.667 nan 8.270 nan 0.000 0.444 1387 H N -1.176 117.833 119.070 -0.103 0.000 2.502 1387 H HA 0.073 4.625 4.556 -0.006 0.000 0.283 1387 H C 1.613 176.881 175.328 -0.100 0.000 1.015 1387 H CA 0.995 56.995 56.048 -0.080 0.000 1.298 1387 H CB 0.102 29.850 29.762 -0.023 0.000 1.411 1387 H HN 0.440 nan 8.280 nan 0.000 0.556 1388 G N 1.096 109.889 108.800 -0.012 0.000 2.620 1388 G HA2 -0.093 3.864 3.960 -0.006 0.000 0.200 1388 G HA3 -0.093 3.864 3.960 -0.006 0.000 0.200 1388 G C 1.327 176.191 174.900 -0.060 0.000 1.710 1388 G CA 0.395 45.504 45.100 0.015 0.000 0.919 1388 G HN 0.350 nan 8.290 nan 0.000 0.455 1389 F N 0.808 120.698 119.950 -0.100 0.000 2.269 1389 F HA 0.086 4.609 4.527 -0.006 0.000 0.301 1389 F C 1.774 177.488 175.800 -0.143 0.000 1.082 1389 F CA 1.285 59.215 58.000 -0.117 0.000 1.360 1389 F CB -0.584 38.333 39.000 -0.138 0.000 1.041 1389 F HN 0.174 nan 8.300 nan 0.000 0.512 1390 N N 0.277 118.330 118.700 -1.079 0.000 2.515 1390 N HA -0.021 4.715 4.740 -0.006 0.000 0.191 1390 N C 1.677 176.962 175.510 -0.376 0.000 1.182 1390 N CA -0.015 52.529 53.050 -0.844 0.000 0.879 1390 N CB -0.162 37.694 38.487 -1.051 0.000 0.984 1390 N HN 0.323 nan 8.380 nan 0.000 0.453 1391 R N -0.039 120.311 120.500 -0.249 0.000 2.282 1391 R HA 0.104 4.441 4.340 -0.006 0.000 0.195 1391 R C 0.295 176.547 176.300 -0.081 0.000 0.909 1391 R CA 0.035 56.056 56.100 -0.133 0.000 1.039 1391 R CB 0.195 30.445 30.300 -0.084 0.000 1.015 1391 R HN 0.203 nan 8.270 nan 0.000 0.513 1392 S N 0.501 116.162 115.700 -0.065 0.000 2.606 1392 S HA 0.042 4.508 4.470 -0.006 0.000 0.257 1392 S C 0.656 175.239 174.600 -0.028 0.000 1.327 1392 S CA -0.468 57.717 58.200 -0.024 0.000 0.984 1392 S CB 0.461 63.668 63.200 0.011 0.000 0.941 1392 S HN 0.224 nan 8.310 nan 0.000 0.576 1393 N N 0.643 119.333 118.700 -0.017 0.000 2.571 1393 N HA 0.024 4.761 4.740 -0.006 0.000 0.189 1393 N C 0.131 175.632 175.510 -0.016 0.000 1.154 1393 N CA 0.375 53.414 53.050 -0.019 0.000 0.907 1393 N CB -1.006 37.472 38.487 -0.014 0.000 0.977 1393 N HN 0.651 nan 8.380 nan 0.000 0.449 1394 T N 0.093 114.641 114.554 -0.010 0.000 2.855 1394 T HA 0.206 4.552 4.350 -0.006 0.000 0.322 1394 T C 1.212 175.909 174.700 -0.005 0.000 1.088 1394 T CA -0.307 61.793 62.100 0.001 0.000 1.104 1394 T CB 0.485 69.366 68.868 0.021 0.000 0.996 1394 T HN 0.231 nan 8.240 nan 0.000 0.549 1395 G N 0.056 108.862 108.800 0.009 0.000 2.257 1395 G HA2 0.274 4.230 3.960 -0.006 0.000 