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 1i3q_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 XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMI 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 0.000 176.092 176.094 -0.004 0.000 1.182 2 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3 G N -0.557 108.241 108.800 -0.003 0.000 3.182 3 G HA2 0.607 4.567 3.960 -0.000 0.000 0.167 3 G HA3 0.607 4.567 3.960 -0.000 0.000 0.167 3 G C -0.393 174.514 174.900 0.011 0.000 1.537 3 G CA 0.151 45.253 45.100 0.003 0.000 1.046 3 G HN 0.287 nan 8.290 nan 0.000 0.580 4 Q N -1.821 117.989 119.800 0.017 0.000 2.565 4 Q HA 0.528 4.867 4.340 -0.000 0.000 0.294 4 Q C -1.061 174.964 176.000 0.040 0.000 1.005 4 Q CA -0.635 55.187 55.803 0.031 0.000 0.771 4 Q CB 2.546 31.304 28.738 0.034 0.000 1.486 4 Q HN 0.680 nan 8.270 nan 0.000 0.422 5 Q N -1.079 118.761 119.800 0.067 0.000 0.631 5 Q HA -0.137 4.203 4.340 -0.000 0.000 0.242 5 Q C -1.829 174.270 176.000 0.165 0.000 1.089 5 Q CA -0.069 55.792 55.803 0.098 0.000 0.543 5 Q CB -0.598 28.183 28.738 0.071 0.000 4.958 5 Q HN 0.644 nan 8.270 nan 0.000 0.303 6 Y N 0.303 120.608 120.300 0.008 0.000 2.753 6 Y HA 0.703 5.253 4.550 -0.000 0.000 0.324 6 Y C -0.858 175.047 175.900 0.008 0.000 1.147 6 Y CA 0.489 58.593 58.100 0.007 0.000 1.173 6 Y CB 2.113 40.577 38.460 0.007 0.000 1.361 6 Y HN 0.613 nan 8.280 nan 0.000 0.545 7 S N -0.488 114.928 115.700 -0.472 0.000 2.388 7 S HA 0.147 4.616 4.470 -0.000 0.000 0.279 7 S C -0.357 174.041 174.600 -0.337 0.000 0.987 7 S CA -0.286 57.756 58.200 -0.263 0.000 0.993 7 S CB 0.091 63.159 63.200 -0.220 0.000 1.207 7 S HN 0.826 nan 8.310 nan 0.000 0.425 8 S N 1.292 116.968 115.700 -0.039 0.000 2.595 8 S HA 0.326 4.796 4.470 -0.000 0.000 0.235 8 S C 0.922 175.504 174.600 -0.030 0.000 0.974 8 S CA 0.162 58.382 58.200 0.032 0.000 0.942 8 S CB -0.356 62.907 63.200 0.105 0.000 0.766 8 S HN 1.518 nan 8.310 nan 0.000 0.536 9 A N 3.531 126.308 122.820 -0.071 0.000 2.328 9 A HA 0.590 4.910 4.320 -0.000 0.000 0.284 9 A C -1.843 175.695 177.584 -0.078 0.000 1.160 9 A CA -1.756 50.247 52.037 -0.056 0.000 0.818 9 A CB -0.018 18.956 19.000 -0.044 0.000 1.087 9 A HN 0.400 nan 8.150 nan 0.000 0.504 10 P HA 0.169 nan 4.420 nan 0.000 0.268 10 P C -0.613 176.656 177.300 -0.053 0.000 1.204 10 P CA -0.245 62.825 63.100 -0.050 0.000 0.768 10 P CB 0.706 32.389 31.700 -0.029 0.000 0.842 11 L N 4.768 125.956 121.223 -0.059 0.000 2.380 11 L HA 0.321 4.660 4.340 -0.000 0.000 0.273 11 L C 0.409 177.255 176.870 -0.040 0.000 1.138 11 L CA 0.525 55.333 54.840 -0.053 0.000 0.832 11 L CB 0.016 42.041 42.059 -0.057 0.000 1.124 11 L HN 0.425 nan 8.230 nan 0.000 0.454 12 R N 2.565 123.042 120.500 -0.038 0.000 2.734 12 R HA 0.452 4.792 4.340 -0.000 0.000 0.271 12 R C -1.055 175.224 176.300 -0.036 0.000 1.021 12 R CA -0.938 55.142 56.100 -0.034 0.000 0.893 12 R CB 2.017 32.299 30.300 -0.030 0.000 1.244 12 R HN 0.542 nan 8.270 nan 0.000 0.464 13 T N 0.879 115.411 114.554 -0.037 0.000 2.934 13 T HA 0.318 4.668 4.350 -0.000 0.000 0.283 13 T C -0.213 174.463 174.700 -0.041 0.000 1.005 13 T CA -0.501 61.575 62.100 -0.040 0.000 1.041 13 T CB 1.526 70.368 68.868 -0.044 0.000 1.042 13 T HN 0.140 nan 8.240 nan 0.000 0.505 14 V N 4.171 124.059 119.914 -0.044 0.000 2.530 14 V HA 0.232 4.352 4.120 -0.000 0.000 0.282 14 V C 0.902 176.966 176.094 -0.050 0.000 1.048 14 V CA -0.099 62.170 62.300 -0.052 0.000 0.997 14 V CB 1.102 32.891 31.823 -0.057 0.000 0.987 14 V HN 0.780 nan 8.190 nan 0.000 0.477 15 K N 2.624 122.992 120.400 -0.053 0.000 2.312 15 K HA 0.334 4.653 4.320 -0.000 0.000 0.206 15 K C 0.513 177.079 176.600 -0.056 0.000 1.121 15 K CA 0.465 56.725 56.287 -0.045 0.000 0.923 15 K CB 0.607 33.087 32.500 -0.034 0.000 1.162 15 K HN 0.696 nan 8.250 nan 0.000 0.478 16 E N 0.523 120.677 120.200 -0.076 0.000 2.281 16 E HA 0.522 4.872 4.350 -0.000 0.000 0.257 16 E C -1.035 175.468 176.600 -0.161 0.000 0.971 16 E CA -0.949 55.389 56.400 -0.103 0.000 0.839 16 E CB 2.550 32.189 29.700 -0.102 0.000 1.238 16 E HN -0.292 nan 8.360 nan 0.000 0.412 17 V N 1.915 121.689 119.914 -0.233 0.000 2.624 17 V HA 0.116 4.236 4.120 -0.000 0.000 0.294 17 V C -0.942 174.813 176.094 -0.564 0.000 1.077 17 V CA -0.881 61.180 62.300 -0.398 0.000 0.905 17 V CB 1.628 33.194 31.823 -0.429 0.000 1.025 17 V HN 0.513 nan 8.190 nan 0.000 0.440 18 Q N 3.143 122.594 119.800 -0.581 0.000 2.243 18 Q HA 0.596 4.935 4.340 -0.000 0.000 0.252 18 Q C -1.305 174.291 176.000 -0.673 0.000 0.909 18 Q CA -0.082 55.352 55.803 -0.616 0.000 0.922 18 Q CB 2.008 30.308 28.738 -0.729 0.000 1.215 18 Q HN 0.637 nan 8.270 nan 0.000 0.427 19 F N 0.428 120.236 119.950 -0.237 0.000 2.467 19 F HA 0.663 5.189 4.527 -0.000 0.000 0.336 19 F C 0.795 176.537 175.800 -0.096 0.000 1.123 19 F CA -0.441 57.481 58.000 -0.131 0.000 0.964 19 F CB 2.186 41.144 39.000 -0.070 0.000 1.136 19 F HN 0.570 nan 8.300 nan 0.000 0.447 20 G N 2.906 111.788 108.800 0.135 0.000 2.870 20 G HA2 0.764 4.724 3.960 -0.000 0.000 0.299 20 G HA3 0.764 4.724 3.960 -0.000 0.000 0.299 20 G C -2.013 172.937 174.900 0.083 0.000 1.324 20 G CA -0.836 44.351 45.100 0.144 0.000 0.808 20 G HN 0.449 nan 8.290 nan 0.000 0.535 21 L N 0.008 121.279 121.223 0.080 0.000 2.386 21 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 21 L C -0.817 175.976 176.870 -0.129 0.000 0.993 21 L CA -0.679 54.181 54.840 0.035 0.000 0.819 21 L CB 2.469 44.603 42.059 0.125 0.000 1.294 21 L HN 0.441 nan 8.230 nan 0.000 0.414 22 F N 1.283 121.149 119.950 -0.140 0.000 2.578 22 F HA 0.044 4.571 4.527 -0.000 0.000 0.376 22 F C 1.242 176.654 175.800 -0.647 0.000 1.085 22 F CA 0.195 58.005 58.000 -0.316 0.000 1.260 22 F CB 0.974 39.857 39.000 -0.196 0.000 1.095 22 F HN 0.521 nan 8.300 nan 0.000 0.573 23 S N 4.889 120.102 115.700 -0.811 0.000 2.617 23 S HA 0.279 4.749 4.470 -0.000 0.000 0.269 23 S C -1.678 172.627 174.600 -0.492 0.000 1.292 23 S CA -1.250 56.090 58.200 -1.434 0.000 1.010 23 S CB 1.448 63.816 63.200 -1.387 0.000 0.944 23 S HN 0.452 nan 8.310 nan 0.000 0.536 24 P HA -0.102 nan 4.420 nan 0.000 0.217 24 P C 0.790 178.050 177.300 -0.066 0.000 1.150 24 P CA 1.228 64.283 63.100 -0.075 0.000 0.832 24 P CB 0.051 31.770 31.700 0.032 0.000 0.787 25 E N 0.739 120.898 120.200 -0.069 0.000 2.023 25 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 25 E C 2.196 178.745 176.600 -0.083 0.000 1.003 25 E CA 1.417 57.785 56.400 -0.052 0.000 0.809 25 E CB -1.142 28.543 29.700 -0.024 0.000 0.755 25 E HN 0.429 nan 8.360 nan 0.000 0.449 26 E N 0.488 120.621 120.200 -0.112 0.000 2.049 26 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 26 E C 1.951 178.512 176.600 -0.065 0.000 1.007 26 E CA 1.883 58.248 56.400 -0.058 0.000 0.809 26 E CB -0.024 29.665 29.700 -0.018 0.000 0.749 26 E HN 0.101 nan 8.360 nan 0.000 0.450 27 V N 1.106 120.939 119.914 -0.136 0.000 2.453 27 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 27 V C 2.383 178.372 176.094 -0.175 0.000 1.068 27 V CA 2.303 64.433 62.300 -0.283 0.000 1.070 27 V CB -0.681 30.972 31.823 -0.283 0.000 0.664 27 V HN 0.282 nan 8.190 nan 0.000 0.461 28 R N 0.240 120.642 120.500 -0.163 0.000 2.093 28 R HA 0.065 4.405 4.340 -0.000 0.000 0.224 28 R C 2.490 178.649 176.300 -0.235 0.000 1.101 28 R CA 1.198 57.107 56.100 -0.317 0.000 0.979 28 R CB -0.521 29.604 30.300 -0.293 0.000 0.877 28 R HN 0.518 nan 8.270 nan 0.000 0.441 29 A N 1.448 124.185 122.820 -0.139 0.000 1.902 29 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 29 A C 2.118 179.655 177.584 -0.078 0.000 1.181 29 A CA 1.164 53.145 52.037 -0.094 0.000 0.623 29 A CB -0.386 18.579 19.000 -0.058 0.000 0.818 29 A HN 0.168 nan 8.150 nan 0.000 0.443 30 I N 0.653 121.181 120.570 -0.071 0.000 2.500 30 I HA -0.094 4.075 4.170 -0.000 0.000 0.252 30 I C 1.209 177.312 176.117 -0.023 0.000 1.142 30 I CA 0.561 61.837 61.300 -0.040 0.000 1.451 30 I CB -0.129 37.850 38.000 -0.036 0.000 1.093 30 I HN 0.390 nan 8.210 nan 0.000 0.430 31 S N 0.535 116.203 115.700 -0.052 0.000 2.572 31 S HA 0.123 4.593 4.470 -0.000 0.000 0.279 31 S C 0.782 175.380 174.600 -0.002 0.000 1.341 31 S CA -0.513 57.694 58.200 0.012 0.000 1.043 31 S CB 1.602 64.820 63.200 0.030 0.000 0.887 31 S HN 0.164 nan 8.310 nan 0.000 0.516 32 V N -1.124 118.815 119.914 0.041 0.000 3.635 32 V HA 0.529 4.649 4.120 -0.000 0.000 0.266 32 V C 1.019 177.131 176.094 0.029 0.000 1.316 32 V CA 0.218 62.524 62.300 0.011 0.000 1.060 32 V CB -1.354 30.464 31.823 -0.010 0.000 0.820 32 V HN 1.042 nan 8.190 nan 0.000 0.447 33 A N 0.867 123.725 122.820 0.064 0.000 2.378 33 A HA 0.772 5.092 4.320 -0.000 0.000 0.293 33 A C 0.814 178.465 177.584 0.112 0.000 1.250 33 A CA -0.120 51.957 52.037 0.067 0.000 0.915 33 A CB 1.167 20.199 19.000 0.054 0.000 1.402 33 A HN 0.285 nan 8.150 nan 0.000 0.502 34 K N -1.026 119.429 120.400 0.092 0.000 2.590 34 K HA 0.326 4.645 4.320 -0.000 0.000 0.218 34 K C -0.760 175.843 176.600 0.006 0.000 1.536 34 K CA -0.092 56.262 56.287 0.111 0.000 1.013 34 K CB 0.294 32.848 32.500 0.090 0.000 1.265 34 K HN 0.587 nan 8.250 nan 0.000 0.603 35 I N 2.917 123.490 120.570 0.005 0.000 3.494 35 I HA -0.380 3.790 4.170 -0.000 0.000 0.126 35 I C 0.460 176.543 176.117 -0.056 0.000 0.972 35 I CA 0.818 62.106 61.300 -0.020 0.000 2.750 35 I CB -0.261 37.713 38.000 -0.044 0.000 1.121 35 I HN 0.354 nan 8.210 nan 0.000 0.344 36 R N 3.903 124.375 120.500 -0.048 0.000 2.551 36 R HA 0.350 4.690 4.340 -0.000 0.000 0.202 36 R C -0.164 176.023 176.300 -0.189 0.000 0.861 36 R CA -0.061 55.946 56.100 -0.154 0.000 1.018 36 R CB 0.302 30.462 30.300 -0.234 0.000 1.435 36 R HN 0.347 nan 8.270 nan 0.000 0.659 37 F N 3.577 123.511 119.950 -0.026 0.000 2.404 37 F HA 0.282 4.809 4.527 -0.000 0.000 0.345 37 F C -1.306 174.477 175.800 -0.028 0.000 1.110 37 F CA -2.396 55.591 58.000 -0.022 0.000 1.130 37 F CB 1.623 40.613 39.000 -0.017 0.000 1.129 37 F HN -0.109 nan 8.300 nan 0.000 0.500 38 P HA -0.027 nan 4.420 nan 0.000 0.241 38 P C -0.210 177.144 177.300 0.090 0.000 1.191 38 P CA 0.635 63.795 63.100 0.101 0.000 0.771 38 P CB 0.285 32.034 31.700 0.081 0.000 0.929 39 E N -0.474 119.795 120.200 0.116 0.000 2.397 39 E HA 0.154 4.504 4.350 -0.000 0.000 0.254 39 E C 0.590 177.187 176.600 -0.005 0.000 1.231 39 E CA 0.220 56.631 56.400 0.019 0.000 0.954 39 E CB 0.574 30.219 29.700 -0.091 0.000 1.024 39 E HN -0.022 nan 8.360 nan 0.000 0.481 40 T N -0.113 114.418 114.554 -0.038 0.000 3.463 40 T HA 0.111 4.461 4.350 -0.000 0.000 0.203 40 T C 1.233 175.902 174.700 -0.053 0.000 0.955 40 T CA 0.016 62.090 62.100 -0.043 0.000 1.230 40 T CB 0.120 68.958 68.868 -0.050 0.000 1.392 40 T HN 0.321 nan 8.240 nan 0.000 0.361 41 M N 1.114 120.682 119.600 -0.052 0.000 2.346 41 M HA 0.352 4.832 4.480 -0.000 0.000 0.280 41 M C -0.795 175.471 176.300 -0.056 0.000 1.075 41 M CA 0.059 55.329 55.300 -0.050 0.000 0.989 41 M CB 0.794 33.371 32.600 -0.038 0.000 1.447 41 M HN 0.052 nan 8.290 nan 0.000 0.511 42 D N 2.036 122.393 120.400 -0.072 0.000 2.278 42 D HA 0.307 4.947 4.640 -0.000 0.000 0.245 42 D C -0.561 175.674 176.300 -0.107 0.000 1.052 42 D CA 0.014 53.970 54.000 -0.074 0.000 0.834 42 D CB 1.497 42.264 40.800 -0.056 0.000 1.194 42 D HN 0.212 nan 8.370 nan 0.000 0.481 43 E N 0.937 121.084 120.200 -0.088 0.000 2.675 43 E HA 0.194 4.544 4.350 -0.000 0.000 0.236 43 E C -0.768 175.793 176.600 -0.065 0.000 1.059 43 E CA -0.498 55.845 56.400 -0.096 0.000 0.775 43 E CB 1.040 30.690 29.700 -0.084 0.000 1.356 43 E HN 0.282 nan 8.360 nan 0.000 0.403 44 T N 2.256 116.773 114.554 -0.062 0.000 3.967 44 T HA -0.268 4.082 4.350 -0.000 0.000 0.366 44 T C 0.775 175.455 174.700 -0.033 0.000 0.759 44 T CA 1.338 63.414 62.100 -0.041 0.000 1.971 44 T CB -1.356 67.492 68.868 -0.033 0.000 1.806 44 T HN 0.846 nan 8.240 nan 0.000 0.825 45 Q N -2.099 117.680 119.800 -0.034 0.000 2.858 45 Q HA -0.216 4.124 4.340 -0.000 0.000 0.191 45 Q C 0.583 176.568 176.000 -0.025 0.000 2.796 45 Q CA 2.095 57.883 55.803 -0.025 0.000 0.359 45 Q CB -1.802 26.925 28.738 -0.018 0.000 0.330 45 Q HN 0.710 nan 8.270 nan 0.000 0.511 46 T N 2.972 117.511 114.554 -0.026 0.000 2.656 46 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 46 T C 0.159 174.843 174.700 -0.027 0.000 1.017 46 T CA 0.531 62.617 62.100 -0.023 0.000 1.216 46 T CB 0.004 68.858 68.868 -0.024 0.000 0.989 46 T HN 0.100 nan 8.240 nan 0.000 0.507 47 R N 2.256 122.744 120.500 -0.021 0.000 2.537 47 R HA 0.471 4.811 4.340 -0.000 0.000 0.280 47 R C 0.625 176.911 176.300 -0.024 0.000 1.058 47 R CA 0.080 56.167 56.100 -0.022 0.000 1.057 47 R CB 0.566 30.857 30.300 -0.015 0.000 0.973 47 R HN 0.806 nan 8.270 nan 0.000 0.438 48 A N 2.568 125.371 122.820 -0.028 0.000 3.124 48 A HA 0.382 4.702 4.320 -0.000 0.000 0.081 48 A C -1.262 176.303 177.584 -0.032 0.000 1.428 48 A CA -0.485 51.536 52.037 -0.027 0.000 2.137 48 A CB 0.800 19.784 19.000 -0.028 0.000 2.180 48 A HN 0.528 nan 8.150 nan 0.000 0.944 49 K N -0.852 119.527 120.400 -0.037 0.000 2.685 49 K HA 0.619 4.938 4.320 -0.000 0.000 0.290 49 K C -1.809 174.764 176.600 -0.045 0.000 1.018 49 K CA -0.454 55.809 56.287 -0.039 0.000 0.860 49 K CB 1.787 34.272 32.500 -0.026 0.000 1.498 49 K HN 0.555 nan 8.250 nan 0.000 0.390 50 I N -0.099 120.442 120.570 -0.048 0.000 2.750 50 I HA 0.275 4.445 4.170 -0.000 0.000 0.308 50 I C 1.430 177.570 176.117 0.037 0.000 1.016 50 I CA -0.706 60.567 61.300 -0.045 0.000 1.098 50 I CB 1.737 39.637 38.000 -0.166 0.000 1.279 50 I HN 0.900 nan 8.210 nan 0.000 0.454 51 G N 2.172 111.027 108.800 0.091 0.000 2.843 51 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.205 51 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.205 51 G C 0.913 175.901 174.900 0.146 0.000 1.160 51 G CA 0.665 45.832 45.100 0.112 0.000 0.819 51 G HN 0.888 nan 8.290 nan 0.000 0.516 52 G N 0.099 109.011 108.800 0.188 0.000 2.542 52 G HA2 0.328 4.288 3.960 -0.000 0.000 0.211 52 G HA3 0.328 4.288 3.960 -0.000 0.000 0.211 52 G C 0.815 175.760 174.900 0.076 0.000 1.702 52 G CA -0.204 45.009 45.100 0.188 0.000 0.935 52 G HN 0.304 nan 8.290 nan 0.000 0.509 53 L N 0.420 121.672 121.223 0.049 0.000 2.946 53 L HA 0.175 4.515 4.340 -0.000 0.000 0.189 53 L C 0.268 177.132 176.870 -0.011 0.000 1.249 53 L CA -0.515 54.325 54.840 -0.001 0.000 1.098 53 L CB -0.203 41.841 42.059 -0.025 0.000 2.064 53 L HN 0.523 nan 8.230 nan 0.000 0.522 54 N N 0.928 119.607 118.700 -0.035 0.000 1.865 54 N HA -0.177 4.563 4.740 -0.000 0.000 0.287 54 N C -0.602 174.895 175.510 -0.022 0.000 1.348 54 N CA 0.947 53.974 53.050 -0.037 0.000 0.968 54 N CB -0.232 38.221 38.487 -0.056 0.000 1.358 54 N HN 0.730 nan 8.380 nan 0.000 0.478 55 D N 0.780 121.175 120.400 -0.007 0.000 1.756 55 D HA -0.048 4.591 4.640 -0.000 0.000 0.284 55 D C -1.759 174.548 176.300 0.011 0.000 1.430 55 D CA 0.556 54.556 54.000 0.000 0.000 0.737 55 D CB -0.755 40.044 40.800 -0.002 0.000 3.145 55 D HN 0.252 nan 8.370 nan 0.000 0.203 56 P HA -0.254 nan 4.420 nan 0.000 0.227 56 P C 0.687 177.997 177.300 0.016 0.000 0.791 56 P CA 2.048 65.161 63.100 0.021 0.000 1.075 56 P CB -0.157 31.561 31.700 0.029 0.000 0.728 57 R N -1.910 118.602 120.500 0.019 0.000 2.344 57 R HA 0.297 4.637 4.340 -0.000 0.000 0.209 57 R C 1.276 177.603 176.300 0.045 0.000 0.886 57 R CA -0.327 55.780 56.100 0.011 0.000 1.040 57 R CB -0.053 30.238 30.300 -0.014 0.000 1.114 57 R HN 0.214 nan 8.270 nan 0.000 0.547 58 L N 0.534 121.791 121.223 0.056 0.000 2.456 58 L HA 0.071 4.411 4.340 -0.000 0.000 0.266 58 L C 1.504 178.420 176.870 0.076 0.000 1.258 58 L CA 0.101 54.989 54.840 0.081 0.000 0.823 58 L CB -0.232 41.839 42.059 0.020 0.000 1.100 58 L HN 0.128 nan 8.230 nan 0.000 0.531 59 G N -0.009 108.826 108.800 0.057 0.000 2.593 59 G HA2 0.279 4.238 3.960 -0.000 0.000 0.279 59 G HA3 0.279 4.238 3.960 -0.000 0.000 0.279 59 G C 0.007 174.911 174.900 0.007 0.000 1.329 59 G CA 0.271 45.389 45.100 0.029 0.000 1.036 59 G HN 0.805 nan 8.290 nan 0.000 0.555 60 S N -2.042 113.656 115.700 -0.004 0.000 2.806 60 S HA 0.795 5.265 4.470 -0.000 0.000 0.306 60 S C -0.387 174.200 174.600 -0.022 0.000 1.167 60 S CA -0.890 57.303 58.200 -0.011 0.000 0.847 60 S CB 1.509 64.707 63.200 -0.003 0.000 1.216 60 S HN 0.584 nan 8.310 nan 0.000 0.532 61 I N -0.688 119.868 120.570 -0.023 0.000 3.516 61 I HA 0.477 4.647 4.170 -0.000 0.000 0.302 61 I C -0.494 175.611 176.117 -0.021 0.000 1.143 61 I CA -0.982 60.302 61.300 -0.028 0.000 1.003 61 I CB 1.209 39.189 38.000 -0.033 0.000 1.347 61 I HN 0.726 nan 8.210 nan 0.000 0.486 62 D N 0.998 121.385 120.400 -0.022 0.000 3.059 62 D HA -0.202 4.438 4.640 -0.000 0.000 0.213 62 D C -0.003 176.288 176.300 -0.014 0.000 1.144 62 D CA 1.156 55.145 54.000 -0.017 0.000 0.975 62 D CB -0.577 40.216 40.800 -0.013 0.000 1.125 62 D HN 0.712 nan 8.370 nan 0.000 0.412 63 R N -1.430 119.060 120.500 -0.016 0.000 3.527 63 R HA -0.145 4.195 4.340 -0.000 0.000 0.288 63 R C -0.634 175.662 176.300 -0.007 0.000 1.146 63 R CA 0.507 56.600 56.100 -0.012 0.000 0.778 63 R CB -2.006 28.287 30.300 -0.012 0.000 1.289 63 R HN 0.211 nan 8.270 nan 0.000 0.454 64 N N 1.193 119.889 118.700 -0.007 0.000 2.438 64 N HA 0.189 4.928 4.740 -0.000 0.000 0.282 64 N C 1.077 176.588 175.510 0.002 0.000 1.037 64 N CA -0.422 52.627 53.050 -0.002 0.000 0.942 64 N CB 1.022 39.507 38.487 -0.003 0.000 1.136 64 N HN 0.147 nan 8.380 nan 0.000 0.481 65 L N 0.880 122.106 121.223 0.005 0.000 2.675 65 L HA 0.059 4.399 4.340 -0.000 0.000 0.239 65 L C 0.683 177.562 176.870 0.015 0.000 1.151 65 L CA 0.667 55.513 54.840 0.010 0.000 0.905 65 L CB -0.381 41.685 42.059 0.010 0.000 1.057 65 L HN 0.185 nan 8.230 nan 0.000 0.435 66 K N 0.504 120.913 120.400 0.014 0.000 2.143 66 K HA 0.484 4.804 4.320 -0.000 0.000 0.272 66 K C -0.733 175.884 176.600 0.028 0.000 1.001 66 K CA -0.321 55.976 56.287 0.017 0.000 0.915 66 K CB 2.114 34.620 32.500 0.011 0.000 1.047 66 K HN 0.050 nan 8.250 nan 0.000 0.458 67 C N 3.110 122.432 119.300 0.037 0.000 3.086 67 C HA 0.021 4.481 4.460 -0.000 0.000 0.377 67 C C -0.506 174.514 174.990 0.051 0.000 1.083 67 C CA -0.342 58.715 59.018 0.065 0.000 1.337 67 C CB -0.748 27.053 27.740 0.102 0.000 1.694 67 C HN 1.101 nan 8.230 nan 0.000 0.477 68 Q N 3.831 123.632 119.800 0.001 0.000 2.385 68 Q HA -0.219 4.121 4.340 -0.000 0.000 0.311 68 Q C 0.987 176.957 176.000 -0.049 0.000 1.259 68 Q CA 1.330 57.090 55.803 -0.071 0.000 0.921 68 Q CB -0.916 27.674 28.738 -0.246 0.000 1.209 68 Q HN 1.299 nan 8.270 nan 0.000 0.473 69 T N -4.222 110.324 114.554 -0.013 0.000 4.881 69 T HA -0.330 4.020 4.350 -0.000 0.000 0.318 69 T C 1.004 175.710 174.700 0.011 0.000 1.054 69 T CA 1.206 63.304 62.100 -0.002 0.000 2.138 69 T CB -2.396 66.465 68.868 -0.011 0.000 2.039 69 T HN 0.851 nan 8.240 nan 0.000 0.926 70 C N -0.349 118.970 119.300 0.030 0.000 2.799 70 C HA 0.463 4.923 4.460 -0.000 0.000 0.267 70 C C 1.457 176.484 174.990 0.061 0.000 1.257 70 C CA 0.043 59.097 59.018 0.061 0.000 1.702 70 C CB -0.559 27.259 27.740 0.129 0.000 1.934 70 C HN 0.778 nan 8.230 nan 0.000 0.594 71 Q N 0.804 120.633 119.800 0.049 0.000 1.113 71 Q HA -0.340 4.000 4.340 -0.000 0.000 0.352 71 Q C 0.734 176.758 176.000 0.039 0.000 1.021 71 Q CA 1.535 57.361 55.803 0.038 0.000 0.584 71 Q CB -1.279 27.477 28.738 0.030 0.000 4.825 71 Q HN 0.653 nan 8.270 nan 0.000 0.491 72 E N -1.560 118.657 120.200 0.028 0.000 4.458 72 E HA -0.325 4.025 4.350 -0.000 0.000 0.172 72 E C 0.584 177.191 176.600 0.012 0.000 1.192 72 E CA 1.500 57.913 56.400 0.021 0.000 2.456 72 E CB -1.577 28.137 29.700 0.023 0.000 1.755 72 E HN 1.375 nan 8.360 nan 0.000 0.473 73 G N 0.145 108.951 108.800 0.011 0.000 2.526 73 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.250 73 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.250 73 G C -0.222 174.671 174.900 -0.011 0.000 1.289 73 G CA -0.133 44.968 45.100 0.001 0.000 0.947 73 G HN 0.119 nan 8.290 nan 0.000 0.517 74 M N 2.310 121.900 119.600 -0.017 0.000 3.698 74 M HA 0.247 4.726 4.480 -0.000 0.000 0.183 74 M C 0.422 176.706 176.300 -0.027 0.000 1.633 74 M CA 0.446 55.729 55.300 -0.027 0.000 1.740 74 M CB -1.087 31.495 32.600 -0.031 0.000 1.191 74 M HN 0.563 nan 8.290 nan 0.000 0.535 75 N N 0.918 119.602 118.700 -0.026 0.000 5.821 75 N HA -0.058 4.682 4.740 -0.000 0.000 0.152 75 N C -1.310 174.189 175.510 -0.018 0.000 1.010 75 N CA -0.117 52.919 53.050 -0.024 0.000 1.037 75 N CB 0.737 39.213 38.487 -0.019 0.000 1.521 75 N HN 0.489 nan 8.380 nan 0.000 0.788 76 E N 0.304 120.492 120.200 -0.019 0.000 2.287 76 E HA -0.178 4.172 4.350 -0.000 0.000 0.229 76 E C -0.940 175.649 176.600 -0.018 0.000 1.194 76 E CA 0.869 57.261 56.400 -0.013 0.000 0.704 76 E CB -1.504 28.195 29.700 -0.003 0.000 1.216 76 E HN 0.483 nan 8.360 nan 0.000 0.381 77 C N 1.738 121.014 119.300 -0.040 0.000 2.949 77 C HA 0.318 4.778 4.460 -0.000 0.000 0.306 77 C C -2.316 172.593 174.990 -0.135 0.000 1.045 77 C CA -1.703 57.272 59.018 -0.073 0.000 1.414 77 C CB 0.426 28.128 27.740 -0.064 0.000 1.854 77 C HN 0.225 nan 8.230 nan 0.000 0.487 78 P HA 0.167 nan 4.420 nan 0.000 0.258 78 P C 0.828 177.923 177.300 -0.343 0.000 1.563 78 P CA 0.779 63.785 63.100 -0.157 0.000 1.241 78 P CB -0.145 31.511 31.700 -0.074 0.000 1.811 79 G N 3.917 112.562 108.800 -0.258 0.000 2.368 79 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.247 79 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.247 79 G C -0.070 174.656 174.900 -0.289 0.000 0.855 79 G CA -0.173 44.756 45.100 -0.284 0.000 0.943 79 G HN 0.564 nan 8.290 nan 0.000 0.374 80 H N 1.535 120.607 119.070 0.004 0.000 2.487 80 H HA 0.310 4.866 4.556 -0.000 0.000 0.333 80 H C 0.059 175.400 175.328 0.022 0.000 1.114 80 H CA -0.578 55.520 56.048 0.084 0.000 1.310 80 H CB 0.995 30.794 29.762 0.062 0.000 1.462 80 H HN 0.319 nan 8.280 nan 0.000 0.516 81 F N 0.585 120.605 119.950 0.117 0.000 2.418 81 F HA 0.291 4.818 4.527 -0.000 0.000 0.341 81 F C 1.469 177.288 175.800 0.031 0.000 1.120 81 F CA 0.242 58.268 58.000 0.043 0.000 1.232 81 F CB 0.764 39.760 39.000 -0.006 0.000 1.175 81 F HN 0.535 nan 8.300 nan 0.000 0.569 82 G N 0.116 108.990 108.800 0.124 0.000 2.557 82 G HA2 0.440 4.400 3.960 -0.000 0.000 0.302 82 G HA3 0.440 4.400 3.960 -0.000 0.000 0.302 82 G C -1.898 173.091 174.900 0.147 0.000 1.311 82 G CA -0.260 44.898 45.100 0.097 0.000 1.030 82 G HN 0.700 nan 8.290 nan 0.000 0.509 83 H N -1.545 117.523 119.070 -0.004 0.000 2.895 83 H HA 0.736 5.292 4.556 -0.000 0.000 0.373 83 H C -1.273 174.039 175.328 -0.026 0.000 1.174 83 H CA -0.996 55.039 56.048 -0.022 0.000 1.144 83 H CB 1.843 31.591 29.762 -0.023 0.000 1.793 83 H HN 0.570 nan 8.280 nan 0.000 0.551 84 I N 3.654 123.835 120.570 -0.649 0.000 2.750 84 I HA 0.158 4.327 4.170 -0.000 0.000 0.283 84 I C -1.766 174.093 176.117 -0.430 0.000 1.464 84 I CA -0.507 60.492 61.300 -0.501 0.000 1.093 84 I CB 1.402 39.270 38.000 -0.221 0.000 1.417 84 I HN 0.627 nan 8.210 nan 0.000 0.424 85 D N 8.636 128.804 120.400 -0.387 0.000 2.277 85 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 85 D C -0.189 176.057 176.300 -0.090 0.000 1.134 85 D CA -0.043 53.852 54.000 -0.176 0.000 0.863 85 D CB 2.126 42.867 40.800 -0.099 0.000 1.143 85 D HN 0.411 nan 8.370 nan 0.000 0.458 86 L N 1.743 122.938 121.223 -0.047 0.000 2.375 86 L HA 0.312 4.652 4.340 -0.000 0.000 0.271 86 L C 1.492 178.362 176.870 -0.001 0.000 1.107 86 L CA -0.647 54.184 54.840 -0.016 0.000 0.806 86 L CB 1.229 43.291 42.059 0.006 0.000 1.146 86 L HN 0.426 nan 8.230 nan 0.000 0.447 87 A N 3.910 126.734 122.820 0.007 0.000 2.213 87 A HA 0.014 4.334 4.320 -0.000 0.000 0.192 87 A C 0.715 178.307 177.584 0.013 0.000 1.296 87 A CA 0.785 52.826 52.037 0.007 0.000 0.703 87 A CB -0.214 18.789 19.000 0.005 0.000 0.941 87 A HN 0.697 nan 8.150 nan 0.000 0.517 88 K N 1.401 121.813 120.400 0.020 0.000 2.298 88 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 88 K C -2.485 174.143 176.600 0.047 0.000 1.032 88 K CA -1.693 54.612 56.287 0.031 0.000 0.958 88 K CB 0.304 32.826 32.500 0.037 0.000 0.978 88 K HN 0.367 nan 8.250 nan 0.000 0.472 89 P HA -0.066 nan 4.420 nan 0.000 0.262 89 P C -0.400 176.963 177.300 0.105 0.000 1.182 89 P CA 0.139 63.268 63.100 0.049 0.000 0.761 89 P CB 0.546 32.257 31.700 0.017 0.000 0.795 90 V N 4.159 124.140 119.914 0.112 0.000 3.211 90 V HA 0.413 4.532 4.120 -0.000 0.000 0.319 90 V C 0.459 176.703 176.094 0.249 0.000 1.096 90 V CA -0.529 61.892 62.300 0.202 0.000 1.029 90 V CB 0.827 32.741 31.823 0.152 0.000 1.137 90 V HN 0.333 nan 8.190 nan 0.000 0.453 91 F N 0.139 120.125 119.950 0.060 0.000 2.440 91 F HA 0.441 4.968 4.527 -0.000 0.000 0.328 91 F C 0.309 176.201 175.800 0.153 0.000 1.070 91 F CA -0.573 57.478 58.000 0.086 0.000 1.011 91 F CB 0.884 39.929 39.000 0.075 0.000 1.226 91 F HN 0.501 nan 8.300 nan 0.000 0.491 92 H N 1.840 121.021 119.070 0.186 0.000 2.597 92 H HA 0.358 4.914 4.556 -0.000 0.000 0.303 92 H C 0.710 176.134 175.328 0.159 0.000 1.057 92 H CA -0.747 55.391 56.048 0.150 0.000 1.261 92 H CB 1.048 30.887 29.762 0.129 0.000 1.397 92 H HN 0.514 nan 8.280 nan 0.000 0.461 93 V N 3.851 123.998 119.914 0.389 0.000 2.226 93 V HA -0.353 3.766 4.120 -0.000 0.000 0.254 93 V C 2.534 178.638 176.094 0.017 0.000 1.065 93 V CA 2.230 64.652 62.300 0.203 0.000 1.039 93 V CB -1.277 30.651 31.823 0.174 0.000 0.653 93 V HN 0.942 nan 8.190 nan 0.000 0.450 94 G N -1.538 107.116 108.800 -0.242 0.000 2.527 94 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.219 94 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.219 94 G C 1.175 175.535 174.900 -0.901 0.000 1.117 94 G CA 0.777 45.449 45.100 -0.713 0.000 0.759 94 G HN 0.566 nan 8.290 nan 0.000 0.556 95 F N -0.598 119.067 119.950 -0.475 0.000 2.724 95 F HA 0.387 4.914 4.527 -0.000 0.000 0.306 95 F C 2.209 177.991 175.800 -0.030 0.000 1.100 95 F CA -0.703 57.139 58.000 -0.263 0.000 1.255 95 F CB 0.184 38.997 39.000 -0.312 0.000 1.072 95 F HN 0.005 nan 8.300 nan 0.000 0.589 96 I N 0.638 121.316 120.570 0.180 0.000 2.091 96 I HA -0.456 3.714 4.170 -0.000 0.000 0.240 96 I C 2.742 178.968 176.117 0.182 0.000 1.046 96 I CA 1.718 63.172 61.300 0.255 0.000 1.306 96 I CB -0.688 37.429 38.000 0.196 0.000 1.018 96 I HN 0.178 nan 8.210 nan 0.000 0.404 97 A N 0.456 123.329 122.820 0.088 0.000 1.927 97 A HA -0.266 4.053 4.320 -0.000 0.000 0.220 97 A C 2.303 179.931 177.584 0.073 0.000 1.185 97 A CA 1.878 53.944 52.037 0.048 0.000 0.639 97 A CB -0.475 18.520 19.000 -0.009 0.000 0.820 97 A HN 0.310 nan 8.150 nan 0.000 0.451 98 K N -0.263 120.204 120.400 0.111 0.000 1.985 98 K HA -0.100 4.220 4.320 -0.000 0.000 0.210 98 K C 1.928 178.692 176.600 0.273 0.000 1.047 98 K CA 1.552 57.948 56.287 0.182 0.000 0.932 98 K CB -0.868 31.767 32.500 0.224 0.000 0.716 98 K HN 0.616 nan 8.250 nan 0.000 0.439 99 I N 1.662 122.428 120.570 0.327 0.000 2.143 99 I HA -0.402 3.768 4.170 -0.000 0.000 0.245 99 I C 2.352 178.712 176.117 0.406 0.000 1.068 99 I CA 1.697 63.265 61.300 0.446 0.000 1.326 99 I CB -0.423 37.825 38.000 0.413 0.000 1.028 99 I HN 0.252 nan 8.210 nan 0.000 0.412 100 K N 1.175 121.745 120.400 0.283 0.000 1.965 100 K HA -0.214 4.106 4.320 -0.000 0.000 0.218 100 K C 2.015 178.734 176.600 0.197 0.000 1.048 100 K CA 1.660 58.079 56.287 0.221 0.000 0.960 100 K CB -0.390 32.195 32.500 0.142 0.000 0.732 100 K HN 0.207 nan 8.250 nan 0.000 0.444 101 K N 0.679 121.114 120.400 0.059 0.000 2.227 101 K HA -0.226 4.093 4.320 -0.000 0.000 0.208 101 K C 2.059 178.713 176.600 0.089 0.000 1.045 101 K CA 1.788 57.955 56.287 -0.201 0.000 0.931 101 K CB -0.358 31.869 32.500 -0.456 0.000 0.721 101 K HN 0.021 nan 8.250 nan 0.000 0.469 102 V N 0.138 120.218 119.914 0.278 0.000 2.407 102 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 102 V C 2.315 178.498 176.094 0.148 0.000 1.041 102 V CA 1.290 63.738 62.300 0.246 0.000 1.040 102 V CB -0.223 31.655 31.823 0.091 0.000 0.671 102 V HN 0.435 nan 8.190 nan 0.000 0.455 103 C N 0.394 119.833 119.300 0.233 0.000 2.419 103 C HA -0.123 4.337 4.460 -0.000 0.000 0.281 103 C C 2.338 177.437 174.990 0.182 0.000 1.336 103 C CA 0.979 60.144 59.018 0.244 0.000 1.770 103 C CB -1.096 26.828 27.740 0.306 0.000 1.929 103 C HN 0.611 nan 8.230 nan 0.000 0.509 104 E N -1.447 118.883 120.200 0.217 0.000 2.476 104 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 104 E C 1.423 178.129 176.600 0.177 0.000 1.064 104 E CA 0.189 56.711 56.400 0.205 0.000 0.866 104 E CB 0.039 29.940 29.700 0.334 0.000 0.952 104 E HN 0.671 nan 8.360 nan 0.000 0.492 105 C N 0.091 119.495 119.300 0.173 0.000 3.188 105 C HA 0.215 4.674 4.460 -0.000 0.000 0.315 105 C C 0.694 175.726 174.990 0.071 0.000 1.285 105 C CA -0.382 58.711 59.018 0.125 0.000 1.729 105 C CB 0.479 28.312 27.740 0.154 0.000 2.257 105 C HN 0.025 nan 8.230 nan 0.000 0.645 106 V N 0.285 120.238 119.914 0.065 0.000 2.628 106 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 106 V C -0.033 176.100 176.094 0.065 0.000 1.045 106 V CA -0.830 61.495 62.300 0.041 0.000 0.905 106 V CB 1.378 33.202 31.823 0.000 0.000 0.997 106 V HN 0.380 nan 8.190 nan 0.000 0.436 107 C N 6.809 126.148 119.300 0.064 0.000 2.637 107 C HA 0.388 4.848 4.460 -0.000 0.000 0.418 107 C C 0.540 175.591 174.990 0.102 0.000 1.319 107 C CA -0.622 58.448 59.018 0.087 0.000 1.949 107 C CB -0.469 27.324 27.740 0.089 0.000 2.639 107 C HN 0.784 nan 8.230 nan 0.000 0.594 108 M N 6.812 126.472 119.600 0.099 0.000 2.233 108 M HA 0.260 4.740 4.480 -0.000 0.000 0.350 108 M C 0.974 177.288 176.300 0.023 0.000 1.176 108 M CA 0.767 56.080 55.300 0.022 0.000 1.150 108 M CB 0.096 32.675 32.600 -0.036 0.000 1.530 108 M HN 0.963 nan 8.290 nan 0.000 0.459 109 H N 0.278 119.440 119.070 0.152 0.000 4.672 109 H HA -0.180 4.376 4.556 -0.000 0.000 0.082 109 H C 1.433 176.826 175.328 0.108 0.000 0.614 109 H CA 1.907 58.028 56.048 0.122 0.000 0.970 109 H CB -1.243 28.569 29.762 0.083 0.000 0.416 109 H HN 0.892 nan 8.280 nan 0.000 0.796 110 C N 1.476 120.903 119.300 0.211 0.000 2.791 110 C HA 0.676 5.136 4.460 -0.000 0.000 0.288 110 C C 1.783 176.837 174.990 0.106 0.000 1.271 110 C CA 1.113 60.202 59.018 0.118 0.000 1.726 110 C CB -0.031 27.755 27.740 0.077 0.000 2.145 110 C HN 1.322 nan 8.230 nan 0.000 0.572 111 G N 1.581 110.451 108.800 0.117 0.000 2.314 111 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.292 111 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.292 111 G C -0.273 174.632 174.900 0.009 0.000 1.059 111 G CA 0.695 45.843 45.100 0.079 0.000 0.982 111 G HN 0.905 nan 8.290 nan 0.000 0.505 112 K N -0.159 120.249 120.400 0.014 0.000 2.316 112 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 112 K C 0.860 177.456 176.600 -0.006 0.000 0.934 112 K CA -1.185 55.094 56.287 -0.014 0.000 0.802 112 K CB 0.959 33.460 32.500 0.001 0.000 1.171 112 K HN 0.138 nan 8.250 nan 0.000 0.426 113 L N 5.711 126.920 121.223 -0.024 0.000 2.640 113 L HA -0.110 4.230 4.340 -0.000 0.000 0.280 113 L C 1.444 178.321 176.870 0.010 0.000 1.229 113 L CA 0.193 55.029 54.840 -0.006 0.000 0.919 113 L CB 0.366 42.417 42.059 -0.013 0.000 1.168 113 L HN 0.808 nan 8.230 nan 0.000 0.496 114 L N 4.802 126.036 121.223 0.019 0.000 2.187 114 L HA -0.126 4.213 4.340 -0.000 0.000 0.213 114 L C 0.504 177.383 176.870 0.016 0.000 1.100 114 L CA 1.112 55.964 54.840 0.020 0.000 0.765 114 L CB -0.353 41.714 42.059 0.013 0.000 0.904 114 L HN 0.503 nan 8.230 nan 0.000 0.437 115 L N -0.610 120.619 121.223 0.010 0.000 2.408 115 L HA 0.391 4.731 4.340 -0.000 0.000 0.268 115 L C -0.867 176.002 176.870 -0.002 0.000 0.986 115 L CA -0.707 54.139 54.840 0.009 0.000 0.820 115 L CB 2.235 44.293 42.059 -0.001 0.000 1.303 115 L HN -0.084 nan 8.230 nan 0.000 0.411 116 D N 0.868 121.267 120.400 -0.001 0.000 2.595 116 D HA 0.188 4.828 4.640 -0.000 0.000 0.268 116 D C 0.524 176.747 176.300 -0.127 0.000 1.181 116 D CA -0.461 53.495 54.000 -0.074 0.000 1.085 116 D CB 0.838 41.581 40.800 -0.095 0.000 1.186 116 D HN 0.473 nan 8.370 nan 0.000 0.621 117 E N -0.567 119.469 120.200 -0.273 0.000 2.274 117 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 117 E C 1.609 178.101 176.600 -0.179 0.000 0.996 117 E CA 0.760 57.025 56.400 -0.225 0.000 0.840 117 E CB -0.096 29.452 29.700 -0.254 0.000 0.772 117 E HN 0.352 nan 8.360 nan 0.000 0.491 118 H N 0.558 119.627 119.070 -0.002 0.000 2.457 118 H HA -0.058 4.498 4.556 -0.000 0.000 0.297 118 H C 0.912 176.238 175.328 -0.003 0.000 1.092 118 H CA 0.766 56.813 56.048 -0.002 0.000 1.309 118 H CB -0.330 29.430 29.762 -0.003 0.000 1.382 118 H HN 0.098 nan 8.280 nan 0.000 0.535 119 N N 1.720 120.468 118.700 0.079 0.000 2.430 119 N HA -0.069 4.670 4.740 -0.000 0.000 0.265 119 N C 0.999 176.519 175.510 0.018 0.000 1.100 119 N CA 0.148 53.223 53.050 0.042 0.000 0.961 119 N CB 1.331 39.833 38.487 0.025 0.000 1.075 119 N HN 0.346 nan 8.380 nan 0.000 0.478 120 E N 3.720 123.931 120.200 0.018 0.000 2.152 120 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 120 E C 1.570 178.171 176.600 0.002 0.000 0.983 120 E CA 0.521 56.927 56.400 0.009 0.000 0.818 120 E CB 0.288 29.994 29.700 0.011 0.000 0.758 120 E HN 0.664 nan 8.360 nan 0.000 0.467 121 L N 0.261 121.484 121.223 -0.000 0.000 1.994 121 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 121 L C 2.698 179.564 176.870 -0.006 0.000 1.071 121 L CA 1.264 56.101 54.840 -0.005 0.000 0.745 121 L CB -0.320 41.732 42.059 -0.012 0.000 0.892 121 L HN 0.331 nan 8.230 nan 0.000 0.431 122 M N -0.075 119.521 119.600 -0.007 0.000 2.202 122 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 122 M C 2.164 178.460 176.300 -0.006 0.000 1.063 122 M CA 1.724 57.019 55.300 -0.007 0.000 1.097 122 M CB -0.381 32.213 32.600 -0.010 0.000 1.382 122 M HN 0.012 nan 8.290 nan 0.000 