0.235 1395 G HA3 0.274 4.230 3.960 -0.006 0.000 0.235 1395 G C 1.140 176.043 174.900 0.006 0.000 1.225 1395 G CA -0.234 44.878 45.100 0.020 0.000 0.878 1395 G HN 0.969 nan 8.290 nan 0.000 0.505 1396 A N 2.631 125.455 122.820 0.006 0.000 1.902 1396 A HA -0.049 4.267 4.320 -0.006 0.000 0.217 1396 A C 2.402 179.935 177.584 -0.084 0.000 1.181 1396 A CA 1.300 53.283 52.037 -0.091 0.000 0.623 1396 A CB -0.297 18.581 19.000 -0.203 0.000 0.818 1396 A HN 0.625 nan 8.150 nan 0.000 0.443 1397 L N -1.177 120.079 121.223 0.055 0.000 2.291 1397 L HA -0.064 4.272 4.340 -0.006 0.000 0.214 1397 L C 2.695 179.592 176.870 0.045 0.000 1.120 1397 L CA 0.931 55.820 54.840 0.082 0.000 0.799 1397 L CB -0.167 42.002 42.059 0.183 0.000 0.925 1397 L HN 0.550 nan 8.230 nan 0.000 0.446 1398 M N -0.676 118.948 119.600 0.040 0.000 2.193 1398 M HA -0.160 4.316 4.480 -0.006 0.000 0.265 1398 M C 2.351 178.679 176.300 0.048 0.000 1.071 1398 M CA 1.497 56.825 55.300 0.046 0.000 1.140 1398 M CB -0.017 32.611 32.600 0.046 0.000 1.369 1398 M HN 0.103 nan 8.290 nan 0.000 0.423 1399 R N -0.140 120.366 120.500 0.011 0.000 2.120 1399 R HA -0.184 4.152 4.340 -0.006 0.000 0.234 1399 R C 2.446 178.748 176.300 0.004 0.000 1.123 1399 R CA 1.651 57.742 56.100 -0.016 0.000 0.975 1399 R CB -0.884 29.370 30.300 -0.077 0.000 0.866 1399 R HN 0.677 nan 8.270 nan 0.000 0.446 1400 C N 0.413 119.704 119.300 -0.015 0.000 2.432 1400 C HA 0.024 4.481 4.460 -0.006 0.000 0.282 1400 C C 2.246 177.257 174.990 0.034 0.000 1.388 1400 C CA 0.299 59.305 59.018 -0.020 0.000 1.777 1400 C CB -1.032 26.666 27.740 -0.069 0.000 1.882 1400 C HN 0.374 nan 8.230 nan 0.000 0.520 1401 S N -1.330 114.411 115.700 0.070 0.000 3.009 1401 S HA 0.252 4.718 4.470 -0.006 0.000 0.243 1401 S C -0.333 174.365 174.600 0.164 0.000 1.012 1401 S CA -0.101 58.151 58.200 0.087 0.000 1.113 1401 S CB -1.116 62.134 63.200 0.082 0.000 0.827 1401 S HN 0.672 nan 8.310 nan 0.000 0.495 1402 F N 0.976 120.922 119.950 -0.007 0.000 3.164 1402 F HA 0.344 4.867 4.527 -0.006 0.000 0.375 1402 F C 0.453 176.237 175.800 -0.028 0.000 1.257 1402 F CA -1.055 56.948 58.000 0.004 0.000 1.171 1402 F CB 0.416 39.425 39.000 0.015 0.000 1.588 1402 F HN 0.275 nan 8.300 nan 0.000 0.604 1403 E N 1.046 121.233 120.200 -0.022 0.000 4.340 1403 E HA -0.343 4.003 4.350 -0.006 0.000 0.194 1403 E C 1.166 177.779 176.600 0.023 0.000 1.304 1403 E CA 2.115 58.518 56.400 0.005 0.000 2.260 1403 E CB -0.638 29.116 29.700 0.090 0.000 1.882 1403 E HN 0.672 nan 8.360 nan 0.000 0.326 1404 E N 0.236 120.466 120.200 0.049 0.000 2.110 1404 E HA -0.215 4.131 4.350 -0.006 0.000 0.193 1404 E C 1.793 178.382 176.600 -0.019 0.000 0.988 1404 E CA 2.120 58.521 56.400 0.001 0.000 0.804 1404 E CB -0.568 29.117 29.700 -0.025 0.000 0.745 1404 E HN 0.686 nan 8.360 nan 0.000 0.458 1405 T N -0.113 114.426 114.554 -0.025 0.000 13.229 1405 T HA -0.386 3.960 4.350 -0.006 0.000 0.419 1405 T C 1.873 176.498 174.700 -0.125 0.000 1.441 1405 T CA 3.491 65.553 62.100 -0.062 0.000 2.359 1405 T CB -1.943 66.893 68.868 -0.054 0.000 2.807 1405 T HN 0.171 nan 8.240 nan 0.000 0.623 1406 V N 0.625 120.457 119.914 -0.137 0.000 2.295 1406 V HA -0.076 4.040 4.120 -0.006 0.000 0.246 1406 V C 2.672 178.655 176.094 -0.185 0.000 1.049 1406 V CA 2.558 64.686 62.300 -0.287 0.000 1.024 1406 V CB -1.296 30.422 31.823 -0.176 0.000 0.648 1406 V HN 0.790 nan 8.190 nan 0.000 0.447 1407 E N 0.474 120.706 120.200 0.054 0.000 2.160 1407 E HA -0.176 4.170 4.350 -0.006 0.000 0.195 1407 E C 2.142 178.774 176.600 0.053 0.000 0.991 1407 E CA 1.965 58.455 56.400 0.150 0.000 0.810 1407 E CB -0.296 29.447 29.700 0.072 0.000 0.742 1407 E HN 0.710 nan 8.360 nan 0.000 0.466 1408 I N 0.532 121.068 120.570 -0.058 0.000 2.277 1408 I HA -0.234 3.932 4.170 -0.006 0.000 0.243 1408 I C 2.289 178.289 176.117 -0.194 0.000 1.094 1408 I CA 0.746 61.977 61.300 -0.116 0.000 1.393 1408 I CB -0.180 37.736 38.000 -0.140 0.000 1.078 1408 I HN 0.059 nan 8.210 nan 0.000 0.417 1409 L N -0.177 120.872 121.223 -0.290 0.000 2.187 1409 L HA -0.209 4.127 4.340 -0.006 0.000 0.213 1409 L C 2.411 179.104 176.870 -0.295 0.000 1.100 1409 L CA 1.300 55.886 54.840 -0.423 0.000 0.765 1409 L CB -0.494 41.299 42.059 -0.443 0.000 0.904 1409 L HN 0.134 nan 8.230 nan 0.000 0.437 1410 F N 0.142 120.047 119.950 -0.074 0.000 2.098 1410 F HA -0.141 4.383 4.527 -0.006 0.000 0.294 1410 F C 2.434 178.316 175.800 0.138 0.000 1.107 1410 F CA 1.143 59.149 58.000 0.010 0.000 1.234 1410 F CB -0.409 38.532 39.000 -0.098 0.000 1.002 1410 F HN 0.030 nan 8.300 nan 0.000 0.472 1411 E N -0.369 119.957 120.200 0.210 0.000 2.502 1411 E HA 0.090 4.436 4.350 -0.006 0.000 0.194 1411 E C 1.851 178.420 176.600 -0.051 0.000 1.062 1411 E CA 0.366 56.812 56.400 0.076 0.000 0.867 1411 E CB -0.003 29.706 29.700 0.015 0.000 0.888 1411 E HN 0.328 nan 8.360 nan 0.000 0.510 1412 A N 0.405 123.164 122.820 -0.101 0.000 1.956 1412 A HA 