0.413 123 R N -0.487 120.009 120.500 -0.008 0.000 2.081 123 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 123 R C 2.260 178.560 176.300 0.001 0.000 1.131 123 R CA 2.009 58.104 56.100 -0.008 0.000 0.960 123 R CB -0.574 29.721 30.300 -0.008 0.000 0.856 123 R HN 0.610 nan 8.270 nan 0.000 0.436 124 Q N 0.167 119.969 119.800 0.003 0.000 2.096 124 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 124 Q C 2.150 178.158 176.000 0.012 0.000 0.982 124 Q CA 1.604 57.411 55.803 0.007 0.000 0.850 124 Q CB -0.171 28.570 28.738 0.005 0.000 0.901 124 Q HN 0.371 nan 8.270 nan 0.000 0.422 125 A N 0.543 123.371 122.820 0.012 0.000 2.119 125 A HA -0.043 4.276 4.320 -0.000 0.000 0.217 125 A C 1.889 179.491 177.584 0.031 0.000 1.153 125 A CA 0.741 52.791 52.037 0.022 0.000 0.692 125 A CB -0.262 18.749 19.000 0.018 0.000 0.799 125 A HN 0.258 nan 8.150 nan 0.000 0.458 126 L N -1.652 119.584 121.223 0.022 0.000 2.477 126 L HA 0.085 4.425 4.340 -0.000 0.000 0.220 126 L C 2.714 179.599 176.870 0.026 0.000 1.106 126 L CA 0.648 55.503 54.840 0.026 0.000 0.851 126 L CB -0.229 41.837 42.059 0.011 0.000 0.994 126 L HN 0.372 nan 8.230 nan 0.000 0.462 127 A N 0.266 123.099 122.820 0.021 0.000 2.021 127 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 127 A C 1.256 178.857 177.584 0.027 0.000 1.163 127 A CA 0.030 52.080 52.037 0.021 0.000 0.676 127 A CB -0.294 18.716 19.000 0.016 0.000 0.818 127 A HN 0.220 nan 8.150 nan 0.000 0.453 128 I N 1.181 121.769 120.570 0.030 0.000 2.828 128 I HA -0.089 4.081 4.170 -0.000 0.000 0.292 128 I C 0.188 176.330 176.117 0.041 0.000 1.206 128 I CA 0.634 61.955 61.300 0.035 0.000 1.420 128 I CB 0.454 38.478 38.000 0.040 0.000 1.368 128 I HN 0.212 nan 8.210 nan 0.000 0.556 129 K N 6.242 126.664 120.400 0.038 0.000 2.778 129 K HA 0.258 4.578 4.320 -0.000 0.000 0.238 129 K C -1.092 175.533 176.600 0.041 0.000 1.233 129 K CA -0.181 56.129 56.287 0.040 0.000 1.195 129 K CB 0.070 32.590 32.500 0.034 0.000 1.743 129 K HN 0.491 nan 8.250 nan 0.000 0.418 130 D N 0.426 120.854 120.400 0.048 0.000 2.613 130 D HA -0.034 4.606 4.640 -0.000 0.000 0.230 130 D C 0.932 177.265 176.300 0.055 0.000 1.365 130 D CA -0.063 53.965 54.000 0.046 0.000 0.976 130 D CB 1.865 42.691 40.800 0.045 0.000 1.415 130 D HN 0.208 nan 8.370 nan 0.000 0.589 131 S N 2.830 118.554 115.700 0.041 0.000 2.412 131 S HA -0.355 4.114 4.470 -0.000 0.000 0.246 131 S C 1.640 176.286 174.600 0.076 0.000 1.073 131 S CA 1.100 59.319 58.200 0.033 0.000 1.186 131 S CB -0.165 63.015 63.200 -0.034 0.000 1.084 131 S HN 0.448 nan 8.310 nan 0.000 0.434 132 K N 1.324 121.757 120.400 0.056 0.000 2.044 132 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 132 K C 2.548 179.215 176.600 0.111 0.000 1.049 132 K CA 1.949 58.285 56.287 0.082 0.000 0.927 132 K CB -0.248 32.280 32.500 0.047 0.000 0.713 132 K HN 0.507 nan 8.250 nan 0.000 0.443 133 K N 0.291 120.742 120.400 0.085 0.000 1.984 133 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 133 K C 2.301 178.959 176.600 0.096 0.000 1.046 133 K CA 1.150 57.483 56.287 0.077 0.000 0.934 133 K CB -0.179 32.356 32.500 0.058 0.000 0.717 133 K HN 0.093 nan 8.250 nan 0.000 0.438 134 R N 0.399 120.964 120.500 0.109 0.000 2.127 134 R HA -0.184 4.156 4.340 -0.000 0.000 0.228 134 R C 2.275 178.675 176.300 0.168 0.000 1.125 134 R CA 2.018 58.193 56.100 0.124 0.000 0.904 134 R CB -0.737 29.643 30.300 0.133 0.000 0.831 134 R HN 0.153 nan 8.270 nan 0.000 0.431 135 F N 1.075 121.060 119.950 0.058 0.000 2.225 135 F HA -0.275 4.252 4.527 -0.000 0.000 0.302 135 F C 2.021 177.888 175.800 0.110 0.000 1.068 135 F CA 1.453 59.497 58.000 0.074 0.000 1.327 135 F CB -0.206 38.806 39.000 0.020 0.000 1.043 135 F HN 0.107 nan 8.300 nan 0.000 0.506 136 A N -0.449 122.419 122.820 0.080 0.000 1.911 136 A HA 0.257 4.577 4.320 -0.000 0.000 0.212 136 A C 2.349 179.981 177.584 0.080 0.000 1.189 136 A CA 0.881 52.952 52.037 0.056 0.000 0.639 136 A CB -1.302 17.749 19.000 0.085 0.000 0.839 136 A HN 0.365 nan 8.150 nan 0.000 0.449 137 A N 0.054 122.912 122.820 0.063 0.000 1.930 137 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 137 A C 2.066 179.664 177.584 0.024 0.000 1.175 137 A CA 1.437 53.498 52.037 0.041 0.000 0.627 137 A CB -0.538 18.486 19.000 0.039 0.000 0.815 137 A HN 0.480 nan 8.150 nan 0.000 0.443 138 I N -2.767 117.823 120.570 0.034 0.000 2.233 138 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 138 I C 2.393 178.515 176.117 0.008 0.000 1.093 138 I CA 1.225 62.538 61.300 0.021 0.000 1.380 138 I CB -0.378 37.651 38.000 0.049 0.000 1.067 138 I HN 0.665 nan 8.210 nan 0.000 0.413 139 W N 2.015 123.184 121.300 -0.218 0.000 2.335 139 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 139 W C 2.544 178.974 176.519 -0.149 0.000 1.213 139 W CA 2.218 59.417 57.345 -0.243 0.000 1.274 139 W CB -0.655 28.554 29.460 -0.418 0.000 1.148 139 W HN -0.050 nan 8.180 nan 0.000 0.498 140 T N 1.222 115.650 114.554 -0.209 0.000 2.867 140 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 140 T C 1.917 176.442 174.700 -0.291 0.000 1.057 140 T CA 1.594 63.464 62.100 -0.383 0.000 1.136 140 T CB -0.357 68.426 68.868 -0.141 0.000 0.874 140 T HN 0.128 nan 8.240 nan 0.000 0.466 141 L N 0.776 121.895 121.223 -0.173 0.000 2.068 141 L HA -0.021 4.319 4.340 -0.000 0.000 0.204 141 L C 2.745 179.533 176.870 -0.138 0.000 1.076 141 L CA 1.144 55.909 54.840 -0.126 0.000 0.753 141 L CB -0.357 41.662 42.059 -0.066 0.000 0.910 141 L HN 0.472 nan 8.230 nan 0.000 0.439 142 C N -1.814 117.403 119.300 -0.138 0.000 2.906 142 C HA 0.127 4.586 4.460 -0.000 0.000 0.274 142 C C 2.376 177.273 174.990 -0.155 0.000 1.257 142 C CA -0.611 58.340 59.018 -0.113 0.000 1.695 142 C CB -0.980 26.728 27.740 -0.053 0.000 1.958 142 C HN 0.463 nan 8.230 nan 0.000 0.619 143 K N 1.461 121.685 120.400 -0.295 0.000 2.360 143 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 143 K C 1.507 177.971 176.600 -0.227 0.000 1.046 143 K CA 1.886 57.973 56.287 -0.333 0.000 0.945 143 K CB -0.742 31.312 32.500 -0.743 0.000 0.750 143 K HN 0.434 nan 8.250 nan 0.000 0.464 144 T N 1.321 115.752 114.554 -0.205 0.000 2.701 144 T HA -0.071 4.278 4.350 -0.000 0.000 0.263 144 T C 0.477 175.123 174.700 -0.091 0.000 1.040 144 T CA 0.937 62.951 62.100 -0.143 0.000 1.147 144 T CB -0.041 68.750 68.868 -0.128 0.000 0.865 144 T HN 0.278 nan 8.240 nan 0.000 0.426 145 K N 1.304 121.662 120.400 -0.072 0.000 2.448 145 K HA 0.183 4.503 4.320 -0.000 0.000 0.278 145 K C 0.067 176.650 176.600 -0.028 0.000 1.009 145 K CA 0.495 56.759 56.287 -0.038 0.000 0.995 145 K CB 0.343 32.829 32.500 -0.023 0.000 0.917 145 K HN 0.282 nan 8.250 nan 0.000 0.481 146 M N 2.408 122.001 119.600 -0.011 0.000 2.747 146 M HA 0.148 4.628 4.480 -0.000 0.000 0.402 146 M C -1.209 175.116 176.300 0.041 0.000 1.238 146 M CA -0.196 55.106 55.300 0.003 0.000 0.877 146 M CB 1.163 33.753 32.600 -0.018 0.000 1.424 146 M HN 0.128 nan 8.290 nan 0.000 0.511 147 V N 0.172 120.110 119.914 0.040 0.000 2.577 147 V HA 0.146 4.265 4.120 -0.000 0.000 0.294 147 V C -0.675 175.448 176.094 0.049 0.000 1.052 147 V CA -1.222 61.111 62.300 0.055 0.000 0.891 147 V CB 2.074 33.922 31.823 0.043 0.000 1.017 147 V HN 0.419 nan 8.190 nan 0.000 0.436 148 C N 5.889 125.228 119.300 0.065 0.000 2.667 148 C HA 0.207 4.667 4.460 -0.000 0.000 0.385 148 C C 1.007 176.024 174.990 0.045 0.000 1.299 148 C CA -0.184 58.868 59.018 0.058 0.000 1.554 148 C CB -1.407 26.378 27.740 0.075 0.000 2.275 148 C HN 0.894 nan 8.230 nan 0.000 0.588 149 E N 3.715 123.936 120.200 0.035 0.000 2.442 149 E HA 0.015 4.365 4.350 -0.000 0.000 0.262 149 E C 0.980 177.594 176.600 0.022 0.000 1.004 149 E CA 0.299 56.715 56.400 0.025 0.000 0.928 149 E CB 0.805 30.518 29.700 0.022 0.000 0.937 149 E HN 0.718 nan 8.360 nan 0.000 0.446 150 T N 1.663 116.223 114.554 0.010 0.000 3.039 150 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 150 T C -0.204 174.487 174.700 -0.015 0.000 1.052 150 T CA 0.368 62.470 62.100 0.003 0.000 1.125 150 T CB 0.321 69.189 68.868 0.000 0.000 0.908 150 T HN 0.399 nan 8.240 nan 0.000 0.473 151 D N 0.562 120.948 120.400 -0.024 0.000 2.857 151 D HA 0.552 5.192 4.640 -0.000 0.000 0.227 151 D C -1.284 174.984 176.300 -0.054 0.000 1.192 151 D CA -0.276 53.693 54.000 -0.052 0.000 0.857 151 D CB 3.113 43.886 40.800 -0.045 0.000 1.645 151 D HN -0.068 nan 8.370 nan 0.000 0.482 152 V N 2.071 121.928 119.914 -0.096 0.000 2.709 152 V HA 0.357 4.477 4.120 -0.000 0.000 0.308 152 V C -2.347 173.695 176.094 -0.087 0.000 1.062 152 V CA -1.761 60.496 62.300 -0.072 0.000 0.901 152 V CB 2.516 34.312 31.823 -0.044 0.000 1.003 152 V HN 0.392 nan 8.190 nan 0.000 0.425 153 P HA 0.020 nan 4.420 nan 0.000 0.258 153 P C 0.378 177.657 177.300 -0.035 0.000 1.187 153 P CA 0.411 63.490 63.100 -0.036 0.000 0.767 153 P CB 0.367 32.057 31.700 -0.017 0.000 0.770 154 S N 2.968 118.641 115.700 -0.046 0.000 2.614 154 S HA -0.084 4.386 4.470 -0.000 0.000 0.251 154 S C 1.144 175.747 174.600 0.005 0.000 1.388 154 S CA -0.080 58.102 58.200 -0.030 0.000 0.973 154 S CB 0.052 63.234 63.200 -0.029 0.000 0.926 154 S HN 0.502 nan 8.310 nan 0.000 0.580 155 E N 0.542 120.755 120.200 0.022 0.000 2.482 155 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 155 E C 0.161 176.770 176.600 0.014 0.000 1.047 155 E CA 0.531 56.947 56.400 0.027 0.000 0.869 155 E CB -0.070 29.651 29.700 0.036 0.000 0.836 155 E HN 0.546 nan 8.360 nan 0.000 0.520 156 D N 0.916 121.320 120.400 0.007 0.000 2.463 156 D HA 0.055 4.694 4.640 -0.000 0.000 0.247 156 D C 0.108 176.408 176.300 -0.000 0.000 1.240 156 D CA -0.365 53.637 54.000 0.003 0.000 1.151 156 D CB -0.056 40.745 40.800 0.001 0.000 1.180 156 D HN -0.107 nan 8.370 nan 0.000 0.532 157 D N 2.200 122.599 120.400 -0.003 0.000 2.458 157 D HA 0.039 4.679 4.640 -0.000 0.000 0.243 157 D C -1.416 174.880 176.300 -0.007 0.000 1.146 157 D CA -0.792 53.206 54.000 -0.004 0.000 0.877 157 D CB 1.071 41.868 40.800 -0.005 0.000 1.176 157 D HN 0.111 nan 8.370 nan 0.000 0.461 158 P HA -0.080 nan 4.420 nan 0.000 0.239 158 P C 1.044 178.337 177.300 -0.011 0.000 1.184 158 P CA 0.533 63.627 63.100 -0.009 0.000 0.760 158 P CB 0.284 31.980 31.700 -0.006 0.000 0.884 159 T N -0.359 114.189 114.554 -0.010 0.000 2.708 159 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 159 T C 1.018 175.709 174.700 -0.014 0.000 1.037 159 T CA 1.164 63.257 62.100 -0.010 0.000 1.146 159 T CB -0.300 68.563 68.868 -0.008 0.000 0.865 159 T HN 0.354 nan 8.240 nan 0.000 0.435 160 Q N 0.585 120.376 119.800 -0.016 0.000 2.235 160 Q HA 0.585 4.925 4.340 -0.000 0.000 0.250 160 Q C -0.871 175.110 176.000 -0.031 0.000 0.909 160 Q CA -0.243 55.548 55.803 -0.021 0.000 0.910 160 Q CB 1.400 30.126 28.738 -0.020 0.000 1.223 160 Q HN 0.354 nan 8.270 nan 0.000 0.432 161 L N 1.673 122.874 121.223 -0.037 0.000 2.334 161 L HA 0.613 4.953 4.340 -0.000 0.000 0.273 161 L C -0.632 176.195 176.870 -0.072 0.000 1.013 161 L CA -1.206 53.602 54.840 -0.053 0.000 0.816 161 L CB 1.758 43.791 42.059 -0.043 0.000 1.278 161 L HN 0.328 nan 8.230 nan 0.000 0.431 162 V N 0.766 120.610 119.914 -0.117 0.000 2.483 162 V HA 0.296 4.415 4.120 -0.000 0.000 0.295 162 V C 0.224 176.227 176.094 -0.152 0.000 1.035 162 V CA -0.659 61.550 62.300 -0.152 0.000 0.896 162 V CB 1.825 33.493 31.823 -0.259 0.000 0.986 162 V HN 0.907 nan 8.190 nan 0.000 0.447 163 S N 5.900 121.541 115.700 -0.098 0.000 2.548 163 S HA 0.707 5.177 4.470 -0.000 0.000 0.277 163 S C -0.144 174.424 174.600 -0.053 0.000 1.315 163 S CA -0.784 57.378 58.200 -0.063 0.000 1.050 163 S CB 1.020 64.199 63.200 -0.035 0.000 0.918 163 S HN 0.876 nan 8.310 nan 0.000 0.497 164 R N 1.507 121.994 120.500 -0.022 0.000 3.288 164 R HA 0.756 5.096 4.340 -0.000 0.000 0.245 164 R C 0.342 176.659 176.300 0.028 0.000 1.436 164 R CA -1.008 55.110 56.100 0.030 0.000 1.036 164 R CB -0.405 29.937 30.300 0.070 0.000 1.500 164 R HN 0.659 nan 8.270 nan 0.000 0.493 165 G N 0.084 108.908 108.800 0.041 0.000 2.101 165 G HA2 0.273 4.233 3.960 -0.000 0.000 0.262 165 G HA3 0.273 4.233 3.960 -0.000 0.000 0.262 165 G C 0.116 175.030 174.900 0.023 0.000 1.041 165 G CA 0.255 45.372 45.100 0.029 0.000 1.002 165 G HN 0.661 nan 8.290 nan 0.000 0.403 166 G N 0.811 109.619 108.800 0.014 0.000 2.391 166 G HA2 0.503 4.462 3.960 -0.000 0.000 0.305 166 G HA3 0.503 4.462 3.960 -0.000 0.000 0.305 166 G C 0.282 175.190 174.900 0.014 0.000 1.072 166 G CA 0.234 45.340 45.100 0.010 0.000 1.016 166 G HN 1.849 nan 8.290 nan 0.000 0.418 167 C N 1.222 120.535 119.300 0.022 0.000 2.368 167 C HA 0.266 4.725 4.460 -0.000 0.000 0.398 167 C C 0.988 176.006 174.990 0.045 0.000 0.717 167 C CA -0.751 58.285 59.018 0.030 0.000 0.991 167 C CB -0.240 27.529 27.740 0.048 0.000 1.277 167 C HN 0.981 nan 8.230 nan 0.000 0.642 168 G N 2.358 111.178 108.800 0.033 0.000 3.135 168 G HA2 0.062 4.021 3.960 -0.000 0.000 0.208 168 G HA3 0.062 4.021 3.960 -0.000 0.000 0.208 168 G C 0.419 175.355 174.900 0.060 0.000 1.212 168 G CA 0.079 45.204 45.100 0.041 0.000 0.928 168 G HN 0.856 nan 8.290 nan 0.000 0.500 169 N N 0.982 119.730 118.700 0.079 0.000 2.395 169 N HA 0.034 4.773 4.740 -0.000 0.000 0.246 169 N C 0.461 176.065 175.510 0.157 0.000 1.246 169 N CA 0.543 53.662 53.050 0.116 0.000 0.879 169 N CB 0.615 39.203 38.487 0.168 0.000 1.098 169 N HN -0.040 nan 8.380 nan 0.000 0.444 170 T N 1.894 116.563 114.554 0.192 0.000 2.899 170 T HA 0.119 4.469 4.350 -0.000 0.000 0.295 170 T C 0.618 175.520 174.700 0.337 0.000 1.033 170 T CA -0.322 61.920 62.100 0.237 0.000 1.084 170 T CB 0.720 69.754 68.868 0.277 0.000 0.979 170 T HN 0.284 nan 8.240 nan 0.000 0.532 171 Q N 2.489 122.410 119.800 0.202 0.000 2.222 171 Q HA 0.391 4.731 4.340 -0.000 0.000 0.252 171 Q C -2.253 173.674 176.000 -0.123 0.000 0.926 171 Q CA -2.035 53.843 55.803 0.126 0.000 0.899 171 Q CB 1.239 30.005 28.738 0.048 0.000 1.250 171 Q HN 0.410 nan 8.270 nan 0.000 0.441 172 P HA 0.139 nan 4.420 nan 0.000 0.282 172 P C -0.986 176.027 177.300 -0.477 0.000 1.259 172 P CA -0.495 62.017 63.100 -0.981 0.000 0.826 172 P CB 1.168 31.925 31.700 -1.573 0.000 1.064 173 T N 2.878 117.171 114.554 -0.434 0.000 2.733 173 T HA 0.424 4.774 4.350 -0.000 0.000 0.294 173 T C 0.482 175.059 174.700 -0.206 0.000 0.956 173 T CA -0.197 61.767 62.100 -0.228 0.000 0.987 173 T CB -0.271 68.499 68.868 -0.164 0.000 0.920 173 T HN 0.199 nan 8.240 nan 0.000 0.470 174 I N 4.679 125.180 120.570 -0.115 0.000 2.353 174 I HA 0.498 4.668 4.170 -0.000 0.000 0.293 174 I C 0.583 176.690 176.117 -0.017 0.000 0.992 174 I CA -0.869 60.391 61.300 -0.066 0.000 1.268 174 I CB 0.939 38.936 38.000 -0.005 0.000 1.387 174 I HN 0.515 nan 8.210 nan 0.000 0.478 175 R N 5.106 125.593 120.500 -0.022 0.000 2.575 175 R HA 0.481 4.821 4.340 -0.000 0.000 0.293 175 R C -1.079 175.221 176.300 -0.001 0.000 0.983 175 R CA -1.031 55.066 56.100 -0.004 0.000 0.887 175 R CB 1.992 32.283 30.300 -0.015 0.000 1.184 175 R HN 0.509 nan 8.270 nan 0.000 0.445 176 K N 2.649 123.056 120.400 0.011 0.000 2.297 176 K HA 0.086 4.405 4.320 -0.000 0.000 0.286 176 K C -1.074 175.523 176.600 -0.005 0.000 1.053 176 K CA -0.216 56.073 56.287 0.004 0.000 0.940 176 K CB 0.826 33.337 32.500 0.018 0.000 1.019 176 K HN 0.623 nan 8.250 nan 0.000 0.475 177 D N 3.994 124.382 120.400 -0.020 0.000 2.420 177 D HA 0.230 4.870 4.640 -0.000 0.000 0.255 177 D C 0.589 176.875 176.300 -0.023 0.000 1.185 177 D CA 0.455 54.444 54.000 -0.019 0.000 0.904 177 D CB 1.348 42.134 40.800 -0.023 0.000 1.102 177 D HN 0.926 nan 8.370 nan 0.000 0.534 178 G N 2.212 111.008 108.800 -0.008 0.000 2.574 178 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.301 178 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.301 178 G C 0.703 175.603 174.900 0.000 0.000 1.166 178 G CA 0.188 45.289 45.100 0.002 0.000 0.971 178 G HN 0.493 nan 8.290 nan 0.000 0.542 179 L N 1.029 122.245 121.223 -0.012 0.000 2.667 179 L HA 0.354 4.694 4.340 -0.000 0.000 0.232 179 L C 1.093 177.865 176.870 -0.164 0.000 1.138 179 L CA 0.240 55.059 54.840 -0.035 0.000 0.921 179 L CB -0.022 42.055 42.059 0.031 0.000 1.180 179 L HN 0.271 nan 8.230 nan 0.000 0.487 180 K N 0.416 120.723 120.400 -0.154 0.000 2.352 180 K HA 0.686 5.006 4.320 -0.000 0.000 0.240 180 K C -0.982 175.516 176.600 -0.170 0.000 1.017 180 K CA -0.808 55.345 56.287 -0.223 0.000 0.851 180 K CB 2.598 35.014 32.500 -0.140 0.000 1.261 180 K HN -0.097 nan 8.250 nan 0.000 0.451 181 L N 1.871 122.994 121.223 -0.166 0.000 2.325 181 L HA 0.465 4.804 4.340 -0.000 0.000 0.281 181 L C -0.985 175.865 176.870 -0.032 0.000 1.004 181 L CA -1.101 53.696 54.840 -0.072 0.000 0.823 181 L CB 1.750 43.791 42.059 -0.030 0.000 1.236 181 L HN 0.255 nan 8.230 nan 0.000 0.415 182 V N 1.612 121.510 119.914 -0.026 0.000 2.513 182 V HA 0.838 4.958 4.120 -0.000 0.000 0.299 182 V C 0.390 176.445 176.094 -0.065 0.000 1.035 182 V CA -0.499 61.788 62.300 -0.022 0.000 0.889 182 V CB 1.664 33.476 31.823 -0.019 0.000 0.988 182 V HN 0.853 nan 8.190 nan 0.000 0.440 183 G N 1.988 110.719 108.800 -0.115 0.000 2.563 183 G HA2 0.722 4.681 3.960 -0.000 0.000 0.302 183 G HA3 0.722 4.681 3.960 -0.000 0.000 0.302 183 G C -0.762 173.878 174.900 -0.433 0.000 1.301 183 G CA -0.520 44.380 45.100 -0.333 0.000 0.965 183 G HN 0.888 nan 8.290 nan 0.000 0.480 184 S N -0.004 115.396 115.700 -0.499 0.000 2.532 184 S HA 0.774 5.244 4.470 -0.000 0.000 0.301 184 S C -0.859 173.472 174.600 -0.449 0.000 1.083 184 S CA -0.873 57.150 58.200 -0.295 0.000 1.025 184 S CB 2.016 65.147 63.200 -0.116 0.000 1.056 184 S HN 0.628 nan 8.310 nan 0.000 0.494 185 W N 0.807 122.118 121.300 0.018 0.000 2.869 185 W HA 0.733 5.393 4.660 -0.000 0.000 0.345 185 W C -0.004 176.524 176.519 0.016 0.000 1.191 185 W CA -0.796 56.561 57.345 0.021 0.000 1.104 185 W CB 1.760 31.236 29.460 0.027 0.000 1.471 185 W HN 0.848 nan 8.180 nan 0.000 0.612 186 K N 0.885 121.455 120.400 0.283 0.000 2.931 186 K HA -0.003 4.317 4.320 -0.000 0.000 0.321 186 K C -1.358 175.316 176.600 0.123 0.000 1.191 186 K CA -0.556 55.823 56.287 0.152 0.000 0.954 186 K CB 0.778 33.332 32.500 0.089 0.000 1.350 186 K HN 0.375 nan 8.250 nan 0.000 0.396 187 K N 3.501 123.953 120.400 0.087 0.000 2.222 187 K HA 0.137 4.457 4.320 -0.000 0.000 0.243 187 K C -1.078 175.549 176.600 0.046 0.000 1.160 187 K CA -0.084 56.242 56.287 0.065 0.000 1.090 187 K CB -0.001 32.527 32.500 0.048 0.000 1.694 187 K HN 0.601 nan 8.250 nan 0.000 0.361 188 D N 0.742 121.168 120.400 0.044 0.000 10.639 188 D HA -0.152 4.488 4.640 -0.000 0.000 0.349 188 D C -0.507 175.807 176.300 0.023 0.000 3.131 188 D CA 0.353 54.370 54.000 0.028 0.000 2.623 188 D CB 0.205 41.017 40.800 0.021 0.000 1.239 188 D HN 0.446 nan 8.370 nan 0.000 0.947 189 R N 0.776 121.283 120.500 0.012 0.000 2.369 189 R HA 0.533 4.872 4.340 -0.000 0.000 0.310 189 R C 0.422 176.726 176.300 0.007 0.000 1.141 189 R CA 0.483 56.588 56.100 0.008 0.000 1.116 189 R CB 0.700 30.999 30.300 -0.001 0.000 1.135 189 R HN 0.617 nan 8.270 nan 0.000 0.529 190 A N 1.648 124.474 122.820 0.010 0.000 2.996 190 A HA -0.153 4.166 4.320 -0.000 0.000 0.257 190 A C 0.108 177.697 177.584 0.008 0.000 1.394 190 A CA 0.818 52.860 52.037 0.008 0.000 0.820 190 A CB -1.860 17.142 19.000 0.004 0.000 1.054 190 A HN 0.538 nan 8.150 nan 0.000 0.619 191 T N 0.567 115.127 114.554 0.011 0.000 2.837 191 T HA 0.557 4.907 4.350 -0.000 0.000 0.285 191 T C 1.060 175.767 174.700 0.011 0.000 0.984 191 T CA 0.305 62.410 62.100 0.010 0.000 1.049 191 T CB 1.549 70.424 68.868 0.011 0.000 0.947 191 T HN 1.733 nan 8.240 nan 0.000 0.472 192 G N 1.946 110.751 108.800 0.008 0.000 2.168 192 G HA2 0.006 3.966 3.960 -0.000 0.000 0.240 192 G HA3 0.006 3.966 3.960 -0.000 0.000 0.240 192 G C 0.367 175.273 174.900 0.009 0.000 1.080 192 G CA -0.164 44.941 45.100 0.008 0.000 0.877 192 G HN 0.935 nan 8.290 nan 0.000 0.446 193 D N 0.228 120.633 120.400 0.009 0.000 2.983 193 D HA -0.228 4.412 4.640 -0.000 0.000 0.225 193 D C 1.058 177.367 176.300 0.014 0.000 1.174 193 D CA 1.597 55.603 54.000 0.010 0.000 0.831 193 D CB -1.231 39.573 40.800 0.007 0.000 1.104 193 D HN 1.087 nan 8.370 nan 0.000 0.421 194 A N -0.201 122.629 122.820 0.017 0.000 2.538 194 A HA 0.141 4.461 4.320 -0.000 0.000 0.276 194 A C 0.517 178.119 177.584 0.029 0.000 0.908 194 A CA -0.418 51.634 52.037 0.025 0.000 1.042 194 A CB 0.867 19.883 19.000 0.027 0.000 1.218 194 A HN 0.046 nan 8.150 nan 0.000 0.517 195 D N 0.669 121.084 120.400 0.024 0.000 2.325 195 D HA 0.217 4.857 4.640 -0.000 0.000 0.262 195 D C 0.215 176.534 176.300 0.031 0.000 1.263 195 D CA 0.407 54.421 54.000 0.024 0.000 1.020 195 D CB 0.216 41.026 40.800 0.017 0.000 1.117 195 D HN 0.492 nan 8.370 nan 0.000 0.545 196 E N -0.063 120.154 120.200 0.029 0.000 7.498 196 E HA -0.163 4.187 4.350 -0.000 0.000 0.460 196 E C -2.387 174.244 176.600 0.052 0.000 0.334 196 E CA -0.490 55.930 56.400 0.034 0.000 0.626 196 E CB 0.254 29.971 29.700 0.029 0.000 0.958 196 E HN 0.087 nan 8.360 nan 0.000 0.324 197 P HA 0.109 nan 4.420 nan 0.000 0.342 197 P C -0.760 176.612 177.300 0.120 0.000 1.369 197 P CA 0.213 63.365 63.100 0.087 0.000 0.800 197 P CB 0.350 32.085 31.700 0.058 0.000 1.884 198 E N -1.014 119.286 120.200 0.167 0.000 2.677 198 E HA 0.319 4.669 4.350 -0.000 0.000 0.330 198 E C -1.776 174.984 176.600 0.266 0.000 0.933 198 E CA -0.318 56.200 56.400 0.198 0.000 0.797 198 E CB 0.417 30.251 29.700 0.223 0.000 1.326 198 E HN 0.199 nan 8.360 nan 0.000 0.404 199 L N 5.569 126.895 121.223 0.172 0.000 2.298 199 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 199 L C 0.057 177.023 176.870 0.160 0.000 1.013 199 L CA -0.669 54.267 54.840 0.160 0.000 0.824 199 L CB 1.152 43.255 42.059 0.074 0.000 1.221 199 L HN 0.546 nan 8.230 nan 0.000 0.418 200 R N 2.234 122.879 120.500 0.242 0.000 2.867 200 R HA 0.771 5.111 4.340 -0.000 0.000 0.268 200 R C -1.611 174.788 176.300 0.165 0.000 1.014 200 R CA -0.862 55.345 56.100 0.178 0.000 0.946 200 R CB 1.924 32.332 30.300 0.180 0.000 1.208 200 R HN 0.206 nan 8.270 nan 0.000 0.477 201 V N 2.863 122.836 119.914 0.098 0.000 2.383 201 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 201 V C 0.360 176.508 176.094 0.091 0.000 1.036 201 V CA -0.795 61.546 62.300 0.068 0.000 0.889 201 V CB 1.213 33.048 31.823 0.021 0.000 0.985 201 V HN 0.535 nan 8.190 nan 0.000 0.459 202 L N 5.800 127.079 121.223 0.094 0.000 2.515 202 L HA 0.188 4.528 4.340 -0.000 0.000 0.281 202 L C 1.210 178.125 176.870 0.074 0.000 1.131 202 L CA 0.135 55.043 54.840 0.113 0.000 0.905 202 L CB 0.046 42.178 42.059 0.121 0.000 1.246 202 L HN 0.890 nan 8.230 nan 0.000 0.463 203 S N 1.231 116.981 115.700 0.084 0.000 2.634 203 S HA 0.102 4.572 4.470 -0.000 0.000 0.254 203 S C 1.156 175.847 174.600 0.151 0.000 1.299 203 S CA -0.150 58.101 58.200 0.084 0.000 0.974 203 S CB 0.693 63.941 63.200 0.080 0.000 1.001 203 S HN 0.560 nan 8.310 nan 0.000 0.584 204 T N 0.509 115.178 114.554 0.191 0.000 3.014 204 T HA 0.077 4.427 4.350 -0.000 0.000 0.263 204 T C 1.571 176.309 174.700 0.064 0.000 1.078 204 T CA 1.007 63.262 62.100 0.258 0.000 1.135 204 T CB -0.325 68.714 68.868 0.285 0.000 0.895 204 T HN 0.662 nan 8.240 nan 0.000 0.480 205 E N 1.190 121.425 120.200 0.057 0.000 2.152 205 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 205 E C 2.193 178.802 176.600 0.015 0.000 0.983 205 E CA 0.725 57.139 56.400 0.023 0.000 0.818 205 E CB 0.029 29.752 29.700 0.039 0.000 0.758 205 E HN 0.554 nan 8.360 nan 0.000 0.467 206 E N 0.610 120.835 120.200 0.042 0.000 2.017 206 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 206 E C 2.108 178.715 176.600 0.012 0.000 0.997 206 E CA 0.775 57.204 56.400 0.049 0.000 0.804 206 E CB 0.016 29.763 29.700 0.079 0.000 0.757 206 E HN 0.169 nan 8.360 nan 0.000 0.448 207 I N 1.290 121.842 120.570 -0.029 0.000 2.248 207 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 207 I C 2.424 178.313 176.117 -0.380 0.000 1.107 207 I CA 1.333 62.497 61.300 -0.227 0.000 1.373 207 I CB -1.072 36.731 38.000 -0.328 0.000 1.055 207 I HN 0.221 nan 8.210 nan 0.000 0.418 208 L N 0.225 121.294 121.223 -0.257 0.000 2.017 208 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 208 L C 2.414 179.195 176.870 -0.148 0.000 1.073 208 L CA 1.339 56.054 54.840 -0.208 0.000 0.745 208 L CB -0.587 41.391 42.059 -0.134 0.000 0.894 208 L HN 0.318 nan 8.230 nan 0.000 0.432 209 N N 0.270 118.885 118.700 -0.141 0.000 2.120 209 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 209 N C 1.857 177.198 175.510 -0.281 0.000 1.024 209 N CA 1.456 54.319 53.050 -0.312 0.000 0.852 209 N CB -0.130 38.317 38.487 -0.067 0.000 1.003 209 N HN 0.354 nan 8.380 nan 0.000 0.424 210 I N -0.068 120.527 120.570 0.042 0.000 2.252 210 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 210 I C 1.523 177.799 176.117 0.265 0.000 1.102 210 I CA 0.939 62.360 61.300 0.202 0.000 1.385 210 I CB -0.287 37.890 38.000 0.296 0.000 1.064 210 I HN -0.051 nan 8.210 nan 0.000 0.414 211 F N 1.246 121.143 119.950 -0.088 0.000 2.456 211 F HA -0.021 4.505 4.527 -0.000 0.000 0.298 211 F C 2.289 178.032 175.800 -0.095 0.000 1.104 211 F CA 0.906 58.850 58.000 -0.093 0.000 1.435 211 F CB -0.590 38.313 39.000 -0.161 0.000 1.078 211 F HN -0.057 nan 8.300 nan 0.000 0.546 212 K N -1.154 119.253 120.400 0.011 0.000 2.262 212 K HA -0.024 4.296 4.320 -0.000 0.000 0.200 212 K C 1.577 178.178 176.600 0.003 0.000 1.049 212 K CA 0.538 56.785 56.287 -0.066 0.000 0.979 212 K CB -0.037 32.358 32.500 -0.175 0.000 0.773 212 K HN 0.216 nan 8.250 nan 0.000 0.474 213 H N 0.573 119.688 119.070 0.075 0.000 2.512 213 H HA 0.134 4.690 4.556 -0.000 0.000 0.279 213 H C 0.748 176.061 175.328 -0.025 0.000 0.999 213 H CA 0.155 56.223 56.048 0.033 0.000 1.283 213 H CB -0.078 29.709 29.762 0.041 0.000 1.421 213 H HN 0.040 nan 8.280 nan 0.000 0.554 214 I N 2.460 123.060 120.570 0.049 0.000 2.880 214 I HA -0.112 4.057 4.170 -0.000 0.000 0.296 214 I C 0.872 176.728 176.117 -0.435 0.000 1.220 214 I CA 0.270 61.445 61.300 -0.208 0.000 1.435 214 I CB 0.404 38.222 38.000 -0.303 0.000 1.339 214 I HN 0.145 nan 8.210 nan 0.000 0.583 215 S N 4.553 119.946 115.700 -0.511 0.000 2.617 215 S HA 0.309 4.779 4.470 -0.000 0.000 0.283 215 S C 1.043 175.202 174.600 -0.735 0.000 1.189 215 S CA -1.021 56.906 58.200 -0.454 0.000 1.036 215 S CB 1.926 64.996 63.200 -0.217 0.000 1.014 215 S HN 0.402 nan 8.310 nan 0.000 0.522 216 V N 2.712 122.411 119.914 -0.359 0.000 2.242 216 V HA -0.322 3.798 4.120 -0.000 0.000 0.257 216 V C 2.628 178.641 176.094 -0.136 0.000 1.073 216 V CA 2.556 64.801 62.300 -0.092 0.000 1.058 216 V CB -1.106 30.759 31.823 0.069 0.000 0.664 216 V HN 0.974 nan 8.190 nan 0.000 0.451 217 K N -0.476 119.847 120.400 -0.128 0.000 2.286 217 K HA -0.210 4.109 4.320 -0.000 0.000 0.203 217 K C 1.706 178.242 176.600 -0.108 0.000 1.045 217 K CA 1.535 57.774 56.287 -0.080 0.000 0.935 217 K CB -0.270 32.188 32.500 -0.069 0.000 0.737 217 K HN 0.625 nan 8.250 nan 0.000 0.460 218 D N -0.194 120.050 120.400 -0.259 0.000 2.216 218 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 218 D C 1.761 177.986 176.300 -0.124 0.000 0.960 218 D CA 0.864 54.719 54.000 -0.241 0.000 0.861 218 D CB -0.131 40.442 40.800 -0.379 0.000 0.985 218 D HN 0.192 nan 8.370 nan 0.000 0.493 219 F N 1.605 121.546 119.950 -0.016 0.000 2.146 219 F HA -0.152 4.374 4.527 -0.000 0.000 0.298 219 F C 2.699 178.594 175.800 0.158 0.000 1.096 219 F CA 0.704 58.730 58.000 0.043 0.000 1.275 219 F CB -0.673 38.312 39.000 -0.025 0.000 1.008 219 F HN -0.133 nan 8.300 nan 0.000 0.480 220 T N 0.044 114.753 114.554 0.258 0.000 2.570 220 T HA -0.289 4.061 4.350 -0.000 0.000 0.266 220 T C 2.236 177.030 174.700 0.156 0.000 1.071 220 T CA 2.254 64.461 62.100 0.177 0.000 1.172 220 T CB -0.728 68.201 68.868 0.102 0.000 0.864 220 T HN 0.432 nan 8.240 nan 0.000 0.421 221 S N 1.307 117.079 115.700 0.121 0.000 2.420 221 S HA -0.046 4.423 4.470 -0.000 0.000 0.237 221 S C 1.043 175.755 174.600 0.186 0.000 1.023 221 S CA 0.718 58.989 58.200 0.118 0.000 0.991 221 S CB -0.798 62.451 63.200 0.082 0.000 0.792 221 S HN 0.406 nan 8.310 nan 0.000 0.488 222 L N 0.018 121.400 121.223 0.265 0.000 2.569 222 L HA 0.575 4.915 4.340 -0.000 0.000 0.247 222 L C 1.324 178.320 176.870 0.211 0.000 1.135 222 L CA -0.510 54.550 54.840 0.366 0.000 0.812 222 L CB 0.132 42.528 42.059 0.561 0.000 1.431 222 L HN 0.238 nan 8.230 nan 0.000 0.499 223 G N 0.106 108.855 108.800 -0.085 0.000 3.717 223 G HA2 0.417 4.377 3.960 -0.000 0.000 0.258 223 G HA3 0.417 4.377 3.960 -0.000 0.000 0.258 223 G C -0.692 173.816 174.900 -0.653 0.000 1.088 223 G CA -0.015 44.874 45.100 -0.352 0.000 1.737 223 G HN 0.153 nan 8.290 nan 0.000 0.648 224 F N -0.939 119.008 119.950 -0.005 0.000 2.593 224 F HA 0.434 4.961 4.527 -0.000 0.000 0.320 224 F C 0.667 176.479 175.800 0.019 0.000 1.060 224 F CA -1.434 56.541 58.000 -0.042 0.000 0.940 224 F CB 2.246 41.147 39.000 -0.166 0.000 1.268 224 F HN 0.062 nan 8.300 nan 0.000 0.475 225 N N 0.378 119.192 118.700 0.191 0.000 2.171 225 N HA 0.016 4.756 4.740 -0.000 0.000 0.212 225 N C 0.844 176.408 175.510 0.091 0.000 1.184 225 N CA 0.805 53.956 53.050 0.169 0.000 0.888 225 N CB 0.103 38.746 38.487 0.259 0.000 1.038 225 N HN 0.761 nan 8.380 nan 0.000 0.517 226 E N -2.461 117.730 120.200 -0.016 0.000 3.904 226 E HA -0.309 4.040 4.350 -0.000 0.000 0.316 226 E C -0.231 176.311 176.600 -0.095 0.000 0.643 226 E CA 1.921 58.255 56.400 -0.110 0.000 1.129 226 E CB -1.621 28.105 29.700 0.044 0.000 1.635 226 E HN 0.114 nan 8.360 nan 0.000 0.424 227 V N -0.869 118.996 119.914 -0.083 0.000 2.806 227 V HA 0.199 4.318 4.120 -0.000 0.000 0.239 227 V C 1.677 177.608 176.094 -0.271 0.000 1.113 227 V CA 1.426 63.567 62.300 -0.265 0.000 1.137 227 V CB -0.311 31.147 31.823 -0.609 0.000 0.865 227 V HN 0.310 nan 8.190 nan 0.000 0.482 228 F N 1.041 121.100 119.950 0.181 0.000 2.717 228 F HA 0.292 4.819 4.527 -0.000 0.000 0.295 228 F C 0.930 176.901 175.800 0.286 0.000 1.117 228 F CA 0.434 58.535 58.000 0.168 0.000 1.361 228 F CB 0.378 39.414 39.000 0.060 0.000 1.112 228 F HN 0.174 nan 8.300 nan 0.000 0.594 229 S N 0.576 116.527 115.700 0.419 0.000 2.737 229 S HA 0.514 4.984 4.470 -0.000 0.000 0.269 229 S C -0.833 173.792 174.600 0.042 0.000 1.150 229 S CA -0.852 57.555 58.200 0.346 0.000 1.077 229 S CB 1.234 64.576 63.200 0.236 0.000 1.075 229 S HN 0.052 nan 8.310 nan 0.000 0.476 230 R N 2.885 123.127 120.500 -0.430 0.000 2.393 230 R HA 0.381 4.720 4.340 -0.000 0.000 0.310 230 R C -2.209 173.588 176.300 -0.838 0.000 0.968 230 R CA -2.290 53.113 56.100 -1.162 0.000 0.867 230 R CB 1.452 30.485 30.300 -2.112 0.000 1.124 230 R HN 0.337 nan 8.270 nan 0.000 0.450 231 P HA -0.272 nan 4.420 nan 0.000 0.218 231 P C 0.808 178.004 177.300 -0.173 0.000 1.152 231 P CA 1.493 64.118 63.100 -0.792 0.000 0.857 231 P CB 0.176 31.173 31.700 -1.171 0.000 0.787 232 E N -1.710 118.299 120.200 -0.318 0.000 2.331 232 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 232 E C 0.865 177.425 176.600 -0.066 0.000 1.008 232 E CA 0.851 57.149 56.400 -0.170 0.000 0.843 232 E CB -0.937 28.589 29.700 -0.290 0.000 0.761 232 E HN 0.345 nan 8.360 nan 0.000 0.507 233 W N 0.406 121.637 121.300 -0.115 0.000 3.345 233 W HA 0.330 4.990 4.660 -0.000 0.000 0.282 233 W C 1.297 177.708 176.519 -0.179 0.000 1.302 233 W CA -0.269 57.008 57.345 -0.114 0.000 1.724 233 W CB -0.357 29.053 29.460 -0.083 0.000 1.104 233 W HN 0.134 nan 8.180 nan 0.000 0.694 234 M N -0.272 119.300 119.600 -0.046 0.000 2.561 234 M HA 0.136 4.616 4.480 -0.000 0.000 0.238 234 M C 0.072 176.268 176.300 -0.173 0.000 1.131 234 M CA 0.860 56.011 55.300 -0.249 0.000 1.046 234 M CB 0.212 32.715 32.600 -0.163 0.000 1.532 234 M HN -0.317 nan 8.290 nan 0.000 0.497 235 I N 0.929 121.398 120.570 -0.168 0.000 2.433 235 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 235 I C -0.606 175.465 176.117 -0.076 0.000 1.001 235 I CA -0.715 60.427 61.300 -0.263 0.000 1.119 235 I CB 1.910 39.635 38.000 -0.458 0.000 1.289 235 I HN -0.028 nan 8.210 nan 0.000 0.438 236 L N 5.625 126.832 121.223 -0.026 0.000 2.331 236 L HA 0.362 4.702 4.340 -0.000 0.000 0.278 236 L C 0.706 177.586 176.870 0.016 0.000 1.106 236 L CA 0.046 54.895 54.840 0.015 0.000 0.824 236 L CB 0.984 43.059 42.059 0.028 0.000 1.142 236 L HN 0.708 nan 8.230 nan 0.000 0.443 237 T N 0.161 114.729 114.554 0.022 0.000 3.058 237 T HA 0.034 4.384 4.350 -0.000 0.000 0.247 237 T C 0.004 174.713 174.700 0.016 0.000 0.987 237 T CA 0.166 62.280 62.100 0.024 0.000 1.062 237 T CB 0.445 69.337 68.868 0.040 0.000 1.048 237 T HN 0.641 nan 8.240 nan 0.000 0.468 238 C N 3.006 122.314 119.300 0.013 0.000 2.322 238 C HA 0.770 5.229 4.460 -0.000 0.000 0.324 238 C C -0.654 174.328 174.990 -0.013 0.000 1.249 238 C CA -1.372 57.650 59.018 0.007 0.000 1.453 238 C CB -0.792 26.981 27.740 0.055 0.000 2.145 238 C HN 0.464 nan 8.230 nan 0.000 0.466 239 L N 9.873 131.077 121.223 -0.032 0.000 2.315 239 L HA 0.485 4.824 4.340 -0.000 0.000 0.283 239 L C -1.883 174.983 176.870 -0.007 0.000 1.089 239 L CA -1.249 53.583 54.840 -0.012 0.000 0.833 239 L CB 0.876 42.924 42.059 -0.018 0.000 1.170 239 L HN 0.540 nan 8.230 nan 0.000 0.442 240 P HA 0.067 nan 4.420 nan 0.000 0.276 240 P C -0.954 176.431 177.300 0.142 0.000 1.243 240 P CA -0.168 62.941 63.100 0.015 0.000 0.768 240 P CB 1.083 32.690 31.700 -0.155 0.000 0.856 241 V N 6.754 126.744 119.914 0.127 0.000 2.385 241 V HA 0.213 4.332 4.120 -0.000 0.000 0.269 241 V C -1.646 174.385 176.094 -0.106 0.000 1.043 241 V CA -1.997 60.325 62.300 0.038 0.000 0.906 241 V CB 0.864 32.677 31.823 -0.017 0.000 0.995 241 V HN 0.541 nan 8.190 nan 0.000 0.467 242 P HA 0.209 nan 4.420 nan 0.000 0.271 242 P C -2.566 174.484 