0.104 4.420 4.320 -0.006 0.000 0.212 1412 A C 2.249 179.790 177.584 -0.071 0.000 1.188 1412 A CA 0.934 52.855 52.037 -0.194 0.000 0.675 1412 A CB -0.310 18.391 19.000 -0.497 0.000 0.845 1412 A HN 0.312 nan 8.150 nan 0.000 0.455 1413 G N -0.505 108.307 108.800 0.020 0.000 2.464 1413 G HA2 0.160 4.116 3.960 -0.006 0.000 0.217 1413 G HA3 0.160 4.116 3.960 -0.006 0.000 0.217 1413 G C 1.589 176.545 174.900 0.094 0.000 1.138 1413 G CA 1.148 46.338 45.100 0.149 0.000 0.793 1413 G HN 0.662 nan 8.290 nan 0.000 0.539 1414 A N 1.341 124.179 122.820 0.029 0.000 1.897 1414 A HA 0.045 4.361 4.320 -0.006 0.000 0.215 1414 A C 2.560 179.984 177.584 -0.266 0.000 1.181 1414 A CA 2.169 54.128 52.037 -0.130 0.000 0.620 1414 A CB -0.521 18.355 19.000 -0.206 0.000 0.821 1414 A HN 0.653 nan 8.150 nan 0.000 0.443 1415 S N -1.374 114.176 115.700 -0.251 0.000 2.593 1415 S HA 0.455 4.921 4.470 -0.006 0.000 0.217 1415 S C 0.925 175.451 174.600 -0.124 0.000 0.966 1415 S CA 0.827 58.867 58.200 -0.268 0.000 0.914 1415 S CB -0.390 62.664 63.200 -0.244 0.000 0.776 1415 S HN 1.926 nan 8.310 nan 0.000 0.523 1416 A N 0.707 123.496 122.820 -0.051 0.000 2.610 1416 A HA -0.203 4.113 4.320 -0.006 0.000 0.299 1416 A C 0.065 177.606 177.584 -0.071 0.000 1.487 1416 A CA 0.867 52.885 52.037 -0.032 0.000 0.743 1416 A CB -2.366 16.619 19.000 -0.025 0.000 1.070 1416 A HN 0.732 nan 8.150 nan 0.000 0.439 1417 E N -1.027 119.163 120.200 -0.017 0.000 2.290 1417 E HA 0.389 4.736 4.350 -0.006 0.000 0.277 1417 E C -0.033 176.605 176.600 0.064 0.000 1.035 1417 E CA -0.603 55.794 56.400 -0.004 0.000 0.873 1417 E CB 0.834 30.521 29.700 -0.021 0.000 1.029 1417 E HN 0.602 nan 8.360 nan 0.000 0.419 1418 L N 4.077 125.294 121.223 -0.010 0.000 2.264 1418 L HA 0.205 4.542 4.340 -0.006 0.000 0.289 1418 L C -0.397 176.489 176.870 0.027 0.000 1.044 1418 L CA -0.149 54.677 54.840 -0.024 0.000 0.807 1418 L CB 1.063 43.063 42.059 -0.097 0.000 1.192 1418 L HN 0.388 nan 8.230 nan 0.000 0.425 1419 D N 2.880 123.320 120.400 0.067 0.000 2.312 1419 D HA 0.049 4.685 4.640 -0.006 0.000 0.252 1419 D C 0.024 176.333 176.300 0.015 0.000 1.150 1419 D CA -0.044 54.000 54.000 0.073 0.000 0.870 1419 D CB 1.430 42.322 40.800 0.154 0.000 1.153 1419 D HN 0.657 nan 8.370 nan 0.000 0.457 1420 D N 1.566 121.973 120.400 0.013 0.000 2.269 1420 D HA -0.032 4.604 4.640 -0.006 0.000 0.208 1420 D C 0.881 177.183 176.300 0.004 0.000 0.963 1420 D CA 0.302 54.303 54.000 0.002 0.000 0.864 1420 D CB -0.108 40.694 40.800 0.003 0.000 0.936 1420 D HN 0.473 nan 8.370 nan 0.000 0.505 1421 C N 0.508 119.815 119.300 0.013 0.000 4.300 1421 C HA -0.160 4.296 4.460 -0.006 0.000 0.304 1421 C C 1.343 176.341 174.990 0.013 0.000 1.367 1421 C CA -0.131 58.894 59.018 0.012 0.000 2.032 1421 C CB -2.420 25.320 27.740 0.000 0.000 1.285 1421 C HN 0.453 nan 8.230 nan 0.000 0.737 1422 R N 0.059 120.570 120.500 0.019 0.000 2.365 1422 R HA 0.291 4.627 4.340 -0.006 0.000 0.223 1422 R C 1.266 177.583 176.300 0.029 0.000 0.899 1422 R CA 0.636 56.752 56.100 0.027 0.000 1.059 1422 R CB 0.411 30.729 30.300 0.030 0.000 1.086 1422 R HN 0.616 nan 8.270 nan 0.000 0.522 1423 G N 0.073 108.887 108.800 0.023 0.000 2.537 1423 G HA2 0.282 4.238 3.960 -0.006 0.000 0.297 1423 G HA3 0.282 4.238 3.960 -0.006 0.000 0.297 1423 G C 0.962 175.871 174.900 0.014 0.000 1.310 1423 G CA -0.632 44.481 45.100 0.021 0.000 1.027 1423 G HN -0.134 nan 8.290 nan 0.000 0.505 1424 V N 0.060 119.981 119.914 0.011 0.000 2.255 1424 V HA -0.128 3.989 4.120 -0.006 0.000 0.243 1424 V C 3.097 179.196 176.094 0.010 0.000 1.038 1424 V CA 2.342 64.644 62.300 0.003 0.000 1.008 1424 V CB -0.771 31.051 31.823 -0.002 0.000 0.645 1424 V HN 0.648 nan 8.190 nan 0.000 0.449 1425 S N -0.001 115.711 115.700 0.021 0.000 2.383 1425 S HA -0.210 4.256 4.470 -0.006 0.000 0.229 1425 S C 1.866 176.482 174.600 0.027 0.000 1.030 1425 S CA 1.494 59.710 58.200 0.028 0.000 1.002 1425 S CB -0.379 62.847 63.200 0.042 0.000 0.829 1425 S HN 0.668 nan 8.310 nan 0.000 0.467 1426 E N 2.150 122.367 120.200 0.028 0.000 2.038 1426 E HA -0.139 4.207 4.350 -0.006 0.000 0.195 1426 E C 1.602 178.212 176.600 0.017 0.000 1.000 1426 E CA 0.958 57.375 56.400 0.029 0.000 0.803 1426 E CB -0.636 29.081 29.700 0.028 0.000 0.750 1426 E HN 0.524 nan 8.360 nan 0.000 0.448 1427 N N 0.780 119.484 118.700 0.008 0.000 2.331 1427 N HA -0.065 4.671 4.740 -0.006 0.000 0.180 1427 N C 2.070 177.580 175.510 -0.000 0.000 1.019 1427 N CA 0.514 53.564 53.050 -0.001 0.000 0.881 1427 N CB 0.061 38.543 38.487 -0.008 0.000 0.972 1427 N HN -0.013 nan 8.380 nan 0.000 0.435 1428 V N 1.959 121.875 119.914 0.003 0.000 2.295 1428 V HA -0.187 3.929 4.120 -0.006 0.000 0.246 1428 V C 2.281 178.380 176.094 0.009 0.000 1.049 1428 V CA 1.295 63.597 62.300 0.004 0.000 1.024 1428 V CB -0.313 31.514 31.823 0.006 0.000 0.648 1428 V HN 0.186 nan 8.190 nan 0.000 0.447 1429 I N -0.534 120.045 120.570 0.015 0.000 