177.300 -0.417 0.000 1.220 242 P CA -1.394 61.429 63.100 -0.462 0.000 0.768 242 P CB 0.565 32.188 31.700 -0.128 0.000 0.848 243 P HA 0.089 nan 4.420 nan 0.000 0.272 243 P C -1.633 175.544 177.300 -0.205 0.000 1.230 243 P CA -1.528 61.379 63.100 -0.322 0.000 0.788 243 P CB -0.303 31.193 31.700 -0.339 0.000 0.949 244 P HA -0.165 nan 4.420 nan 0.000 0.219 244 P C -0.899 176.342 177.300 -0.099 0.000 1.153 244 P CA 2.720 65.757 63.100 -0.106 0.000 0.865 244 P CB -2.071 29.580 31.700 -0.082 0.000 0.788 245 P HA -0.049 nan 4.420 nan 0.000 0.226 245 P C 1.751 179.007 177.300 -0.074 0.000 1.153 245 P CA 0.815 63.866 63.100 -0.083 0.000 0.777 245 P CB -0.375 31.276 31.700 -0.083 0.000 0.794 246 V N 0.767 120.628 119.914 -0.089 0.000 2.407 246 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 246 V C 1.395 177.459 176.094 -0.049 0.000 1.041 246 V CA 1.536 63.797 62.300 -0.065 0.000 1.040 246 V CB -0.962 30.808 31.823 -0.088 0.000 0.671 246 V HN 0.250 nan 8.190 nan 0.000 0.455 247 R N 1.396 121.857 120.500 -0.064 0.000 2.494 247 R HA 0.399 4.739 4.340 -0.000 0.000 0.284 247 R C -2.898 173.354 176.300 -0.081 0.000 1.525 247 R CA -1.649 54.413 56.100 -0.062 0.000 1.460 247 R CB 0.202 30.466 30.300 -0.060 0.000 1.134 247 R HN 0.219 nan 8.270 nan 0.000 0.592 248 P HA -0.006 nan 4.420 nan 0.000 0.272 248 P C -0.579 176.667 177.300 -0.089 0.000 1.223 248 P CA -0.225 62.828 63.100 -0.079 0.000 0.784 248 P CB 1.266 32.924 31.700 -0.071 0.000 0.923 249 S N 2.216 117.862 115.700 -0.089 0.000 2.474 249 S HA 0.378 4.848 4.470 -0.000 0.000 0.320 249 S C 0.544 175.094 174.600 -0.083 0.000 1.067 249 S CA -0.939 57.208 58.200 -0.089 0.000 1.127 249 S CB -0.580 62.570 63.200 -0.082 0.000 0.971 249 S HN 0.289 nan 8.310 nan 0.000 0.472 250 I N 3.844 124.366 120.570 -0.080 0.000 2.906 250 I HA 0.006 4.176 4.170 -0.000 0.000 0.301 250 I C 0.554 176.602 176.117 -0.116 0.000 1.221 250 I CA 0.559 61.782 61.300 -0.128 0.000 1.435 250 I CB -0.168 37.802 38.000 -0.050 0.000 1.345 250 I HN 0.818 nan 8.210 nan 0.000 0.558 251 S N 6.309 121.850 115.700 -0.265 0.000 2.619 251 S HA 0.664 5.133 4.470 -0.000 0.000 0.280 251 S C -0.894 173.541 174.600 -0.274 0.000 1.150 251 S CA -0.902 57.220 58.200 -0.130 0.000 0.978 251 S CB 1.159 64.325 63.200 -0.057 0.000 1.041 251 S HN 0.299 nan 8.310 nan 0.000 0.485 252 F N 2.771 122.717 119.950 -0.007 0.000 2.411 252 F HA 0.557 5.084 4.527 -0.000 0.000 0.352 252 F C 1.210 177.007 175.800 -0.005 0.000 1.123 252 F CA -0.656 57.341 58.000 -0.005 0.000 1.044 252 F CB 0.470 39.469 39.000 -0.002 0.000 1.135 252 F HN 0.687 nan 8.300 nan 0.000 0.461 253 N N 1.331 120.107 118.700 0.127 0.000 1.177 253 N HA -0.288 4.452 4.740 -0.000 0.000 0.103 253 N C -0.283 175.266 175.510 0.066 0.000 0.767 253 N CA 1.003 54.099 53.050 0.077 0.000 0.829 253 N CB -0.311 38.223 38.487 0.078 0.000 0.988 253 N HN 0.675 nan 8.380 nan 0.000 0.668 254 E N 0.941 121.173 120.200 0.052 0.000 2.202 254 E HA 0.396 4.745 4.350 -0.000 0.000 0.272 254 E C -0.238 176.390 176.600 0.047 0.000 0.951 254 E CA -0.006 56.418 56.400 0.040 0.000 0.813 254 E CB 1.187 30.901 29.700 0.023 0.000 1.151 254 E HN 0.711 nan 8.360 nan 0.000 0.398 255 S N 2.131 117.856 115.700 0.042 0.000 3.783 255 S HA -0.232 4.238 4.470 -0.000 0.000 0.497 255 S C -0.568 174.063 174.600 0.052 0.000 0.804 255 S CA 0.548 58.770 58.200 0.038 0.000 1.361 255 S CB -1.582 61.631 63.200 0.022 0.000 0.873 255 S HN 0.621 nan 8.310 nan 0.000 0.671 256 Q N 0.731 120.580 119.800 0.082 0.000 2.487 256 Q HA 0.325 4.665 4.340 -0.000 0.000 0.234 256 Q C 0.059 176.146 176.000 0.144 0.000 0.828 256 Q CA -0.792 55.076 55.803 0.108 0.000 0.907 256 Q CB 1.461 30.297 28.738 0.164 0.000 1.462 256 Q HN 0.718 nan 8.270 nan 0.000 0.442 257 R N 0.301 120.857 120.500 0.095 0.000 3.160 257 R HA 0.298 4.638 4.340 -0.000 0.000 0.289 257 R C 0.504 176.890 176.300 0.143 0.000 1.014 257 R CA 0.962 57.119 56.100 0.096 0.000 1.188 257 R CB 0.064 30.415 30.300 0.084 0.000 1.177 257 R HN 0.854 nan 8.270 nan 0.000 0.523 258 G N 0.583 109.447 108.800 0.108 0.000 2.720 258 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.207 258 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.207 258 G C -0.878 174.017 174.900 -0.008 0.000 1.068 258 G CA -0.790 44.375 45.100 0.108 0.000 1.077 258 G HN 0.427 nan 8.290 nan 0.000 0.597 259 E N 1.047 121.167 120.200 -0.133 0.000 2.175 259 E HA 0.236 4.586 4.350 -0.000 0.000 0.278 259 E C -0.190 176.164 176.600 -0.409 0.000 0.969 259 E CA -0.896 55.336 56.400 -0.280 0.000 0.796 259 E CB 1.768 31.254 29.700 -0.357 0.000 1.104 259 E HN 0.370 nan 8.360 nan 0.000 0.395 260 D N 2.693 122.947 120.400 -0.242 0.000 2.703 260 D HA -0.139 4.501 4.640 -0.000 0.000 0.225 260 D C 0.469 176.656 176.300 -0.187 0.000 1.119 260 D CA 0.477 54.383 54.000 -0.156 0.000 0.845 260 D CB 0.671 41.416 40.800 -0.093 0.000 1.182 260 D HN 0.426 nan 8.370 nan 0.000 0.493 261 D N 3.440 123.857 120.400 0.028 0.000 2.280 261 D HA -0.188 4.452 4.640 -0.000 0.000 0.206 261 D C 1.930 178.318 176.300 0.148 0.000 0.988 261 D CA 0.697 54.824 54.000 0.213 0.000 0.886 261 D CB 0.217 41.132 40.800 0.193 0.000 0.914 261 D HN 0.509 nan 8.370 nan 0.000 0.473 262 L N 0.453 121.715 121.223 0.064 0.000 2.217 262 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 262 L C 2.285 179.171 176.870 0.027 0.000 1.107 262 L CA 0.896 55.809 54.840 0.121 0.000 0.783 262 L CB -0.275 41.860 42.059 0.126 0.000 0.919 262 L HN -0.012 nan 8.230 nan 0.000 0.442 263 T N -0.850 113.636 114.554 -0.113 0.000 3.023 263 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 263 T C 1.586 176.207 174.700 -0.131 0.000 1.093 263 T CA 0.818 62.811 62.100 -0.179 0.000 1.129 263 T CB -0.127 68.576 68.868 -0.275 0.000 0.899 263 T HN 0.172 nan 8.240 nan 0.000 0.491 264 F N 1.530 121.452 119.950 -0.046 0.000 2.128 264 F HA 0.047 4.573 4.527 -0.000 0.000 0.295 264 F C 2.344 178.075 175.800 -0.116 0.000 1.100 264 F CA 0.575 58.538 58.000 -0.061 0.000 1.260 264 F CB -0.049 38.932 39.000 -0.032 0.000 1.009 264 F HN -0.003 nan 8.300 nan 0.000 0.476 265 K N 0.296 120.755 120.400 0.099 0.000 2.439 265 K HA -0.055 4.264 4.320 -0.000 0.000 0.197 265 K C 1.663 178.126 176.600 -0.227 0.000 1.041 265 K CA 0.585 56.841 56.287 -0.051 0.000 0.970 265 K CB -0.023 32.541 32.500 0.107 0.000 0.773 265 K HN 0.357 nan 8.250 nan 0.000 0.479 266 L N -0.271 120.801 121.223 -0.251 0.000 2.307 266 L HA 0.034 4.374 4.340 -0.000 0.000 0.211 266 L C 2.315 179.075 176.870 -0.183 0.000 1.099 266 L CA 0.282 54.914 54.840 -0.346 0.000 0.816 266 L CB -0.156 41.702 42.059 -0.336 0.000 0.952 266 L HN 0.145 nan 8.230 nan 0.000 0.455 267 A N -0.154 122.608 122.820 -0.097 0.000 1.929 267 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 267 A C 1.835 179.381 177.584 -0.063 0.000 1.176 267 A CA 1.507 53.522 52.037 -0.036 0.000 0.628 267 A CB -0.309 18.718 19.000 0.044 0.000 0.816 267 A HN 0.301 nan 8.150 nan 0.000 0.444 268 D N 0.254 120.561 120.400 -0.155 0.000 2.117 268 D HA -0.110 4.529 4.640 -0.000 0.000 0.197 268 D C 1.874 178.125 176.300 -0.082 0.000 0.987 268 D CA 1.187 55.015 54.000 -0.286 0.000 0.829 268 D CB -0.309 39.910 40.800 -0.967 0.000 0.961 268 D HN 0.519 nan 8.370 nan 0.000 0.460 269 I N 0.356 120.862 120.570 -0.105 0.000 2.315 269 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 269 I C 2.306 178.418 176.117 -0.009 0.000 1.117 269 I CA 0.408 61.703 61.300 -0.008 0.000 1.404 269 I CB -0.031 37.900 38.000 -0.115 0.000 1.071 269 I HN -0.015 nan 8.210 nan 0.000 0.419 270 L N 0.870 122.063 121.223 -0.049 0.000 2.109 270 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 270 L C 2.329 179.197 176.870 -0.004 0.000 1.086 270 L CA 1.830 56.648 54.840 -0.038 0.000 0.760 270 L CB -0.498 41.533 42.059 -0.048 0.000 0.910 270 L HN 0.055 nan 8.230 nan 0.000 0.437 271 K N -0.817 119.594 120.400 0.020 0.000 2.044 271 K HA 0.046 4.366 4.320 -0.000 0.000 0.204 271 K C 2.005 178.646 176.600 0.069 0.000 1.049 271 K CA 1.088 57.401 56.287 0.044 0.000 0.945 271 K CB -0.397 32.136 32.500 0.056 0.000 0.724 271 K HN 0.333 nan 8.250 nan 0.000 0.440 272 A N 1.472 124.365 122.820 0.122 0.000 2.186 272 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 272 A C 1.762 179.395 177.584 0.080 0.000 1.159 272 A CA 1.856 53.978 52.037 0.140 0.000 0.680 272 A CB -0.565 18.587 19.000 0.254 0.000 0.787 272 A HN 0.332 nan 8.150 nan 0.000 0.467 273 N N -0.626 118.105 118.700 0.052 0.000 2.436 273 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 273 N C 1.438 176.957 175.510 0.015 0.000 1.026 273 N CA 0.746 53.811 53.050 0.026 0.000 0.880 273 N CB -0.182 38.306 38.487 0.001 0.000 1.061 273 N HN 0.392 nan 8.380 nan 0.000 0.434 274 I N 0.413 120.988 120.570 0.009 0.000 2.142 274 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 274 I C 2.098 178.225 176.117 0.017 0.000 1.078 274 I CA 1.442 62.742 61.300 -0.001 0.000 1.343 274 I CB -0.473 37.518 38.000 -0.015 0.000 1.046 274 I HN 0.279 nan 8.210 nan 0.000 0.405 275 S N 0.770 116.486 115.700 0.026 0.000 2.469 275 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 275 S C 1.875 176.491 174.600 0.026 0.000 0.998 275 S CA 0.704 58.920 58.200 0.028 0.000 0.957 275 S CB -0.433 62.788 63.200 0.034 0.000 0.764 275 S HN 0.345 nan 8.310 nan 0.000 0.514 276 L N 1.475 122.714 121.223 0.026 0.000 2.127 276 L HA 0.258 4.597 4.340 -0.000 0.000 0.203 276 L C 2.444 179.322 176.870 0.012 0.000 1.080 276 L CA 1.655 56.506 54.840 0.018 0.000 0.768 276 L CB -0.740 41.331 42.059 0.021 0.000 0.924 276 L HN 0.258 nan 8.230 nan 0.000 0.444 277 E N -1.222 118.999 120.200 0.035 0.000 2.072 277 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 277 E C 1.881 178.579 176.600 0.162 0.000 0.985 277 E CA 1.601 58.052 56.400 0.086 0.000 0.801 277 E CB -0.054 29.722 29.700 0.127 0.000 0.750 277 E HN 0.499 nan 8.360 nan 0.000 0.452 278 T N 1.827 116.443 114.554 0.104 0.000 2.607 278 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 278 T C 1.956 176.700 174.700 0.073 0.000 1.049 278 T CA 1.195 63.349 62.100 0.090 0.000 1.162 278 T CB -0.392 68.500 68.868 0.041 0.000 0.863 278 T HN 0.102 nan 8.240 nan 0.000 0.424 279 L N 0.741 121.980 121.223 0.027 0.000 1.990 279 L HA -0.188 4.151 4.340 -0.000 0.000 0.213 279 L C 2.718 179.567 176.870 -0.035 0.000 1.072 279 L CA 1.771 56.608 54.840 -0.004 0.000 0.755 279 L CB -0.787 41.264 42.059 -0.012 0.000 0.889 279 L HN 0.399 nan 8.230 nan 0.000 0.432 280 E N -1.216 118.938 120.200 -0.078 0.000 2.204 280 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 280 E C 2.035 178.520 176.600 -0.190 0.000 0.990 280 E CA 0.839 57.144 56.400 -0.158 0.000 0.821 280 E CB -0.058 29.505 29.700 -0.229 0.000 0.750 280 E HN 0.566 nan 8.360 nan 0.000 0.477 281 H N 0.135 119.189 119.070 -0.026 0.000 2.300 281 H HA 0.094 4.649 4.556 -0.000 0.000 0.312 281 H C 1.959 177.271 175.328 -0.028 0.000 1.057 281 H CA 0.758 56.792 56.048 -0.024 0.000 1.380 281 H CB -0.023 29.727 29.762 -0.021 0.000 1.424 281 H HN 0.102 nan 8.280 nan 0.000 0.534 282 N N 0.422 119.191 118.700 0.114 0.000 2.047 282 N HA -0.057 4.683 4.740 -0.000 0.000 0.193 282 N C 1.041 176.555 175.510 0.007 0.000 1.055 282 N CA 1.192 54.269 53.050 0.045 0.000 0.847 282 N CB -0.078 38.427 38.487 0.031 0.000 1.038 282 N HN 0.223 nan 8.380 nan 0.000 0.427 283 G N -0.382 108.411 108.800 -0.011 0.000 2.883 283 G HA2 0.589 4.549 3.960 -0.000 0.000 0.285 283 G HA3 0.589 4.549 3.960 -0.000 0.000 0.285 283 G C -1.151 173.706 174.900 -0.070 0.000 1.526 283 G CA -0.334 44.742 45.100 -0.041 0.000 1.062 283 G HN 0.349 nan 8.290 nan 0.000 0.550 284 A N 4.573 127.324 122.820 -0.116 0.000 2.415 284 A HA 0.643 4.962 4.320 -0.000 0.000 0.309 284 A C -1.084 176.342 177.584 -0.263 0.000 1.356 284 A CA -1.341 50.595 52.037 -0.168 0.000 0.998 284 A CB 0.459 19.345 19.000 -0.190 0.000 1.145 284 A HN 0.467 nan 8.150 nan 0.000 0.545 285 P HA 0.064 nan 4.420 nan 0.000 0.249 285 P C 0.441 177.694 177.300 -0.080 0.000 1.544 285 P CA -0.004 63.015 63.100 -0.135 0.000 0.932 285 P CB -0.177 31.496 31.700 -0.045 0.000 1.524 286 H N 0.682 119.691 119.070 -0.100 0.000 1.452 286 H HA -0.220 4.336 4.556 -0.000 0.000 0.090 286 H C 1.026 176.227 175.328 -0.212 0.000 0.620 286 H CA 1.735 57.651 56.048 -0.220 0.000 1.901 286 H CB -1.887 27.698 29.762 -0.294 0.000 2.257 286 H HN 0.401 nan 8.280 nan 0.000 0.961 287 H N 1.520 120.691 119.070 0.168 0.000 2.572 287 H HA 0.377 4.932 4.556 -0.000 0.000 0.278 287 H C 1.507 176.864 175.328 0.050 0.000 1.050 287 H CA 0.852 56.946 56.048 0.075 0.000 1.168 287 H CB -0.199 29.591 29.762 0.047 0.000 1.316 287 H HN 0.478 nan 8.280 nan 0.000 0.610 288 A N 0.077 122.966 122.820 0.114 0.000 2.308 288 A HA 0.171 4.490 4.320 -0.000 0.000 0.217 288 A C 2.103 179.711 177.584 0.040 0.000 1.216 288 A CA -0.143 51.935 52.037 0.068 0.000 0.864 288 A CB 0.024 19.051 19.000 0.045 0.000 0.902 288 A HN 0.234 nan 8.150 nan 0.000 0.499 289 I N 0.130 120.722 120.570 0.037 0.000 2.628 289 I HA -0.130 4.039 4.170 -0.000 0.000 0.255 289 I C 2.139 178.275 176.117 0.032 0.000 1.119 289 I CA 1.012 62.324 61.300 0.020 0.000 1.448 289 I CB -0.219 37.781 38.000 0.001 0.000 1.133 289 I HN 0.537 nan 8.210 nan 0.000 0.438 290 E N 1.425 121.658 120.200 0.054 0.000 2.483 290 E HA -0.255 4.095 4.350 -0.000 0.000 0.205 290 E C 1.224 177.842 176.600 0.030 0.000 1.075 290 E CA 1.080 57.511 56.400 0.053 0.000 0.889 290 E CB -0.376 29.373 29.700 0.082 0.000 0.816 290 E HN 0.589 nan 8.360 nan 0.000 0.567 291 E N 0.043 120.256 120.200 0.023 0.000 2.400 291 E HA 0.099 4.448 4.350 -0.000 0.000 0.195 291 E C 1.607 178.206 176.600 -0.001 0.000 1.012 291 E CA 0.494 56.897 56.400 0.004 0.000 0.875 291 E CB 0.346 30.048 29.700 0.002 0.000 0.859 291 E HN 0.418 nan 8.360 nan 0.000 0.498 292 A N 0.637 123.464 122.820 0.011 0.000 2.267 292 A HA 0.047 4.367 4.320 -0.000 0.000 0.213 292 A C 1.598 179.196 177.584 0.023 0.000 1.192 292 A CA 0.116 52.162 52.037 0.015 0.000 0.851 292 A CB 0.165 19.177 19.000 0.020 0.000 0.881 292 A HN 0.035 nan 8.150 nan 0.000 0.494 293 E N 0.152 120.367 120.200 0.024 0.000 2.190 293 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 293 E C 2.034 178.656 176.600 0.037 0.000 0.978 293 E CA 1.023 57.443 56.400 0.035 0.000 0.839 293 E CB 0.032 29.754 29.700 0.036 0.000 0.787 293 E HN 0.688 nan 8.360 nan 0.000 0.473 294 S N 0.540 116.251 115.700 0.019 0.000 2.522 294 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 294 S C 1.886 176.502 174.600 0.026 0.000 0.986 294 S CA 0.147 58.355 58.200 0.014 0.000 0.929 294 S CB 0.068 63.257 63.200 -0.019 0.000 0.769 294 S HN 0.121 nan 8.310 nan 0.000 0.529 295 L N 0.601 121.828 121.223 0.006 0.000 2.127 295 L HA 0.349 4.689 4.340 -0.000 0.000 0.203 295 L C 2.109 178.978 176.870 -0.001 0.000 1.080 295 L CA 1.207 56.029 54.840 -0.031 0.000 0.768 295 L CB -0.730 41.302 42.059 -0.046 0.000 0.924 295 L HN 0.368 nan 8.230 nan 0.000 0.444 296 L N -0.215 121.043 121.223 0.059 0.000 2.093 296 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 296 L C 2.505 179.448 176.870 0.121 0.000 1.085 296 L CA 1.987 56.889 54.840 0.104 0.000 0.755 296 L CB -0.774 41.336 42.059 0.086 0.000 0.904 296 L HN 0.548 nan 8.230 nan 0.000 0.435 297 Q N -1.471 118.399 119.800 0.116 0.000 2.291 297 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 297 Q C 1.856 177.961 176.000 0.176 0.000 0.976 297 Q CA 1.863 57.749 55.803 0.137 0.000 0.875 297 Q CB -0.438 28.362 28.738 0.103 0.000 0.927 297 Q HN 0.550 nan 8.270 nan 0.000 0.450 298 F N -0.847 119.099 119.950 -0.007 0.000 2.262 298 F HA 0.125 4.651 4.527 -0.000 0.000 0.292 298 F C 1.542 177.389 175.800 0.078 0.000 1.081 298 F CA 1.316 59.306 58.000 -0.016 0.000 1.355 298 F CB -0.180 38.742 39.000 -0.131 0.000 1.069 298 F HN 0.198 nan 8.300 nan 0.000 0.506 299 H N -1.365 117.669 119.070 -0.060 0.000 2.529 299 H HA 0.010 4.566 4.556 -0.000 0.000 0.277 299 H C 2.054 177.366 175.328 -0.027 0.000 0.999 299 H CA 0.822 56.790 56.048 -0.133 0.000 1.256 299 H CB 0.371 30.134 29.762 0.003 0.000 1.402 299 H HN 0.156 nan 8.280 nan 0.000 0.566 300 V N 0.104 120.107 119.914 0.148 0.000 2.725 300 V HA -0.047 4.073 4.120 -0.000 0.000 0.247 300 V C 2.326 178.502 176.094 0.137 0.000 1.058 300 V CA 1.227 63.633 62.300 0.176 0.000 1.080 300 V CB 0.010 31.920 31.823 0.144 0.000 0.713 300 V HN 0.478 nan 8.190 nan 0.000 0.465 301 A N -0.487 122.377 122.820 0.073 0.000 1.903 301 A HA -0.113 4.206 4.320 -0.000 0.000 0.213 301 A C 2.365 179.938 177.584 -0.018 0.000 1.185 301 A CA 2.004 54.075 52.037 0.058 0.000 0.628 301 A CB -0.735 18.313 19.000 0.080 0.000 0.830 301 A HN 0.417 nan 8.150 nan 0.000 0.446 302 T N -1.178 113.278 114.554 -0.164 0.000 2.708 302 T HA -0.177 4.172 4.350 -0.000 0.000 0.266 302 T C 1.766 176.461 174.700 -0.009 0.000 1.037 302 T CA 1.775 63.749 62.100 -0.210 0.000 1.146 302 T CB -0.450 68.124 68.868 -0.489 0.000 0.865 302 T HN 0.590 nan 8.240 nan 0.000 0.435 303 Y N 0.988 121.245 120.300 -0.071 0.000 2.569 303 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 303 Y C 1.790 177.696 175.900 0.011 0.000 1.144 303 Y CA 0.928 59.013 58.100 -0.025 0.000 1.321 303 Y CB -0.430 38.018 38.460 -0.021 0.000 0.982 303 Y HN 0.223 nan 8.280 nan 0.000 0.558 304 M N -1.437 118.080 119.600 -0.138 0.000 2.538 304 M HA 0.180 4.660 4.480 -0.000 0.000 0.259 304 M C -0.475 175.822 176.300 -0.004 0.000 1.217 304 M CA 0.342 55.544 55.300 -0.163 0.000 1.131 304 M CB 0.718 33.267 32.600 -0.085 0.000 1.382 304 M HN -0.001 nan 8.290 nan 0.000 0.520 305 D N -0.034 120.382 120.400 0.026 0.000 2.663 305 D HA 0.260 4.900 4.640 -0.000 0.000 0.233 305 D C -1.809 174.516 176.300 0.042 0.000 1.240 305 D CA -0.304 53.730 54.000 0.057 0.000 0.774 305 D CB 1.623 42.493 40.800 0.116 0.000 1.443 305 D HN -0.115 nan 8.370 nan 0.000 0.441 306 N N 2.172 120.900 118.700 0.047 0.000 2.623 306 N HA 0.273 5.013 4.740 -0.000 0.000 0.256 306 N C -1.506 174.040 175.510 0.060 0.000 1.045 306 N CA -0.184 52.897 53.050 0.052 0.000 0.863 306 N CB 1.208 39.725 38.487 0.049 0.000 1.182 306 N HN 0.384 nan 8.380 nan 0.000 0.523 307 D N 3.599 124.042 120.400 0.071 0.000 3.937 307 D HA 0.211 4.851 4.640 -0.000 0.000 0.250 307 D C -0.364 175.978 176.300 0.071 0.000 1.434 307 D CA 0.018 54.056 54.000 0.063 0.000 0.834 307 D CB 0.155 40.986 40.800 0.052 0.000 1.395 307 D HN 0.364 nan 8.370 nan 0.000 0.778 308 I N -0.354 120.270 120.570 0.089 0.000 3.869 308 I HA 0.533 4.703 4.170 -0.000 0.000 0.260 308 I C 1.817 177.981 176.117 0.079 0.000 1.160 308 I CA -0.796 60.560 61.300 0.093 0.000 1.248 308 I CB 0.749 38.833 38.000 0.141 0.000 1.393 308 I HN -0.034 nan 8.210 nan 0.000 0.473 309 A N 0.207 123.069 122.820 0.071 0.000 1.935 309 A HA 0.285 4.605 4.320 -0.000 0.000 0.214 309 A C 1.052 178.669 177.584 0.054 0.000 1.178 309 A CA 1.095 53.160 52.037 0.046 0.000 0.640 309 A CB -0.661 18.352 19.000 0.022 0.000 0.825 309 A HN 0.728 nan 8.150 nan 0.000 0.447 310 G N -0.677 108.174 108.800 0.085 0.000 2.379 310 G HA2 0.500 4.459 3.960 -0.000 0.000 0.327 310 G HA3 0.500 4.459 3.960 -0.000 0.000 0.327 310 G C -0.724 174.300 174.900 0.206 0.000 1.145 310 G CA -0.349 44.812 45.100 0.102 0.000 0.905 310 G HN 0.278 nan 8.290 nan 0.000 0.466 311 Q N 2.769 122.671 119.800 0.170 0.000 2.425 311 Q HA 0.333 4.673 4.340 -0.000 0.000 0.254 311 Q C -2.258 173.862 176.000 0.200 0.000 1.032 311 Q CA -2.035 53.872 55.803 0.173 0.000 0.798 311 Q CB 2.146 30.947 28.738 0.105 0.000 1.210 311 Q HN 0.352 nan 8.270 nan 0.000 0.491 312 P HA 0.030 nan 4.420 nan 0.000 0.256 312 P C -0.554 176.829 177.300 0.138 0.000 1.688 312 P CA 0.204 63.466 63.100 0.269 0.000 1.162 312 P CB 0.381 32.248 31.700 0.280 0.000 1.870 313 Q N 1.004 120.868 119.800 0.107 0.000 2.319 313 Q HA 0.112 4.452 4.340 -0.000 0.000 0.202 313 Q C 1.756 177.777 176.000 0.035 0.000 0.896 313 Q CA -0.171 55.671 55.803 0.065 0.000 0.942 313 Q CB 0.231 29.002 28.738 0.054 0.000 1.083 313 Q HN 0.451 nan 8.270 nan 0.000 0.510 314 A N 1.773 124.618 122.820 0.041 0.000 2.827 314 A HA -0.257 4.062 4.320 -0.000 0.000 0.215 314 A C 1.009 178.539 177.584 -0.091 0.000 1.127 314 A CA 1.750 53.783 52.037 -0.008 0.000 1.064 314 A CB -0.861 18.148 19.000 0.014 0.000 0.693 314 A HN 0.459 nan 8.150 nan 0.000 0.535 315 L N -4.504 116.606 121.223 -0.190 0.000 7.521 315 L HA -0.324 4.016 4.340 -0.000 0.000 0.053 315 L C 1.329 177.915 176.870 -0.473 0.000 1.498 315 L CA 1.365 55.932 54.840 -0.454 0.000 1.495 315 L CB -1.108 40.784 42.059 -0.279 0.000 2.876 315 L HN 0.764 nan 8.230 nan 0.000 1.163 316 Q N -0.246 119.279 119.800 -0.458 0.000 2.282 316 Q HA 0.191 4.531 4.340 -0.000 0.000 0.206 316 Q C -0.262 175.667 176.000 -0.118 0.000 0.878 316 Q CA 0.151 55.797 55.803 -0.262 0.000 0.944 316 Q CB 0.622 29.251 28.738 -0.182 0.000 1.100 316 Q HN 0.306 nan 8.270 nan 0.000 0.509 317 K N 0.554 120.897 120.400 -0.095 0.000 2.098 317 K HA 0.172 4.492 4.320 -0.000 0.000 0.257 317 K C 0.850 177.430 176.600 -0.033 0.000 0.999 317 K CA 0.019 56.282 56.287 -0.041 0.000 0.924 317 K CB 1.229 33.719 32.500 -0.017 0.000 1.028 317 K HN -0.038 nan 8.250 nan 0.000 0.466 318 S N -0.582 115.107 115.700 -0.018 0.000 2.524 318 S HA 0.089 4.559 4.470 -0.000 0.000 0.215 318 S C 0.828 175.427 174.600 -0.003 0.000 0.986 318 S CA -0.374 57.819 58.200 -0.011 0.000 0.911 318 S CB 0.430 63.625 63.200 -0.009 0.000 0.805 318 S HN 0.654 nan 8.310 nan 0.000 0.501 319 G N 1.974 110.773 108.800 -0.000 0.000 3.428 319 G HA2 0.379 4.339 3.960 -0.000 0.000 0.344 319 G HA3 0.379 4.339 3.960 -0.000 0.000 0.344 319 G C -0.290 174.616 174.900 0.011 0.000 1.256 319 G CA -0.967 44.137 45.100 0.007 0.000 1.209 319 G HN 0.262 nan 8.290 nan 0.000 0.470 320 R N 2.587 123.095 120.500 0.013 0.000 2.730 320 R HA -0.012 4.328 4.340 -0.000 0.000 0.327 320 R C -2.186 174.130 176.300 0.028 0.000 0.825 320 R CA 0.131 56.243 56.100 0.020 0.000 1.130 320 R CB 0.213 30.530 30.300 0.028 0.000 0.883 320 R HN 0.406 nan 8.270 nan 0.000 0.407 321 P HA 0.505 nan 4.420 nan 0.000 0.293 321 P C -1.068 176.261 177.300 0.050 0.000 1.303 321 P CA -0.668 62.457 63.100 0.040 0.000 0.972 321 P CB 2.217 33.944 31.700 0.044 0.000 1.377 322 V N 0.198 120.144 119.914 0.054 0.000 3.000 322 V HA 0.383 4.502 4.120 -0.000 0.000 0.300 322 V C -0.884 175.243 176.094 0.056 0.000 1.251 322 V CA -0.472 61.864 62.300 0.059 0.000 0.972 322 V CB 2.535 34.391 31.823 0.055 0.000 1.065 322 V HN 0.531 nan 8.190 nan 0.000 0.431 323 K N 2.435 122.872 120.400 0.062 0.000 2.832 323 K HA 0.360 4.680 4.320 -0.000 0.000 0.243 323 K C 0.249 176.878 176.600 0.048 0.000 1.117 323 K CA -0.026 56.292 56.287 0.052 0.000 1.068 323 K CB 1.766 34.301 32.500 0.058 0.000 1.286 323 K HN 0.876 nan 8.250 nan 0.000 0.553 324 S N 1.763 117.479 115.700 0.026 0.000 2.371 324 S HA 0.317 4.787 4.470 -0.000 0.000 0.159 324 S C 1.240 175.814 174.600 -0.044 0.000 1.281 324 S CA 0.011 58.207 58.200 -0.006 0.000 2.161 324 S CB 0.100 63.295 63.200 -0.007 0.000 0.406 324 S HN 0.466 nan 8.310 nan 0.000 0.374 325 I N -0.688 119.850 120.570 -0.054 0.000 4.578 325 I HA 0.257 4.427 4.170 -0.000 0.000 0.312 325 I C 2.671 178.782 176.117 -0.009 0.000 1.224 325 I CA -0.223 61.049 61.300 -0.047 0.000 1.318 325 I CB 0.079 38.022 38.000 -0.095 0.000 1.388 325 I HN 0.293 nan 8.210 nan 0.000 0.461 326 R N 1.454 121.961 120.500 0.011 0.000 2.120 326 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 326 R C 2.241 178.530 176.300 -0.018 0.000 1.123 326 R CA 1.560 57.655 56.100 -0.009 0.000 0.975 326 R CB -0.122 30.189 30.300 0.019 0.000 0.866 326 R HN 0.338 nan 8.270 nan 0.000 0.446 327 A N 0.687 123.506 122.820 -0.003 0.000 2.015 327 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 327 A C 2.007 179.589 177.584 -0.003 0.000 1.163 327 A CA 0.995 53.032 52.037 0.001 0.000 0.646 327 A CB -0.177 18.831 19.000 0.012 0.000 0.806 327 A HN 0.218 nan 8.150 nan 0.000 0.448 328 R N -0.823 119.673 120.500 -0.006 0.000 2.112 328 R HA 0.191 4.531 4.340 -0.000 0.000 0.216 328 R C 1.959 178.253 176.300 -0.011 0.000 1.080 328 R CA 0.740 56.837 56.100 -0.005 0.000 0.996 328 R CB -0.315 29.984 30.300 -0.002 0.000 0.902 328 R HN 0.460 nan 8.270 nan 0.000 0.449 329 L N 0.903 122.114 121.223 -0.020 0.000 2.027 329 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 329 L C 2.294 179.141 176.870 -0.039 0.000 1.074 329 L CA 1.509 56.330 54.840 -0.032 0.000 0.745 329 L CB -0.451 41.572 42.059 -0.060 0.000 0.898 329 L HN 0.141 nan 8.230 nan 0.000 0.433 330 K N 0.203 120.578 120.400 -0.042 0.000 2.063 330 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 330 K C 2.096 178.682 176.600 -0.023 0.000 1.048 330 K CA 1.436 57.701 56.287 -0.036 0.000 0.928 330 K CB -0.493 31.989 32.500 -0.030 0.000 0.713 330 K HN 0.407 nan 8.250 nan 0.000 0.442 331 G N 1.401 110.192 108.800 -0.015 0.000 2.448 331 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 331 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 331 G C 1.265 176.158 174.900 -0.011 0.000 1.127 331 G CA 0.657 45.751 45.100 -0.010 0.000 0.766 331 G HN 0.260 nan 8.290 nan 0.000 0.552 332 K N 0.188 120.580 120.400 -0.013 0.000 2.352 332 K HA 0.085 4.404 4.320 -0.000 0.000 0.194 332 K C 2.205 178.796 176.600 -0.016 0.000 1.038 332 K CA 0.765 57.045 56.287 -0.011 0.000 1.023 332 K CB 0.289 32.785 32.500 -0.007 0.000 0.840 332 K HN 0.586 nan 8.250 nan 0.000 0.519 333 E N 0.186 120.372 120.200 -0.024 0.000 2.318 333 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 333 E C 1.673 178.256 176.600 -0.028 0.000 0.998 333 E CA 0.789 57.171 56.400 -0.030 0.000 0.859 333 E CB 0.139 29.812 29.700 -0.045 0.000 0.812 333 E HN 0.169 nan 8.360 nan 0.000 0.492 334 G N 1.105 109.891 108.800 -0.023 0.000 2.838 334 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.210 334 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.210 334 G C 1.611 176.501 174.900 -0.016 0.000 1.153 334 G CA -0.002 45.086 45.100 -0.020 0.000 0.778 334 G HN 0.139 nan 8.290 nan 0.000 0.539 335 R N -0.180 120.311 120.500 -0.015 0.000 2.173 335 R HA 0.283 4.623 4.340 -0.000 0.000 0.208 335 R C 1.921 178.214 176.300 -0.012 0.000 1.035 335 R CA 0.342 56.434 56.100 -0.012 0.000 1.004 335 R CB -0.076 30.218 30.300 -0.010 0.000 0.917 335 R HN 0.358 nan 8.270 nan 0.000 0.462 336 I N -0.157 120.405 120.570 -0.014 0.000 2.867 336 I HA -0.044 4.126 4.170 -0.000 0.000 0.265 336 I C 2.504 178.611 176.117 -0.018 0.000 1.162 336 I CA 0.312 61.604 61.300 -0.013 0.000 1.471 336 I CB -0.144 37.849 38.000 -0.012 0.000 1.123 336 I HN 0.129 nan 8.210 nan 0.000 0.440 337 R N 1.467 121.953 120.500 -0.023 0.000 2.189 337 R HA -0.071 4.269 4.340 -0.000 0.000 0.218 337 R C 2.015 178.300 176.300 -0.026 0.000 1.074 337 R CA 1.240 57.322 56.100 -0.030 0.000 0.991 337 R CB -0.198 30.078 30.300 -0.039 0.000 0.883 337 R HN 0.353 nan 8.270 nan 0.000 0.457 338 G N -0.200 108.588 108.800 -0.020 0.000 2.744 338 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.211 338 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.211 338 G C 0.980 175.873 174.900 -0.012 0.000 1.143 338 G CA 0.039 45.129 45.100 -0.016 0.000 0.788 338 G HN 0.292 nan 8.290 nan 0.000 0.534 339 N N -0.043 118.650 118.700 -0.011 0.000 2.415 339 N HA 0.121 4.861 4.740 -0.000 0.000 0.174 339 N C 2.087 177.593 175.510 -0.007 0.000 1.048 339 N CA 0.018 53.065 53.050 -0.005 0.000 0.895 339 N CB 0.227 38.712 38.487 -0.003 0.000 1.036 339 N HN 0.243 nan 8.380 nan 0.000 0.449 340 L N 0.532 121.746 121.223 -0.015 0.000 2.291 340 L HA 0.077 4.417 4.340 -0.000 0.000 0.214 340 L C 1.686 178.542 176.870 -0.022 0.000 1.120 340 L CA 0.768 55.596 54.840 -0.021 0.000 0.799 340 L CB -0.178 41.864 42.059 -0.029 0.000 0.925 340 L HN 0.054 nan 8.230 nan 0.000 0.446 341 M N -0.544 119.044 119.600 -0.020 0.000 2.505 341 M HA 0.204 4.684 4.480 -0.000 0.000 0.230 341 M C 1.220 177.517 176.300 -0.006 0.000 1.153 341 M CA 0.265 55.554 55.300 -0.018 0.000 0.997 341 M CB 0.254 32.841 32.600 -0.021 0.000 1.606 341 M HN 0.303 nan 8.290 nan 0.000 0.481 342 G N 1.675 110.476 108.800 0.000 0.000 2.296 342 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.282 342 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.282 342 G C 0.880 175.793 174.900 0.022 0.000 1.014 342 G CA 0.953 46.064 45.100 0.018 0.000 0.812 342 G HN 0.489 nan 8.290 nan 0.000 0.508 343 K N -0.386 120.019 120.400 0.008 0.000 1.978 343 K HA -0.072 4.248 4.320 -0.000 0.000 0.214 343 K C 1.550 178.153 176.600 0.005 0.000 1.049 343 K CA 1.171 57.461 56.287 0.004 0.000 0.939 343 K CB -0.083 32.415 32.500 -0.004 0.000 0.721 343 K HN 0.368 nan 8.250 nan 0.000 0.441 344 R N 2.375 122.875 120.500 -0.000 0.000 2.853 344 R HA 0.032 4.372 4.340 -0.000 0.000 0.238 344 R C -0.629 175.671 176.300 -0.001 0.000 1.538 344 R CA -0.216 55.879 56.100 -0.009 0.000 1.166 344 R CB -0.241 30.050 30.300 -0.014 0.000 1.201 344 R HN 0.062 nan 8.270 nan 0.000 0.606 345 V N 0.126 120.041 119.914 0.001 0.000 2.372 345 V HA 0.213 4.333 4.120 -0.000 0.000 0.261 345 V C 0.165 176.237 176.094 -0.037 0.000 1.055 345 V CA -0.678 61.636 62.300 0.023 0.000 0.930 345 V CB 0.876 32.722 31.823 0.039 0.000 1.031 345 V HN 0.382 nan 8.190 nan 0.000 0.479 346 D N 4.332 124.705 120.400 -0.045 0.000 2.185 346 D HA 0.548 5.188 4.640 -0.000 0.000 0.247 346 D C 0.211 176.447 176.300 -0.106 0.000 1.027 346 D CA -0.329 53.493 54.000 -0.297 0.000 0.861 346 D CB 1.537 42.042 40.800 -0.492 0.000 1.202 346 D HN 0.620 nan 8.370 nan 0.000 0.453 347 F N -0.187 119.799 119.950 0.061 0.000 3.071 347 F HA -0.277 4.250 4.527 -0.000 0.000 0.295 347 F C 0.385 176.226 175.800 0.069 0.000 0.919 347 F CA 0.013 58.060 58.000 0.078 0.000 1.050 347 F CB -2.111 36.949 39.000 0.100 0.000 1.040 347 F HN 0.144 nan 8.300 nan 0.000 0.692 348 S N -1.024 114.741 115.700 0.107 0.000 2.704 348 S HA 1.021 5.490 4.470 -0.000 0.000 0.296 348 S C -0.338 174.273 174.600 0.019 0.000 1.138 348 S CA -0.463 57.731 58.200 -0.010 0.000 0.875 348 S CB 2.671 65.750 63.200 -0.203 0.000 1.151 348 S HN 1.187 nan 8.310 nan 0.000 0.500 349 A N 0.375 123.215 122.820 0.033 0.000 2.612 349 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 349 A C -1.038 176.687 177.584 0.236 0.000 1.075 349 A CA -0.931 51.197 52.037 0.151 0.000 0.680 349 A CB 1.653 20.823 19.000 0.283 0.000 1.279 349 A HN 1.075 nan 8.150 nan 0.000 0.411 350 R N 0.190 120.827 120.500 0.228 0.000 2.535 350 R HA 0.710 5.050 4.340 -0.000 0.000 0.274 350 R C -0.978 175.399 176.300 0.129 0.000 1.090 350 R CA 0.416 56.678 56.100 0.269 0.000 0.930 350 R CB 1.845 32.203 30.300 0.097 0.000 1.223 350 R HN 1.203 nan 8.270 nan 0.000 0.441 351 T N -0.593 114.064 114.554 0.171 0.000 2.648 351 T HA 0.317 4.667 4.350 -0.000 0.000 0.304 351 T C -0.759 173.992 174.700 0.084 0.000 1.312 351 T CA -0.759 61.322 62.100 -0.031 0.000 1.023 351 T CB 0.751 69.420 68.868 -0.332 0.000 1.612 351 T HN 0.207 nan 8.240 nan 0.000 0.487 352 V N 1.948 121.873 119.914 0.018 0.000 2.614 352 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 352 V C 0.492 176.665 176.094 0.132 0.000 1.049 352 V CA -0.465 61.877 62.300 0.070 0.000 1.038 352 V CB 0.088 31.930 31.823 0.031 0.000 0.980 352 V HN 0.721 nan 8.190 nan 0.000 0.481 353 I N 2.693 123.389 120.570 0.210 0.000 2.664 353 I HA 0.856 5.026 4.170 -0.000 0.000 0.308 353 I C 0.063 176.289 176.117 0.182 0.000 0.984 353 I CA -0.258 61.214 61.300 0.286 0.000 1.213 353 I CB 1.795 40.041 38.000 0.410 0.000 1.379 353 I HN 0.659 nan 8.210 nan 0.000 0.501 354 S N 1.774 117.377 115.700 -0.161 0.000 2.562 354 S HA 0.624 5.094 4.470 -0.000 0.000 0.274 354 S C -0.342 173.604 174.600 -1.089 0.000 1.160 354 S CA -0.740 56.972 58.200 -0.813 0.000 0.933 354 S CB 0.933 63.915 63.200 -0.364 0.000 1.100 354 S HN 1.160 nan 8.310 nan 0.000 0.468 355 G N 0.664 108.315 108.800 -1.916 0.000 2.569 355 G HA2 0.478 4.438 3.960 -0.000 0.000 0.249 355 G HA3 0.478 4.438 3.960 -0.000 0.000 0.249 355 G C -0.960 173.753 174.900 -0.313 0.000 1.216 355 G CA -0.104 44.553 45.100 -0.739 0.000 0.845 355 G HN 0.784 nan 8.290 nan 0.000 0.568 356 D N 0.709 121.040 120.400 -0.116 0.000 2.616 356 D HA 0.231 4.870 4.640 -0.000 0.000 0.238 356 D C -1.823 174.470 176.300 -0.012 0.000 1.354 356 D CA -1.297 52.662 54.000 -0.068 0.000 0.970 356 D CB 2.621 43.387 40.800 -0.056 0.000 1.369 356 D HN 0.106 nan 8.370 nan 0.000 0.585 357 P HA 0.011 nan 4.420 nan 0.000 0.230 357 P C 0.474 177.785 177.300 0.018 0.000 1.158 357 P CA 0.372 63.475 63.100 0.004 0.000 0.769 357 P CB 0.609 32.294 31.700 -0.023 0.000 0.807 358 N N -0.460 118.258 118.700 0.030 0.000 2.230 358 N HA 0.153 4.893 4.740 -0.000 0.000 0.202 358 N C 0.390 175.936 175.510 0.060 0.000 1.119 358 N CA 0.041 53.133 53.050 0.069 0.000 0.851 358 N CB 0.747 39.295 38.487 0.103 0.000 0.990 358 N HN 0.259 nan 8.380 nan 0.000 0.497 359 L N 1.276 122.523 121.223 0.040 0.000 2.343 359 L HA 0.257 4.596 4.340 -0.000 0.000 0.275 359 L C 0.655 177.553 176.870 0.046 0.000 1.056 359 L CA -0.614 54.245 54.840 0.032 0.000 0.804 359 L CB 1.359 43.424 42.059 0.009 0.000 1.203 359 L HN -0.116 nan 8.230 nan 0.000 0.440 360 E N 1.577 121.803 120.200 0.043 0.000 2.390 360 E HA -0.013 4.336 4.350 -0.000 0.000 0.261 360 E C 0.780 177.404 176.600 0.040 0.000 1.076 360 E CA -0.322 56.107 56.400 0.048 0.000 0.905 360 E CB 1.326 31.049 29.700 0.038 0.000 0.984 360 E HN 0.423 nan 8.360 nan 0.000 0.427 361 L N 2.950 124.185 121.223 0.019 0.000 2.064 361 L HA -0.266 4.073 4.340 -0.000 0.000 0.216 361 L C 1.400 178.264 176.870 -0.011 0.000 1.077 361 L CA 2.541 57.352 54.840 -0.049 0.000 0.766 361 L CB -0.482 41.453 42.059 -0.206 0.000 0.890 361 L HN 0.574 nan 8.230 