2.252 1429 I HA -0.221 3.945 4.170 -0.006 0.000 0.245 1429 I C 1.995 178.120 176.117 0.013 0.000 1.102 1429 I CA 1.539 62.850 61.300 0.018 0.000 1.385 1429 I CB -0.204 37.813 38.000 0.028 0.000 1.064 1429 I HN 0.236 nan 8.210 nan 0.000 0.414 1430 L N 0.466 121.694 121.223 0.008 0.000 2.599 1430 L HA 0.159 4.495 4.340 -0.006 0.000 0.230 1430 L C 1.535 178.405 176.870 -0.001 0.000 1.141 1430 L CA 0.469 55.309 54.840 0.002 0.000 0.877 1430 L CB -0.516 41.541 42.059 -0.004 0.000 1.009 1430 L HN 0.479 nan 8.230 nan 0.000 0.447 1431 G N 0.074 108.875 108.800 0.001 0.000 2.179 1431 G HA2 -0.279 3.677 3.960 -0.006 0.000 0.257 1431 G HA3 -0.279 3.677 3.960 -0.006 0.000 0.257 1431 G C 0.185 175.082 174.900 -0.006 0.000 1.010 1431 G CA 0.138 45.238 45.100 -0.000 0.000 0.736 1431 G HN 0.471 nan 8.290 nan 0.000 0.513 1432 Q N -1.139 118.656 119.800 -0.009 0.000 2.195 1432 Q HA 0.622 4.958 4.340 -0.006 0.000 0.250 1432 Q C 0.537 176.524 176.000 -0.022 0.000 0.988 1432 Q CA -0.979 54.815 55.803 -0.015 0.000 0.911 1432 Q CB 1.187 29.915 28.738 -0.016 0.000 1.258 1432 Q HN 0.360 nan 8.270 nan 0.000 0.475 1433 M N 1.719 121.300 119.600 -0.032 0.000 2.251 1433 M HA 0.229 4.705 4.480 -0.006 0.000 0.346 1433 M C -0.732 175.537 176.300 -0.051 0.000 1.499 1433 M CA -0.110 55.161 55.300 -0.047 0.000 1.128 1433 M CB 0.277 32.839 32.600 -0.063 0.000 1.809 1433 M HN 0.720 nan 8.290 nan 0.000 0.464 1434 A N 6.983 129.774 122.820 -0.049 0.000 2.371 1434 A HA 0.498 4.814 4.320 -0.006 0.000 0.257 1434 A C -2.333 175.213 177.584 -0.064 0.000 1.089 1434 A CA -1.428 50.583 52.037 -0.043 0.000 0.794 1434 A CB -0.357 18.624 19.000 -0.031 0.000 1.029 1434 A HN 0.647 nan 8.150 nan 0.000 0.488 1435 P HA 0.161 nan 4.420 nan 0.000 0.245 1435 P C -1.036 176.218 177.300 -0.076 0.000 1.670 1435 P CA 0.946 64.010 63.100 -0.061 0.000 1.146 1435 P CB -0.551 31.142 31.700 -0.012 0.000 1.954 1436 I N 0.519 121.030 120.570 -0.099 0.000 2.468 1436 I HA 0.287 4.453 4.170 -0.006 0.000 0.284 1436 I C 1.447 177.502 176.117 -0.104 0.000 1.038 1436 I CA -0.498 60.747 61.300 -0.092 0.000 1.083 1436 I CB 1.581 39.539 38.000 -0.070 0.000 1.223 1436 I HN 0.329 nan 8.210 nan 0.000 0.443 1437 G N 4.656 113.401 108.800 -0.091 0.000 3.609 1437 G HA2 -0.439 3.517 3.960 -0.006 0.000 0.370 1437 G HA3 -0.439 3.517 3.960 -0.006 0.000 0.370 1437 G C 1.057 175.949 174.900 -0.012 0.000 1.603 1437 G CA 1.681 46.756 45.100 -0.042 0.000 1.576 1437 G HN 0.506 