nan 0.000 0.435 362 D N -2.036 118.354 120.400 -0.016 0.000 2.328 362 D HA -0.019 4.621 4.640 -0.000 0.000 0.221 362 D C 0.753 177.110 176.300 0.095 0.000 1.072 362 D CA 0.034 54.015 54.000 -0.033 0.000 0.850 362 D CB -0.171 40.581 40.800 -0.081 0.000 0.922 362 D HN 0.551 nan 8.370 nan 0.000 0.516 363 Q N -0.513 119.363 119.800 0.127 0.000 2.162 363 Q HA 0.581 4.920 4.340 -0.000 0.000 0.197 363 Q C -0.965 175.039 176.000 0.006 0.000 1.013 363 Q CA -1.067 54.781 55.803 0.075 0.000 1.040 363 Q CB 2.523 31.267 28.738 0.010 0.000 1.114 363 Q HN 0.038 nan 8.270 nan 0.000 0.547 364 V N -0.321 119.477 119.914 -0.193 0.000 2.737 364 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 364 V C -1.037 174.889 176.094 -0.280 0.000 1.163 364 V CA -0.420 61.579 62.300 -0.503 0.000 0.925 364 V CB 1.621 32.833 31.823 -1.017 0.000 1.037 364 V HN 0.786 nan 8.190 nan 0.000 0.433 365 G N 5.141 113.831 108.800 -0.183 0.000 2.380 365 G HA2 0.539 4.498 3.960 -0.000 0.000 0.262 365 G HA3 0.539 4.498 3.960 -0.000 0.000 0.262 365 G C -0.742 174.185 174.900 0.044 0.000 1.243 365 G CA -0.248 44.817 45.100 -0.058 0.000 0.865 365 G HN 1.026 nan 8.290 nan 0.000 0.513 366 V N 5.659 125.592 119.914 0.031 0.000 2.409 366 V HA 0.331 4.451 4.120 -0.000 0.000 0.291 366 V C -1.916 174.161 176.094 -0.029 0.000 1.020 366 V CA -1.761 60.599 62.300 0.099 0.000 0.848 366 V CB 2.073 33.956 31.823 0.100 0.000 0.990 366 V HN 0.675 nan 8.190 nan 0.000 0.430 367 P HA 0.062 nan 4.420 nan 0.000 0.264 367 P C 0.698 177.918 177.300 -0.134 0.000 1.193 367 P CA 0.061 63.082 63.100 -0.131 0.000 0.763 367 P CB 0.988 32.579 31.700 -0.183 0.000 0.810 368 K N 2.560 122.864 120.400 -0.160 0.000 2.127 368 K HA -0.247 4.073 4.320 -0.000 0.000 0.212 368 K C 2.088 178.615 176.600 -0.123 0.000 1.050 368 K CA 2.608 58.786 56.287 -0.181 0.000 0.929 368 K CB -0.382 32.014 32.500 -0.174 0.000 0.715 368 K HN 0.598 nan 8.250 nan 0.000 0.457 369 S N 0.637 116.270 115.700 -0.111 0.000 2.368 369 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 369 S C 2.019 176.570 174.600 -0.082 0.000 1.030 369 S CA 1.270 59.417 58.200 -0.089 0.000 0.999 369 S CB -0.479 62.671 63.200 -0.084 0.000 0.844 369 S HN 0.320 nan 8.310 nan 0.000 0.459 370 I N 2.024 122.544 120.570 -0.082 0.000 2.315 370 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 370 I C 3.065 179.179 176.117 -0.006 0.000 1.117 370 I CA 1.062 62.338 61.300 -0.041 0.000 1.404 370 I CB -0.664 37.305 38.000 -0.051 0.000 1.071 370 I HN 0.474 nan 8.210 nan 0.000 0.419 371 A N 0.749 123.554 122.820 -0.024 0.000 1.902 371 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 371 A C 2.247 179.783 177.584 -0.080 0.000 1.181 371 A CA 1.479 53.524 52.037 0.014 0.000 0.623 371 A CB -0.416 18.579 19.000 -0.007 0.000 0.818 371 A HN 0.305 nan 8.150 nan 0.000 0.443 372 K N -0.830 119.436 120.400 -0.222 0.000 2.280 372 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 372 K C 1.717 178.092 176.600 -0.376 0.000 1.047 372 K CA 1.561 57.437 56.287 -0.685 0.000 0.942 372 K CB -0.151 32.128 32.500 -0.369 0.000 0.739 372 K HN 0.518 nan 8.250 nan 0.000 0.457 373 T N 0.892 115.386 114.554 -0.100 0.000 2.983 373 T HA 0.104 4.453 4.350 -0.000 0.000 0.250 373 T C 0.724 175.498 174.700 0.124 0.000 1.037 373 T CA 0.266 62.384 62.100 0.030 0.000 1.142 373 T CB 0.160 69.043 68.868 0.026 0.000 0.876 373 T HN 0.008 nan 8.240 nan 0.000 0.455 374 L N 1.910 123.215 121.223 0.136 0.000 2.380 374 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 374 L C 0.368 177.398 176.870 0.267 0.000 1.138 374 L CA -0.096 54.881 54.840 0.228 0.000 0.832 374 L CB 0.897 43.080 42.059 0.207 0.000 1.124 374 L HN 0.093 nan 8.230 nan 0.000 0.454 375 T N 1.266 116.021 114.554 0.335 0.000 2.930 375 T HA 0.517 4.866 4.350 -0.000 0.000 0.290 375 T C -1.652 173.171 174.700 0.205 0.000 1.052 375 T CA -0.349 61.923 62.100 0.287 0.000 1.017 375 T CB 1.473 70.524 68.868 0.305 0.000 1.137 375 T HN 0.362 nan 8.240 nan 0.000 0.511 376 Y N 3.643 123.955 120.300 0.020 0.000 2.332 376 Y HA 0.434 4.984 4.550 -0.000 0.000 0.325 376 Y C -2.609 173.269 175.900 -0.037 0.000 1.054 376 Y CA -2.545 55.521 58.100 -0.058 0.000 1.119 376 Y CB 1.934 40.381 38.460 -0.022 0.000 1.168 376 Y HN 0.304 nan 8.280 nan 0.000 0.439 377 P HA 0.057 nan 4.420 nan 0.000 0.271 377 P C -0.843 176.041 177.300 -0.693 0.000 1.380 377 P CA 0.328 63.111 63.100 -0.528 0.000 0.992 377 P CB 0.570 32.025 31.700 -0.409 0.000 1.230 378 E N 3.562 123.557 120.200 -0.341 0.000 2.113 378 E HA 0.285 4.635 4.350 -0.000 0.000 0.273 378 E C -0.579 176.000 176.600 -0.036 0.000 0.924 378 E CA -0.935 55.375 56.400 -0.149 0.000 0.764 378 E CB 1.088 30.824 29.700 0.060 0.000 1.104 378 E HN 0.091 nan 8.360 nan 0.000 0.406 379 V N 4.480 124.383 119.914 -0.018 0.000 2.740 379 V HA 0.009 4.128 4.120 -0.000 0.000 0.303 379 V C 0.457 176.585 176.094 0.056 0.000 1.054 379 V CA -0.364 61.955 62.300 0.032 0.000 1.106 379 V CB 1.192 33.031 31.823 0.027 0.000 0.957 379 V HN 0.545 nan 8.190 nan 0.000 0.486 380 V N 4.342 124.307 119.914 0.085 0.000 3.051 380 V HA 0.403 4.523 4.120 -0.000 0.000 0.306 380 V C 0.445 176.549 176.094 0.017 0.000 1.083 380 V CA 0.272 62.621 62.300 0.082 0.000 1.104 380 V CB 1.238 33.128 31.823 0.113 0.000 1.027 380 V HN 1.085 nan 8.190 nan 0.000 0.483 381 T N 3.707 118.243 114.554 -0.030 0.000 2.886 381 T HA 0.297 4.647 4.350 -0.000 0.000 0.330 381 T C -2.263 172.176 174.700 -0.435 0.000 1.488 381 T CA -0.502 61.399 62.100 -0.332 0.000 1.054 381 T CB 2.182 70.881 68.868 -0.281 0.000 1.348 381 T HN 0.426 nan 8.240 nan 0.000 0.489 382 P HA -0.114 nan 4.420 nan 0.000 0.218 382 P C 0.125 177.264 177.300 -0.269 0.000 1.146 382 P CA 1.411 64.165 63.100 -0.576 0.000 0.813 382 P CB -0.284 30.978 31.700 -0.729 0.000 0.778 383 Y N 0.520 120.768 120.300 -0.086 0.000 2.783 383 Y HA 0.511 5.061 4.550 -0.000 0.000 0.382 383 Y C 0.698 176.593 175.900 -0.008 0.000 1.076 383 Y CA -1.055 57.025 58.100 -0.033 0.000 1.530 383 Y CB -1.095 37.343 38.460 -0.037 0.000 1.546 383 Y HN 0.026 nan 8.280 nan 0.000 0.537 384 N N -1.592 117.175 118.700 0.112 0.000 2.031 384 N HA -0.104 4.636 4.740 -0.000 0.000 0.268 384 N C 0.254 175.806 175.510 0.071 0.000 1.408 384 N CA 0.177 53.285 53.050 0.097 0.000 1.088 384 N CB -1.244 37.309 38.487 0.111 0.000 1.411 384 N HN 0.413 nan 8.380 nan 0.000 0.738 385 I N 1.405 122.017 120.570 0.070 0.000 2.163 385 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 385 I C 1.389 177.531 176.117 0.042 0.000 1.085 385 I CA 1.895 63.233 61.300 0.063 0.000 1.347 385 I CB -0.456 37.591 38.000 0.078 0.000 1.044 385 I HN 0.173 nan 8.210 nan 0.000 0.408 386 D N 0.629 121.054 120.400 0.042 0.000 2.137 386 D HA -0.272 4.368 4.640 -0.000 0.000 0.189 386 D C 2.158 178.474 176.300 0.027 0.000 0.998 386 D CA 1.664 55.682 54.000 0.030 0.000 0.839 386 D CB -0.444 40.376 40.800 0.033 0.000 0.962 386 D HN 0.311 nan 8.370 nan 0.000 0.446 387 R N 0.575 121.096 120.500 0.036 0.000 2.082 387 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 387 R C 2.780 179.096 176.300 0.026 0.000 1.136 387 R CA 0.953 57.072 56.100 0.031 0.000 0.935 387 R CB -0.589 29.736 30.300 0.041 0.000 0.842 387 R HN 0.155 nan 8.270 nan 0.000 0.430 388 L N 0.193 121.438 121.223 0.037 0.000 2.043 388 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 388 L C 2.468 179.351 176.870 0.021 0.000 1.075 388 L CA 1.957 56.818 54.840 0.034 0.000 0.752 388 L CB -0.495 41.596 42.059 0.053 0.000 0.891 388 L HN 0.366 nan 8.230 nan 0.000 0.432 389 T N -1.637 112.930 114.554 0.022 0.000 2.788 389 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 389 T C 1.778 176.479 174.700 0.002 0.000 1.044 389 T CA 1.377 63.485 62.100 0.014 0.000 1.139 389 T CB -0.130 68.742 68.868 0.007 0.000 0.867 389 T HN 0.221 nan 8.240 nan 0.000 0.454 390 Q N 0.824 120.624 119.800 0.001 0.000 2.119 390 Q HA 0.060 4.400 4.340 -0.000 0.000 0.201 390 Q C 2.076 178.063 176.000 -0.022 0.000 0.972 390 Q CA 1.253 57.052 55.803 -0.007 0.000 0.847 390 Q CB -0.581 28.157 28.738 -0.001 0.000 0.903 390 Q HN 0.488 nan 8.270 nan 0.000 0.433 391 L N -0.736 120.469 121.223 -0.029 0.000 2.027 391 L HA -0.135 4.204 4.340 -0.000 0.000 0.206 391 L C 2.267 179.088 176.870 -0.082 0.000 1.074 391 L CA 1.148 55.948 54.840 -0.065 0.000 0.745 391 L CB -0.857 41.161 42.059 -0.068 0.000 0.898 391 L HN 0.125 nan 8.230 nan 0.000 0.433 392 V N -0.095 119.787 119.914 -0.053 0.000 2.332 392 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 392 V C 2.641 178.705 176.094 -0.049 0.000 1.055 392 V CA 1.700 63.968 62.300 -0.053 0.000 1.038 392 V CB -0.741 31.075 31.823 -0.011 0.000 0.651 392 V HN 0.405 nan 8.190 nan 0.000 0.450 393 R N 0.268 120.750 120.500 -0.031 0.000 2.081 393 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 393 R C 2.275 178.557 176.300 -0.030 0.000 1.131 393 R CA 1.584 57.670 56.100 -0.024 0.000 0.960 393 R CB -0.369 29.923 30.300 -0.013 0.000 0.856 393 R HN 0.552 nan 8.270 nan 0.000 0.436 394 N N -0.032 118.645 118.700 -0.038 0.000 2.289 394 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 394 N C 0.959 176.443 175.510 -0.042 0.000 1.016 394 N CA 1.305 54.335 53.050 -0.034 0.000 0.872 394 N CB -0.116 38.348 38.487 -0.038 0.000 0.973 394 N HN 0.365 nan 8.380 nan 0.000 0.433 395 G N 0.558 109.313 108.800 -0.076 0.000 2.828 395 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.463 395 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.463 395 G C -1.930 172.909 174.900 -0.102 0.000 1.394 395 G CA -0.129 44.919 45.100 -0.087 0.000 0.862 395 G HN 0.083 nan 8.290 nan 0.000 0.540 396 P HA -0.025 nan 4.420 nan 0.000 0.228 396 P C 0.559 177.964 177.300 0.176 0.000 1.151 396 P CA 1.681 64.784 63.100 0.005 0.000 0.770 396 P CB -0.204 31.451 31.700 -0.074 0.000 0.786 397 N N -0.627 118.140 118.700 0.111 0.000 2.642 397 N HA 0.234 4.974 4.740 -0.000 0.000 0.308 397 N C -0.753 174.812 175.510 0.092 0.000 1.914 397 N CA -0.407 52.709 53.050 0.110 0.000 0.893 397 N CB 0.330 38.851 38.487 0.056 0.000 1.322 397 N HN -0.010 nan 8.380 nan 0.000 0.490 398 E N -0.070 120.207 120.200 0.130 0.000 2.404 398 E HA 0.035 4.384 4.350 -0.000 0.000 0.298 398 E C -0.229 176.463 176.600 0.152 0.000 0.908 398 E CA -0.353 56.107 56.400 0.101 0.000 0.808 398 E CB 0.853 30.585 29.700 0.053 0.000 1.380 398 E HN 0.350 nan 8.360 nan 0.000 0.392 399 H N 4.417 123.550 119.070 0.105 0.000 2.291 399 H HA -0.185 4.371 4.556 -0.000 0.000 0.275 399 H C -1.516 173.961 175.328 0.248 0.000 1.115 399 H CA 2.883 59.014 56.048 0.139 0.000 1.200 399 H CB -0.781 29.007 29.762 0.044 0.000 1.444 399 H HN 0.339 nan 8.280 nan 0.000 0.576 400 P HA 0.177 nan 4.420 nan 0.000 0.231 400 P C -0.336 176.849 177.300 -0.192 0.000 1.756 400 P CA 0.794 63.639 63.100 -0.425 0.000 0.990 400 P CB 0.294 31.908 31.700 -0.144 0.000 1.973 401 G N 0.185 108.886 108.800 -0.166 0.000 3.122 401 G HA2 0.856 4.815 3.960 -0.000 0.000 0.180 401 G HA3 0.856 4.815 3.960 -0.000 0.000 0.180 401 G C -1.189 173.299 174.900 -0.687 0.000 1.279 401 G CA -0.553 44.362 45.100 -0.308 0.000 0.987 401 G HN 0.379 nan 8.290 nan 0.000 0.589 402 A N -1.722 120.640 122.820 -0.763 0.000 2.586 402 A HA 0.747 5.066 4.320 -0.000 0.000 0.290 402 A C -0.770 176.590 177.584 -0.374 0.000 1.086 402 A CA -0.615 51.066 52.037 -0.593 0.000 0.665 402 A CB 1.181 20.035 19.000 -0.244 0.000 1.279 402 A HN 0.620 nan 8.150 nan 0.000 0.423 403 K N -0.704 119.600 120.400 -0.160 0.000 2.270 403 K HA 0.632 4.952 4.320 -0.000 0.000 0.248 403 K C -0.999 175.550 176.600 -0.085 0.000 1.076 403 K CA -0.885 55.329 56.287 -0.123 0.000 0.957 403 K CB 0.053 32.608 32.500 0.092 0.000 1.400 403 K HN 0.580 nan 8.250 nan 0.000 0.573 404 Y N 0.439 120.700 120.300 -0.065 0.000 3.298 404 Y HA -0.202 4.348 4.550 -0.000 0.000 0.379 404 Y C 0.148 176.010 175.900 -0.063 0.000 1.119 404 Y CA 0.039 58.101 58.100 -0.064 0.000 1.514 404 Y CB -0.617 37.815 38.460 -0.045 0.000 1.004 404 Y HN 0.051 nan 8.280 nan 0.000 0.605 405 V N 5.500 125.446 119.914 0.053 0.000 2.487 405 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 405 V C -0.085 175.969 176.094 -0.068 0.000 1.028 405 V CA -1.010 61.291 62.300 0.001 0.000 0.860 405 V CB 1.780 33.592 31.823 -0.017 0.000 0.991 405 V HN 0.533 nan 8.190 nan 0.000 0.427 406 I N 5.114 125.632 120.570 -0.088 0.000 2.362 406 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 406 I C 0.336 176.234 176.117 -0.366 0.000 0.994 406 I CA -0.517 60.679 61.300 -0.174 0.000 1.158 406 I CB 1.627 39.573 38.000 -0.089 0.000 1.315 406 I HN 0.526 nan 8.210 nan 0.000 0.451 407 R N 3.164 123.293 120.500 -0.618 0.000 2.549 407 R HA 0.219 4.559 4.340 -0.000 0.000 0.259 407 R C 0.650 176.700 176.300 -0.416 0.000 1.095 407 R CA -0.690 54.736 56.100 -1.123 0.000 1.148 407 R CB 0.613 30.190 30.300 -1.205 0.000 1.181 407 R HN 0.498 nan 8.270 nan 0.000 0.571 408 D N 0.505 120.823 120.400 -0.137 0.000 2.204 408 D HA -0.205 4.434 4.640 -0.000 0.000 0.189 408 D C 1.141 177.446 176.300 0.008 0.000 1.006 408 D CA 2.270 56.338 54.000 0.113 0.000 0.855 408 D CB -0.459 40.476 40.800 0.226 0.000 0.946 408 D HN 0.545 nan 8.370 nan 0.000 0.448 409 S N -0.668 115.011 115.700 -0.035 0.000 2.954 409 S HA 0.301 4.771 4.470 -0.000 0.000 0.234 409 S C 1.544 176.108 174.600 -0.060 0.000 0.978 409 S CA 0.494 58.672 58.200 -0.037 0.000 1.045 409 S CB -0.328 62.851 63.200 -0.034 0.000 0.807 409 S HN 0.471 nan 8.310 nan 0.000 0.508 410 G N 1.085 109.842 108.800 -0.072 0.000 2.175 410 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.265 410 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.265 410 G C -0.242 174.605 174.900 -0.088 0.000 0.979 410 G CA 0.269 45.326 45.100 -0.071 0.000 0.663 410 G HN 0.603 nan 8.290 nan 0.000 0.533 411 D N -0.323 120.003 120.400 -0.123 0.000 2.399 411 D HA 0.315 4.955 4.640 -0.000 0.000 0.241 411 D C 0.758 176.989 176.300 -0.116 0.000 1.133 411 D CA 0.165 54.093 54.000 -0.119 0.000 0.890 411 D CB 0.693 41.401 40.800 -0.154 0.000 1.201 411 D HN 0.286 nan 8.370 nan 0.000 0.432 412 R N 2.223 122.688 120.500 -0.059 0.000 2.312 412 R HA 0.328 4.667 4.340 -0.000 0.000 0.310 412 R C -0.445 175.882 176.300 0.045 0.000 1.064 412 R CA -0.549 55.555 56.100 0.008 0.000 0.983 412 R CB 0.169 30.493 30.300 0.039 0.000 1.139 412 R HN 0.390 nan 8.270 nan 0.000 0.536 413 I N 3.252 123.813 120.570 -0.015 0.000 2.421 413 I HA -0.010 4.160 4.170 -0.000 0.000 0.291 413 I C 0.244 176.320 176.117 -0.068 0.000 1.089 413 I CA 0.132 61.403 61.300 -0.049 0.000 1.354 413 I CB 0.651 38.588 38.000 -0.105 0.000 1.413 413 I HN 0.405 nan 8.210 nan 0.000 0.513 414 D N 7.789 128.111 120.400 -0.129 0.000 2.365 414 D HA 0.121 4.760 4.640 -0.000 0.000 0.237 414 D C 0.902 176.990 176.300 -0.354 0.000 1.190 414 D CA -0.236 53.516 54.000 -0.413 0.000 0.867 414 D CB 1.086 41.659 40.800 -0.378 0.000 1.050 414 D HN 0.459 nan 8.370 nan 0.000 0.491 415 L N 3.887 124.886 121.223 -0.374 0.000 2.721 415 L HA -0.082 4.258 4.340 -0.000 0.000 0.241 415 L C 2.158 178.881 176.870 -0.244 0.000 1.168 415 L CA 0.473 55.165 54.840 -0.246 0.000 0.866 415 L CB -0.325 41.610 42.059 -0.206 0.000 0.996 415 L HN 0.390 nan 8.230 nan 0.000 0.451 416 R N -0.967 119.305 120.500 -0.379 0.000 2.221 416 R HA 0.042 4.382 4.340 -0.000 0.000 0.195 416 R C 0.130 176.378 176.300 -0.088 0.000 0.956 416 R CA 0.035 55.929 56.100 -0.344 0.000 1.064 416 R CB 0.101 30.032 30.300 -0.615 0.000 1.049 416 R HN 0.235 nan 8.270 nan 0.000 0.534 417 Y N 1.347 121.595 120.300 -0.087 0.000 2.787 417 Y HA 0.465 5.015 4.550 -0.000 0.000 0.352 417 Y C -0.526 175.341 175.900 -0.054 0.000 1.027 417 Y CA -1.150 56.916 58.100 -0.055 0.000 1.219 417 Y CB 1.731 40.166 38.460 -0.043 0.000 1.110 417 Y HN -0.000 nan 8.280 nan 0.000 0.614 418 S N 2.416 118.161 115.700 0.075 0.000 2.599 418 S HA 0.114 4.584 4.470 -0.000 0.000 0.269 418 S C 0.532 175.142 174.600 0.016 0.000 1.135 418 S CA -0.982 57.234 58.200 0.026 0.000 1.027 418 S CB 0.628 63.815 63.200 -0.021 0.000 1.129 418 S HN 0.792 nan 8.310 nan 0.000 0.458 419 K N 3.492 123.903 120.400 0.018 0.000 2.374 419 K HA -0.087 4.232 4.320 -0.000 0.000 0.202 419 K C 0.616 177.220 176.600 0.007 0.000 1.044 419 K CA 1.232 57.527 56.287 0.012 0.000 0.933 419 K CB -0.196 32.310 32.500 0.010 0.000 0.745 419 K HN 0.531 nan 8.250 nan 0.000 0.474 420 R N 0.152 120.654 120.500 0.002 0.000 3.135 420 R HA 0.274 4.613 4.340 -0.000 0.000 0.343 420 R C 0.469 176.768 176.300 -0.002 0.000 1.227 420 R CA 0.112 56.214 56.100 0.003 0.000 1.227 420 R CB 1.151 31.454 30.300 0.006 0.000 1.436 420 R HN 0.264 nan 8.270 nan 0.000 0.595 421 A N 0.012 122.827 122.820 -0.007 0.000 1.984 421 A HA 0.090 4.409 4.320 -0.000 0.000 0.214 421 A C 1.886 179.464 177.584 -0.009 0.000 1.173 421 A CA 0.902 52.928 52.037 -0.017 0.000 0.673 421 A CB 0.094 19.078 19.000 -0.027 0.000 0.830 421 A HN 0.465 nan 8.150 nan 0.000 0.453 422 G N -0.966 107.832 108.800 -0.002 0.000 2.920 422 G HA2 0.120 4.080 3.960 -0.000 0.000 0.208 422 G HA3 0.120 4.080 3.960 -0.000 0.000 0.208 422 G C 0.639 175.542 174.900 0.005 0.000 1.159 422 G CA 0.749 45.849 45.100 -0.000 0.000 0.784 422 G HN 0.457 nan 8.290 nan 0.000 0.535 423 D N 0.104 120.510 120.400 0.011 0.000 3.387 423 D HA 0.247 4.887 4.640 -0.000 0.000 0.216 423 D C 0.512 176.833 176.300 0.035 0.000 1.147 423 D CA -0.434 53.578 54.000 0.020 0.000 1.258 423 D CB 0.493 41.307 40.800 0.023 0.000 0.945 423 D HN 0.020 nan 8.370 nan 0.000 0.225 424 I N 1.378 121.985 120.570 0.061 0.000 8.342 424 I HA -0.209 3.961 4.170 -0.000 0.000 0.126 424 I C -0.890 175.288 176.117 0.101 0.000 1.849 424 I CA 0.052 61.421 61.300 0.116 0.000 2.049 424 I CB -0.479 37.582 38.000 0.102 0.000 3.803 424 I HN 0.349 nan 8.210 nan 0.000 0.173 425 Q N 7.329 127.193 119.800 0.107 0.000 2.509 425 Q HA 0.523 4.862 4.340 -0.000 0.000 0.236 425 Q C -0.082 175.857 176.000 -0.103 0.000 1.073 425 Q CA -0.673 55.121 55.803 -0.015 0.000 0.867 425 Q CB 1.298 30.000 28.738 -0.059 0.000 1.181 425 Q HN 0.568 nan 8.270 nan 0.000 0.526 426 L N 1.772 122.964 121.223 -0.052 0.000 2.554 426 L HA -0.071 4.268 4.340 -0.000 0.000 0.293 426 L C 0.769 177.301 176.870 -0.564 0.000 1.252 426 L CA 0.836 55.602 54.840 -0.123 0.000 0.862 426 L CB 0.024 42.096 42.059 0.022 0.000 1.113 426 L HN 0.375 nan 8.230 nan 0.000 0.510 427 Q N 1.760 120.975 119.800 -0.974 0.000 2.394 427 Q HA 0.333 4.673 4.340 -0.000 0.000 0.273 427 Q C -1.177 174.515 176.000 -0.515 0.000 1.089 427 Q CA -0.796 54.368 55.803 -1.065 0.000 0.812 427 Q CB 2.162 29.790 28.738 -1.849 0.000 1.353 427 Q HN 0.428 nan 8.270 nan 0.000 0.438 428 Y N 0.308 120.378 120.300 -0.383 0.000 2.745 428 Y HA 0.052 4.602 4.550 -0.000 0.000 0.335 428 Y C 1.500 177.302 175.900 -0.163 0.000 1.212 428 Y CA 0.818 58.785 58.100 -0.222 0.000 1.535 428 Y CB 0.167 38.516 38.460 -0.186 0.000 1.220 428 Y HN 1.053 nan 8.280 nan 0.000 0.531 429 G N 1.945 110.805 108.800 0.101 0.000 2.352 429 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.204 429 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.204 429 G C -0.208 174.848 174.900 0.260 0.000 1.004 429 G CA -0.709 44.473 45.100 0.137 0.000 0.648 429 G HN 0.520 nan 8.290 nan 0.000 0.491 430 W N 1.587 122.903 121.300 0.026 0.000 2.049 430 W HA 0.710 5.370 4.660 -0.000 0.000 0.356 430 W C 0.741 177.258 176.519 -0.004 0.000 1.323 430 W CA -0.449 56.900 57.345 0.007 0.000 1.336 430 W CB 0.279 29.742 29.460 0.005 0.000 1.176 430 W HN 0.035 nan 8.180 nan 0.000 0.623 431 K N 0.711 121.229 120.400 0.196 0.000 2.270 431 K HA 0.526 4.846 4.320 -0.000 0.000 0.255 431 K C -1.292 175.347 176.600 0.066 0.000 0.936 431 K CA -0.880 55.453 56.287 0.077 0.000 0.809 431 K CB 2.166 34.663 32.500 -0.004 0.000 1.131 431 K HN 0.037 nan 8.250 nan 0.000 0.427 432 V N 3.123 123.064 119.914 0.045 0.000 2.284 432 V HA 0.121 4.240 4.120 -0.000 0.000 0.274 432 V C -0.300 175.798 176.094 0.006 0.000 1.023 432 V CA -0.824 61.499 62.300 0.039 0.000 0.808 432 V CB 0.845 32.698 31.823 0.050 0.000 1.035 432 V HN 0.735 nan 8.190 nan 0.000 0.445 433 E N 5.603 125.812 120.200 0.015 0.000 1.833 433 E HA 0.080 4.430 4.350 -0.000 0.000 0.258 433 E C 0.701 177.329 176.600 0.047 0.000 1.257 433 E CA -0.223 56.190 56.400 0.021 0.000 1.003 433 E CB 0.294 30.041 29.700 0.078 0.000 1.068 433 E HN 0.688 nan 8.360 nan 0.000 0.422 434 R N 2.225 122.754 120.500 0.049 0.000 2.840 434 R HA 0.115 4.455 4.340 -0.000 0.000 0.282 434 R C 0.033 176.412 176.300 0.131 0.000 1.133 434 R CA -0.300 55.819 56.100 0.032 0.000 1.208 434 R CB 0.349 30.691 30.300 0.071 0.000 1.160 434 R HN 0.361 nan 8.270 nan 0.000 0.576 435 H N -0.303 118.792 119.070 0.041 0.000 2.546 435 H HA 0.277 4.833 4.556 -0.000 0.000 0.365 435 H C 0.304 175.693 175.328 0.102 0.000 1.220 435 H CA -0.941 55.142 56.048 0.059 0.000 1.386 435 H CB 0.633 30.369 29.762 -0.044 0.000 1.510 435 H HN 0.379 nan 8.280 nan 0.000 0.591 436 I N 2.998 123.736 120.570 0.281 0.000 2.496 436 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 436 I C 0.641 176.915 176.117 0.261 0.000 1.080 436 I CA 0.466 61.894 61.300 0.212 0.000 1.404 436 I CB 0.099 38.197 38.000 0.165 0.000 1.403 436 I HN 0.315 nan 8.210 nan 0.000 0.539 437 M N 3.866 123.572 119.600 0.177 0.000 2.796 437 M HA 0.372 4.852 4.480 -0.000 0.000 0.303 437 M C -0.579 175.786 176.300 0.108 0.000 1.240 437 M CA -1.095 54.325 55.300 0.199 0.000 0.831 437 M CB 1.306 33.994 32.600 0.147 0.000 1.750 437 M HN 0.319 nan 8.290 nan 0.000 0.484 438 D N 1.762 122.222 120.400 0.099 0.000 2.506 438 D HA 0.031 4.671 4.640 -0.000 0.000 0.234 438 D C 0.230 176.545 176.300 0.025 0.000 1.143 438 D CA 1.068 55.094 54.000 0.044 0.000 0.871 438 D CB 0.140 40.964 40.800 0.039 0.000 1.190 438 D HN 0.604 nan 8.370 nan 0.000 0.459 439 N N 0.071 118.774 118.700 0.006 0.000 2.936 439 N HA -0.174 4.566 4.740 -0.000 0.000 0.236 439 N C -0.872 174.625 175.510 -0.023 0.000 0.930 439 N CA 0.778 53.825 53.050 -0.006 0.000 0.966 439 N CB -1.068 37.418 38.487 -0.003 0.000 1.090 439 N HN 0.442 nan 8.380 nan 0.000 0.592 440 D N 1.361 121.746 120.400 -0.025 0.000 2.389 440 D HA 0.197 4.837 4.640 -0.000 0.000 0.247 440 D C -2.040 174.225 176.300 -0.059 0.000 1.128 440 D CA -0.906 53.055 54.000 -0.065 0.000 0.884 440 D CB 0.649 41.410 40.800 -0.065 0.000 1.194 440 D HN 0.156 nan 8.370 nan 0.000 0.441 441 P HA 0.113 nan 4.420 nan 0.000 0.281 441 P C -0.762 176.519 177.300 -0.031 0.000 1.252 441 P CA -0.443 62.627 63.100 -0.050 0.000 0.778 441 P CB 1.009 32.672 31.700 -0.062 0.000 0.895 442 V N 1.459 121.382 119.914 0.016 0.000 2.971 442 V HA 0.472 4.592 4.120 -0.000 0.000 0.309 442 V C -0.735 175.433 176.094 0.122 0.000 1.130 442 V CA -1.214 61.119 62.300 0.055 0.000 0.964 442 V CB 2.202 34.044 31.823 0.033 0.000 1.029 442 V HN 0.327 nan 8.190 nan 0.000 0.427 443 L N 3.636 124.960 121.223 0.168 0.000 2.290 443 L HA 0.552 4.891 4.340 -0.000 0.000 0.284 443 L C -1.083 175.992 176.870 0.341 0.000 1.078 443 L CA -0.247 54.725 54.840 0.221 0.000 0.815 443 L CB 1.243 43.394 42.059 0.152 0.000 1.162 443 L HN 0.791 nan 8.230 nan 0.000 0.435 444 F N 5.840 125.890 119.950 0.166 0.000 2.507 444 F HA 0.484 5.011 4.527 -0.000 0.000 0.325 444 F C -0.278 175.642 175.800 0.200 0.000 1.116 444 F CA -0.847 57.191 58.000 0.063 0.000 0.930 444 F CB 1.387 40.354 39.000 -0.054 0.000 1.146 444 F HN 0.518 nan 8.300 nan 0.000 0.447 445 N N 4.860 123.438 118.700 -0.204 0.000 2.405 445 N HA 0.345 5.085 4.740 -0.000 0.000 0.274 445 N C -2.059 173.301 175.510 -0.251 0.000 1.170 445 N CA -0.814 52.211 53.050 -0.041 0.000 0.848 445 N CB 2.596 41.139 38.487 0.095 0.000 1.629 445 N HN 0.813 nan 8.380 nan 0.000 0.481 446 R N 1.155 121.623 120.500 -0.052 0.000 2.589 446 R HA 0.355 4.695 4.340 -0.000 0.000 0.293 446 R C -0.735 175.552 176.300 -0.022 0.000 0.963 446 R CA -0.395 55.644 56.100 -0.101 0.000 0.905 446 R CB 1.467 31.718 30.300 -0.082 0.000 1.144 446 R HN 0.604 nan 8.270 nan 0.000 0.459 447 Q N 3.721 123.496 119.800 -0.042 0.000 2.214 447 Q HA 0.409 4.749 4.340 -0.000 0.000 0.251 447 Q C -2.077 173.900 176.000 -0.037 0.000 0.936 447 Q CA -2.073 53.712 55.803 -0.030 0.000 0.894 447 Q CB 1.623 30.346 28.738 -0.025 0.000 1.252 447 Q HN 0.522 nan 8.270 nan 0.000 0.448 448 P HA 0.087 nan 4.420 nan 0.000 0.279 448 P C -0.922 176.345 177.300 -0.056 0.000 1.239 448 P CA -0.354 62.718 63.100 -0.047 0.000 0.789 448 P CB 0.893 32.560 31.700 -0.055 0.000 0.933 449 S N 2.499 118.172 115.700 -0.046 0.000 2.681 449 S HA 0.165 4.635 4.470 -0.000 0.000 0.313 449 S C 0.895 175.452 174.600 -0.072 0.000 1.137 449 S CA -0.440 57.733 58.200 -0.044 0.000 1.045 449 S CB -0.650 62.536 63.200 -0.023 0.000 1.208 449 S HN 0.316 nan 8.310 nan 0.000 0.523 450 L N 1.076 122.221 121.223 -0.129 0.000 2.818 450 L HA 0.512 4.852 4.340 -0.000 0.000 0.243 450 L C 0.556 177.341 176.870 -0.141 0.000 1.185 450 L CA 0.152 54.892 54.840 -0.166 0.000 0.988 450 L CB -0.836 41.083 42.059 -0.234 0.000 1.292 450 L HN 0.545 nan 8.230 nan 0.000 0.519 451 H N -1.100 117.910 119.070 -0.100 0.000 3.971 451 H HA 0.465 5.021 4.556 -0.000 0.000 0.370 451 H C 0.201 175.458 175.328 -0.120 0.000 1.647 451 H CA -0.824 55.152 56.048 -0.121 0.000 1.211 451 H CB 1.506 31.183 29.762 -0.141 0.000 1.343 451 H HN -0.186 nan 8.280 nan 0.000 0.748 452 K N -0.431 119.966 120.400 -0.005 0.000 2.485 452 K HA 0.110 4.430 4.320 -0.000 0.000 0.200 452 K C 1.482 178.004 176.600 -0.129 0.000 1.352 452 K CA 0.316 56.554 56.287 -0.082 0.000 0.953 452 K CB 0.472 32.897 32.500 -0.125 0.000 1.387 452 K HN 0.204 nan 8.250 nan 0.000 0.512 453 M N 1.425 120.901 119.600 -0.206 0.000 2.446 453 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 453 M C 1.562 177.617 176.300 -0.408 0.000 1.066 453 M CA 1.339 56.449 55.300 -0.317 0.000 1.087 453 M CB -0.271 32.095 32.600 -0.391 0.000 1.406 453 M HN 0.014 nan 8.290 nan 0.000 0.459 454 S N -1.287 114.316 115.700 -0.162 0.000 2.593 454 S HA 0.261 4.731 4.470 -0.000 0.000 0.217 454 S C 0.743 175.346 174.600 0.005 0.000 0.966 454 S CA -0.014 58.113 58.200 -0.121 0.000 0.914 454 S CB -0.171 63.035 63.200 0.009 0.000 0.776 454 S HN 0.467 nan 8.310 nan 0.000 0.523 455 M N 1.903 121.482 119.600 -0.034 0.000 2.032 455 M HA 0.413 4.892 4.480 -0.000 0.000 0.221 455 M C -1.250 175.079 176.300 0.049 0.000 0.941 455 M CA 0.182 55.530 55.300 0.080 0.000 0.895 455 M CB 1.366 33.983 32.600 0.027 0.000 2.146 455 M HN 0.224 nan 8.290 nan 0.000 0.366 456 M N 0.991 120.673 119.600 0.136 0.000 2.849 456 M HA 0.852 5.332 4.480 -0.000 0.000 0.299 456 M C 0.014 176.396 176.300 0.136 0.000 1.223 456 M CA -0.844 54.485 55.300 0.047 0.000 0.856 456 M CB 2.055 34.606 32.600 -0.082 0.000 1.680 456 M HN 0.508 nan 8.290 nan 0.000 0.506 457 A N 0.449 123.254 122.820 -0.026 0.000 2.303 457 A HA 0.648 4.968 4.320 -0.000 0.000 0.320 457 A C -1.119 176.383 177.584 -0.137 0.000 1.192 457 A CA -0.636 51.410 52.037 0.014 0.000 0.821 457 A CB 0.414 19.409 19.000 -0.008 0.000 1.188 457 A HN 0.857 nan 8.150 nan 0.000 0.492 458 H N 1.187 120.253 119.070 -0.007 0.000 2.651 458 H HA 0.420 4.976 4.556 -0.000 0.000 0.353 458 H C -0.421 174.862 175.328 -0.076 0.000 1.178 458 H CA -0.729 55.282 56.048 -0.061 0.000 1.224 458 H CB 1.521 31.194 29.762 -0.149 0.000 1.702 458 H HN 0.664 nan 8.280 nan 0.000 0.550 459 R N 0.817 121.349 120.500 0.054 0.000 2.357 459 R HA 0.286 4.626 4.340 -0.000 0.000 0.296 459 R C -0.221 176.075 176.300 -0.007 0.000 1.052 459 R CA -0.563 55.541 56.100 0.006 0.000 0.988 459 R CB 1.068 31.366 30.300 -0.002 0.000 1.025 459 R HN 0.217 nan 8.270 nan 0.000 0.469 460 V N 2.889 122.791 119.914 -0.020 0.000 3.051 460 V HA 0.153 4.273 4.120 -0.000 0.000 0.306 460 V C 0.436 176.516 176.094 -0.024 0.000 1.083 460 V CA 0.039 62.319 62.300 -0.033 0.000 1.104 460 V CB 0.977 32.794 31.823 -0.010 0.000 1.027 460 V HN 0.627 nan 8.190 nan 0.000 0.483 461 K N 2.232 122.610 120.400 -0.036 0.000 2.729 461 K HA 0.297 4.617 4.320 -0.000 0.000 0.269 461 K C -1.512 175.056 176.600 -0.053 0.000 1.065 461 K CA -0.364 55.903 56.287 -0.032 0.000 1.000 461 K CB 1.821 34.304 32.500 -0.029 0.000 1.283 461 K HN 0.453 nan 8.250 nan 0.000 0.491 462 V N 6.105 125.969 119.914 -0.083 0.000 2.585 462 V HA 0.207 4.327 4.120 -0.000 0.000 0.296 462 V C 0.747 176.759 176.094 -0.137 0.000 1.035 462 V CA 0.066 62.267 62.300 -0.165 0.000 1.084 462 V CB 0.218 31.805 31.823 -0.393 0.000 0.953 462 V HN 0.558 nan 8.190 nan 0.000 0.483 463 I N 3.546 124.046 120.570 -0.116 0.000 3.145 463 I HA 0.602 4.771 4.170 -0.000 0.000 0.313 463 I C -1.927 174.124 176.117 -0.110 0.000 1.122 463 I CA -2.404 58.849 61.300 -0.077 0.000 0.987 463 I CB 2.040 40.028 38.000 -0.019 0.000 1.236 463 I HN 0.295 nan 8.210 nan 0.000 0.453 464 P HA -0.096 nan 4.420 nan 0.000 0.208 464 P C 0.622 177.699 177.300 -0.372 0.000 1.200 464 P CA 1.433 64.358 63.100 -0.292 0.000 0.924 464 P CB -0.144 31.302 31.700 -0.425 0.000 0.774 465 Y N 1.092 121.351 120.300 -0.069 0.000 2.321 465 Y HA 0.025 4.575 4.550 -0.000 0.000 0.434 465 Y C 2.003 177.842 175.900 -0.101 0.000 1.273 465 Y CA 0.724 58.779 58.100 -0.076 0.000 1.962 465 Y CB -1.115 37.304 38.460 -0.068 0.000 1.659 465 Y HN 0.032 nan 8.280 nan 0.000 0.726 466 S N -1.431 114.301 115.700 0.054 0.000 2.581 466 S HA 0.336 4.806 4.470 -0.000 0.000 0.245 466 S C -0.549 173.969 174.600 -0.136 0.000 1.115 466 S CA -0.292 57.864 58.200 -0.074 0.000 1.093 466 S CB -1.101 62.052 63.200 -0.078 0.000 0.853 466 S HN 0.627 nan 8.310 nan 0.000 0.479 467 T N -1.167 113.320 114.554 -0.110 0.000 2.900 467 T HA 0.660 5.010 4.350 -0.000 0.000 0.295 467 T C -0.498 174.149 174.700 -0.088 0.000 1.044 467 T CA -0.797 61.226 62.100 -0.128 0.000 0.995 467 T CB 0.686 69.524 68.868 -0.049 0.000 1.072 467 T HN 0.210 nan 8.240 nan 0.000 0.473 468 F N 1.573 121.534 119.950 0.018 0.000 2.484 468 F HA 0.398 4.925 4.527 -0.000 0.000 0.360 468 F C 1.533 177.318 175.800 -0.025 0.000 1.101 468 F CA -0.602 57.402 58.000 0.005 0.000 1.251 468 F CB 0.780 39.882 39.000 0.169 0.000 1.132 468 F HN 0.253 nan 8.300 nan 0.000 0.570 469 R N 4.052 124.613 120.500 0.103 0.000 2.637 469 R HA 0.755 5.094 4.340 -0.000 0.000 0.291 469 R C -1.418 174.844 176.300 -0.063 0.000 0.963 469 R CA -1.065 55.030 56.100 -0.007 0.000 0.901 469 R CB 2.050 32.324 30.300 -0.042 0.000 1.160 469 R HN 0.549 nan 8.270 nan 0.000 0.457 470 L N -0.896 120.321 121.223 -0.009 0.000 2.415 470 L HA 0.539 4.879 4.340 -0.000 0.000 0.256 470 L C -0.437 176.483 176.870 0.083 0.000 1.010 470 L CA -1.165 53.678 54.840 0.005 0.000 0.826 470 L CB 1.184 43.266 42.059 0.038 0.000 1.405 470 L HN 0.360 nan 8.230 nan 0.000 0.410 471 N N 0.697 119.451 118.700 0.091 0.000 2.492 471 N HA 0.143 4.883 4.740 -0.000 0.000 0.262 471 N C 0.774 176.379 175.510 0.159 0.000 1.202 471 N CA 0.173 53.285 53.050 0.104 0.000 0.926 471 N CB 1.097 39.631 38.487 0.078 0.000 1.078 471 N HN 0.864 nan 8.380 nan 0.000 0.454 472 L N 2.354 123.677 121.223 0.167 0.000 2.079 472 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 472 L C 2.313 179.278 176.870 0.158 0.000 1.081 472 L CA 1.085 56.046 54.840 0.203 0.000 0.752 472 L CB -0.320 41.847 42.059 0.180 0.000 0.896 472 L HN 0.538 nan 8.230 nan 0.000 0.433 473 S N -1.182 114.598 115.700 0.134 0.000 2.469 473 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 473 S C 1.761 176.387 174.600 0.044 0.000 0.998 473 S CA 0.678 58.941 58.200 0.106 0.000 0.957 473 S CB -0.046 63.225 63.200 0.119 0.000 0.764 473 S HN 0.193 nan 8.310 nan 0.000 0.514 474 V N 1.220 121.191 119.914 0.096 0.000 3.573 474 V HA -0.048 4.072 4.120 -0.000 0.000 0.270 474 V C 2.216 178.488 176.094 0.296 0.000 1.221 474 V CA 1.084 63.501 62.300 0.196 0.000 1.163 474 V CB -0.685 31.345 31.823 0.344 0.000 0.847 474 V HN 0.476 nan 8.190 nan 0.000 0.468 475 T N 0.452 115.117 114.554 0.186 0.000 2.665 475 T HA -0.208 4.141 4.350 -0.000 0.000 0.268 475 T C 2.139 176.904 174.700 0.107 0.000 1.035 475 T CA 2.368 64.540 62.100 0.121 0.000 1.151 475 T CB -0.121 68.766 68.868 0.032 0.000 0.862 475 T HN 0.773 nan 8.240 nan 0.000 0.438 476 S N 0.813 116.559 115.700 0.076 0.000 2.414 476 S HA 0.059 4.529 4.470 -0.000 0.000 0.227 476 S C -0.624 174.005 174.600 0.049 0.000 1.022 476 S CA 0.351 58.581 58.200 0.050 0.000 0.958 476 S CB -1.325 61.895 63.200 0.034 0.000 0.797 476 S HN 0.379 nan 8.310 nan 0.000 0.493 477 P HA -0.053 nan 4.420 nan 0.000 0.216 477 P C 0.705 177.959 177.300 -0.078 0.000 1.150 477 P CA 1.185 64.227 63.100 -0.098 0.000 0.837 477 P CB -0.195 31.337 31.700 -0.280 0.000 0.786 478 Y N -1.916 118.409 120.300 0.041 0.000 2.420 478 Y HA 0.051 4.601 4.550 -0.000 0.000 0.292 478 Y C 0.882 176.761 175.900 -0.034 0.000 1.119 478 Y CA 0.621 58.722 58.100 0.003 0.000 1.229 478 Y CB -0.707 37.742 38.460 -0.019 0.000 1.026 478 Y HN -0.065 nan 8.280 nan 0.000 0.554 479 N N -0.430 118.339 118.700 0.115 0.000 2.806 479 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 479 N C -0.986 174.515 175.510 -0.014 0.000 1.081 479 N CA -0.036 53.028 53.050 0.022 0.000 0.680 479 N CB -0.917 37.561 38.487 -0.015 0.000 0.941 479 N HN 0.313 nan 8.380 nan 0.000 0.554 480 A N 0.818 123.616 122.820 -0.037 0.000 2.356 480 A HA 0.736 5.055 4.320 -0.000 0.000 0.323 480 A C -0.431 176.962 177.584 -0.317 0.000 1.119 480 A CA -0.171 51.779 52.037 -0.146 0.000 0.790 480 A CB 1.164 20.078 19.000 -0.143 0.000 1.273 480 A HN 0.523 nan 8.150 nan 0.000 0.452 481 D N -1.353 118.813 120.400 -0.391 0.000 2.636 481 D HA 0.551 5.190 4.640 -0.000 0.000 0.275 481 D C -0.808 175.119 176.300 -0.623 0.000 1.130 481 D CA -0.483 53.183 54.000 -0.556 0.000 1.031 481 D CB 0.614 41.266 40.800 -0.246 0.000 1.451 481 D HN 0.264 nan 8.370 nan 0.000 0.505 482 F N -0.364 119.591 119.950 0.008 0.000 2.850 482 F HA 0.206 4.733 4.527 -0.000 0.000 0.306 482 F C 0.286 176.086 175.800 -0.001 0.000 1.162 482 F CA -0.729 57.274 58.000 0.005 0.000 1.327 482 F CB 0.336 39.340 39.000 0.007 0.000 0.953 482 F HN 0.202 nan 8.300 nan 0.000 0.507 483 D N -0.692 119.762 120.400 0.091 0.000 2.352 483 D HA 0.252 4.891 4.640 -0.000 0.000 0.236 483 D C 1.601 177.932 176.300 0.052 0.000 1.148 483 D CA 0.299 54.335 54.000 0.060 0.000 0.844 483 D CB 0.215 41.026 40.800 0.019 0.000 0.933 483 D HN 0.337 nan 8.370 nan 0.000 0.507 484 G N -0.081 108.767 108.800 0.081 0.000 2.159 484 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.170 484 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.170 484 G C -0.455 174.474 174.900 0.049 0.000 1.007 484 G CA -0.549 44.587 45.100 0.060 0.000 0.672 484 G HN 0.288 nan 8.290 nan 0.000 0.507 485 D N 0.893 121.322 120.400 0.048 0.000 2.400 485 D HA 0.333 4.973 4.640 -0.000 0.000 0.238 485 D C 0.562 176.887 176.300 0.042 0.000 1.157 485 D CA 0.590 54.602 54.000 0.019 0.000 0.889 485 D CB 1.002 41.791 40.800 -0.019 0.000 1.199 485 D HN 0.493 nan 8.370 nan 0.000 0.436 486 E N 0.512 120.722 120.200 0.017 0.000 2.235 486 E HA 0.556 4.906 4.350 -0.000 0.000 0.265 486 E C -0.278 176.312 176.600 -0.018 0.000 0.940 486 E CA -0.646 55.775 56.400 0.035 0.000 0.819 486 E CB 2.052 31.769 29.700 0.028 0.000 1.206 486 E HN 0.254 nan 8.360 nan 0.000 0.409 487 M N 1.413 121.015 119.600 0.003 0.000 2.575 487 M HA 0.367 4.847 4.480 -0.000 0.000 0.284 487 M C -1.370 174.832 176.300 -0.163 0.000 1.253 487 M CA -1.048 54.112 55.300 -0.233 0.000 0.861 487 M CB 2.209 34.428 32.600 -0.635 0.000 1.733 487 M HN 0.337 nan 8.290 nan 0.000 0.462 488 N N 2.142 120.657 118.700 -0.308 0.000 2.400 488 N HA 0.552 5.292 4.740 -0.000 0.000 0.288 488 N C -1.511 173.878 175.510 -0.201 0.000 1.024 488 N CA -0.546 52.393 53.050 -0.186 0.000 0.894 488 N CB 1.868 40.276 38.487 -0.132 0.000 1.173 488 N HN 0.418 nan 8.380 nan 0.000 0.487 489 L N 3.016 124.142 121.223 -0.163 0.000 2.296 489 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 489 L C -0.648 176.164 176.870 -0.096 0.000 1.023 489 L CA -0.341 54.459 54.840 -0.068 0.000 0.812 489 L CB 0.349 42.320 42.059 -0.146 0.000 1.223 489 L HN 0.501 nan 8.230 nan 0.000 0.421 490 H N 4.150 123.277 119.070 0.096 0.000 2.524 490 H HA 0.568 5.124 4.556 -0.000 0.000 0.353 490 H C -1.132 174.258 175.328 0.104 0.000 1.136 490 H CA -0.679 55.434 56.048 0.110 0.000 1.193 490 H CB 2.316 32.133 29.762 0.090 0.000 1.558 490 H HN 0.366 nan 8.280 nan 0.000 0.515 491 V N 5.510 125.573 119.914 0.248 0.000 2.378 491 V HA 0.182 4.302 4.120 -0.000 0.000 0.288 491 V C -1.963 174.193 176.094 0.103 0.000 1.016 491 V CA -1.698 60.692 62.300 0.151 0.000 0.840 491 V CB 1.461 33.373 31.823 0.148 0.000 0.994 491 V HN 0.629 nan 8.190 nan 0.000 0.431 492 P HA 0.062 nan 4.420 nan 0.000 0.267 492 P C -0.408 176.924 177.300 0.053 0.000 1.200 492 P CA 0.114 63.231 63.100 0.029 0.000 0.772 492 P CB 1.386 33.078 31.700 -0.014 0.000 0.855 493 Q N 0.386 120.228 119.800 0.070 0.000 2.214 493 Q HA 0.176 4.516 4.340 -0.000 0.000 0.229 493 Q C 0.049 176.149 176.000 0.166 0.000 0.835 493 Q CA 0.343 56.198 55.803 0.086 0.000 0.953 493 Q CB 0.543 29.193 28.738 -0.147 0.000 1.131 493 Q HN 0.432 nan 8.270 nan 0.000 0.501 494 S N -0.893 114.908 115.700 0.168 0.000 2.751 494 S HA 0.283 4.753 4.470 -0.000 0.000 0.310 494 S C 0.323 175.034 174.600 0.184 0.000 1.128 494 S CA -0.659 57.618 58.200 0.129 0.000 0.931 494 S CB 1.351 64.580 63.200 0.049 0.000 1.177 494 S HN 0.055 nan 8.310 nan 0.000 0.530 495 E N 0.686 120.967 120.200 0.135 0.000 2.299 495 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 495 E C 1.332 177.967 176.600 0.058 0.000 0.998 495 E CA 1.043 57.513 56.400 0.117 0.000 0.851 495 E CB 0.014 29.774 29.700 0.100 0.000 0.795 495 E HN 0.642 nan 8.360 nan 0.000 0.492 496 E N -0.791 119.436 120.200 0.044 0.000 2.033 496 E HA -0.084 4.266 4.350 -0.000 0.000 0.189 496 E C 1.907 178.517 176.600 0.015 0.000 0.979 496 E CA 1.474 57.887 56.400 0.022 0.000 0.802 496 E CB -0.120 29.586 29.700 0.010 0.000 0.763 496 E HN 0.155 nan 8.360 nan 0.000 0.449 497 T N 1.207 115.773 114.554 0.020 0.000 2.699 497 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 497 T C 1.843 176.543 174.700 0.001 0.000 1.036 497 T CA 1.382 63.489 62.100 0.012 0.000 1.147 497 T CB -0.197 68.686 68.868 0.024 0.000 0.862 497 T HN 0.104 nan 8.240 nan 0.000 0.446 498 R N 0.608 121.106 120.500 -0.003 0.000 2.080 498 R HA -0.041 4.299 4.340 -0.000 0.000 0.236 498 R C 2.843 179.127 176.300 -0.027 0.000 1.137 498 R CA 1.449 57.525 56.100 -0.039 0.000 0.943 498 R CB -0.546 29.709 30.300 -0.074 0.000 0.846 498 R HN 0.391 nan 8.270 nan 0.000 0.431 499 A N 0.800 123.613 122.820 -0.010 0.000 1.933 499 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 499 A C 1.944 179.525 177.584 -0.004 0.000 1.175 499 A CA 1.512 53.546 52.037 -0.005 0.000 0.628 499 A CB -0.428 18.577 19.000 0.007 0.000 0.814 499 A HN 0.375 nan 8.150 nan 0.000 0.444 500 E N -0.446 119.753 120.200 -0.002 0.000 2.160 500 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 500 E C 1.873 178.467 176.600 -0.011 0.000 0.991 500 E CA 1.014 57.412 56.400 -0.003 0.000 0.810 500 E CB -0.141 29.555 29.700 -0.007 0.000 0.742 500 E HN 0.667 nan 8.360 nan 0.000 0.466 501 L N -0.039 121.175 121.223 -0.016 0.000 2.034 501 L HA -0.111 4.229 4.340 -0.000 0.000 0.203 501 L C 2.701 179.554 176.870 -0.028 0.000 1.074 501 L CA 1.241 56.069 54.840 -0.020 0.000 0.748 501 L CB -0.663 41.387 42.059 -0.015 0.000 0.905 501 L HN 0.214 nan 8.230 nan 0.000 0.439 502 S N -0.735 114.948 115.700 -0.029 0.000 2.382 502 S HA -0.227 4.243 4.470 -0.000 0.000 0.228 502 S C 1.895 176.478 174.600 -0.028 0.000 1.027 502 S CA 0.985 59.166 58.200 -0.033 0.000 0.991 502 S CB -0.281 62.900 63.200 -0.033 0.000 0.823 502 S HN 0.297 nan 8.310 nan 0.000 0.469 503 Q N -0.049 119.741 119.800 -0.017 0.000 2.302 503 Q HA 0.408 4.748 4.340 -0.000 0.000 0.202 503 Q C 1.716 177.710 176.000 -0.010 0.000 0.936 503 Q CA 0.571 56.370 55.803 -0.008 0.000 0.886 503 Q CB -0.194 28.547 28.738 0.006 0.000 0.986 503 Q HN 0.442 nan 8.270 nan 0.000 0.487 504 L N -1.544 119.669 121.223 -0.016 0.000 2.356 504 L HA 0.059 4.399 4.340 -0.000 0.000 0.193 504 L C 1.210 178.053 176.870 -0.045 0.000 1.087 504 L CA 0.948 55.775 54.840 -0.023 0.000 0.817 504 L CB -0.232 41.818 42.059 -0.015 0.000 1.035 504 L HN 0.244 nan 8.230 nan 0.000 0.482 505 C N -0.674 118.597 119.300 -0.048 0.000 2.563 505 C HA 0.782 5.242 4.460 -0.000 0.000 0.307 505 C C 1.032 175.973 174.990 -0.082 0.000 1.371 505 C CA -1.529 57.450 59.018 -0.065 0.000 1.772 505 C CB -1.808 25.899 27.740 -0.055 0.000 2.283 505 C HN 0.278 nan 8.230 nan 0.000 0.570 506 A N 0.959 123.728 122.820 -0.084 0.000 2.445 506 A HA 0.447 4.767 4.320 -0.000 0.000 0.242 506 A C 1.321 178.812 177.584 -0.156 0.000 1.075 506 A CA 0.033 52.003 52.037 -0.112 0.000 0.777 506 A CB 0.373 19.320 19.000 -0.088 0.000 1.013 506 A HN 0.413 nan 8.150 nan 0.000 0.493 507 V N 2.654 122.428 119.914 -0.232 0.000 2.380 507 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 507 V C -0.565 175.416 176.094 -0.189 0.000 1.063 507 V CA 2.690 64.837 62.300 -0.255 0.000 1.055 507 V CB -1.407 30.197 31.823 -0.366 0.000 0.657 507 V HN 0.804 nan 8.190 nan 0.000 0.455 508 P HA -0.046 nan 4.420 nan 0.000 0.220 508 P C 1.692 178.935 177.300 -0.095 0.000 1.152 508 P CA 1.023 64.058 63.100 -0.109 0.000 0.812 508 P CB -0.042 31.617 31.700 -0.069 0.000 0.792 509 L N -0.747 120.419 121.223 -0.095 0.000 2.633 509 L HA -0.084 4.256 4.340 -0.000 0.000 0.235 509 L C 1.772 178.574 176.870 -0.113 0.000 1.163 509 L CA 0.924 55.711 54.840 -0.088 0.000 0.859 509 L CB -0.500 41.514 42.059 -0.074 0.000 0.973 509 L HN 0.048 nan 8.230 nan 0.000 0.451 510 Q N -0.875 118.844 119.800 -0.136 0.000 2.246 510 Q HA 0.184 4.524 4.340 -0.000 0.000 0.222 510 Q C 2.141 178.043 176.000 -0.164 0.000 0.851 510 Q CA 0.137 55.844 55.803 -0.159 0.000 0.945 510 Q CB 0.760 29.388 28.738 -0.183 0.000 1.122 510 Q HN 0.530 nan 8.270 nan 0.000 0.508 511 I N 0.484 120.969 120.570 -0.141 0.000 2.236 511 I HA -0.203 3.966 4.170 -0.000 0.000 0.249 511 I C 0.659 176.705 176.117 -0.119 0.000 1.102 511 I CA 1.134 62.367 61.300 -0.111 0.000 1.365 511 I CB 0.031 38.008 38.000 -0.039 0.000 1.051 511 I HN -0.163 nan 8.210 nan 0.000 0.420 512 V N 1.850 121.670 119.914 -0.157 0.000 2.304 512 V HA 0.181 4.300 4.120 -0.000 0.000 0.278 512 V C 0.296 176.267 176.094 -0.205 0.000 1.018 512 V CA -0.707 61.462 62.300 -0.219 0.000 0.814 512 V CB 0.958 32.611 31.823 -0.283 0.000 1.021 512 V HN 0.309 nan 8.190 nan 0.000 0.440 513 S N 6.162 121.749 115.700 -0.189 0.000 2.580 513 S HA 0.374 4.844 4.470 -0.000 0.000 0.274 513 S C -1.300 173.227 174.600 -0.121 0.000 1.329 513 S CA -0.970 57.127 58.200 -0.172 0.000 1.036 513 S CB 1.331 64.409 63.200 -0.203 0.000 0.919 513 S HN 0.588 nan 8.310 nan 0.000 0.515 514 P HA -0.006 nan 4.420 nan 0.000 0.249 514 P C 0.839 178.238 177.300 0.164 0.000 1.229 514 P CA 0.340 63.457 63.100 0.028 0.000 0.788 514 P CB 0.050 31.784 31.700 0.056 0.000 1.072 515 Q N 0.669 120.491 119.800 0.036 0.000 2.084 515 Q HA -0.030 4.310 4.340 -0.000 0.000 0.194 515 Q C 2.074 178.071 176.000 -0.004 0.000 0.969 515 Q CA 1.508 57.340 55.803 0.047 0.000 0.829 515 Q CB -1.028 27.625 28.738 -0.141 0.000 0.904 515 Q HN 0.106 nan 8.270 nan 0.000 0.464 516 S N 0.725 116.385 115.700 -0.067 0.000 2.527 516 S HA -0.015 4.455 4.470 -0.000 0.000 0.222 516 S C 0.650 175.247 174.600 -0.005 0.000 0.985 516 S CA 0.445 58.593 58.200 -0.087 0.000 0.921 516 S CB -0.371 62.810 63.200 -0.031 0.000 0.772 516 S HN 0.727 nan 8.310 nan 0.000 0.529 517 N N 1.332 120.038 118.700 0.008 0.000 2.776 517 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 517 N C -0.422 175.137 175.510 0.080 0.000 1.111 517 N CA 1.597 54.686 53.050 0.066 0.000 0.711 517 N CB -1.963 36.614 38.487 0.150 0.000 1.065 517 N HN 0.920 nan 8.380 nan 0.000 0.556 518 K N -2.882 117.494 120.400 -0.041 0.000 2.499 518 K HA 0.595 4.915 4.320 -0.000 0.000 0.284 518 K C -3.264 173.177 176.600 -0.265 0.000 1.039 518 K CA -1.665 54.525 56.287 -0.161 0.000 0.873 518 K CB 0.857 33.400 32.500 0.072 0.000 1.545 518 K HN -0.082 nan 8.250 nan 0.000 0.402 519 P HA 0.013 nan 4.420 nan 0.000 0.271 519 P C 0.191 177.448 177.300 -0.072 0.000 1.226 519 P CA -0.208 62.798 63.100 -0.157 0.000 0.765 519 P CB 1.028 32.689 31.700 -0.065 0.000 0.835 520 C N 4.385 123.634 119.300 -0.086 0.000 2.539 520 C HA 0.223 4.683 4.460 -0.000 0.000 0.268 520 C C 0.710 175.677 174.990 -0.039 0.000 1.395 520 C CA 0.202 59.167 59.018 -0.089 0.000 1.757 520 C CB -1.336 26.308 27.740 -0.159 0.000 1.851 520 C HN 0.481 nan 8.230 nan 0.000 0.545 521 M N -0.177 119.439 119.600 0.027 0.000 2.378 521 M HA 0.540 5.020 4.480 -0.000 0.000 0.289 521 M C -0.082 176.400 176.300 0.304 0.000 1.136 521 M CA -0.072 55.284 55.300 0.093 0.000 0.917 521 M CB 1.908 34.473 32.600 -0.059 0.000 1.669 521 M HN 0.121 nan 8.290 nan 0.000 0.461 522 G N 1.843 110.821 108.800 0.297 0.000 3.222 522 G HA2 0.827 4.787 3.960 -0.000 0.000 0.263 522 G HA3 0.827 4.787 3.960 -0.000 0.000 0.263 522 G C -1.295 173.779 174.900 0.291 0.000 1.312 522 G CA -0.783 44.480 45.100 0.271 0.000 0.934 522 G HN 0.623 nan 8.290 nan 0.000 0.577 523 I N 0.846 121.470 120.570 0.090 0.000 2.385 523 I HA 0.448 4.618 4.170 -0.000 0.000 0.294 523 I C -0.039 176.111 176.117 0.056 0.000 0.988 523 I CA -0.427 60.916 61.300 0.071 0.000 1.265 523 I CB 1.464 39.442 38.000 -0.037 0.000 1.388 523 I HN 0.140 nan 8.210 nan 0.000 0.480 524 V N 4.104 124.059 119.914 0.069 0.000 3.105 524 V HA 0.457 4.576 4.120 -0.000 0.000 0.311 524 V C 0.320 176.432 176.094 0.030 0.000 1.282 524 V CA -0.771 61.556 62.300 0.045 0.000 1.065 524 V CB 1.102 32.961 31.823 0.059 0.000 1.136 524 V HN 0.836 nan 8.190 nan 0.000 0.469 525 Q N 0.003 119.817 119.800 0.023 0.000 2.289 525 Q HA -0.364 3.976 4.340 -0.000 0.000 0.451 525 Q C 1.315 177.311 176.000 -0.008 0.000 0.683 525 Q CA 2.398 58.212 55.803 0.018 0.000 0.903 525 Q CB -1.282 27.486 28.738 0.049 0.000 3.084 525 Q HN 1.003 nan 8.270 nan 0.000 0.946 526 D N -0.094 120.312 120.400 0.011 0.000 2.133 526 D HA -0.123 4.517 4.640 -0.000 0.000 0.192 526 D C 1.964 178.255 176.300 -0.015 0.000 1.001 526 D CA 2.356 56.355 54.000 -0.003 0.000 0.844 526 D CB -0.528 40.286 40.800 0.023 0.000 0.944 526 D HN 0.523 nan 8.370 nan 0.000 0.447 527 T N 0.507 115.063 114.554 0.002 0.000 2.833 527 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 527 T C 1.832 176.513 174.700 -0.032 0.000 1.054 527 T CA 0.558 62.656 62.100 -0.004 0.000 1.135 527 T CB -0.259 68.619 68.868 0.016 0.000 0.869 527 T HN 0.037 nan 8.240 nan 0.000 0.466 528 L N 0.766 121.968 121.223 -0.036 0.000 2.072 528 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 528 L C 2.654 179.467 176.870 -0.095 0.000 1.079 528 L CA 1.268 56.074 54.840 -0.058 0.000 0.752 528 L CB -1.041 40.993 42.059 -0.041 0.000 0.906 528 L HN 0.398 nan 8.230 nan 0.000 0.436 529 C N -0.258 118.966 119.300 -0.126 0.000 2.429 529 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 529 C C 2.805 177.693 174.990 -0.170 0.000 1.262 529 C CA 0.895 59.781 59.018 -0.221 0.000 1.733 529 C CB -1.580 25.930 27.740 -0.383 0.000 2.010 529 C HN 0.680 nan 8.230 nan 0.000 0.483 530 G N -0.138 108.614 108.800 -0.081 0.000 2.403 530 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.216 530 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.216 530 G C 1.606 176.432 174.900 -0.123 0.000 1.154 530 G CA 0.821 45.931 45.100 0.017 0.000 0.784 530 G HN 0.623 nan 8.290 nan 0.000 0.538 531 I N 0.002 120.495 120.570 -0.129 0.000 2.567 531 I HA -0.074 4.096 4.170 -0.000 0.000 0.257 531 I C 2.721 178.718 176.117 -0.201 0.000 1.184 531 I CA 0.814 62.007 61.300 -0.177 0.000 1.451 531 I CB -0.012 37.910 38.000 -0.129 0.000 1.089 531 I HN 0.148 nan 8.210 nan 0.000 0.441 532 R N 0.894 121.295 120.500 -0.165 0.000 2.052 532 R HA -0.134 4.206 4.340 -0.000 0.000 0.226 532 R C 2.261 178.458 176.300 -0.172 0.000 1.145 532 R CA 1.058 57.072 56.100 -0.144 0.000 0.952 532 R CB -0.160 30.075 30.300 -0.108 0.000 0.847 532 R HN 0.225 nan 8.270 nan 0.000 0.431 533 K N 0.741 121.046 120.400 -0.160 0.000 2.015 533 K HA -0.211 4.109 4.320 -0.000 0.000 0.216 533 K C 2.124 178.486 176.600 -0.397 0.000 1.052 533 K CA 1.710 57.915 56.287 -0.136 0.000 0.937 533 K CB -0.549 31.998 32.500 0.078 0.000 0.719 533 K HN 0.143 nan 8.250 nan 0.000 0.446 534 L N 1.357 122.082 121.223 -0.831 0.000 2.263 534 L HA -0.172 4.168 4.340 -0.000 0.000 0.216 534 L C 1.807 178.321 176.870 -0.594 0.000 1.111 534 L CA 1.854 55.986 54.840 -1.180 0.000 0.773 534 L CB -0.457 40.858 42.059 -1.241 0.000 0.906 534 L HN 0.109 nan 8.230 nan 0.000 0.439 535 T N -0.260 114.065 114.554 -0.382 0.000 3.065 535 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 535 T C 0.836 175.424 174.700 -0.186 0.000 1.099 535 T CA -0.354 61.594 62.100 -0.253 0.000 1.063 535 T CB -0.227 68.525 68.868 -0.194 0.000 0.948 535 T HN 0.139 nan 8.240 nan 0.000 0.506 536 L N 1.363 122.487 121.223 -0.164 0.000 2.499 536 L HA 0.166 4.505 4.340 -0.000 0.000 0.281 536 L C 1.891 178.679 176.870 -0.136 0.000 1.234 536 L CA -0.183 54.595 54.840 -0.102 0.000 0.839 536 L CB 0.421 42.448 42.059 -0.054 0.000 1.104 536 L HN 0.022 nan 8.230 nan 0.000 0.500 537 R N 0.486 120.934 120.500 -0.087 0.000 2.096 537 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 537 R C 1.522 177.734 176.300 -0.148 0.000 1.127 537 R CA 1.278 57.313 56.100 -0.108 0.000 0.968 537 R CB -0.231 30.066 30.300 -0.004 0.000 0.861 537 R HN 0.697 nan 8.270 nan 0.000 0.440 538 D N 0.669 121.064 120.400 -0.008 0.000 2.182 538 D HA -0.084 4.555 4.640 -0.000 0.000 0.201 538 D C -0.036 176.317 176.300 0.088 0.000 0.986 538 D CA 0.960 55.040 54.000 0.133 0.000 0.847 538 D CB 0.010 40.880 40.800 0.118 0.000 0.942 538 D HN 0.101 nan 8.370 nan 0.000 0.467 539 T N 1.106 115.577 114.554 -0.140 0.000 2.769 539 T HA 0.193 4.542 4.350 -0.000 0.000 0.293 539 T C -0.120 174.327 174.700 -0.421 0.000 0.931 539 T CA 0.093 62.114 62.100 -0.131 0.000 1.139 539 T CB -0.004 68.771 68.868 -0.155 0.000 0.881 539 T HN -0.147 nan 8.240 nan 0.000 0.532 540 F N 2.508 122.537 119.950 0.131 0.000 2.561 540 F HA 0.682 5.209 4.527 -0.000 0.000 0.321 540 F C -0.186 175.738 175.800 0.206 0.000 1.065 540 F CA -1.365 56.725 58.000 0.150 0.000 0.934 540 F CB 1.420 40.494 39.000 0.123 0.000 1.215 540 F HN 0.262 nan 8.300 nan 0.000 0.471 541 I N 1.319 122.138 120.570 0.415 0.000 2.466 541 I HA 0.275 4.444 4.170 -0.000 0.000 0.289 541 I C -0.549 175.812 176.117 0.406 0.000 1.026 541 I CA -0.869 60.641 61.300 0.350 0.000 1.078 541 I CB 1.899 40.060 38.000 0.269 0.000 1.249 541 I HN 0.578 nan 8.210 nan 0.000 0.429 542 E N 5.190 125.567 120.200 0.295 0.000 2.250 542 E HA 0.336 4.686 4.350 -0.000 0.000 0.269 542 E C 0.848 177.547 176.600 0.167 0.000 1.018 542 E CA -0.797 55.796 56.400 0.321 0.000 0.873 542 E CB 1.396 31.231 29.700 0.225 0.000 1.134 542 E HN 0.397 nan 8.360 nan 0.000 0.403 543 L N 2.093 123.435 121.223 0.198 0.000 2.077 543 L HA -0.378 3.962 4.340 -0.000 0.000 0.231 543 L C 2.032 178.862 176.870 -0.067 0.000 1.100 543 L CA 2.944 57.758 54.840 -0.043 0.000 0.819 543 L CB -0.850 41.287 42.059 0.130 0.000 0.913 543 L HN 0.940 nan 8.230 nan 0.000 0.446 544 D N -1.447 118.959 120.400 0.009 0.000 2.126 544 D HA -0.317 4.323 4.640 -0.000 0.000 0.190 544 D C 1.927 178.230 176.300 0.006 0.000 1.001 544 D CA 2.269 56.272 54.000 0.004 0.000 0.841 544 D CB -0.661 40.146 40.800 0.012 0.000 0.949 544 D HN 0.661 nan 8.370 nan 0.000 0.446 545 Q N -0.119 119.689 119.800 0.013 0.000 2.137 545 Q HA -0.004 4.335 4.340 -0.000 0.000 0.198 545 Q C 2.667 178.693 176.000 0.042 0.000 0.960 545 Q CA 0.515 56.354 55.803 0.059 0.000 0.847 545 Q CB 0.253 29.020 28.738 0.048 0.000 0.915 545 Q HN 0.190 nan 8.270 nan 0.000 0.448 546 V N 1.525 121.373 119.914 -0.111 0.000 2.324 546 V HA -0.309 3.811 4.120 -0.000 0.000 0.250 546 V C 2.228 178.159 176.094 -0.272 0.000 1.060 546 V CA 1.621 63.742 62.300 -0.300 0.000 1.042 546 V CB -0.553 30.768 31.823 -0.838 0.000 0.650 546 V HN 0.396 nan 8.190 nan 0.000 0.450 547 L N -0.068 121.023 121.223 -0.220 0.000 2.093 547 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 547 L C 2.372 179.193 176.870 -0.082 0.000 1.085 547 L CA 1.410 56.146 54.840 -0.173 0.000 0.755 547 L CB -0.767 41.229 42.059 -0.105 0.000 0.904 547 L HN 0.398 nan 8.230 nan 0.000 0.435 548 N N -0.238 118.499 118.700 0.061 0.000 2.270 548 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 548 N C 1.888 177.532 175.510 0.224 0.000 1.016 548 N CA 1.086 54.245 53.050 0.182 0.000 0.870 548 N CB -0.029 38.699 38.487 0.402 0.000 0.979 548 N HN 0.324 nan 8.380 nan 0.000 0.431 549 M N 0.168 119.918 119.600 0.251 0.000 2.081 549 M HA -0.037 4.443 4.480 -0.000 0.000 0.261 549 M C 2.071 178.339 176.300 -0.054 0.000 1.075 549 M CA 1.029 56.464 55.300 0.224 0.000 1.133 549 M CB -0.668 32.048 32.600 0.193 0.000 1.330 549 M HN 0.048 nan 8.290 nan 0.000 0.414 550 L N -0.764 120.265 121.223 -0.324 0.000 2.021 550 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 550 L C 2.698 179.094 176.870 -0.790 0.000 1.074 550 L CA 1.777 56.100 54.840 -0.861 0.000 0.760 550 L CB -0.988 40.268 42.059 -1.337 0.000 0.889 550 L HN 0.264 nan 8.230 nan 0.000 0.433 551 Y N -1.030 118.944 120.300 -0.543 0.000 2.293 551 Y HA -0.243 4.307 4.550 -0.000 0.000 0.291 551 Y C 2.117 177.920 175.900 -0.161 0.000 1.137 551 Y CA 0.908 58.864 58.100 -0.240 0.000 1.202 551 Y CB -0.485 37.858 38.460 -0.195 0.000 0.990 551 Y HN 0.087 nan 8.280 nan 0.000 0.537 552 W N -0.024 121.110 121.300 -0.278 0.000 2.468 552 W HA -0.017 4.643 4.660 -0.000 0.000 0.262 552 W C 0.291 176.675 176.519 -0.226 0.000 1.241 552 W CA 0.710 57.869 57.345 -0.309 0.000 1.232 552 W CB -0.061 29.203 29.460 -0.325 0.000 1.124 552 W HN -0.318 nan 8.180 nan 0.000 0.597 553 V N 3.595 123.529 119.914 0.033 0.000 2.368 553 V HA 0.023 4.143 4.120 -0.000 0.000 0.266 553 V C -0.795 175.334 176.094 0.058 0.000 1.045 553 V CA -1.242 61.094 62.300 0.060 0.000 0.899 553 V CB 0.761 32.614 31.823 0.051 0.000 1.006 553 V HN -0.126 nan 8.190 nan 0.000 0.470 554 P HA -0.138 nan 4.420 nan 0.000 0.215 554 P C 0.726 178.062 177.300 0.061 0.000 1.157 554 P CA 1.173 64.267 63.100 -0.009 0.000 0.863 554 P CB 0.419 32.108 31.700 -0.018 0.000 0.787 555 D N -1.467 118.985 120.400 0.086 0.000 2.358 555 D HA -0.057 4.583 4.640 -0.000 0.000 0.241 555 D C 0.400 176.786 176.300 0.144 0.000 1.094 555 D CA 0.117 54.168 54.000 0.086 0.000 0.907 555 D CB -0.514 40.327 40.800 0.068 0.000 0.893 555 D HN 0.219 nan 8.370 nan 0.000 0.528 556 W N 3.308 124.601 121.300 -0.012 0.000 2.210 556 W HA -0.012 4.648 4.660 -0.000 0.000 0.330 556 W C 0.939 177.467 176.519 0.015 0.000 1.334 556 W CA -0.846 56.503 57.345 0.008 0.000 1.227 556 W CB 0.557 30.027 29.460 0.016 0.000 1.178 556 W HN -0.039 nan 8.180 nan 0.000 0.560 557 D N 3.959 124.031 120.400 -0.547 0.000 2.413 557 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 557 D C 1.405 177.128 176.300 -0.963 0.000 1.171 557 D CA 0.401 54.059 54.000 -0.569 0.000 0.839 557 D CB -0.578 40.045 40.800 -0.296 0.000 0.950 557 D HN 0.792 nan 8.370 nan 0.000 0.499 558 G N 0.285 107.899 108.800 -1.977 0.000 2.337 558 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.290 558 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.290 558 G C 0.193 174.512 174.900 -0.968 0.000 1.003 558 G CA 0.386 44.298 45.100 -1.978 0.000 0.825 558 G HN 0.409 nan 8.290 nan 0.000 0.509 559 V N 1.911 121.429 119.914 -0.659 0.000 2.293 559 V HA 0.343 4.463 4.120 -0.000 0.000 0.275 559 V C 0.927 177.228 176.094 0.346 0.000 1.021 559 V CA -0.897 61.378 62.300 -0.042 0.000 0.815 559 V CB 1.072 32.867 31.823 -0.047 0.000 1.025 559 V HN 0.344 nan 8.190 nan 0.000 0.448 560 I N 8.492 129.305 120.570 0.404 0.000 2.662 560 I HA 0.113 4.283 4.170 -0.000 0.000 0.285 560 I C -1.305 175.023 176.117 0.352 0.000 1.161 560 I CA -0.974 60.571 61.300 0.407 0.000 1.415 560 I CB 0.373 38.563 38.000 0.316 0.000 1.385 560 I HN 0.423 nan 8.210 nan 0.000 0.552 561 P HA 0.072 nan 4.420 nan 0.000 0.272 561 P C -0.392 177.179 177.300 0.451 0.000 1.223 561 P CA -0.307 63.008 63.100 0.358 0.000 0.784 561 P CB 0.459 32.366 31.700 0.344 0.000 0.923 562 T N 3.804 118.512 114.554 0.256 0.000 2.888 562 T HA 0.183 4.533 4.350 -0.000 0.000 0.301 562 T C -2.067 172.614 174.700 -0.032 0.000 1.001 562 T CA -0.595 61.587 62.100 0.137 0.000 1.147 562 T CB -0.632 68.272 68.868 0.060 0.000 0.931 562 T HN 0.368 nan 8.240 nan 0.000 0.541 563 P HA 0.114 nan 4.420 nan 0.000 0.266 563 P C 0.300 177.318 177.300 -0.469 0.000 1.193 563 P CA -0.135 62.315 63.100 -1.084 0.000 0.770 563 P CB 0.386 31.349 31.700 -1.228 0.000 0.836 564 A N 3.504 126.108 122.820 -0.361 0.000 2.014 564 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 564 A C 0.903 178.429 177.584 -0.097 0.000 1.163 564 A CA 1.119 53.088 52.037 -0.113 0.000 0.652 564 A CB -0.510 18.492 19.000 0.004 0.000 0.808 564 A HN 0.514 nan 8.150 nan 0.000 0.449 565 I N -0.112 120.356 120.570 -0.169 0.000 2.418 565 I HA 0.326 4.495 4.170 -0.000 0.000 0.287 565 I C 0.017 176.013 176.117 -0.202 0.000 1.008 565 I CA -0.208 61.014 61.300 -0.131 0.000 1.104 565 I CB 1.942 39.887 38.000 -0.092 0.000 1.264 565 I HN 0.116 nan 8.210 nan 0.000 0.438 566 I N 5.019 125.505 120.570 -0.141 0.000 4.227 566 I HA 0.022 4.192 4.170 -0.000 0.000 0.334 566 I C 1.420 177.488 176.117 -0.082 0.000 1.341 566 I CA -0.171 61.052 61.300 -0.129 0.000 1.123 566 I CB -0.047 37.893 38.000 -0.100 0.000 1.097 566 I HN 0.587 nan 8.210 nan 0.000 0.399 567 K N 2.961 123.318 120.400 -0.072 0.000 2.879 567 K HA 0.047 4.367 4.320 -0.000 0.000 0.324 567 K C -1.077 175.496 176.600 -0.046 0.000 1.081 567 K CA -0.186 56.069 56.287 -0.053 0.000 1.003 567 K CB -1.790 30.678 32.500 -0.053 0.000 0.988 567 K HN -0.203 nan 8.250 nan 0.000 0.446 568 P HA -0.249 nan 4.420 nan 0.000 0.219 568 P C -0.331 176.954 177.300 -0.026 0.000 1.151 568 P CA 1.776 64.858 63.100 -0.030 0.000 0.850 568 P CB 0.100 31.781 31.700 -0.032 0.000 0.784 569 K N -0.199 120.178 120.400 -0.039 0.000 2.581 569 K HA 0.324 4.644 4.320 -0.000 0.000 0.249 569 K C -2.940 173.631 176.600 -0.048 0.000 0.966 569 K CA -2.368 53.905 56.287 -0.023 0.000 0.811 569 K CB 2.422 34.913 32.500 -0.014 0.000 1.223 569 K HN -0.212 nan 8.250 nan 0.000 0.438 570 P HA 0.119 nan 4.420 nan 0.000 0.276 570 P C -1.138 176.085 177.300 -0.128 0.000 1.264 570 P CA -0.391 62.609 63.100 -0.167 0.000 0.769 570 P CB 0.673 32.295 31.700 -0.130 0.000 0.840 571 L N 4.609 125.711 121.223 -0.200 0.000 2.354 571 L HA 0.582 4.922 4.340 -0.000 0.000 0.264 571 L C -0.370 176.505 176.870 0.009 0.000 1.008 571 L CA -0.572 54.322 54.840 0.090 0.000 0.819 571 L CB 1.730 43.867 42.059 0.130 0.000 1.339 571 L HN 0.415 nan 8.230 nan 0.000 0.420 572 W N 0.932 122.361 121.300 0.215 0.000 2.639 572 W HA 0.545 5.204 4.660 -0.000 0.000 0.347 572 W C 0.108 176.707 176.519 0.134 0.000 1.067 572 W CA -0.695 56.746 57.345 0.160 0.000 1.218 572 W CB 2.234 31.756 29.460 0.103 0.000 1.393 572 W HN 0.506 nan 8.180 nan 0.000 0.557 573 S N 0.230 116.058 115.700 0.214 0.000 2.585 573 S HA 0.364 4.834 4.470 -0.000 0.000 0.277 573 S C 1.105 175.670 174.600 -0.058 0.000 1.241 573 S CA 0.202 58.352 58.200 -0.082 0.000 1.041 573 S CB 1.595 64.719 63.200 -0.127 0.000 0.987 573 S HN 0.640 nan 8.310 nan 0.000 0.512 574 G N 2.679 111.361 108.800 -0.196 0.000 2.469 574 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.220 574 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.220 574 G C 1.296 176.092 174.900 -0.172 0.000 1.136 574 G CA 0.890 45.857 45.100 -0.223 0.000 0.759 574 G HN 0.810 nan 8.290 nan 0.000 0.562 575 K N -0.136 120.177 120.400 -0.145 0.000 2.026 575 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 575 K C 2.711 179.288 176.600 -0.038 0.000 1.048 575 K CA 1.054 57.283 56.287 -0.098 0.000 0.929 575 K CB -0.202 32.249 32.500 -0.080 0.000 0.713 575 K HN 0.216 nan 8.250 nan 0.000 0.439 576 Q N 0.620 120.426 119.800 0.011 0.000 2.028 576 Q HA -0.255 4.085 4.340 -0.000 0.000 0.213 576 Q C 2.325 178.374 176.000 0.083 0.000 1.017 576 Q CA 2.472 58.329 55.803 0.091 0.000 0.875 576 Q CB -0.460 28.405 28.738 0.212 0.000 0.962 576 Q HN 0.552 nan 8.270 nan 0.000 0.413 577 I N -2.079 118.525 120.570 0.058 0.000 2.500 577 I HA -0.129 4.041 4.170 -0.000 0.000 0.252 577 I C 2.246 178.351 176.117 -0.020 0.000 1.142 577 I CA 0.621 61.927 61.300 0.010 0.000 1.451 577 I CB -0.400 37.577 38.000 -0.039 0.000 1.093 577 I HN 0.072 nan 8.210 nan 0.000 0.430 578 L N 1.723 122.917 121.223 -0.048 0.000 2.261 578 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 578 L C 2.238 179.082 176.870 -0.043 0.000 1.114 578 L CA 1.775 56.575 54.840 -0.065 0.000 0.777 578 L CB -0.891 41.102 42.059 -0.110 0.000 0.910 578 L HN 0.276 nan 8.230 nan 0.000 0.440 579 S N -1.523 114.163 115.700 -0.023 0.000 2.453 579 S HA -0.069 4.401 4.470 -0.000 0.000 0.231 579 S C 1.963 176.574 174.600 0.019 0.000 1.005 579 S CA 0.980 59.175 58.200 -0.009 0.000 0.949 579 S CB -0.306 62.898 63.200 0.007 0.000 0.774 579 S HN 0.360 nan 8.310 nan 0.000 0.510 580 V N 2.092 122.027 119.914 0.035 0.000 2.407 580 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 580 V C 2.670 178.802 176.094 0.064 0.000 1.055 580 V CA 1.692 64.039 62.300 0.078 0.000 1.049 580 V CB -1.121 30.731 31.823 0.049 0.000 0.662 580 V HN 0.559 nan 8.190 nan 0.000 0.455 581 A N -0.322 122.512 122.820 0.022 0.000 1.933 581 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 581 A C 1.235 178.820 177.584 0.002 0.000 1.175 581 A CA 0.863 52.908 52.037 0.014 0.000 0.628 581 A CB -0.470 18.522 19.000 -0.013 0.000 0.814 581 A HN 0.516 nan 8.150 nan 0.000 0.444 582 I N 2.263 122.824 120.570 -0.014 0.000 2.471 582 I HA 0.150 4.320 4.170 -0.000 0.000 0.286 582 I C -1.929 174.177 176.117 -0.018 0.000 1.079 582 I CA -2.011 59.269 61.300 -0.032 0.000 1.398 582 I CB 0.886 38.852 38.000 -0.055 0.000 1.403 582 I HN 0.177 nan 8.210 nan 0.000 0.530 583 P HA 0.039 nan 4.420 nan 0.000 0.271 583 P C -0.846 176.429 177.300 -0.042 0.000 1.233 583 P CA -0.334 62.756 63.100 -0.017 0.000 0.789 583 P CB 0.573 32.263 31.700 -0.016 0.000 0.951 584 N N -0.174 118.506 118.700 -0.034 0.000 2.444 584 N HA 0.200 4.940 4.740 -0.000 0.000 0.255 584 N C 1.264 176.713 175.510 -0.102 0.000 1.255 584 N CA 0.885 53.902 53.050 -0.055 0.000 0.933 584 N CB -0.207 38.266 38.487 -0.024 0.000 1.143 584 N HN 0.770 nan 8.380 nan 0.000 0.453 585 G N 0.334 109.036 108.800 -0.164 0.000 2.221 585 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.265 585 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.265 585 G C -0.284 174.344 174.900 -0.453 0.000 1.041 585 G CA -0.218 44.724 45.100 -0.265 0.000 0.807 585 G HN 0.447 nan 8.290 nan 0.000 0.502 586 I N 1.711 121.986 120.570 -0.492 0.000 2.362 586 I HA 0.371 4.540 4.170 -0.000 0.000 0.289 586 I C -0.056 175.765 176.117 -0.493 0.000 0.994 586 I CA -0.758 60.319 61.300 -0.371 0.000 1.158 586 I CB 1.155 39.045 38.000 -0.184 0.000 1.315 586 I HN 0.117 nan 8.210 nan 0.000 0.451 587 H N 6.585 125.634 119.070 -0.034 0.000 2.466 587 H HA 0.610 5.166 4.556 -0.000 0.000 0.338 587 H C -0.968 174.315 175.328 -0.074 0.000 1.091 587 H CA -0.784 55.233 56.048 -0.051 0.000 1.207 587 H CB 3.054 32.797 29.762 -0.031 0.000 1.466 587 H HN 0.355 nan 8.280 nan 0.000 0.493 588 L N 2.339 123.557 121.223 -0.007 0.000 2.445 588 L HA 0.326 4.666 4.340 -0.000 0.000 0.262 588 L C -1.195 175.575 176.870 -0.166 0.000 0.974 588 L CA -0.348 54.442 54.840 -0.083 0.000 0.822 588 L CB 2.387 44.379 42.059 -0.112 0.000 1.339 588 L HN 0.617 nan 8.230 nan 0.000 0.409 589 Q N 3.222 122.908 119.800 -0.190 0.000 2.372 589 Q HA 0.530 4.870 4.340 -0.000 0.000 0.273 589 Q C -0.622 175.187 176.000 -0.318 0.000 1.078 589 Q CA -0.691 54.916 55.803 -0.327 0.000 0.806 589 Q CB 3.312 31.887 28.738 -0.273 0.000 1.332 589 Q HN 0.673 nan 8.270 nan 0.000 0.435 590 R N 1.340 121.562 120.500 -0.463 0.000 1.889 590 R HA 0.422 4.762 4.340 -0.000 0.000 0.134 590 R C -0.881 175.354 176.300 -0.108 0.000 2.065 590 R CA 0.129 56.078 56.100 -0.251 0.000 1.705 590 R CB 0.776 30.962 30.300 -0.190 0.000 1.387 590 R HN 0.632 nan 8.270 nan 0.000 0.484 591 F N 1.840 121.823 119.950 0.055 0.000 2.214 591 F HA -0.194 4.333 4.527 -0.000 0.000 0.500 591 F C -0.860 174.965 175.800 0.041 0.000 1.258 591 F CA -0.320 57.725 58.000 0.075 0.000 1.604 591 F CB -0.644 38.391 39.000 0.059 0.000 2.535 591 F HN 0.365 nan 8.300 nan 0.000 0.735 592 D N 2.046 122.580 120.400 0.223 0.000 2.478 592 D HA 0.146 4.785 4.640 -0.000 0.000 0.269 592 D C 1.384 177.747 176.300 0.104 0.000 1.232 592 D CA -0.223 53.851 54.000 0.123 0.000 1.059 592 D CB 0.454 41.305 40.800 0.085 0.000 1.104 592 D HN 0.510 nan 8.370 nan 0.000 0.566 593 E N 0.153 120.388 120.200 0.058 0.000 2.196 593 E HA -0.228 4.122 4.350 -0.000 0.000 0.222 593 E C 1.347 177.965 176.600 0.030 0.000 1.072 593 E CA 1.963 58.383 56.400 0.034 0.000 0.902 593 E CB -0.130 29.582 29.700 0.020 0.000 0.780 593 E HN 0.556 nan 8.360 nan 0.000 0.467 594 G N -0.145 108.680 108.800 0.041 0.000 3.774 594 G HA2 0.090 4.050 3.960 -0.000 0.000 0.287 594 G HA3 0.090 4.050 3.960 -0.000 0.000 0.287 594 G C -0.186 174.741 174.900 0.045 0.000 1.030 594 G CA -0.295 44.821 45.100 0.027 0.000 0.824 594 G HN 0.011 nan 8.290 nan 0.000 0.518 595 T N 1.318 115.938 114.554 0.110 0.000 2.940 595 T HA 0.400 4.750 4.350 -0.000 0.000 0.309 595 T C 0.376 175.160 174.700 0.139 0.000 1.056 595 T CA 0.636 62.859 62.100 0.205 0.000 1.137 595 T CB 0.979 70.123 68.868 0.460 0.000 0.976 595 T HN 0.086 nan 8.240 nan 0.000 0.547 596 T N 2.484 117.096 114.554 0.097 0.000 4.099 596 T HA 0.230 4.580 4.350 -0.000 0.000 0.216 596 T C 0.672 175.357 174.700 -0.026 0.000 0.945 596 T CA -0.769 61.339 62.100 0.013 0.000 1.581 596 T CB -0.510 68.327 68.868 -0.052 0.000 0.752 596 T HN 0.585 nan 8.240 nan 0.000 0.623 597 L N 0.445 121.726 121.223 0.097 0.000 4.132 597 L HA -0.239 4.101 4.340 -0.000 0.000 0.451 597 L C 0.925 177.624 176.870 -0.285 0.000 1.099 597 L CA 1.093 55.915 54.840 -0.030 0.000 0.977 597 L CB -1.001 41.145 42.059 0.145 0.000 1.852 597 L HN 0.613 nan 8.230 nan 0.000 1.069 598 L N -1.298 119.671 121.223 -0.423 0.000 4.114 598 L HA 0.079 4.419 4.340 -0.000 0.000 0.398 598 L C 0.900 177.573 176.870 -0.327 0.000 1.159 598 L CA 0.598 55.252 54.840 -0.311 0.000 1.399 598 L CB 0.558 42.529 42.059 -0.147 0.000 1.605 598 L HN 0.360 nan 8.230 nan 0.000 0.629 599 S N 1.227 116.672 115.700 -0.426 0.000 3.636 599 S HA -0.127 4.343 4.470 -0.000 0.000 0.142 599 S C -1.062 173.466 174.600 -0.121 0.000 0.328 599 S CA 0.101 58.160 58.200 -0.234 0.000 1.415 599 S CB -1.120 61.939 63.200 -0.234 0.000 1.171 599 S HN 0.389 nan 8.310 nan 0.000 0.260 600 P HA -0.155 nan 4.420 nan 0.000 0.218 600 P C 0.730 178.020 177.300 -0.017 0.000 1.146 600 P CA 1.303 64.378 63.100 -0.042 0.000 0.813 600 P CB 0.074 31.755 31.700 -0.031 0.000 0.778 601 K N -1.301 119.095 120.400 -0.006 0.000 2.358 601 K HA 0.044 4.364 4.320 -0.000 0.000 0.197 601 K C 0.174 176.790 176.600 0.026 0.000 1.025 601 K CA -0.071 56.224 56.287 0.013 0.000 1.104 601 K CB -0.068 32.444 32.500 0.020 0.000 0.855 601 K HN -0.126 nan 8.250 nan 0.000 0.531 602 D N 1.372 121.789 120.400 0.028 0.000 2.835 