nan 8.290 nan 0.000 0.800 1438 T N 0.937 115.442 114.554 -0.082 0.000 2.904 1438 T HA 0.232 4.578 4.350 -0.006 0.000 0.267 1438 T C 2.158 176.512 174.700 -0.576 0.000 1.059 1438 T CA 1.880 63.874 62.100 -0.177 0.000 1.137 1438 T CB -0.242 68.568 68.868 -0.096 0.000 0.879 1438 T HN 1.143 nan 8.240 nan 0.000 0.467 1439 G N 0.309 108.869 108.800 -0.399 0.000 3.189 1439 G HA2 0.420 4.376 3.960 -0.006 0.000 0.225 1439 G HA3 0.420 4.376 3.960 -0.006 0.000 0.225 1439 G C 1.244 175.930 174.900 -0.357 0.000 1.159 1439 G CA 0.274 45.131 45.100 -0.405 0.000 0.763 1439 G HN 0.527 nan 8.290 nan 0.000 0.549 1440 A N 0.200 122.822 122.820 -0.330 0.000 2.239 1440 A HA 0.538 4.854 4.320 -0.006 0.000 0.209 1440 A C 0.404 178.090 177.584 0.170 0.000 1.171 1440 A CA 0.175 52.183 52.037 -0.048 0.000 0.768 1440 A CB -0.637 18.381 19.000 0.031 0.000 0.790 1440 A HN 0.645 nan 8.150 nan 0.000 0.478 1441 F N -4.059 115.937 119.950 0.076 0.000 2.745 1441 F HA 0.682 5.205 4.527 -0.006 0.000 0.316 1441 F C -1.494 174.323 175.800 0.028 0.000 1.155 1441 F CA -1.923 56.114 58.000 0.061 0.000 0.937 1441 F CB 0.642 39.686 39.000 0.074 0.000 1.361 1441 F HN -0.221 nan 8.300 nan 0.000 0.472 1442 D N 1.278 121.847 120.400 0.282 0.000 2.256 1442 D HA 0.536 5.172 4.640 -0.006 0.000 0.246 1442 D C -1.006 175.443 176.300 0.248 0.000 1.042 1442 D CA -0.209 53.894 54.000 0.172 0.000 0.841 1442 D CB 2.771 43.625 40.800 0.090 0.000 1.223 1442 D HN 0.439 nan 8.370 nan 0.000 0.470 1443 V N 3.456 123.490 119.914 0.199 0.000 2.394 1443 V HA 0.465 4.581 4.120 -0.006 0.000 0.282 1443 V C 0.405 176.557 176.094 0.096 0.000 1.031 1443 V CA -0.380 62.022 62.300 0.171 0.000 0.881 1443 V CB 1.147 33.080 31.823 0.183 0.000 0.982 1443 V HN 0.431 nan 8.190 nan 0.000 0.451 1444 M N 4.873 124.518 119.600 0.075 0.000 2.690 1444 M HA 0.680 5.156 4.480 -0.006 0.000 0.302 1444 M C -1.358 174.973 176.300 0.051 0.000 1.234 1444 M CA -0.715 54.618 55.300 0.054 0.000 0.853 1444 M CB 2.497 35.123 32.600 0.043 0.000 1.748 1444 M HN 0.388 nan 8.290 nan 0.000 0.469 1445 I N 0.225 120.823 120.570 0.047 0.000 2.404 1445 I HA 0.344 4.510 4.170 -0.006 0.000 0.293 1445 I C -0.702 175.441 176.117 0.044 0.000 0.992 1445 I CA -0.373 60.958 61.300 0.051 0.000 1.149 1445 I CB 1.235 39.266 38.000 0.051 0.000 1.315 1445 I HN 0.443 nan 8.210 nan 0.000 0.446 1446 D N 4.340 124.770 120.400 0.049 0.000 2.329 1446 D HA 0.112 4.749 4.640 -0.006 0.000 0.232 1446 D C 0.901 177.218 