602 D HA -0.150 4.490 4.640 -0.000 0.000 0.230 602 D C -0.637 175.726 176.300 0.105 0.000 1.130 602 D CA 0.442 54.483 54.000 0.070 0.000 0.738 602 D CB -1.139 39.689 40.800 0.047 0.000 1.090 602 D HN 0.176 nan 8.370 nan 0.000 0.433 603 N N -0.268 118.501 118.700 0.116 0.000 2.366 603 N HA 0.563 5.303 4.740 -0.000 0.000 0.277 603 N C 1.294 176.934 175.510 0.216 0.000 1.275 603 N CA 0.872 53.999 53.050 0.128 0.000 0.964 603 N CB 0.256 38.814 38.487 0.117 0.000 1.167 603 N HN 0.440 nan 8.380 nan 0.000 0.568 604 G N -0.067 108.832 108.800 0.164 0.000 2.633 604 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.263 604 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.263 604 G C -0.534 174.358 174.900 -0.013 0.000 1.310 604 G CA 0.495 45.670 45.100 0.125 0.000 0.914 604 G HN 0.638 nan 8.290 nan 0.000 0.569 605 M N -1.282 118.178 119.600 -0.234 0.000 2.325 605 M HA 0.734 5.214 4.480 -0.000 0.000 0.285 605 M C -1.850 174.051 176.300 -0.664 0.000 1.119 605 M CA -0.733 54.338 55.300 -0.382 0.000 0.959 605 M CB 1.815 34.273 32.600 -0.235 0.000 1.737 605 M HN 1.368 nan 8.290 nan 0.000 0.486 606 L N 6.532 127.260 121.223 -0.825 0.000 2.518 606 L HA 0.721 5.060 4.340 -0.000 0.000 0.262 606 L C -2.001 174.623 176.870 -0.411 0.000 0.982 606 L CA 0.016 54.397 54.840 -0.766 0.000 0.873 606 L CB 1.131 42.404 42.059 -1.310 0.000 1.198 606 L HN 0.765 nan 8.230 nan 0.000 0.427 607 I N 5.737 126.157 120.570 -0.249 0.000 2.433 607 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 607 I C -0.649 175.438 176.117 -0.050 0.000 1.001 607 I CA -0.566 60.650 61.300 -0.142 0.000 1.119 607 I CB 1.867 39.786 38.000 -0.133 0.000 1.289 607 I HN 0.460 nan 8.210 nan 0.000 0.438 608 I N 5.311 125.879 120.570 -0.003 0.000 2.499 608 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 608 I C -0.188 175.963 176.117 0.056 0.000 1.048 608 I CA -0.366 61.011 61.300 0.128 0.000 1.062 608 I CB 1.785 39.850 38.000 0.109 0.000 1.238 608 I HN 0.632 nan 8.210 nan 0.000 0.426 609 D N 5.127 125.526 120.400 -0.003 0.000 2.751 609 D HA -0.187 4.452 4.640 -0.000 0.000 0.233 609 D C 1.035 177.281 176.300 -0.090 0.000 1.149 609 D CA 1.631 55.589 54.000 -0.070 0.000 0.682 609 D CB -0.641 40.192 40.800 0.054 0.000 1.068 609 D HN 1.158 nan 8.370 nan 0.000 0.429 610 G N -0.324 108.391 108.800 -0.141 0.000 2.198 610 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 610 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 610 G C -0.069 174.803 174.900 -0.046 0.000 1.025 610 G CA 0.649 45.694 45.100 -0.093 0.000 0.769 610 G HN 0.467 nan 8.290 nan 0.000 0.507 611 Q N -0.490 119.288 119.800 -0.037 0.000 2.310 611 Q HA 0.482 4.822 4.340 -0.000 0.000 0.270 611 Q C 0.177 176.155 176.000 -0.037 0.000 1.025 611 Q CA -0.803 54.991 55.803 -0.015 0.000 0.772 611 Q CB 2.216 30.963 28.738 0.015 0.000 1.253 611 Q HN 0.548 nan 8.270 nan 0.000 0.450 612 I N 3.050 123.592 120.570 -0.048 0.000 2.556 612 I HA 0.052 4.222 4.170 -0.000 0.000 0.284 612 I C 0.255 176.342 176.117 -0.050 0.000 1.114 612 I CA 0.297 61.549 61.300 -0.079 0.000 1.418 612 I CB 0.531 38.479 38.000 -0.086 0.000 1.394 612 I HN 0.711 nan 8.210 nan 0.000 0.552 613 I N 7.905 128.427 120.570 -0.080 0.000 3.790 613 I HA 0.192 4.362 4.170 -0.000 0.000 0.305 613 I C -0.568 175.632 176.117 0.140 0.000 1.253 613 I CA 0.186 61.494 61.300 0.014 0.000 1.355 613 I CB 0.250 38.266 38.000 0.026 0.000 1.137 613 I HN 0.623 nan 8.210 nan 0.000 0.435 614 F N -0.423 119.505 119.950 -0.037 0.000 2.725 614 F HA 0.670 5.197 4.527 -0.000 0.000 0.311 614 F C -0.664 175.105 175.800 -0.052 0.000 1.121 614 F CA -0.934 57.044 58.000 -0.036 0.000 0.978 614 F CB 0.226 39.217 39.000 -0.016 0.000 1.274 614 F HN -0.065 nan 8.300 nan 0.000 0.440 615 G N 1.406 110.351 108.800 0.242 0.000 2.885 615 G HA2 0.386 4.346 3.960 -0.000 0.000 0.685 615 G HA3 0.386 4.346 3.960 -0.000 0.000 0.685 615 G C -1.662 173.242 174.900 0.006 0.000 1.216 615 G CA -0.635 44.535 45.100 0.117 0.000 0.790 615 G HN 1.408 nan 8.290 nan 0.000 0.631 616 V N 1.748 121.664 119.914 0.002 0.000 2.508 616 V HA 0.340 4.459 4.120 -0.000 0.000 0.281 616 V C 1.236 177.292 176.094 -0.064 0.000 1.041 616 V CA -0.585 61.691 62.300 -0.041 0.000 1.016 616 V CB 1.480 33.283 31.823 -0.032 0.000 0.984 616 V HN 0.843 nan 8.190 nan 0.000 0.478 617 V N 6.127 125.985 119.914 -0.094 0.000 2.370 617 V HA 0.271 4.391 4.120 -0.000 0.000 0.257 617 V C 0.320 176.358 176.094 -0.094 0.000 1.064 617 V CA -0.058 62.181 62.300 -0.101 0.000 0.975 617 V CB 0.045 31.795 31.823 -0.122 0.000 1.067 617 V HN 1.159 nan 8.190 nan 0.000 0.485 618 E N 3.373 123.528 120.200 -0.075 0.000 2.476 618 E HA 0.438 4.788 4.350 -0.000 0.000 0.246 618 E C 1.009 177.575 176.600 -0.057 0.000 0.872 618 E CA -0.948 55.413 56.400 -0.066 0.000 0.867 618 E CB 0.594 30.264 29.700 -0.050 0.000 1.533 618 E HN 0.055 nan 8.360 nan 0.000 0.399 619 K N 0.271 120.645 120.400 -0.044 0.000 2.097 619 K HA -0.307 4.013 4.320 -0.000 0.000 0.214 619 K C 1.558 178.139 176.600 -0.031 0.000 1.052 619 K CA 2.322 58.589 56.287 -0.033 0.000 0.932 619 K CB -0.189 32.300 32.500 -0.019 0.000 0.716 619 K HN 0.426 nan 8.250 nan 0.000 0.455 620 K N -0.706 119.676 120.400 -0.030 0.000 2.103 620 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 620 K C 2.055 178.630 176.600 -0.043 0.000 1.048 620 K CA 1.970 58.240 56.287 -0.029 0.000 0.930 620 K CB -0.108 32.376 32.500 -0.026 0.000 0.716 620 K HN 0.260 nan 8.250 nan 0.000 0.444 621 T N -0.043 114.476 114.554 -0.060 0.000 2.937 621 T HA -0.026 4.324 4.350 -0.000 0.000 0.260 621 T C 1.664 176.313 174.700 -0.086 0.000 1.051 621 T CA 0.736 62.789 62.100 -0.079 0.000 1.141 621 T CB 0.331 69.141 68.868 -0.097 0.000 0.879 621 T HN 0.035 nan 8.240 nan 0.000 0.459 622 V N 0.917 120.780 119.914 -0.086 0.000 3.432 622 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 622 V C 1.060 177.102 176.094 -0.087 0.000 1.464 622 V CA 0.049 62.282 62.300 -0.112 0.000 1.046 622 V CB -0.226 31.519 31.823 -0.130 0.000 0.887 622 V HN 0.445 nan 8.190 nan 0.000 0.441 623 G N 0.615 109.387 108.800 -0.046 0.000 2.494 623 G HA2 0.249 4.209 3.960 -0.000 0.000 0.270 623 G HA3 0.249 4.209 3.960 -0.000 0.000 0.270 623 G C 0.460 175.365 174.900 0.008 0.000 1.423 623 G CA 0.393 45.486 45.100 -0.011 0.000 1.055 623 G HN 0.751 nan 8.290 nan 0.000 0.536 624 S N -0.427 115.292 115.700 0.032 0.000 3.266 624 S HA 0.435 4.905 4.470 -0.000 0.000 0.209 624 S C 0.438 175.064 174.600 0.042 0.000 1.409 624 S CA -0.095 58.133 58.200 0.045 0.000 1.179 624 S CB -0.443 62.787 63.200 0.049 0.000 1.218 624 S HN 0.809 nan 8.310 nan 0.000 0.514 625 S N 0.812 116.538 115.700 0.043 0.000 2.687 625 S HA 0.417 4.887 4.470 -0.000 0.000 0.283 625 S C 0.980 175.649 174.600 0.114 0.000 1.170 625 S CA -0.949 57.285 58.200 0.056 0.000 1.008 625 S CB 0.766 63.981 63.200 0.025 0.000 1.026 625 S HN 0.351 nan 8.310 nan 0.000 0.541 626 N N 1.167 119.937 118.700 0.117 0.000 2.104 626 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 626 N C 1.473 177.009 175.510 0.042 0.000 1.024 626 N CA 1.644 54.802 53.050 0.180 0.000 0.853 626 N CB -0.565 37.969 38.487 0.078 0.000 1.008 626 N HN 0.879 nan 8.380 nan 0.000 0.424 627 G N -0.458 108.325 108.800 -0.028 0.000 3.126 627 G HA2 0.213 4.173 3.960 -0.000 0.000 0.224 627 G HA3 0.213 4.173 3.960 -0.000 0.000 0.224 627 G C 0.666 175.529 174.900 -0.062 0.000 1.142 627 G CA 0.137 45.175 45.100 -0.104 0.000 0.759 627 G HN 0.345 nan 8.290 nan 0.000 0.550 628 G N -0.052 108.747 108.800 -0.001 0.000 2.760 628 G HA2 0.063 4.023 3.960 -0.000 0.000 0.236 628 G HA3 0.063 4.023 3.960 -0.000 0.000 0.236 628 G C 1.108 175.996 174.900 -0.020 0.000 1.243 628 G CA -0.438 44.657 45.100 -0.009 0.000 0.850 628 G HN 0.193 nan 8.290 nan 0.000 0.595 629 L N 0.842 122.028 121.223 -0.061 0.000 2.081 629 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 629 L C 2.689 179.518 176.870 -0.068 0.000 1.080 629 L CA 1.299 56.090 54.840 -0.081 0.000 0.754 629 L CB -0.216 41.773 42.059 -0.118 0.000 0.893 629 L HN 0.630 nan 8.230 nan 0.000 0.433 630 I N -1.502 119.025 120.570 -0.072 0.000 2.162 630 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 630 I C 2.575 178.727 176.117 0.057 0.000 1.076 630 I CA 0.945 62.211 61.300 -0.057 0.000 1.353 630 I CB -0.638 37.309 38.000 -0.089 0.000 1.063 630 I HN 0.335 nan 8.210 nan 0.000 0.408 631 H N 1.304 120.359 119.070 -0.025 0.000 2.265 631 H HA -0.194 4.362 4.556 -0.000 0.000 0.293 631 H C 2.222 177.539 175.328 -0.018 0.000 1.089 631 H CA 2.397 58.436 56.048 -0.014 0.000 1.244 631 H CB -0.433 29.320 29.762 -0.015 0.000 1.355 631 H HN 0.068 nan 8.280 nan 0.000 0.485 632 V N 0.289 120.288 119.914 0.141 0.000 2.215 632 V HA -0.285 3.834 4.120 -0.000 0.000 0.246 632 V C 3.039 179.163 176.094 0.050 0.000 1.047 632 V CA 1.916 64.248 62.300 0.052 0.000 0.999 632 V CB -1.122 30.694 31.823 -0.011 0.000 0.635 632 V HN 0.278 nan 8.190 nan 0.000 0.450 633 V N 0.103 120.026 119.914 0.016 0.000 2.313 633 V HA -0.377 3.743 4.120 -0.000 0.000 0.253 633 V C 2.542 178.655 176.094 0.032 0.000 1.070 633 V CA 2.811 65.116 62.300 0.007 0.000 1.057 633 V CB -1.276 30.537 31.823 -0.017 0.000 0.653 633 V HN 0.709 nan 8.190 nan 0.000 0.450 634 T N -0.739 113.845 114.554 0.050 0.000 2.674 634 T HA -0.184 4.165 4.350 -0.000 0.000 0.265 634 T C 2.083 176.811 174.700 0.046 0.000 1.039 634 T CA 1.260 63.388 62.100 0.046 0.000 1.150 634 T CB -0.269 68.619 68.868 0.033 0.000 0.864 634 T HN 0.258 nan 8.240 nan 0.000 0.427 635 R N 0.546 121.090 120.500 0.073 0.000 2.189 635 R HA 0.103 4.442 4.340 -0.000 0.000 0.218 635 R C 2.187 178.525 176.300 0.063 0.000 1.074 635 R CA 0.908 57.052 56.100 0.074 0.000 0.991 635 R CB -0.178 30.188 30.300 0.109 0.000 0.883 635 R HN 0.407 nan 8.270 nan 0.000 0.457 636 E N 0.095 120.327 120.200 0.053 0.000 2.110 636 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 636 E C 1.265 177.890 176.600 0.043 0.000 0.950 636 E CA 0.876 57.305 56.400 0.049 0.000 0.840 636 E CB 0.310 30.034 29.700 0.039 0.000 0.809 636 E HN -0.109 nan 8.360 nan 0.000 0.465 637 K N -0.303 120.116 120.400 0.031 0.000 2.367 637 K HA 0.301 4.621 4.320 -0.000 0.000 0.194 637 K C 0.229 176.847 176.600 0.029 0.000 1.027 637 K CA 0.678 56.981 56.287 0.026 0.000 1.075 637 K CB 1.140 33.649 32.500 0.014 0.000 0.845 637 K HN 0.227 nan 8.250 nan 0.000 0.529 638 G N 1.875 110.694 108.800 0.033 0.000 2.570 638 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 638 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 638 G C -2.433 172.483 174.900 0.027 0.000 1.257 638 G CA -0.552 44.565 45.100 0.029 0.000 0.846 638 G HN -0.188 nan 8.290 nan 0.000 0.627 639 P HA -0.093 nan 4.420 nan 0.000 0.217 639 P C 1.529 178.840 177.300 0.019 0.000 1.151 639 P CA 1.385 64.492 63.100 0.012 0.000 0.828 639 P CB 0.155 31.847 31.700 -0.013 0.000 0.788 640 Q N -0.262 119.546 119.800 0.014 0.000 2.124 640 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 640 Q C 2.282 178.302 176.000 0.033 0.000 0.977 640 Q CA 1.265 57.077 55.803 0.016 0.000 0.850 640 Q CB -0.474 28.269 28.738 0.009 0.000 0.901 640 Q HN 0.096 nan 8.270 nan 0.000 0.429 641 V N -0.159 119.776 119.914 0.035 0.000 2.515 641 V HA -0.259 3.860 4.120 -0.000 0.000 0.250 641 V C 2.228 178.359 176.094 0.062 0.000 1.058 641 V CA 1.294 63.618 62.300 0.040 0.000 1.064 641 V CB -0.336 31.504 31.823 0.029 0.000 0.675 641 V HN 0.537 nan 8.190 nan 0.000 0.461 642 C N 0.170 119.515 119.300 0.076 0.000 2.450 642 C HA 0.033 4.493 4.460 -0.000 0.000 0.279 642 C C 3.048 178.184 174.990 0.243 0.000 1.335 642 C CA 0.541 59.636 59.018 0.128 0.000 1.749 642 C CB -1.138 26.681 27.740 0.132 0.000 1.963 642 C HN 0.587 nan 8.230 nan 0.000 0.501 643 A N 0.600 123.515 122.820 0.159 0.000 1.865 643 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 643 A C 2.214 179.912 177.584 0.189 0.000 1.191 643 A CA 1.924 54.041 52.037 0.134 0.000 0.623 643 A CB -0.640 18.375 19.000 0.025 0.000 0.826 643 A HN 0.723 nan 8.150 nan 0.000 0.444 644 K N -0.893 119.582 120.400 0.125 0.000 2.209 644 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 644 K C 1.829 178.507 176.600 0.130 0.000 1.048 644 K CA 1.103 57.457 56.287 0.111 0.000 0.940 644 K CB -0.340 32.202 32.500 0.070 0.000 0.729 644 K HN 0.397 nan 8.250 nan 0.000 0.451 645 L N 0.641 121.942 121.223 0.131 0.000 2.042 645 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 645 L C 1.752 178.645 176.870 0.039 0.000 1.076 645 L CA 1.718 56.586 54.840 0.046 0.000 0.749 645 L CB -0.522 41.516 42.059 -0.035 0.000 0.893 645 L HN 0.008 nan 8.230 nan 0.000 0.432 646 F N 0.006 119.960 119.950 0.007 0.000 2.069 646 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 646 F C 2.521 178.330 175.800 0.015 0.000 1.113 646 F CA 1.641 59.647 58.000 0.010 0.000 1.214 646 F CB -1.526 37.483 39.000 0.016 0.000 0.978 646 F HN 0.186 nan 8.300 nan 0.000 0.474 647 G N 0.176 109.118 108.800 0.238 0.000 2.514 647 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 647 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 647 G C 1.633 176.592 174.900 0.099 0.000 1.198 647 G CA 1.292 46.477 45.100 0.141 0.000 0.780 647 G HN 0.265 nan 8.290 nan 0.000 0.565 648 N N 0.786 119.537 118.700 0.084 0.000 2.104 648 N HA -0.089 4.650 4.740 -0.000 0.000 0.190 648 N C 2.238 177.770 175.510 0.036 0.000 1.024 648 N CA 1.066 54.154 53.050 0.063 0.000 0.853 648 N CB -0.351 38.168 38.487 0.053 0.000 1.008 648 N HN 0.403 nan 8.380 nan 0.000 0.424 649 I N 1.521 122.099 120.570 0.013 0.000 2.113 649 I HA -0.288 3.881 4.170 -0.000 0.000 0.238 649 I C 2.003 178.117 176.117 -0.005 0.000 1.070 649 I CA 1.239 62.528 61.300 -0.018 0.000 1.332 649 I CB -0.423 37.538 38.000 -0.065 0.000 1.044 649 I HN 0.162 nan 8.210 nan 0.000 0.402 650 Q N 0.469 120.281 119.800 0.020 0.000 2.443 650 Q HA -0.211 4.128 4.340 -0.000 0.000 0.213 650 Q C 1.979 177.962 176.000 -0.028 0.000 0.982 650 Q CA 1.120 56.931 55.803 0.015 0.000 0.894 650 Q CB -0.105 28.666 28.738 0.055 0.000 0.947 650 Q HN 0.491 nan 8.270 nan 0.000 0.480 651 K N -0.207 120.179 120.400 -0.023 0.000 2.099 651 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 651 K C 2.028 178.543 176.600 -0.142 0.000 1.047 651 K CA 0.808 57.029 56.287 -0.109 0.000 0.963 651 K CB 0.332 32.866 32.500 0.057 0.000 0.759 651 K HN -0.005 nan 8.250 nan 0.000 0.451 652 V N 0.760 120.668 119.914 -0.011 0.000 2.244 652 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 652 V C 2.239 178.391 176.094 0.097 0.000 1.042 652 V CA 1.405 63.742 62.300 0.062 0.000 1.006 652 V CB -0.479 31.371 31.823 0.045 0.000 0.641 652 V HN 0.031 nan 8.190 nan 0.000 0.446 653 V N 0.818 120.755 119.914 0.037 0.000 2.407 653 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 653 V C 2.363 178.514 176.094 0.094 0.000 1.055 653 V CA 2.103 64.434 62.300 0.052 0.000 1.049 653 V CB -0.837 30.975 31.823 -0.019 0.000 0.662 653 V HN 0.563 nan 8.190 nan 0.000 0.455 654 N N -0.828 117.881 118.700 0.015 0.000 2.354 654 N HA -0.085 4.654 4.740 -0.000 0.000 0.179 654 N C 1.634 177.109 175.510 -0.060 0.000 1.021 654 N CA 1.032 54.067 53.050 -0.024 0.000 0.887 654 N CB -0.125 38.319 38.487 -0.071 0.000 0.974 654 N HN 0.539 nan 8.380 nan 0.000 0.437 655 F N -0.138 119.648 119.950 -0.273 0.000 2.163 655 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 655 F C 2.192 177.886 175.800 -0.177 0.000 1.094 655 F CA 0.753 58.529 58.000 -0.374 0.000 1.290 655 F CB -0.671 37.994 39.000 -0.558 0.000 1.017 655 F HN 0.042 nan 8.300 nan 0.000 0.483 656 W N 0.606 121.751 121.300 -0.259 0.000 2.358 656 W HA -0.185 4.475 4.660 -0.000 0.000 0.303 656 W C 1.978 178.355 176.519 -0.236 0.000 1.208 656 W CA 1.710 58.888 57.345 -0.278 0.000 1.274 656 W CB -0.436 28.951 29.460 -0.122 0.000 1.138 656 W HN 0.112 nan 8.180 nan 0.000 0.515 657 L N 0.702 121.960 121.223 0.058 0.000 2.201 657 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 657 L C 2.188 178.883 176.870 -0.292 0.000 1.105 657 L CA 1.581 56.387 54.840 -0.057 0.000 0.775 657 L CB -1.199 40.933 42.059 0.121 0.000 0.913 657 L HN 0.183 nan 8.230 nan 0.000 0.440 658 L N -0.807 120.183 121.223 -0.388 0.000 2.056 658 L HA -0.144 4.195 4.340 -0.000 0.000 0.207 658 L C 1.762 178.300 176.870 -0.553 0.000 1.078 658 L CA 1.772 56.333 54.840 -0.465 0.000 0.749 658 L CB -0.912 40.804 42.059 -0.571 0.000 0.901 658 L HN 0.373 nan 8.230 nan 0.000 0.433 659 H N -1.162 117.617 119.070 -0.485 0.000 2.610 659 H HA 0.218 4.774 4.556 -0.000 0.000 0.302 659 H C 0.847 175.847 175.328 -0.547 0.000 1.063 659 H CA 0.565 56.326 56.048 -0.479 0.000 1.159 659 H CB -0.142 29.289 29.762 -0.551 0.000 1.427 659 H HN 0.548 nan 8.280 nan 0.000 0.553 660 N N -0.437 117.967 118.700 -0.493 0.000 2.160 660 N HA 0.125 4.865 4.740 -0.000 0.000 0.242 660 N C 0.376 175.737 175.510 -0.248 0.000 1.204 660 N CA 0.689 53.440 53.050 -0.498 0.000 0.813 660 N CB 1.181 39.028 38.487 -1.066 0.000 1.384 660 N HN 0.292 nan 8.380 nan 0.000 0.476 661 G N 0.383 109.061 108.800 -0.204 0.000 2.881 661 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.681 661 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.681 661 G C -0.907 174.039 174.900 0.077 0.000 1.567 661 G CA 0.072 45.135 45.100 -0.061 0.000 1.013 661 G HN 0.381 nan 8.290 nan 0.000 0.580 662 F N 0.960 120.885 119.950 -0.042 0.000 2.631 662 F HA 0.813 5.340 4.527 -0.000 0.000 0.308 662 F C -0.010 175.787 175.800 -0.006 0.000 1.097 662 F CA 0.143 58.140 58.000 -0.004 0.000 0.952 662 F CB 2.086 41.100 39.000 0.023 0.000 1.307 662 F HN 1.305 nan 8.300 nan 0.000 0.450 663 S N 1.625 116.638 115.700 -1.145 0.000 2.727 663 S HA 0.856 5.326 4.470 -0.000 0.000 0.278 663 S C -1.778 172.393 174.600 -0.716 0.000 1.186 663 S CA -0.346 57.466 58.200 -0.646 0.000 0.836 663 S CB 1.801 64.810 63.200 -0.318 0.000 1.186 663 S HN 0.834 nan 8.310 nan 0.000 0.499 664 T N 0.812 115.174 114.554 -0.320 0.000 3.435 664 T HA 0.651 5.001 4.350 -0.000 0.000 0.344 664 T C -0.247 174.393 174.700 -0.100 0.000 1.211 664 T CA -0.124 61.862 62.100 -0.189 0.000 1.104 664 T CB 1.134 69.949 68.868 -0.089 0.000 1.196 664 T HN 0.999 nan 8.240 nan 0.000 0.471 665 G N 0.928 109.682 108.800 -0.075 0.000 3.176 665 G HA2 0.664 4.623 3.960 -0.000 0.000 0.272 665 G HA3 0.664 4.623 3.960 -0.000 0.000 0.272 665 G C 0.989 175.875 174.900 -0.024 0.000 1.349 665 G CA -0.938 44.134 45.100 -0.045 0.000 0.953 665 G HN 0.728 nan 8.290 nan 0.000 0.559 666 I N -0.308 120.253 120.570 -0.014 0.000 2.353 666 I HA 0.060 4.229 4.170 -0.000 0.000 0.248 666 I C 2.719 178.836 176.117 -0.000 0.000 1.119 666 I CA 1.106 62.406 61.300 -0.001 0.000 1.417 666 I CB -0.769 37.233 38.000 0.003 0.000 1.078 666 I HN 0.515 nan 8.210 nan 0.000 0.421 667 G N 1.775 110.571 108.800 -0.007 0.000 2.545 667 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.222 667 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.222 667 G C 1.261 176.162 174.900 0.001 0.000 1.126 667 G CA 1.471 46.569 45.100 -0.004 0.000 0.754 667 G HN 0.405 nan 8.290 nan 0.000 0.583 668 D N -0.022 120.377 120.400 -0.003 0.000 2.310 668 D HA -0.076 4.564 4.640 -0.000 0.000 0.212 668 D C 2.592 178.902 176.300 0.017 0.000 0.965 668 D CA 1.580 55.584 54.000 0.007 0.000 0.879 668 D CB -0.181 40.620 40.800 0.002 0.000 0.921 668 D HN 0.548 nan 8.370 nan 0.000 0.510 669 T N -1.821 112.742 114.554 0.016 0.000 3.086 669 T HA 0.235 4.584 4.350 -0.000 0.000 0.250 669 T C 0.937 175.648 174.700 0.018 0.000 1.074 669 T CA -0.275 61.837 62.100 0.021 0.000 0.988 669 T CB 0.057 68.942 68.868 0.028 0.000 0.988 669 T HN -0.054 nan 8.240 nan 0.000 0.530 670 I N 2.089 122.669 120.570 0.016 0.000 2.353 670 I HA 0.622 4.792 4.170 -0.000 0.000 0.293 670 I C 0.453 176.579 176.117 0.016 0.000 0.992 670 I CA -1.140 60.169 61.300 0.015 0.000 1.268 670 I CB 1.384 39.392 38.000 0.013 0.000 1.387 670 I HN 0.161 nan 8.210 nan 0.000 0.478 671 A N 4.674 127.503 122.820 0.015 0.000 2.306 671 A HA 0.348 4.668 4.320 -0.000 0.000 0.330 671 A C -0.308 177.286 177.584 0.018 0.000 1.146 671 A CA -0.609 51.438 52.037 0.018 0.000 0.827 671 A CB 0.715 19.724 19.000 0.017 0.000 1.178 671 A HN 0.693 nan 8.150 nan 0.000 0.490 672 D N 0.741 121.153 120.400 0.020 0.000 2.474 672 D HA 0.087 4.727 4.640 -0.000 0.000 0.232 672 D C 1.642 177.952 176.300 0.018 0.000 1.177 672 D CA 1.303 55.315 54.000 0.019 0.000 0.876 672 D CB 0.993 41.805 40.800 0.021 0.000 1.208 672 D HN 0.541 nan 8.370 nan 0.000 0.464 673 G N 2.773 111.582 108.800 0.017 0.000 2.459 673 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 673 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 673 G C -0.792 174.119 174.900 0.017 0.000 1.183 673 G CA 0.603 45.713 45.100 0.016 0.000 0.776 673 G HN 0.516 nan 8.290 nan 0.000 0.552 674 P HA -0.069 nan 4.420 nan 0.000 0.218 674 P C 1.662 178.974 177.300 0.020 0.000 1.149 674 P CA 1.589 64.700 63.100 0.018 0.000 0.817 674 P CB -0.296 31.415 31.700 0.017 0.000 0.785 675 T N -0.160 114.407 114.554 0.022 0.000 2.821 675 T HA -0.069 4.280 4.350 -0.000 0.000 0.267 675 T C 1.931 176.645 174.700 0.025 0.000 1.046 675 T CA 1.191 63.306 62.100 0.025 0.000 1.139 675 T CB -0.475 68.409 68.868 0.026 0.000 0.871 675 T HN -0.034 nan 8.240 nan 0.000 0.454 676 M N 0.778 120.391 119.600 0.022 0.000 2.175 676 M HA 0.073 4.553 4.480 -0.000 0.000 0.264 676 M C 2.281 178.595 176.300 0.023 0.000 1.063 676 M CA 1.198 56.510 55.300 0.021 0.000 1.119 676 M CB -0.966 31.645 32.600 0.018 0.000 1.377 676 M HN 0.164 nan 8.290 nan 0.000 0.415 677 R N 0.255 120.768 120.500 0.022 0.000 2.062 677 R HA -0.162 4.177 4.340 -0.000 0.000 0.231 677 R C 2.088 178.402 176.300 0.023 0.000 1.136 677 R CA 1.759 57.872 56.100 0.022 0.000 0.948 677 R CB -0.225 30.086 30.300 0.019 0.000 0.845 677 R HN 0.399 nan 8.270 nan 0.000 0.430 678 E N -0.007 120.207 120.200 0.023 0.000 2.267 678 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 678 E C 1.696 178.314 176.600 0.030 0.000 0.998 678 E CA 1.050 57.465 56.400 0.024 0.000 0.830 678 E CB 0.041 29.756 29.700 0.025 0.000 0.751 678 E HN 0.442 nan 8.360 nan 0.000 0.491 679 I N -0.236 120.353 120.570 0.032 0.000 2.494 679 I HA -0.146 4.024 4.170 -0.000 0.000 0.250 679 I C 2.071 178.214 176.117 0.043 0.000 1.112 679 I CA 0.854 62.177 61.300 0.039 0.000 1.438 679 I CB -0.023 37.997 38.000 0.034 0.000 1.111 679 I HN 0.057 nan 8.210 nan 0.000 0.431 680 T N 0.948 115.524 114.554 0.038 0.000 2.929 680 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 680 T C 1.556 176.280 174.700 0.040 0.000 1.085 680 T CA 1.452 63.577 62.100 0.042 0.000 1.125 680 T CB -0.273 68.616 68.868 0.036 0.000 0.874 680 T HN 0.596 nan 8.240 nan 0.000 0.494 681 E N 0.477 120.695 120.200 0.031 0.000 2.166 681 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 681 E C 1.984 178.595 176.600 0.018 0.000 0.967 681 E CA 0.659 57.072 56.400 0.022 0.000 0.840 681 E CB -0.709 29.000 29.700 0.015 0.000 0.795 681 E HN 0.149 nan 8.360 nan 0.000 0.470 682 T N 1.669 116.237 114.554 0.025 0.000 2.760 682 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 682 T C 1.804 176.519 174.700 0.025 0.000 1.047 682 T CA 1.508 63.622 62.100 0.023 0.000 1.139 682 T CB -0.213 68.679 68.868 0.040 0.000 0.855 682 T HN 0.189 nan 8.240 nan 0.000 0.471 683 I N 0.739 121.337 120.570 0.047 0.000 2.400 683 I HA 0.002 4.172 4.170 -0.000 0.000 0.248 683 I C 2.868 178.995 176.117 0.018 0.000 1.109 683 I CA 0.766 62.104 61.300 0.063 0.000 1.425 683 I CB -0.460 37.621 38.000 0.134 0.000 1.094 683 I HN 0.129 nan 8.210 nan 0.000 0.425 684 A N 1.563 124.398 122.820 0.024 0.000 1.940 684 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 684 A C 2.212 179.785 177.584 -0.019 0.000 1.176 684 A CA 2.255 54.298 52.037 0.011 0.000 0.631 684 A CB -0.772 18.239 19.000 0.018 0.000 0.814 684 A HN 0.671 nan 8.150 nan 0.000 0.446 685 E N -0.567 119.615 120.200 -0.031 0.000 2.299 685 E HA 0.221 4.571 4.350 -0.000 0.000 0.193 685 E C 1.860 178.396 176.600 -0.107 0.000 0.998 685 E CA 0.707 57.071 56.400 -0.061 0.000 0.851 685 E CB -0.324 29.342 29.700 -0.057 0.000 0.795 685 E HN 0.447 nan 8.360 nan 0.000 0.492 686 A N 2.121 124.881 122.820 -0.100 0.000 1.930 686 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 686 A C 2.112 179.603 177.584 -0.155 0.000 1.175 686 A CA 1.342 53.292 52.037 -0.145 0.000 0.627 686 A CB -0.294 18.641 19.000 -0.109 0.000 0.815 686 A HN 0.104 nan 8.150 nan 0.000 0.443 687 K N -0.082 120.247 120.400 -0.118 0.000 2.097 687 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 687 K C 1.997 178.564 176.600 -0.056 0.000 1.050 687 K CA 1.384 57.616 56.287 -0.092 0.000 0.938 687 K CB -0.156 32.316 32.500 -0.048 0.000 0.718 687 K HN 0.441 nan 8.250 nan 0.000 0.442 688 K N 1.317 121.679 120.400 -0.064 0.000 2.001 688 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 688 K C 2.022 178.580 176.600 -0.070 0.000 1.050 688 K CA 1.706 57.962 56.287 -0.053 0.000 0.934 688 K CB -0.107 32.356 32.500 -0.062 0.000 0.718 688 K HN 0.061 nan 8.250 nan 0.000 0.443 689 K N 0.589 120.885 120.400 -0.174 0.000 2.089 689 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 689 K C 2.084 178.675 176.600 -0.014 0.000 1.048 689 K CA 1.712 57.836 56.287 -0.273 0.000 0.926 689 K CB -0.328 31.649 32.500 -0.872 0.000 0.714 689 K HN -0.015 nan 8.250 nan 0.000 0.448 690 V N 1.491 121.434 119.914 0.050 0.000 2.343 690 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 690 V C 2.176 178.366 176.094 0.160 0.000 1.051 690 V CA 1.387 63.790 62.300 0.172 0.000 1.036 690 V CB -0.465 31.398 31.823 0.066 0.000 0.654 690 V HN 0.243 nan 8.190 nan 0.000 0.451 691 L N 0.564 121.841 121.223 0.089 0.000 2.017 691 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 691 L C 2.137 179.065 176.870 0.097 0.000 1.073 691 L CA 2.069 56.964 54.840 0.091 0.000 0.745 691 L CB -1.032 41.058 42.059 0.051 0.000 0.894 691 L HN 0.294 nan 8.230 nan 0.000 0.432 692 D N -0.641 119.804 120.400 0.075 0.000 2.092 692 D HA -0.171 4.468 4.640 -0.000 0.000 0.193 692 D C 2.307 178.675 176.300 0.115 0.000 0.994 692 D CA 1.807 55.849 54.000 0.070 0.000 0.828 692 D CB -0.482 40.342 40.800 0.040 0.000 0.963 692 D HN 0.256 nan 8.370 nan 0.000 0.450 693 V N 1.248 121.276 119.914 0.190 0.000 2.546 693 V HA -0.253 3.867 4.120 -0.000 0.000 0.254 693 V C 2.374 178.629 176.094 0.269 0.000 1.076 693 V CA 1.913 64.374 62.300 0.268 0.000 1.087 693 V CB -0.775 31.285 31.823 0.395 0.000 0.674 693 V HN 0.253 nan 8.190 nan 0.000 0.470 694 T N -0.629 114.075 114.554 0.250 0.000 2.735 694 T HA -0.140 4.210 4.350 -0.000 0.000 0.256 694 T C 1.930 176.615 174.700 -0.025 0.000 1.042 694 T CA 1.214 63.371 62.100 0.095 0.000 1.147 694 T CB -0.193 68.777 68.868 0.170 0.000 0.865 694 T HN 0.435 nan 8.240 nan 0.000 0.421 695 K N 0.995 121.409 120.400 0.025 0.000 2.113 695 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 695 K C 2.390 178.981 176.600 -0.015 0.000 1.047 695 K CA 1.409 57.697 56.287 0.003 0.000 0.928 695 K CB -0.110 32.402 32.500 0.021 0.000 0.716 695 K HN 0.435 nan 8.250 nan 0.000 0.446 696 E N 0.270 120.472 120.200 0.003 0.000 2.072 696 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 696 E C 1.929 178.501 176.600 -0.046 0.000 0.985 696 E CA 1.022 57.421 56.400 -0.002 0.000 0.801 696 E CB 0.003 29.724 29.700 0.035 0.000 0.750 696 E HN 0.354 nan 8.360 nan 0.000 0.452 697 A N 0.685 123.444 122.820 -0.102 0.000 1.929 697 A HA -0.175 4.144 4.320 -0.000 0.000 0.216 697 A C 1.986 179.456 177.584 -0.189 0.000 1.176 697 A CA 1.131 53.048 52.037 -0.200 0.000 0.628 697 A CB -0.363 18.364 19.000 -0.455 0.000 0.816 697 A HN 0.272 nan 8.150 nan 0.000 0.444 698 Q N -0.720 118.981 119.800 -0.165 0.000 2.291 698 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 698 Q C 1.939 177.894 176.000 -0.075 0.000 0.970 698 Q CA 1.058 56.788 55.803 -0.121 0.000 0.876 698 Q CB -0.253 28.435 28.738 -0.084 0.000 0.935 698 Q HN 0.673 nan 8.270 nan 0.000 0.455 699 A N 0.953 123.736 122.820 -0.061 0.000 2.238 699 A HA -0.007 4.313 4.320 -0.000 0.000 0.210 699 A C 0.700 178.260 177.584 -0.041 0.000 1.179 699 A CA 0.194 52.208 52.037 -0.039 0.000 0.827 699 A CB 0.158 19.143 19.000 -0.024 0.000 0.856 699 A HN 0.407 nan 8.150 nan 0.000 0.488 700 N N -1.323 117.341 118.700 -0.059 0.000 2.815 700 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 700 N C 0.191 175.679 175.510 -0.036 0.000 1.114 700 N CA 0.953 53.971 53.050 -0.054 0.000 0.717 700 N CB -1.870 36.592 38.487 -0.043 0.000 1.074 700 N HN 0.468 nan 8.380 nan 0.000 0.555 701 L N -0.501 120.703 121.223 -0.031 0.000 2.607 701 L HA 0.248 4.588 4.340 -0.000 0.000 0.228 701 L C 1.104 177.969 176.870 -0.008 0.000 1.123 701 L CA -0.097 54.734 54.840 -0.014 0.000 0.890 701 L CB 0.097 42.152 42.059 -0.006 0.000 1.103 701 L HN 0.165 nan 8.230 nan 0.000 0.468 702 L N 0.872 122.084 121.223 -0.018 0.000 2.410 702 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 702 L C -0.084 176.785 176.870 -0.002 0.000 1.152 702 L CA 0.420 55.258 54.840 -0.003 0.000 0.855 702 L CB 1.042 43.091 42.059 -0.016 0.000 1.129 702 L HN 0.046 nan 8.230 nan 0.000 0.463 703 T N 3.651 118.211 114.554 0.011 0.000 2.788 703 T HA 0.435 4.785 4.350 -0.000 0.000 0.296 703 T C 0.319 175.029 174.700 0.016 0.000 1.009 703 T CA -0.537 61.570 62.100 0.011 0.000 0.949 703 T CB 1.355 70.231 68.868 0.014 0.000 0.946 703 T HN 0.702 nan 8.240 nan 0.000 0.453 704 A N 4.400 127.226 122.820 0.011 0.000 2.520 704 A HA 0.285 4.605 4.320 -0.000 0.000 0.235 704 A C 0.699 178.297 177.584 0.024 0.000 1.065 704 A CA -0.058 51.986 52.037 0.012 0.000 0.764 704 A CB 0.151 19.151 19.000 -0.000 0.000 1.002 704 A HN 0.815 nan 8.150 nan 0.000 0.502 705 K N 0.026 120.440 120.400 0.024 0.000 2.143 705 K HA 0.133 4.453 4.320 -0.000 0.000 0.239 705 K C 0.023 176.661 176.600 0.064 0.000 1.048 705 K CA -0.214 56.100 56.287 0.044 0.000 0.867 705 K CB 0.144 32.663 32.500 0.031 0.000 1.088 705 K HN 0.828 nan 8.250 nan 0.000 0.510 706 H N -0.753 118.316 119.070 -0.002 0.000 2.722 706 H HA 0.163 4.719 4.556 -0.000 0.000 0.328 706 H C 1.015 176.341 175.328 -0.003 0.000 1.067 706 H CA 1.316 57.361 56.048 -0.004 0.000 1.447 706 H CB 0.505 30.264 29.762 -0.005 0.000 1.469 706 H HN 0.729 nan 8.280 nan 0.000 0.544 707 G N 3.661 112.078 108.800 -0.638 0.000 2.220 707 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.269 707 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.269 707 G C 0.299 175.090 174.900 -0.181 0.000 0.977 707 G CA 0.643 45.481 45.100 -0.436 0.000 0.634 707 G HN 0.608 nan 8.290 nan 0.000 0.539 708 M N 0.540 120.070 119.600 -0.116 0.000 2.654 708 M HA 0.477 4.957 4.480 -0.000 0.000 0.310 708 M C 0.543 176.817 176.300 -0.043 0.000 1.211 708 M CA -0.459 54.805 55.300 -0.059 0.000 0.947 708 M CB 1.692 34.273 32.600 -0.032 0.000 1.647 708 M HN 0.072 nan 8.290 nan 0.000 0.481 709 T N 1.086 115.623 114.554 -0.028 0.000 2.899 709 T HA 0.216 4.566 4.350 -0.000 0.000 0.284 709 T C 1.128 175.823 174.700 -0.009 0.000 1.004 709 T CA -0.651 61.437 62.100 -0.019 0.000 1.043 709 T CB 0.911 69.771 68.868 -0.014 0.000 1.013 709 T HN 0.400 nan 8.240 nan 0.000 0.518 710 L N 1.121 122.335 121.223 -0.015 0.000 2.131 710 L HA 0.028 4.367 4.340 -0.000 0.000 0.210 710 L C 2.637 179.510 176.870 0.004 0.000 1.092 710 L CA 1.633 56.465 54.840 -0.015 0.000 0.759 710 L CB -0.724 41.309 42.059 -0.044 0.000 0.903 710 L HN 0.538 nan 8.230 nan 0.000 0.435 711 R N -0.409 120.088 120.500 -0.005 0.000 2.073 711 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 711 R C 2.192 178.534 176.300 0.070 0.000 1.120 711 R CA 1.210 57.323 56.100 0.022 0.000 0.967 711 R CB -0.002 30.297 30.300 -0.002 0.000 0.862 711 R HN 0.427 nan 8.270 nan 0.000 0.436 712 E N -0.198 120.018 120.200 0.028 0.000 2.028 712 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 712 E C 1.838 178.440 176.600 0.002 0.000 0.988 712 E CA 1.676 58.081 56.400 0.008 0.000 0.799 712 E CB -0.045 29.649 29.700 -0.010 0.000 0.755 712 E HN 0.400 nan 8.360 nan 0.000 0.447 713 S N 0.677 116.385 115.700 0.013 0.000 2.474 713 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 713 S C 1.691 176.304 174.600 0.022 0.000 0.997 713 S CA 0.513 58.714 58.200 0.002 0.000 0.949 713 S CB -0.292 62.914 63.200 0.010 0.000 0.766 713 S HN 0.262 nan 8.310 nan 0.000 0.517 714 F N 2.884 122.777 119.950 -0.095 0.000 2.118 714 F HA 0.122 4.649 4.527 -0.000 0.000 0.293 714 F C 2.313 178.040 175.800 -0.122 0.000 1.102 714 F CA 1.233 59.167 58.000 -0.109 0.000 1.247 714 F CB -0.500 38.429 39.000 -0.119 0.000 1.017 714 F HN -0.008 nan 8.300 nan 0.000 0.475 715 E N 0.656 120.714 120.200 -0.236 0.000 2.070 715 E HA -0.259 4.090 4.350 -0.000 0.000 0.197 715 E C 2.071 178.483 176.600 -0.313 0.000 1.004 715 E CA 1.498 57.699 56.400 -0.333 0.000 0.805 715 E CB -0.886 28.739 29.700 -0.125 0.000 0.744 715 E HN 0.516 nan 8.360 nan 0.000 0.451 716 D N 0.583 120.858 120.400 -0.208 0.000 2.106 716 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 716 D C 1.571 177.691 176.300 -0.300 0.000 0.997 716 D CA 0.949 54.834 54.000 -0.192 0.000 0.834 716 D CB 0.003 40.730 40.800 -0.122 0.000 0.956 716 D HN 0.109 nan 8.370 nan 0.000 0.448 717 N N 0.175 118.652 118.700 -0.372 0.000 2.084 717 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 717 N C 2.143 177.104 175.510 -0.915 0.000 1.030 717 N CA 0.752 53.433 53.050 -0.615 0.000 0.849 717 N CB -0.381 37.809 38.487 -0.496 0.000 1.012 717 N HN 0.149 nan 8.380 nan 0.000 0.423 718 V N 1.309 120.787 119.914 -0.727 0.000 2.295 718 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 718 V C 2.565 178.439 176.094 -0.367 0.000 1.049 718 V CA 1.164 63.123 62.300 -0.569 0.000 1.024 718 V CB -0.627 30.813 31.823 -0.638 0.000 0.648 718 V HN 0.041 nan 8.190 nan 0.000 0.447 719 V N -0.029 119.695 119.914 -0.317 0.000 2.287 719 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 719 V C 2.574 178.586 176.094 -0.136 0.000 1.053 719 V CA 2.435 64.630 62.300 -0.176 0.000 1.027 719 V CB -0.857 30.884 31.823 -0.137 0.000 0.646 719 V HN 0.461 nan 8.190 nan 0.000 0.447 720 R N -0.667 119.705 120.500 -0.213 0.000 2.105 720 R HA -0.160 4.179 4.340 -0.000 0.000 0.239 720 R C 2.327 178.629 176.300 0.004 0.000 1.135 720 R CA 1.871 57.889 56.100 -0.136 0.000 0.967 720 R CB -0.329 29.845 30.300 -0.211 0.000 0.861 720 R HN 0.553 nan 8.270 nan 0.000 0.442 721 F N 0.268 120.167 119.950 -0.085 0.000 2.186 721 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 721 F C 2.152 177.890 175.800 -0.102 0.000 1.090 721 F CA 0.456 58.402 58.000 -0.091 0.000 1.307 721 F CB -0.022 38.905 39.000 -0.120 0.000 1.019 721 F HN 0.044 nan 8.300 nan 0.000 0.489 722 L N -0.379 120.878 121.223 0.055 0.000 2.095 722 L HA -0.178 4.161 4.340 -0.000 0.000 0.204 722 L C 2.082 179.038 176.870 0.142 0.000 1.080 722 L CA 0.757 55.580 54.840 -0.027 0.000 0.759 722 L CB -0.697 41.283 42.059 -0.132 0.000 0.914 722 L HN 0.103 nan 8.230 nan 0.000 0.439 723 N N 0.307 119.077 118.700 0.117 0.000 2.120 723 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 723 N C 1.742 177.328 175.510 0.126 0.000 1.024 723 N CA 1.212 54.337 53.050 0.126 0.000 0.852 723 N CB -0.144 38.391 38.487 0.079 0.000 1.003 723 N HN 0.391 nan 8.380 nan 0.000 0.424 724 E N 0.602 120.869 120.200 0.111 0.000 2.153 724 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 724 E C 1.869 178.532 176.600 0.105 0.000 0.988 724 E CA 0.980 57.443 56.400 0.104 0.000 0.811 724 E CB -0.012 29.758 29.700 0.117 0.000 0.746 724 E HN 0.363 nan 8.360 nan 0.000 0.466 725 A N 1.240 124.126 122.820 0.109 0.000 1.898 725 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 725 A C 2.075 179.753 177.584 0.157 0.000 1.181 725 A CA 1.343 53.444 52.037 0.106 0.000 0.620 725 A CB -0.398 18.647 19.000 0.076 0.000 0.819 725 A HN 0.086 nan 8.150 nan 0.000 0.442 726 R N -0.277 120.344 120.500 0.201 0.000 2.081 726 R HA -0.174 4.165 4.340 -0.000 0.000 0.235 726 R C 1.271 177.688 176.300 0.195 0.000 1.131 726 R CA 1.935 58.144 56.100 0.181 0.000 0.960 726 R CB -0.353 30.046 30.300 0.165 0.000 0.856 726 R HN 0.479 nan 8.270 nan 0.000 0.436 727 D N 0.801 121.336 120.400 0.225 0.000 2.097 727 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 727 D C 1.772 178.240 176.300 0.281 0.000 0.984 727 D CA 1.584 55.776 54.000 0.318 0.000 0.826 727 D CB -0.160 40.734 40.800 0.157 0.000 0.973 727 D HN 0.486 nan 8.370 nan 0.000 0.460 728 K N 0.883 121.377 120.400 0.158 0.000 2.288 728 K HA 0.143 4.463 4.320 -0.000 0.000 0.201 728 K C 2.022 178.701 176.600 0.131 0.000 1.048 728 K CA 0.972 57.329 56.287 0.117 0.000 0.956 728 K CB 0.014 32.554 32.500 0.068 0.000 0.746 728 K HN -0.009 nan 8.250 nan 0.000 0.461 729 A N 2.052 124.953 122.820 0.135 0.000 1.897 729 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 729 A C 2.492 180.144 177.584 0.113 0.000 1.181 729 A CA 1.454 53.552 52.037 0.101 0.000 0.620 729 A CB -1.164 17.886 19.000 0.084 0.000 0.821 729 A HN 0.497 nan 8.150 nan 0.000 0.443 730 G N -0.169 108.737 108.800 0.177 0.000 2.433 730 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 730 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 730 G C 1.726 176.849 174.900 0.372 0.000 1.186 730 G CA 0.888 46.077 45.100 0.147 0.000 0.779 730 G HN 0.570 nan 8.290 nan 0.000 0.543 731 R N -0.215 120.585 120.500 0.500 0.000 2.152 731 R HA 0.098 4.437 4.340 -0.000 0.000 0.232 731 R C 2.568 178.971 176.300 0.172 0.000 1.117 731 R CA 0.568 56.855 56.100 0.312 0.000 0.981 731 R CB -0.420 29.945 30.300 0.109 0.000 0.870 731 R HN 0.316 nan 8.270 nan 0.000 0.451 732 L N 0.194 121.498 121.223 0.136 0.000 1.994 732 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 732 L C 2.657 179.573 176.870 0.077 0.000 1.071 732 L CA 1.466 56.357 54.840 0.085 0.000 0.745 732 L CB -0.523 41.578 42.059 0.069 0.000 0.892 732 L HN 0.259 nan 8.230 nan 0.000 0.431 733 A N -0.224 122.640 122.820 0.075 0.000 1.858 733 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 733 A C 2.194 179.815 177.584 0.062 0.000 1.190 733 A CA 1.982 54.048 52.037 0.048 0.000 0.617 733 A CB -0.773 18.235 19.000 0.014 0.000 0.827 733 A HN 0.529 nan 8.150 nan 0.000 0.443 734 E N -0.263 119.997 120.200 0.100 0.000 2.187 734 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 734 E C 1.739 178.395 176.600 0.094 0.000 1.004 734 E CA 1.591 58.062 56.400 0.119 0.000 0.813 734 E CB -0.219 29.615 29.700 0.223 0.000 0.736 734 E HN 0.298 nan 8.360 nan 0.000 0.468 735 V N 1.824 121.789 119.914 0.086 0.000 2.358 735 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 735 V C 1.956 178.081 176.094 0.051 0.000 1.047 735 V CA 1.920 64.258 62.300 0.064 0.000 1.035 735 V CB -0.502 31.355 31.823 0.057 0.000 0.658 735 V HN 0.397 nan 8.190 nan 0.000 0.452 736 N N 0.141 118.869 118.700 0.047 0.000 2.331 736 N HA 0.014 4.753 4.740 -0.000 0.000 0.180 736 N C 0.769 176.304 175.510 0.041 0.000 1.019 736 N CA 0.289 53.363 53.050 0.039 0.000 0.881 736 N CB -0.278 38.230 38.487 0.034 0.000 0.972 736 N HN 0.373 nan 8.380 nan 0.000 0.435 737 L N 2.648 123.898 121.223 0.046 0.000 2.771 737 L HA -0.121 4.219 4.340 -0.000 0.000 0.278 737 L C 0.932 177.831 176.870 0.048 0.000 1.175 737 L CA 0.552 55.420 54.840 0.047 0.000 0.973 737 L CB -0.267 41.825 42.059 0.055 0.000 1.286 737 L HN 0.016 nan 8.230 nan 0.000 0.481 738 K N 2.419 122.846 120.400 0.045 0.000 2.202 738 K HA 0.003 4.322 4.320 -0.000 0.000 0.238 738 K C 0.445 177.077 176.600 0.054 0.000 1.070 738 K CA -0.547 55.767 56.287 0.045 0.000 0.859 738 K CB 0.418 32.943 32.500 0.041 0.000 1.140 738 K HN 0.421 nan 8.250 nan 0.000 0.515 739 D N 0.281 120.714 120.400 0.055 0.000 2.349 739 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 739 D C 1.380 177.726 176.300 0.078 0.000 1.029 739 D CA 0.567 54.605 54.000 0.063 0.000 0.879 739 D CB 0.085 40.920 40.800 0.057 0.000 0.906 739 D HN 0.299 nan 8.370 nan 0.000 0.528 740 L N -0.500 120.765 121.223 0.071 0.000 2.202 740 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 740 L C 0.905 177.822 176.870 0.079 0.000 1.083 740 L CA -0.112 54.773 54.840 0.075 0.000 0.790 740 L CB -0.684 41.406 42.059 0.052 0.000 0.942 740 L HN -0.141 nan 8.230 nan 0.000 0.452 741 N N 2.105 120.845 118.700 0.067 0.000 2.276 741 N HA -0.145 4.595 4.740 -0.000 0.000 0.279 741 N C 0.988 176.560 175.510 0.103 0.000 1.379 741 N CA 0.051 53.140 53.050 0.064 0.000 0.886 741 N CB 0.195 38.717 38.487 0.059 0.000 1.199 741 N HN 0.140 nan 8.380 nan 0.000 0.493 742 N N 2.776 121.528 118.700 0.087 0.000 2.132 742 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 742 N C 1.244 176.916 175.510 0.269 0.000 1.015 742 N CA 1.177 54.331 53.050 0.174 0.000 0.864 742 N CB -0.084 38.337 38.487 -0.109 0.000 1.006 742 N HN 0.354 nan 8.380 nan 0.000 0.430 743 V N 1.437 121.439 119.914 0.146 0.000 2.379 743 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 743 V C 2.489 178.655 176.094 0.119 0.000 1.044 743 V CA 1.291 63.668 62.300 0.129 0.000 1.036 743 V CB -0.425 31.445 31.823 0.078 0.000 0.664 743 V HN 0.279 nan 8.190 nan 0.000 0.453 744 K N -0.230 120.232 120.400 0.105 0.000 2.057 744 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 744 K C 2.320 178.975 176.600 0.093 0.000 1.049 744 K CA 1.620 57.961 56.287 0.090 0.000 0.931 744 K CB -0.126 32.422 32.500 0.080 0.000 0.714 744 K HN 0.511 nan 8.250 nan 0.000 0.440 745 Q N -0.154 119.724 119.800 0.130 0.000 2.096 745 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 745 Q C 2.091 178.110 176.000 0.032 0.000 0.982 745 Q CA 1.813 57.681 55.803 0.109 0.000 0.850 745 Q CB -0.074 28.799 28.738 0.226 0.000 0.901 745 Q HN 0.402 nan 8.270 nan 0.000 0.422 746 M N -0.388 119.254 119.600 0.071 0.000 2.394 746 M HA -0.120 4.359 4.480 -0.000 0.000 0.264 746 M C 1.988 178.296 176.300 0.013 0.000 1.073 746 M CA 0.734 56.036 55.300 0.002 0.000 1.111 746 M CB 0.240 32.883 32.600 0.072 0.000 1.401 746 M HN 0.042 nan 8.290 nan 0.000 0.448 747 V N -0.198 119.740 119.914 0.042 0.000 2.407 747 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 747 V C 2.210 178.321 176.094 0.027 0.000 1.041 747 V CA 1.384 63.709 62.300 0.042 0.000 1.040 747 V CB -0.459 31.401 31.823 0.062 0.000 0.671 747 V HN 0.468 nan 8.190 nan 0.000 0.455 748 M N 0.229 119.844 119.600 0.025 0.000 2.117 748 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 748 M C 2.285 178.580 176.300 -0.009 0.000 1.065 748 M CA 2.122 57.430 55.300 0.014 0.000 1.114 748 M CB -0.453 32.158 32.600 0.018 0.000 1.361 748 M HN 0.400 nan 8.290 nan 0.000 0.408 749 A N -0.403 122.399 122.820 -0.030 0.000 2.014 749 A HA 0.223 4.543 4.320 -0.000 0.000 0.218 749 A C 1.588 179.149 177.584 -0.038 0.000 1.163 749 A CA 1.166 53.172 52.037 -0.052 0.000 0.652 749 A CB -0.758 18.185 19.000 -0.095 0.000 0.808 749 A HN 0.658 nan 8.150 nan 0.000 0.449 750 G N -0.513 108.274 108.800 -0.021 0.000 2.255 750 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.239 750 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.239 750 G C 0.104 174.998 174.900 -0.011 0.000 1.083 750 G CA 0.425 45.519 45.100 -0.009 0.000 0.826 750 G HN 1.636 nan 8.290 nan 0.000 0.493 751 S N 0.016 115.706 115.700 -0.016 0.000 2.112 751 S HA 0.717 5.187 4.470 -0.000 0.000 0.151 751 S C -0.145 174.457 174.600 0.004 0.000 1.723 751 S CA -0.140 58.052 58.200 -0.013 0.000 1.263 751 S CB 1.374 64.551 63.200 -0.038 0.000 1.194 751 S HN 0.990 nan 8.310 nan 0.000 0.419 752 K N 0.128 120.538 120.400 0.016 0.000 8.802 752 K HA 0.124 4.444 4.320 -0.000 0.000 0.670 752 K C 0.096 176.717 176.600 0.036 0.000 2.556 752 K CA 0.925 57.229 56.287 0.027 0.000 1.923 752 K CB -1.324 31.197 32.500 0.034 0.000 2.053 752 K HN 2.093 nan 8.250 nan 0.000 0.368 753 G N 0.250 109.073 108.800 0.040 0.000 2.663 753 G HA2 0.266 4.226 3.960 -0.000 0.000 0.686 753 G HA3 0.266 4.226 3.960 -0.000 0.000 0.686 753 G C -0.964 173.967 174.900 0.052 0.000 1.246 753 G CA 0.370 45.498 45.100 0.047 0.000 0.795 753 G HN 1.963 nan 8.290 nan 0.000 0.627 754 S N -0.528 115.208 115.700 0.060 0.000 2.680 754 S HA 0.518 4.988 4.470 -0.000 0.000 0.284 754 S C 0.283 174.947 174.600 0.106 0.000 1.055 754 S CA 0.316 58.571 58.200 0.091 0.000 0.849 754 S CB 0.898 64.149 63.200 0.085 0.000 1.068 754 S HN 2.071 nan 8.310 nan 0.000 0.453 755 F N 2.021 121.986 119.950 0.026 0.000 2.048 755 F HA -0.228 4.299 4.527 -0.000 0.000 0.296 755 F C 1.920 177.736 175.800 0.027 0.000 1.109 755 F CA 2.315 60.331 58.000 0.025 0.000 1.214 755 F CB -0.337 38.676 39.000 0.021 0.000 0.963 755 F HN 0.651 nan 8.300 nan 0.000 0.491 756 I N 0.943 121.490 120.570 -0.039 0.000 2.300 756 I HA -0.377 3.793 4.170 -0.000 0.000 0.252 756 I C 2.020 178.044 176.117 -0.154 0.000 1.119 756 I CA 1.592 62.815 61.300 -0.129 0.000 1.384 756 I CB -1.414 36.612 38.000 0.043 0.000 1.062 756 I HN 0.359 nan 8.210 nan 0.000 0.426 757 N N 0.822 119.474 118.700 -0.079 0.000 2.083 757 N HA -0.071 4.668 4.740 -0.000 0.000 0.190 757 N C 1.981 177.442 175.510 -0.081 0.000 1.047 757 N CA 1.195 54.224 53.050 -0.034 0.000 0.845 757 N CB -0.466 38.028 38.487 0.012 0.000 1.025 757 N HN 0.312 nan 8.380 nan 0.000 0.428 758 I N 1.624 122.131 120.570 -0.106 0.000 2.194 758 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 758 I C 2.363 178.357 176.117 -0.206 0.000 1.093 758 I CA 1.249 62.483 61.300 -0.110 0.000 1.355 758 I CB -0.440 37.514 38.000 -0.078 0.000 1.046 758 I HN 0.076 nan 8.210 nan 0.000 0.413 759 A N 0.216 122.777 122.820 -0.431 0.000 1.902 759 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 759 A C 2.277 179.684 177.584 -0.294 0.000 1.181 759 A CA 1.622 53.356 52.037 -0.504 0.000 0.623 759 A CB -0.538 17.873 19.000 -0.982 0.000 0.818 759 A HN 0.510 nan 8.150 nan 0.000 0.443 760 Q N -1.477 118.175 119.800 -0.247 0.000 2.269 760 Q HA 0.086 4.426 4.340 -0.000 0.000 0.201 760 Q C 2.125 177.997 176.000 -0.213 0.000 0.946 760 Q CA 0.859 56.508 55.803 -0.257 0.000 0.877 760 Q CB -0.065 28.559 28.738 -0.189 0.000 0.963 760 Q HN 0.686 nan 8.270 nan 0.000 0.472 761 M N -0.494 119.084 119.600 -0.035 0.000 2.171 761 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 761 M C 2.138 178.438 176.300 -0.001 0.000 1.087 761 M CA 1.257 56.600 55.300 0.072 0.000 1.154 761 M CB 0.096 32.750 32.600 0.090 0.000 1.331 761 M HN 0.041 nan 8.290 nan 0.000 0.431 762 S N 0.220 115.900 115.700 -0.032 0.000 2.395 762 S HA 0.167 4.636 4.470 -0.000 0.000 0.225 762 S C 0.861 175.435 174.600 -0.043 0.000 1.027 762 S CA 0.697 58.880 58.200 -0.027 0.000 0.965 762 S CB -0.044 63.144 63.200 -0.020 0.000 0.812 762 S HN 0.472 nan 8.310 nan 0.000 0.482 763 A N 0.074 122.847 122.820 -0.079 0.000 2.858 763 A HA 0.583 4.903 4.320 -0.000 0.000 0.232 763 A C 0.208 177.721 177.584 -0.119 0.000 1.258 763 A CA -0.588 51.407 52.037 -0.070 0.000 0.909 763 A CB -0.343 18.627 19.000 -0.050 0.000 1.491 763 A HN 0.386 nan 8.150 nan 0.000 0.472 764 C N -0.119 119.122 119.300 -0.098 0.000 2.431 764 C HA 0.186 4.646 4.460 -0.000 0.000 0.397 764 C C 1.891 176.726 174.990 -0.259 0.000 1.436 764 C CA 0.516 59.442 59.018 -0.153 0.000 1.596 764 C CB -1.154 26.550 27.740 -0.060 0.000 2.550 764 C HN 0.576 nan 8.230 nan 0.000 0.596 765 V N 6.314 125.997 119.914 -0.385 0.000 2.283 765 V HA 0.296 4.416 4.120 -0.000 0.000 0.243 765 V C 1.537 177.401 176.094 -0.384 0.000 1.039 765 V CA 2.308 64.311 62.300 -0.496 0.000 1.016 765 V CB -0.962 30.454 31.823 -0.678 0.000 0.650 765 V HN 1.531 nan 8.190 nan 0.000 0.449 766 G N -0.709 107.823 108.800 -0.448 0.000 2.343 766 G HA2 0.066 4.026 3.960 -0.000 0.000 0.465 766 G HA3 0.066 4.026 3.960 -0.000 0.000 0.465 766 G C -1.087 173.579 174.900 -0.390 0.000 1.282 766 G CA -0.168 44.735 45.100 -0.329 0.000 0.996 766 G HN 0.364 nan 8.290 nan 0.000 0.521 767 Q N -0.129 119.628 119.800 -0.072 0.000 2.288 767 Q HA 0.643 4.983 4.340 -0.000 0.000 0.258 767 Q C 0.208 176.202 176.000 -0.009 0.000 0.957 767 Q CA -0.013 55.831 55.803 0.068 0.000 0.919 767 Q CB 1.169 30.039 28.738 0.221 0.000 1.185 767 Q HN 0.579 nan 8.270 nan 0.000 0.408 768 Q N 1.409 121.203 119.800 -0.010 0.000 2.260 768 Q HA 0.642 4.982 4.340 -0.000 0.000 0.242 768 Q C -1.071 174.935 176.000 0.010 0.000 0.932 768 Q CA 0.088 55.901 55.803 0.016 0.000 0.891 768 Q CB 1.549 30.337 28.738 0.082 0.000 1.222 768 Q HN 0.845 nan 8.270 nan 0.000 0.453 769 S N -0.536 115.173 115.700 0.015 0.000 2.607 769 S HA 0.890 5.360 4.470 -0.000 0.000 0.273 769 S C -1.377 173.221 174.600 -0.002 0.000 1.148 769 S CA -0.833 57.363 58.200 -0.006 0.000 0.833 769 S CB 1.368 64.564 63.200 -0.007 0.000 1.130 769 S HN 0.277 nan 8.310 nan 0.000 0.470 770 V N 1.112 121.016 119.914 -0.016 0.000 2.737 770 V HA 0.508 4.627 4.120 -0.000 0.000 0.298 770 V C -0.485 175.597 176.094 -0.021 0.000 1.163 770 V CA -0.552 61.739 62.300 -0.014 0.000 0.925 770 V CB 1.081 32.898 31.823 -0.010 0.000 1.037 770 V HN 1.150 nan 8.190 nan 0.000 0.433 771 E N 2.776 122.966 120.200 -0.017 0.000 2.513 771 E HA -0.211 4.138 4.350 -0.000 0.000 0.257 771 E C 0.974 177.561 176.600 -0.021 0.000 1.098 771 E CA 0.642 57.032 56.400 -0.018 0.000 0.752 771 E CB -0.980 28.709 29.700 -0.019 0.000 1.324 771 E HN 1.792 nan 8.360 nan 0.000 0.403 772 G N 0.520 109.308 108.800 -0.019 0.000 2.338 772 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.296 772 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.296 772 G C -0.054 174.826 174.900 -0.033 0.000 1.040 772 G CA 1.444 46.531 45.100 -0.022 0.000 1.004 772 G HN 0.291 nan 8.290 nan 0.000 0.509 773 K N -1.249 119.126 120.400 -0.041 0.000 2.578 773 K HA 0.425 4.745 4.320 -0.000 0.000 0.287 773 K C 0.386 176.942 176.600 -0.072 0.000 1.010 773 K CA -1.252 54.999 56.287 -0.060 0.000 0.889 773 K CB 1.515 33.976 32.500 -0.065 0.000 1.514 773 K HN 0.272 nan 8.250 nan 0.000 0.424 774 R N 0.676 121.116 120.500 -0.100 0.000 2.580 774 R HA 0.356 4.695 4.340 -0.000 0.000 0.267 774 R C 0.338 176.540 176.300 -0.163 0.000 1.125 774 R CA -0.839 55.188 56.100 -0.122 0.000 1.188 774 R CB 0.009 30.228 30.300 -0.135 0.000 1.155 774 R HN 0.360 nan 8.270 nan 0.000 0.586 775 I N 1.580 122.024 120.570 -0.211 0.000 2.919 775 I HA -0.120 4.049 4.170 -0.000 0.000 0.299 775 I C 1.128 177.111 176.117 -0.223 0.000 1.221 775 I CA 0.325 61.498 61.300 -0.210 0.000 1.424 775 I CB -1.135 36.610 38.000 -0.425 0.000 1.358 775 I HN 0.725 nan 8.210 nan 0.000 0.551 776 A N 7.692 130.431 122.820 -0.136 0.000 2.267 776 A HA 0.422 4.742 4.320 -0.000 0.000 0.271 776 A C 0.067 177.648 177.584 -0.005 0.000 1.131 776 A CA -0.353 51.577 52.037 -0.178 0.000 0.818 776 A CB 0.182 19.136 19.000 -0.077 0.000 1.118 776 A HN 0.593 nan 8.150 nan 0.000 0.501 777 F N 0.705 120.654 119.950 -0.002 0.000 2.467 777 F HA 0.263 4.790 4.527 -0.000 0.000 0.349 777 F C 1.715 177.549 175.800 0.058 0.000 1.182 777 F CA -0.261 57.759 58.000 0.033 0.000 1.279 777 F CB 0.438 39.441 39.000 0.005 0.000 1.626 777 F HN 0.780 nan 8.300 nan 0.000 0.596 778 G N 1.950 110.885 108.800 0.225 0.000 2.432 778 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 778 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 778 G C 0.505 175.414 174.900 0.015 0.000 1.135 778 G CA 0.228 45.364 45.100 0.060 0.000 0.767 778 G HN 0.321 nan 8.290 nan 0.000 0.550 779 F N -0.408 119.625 119.950 0.139 0.000 2.368 779 F HA 0.413 4.940 4.527 -0.000 0.000 0.315 779 F C 0.613 176.445 175.800 0.052 0.000 1.145 779 F CA -1.091 56.958 58.000 0.082 0.000 1.095 779 F CB 1.368 40.410 39.000 0.070 0.000 1.286 779 F HN -0.254 nan 8.300 nan 0.000 0.530 780 V N 1.967 122.030 119.914 0.248 0.000 2.521 780 V HA -0.013 4.107 4.120 -0.000 0.000 0.286 780 V C -0.093 175.988 176.094 -0.022 0.000 1.034 780 V CA -0.288 62.077 62.300 0.109 0.000 1.045 780 V CB 0.341 32.212 31.823 0.080 0.000 0.974 780 V HN 0.810 nan 8.190 nan 0.000 0.480 781 D N 2.738 123.091 120.400 -0.079 0.000 2.931 781 D HA -0.210 4.430 4.640 -0.000 0.000 0.228 781 D C 0.483 176.135 176.300 -1.080 0.000 1.180 781 D CA 1.662 55.426 54.000 -0.394 0.000 0.784 781 D CB -0.491 40.191 40.800 -0.195 0.000 1.093 781 D HN 0.953 nan 8.370 nan 0.000 0.421 782 R N -3.947 116.049 120.500 -0.841 0.000 2.712 782 R HA 0.558 4.898 4.340 -0.000 0.000 0.272 782 R C 0.472 176.834 176.300 0.103 0.000 1.032 782 R CA -0.869 54.787 56.100 -0.740 0.000 0.874 782 R CB 0.384 30.503 30.300 -0.300 0.000 1.256 782 R HN -0.260 nan 8.270 nan 0.000 0.468 783 T N 0.266 114.991 114.554 0.284 0.000 2.735 783 T HA 0.227 4.577 4.350 -0.000 0.000 0.256 783 T C 0.427 175.546 174.700 0.698 0.000 1.042 783 T CA 0.815 63.218 62.100 0.506 0.000 1.147 783 T CB -0.106 68.963 68.868 0.334 0.000 0.865 783 T HN 0.288 nan 8.240 nan 0.000 0.421 784 L N 0.634 122.229 121.223 0.620 0.000 2.424 784 L HA 0.363 4.703 4.340 -0.000 0.000 0.258 784 L C -2.011 174.862 176.870 0.006 0.000 0.995 784 L CA -2.213 52.844 54.840 0.362 0.000 0.821 784 L CB 2.520 44.633 42.059 0.090 0.000 1.383 784 L HN -0.132 nan 8.230 nan 0.000 0.410 785 P HA -0.074 nan 4.420 nan 0.000 0.259 785 P C 0.392 177.700 177.300 0.012 0.000 1.307 785 P CA 0.972 63.907 63.100 -0.275 0.000 0.768 785 P CB -0.229 31.200 31.700 -0.451 0.000 1.199 786 H N -2.182 116.720 119.070 -0.279 0.000 2.594 786 H HA 0.269 4.824 4.556 -0.000 0.000 0.279 786 H C 0.205 175.233 175.328 -0.499 0.000 1.042 786 H CA -0.343 55.461 56.048 -0.406 0.000 1.177 786 H CB 0.092 29.537 29.762 -0.529 0.000 1.524 786 H HN 0.168 nan 8.280 nan 0.000 0.537 787 F N 0.220 120.210 119.950 0.066 0.000 2.631 787 F HA 0.377 4.904 4.527 -0.000 0.000 0.328 787 F C 0.402 176.180 175.800 -0.037 0.000 1.067 787 F CA -1.161 56.856 58.000 0.027 0.000 0.969 787 F CB 1.808 40.834 39.000 0.043 0.000 1.332 787 F HN -0.188 nan 8.300 nan 0.000 0.490 788 S N 0.422 116.237 115.700 0.191 0.000 2.616 788 S HA 0.356 4.826 4.470 -0.000 0.000 0.277 788 S C -0.325 174.262 174.600 -0.021 0.000 1.234 788 S CA -1.001 57.233 58.200 0.056 0.000 1.028 788 S CB 1.068 64.301 63.200 0.055 0.000 0.988 788 S HN 0.364 nan 8.310 nan 0.000 0.522 789 K N 1.286 121.641 120.400 -0.074 0.000 2.286 789 K HA 0.039 4.359 4.320 -0.000 0.000 0.256 789 K C -0.203 176.318 176.600 -0.132 0.000 0.999 789 K CA -0.047 56.138 56.287 -0.170 0.000 0.908 789 K CB 0.101 32.526 32.500 -0.124 0.000 0.981 789 K HN 0.587 nan 8.250 nan 0.000 0.500 790 D N 1.115 121.394 120.400 -0.201 0.000 2.811 790 D HA -0.177 4.463 4.640 -0.000 0.000 0.231 790 D C -0.607 175.769 176.300 0.127 0.000 1.157 790 D CA 1.084 55.110 54.000 0.043 0.000 0.716 790 D CB -0.823 40.064 40.800 0.145 0.000 1.077 790 D HN 0.528 nan 8.370 nan 0.000 0.428 791 D N -0.213 120.150 120.400 -0.062 0.000 2.443 791 D HA 0.133 4.773 4.640 -0.000 0.000 0.221 791 D C 0.282 176.603 176.300 0.034 0.000 1.097 791 D CA -0.503 53.519 54.000 0.036 0.000 0.865 791 D CB 0.030 40.808 40.800 -0.036 0.000 1.034 791 D HN 0.084 nan 8.370 nan 0.000 0.511 792 Y N 1.374 121.786 120.300 0.186 0.000 2.468 792 Y HA 0.079 4.629 4.550 -0.000 0.000 0.268 792 Y C 1.640 177.610 175.900 0.117 0.000 1.177 792 Y CA -0.357 57.860 58.100 0.196 0.000 1.265 792 Y CB -0.221 38.414 38.460 0.292 0.000 1.103 792 Y HN 0.274 nan 8.280 nan 0.000 0.522 793 S N 1.561 117.368 115.700 0.178 0.000 2.572 793 S HA -0.021 4.449 4.470 -0.000 0.000 0.262 793 S C -1.257 173.366 174.600 0.038 0.000 1.375 793 S CA -0.798 57.467 58.200 0.109 0.000 0.996 793 S CB 0.633 63.884 63.200 0.085 0.000 0.892 793 S HN 0.111 nan 8.310 nan 0.000 0.562 794 P HA -0.057 nan 4.420 nan 0.000 0.216 794 P C 0.957 178.323 177.300 0.111 0.000 1.153 794 P CA 1.258 64.367 63.100 0.016 0.000 0.844 794 P CB -0.095 31.533 31.700 -0.119 0.000 0.787 795 E N 0.598 120.879 120.200 0.135 0.000 2.049 795 E HA -0.174 4.175 4.350 -0.000 0.000 0.198 795 E C 2.427 179.070 176.600 0.072 0.000 1.007 795 E CA 1.813 58.339 56.400 0.209 0.000 0.809 795 E CB -1.242 28.614 29.700 0.260 0.000 0.749 795 E HN 0.189 nan 8.360 nan 0.000 0.450 796 S N 0.313 115.879 115.700 -0.224 0.000 2.359 796 S HA -0.193 4.277 4.470 -0.000 0.000 0.222 796 S C 1.501 175.815 174.600 -0.476 0.000 1.038 796 S CA 1.353 59.146 58.200 -0.678 0.000 1.051 796 S CB -0.106 62.732 63.200 -0.603 0.000 0.944 796 S HN 0.074 nan 8.310 nan 0.000 0.433 797 K N 0.287 120.493 120.400 -0.323 0.000 2.551 797 K HA 0.226 4.546 4.320 -0.000 0.000 0.204 797 K C 0.725 177.057 176.600 -0.446 0.000 1.033 797 K CA 0.489 56.548 56.287 -0.380 0.000 1.187 797 K CB 0.045 32.390 32.500 -0.259 0.000 0.900 797 K HN 0.608 nan 8.250 nan 0.000 0.499 798 G N 1.038 109.510 108.800 -0.546 0.000 2.183 798 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.168 798 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.168 798 G C -0.400 174.524 174.900 0.041 0.000 1.008 798 G CA -0.764 44.133 45.100 -0.338 0.000 0.677 798 G HN 0.269 nan 8.290 nan 0.000 0.498 799 F N 1.951 121.884 119.950 -0.028 0.000 2.427 799 F HA 0.605 5.132 4.527 -0.000 0.000 0.352 799 F C 0.364 176.210 175.800 0.076 0.000 1.100 799 F CA -0.765 57.245 58.000 0.017 0.000 1.191 799 F CB 1.597 40.604 39.000 0.011 0.000 1.128 799 F HN -0.021 nan 8.300 nan 0.000 0.533 800 V N 7.511 126.999 119.914 -0.710 0.000 2.275 800 V HA 0.113 4.233 4.120 -0.000 0.000 0.272 800 V C 0.748 176.367 176.094 -0.791 0.000 1.028 800 V CA -0.359 61.645 62.300 -0.494 0.000 0.810 800 V CB 0.886 32.478 31.823 -0.385 0.000 1.043 800 V HN 0.906 nan 8.190 nan 0.000 0.453 801 E N 4.359 124.300 120.200 -0.432 0.000 2.216 801 E HA -0.049 4.300 4.350 -0.000 0.000 0.192 801 E C 0.877 177.403 176.600 -0.124 0.000 0.988 801 E CA 0.520 56.814 56.400 -0.175 0.000 0.834 801 E CB 0.333 30.139 29.700 0.178 0.000 0.772 801 E HN 0.710 nan 8.360 nan 0.000 0.479 802 N N 0.794 119.418 118.700 -0.127 0.000 2.379 802 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 802 N C -0.295 175.105 175.510 -0.184 0.000 1.254 802 N CA 0.447 53.438 53.050 -0.098 0.000 0.958 802 N CB 1.406 39.869 38.487 -0.040 0.000 1.208 802 N HN 0.159 nan 8.380 nan 0.000 0.532 803 S N -1.080 114.535 115.700 -0.142 0.000 2.704 803 S HA 0.350 4.819 4.470 -0.000 0.000 0.305 803 S C 0.916 175.431 174.600 -0.141 0.000 1.107 803 S CA -0.707 57.367 58.200 -0.209 0.000 0.993 803 S CB 0.627 63.758 63.200 -0.114 0.000 1.110 803 S HN 0.559 nan 8.310 nan 0.000 0.534 804 Y N -0.085 120.200 120.300 -0.025 0.000 2.224 804 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 804 Y C 2.338 178.245 175.900 0.012 0.000 1.146 804 Y CA 0.909 59.011 58.100 0.005 0.000 1.182 804 Y CB -0.178 38.285 38.460 0.005 0.000 0.983 804 Y HN 0.591 nan 8.280 nan 0.000 0.524 805 L N 0.665 121.971 121.223 0.139 0.000 2.083 805 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 805 L C 2.095 179.003 176.870 0.063 0.000 1.083 805 L CA 1.700 56.590 54.840 0.084 0.000 0.752 805 L CB -0.578 41.511 42.059 0.050 0.000 0.899 805 L HN 0.031 nan 8.230 nan 0.000 0.433 806 R N -0.337 120.190 120.500 0.045 0.000 2.127 806 R HA 0.280 4.620 4.340 -0.000 0.000 0.217 806 R C 0.438 176.770 176.300 0.054 0.000 1.074 806 R CA 0.623 56.745 56.100 0.036 0.000 0.991 806 R CB -0.133 30.177 30.300 0.015 0.000 0.895 806 R HN 0.574 nan 8.270 nan 0.000 0.450 807 G N 0.399 109.247 108.800 0.080 0.000 2.788 807 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 807 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 807 G C -1.189 173.775 174.900 0.106 0.000 1.147 807 G CA -1.046 44.122 45.100 0.113 0.000 0.755 807 G HN -0.011 nan 8.290 nan 0.000 0.634 808 L N 1.274 122.599 121.223 0.169 0.000 2.439 808 L HA 0.754 5.094 4.340 -0.000 0.000 0.259 808 L C 1.694 178.652 176.870 0.147 0.000 1.129 808 L CA 0.251 55.191 54.840 0.166 0.000 0.803 808 L CB 1.202 43.423 42.059 0.270 0.000 1.161 808 L HN 1.015 nan 8.230 nan 0.000 0.462 809 T N -1.734 112.897 114.554 0.128 0.000 2.881 809 T HA 0.386 4.736 4.350 -0.000 0.000 0.278 809 T C -2.038 172.725 174.700 0.106 0.000 0.982 809 T CA -1.650 60.507 62.100 0.095 0.000 0.989 809 T CB 1.023 69.947 68.868 0.093 0.000 1.058 809 T HN 0.343 nan 8.240 nan 0.000 0.529 810 P HA -0.120 nan 4.420 nan 0.000 0.214 810 P C 1.642 178.962 177.300 0.034 0.000 1.163 810 P CA 1.206 64.323 63.100 0.028 0.000 0.889 810 P CB -0.034 31.655 31.700 -0.019 0.000 0.790 811 Q N -0.371 119.408 119.800 -0.034 0.000 2.135 811 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 811 Q C 2.101 177.955 176.000 -0.244 0.000 0.981 811 Q CA 1.634 57.332 55.803 -0.175 0.000 0.856 811 Q CB -0.793 27.993 28.738 0.081 0.000 0.902 811 Q HN 0.405 nan 8.270 nan 0.000 0.425 812 E N -0.440 119.801 120.200 0.068 0.000 2.047 812 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 812 E C 1.561 178.267 176.600 0.177 0.000 0.987 812 E CA 0.832 57.328 56.400 0.161 0.000 0.799 812 E CB -0.199 29.592 29.700 0.152 0.000 0.752 812 E HN 0.306 nan 8.360 nan 0.000 0.449 813 F N 0.104 120.088 119.950 0.057 0.000 2.154 813 F HA -0.257 4.270 4.527 -0.000 0.000 0.301 813 F C 1.909 177.756 175.800 0.078 0.000 1.087 813 F CA 1.373 59.432 58.000 0.098 0.000 1.274 813 F CB -0.099 38.947 39.000 0.077 0.000 1.009 813 F HN 0.018 nan 8.300 nan 0.000 0.485 814 F N -0.346 119.618 119.950 0.024 0.000 2.128 814 F HA -0.099 4.427 4.527 -0.000 0.000 0.295 814 F C 2.037 177.788 175.800 -0.082 0.000 1.100 814 F CA 1.495 59.442 58.000 -0.089 0.000 1.260 814 F CB -0.809 38.075 39.000 -0.193 0.000 1.009 814 F HN -0.050 nan 8.300 nan 0.000 0.476 815 F N -0.867 119.222 119.950 0.233 0.000 2.069 815 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 815 F C 2.672 178.491 175.800 0.031 0.000 1.113 815 F CA 1.413 59.483 58.000 0.116 0.000 1.214 815 F CB -0.984 38.107 39.000 0.150 0.000 0.978 815 F HN 0.061 nan 8.300 nan 0.000 0.474 816 H N 0.762 119.882 119.070 0.083 0.000 2.353 816 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 816 H C 2.081 177.317 175.328 -0.154 0.000 1.103 816 H CA 1.404 57.430 56.048 -0.036 0.000 1.293 816 H CB -0.617 29.105 29.762 -0.067 0.000 1.372 816 H HN 0.189 nan 8.280 nan 0.000 0.501 817 A N 0.477 123.131 122.820 -0.277 0.000 1.908 817 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 817 A C 2.681 180.069 177.584 -0.327 0.000 1.181 817 A CA 2.002 53.779 52.037 -0.434 0.000 0.627 817 A CB -0.739 17.944 19.000 -0.528 0.000 0.818 817 A HN 0.520 nan 8.150 nan 0.000 0.445 818 M N -0.703 118.728 119.600 -0.282 0.000 2.159 818 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 818 M C 2.248 178.499 176.300 -0.082 0.000 1.063 818 M CA 1.388 56.581 55.300 -0.179 0.000 1.110 818 M CB -0.525 32.037 32.600 -0.065 0.000 1.374 818 M HN 0.523 nan 8.290 nan 0.000 0.411 819 G N -0.169 108.615 108.800 -0.026 0.000 2.456 819 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.213 819 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.213 819 G C 1.520 176.398 174.900 -0.036 0.000 1.215 819 G CA 0.691 45.795 45.100 0.007 0.000 0.805 819 G HN 0.516 nan 8.290 nan 0.000 0.537 820 G N 0.568 109.319 108.800 -0.080 0.000 2.550 820 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.222 820 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.222 820 G C 1.857 176.685 174.900 -0.121 0.000 1.113 820 G CA 1.468 46.486 45.100 -0.136 0.000 0.748 820 G HN 0.475 nan 8.290 nan 0.000 0.585 821 R N 0.578 121.000 120.500 -0.130 0.000 2.066 821 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 821 R C 2.448 178.704 176.300 -0.073 0.000 1.131 821 R CA 1.777 57.812 56.100 -0.109 0.000 0.955 821 R CB -0.506 29.721 30.300 -0.122 0.000 0.851 821 R HN 0.516 nan 8.270 nan 0.000 0.432 822 E N -0.945 119.220 120.200 -0.059 0.000 2.160 822 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 822 E C 1.655 178.234 176.600 -0.035 0.000 0.991 822 E CA 1.408 57.784 56.400 -0.040 0.000 0.810 822 E CB -0.370 29.314 29.700 -0.028 0.000 0.742 822 E HN 0.536 nan 8.360 nan 0.000 0.466 823 G N 0.717 109.494 108.800 -0.037 0.000 2.443 823 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 823 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 823 G C 1.494 176.372 174.900 -0.037 0.000 1.131 823 G CA 0.462 45.543 45.100 -0.031 0.000 0.775 823 G HN 0.212 nan 8.290 nan 0.000 0.547 824 L N -0.265 120.928 121.223 -0.049 0.000 2.127 824 L HA 0.189 4.529 4.340 -0.000 0.000 0.203 824 L C 2.759 179.605 176.870 -0.041 0.000 1.080 824 L CA 0.233 55.044 54.840 -0.048 0.000 0.768 824 L CB -0.248 41.775 42.059 -0.060 0.000 0.924 824 L HN 0.151 nan 8.230 nan 0.000 0.444 825 I N 1.058 121.604 120.570 -0.040 0.000 2.127 825 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 825 I C 2.100 178.199 176.117 -0.030 0.000 1.075 825 I CA 2.066 63.345 61.300 -0.034 0.000 1.334 825 I CB -0.386 37.594 38.000 -0.034 0.000 1.040 825 I HN 0.425 nan 8.210 nan 0.000 0.405 826 D N -0.773 119.610 120.400 -0.028 0.000 2.224 826 D HA -0.136 4.503 4.640 -0.000 0.000 0.205 826 D C 1.879 178.164 176.300 -0.024 0.000 0.965 826 D CA 0.971 54.957 54.000 -0.024 0.000 0.852 826 D CB -0.773 40.015 40.800 -0.020 0.000 0.947 826 D HN 0.121 nan 8.370 nan 0.000 0.494 827 T N 0.057 114.596 114.554 -0.026 0.000 2.759 827 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 827 T C 2.067 176.752 174.700 -0.026 0.000 1.042 827 T CA 1.678 63.763 62.100 -0.026 0.000 1.140 827 T CB -0.468 68.383 68.868 -0.028 0.000 0.864 827 T HN 0.386 nan 8.240 nan 0.000 0.455 828 A N 0.553 123.356 122.820 -0.028 0.000 1.898 828 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 828 A C 2.554 180.122 177.584 -0.025 0.000 1.181 828 A CA 1.269 53.289 52.037 -0.027 0.000 0.620 828 A CB -0.867 18.116 19.000 -0.028 0.000 0.819 828 A HN 0.360 nan 8.150 nan 0.000 0.442 829 V N -0.038 119.860 119.914 -0.026 0.000 2.229 829 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 829 V C 2.453 178.534 176.094 -0.022 0.000 1.042 829 V CA 2.346 64.630 62.300 -0.026 0.000 1.000 829 V CB -0.670 31.137 31.823 -0.027 0.000 0.637 829 V HN 0.437 nan 8.190 nan 0.000 0.446 830 K N 0.142 120.530 120.400 -0.020 0.000 2.189 830 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 830 K C 2.134 178.724 176.600 -0.016 0.000 1.046 830 K CA 2.081 58.358 56.287 -0.017 0.000 0.928 830 K CB -0.988 31.501 32.500 -0.018 0.000 0.720 830 K HN 0.527 nan 8.250 nan 0.000 0.458 831 T N -0.025 114.518 114.554 -0.019 0.000 2.701 831 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 831 T C 1.738 176.432 174.700 -0.010 0.000 1.040 831 T CA 1.386 63.475 62.100 -0.019 0.000 1.147 831 T CB -0.360 68.495 68.868 -0.023 0.000 0.865 831 T HN 0.357 nan 8.240 nan 0.000 0.426 832 A N 1.393 124.208 122.820 -0.009 0.000 1.824 832 A HA -0.128 4.191 4.320 -0.000 0.000 0.215 832 A C 2.084 179.684 177.584 0.026 0.000 1.209 832 A CA 1.946 53.984 52.037 0.001 0.000 0.614 832 A CB -1.062 17.927 19.000 -0.018 0.000 0.852 832 A HN 0.546 nan 8.150 nan 0.000 0.447 833 E N -1.280 118.923 120.200 0.005 0.000 2.279 833 E HA -0.213 4.136 4.350 -0.000 0.000 0.205 833 E C 1.965 178.614 176.600 0.081 0.000 1.028 833 E CA 1.847 58.264 56.400 0.028 0.000 0.830 833 E CB -0.153 29.544 29.700 -0.005 0.000 0.736 833 E HN 0.672 nan 8.360 nan 0.000 0.478 834 T N -1.299 113.279 114.554 0.040 0.000 2.809 834 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 834 T C 1.737 176.450 174.700 0.021 0.000 1.039 834 T CA 0.912 63.024 62.100 0.021 0.000 1.141 834 T CB -0.353 68.509 68.868 -0.011 0.000 0.869 834 T HN 0.371 nan 8.240 nan 0.000 0.437 835 G N -0.032 108.782 108.800 0.023 0.000 2.462 835 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 835 