176.300 0.029 0.000 1.088 1446 D CA -0.128 53.892 54.000 0.033 0.000 0.835 1446 D CB 1.270 42.087 40.800 0.027 0.000 1.078 1446 D HN 0.570 nan 8.370 nan 0.000 0.495 1447 E N 3.339 123.550 120.200 0.018 0.000 2.110 1447 E HA -0.210 4.136 4.350 -0.006 0.000 0.193 1447 E C 1.161 177.757 176.600 -0.007 0.000 0.988 1447 E CA 0.921 57.328 56.400 0.012 0.000 0.804 1447 E CB 0.271 29.977 29.700 0.010 0.000 0.745 1447 E HN 0.766 nan 8.360 nan 0.000 0.458 1448 E N 0.216 120.404 120.200 -0.021 0.000 2.072 1448 E HA -0.149 4.197 4.350 -0.006 0.000 0.191 1448 E C 2.102 178.646 176.600 -0.093 0.000 0.985 1448 E CA 1.557 57.930 56.400 -0.046 0.000 0.801 1448 E CB -0.022 29.654 29.700 -0.040 0.000 0.750 1448 E HN 0.254 nan 8.360 nan 0.000 0.452 1449 S N 0.595 116.236 115.700 -0.099 0.000 2.402 1449 S HA -0.149 4.317 4.470 -0.006 0.000 0.229 1449 S C 2.120 176.537 174.600 -0.306 0.000 1.021 1449 S CA 0.750 58.815 58.200 -0.225 0.000 0.974 1449 S CB -0.436 62.705 63.200 -0.098 0.000 0.800 1449 S HN 0.370 nan 8.310 nan 0.000 0.484 1450 L N 1.284 122.478 121.223 -0.047 0.000 2.083 1450 L HA -0.014 4.322 4.340 -0.006 0.000 0.209 1450 L C 2.434 179.311 176.870 0.011 0.000 1.083 1450 L CA 1.094 55.981 54.840 0.077 0.000 0.752 1450 L CB -0.306 41.807 42.059 0.091 0.000 0.899 1450 L HN 0.222 nan 8.230 nan 0.000 0.433 1451 V N -0.053 119.834 119.914 -0.046 0.000 2.407 1451 V HA -0.324 3.792 4.120 -0.006 0.000 0.248 1451 V C 2.526 178.574 176.094 -0.076 0.000 1.055 1451 V CA 2.104 64.379 62.300 -0.041 0.000 1.049 1451 V CB -0.594 31.205 31.823 -0.041 0.000 0.662 1451 V HN 0.475 nan 8.190 nan 0.000 0.455 1452 K N -0.681 119.607 120.400 -0.188 0.000 2.097 1452 K HA -0.188 4.128 4.320 -0.006 0.000 0.206 1452 K C 2.095 178.597 176.600 -0.164 0.000 1.049 1452 K CA 1.840 57.986 56.287 -0.235 0.000 0.933 1452 K CB -0.274 31.992 32.500 -0.390 0.000 0.717 1452 K HN 0.604 nan 8.250 nan 0.000 0.442 1453 Y N -0.012 120.292 120.300 0.007 0.000 2.395 1453 Y HA -0.047 4.499 4.550 -0.006 0.000 0.293 1453 Y C 1.038 176.943 175.900 0.009 0.000 1.123 1453 Y CA -0.137 57.968 58.100 0.007 0.000 1.227 1453 Y CB 0.009 38.474 38.460 0.009 0.000 1.012 1453 Y HN 0.107 nan 8.280 nan 0.000 0.552 1454 M N 0.000 119.677 119.600 0.129 0.000 2.572 1454 M HA 0.000 4.476 4.480 -0.006 0.000 0.227 1454 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1454 M CB 0.000 32.632 32.600 0.053 0.000 1.302 1454 M HN 0.000 nan 8.290 nan 0.000 0.411