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 835 G C 1.312 176.234 174.900 0.035 0.000 1.121 835 G CA 0.659 45.765 45.100 0.010 0.000 0.758 835 G HN 0.479 nan 8.290 nan 0.000 0.559 836 Y N 1.062 121.333 120.300 -0.047 0.000 2.109 836 Y HA 0.005 4.554 4.550 -0.000 0.000 0.281 836 Y C 2.691 178.561 175.900 -0.051 0.000 1.113 836 Y CA 1.098 59.170 58.100 -0.047 0.000 1.098 836 Y CB -0.473 37.961 38.460 -0.044 0.000 0.996 836 Y HN 0.125 nan 8.280 nan 0.000 0.485 837 I N 0.307 120.886 120.570 0.016 0.000 2.091 837 I HA -0.460 3.709 4.170 -0.000 0.000 0.240 837 I C 2.655 178.690 176.117 -0.136 0.000 1.046 837 I CA 2.001 63.256 61.300 -0.075 0.000 1.306 837 I CB -0.649 37.352 38.000 0.001 0.000 1.018 837 I HN 0.410 nan 8.210 nan 0.000 0.404 838 Q N 1.136 120.878 119.800 -0.097 0.000 2.062 838 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 838 Q C 2.330 178.250 176.000 -0.133 0.000 0.996 838 Q CA 1.998 57.739 55.803 -0.105 0.000 0.859 838 Q CB -0.220 28.464 28.738 -0.090 0.000 0.920 838 Q HN 0.489 nan 8.270 nan 0.000 0.415 839 R N -0.522 119.882 120.500 -0.159 0.000 2.081 839 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 839 R C 2.338 178.508 176.300 -0.217 0.000 1.131 839 R CA 0.927 56.923 56.100 -0.173 0.000 0.960 839 R CB -0.152 30.043 30.300 -0.174 0.000 0.856 839 R HN 0.134 nan 8.270 nan 0.000 0.436 840 R N 0.789 121.097 120.500 -0.319 0.000 2.120 840 R HA -0.060 4.279 4.340 -0.000 0.000 0.234 840 R C 2.240 178.430 176.300 -0.184 0.000 1.123 840 R CA 1.017 56.928 56.100 -0.315 0.000 0.975 840 R CB -0.579 29.451 30.300 -0.450 0.000 0.866 840 R HN 0.307 nan 8.270 nan 0.000 0.446 841 L N 0.014 121.148 121.223 -0.149 0.000 2.072 841 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 841 L C 2.354 179.170 176.870 -0.089 0.000 1.079 841 L CA 0.803 55.582 54.840 -0.102 0.000 0.752 841 L CB -0.425 41.581 42.059 -0.088 0.000 0.906 841 L HN -0.079 nan 8.230 nan 0.000 0.436 842 V N 0.317 120.172 119.914 -0.098 0.000 2.490 842 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 842 V C 2.537 178.585 176.094 -0.077 0.000 1.061 842 V CA 1.861 64.111 62.300 -0.084 0.000 1.064 842 V CB -0.614 31.157 31.823 -0.087 0.000 0.670 842 V HN 0.475 nan 8.190 nan 0.000 0.461 843 K N 0.657 121.003 120.400 -0.090 0.000 2.057 843 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 843 K C 2.120 178.686 176.600 -0.056 0.000 1.050 843 K CA 1.579 57.819 56.287 -0.078 0.000 0.935 843 K CB -0.281 32.162 32.500 -0.096 0.000 0.715 843 K HN 0.420 nan 8.250 nan 0.000 0.439 844 A N 0.950 123.737 122.820 -0.055 0.000 1.968 844 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 844 A C 1.780 179.349 177.584 -0.026 0.000 1.169 844 A CA 1.008 53.025 52.037 -0.033 0.000 0.638 844 A CB -0.210 18.772 19.000 -0.029 0.000 0.812 844 A HN 0.365 nan 8.150 nan 0.000 0.446 845 L N -1.651 119.552 121.223 -0.033 0.000 2.766 845 L HA 0.245 4.585 4.340 -0.000 0.000 0.242 845 L C 1.781 178.633 176.870 -0.030 0.000 1.136 845 L CA 0.399 55.224 54.840 -0.026 0.000 0.933 845 L CB -0.246 41.800 42.059 -0.022 0.000 1.241 845 L HN 0.419 nan 8.230 nan 0.000 0.522 846 E N 2.093 122.271 120.200 -0.037 0.000 2.273 846 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 846 E C 1.135 177.717 176.600 -0.030 0.000 1.002 846 E CA 1.682 58.059 56.400 -0.039 0.000 0.828 846 E CB 0.178 29.852 29.700 -0.044 0.000 0.747 846 E HN 0.669 nan 8.360 nan 0.000 0.491 847 D N -0.293 120.094 120.400 -0.021 0.000 2.369 847 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 847 D C 0.644 176.944 176.300 0.001 0.000 1.077 847 D CA -0.192 53.802 54.000 -0.010 0.000 0.842 847 D CB 0.014 40.810 40.800 -0.006 0.000 0.947 847 D HN 0.180 nan 8.370 nan 0.000 0.509 848 I N 1.888 122.453 120.570 -0.008 0.000 2.416 848 I HA 0.229 4.398 4.170 -0.000 0.000 0.288 848 I C 0.553 176.667 176.117 -0.005 0.000 1.051 848 I CA -0.320 60.978 61.300 -0.003 0.000 1.375 848 I CB 1.062 39.057 38.000 -0.010 0.000 1.407 848 I HN 0.057 nan 8.210 nan 0.000 0.516 849 M N 5.854 125.473 119.600 0.031 0.000 2.716 849 M HA 0.624 5.104 4.480 -0.000 0.000 0.278 849 M C -1.880 174.459 176.300 0.066 0.000 1.281 849 M CA -0.781 54.524 55.300 0.009 0.000 0.814 849 M CB 2.334 34.933 32.600 -0.002 0.000 1.719 849 M HN 0.127 nan 8.290 nan 0.000 0.457 850 V N 2.291 122.183 119.914 -0.037 0.000 2.370 850 V HA 0.429 4.549 4.120 -0.000 0.000 0.279 850 V C -0.231 175.866 176.094 0.005 0.000 1.029 850 V CA -0.382 61.900 62.300 -0.029 0.000 0.870 850 V CB 0.853 32.559 31.823 -0.195 0.000 0.984 850 V HN 0.769 nan 8.190 nan 0.000 0.451 851 H N 3.176 122.178 119.070 -0.115 0.000 2.517 851 H HA 0.222 4.777 4.556 -0.000 0.000 0.346 851 H C 0.110 175.374 175.328 -0.107 0.000 1.222 851 H CA -0.452 55.538 56.048 -0.097 0.000 1.314 851 H CB 1.444 31.208 29.762 0.002 0.000 1.609 851 H HN 0.598 nan 8.280 nan 0.000 0.571 852 Y N 0.587 120.940 120.300 0.090 0.000 2.556 852 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 852 Y C 1.686 177.618 175.900 0.053 0.000 1.149 852 Y CA 0.982 59.104 58.100 0.037 0.000 1.329 852 Y CB -0.035 38.428 38.460 0.004 0.000 0.975 852 Y HN 0.607 nan 8.280 nan 0.000 0.561 853 D N -1.921 118.600 120.400 0.201 0.000 2.336 853 D HA -0.058 4.582 4.640 -0.000 0.000 0.228 853 D C 0.196 176.564 176.300 0.114 0.000 1.120 853 D CA 0.058 54.143 54.000 0.143 0.000 0.839 853 D CB -0.664 40.212 40.800 0.127 0.000 0.932 853 D HN 0.114 nan 8.370 nan 0.000 0.509 854 N N -0.606 118.152 118.700 0.097 0.000 2.741 854 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 854 N C -0.691 174.875 175.510 0.093 0.000 1.115 854 N CA 0.969 54.067 53.050 0.080 0.000 0.724 854 N CB -1.352 37.188 38.487 0.088 0.000 1.090 854 N HN 0.323 nan 8.380 nan 0.000 0.558 855 T N -0.353 114.247 114.554 0.077 0.000 2.923 855 T HA 0.466 4.816 4.350 -0.000 0.000 0.281 855 T C 0.191 174.894 174.700 0.004 0.000 0.995 855 T CA 0.065 62.182 62.100 0.029 0.000 0.985 855 T CB 1.445 70.299 68.868 -0.023 0.000 1.114 855 T HN 0.003 nan 8.240 nan 0.000 0.548 856 T N 2.983 117.507 114.554 -0.049 0.000 2.892 856 T HA 0.520 4.869 4.350 -0.000 0.000 0.311 856 T C -0.271 174.353 174.700 -0.125 0.000 1.033 856 T CA -0.610 61.467 62.100 -0.039 0.000 0.991 856 T CB 0.553 69.447 68.868 0.043 0.000 0.981 856 T HN 0.386 nan 8.240 nan 0.000 0.457 857 R N 1.950 122.346 120.500 -0.173 0.000 2.950 857 R HA 0.592 4.932 4.340 -0.000 0.000 0.253 857 R C 0.145 176.378 176.300 -0.112 0.000 1.168 857 R CA -1.156 54.821 56.100 -0.205 0.000 1.014 857 R CB 1.495 31.585 30.300 -0.349 0.000 1.228 857 R HN 0.721 nan 8.270 nan 0.000 0.487 858 N N -1.829 116.816 118.700 -0.091 0.000 2.671 858 N HA 0.116 4.855 4.740 -0.000 0.000 0.303 858 N C 0.558 176.058 175.510 -0.018 0.000 1.277 858 N CA -0.510 52.519 53.050 -0.035 0.000 0.933 858 N CB 1.173 39.641 38.487 -0.030 0.000 1.190 858 N HN 0.489 nan 8.380 nan 0.000 0.600 859 S N -0.228 115.475 115.700 0.004 0.000 2.440 859 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 859 S C 1.623 176.226 174.600 0.006 0.000 1.010 859 S CA 0.731 58.941 58.200 0.017 0.000 0.972 859 S CB -0.670 62.538 63.200 0.012 0.000 0.774 859 S HN 0.533 nan 8.310 nan 0.000 0.501 860 L N 0.807 122.024 121.223 -0.010 0.000 2.554 860 L HA 0.241 4.581 4.340 -0.000 0.000 0.226 860 L C 2.006 178.860 176.870 -0.026 0.000 1.137 860 L CA 0.488 55.321 54.840 -0.012 0.000 0.863 860 L CB -0.711 41.341 42.059 -0.011 0.000 0.985 860 L HN 0.637 nan 8.230 nan 0.000 0.451 861 G N -0.282 108.486 108.800 -0.054 0.000 2.176 861 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.253 861 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.253 861 G C 0.118 174.950 174.900 -0.114 0.000 0.979 861 G CA -0.235 44.809 45.100 -0.093 0.000 0.641 861 G HN 0.362 nan 8.290 nan 0.000 0.530 862 N N 0.429 119.072 118.700 -0.095 0.000 2.513 862 N HA 0.345 5.085 4.740 -0.000 0.000 0.268 862 N C 0.530 175.943 175.510 -0.160 0.000 1.180 862 N CA 0.048 53.038 53.050 -0.100 0.000 0.948 862 N CB 1.659 40.107 38.487 -0.065 0.000 1.083 862 N HN 0.127 nan 8.380 nan 0.000 0.455 863 V N 3.529 123.316 119.914 -0.211 0.000 2.508 863 V HA 0.112 4.232 4.120 -0.000 0.000 0.281 863 V C 1.560 177.474 176.094 -0.299 0.000 1.041 863 V CA 0.050 62.137 62.300 -0.355 0.000 1.016 863 V CB 0.369 31.793 31.823 -0.664 0.000 0.984 863 V HN 0.602 nan 8.190 nan 0.000 0.478 864 I N 2.555 122.978 120.570 -0.246 0.000 3.445 864 I HA 0.181 4.350 4.170 -0.000 0.000 0.288 864 I C 0.608 176.645 176.117 -0.133 0.000 1.198 864 I CA 0.482 61.696 61.300 -0.144 0.000 1.417 864 I CB 0.392 38.343 38.000 -0.080 0.000 1.205 864 I HN 0.576 nan 8.210 nan 0.000 0.448 865 Q N -0.115 119.586 119.800 -0.165 0.000 2.275 865 Q HA 0.286 4.626 4.340 -0.000 0.000 0.258 865 Q C -0.457 175.479 176.000 -0.106 0.000 0.960 865 Q CA -0.425 55.336 55.803 -0.069 0.000 0.801 865 Q CB 2.131 30.886 28.738 0.028 0.000 1.302 865 Q HN 0.064 nan 8.270 nan 0.000 0.433 866 F N 1.446 121.413 119.950 0.029 0.000 2.333 866 F HA -0.042 4.484 4.527 -0.000 0.000 0.300 866 F C 0.870 176.698 175.800 0.047 0.000 1.083 866 F CA 1.086 59.105 58.000 0.030 0.000 1.395 866 F CB 0.349 39.362 39.000 0.023 0.000 1.056 866 F HN 0.370 nan 8.300 nan 0.000 0.529 867 I N -2.592 118.092 120.570 0.190 0.000 2.644 867 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 867 I C -1.005 175.204 176.117 0.153 0.000 1.180 867 I CA -1.531 59.863 61.300 0.158 0.000 1.040 867 I CB 1.144 39.227 38.000 0.138 0.000 1.255 867 I HN -0.319 nan 8.210 nan 0.000 0.422 868 Y N 4.784 125.101 120.300 0.029 0.000 2.610 868 Y HA 0.333 4.883 4.550 -0.000 0.000 0.332 868 Y C 1.435 177.345 175.900 0.016 0.000 1.201 868 Y CA 1.258 59.363 58.100 0.009 0.000 1.465 868 Y CB 0.713 39.173 38.460 0.000 0.000 1.283 868 Y HN 0.917 nan 8.280 nan 0.000 0.563 869 G N 4.117 112.559 108.800 -0.596 0.000 2.200 869 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.267 869 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.267 869 G C 0.593 175.421 174.900 -0.120 0.000 0.993 869 G CA 0.909 45.698 45.100 -0.519 0.000 0.701 869 G HN 0.993 nan 8.290 nan 0.000 0.524 870 E N -2.345 117.835 120.200 -0.034 0.000 4.005 870 E HA -0.330 4.019 4.350 -0.000 0.000 0.349 870 E C 0.933 177.564 176.600 0.053 0.000 0.635 870 E CA 1.735 58.167 56.400 0.054 0.000 1.238 870 E CB -1.247 28.512 29.700 0.099 0.000 1.698 870 E HN 0.825 nan 8.360 nan 0.000 0.418 871 D N -0.678 119.735 120.400 0.021 0.000 2.500 871 D HA 0.221 4.860 4.640 -0.000 0.000 0.217 871 D C 1.315 177.638 176.300 0.039 0.000 1.159 871 D CA 0.689 54.714 54.000 0.042 0.000 0.828 871 D CB 0.236 41.056 40.800 0.035 0.000 1.039 871 D HN 0.304 nan 8.370 nan 0.000 0.512 872 G N 0.341 109.173 108.800 0.054 0.000 2.196 872 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.268 872 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.268 872 G C 0.252 175.194 174.900 0.071 0.000 0.975 872 G CA 0.826 45.984 45.100 0.098 0.000 0.648 872 G HN 0.345 nan 8.290 nan 0.000 0.538 873 M N 1.060 120.660 119.600 -0.001 0.000 2.202 873 M HA 0.450 4.929 4.480 -0.000 0.000 0.316 873 M C 0.244 176.593 176.300 0.082 0.000 1.138 873 M CA -1.081 54.192 55.300 -0.046 0.000 1.151 873 M CB 0.786 33.320 32.600 -0.109 0.000 1.422 873 M HN 0.177 nan 8.290 nan 0.000 0.471 874 D N 1.341 121.786 120.400 0.075 0.000 2.392 874 D HA 0.373 5.013 4.640 -0.000 0.000 0.228 874 D C 0.467 176.845 176.300 0.131 0.000 1.074 874 D CA -0.012 54.087 54.000 0.165 0.000 0.838 874 D CB 1.348 42.239 40.800 0.151 0.000 1.067 874 D HN 0.712 nan 8.370 nan 0.000 0.511 875 A N 3.933 126.817 122.820 0.106 0.000 2.023 875 A HA -0.266 4.054 4.320 -0.000 0.000 0.223 875 A C 1.978 179.575 177.584 0.023 0.000 1.180 875 A CA 2.380 54.444 52.037 0.045 0.000 0.659 875 A CB -0.451 18.567 19.000 0.030 0.000 0.817 875 A HN 0.666 nan 8.150 nan 0.000 0.466 876 A N -2.431 120.373 122.820 -0.027 0.000 2.167 876 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 876 A C 1.581 178.986 177.584 -0.298 0.000 1.151 876 A CA 0.960 52.892 52.037 -0.175 0.000 0.735 876 A CB -0.531 18.311 19.000 -0.263 0.000 0.802 876 A HN 0.689 nan 8.150 nan 0.000 0.467 877 H N -1.069 117.988 119.070 -0.021 0.000 2.505 877 H HA 0.371 4.926 4.556 -0.000 0.000 0.289 877 H C -0.306 175.011 175.328 -0.017 0.000 1.052 877 H CA -0.066 55.965 56.048 -0.029 0.000 1.156 877 H CB 0.198 29.909 29.762 -0.086 0.000 1.507 877 H HN 0.367 nan 8.280 nan 0.000 0.548 878 I N 1.321 121.940 120.570 0.081 0.000 2.607 878 I HA 0.213 4.383 4.170 -0.000 0.000 0.305 878 I C -0.017 176.177 176.117 0.128 0.000 0.995 878 I CA -0.376 60.977 61.300 0.089 0.000 1.148 878 I CB 1.869 39.923 38.000 0.091 0.000 1.323 878 I HN 0.036 nan 8.210 nan 0.000 0.461 879 E N 3.298 123.566 120.200 0.112 0.000 2.413 879 E HA 0.323 4.673 4.350 -0.000 0.000 0.277 879 E C -1.398 175.239 176.600 0.061 0.000 0.958 879 E CA -1.130 55.320 56.400 0.083 0.000 0.779 879 E CB 2.580 32.281 29.700 0.002 0.000 1.278 879 E HN 0.335 nan 8.360 nan 0.000 0.456 880 K N 1.827 122.234 120.400 0.011 0.000 2.297 880 K HA 0.183 4.503 4.320 -0.000 0.000 0.286 880 K C -0.758 175.828 176.600 -0.024 0.000 1.053 880 K CA 0.219 56.489 56.287 -0.028 0.000 0.940 880 K CB 0.627 33.060 32.500 -0.111 0.000 1.019 880 K HN 0.341 nan 8.250 nan 0.000 0.475 881 Q N 1.266 121.071 119.800 0.009 0.000 2.456 881 Q HA 0.272 4.612 4.340 -0.000 0.000 0.283 881 Q C -1.211 174.799 176.000 0.016 0.000 1.084 881 Q CA -1.090 54.729 55.803 0.026 0.000 0.801 881 Q CB 2.213 31.001 28.738 0.083 0.000 1.434 881 Q HN 0.705 nan 8.270 nan 0.000 0.419 882 S N 0.996 116.707 115.700 0.018 0.000 2.442 882 S HA 0.497 4.967 4.470 -0.000 0.000 0.297 882 S C -0.299 174.334 174.600 0.055 0.000 1.131 882 S CA -0.764 57.443 58.200 0.012 0.000 1.092 882 S CB 0.208 63.404 63.200 -0.007 0.000 0.998 882 S HN 0.508 nan 8.310 nan 0.000 0.478 883 L N 4.124 125.382 121.223 0.058 0.000 2.385 883 L HA 0.248 4.587 4.340 -0.000 0.000 0.285 883 L C 0.852 177.766 176.870 0.073 0.000 1.125 883 L CA -0.593 54.291 54.840 0.073 0.000 0.890 883 L CB -0.142 41.953 42.059 0.059 0.000 1.251 883 L HN 0.715 nan 8.230 nan 0.000 0.445 884 D N 1.074 121.543 120.400 0.114 0.000 2.116 884 D HA -0.179 4.460 4.640 -0.000 0.000 0.193 884 D C 1.800 178.172 176.300 0.119 0.000 0.998 884 D CA 1.652 55.736 54.000 0.139 0.000 0.836 884 D CB 0.049 40.988 40.800 0.231 0.000 0.951 884 D HN 0.550 nan 8.370 nan 0.000 0.449 885 T N 1.692 116.305 114.554 0.098 0.000 2.714 885 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 885 T C 2.135 176.810 174.700 -0.042 0.000 1.036 885 T CA 0.774 62.888 62.100 0.023 0.000 1.148 885 T CB -0.271 68.599 68.868 0.004 0.000 0.856 885 T HN 0.210 nan 8.240 nan 0.000 0.462 886 I N 0.475 121.039 120.570 -0.009 0.000 2.090 886 I HA -0.063 4.107 4.170 -0.000 0.000 0.236 886 I C 2.030 178.162 176.117 0.024 0.000 1.064 886 I CA 0.934 62.228 61.300 -0.009 0.000 1.324 886 I CB -1.114 36.887 38.000 0.001 0.000 1.044 886 I HN 0.294 nan 8.210 nan 0.000 0.399 887 G N -0.285 108.538 108.800 0.037 0.000 2.647 887 G HA2 0.372 4.331 3.960 -0.000 0.000 0.271 887 G HA3 0.372 4.331 3.960 -0.000 0.000 0.271 887 G C 0.325 175.279 174.900 0.090 0.000 1.300 887 G CA 0.309 45.455 45.100 0.076 0.000 0.997 887 G HN 0.728 nan 8.290 nan 0.000 0.533 888 G N -1.550 107.311 108.800 0.102 0.000 2.855 888 G HA2 0.217 4.177 3.960 -0.000 0.000 0.352 888 G HA3 0.217 4.177 3.960 -0.000 0.000 0.352 888 G C 0.305 175.248 174.900 0.071 0.000 1.415 888 G CA 0.458 45.613 45.100 0.092 0.000 0.871 888 G HN 2.056 nan 8.290 nan 0.000 0.543 889 S N -0.525 115.215 115.700 0.067 0.000 2.632 889 S HA 0.523 4.993 4.470 -0.000 0.000 0.271 889 S C 0.952 175.593 174.600 0.068 0.000 1.260 889 S CA 0.379 58.605 58.200 0.044 0.000 1.010 889 S CB 1.749 64.974 63.200 0.042 0.000 0.965 889 S HN 0.596 nan 8.310 nan 0.000 0.534 890 D N 1.225 121.648 120.400 0.038 0.000 2.218 890 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 890 D C 2.050 178.455 176.300 0.176 0.000 0.976 890 D CA 1.451 55.499 54.000 0.079 0.000 0.853 890 D CB -0.459 40.359 40.800 0.030 0.000 0.939 890 D HN 0.697 nan 8.370 nan 0.000 0.481 891 A N 1.417 124.304 122.820 0.111 0.000 1.855 891 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 891 A C 2.379 180.028 177.584 0.108 0.000 1.191 891 A CA 1.913 54.005 52.037 0.091 0.000 0.613 891 A CB -0.631 18.400 19.000 0.052 0.000 0.829 891 A HN 0.233 nan 8.150 nan 0.000 0.442 892 A N -1.480 121.412 122.820 0.120 0.000 1.969 892 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 892 A C 1.985 179.683 177.584 0.190 0.000 1.169 892 A CA 1.490 53.601 52.037 0.124 0.000 0.635 892 A CB -0.681 18.387 19.000 0.113 0.000 0.810 892 A HN 0.654 nan 8.150 nan 0.000 0.445 893 F N 0.777 120.765 119.950 0.062 0.000 2.134 893 F HA -0.140 4.386 4.527 -0.000 0.000 0.299 893 F C 2.123 178.012 175.800 0.148 0.000 1.097 893 F CA 2.137 60.170 58.000 0.055 0.000 1.264 893 F CB -0.220 38.763 39.000 -0.029 0.000 1.001 893 F HN 0.415 nan 8.300 nan 0.000 0.479 894 E N 0.025 120.319 120.200 0.156 0.000 2.072 894 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 894 E C 2.112 178.701 176.600 -0.018 0.000 0.982 894 E CA 0.773 57.212 56.400 0.066 0.000 0.803 894 E CB -0.063 29.692 29.700 0.091 0.000 0.755 894 E HN 0.368 nan 8.360 nan 0.000 0.453 895 K N 0.152 120.550 120.400 -0.003 0.000 2.280 895 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 895 K C 2.198 178.786 176.600 -0.019 0.000 1.047 895 K CA 0.665 56.934 56.287 -0.030 0.000 0.942 895 K CB 0.039 32.536 32.500 -0.006 0.000 0.739 895 K HN 0.034 nan 8.250 nan 0.000 0.457 896 R N -0.493 120.025 120.500 0.030 0.000 2.062 896 R HA -0.021 4.319 4.340 -0.000 0.000 0.218 896 R C 1.404 177.670 176.300 -0.057 0.000 1.161 896 R CA 0.970 57.081 56.100 0.018 0.000 0.994 896 R CB 0.122 30.532 30.300 0.183 0.000 0.888 896 R HN 0.114 nan 8.270 nan 0.000 0.442 897 Y N -0.137 120.027 120.300 -0.227 0.000 2.478 897 Y HA 0.243 4.793 4.550 -0.000 0.000 0.261 897 Y C 0.441 176.314 175.900 -0.045 0.000 1.127 897 Y CA -0.250 57.739 58.100 -0.184 0.000 1.288 897 Y CB 0.003 38.250 38.460 -0.355 0.000 1.084 897 Y HN -0.147 nan 8.280 nan 0.000 0.530 898 R N 1.241 121.790 120.500 0.081 0.000 2.347 898 R HA 0.404 4.744 4.340 -0.000 0.000 0.304 898 R C -1.410 174.824 176.300 -0.110 0.000 1.072 898 R CA -0.121 55.917 56.100 -0.104 0.000 0.980 898 R CB 0.111 30.221 30.300 -0.317 0.000 0.986 898 R HN -0.090 nan 8.270 nan 0.000 0.448 899 V N 4.677 124.525 119.914 -0.110 0.000 2.525 899 V HA 0.272 4.391 4.120 -0.000 0.000 0.299 899 V C -1.023 175.023 176.094 -0.080 0.000 1.034 899 V CA -0.713 61.545 62.300 -0.070 0.000 0.863 899 V CB 1.821 33.619 31.823 -0.041 0.000 0.999 899 V HN 0.766 nan 8.190 nan 0.000 0.423 900 D N 3.902 124.272 120.400 -0.050 0.000 2.400 900 D HA 0.365 5.005 4.640 -0.000 0.000 0.272 900 D C 1.027 177.313 176.300 -0.023 0.000 1.220 900 D CA -0.346 53.629 54.000 -0.041 0.000 0.897 900 D CB 0.951 41.734 40.800 -0.029 0.000 1.134 900 D HN 0.377 nan 8.370 nan 0.000 0.507 901 L N 1.414 122.621 121.223 -0.027 0.000 2.189 901 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 901 L C 1.461 178.316 176.870 -0.025 0.000 1.097 901 L CA 0.915 55.740 54.840 -0.025 0.000 0.764 901 L CB -0.267 41.777 42.059 -0.025 0.000 0.900 901 L HN 0.435 nan 8.230 nan 0.000 0.436 902 L N 0.208 121.417 121.223 -0.024 0.000 2.939 902 L HA 0.129 4.469 4.340 -0.000 0.000 0.239 902 L C -0.037 176.817 176.870 -0.026 0.000 1.325 902 L CA 0.016 54.842 54.840 -0.023 0.000 1.170 902 L CB -0.625 41.422 42.059 -0.020 0.000 1.538 902 L HN 0.218 nan 8.230 nan 0.000 0.452 903 N N -0.894 117.787 118.700 -0.032 0.000 3.153 903 N HA 0.043 4.783 4.740 -0.000 0.000 0.208 903 N C 0.672 176.132 175.510 -0.083 0.000 1.462 903 N CA 0.131 53.151 53.050 -0.050 0.000 0.754 903 N CB 0.509 38.976 38.487 -0.034 0.000 1.558 903 N HN 0.039 nan 8.380 nan 0.000 0.605 904 T N 0.129 114.637 114.554 -0.077 0.000 2.142 904 T HA -0.362 3.988 4.350 -0.000 0.000 0.179 904 T C 0.961 175.593 174.700 -0.114 0.000 1.682 904 T CA 2.226 64.275 62.100 -0.086 0.000 0.955 904 T CB -0.755 68.060 68.868 -0.088 0.000 0.784 904 T HN 0.548 nan 8.240 nan 0.000 0.441 905 D N 0.978 121.258 120.400 -0.200 0.000 2.120 905 D HA -0.095 4.545 4.640 -0.000 0.000 0.191 905 D C 1.285 177.461 176.300 -0.207 0.000 0.994 905 D CA 1.351 55.179 54.000 -0.286 0.000 0.838 905 D CB -0.502 39.958 40.800 -0.567 0.000 0.976 905 D HN 0.598 nan 8.370 nan 0.000 0.447 906 H N 0.393 119.437 119.070 -0.043 0.000 2.794 906 H HA 0.324 4.879 4.556 -0.000 0.000 0.256 906 H C 0.125 175.417 175.328 -0.060 0.000 1.637 906 H CA 0.178 56.194 56.048 -0.054 0.000 1.222 906 H CB -0.780 28.943 29.762 -0.066 0.000 1.545 906 H HN -0.039 nan 8.280 nan 0.000 0.518 907 T N -0.138 114.433 114.554 0.028 0.000 2.773 907 T HA 0.397 4.747 4.350 -0.000 0.000 0.278 907 T C 0.592 175.283 174.700 -0.014 0.000 1.011 907 T CA -0.909 61.188 62.100 -0.004 0.000 1.014 907 T CB 1.633 70.488 68.868 -0.021 0.000 1.293 907 T HN 0.141 nan 8.240 nan 0.000 0.554 908 L N 2.619 123.827 121.223 -0.026 0.000 2.342 908 L HA 0.216 4.556 4.340 -0.000 0.000 0.285 908 L C 0.689 177.542 176.870 -0.029 0.000 1.095 908 L CA -0.473 54.347 54.840 -0.032 0.000 0.843 908 L CB 0.045 42.079 42.059 -0.041 0.000 1.201 908 L HN 0.651 nan 8.230 nan 0.000 0.445 909 D N 7.156 127.540 120.400 -0.026 0.000 2.533 909 D HA -0.031 4.609 4.640 -0.000 0.000 0.236 909 D C -1.375 174.911 176.300 -0.023 0.000 1.137 909 D CA -1.015 52.971 54.000 -0.023 0.000 0.867 909 D CB 1.465 42.254 40.800 -0.019 0.000 1.170 909 D HN 0.333 nan 8.370 nan 0.000 0.474 910 P HA -0.143 nan 4.420 nan 0.000 0.234 910 P C 1.047 178.338 177.300 -0.016 0.000 1.162 910 P CA 0.623 63.712 63.100 -0.020 0.000 0.759 910 P CB 0.068 31.757 31.700 -0.018 0.000 0.813 911 S N -0.429 115.263 115.700 -0.013 0.000 2.395 911 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 911 S C 2.046 176.643 174.600 -0.005 0.000 1.027 911 S CA 0.437 58.633 58.200 -0.007 0.000 0.965 911 S CB -1.362 61.836 63.200 -0.003 0.000 0.812 911 S HN 0.121 nan 8.310 nan 0.000 0.482 912 L N -0.022 121.193 121.223 -0.012 0.000 2.072 912 L HA 0.246 4.586 4.340 -0.000 0.000 0.205 912 L C 0.829 177.686 176.870 -0.022 0.000 1.079 912 L CA 0.515 55.346 54.840 -0.015 0.000 0.752 912 L CB -0.392 41.650 42.059 -0.029 0.000 0.906 912 L HN 0.307 nan 8.230 nan 0.000 0.436 913 L N -0.912 120.294 121.223 -0.029 0.000 2.346 913 L HA 0.256 4.596 4.340 -0.000 0.000 0.274 913 L C 0.890 177.742 176.870 -0.029 0.000 1.007 913 L CA -0.073 54.745 54.840 -0.035 0.000 0.818 913 L CB 1.599 43.631 42.059 -0.046 0.000 1.284 913 L HN -0.032 nan 8.230 nan 0.000 0.424 914 E N 0.660 120.842 120.200 -0.030 0.000 2.017 914 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 914 E C 1.110 177.696 176.600 -0.024 0.000 0.997 914 E CA 1.707 58.092 56.400 -0.024 0.000 0.804 914 E CB 0.158 29.844 29.700 -0.024 0.000 0.757 914 E HN 0.805 nan 8.360 nan 0.000 0.448 915 S N -0.425 115.258 115.700 -0.029 0.000 2.803 915 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 915 S C 1.551 176.135 174.600 -0.028 0.000 0.953 915 S CA 0.176 58.360 58.200 -0.027 0.000 0.983 915 S CB 0.428 63.611 63.200 -0.029 0.000 0.784 915 S HN 0.306 nan 8.310 nan 0.000 0.498 916 G N 2.441 111.224 108.800 -0.029 0.000 2.432 916 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.219 916 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.219 916 G C 1.664 176.548 174.900 -0.025 0.000 1.135 916 G CA 0.935 46.018 45.100 -0.029 0.000 0.767 916 G HN 0.753 nan 8.290 nan 0.000 0.550 917 S N 1.420 117.106 115.700 -0.022 0.000 2.371 917 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 917 S C 1.895 176.483 174.600 -0.020 0.000 1.029 917 S CA 1.361 59.549 58.200 -0.020 0.000 0.978 917 S CB -0.373 62.817 63.200 -0.017 0.000 0.833 917 S HN 0.703 nan 8.310 nan 0.000 0.466 918 E N 0.529 120.717 120.200 -0.019 0.000 2.445 918 E HA 0.281 4.631 4.350 -0.000 0.000 0.189 918 E C 1.301 177.889 176.600 -0.020 0.000 1.069 918 E CA 0.041 56.431 56.400 -0.018 0.000 0.871 918 E CB -0.273 29.417 29.700 -0.016 0.000 0.991 918 E HN 0.557 nan 8.360 nan 0.000 0.481 919 I N 0.469 121.026 120.570 -0.022 0.000 3.939 919 I HA 0.067 4.237 4.170 -0.000 0.000 0.313 919 I C 0.881 176.984 176.117 -0.023 0.000 1.274 919 I CA -0.374 60.911 61.300 -0.024 0.000 1.301 919 I CB 0.629 38.612 38.000 -0.028 0.000 1.105 919 I HN 0.249 nan 8.210 nan 0.000 0.427 920 L N 2.875 124.084 121.223 -0.024 0.000 2.827 920 L HA -0.033 4.307 4.340 -0.000 0.000 0.280 920 L C 0.921 177.777 176.870 -0.022 0.000 1.122 920 L CA 1.043 55.868 54.840 -0.024 0.000 1.044 920 L CB -0.520 41.524 42.059 -0.025 0.000 1.402 920 L HN 0.520 nan 8.230 nan 0.000 0.467 921 G N 2.316 111.103 108.800 -0.022 0.000 2.192 921 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.193 921 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.193 921 G C 0.165 175.055 174.900 -0.017 0.000 0.999 921 G CA -0.029 45.059 45.100 -0.019 0.000 0.659 921 G HN 0.655 nan 8.290 nan 0.000 0.503 922 D N 1.409 121.799 120.400 -0.017 0.000 2.346 922 D HA 0.237 4.877 4.640 -0.000 0.000 0.267 922 D C 2.039 178.331 176.300 -0.013 0.000 1.320 922 D CA -0.070 53.921 54.000 -0.015 0.000 0.951 922 D CB 0.207 40.997 40.800 -0.016 0.000 1.079 922 D HN 0.311 nan 8.370 nan 0.000 0.509 923 L N 3.819 125.036 121.223 -0.011 0.000 2.012 923 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 923 L C 2.429 179.295 176.870 -0.008 0.000 1.073 923 L CA 1.271 56.105 54.840 -0.010 0.000 0.748 923 L CB -0.317 41.737 42.059 -0.008 0.000 0.891 923 L HN 0.331 nan 8.230 nan 0.000 0.431 924 K N -0.116 120.279 120.400 -0.007 0.000 2.209 924 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 924 K C 2.072 178.668 176.600 -0.006 0.000 1.048 924 K CA 0.980 57.263 56.287 -0.006 0.000 0.940 924 K CB -0.051 32.446 32.500 -0.006 0.000 0.729 924 K HN 0.298 nan 8.250 nan 0.000 0.451 925 L N 0.385 121.603 121.223 -0.009 0.000 2.162 925 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 925 L C 2.502 179.367 176.870 -0.008 0.000 1.086 925 L CA 0.678 55.511 54.840 -0.011 0.000 0.778 925 L CB -0.249 41.800 42.059 -0.016 0.000 0.928 925 L HN 0.214 nan 8.230 nan 0.000 0.446 926 Q N 0.058 119.852 119.800 -0.009 0.000 2.096 926 Q HA -0.179 4.160 4.340 -0.000 0.000 0.204 926 Q C 2.325 178.325 176.000 0.000 0.000 0.982 926 Q CA 1.402 57.200 55.803 -0.009 0.000 0.850 926 Q CB -0.512 28.218 28.738 -0.012 0.000 0.901 926 Q HN 0.316 nan 8.270 nan 0.000 0.422 927 V N 1.156 121.071 119.914 0.002 0.000 2.278 927 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 927 V C 2.495 178.597 176.094 0.014 0.000 1.062 927 V CA 1.712 64.016 62.300 0.007 0.000 1.038 927 V CB -0.644 31.182 31.823 0.005 0.000 0.646 927 V HN 0.309 nan 8.190 nan 0.000 0.447 928 L N -1.182 120.047 121.223 0.010 0.000 1.994 928 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 928 L C 2.498 179.382 176.870 0.024 0.000 1.071 928 L CA 1.274 56.122 54.840 0.013 0.000 0.745 928 L CB -0.558 41.505 42.059 0.005 0.000 0.892 928 L HN 0.293 nan 8.230 nan 0.000 0.431 929 L N -0.323 120.911 121.223 0.019 0.000 2.012 929 L HA -0.270 4.069 4.340 -0.000 0.000 0.210 929 L C 2.360 179.269 176.870 0.065 0.000 1.073 929 L CA 1.869 56.728 54.840 0.032 0.000 0.748 929 L CB -1.405 40.658 42.059 0.006 0.000 0.891 929 L HN 0.342 nan 8.230 nan 0.000 0.431 930 D N -0.085 120.344 120.400 0.048 0.000 2.104 930 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 930 D C 2.093 178.455 176.300 0.104 0.000 0.994 930 D CA 1.089 55.134 54.000 0.075 0.000 0.830 930 D CB 0.058 40.883 40.800 0.041 0.000 0.959 930 D HN 0.457 nan 8.370 nan 0.000 0.452 931 E N 0.461 120.700 120.200 0.066 0.000 2.204 931 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 931 E C 1.948 178.587 176.600 0.064 0.000 0.990 931 E CA 0.588 57.021 56.400 0.055 0.000 0.821 931 E CB 0.054 29.773 29.700 0.032 0.000 0.750 931 E HN 0.462 nan 8.360 nan 0.000 0.477 932 E N 0.606 120.854 120.200 0.079 0.000 2.008 932 E HA -0.234 4.116 4.350 -0.000 0.000 0.191 932 E C 2.007 178.674 176.600 0.111 0.000 0.986 932 E CA 0.724 57.173 56.400 0.082 0.000 0.807 932 E CB -0.355 29.396 29.700 0.084 0.000 0.766 932 E HN 0.240 nan 8.360 nan 0.000 0.450 933 Y N 1.626 121.940 120.300 0.023 0.000 2.181 933 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 933 Y C 2.162 178.094 175.900 0.053 0.000 1.179 933 Y CA 2.180 60.296 58.100 0.027 0.000 1.179 933 Y CB 0.001 38.466 38.460 0.007 0.000 0.973 933 Y HN 0.009 nan 8.280 nan 0.000 0.519 934 K N -0.518 119.964 120.400 0.136 0.000 2.002 934 K HA -0.295 4.024 4.320 -0.000 0.000 0.209 934 K C 2.178 178.765 176.600 -0.022 0.000 1.048 934 K CA 1.772 58.094 56.287 0.059 0.000 0.930 934 K CB -0.302 32.242 32.500 0.073 0.000 0.714 934 K HN 0.264 nan 8.250 nan 0.000 0.438 935 Q N 1.363 121.159 119.800 -0.006 0.000 2.135 935 Q HA -0.125 4.214 4.340 -0.000 0.000 0.204 935 Q C 1.863 177.843 176.000 -0.034 0.000 0.981 935 Q CA 1.480 57.271 55.803 -0.020 0.000 0.856 935 Q CB -0.303 28.431 28.738 -0.006 0.000 0.902 935 Q HN 0.313 nan 8.270 nan 0.000 0.425 936 L N -1.000 120.192 121.223 -0.053 0.000 2.046 936 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 936 L C 2.268 179.132 176.870 -0.011 0.000 1.077 936 L CA 1.078 55.895 54.840 -0.038 0.000 0.747 936 L CB -0.523 41.469 42.059 -0.111 0.000 0.896 936 L HN 0.132 nan 8.230 nan 0.000 0.432 937 V N -0.276 119.576 119.914 -0.102 0.000 2.307 937 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 937 V C 2.467 178.505 176.094 -0.094 0.000 1.045 937 V CA 1.584 63.816 62.300 -0.114 0.000 1.024 937 V CB -0.589 31.158 31.823 -0.126 0.000 0.651 937 V HN 0.409 nan 8.190 nan 0.000 0.449 938 K N -0.014 120.351 120.400 -0.058 0.000 2.074 938 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 938 K C 1.926 178.523 176.600 -0.006 0.000 1.048 938 K CA 1.913 58.179 56.287 -0.036 0.000 0.926 938 K CB -0.435 32.038 32.500 -0.044 0.000 0.713 938 K HN 0.485 nan 8.250 nan 0.000 0.444 939 D N 0.311 120.709 120.400 -0.004 0.000 2.084 939 D HA -0.158 4.481 4.640 -0.000 0.000 0.194 939 D C 1.933 178.262 176.300 0.049 0.000 0.990 939 D CA 0.934 54.970 54.000 0.060 0.000 0.826 939 D CB -0.240 40.585 40.800 0.042 0.000 0.971 939 D HN 0.163 nan 8.370 nan 0.000 0.453 940 R N 0.860 121.316 120.500 -0.073 0.000 2.119 940 R HA -0.174 4.166 4.340 -0.000 0.000 0.246 940 R C 1.928 178.162 176.300 -0.111 0.000 1.146 940 R CA 1.367 57.359 56.100 -0.180 0.000 0.962 940 R CB 0.154 30.148 30.300 -0.510 0.000 0.863 940 R HN 0.030 nan 8.270 nan 0.000 0.442 941 K N -0.100 120.251 120.400 -0.082 0.000 2.057 941 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 941 K C 1.925 178.538 176.600 0.022 0.000 1.049 941 K CA 1.169 57.431 56.287 -0.042 0.000 0.931 941 K CB -0.673 31.810 32.500 -0.028 0.000 0.714 941 K HN 0.198 nan 8.250 nan 0.000 0.440 942 F N 2.267 122.164 119.950 -0.088 0.000 2.102 942 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 942 F C 2.054 177.802 175.800 -0.087 0.000 1.105 942 F CA 1.187 59.133 58.000 -0.088 0.000 1.239 942 F CB -0.464 38.488 39.000 -0.081 0.000 0.991 942 F HN -0.130 nan 8.300 nan 0.000 0.474 943 L N -0.077 121.076 121.223 -0.117 0.000 2.079 943 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 943 L C 2.489 179.296 176.870 -0.105 0.000 1.081 943 L CA 1.378 56.135 54.840 -0.138 0.000 0.752 943 L CB -0.592 41.499 42.059 0.053 0.000 0.896 943 L HN 0.073 nan 8.230 nan 0.000 0.433 944 R N -0.389 120.069 120.500 -0.069 0.000 2.276 944 R HA -0.084 4.255 4.340 -0.000 0.000 0.203 944 R C 1.701 177.949 176.300 -0.087 0.000 1.017 944 R CA 0.547 56.643 56.100 -0.006 0.000 1.010 944 R CB 0.038 30.360 30.300 0.037 0.000 0.900 944 R HN 0.447 nan 8.270 nan 0.000 0.469 945 E N -0.418 119.656 120.200 -0.211 0.000 2.364 945 E HA -0.010 4.339 4.350 -0.000 0.000 0.196 945 E C 1.503 177.863 176.600 -0.399 0.000 0.990 945 E CA 0.173 56.429 56.400 -0.241 0.000 0.886 945 E CB 0.618 30.198 29.700 -0.199 0.000 0.866 945 E HN 0.035 nan 8.360 nan 0.000 0.493 946 V N 0.224 119.758 119.914 -0.634 0.000 2.341 946 V HA -0.042 4.078 4.120 -0.000 0.000 0.240 946 V C 0.446 176.025 176.094 -0.858 0.000 1.035 946 V CA 1.062 62.807 62.300 -0.925 0.000 1.033 946 V CB -0.006 30.950 31.823 -1.445 0.000 0.678 946 V HN 0.108 nan 8.190 nan 0.000 0.464 947 F N 0.071 119.783 119.950 -0.397 0.000 2.329 947 F HA 0.363 4.890 4.527 -0.000 0.000 0.362 947 F C 1.053 176.758 175.800 -0.158 0.000 1.113 947 F CA -0.308 57.515 58.000 -0.295 0.000 1.212 947 F CB 0.369 39.184 39.000 -0.308 0.000 1.509 947 F HN -0.193 nan 8.300 nan 0.000 0.546 948 V N 0.717 120.628 119.914 -0.005 0.000 2.688 948 V HA -0.259 3.861 4.120 -0.000 0.000 0.256 948 V C 1.879 178.019 176.094 0.077 0.000 1.084 948 V CA 1.584 63.904 62.300 0.034 0.000 1.103 948 V CB -0.405 31.407 31.823 -0.019 0.000 0.688 948 V HN 0.657 nan 8.190 nan 0.000 0.480 949 D N 0.689 121.106 120.400 0.029 0.000 2.123 949 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 949 D C 2.004 178.095 176.300 -0.349 0.000 0.992 949 D CA 1.994 55.963 54.000 -0.051 0.000 0.833 949 D CB -0.073 40.730 40.800 0.004 0.000 0.954 949 D HN 0.594 nan 8.370 nan 0.000 0.455 950 G N 0.836 109.339 108.800 -0.495 0.000 2.179 950 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 950 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 950 G C 0.217 174.809 174.900 -0.513 0.000 0.990 950 G CA 0.326 44.687 45.100 -1.232 0.000 0.646 950 G HN 0.337 nan 8.290 nan 0.000 0.517 951 E N 0.989 121.057 120.200 -0.221 0.000 2.493 951 E HA 0.581 4.931 4.350 -0.000 0.000 0.255 951 E C 1.265 177.868 176.600 0.005 0.000 0.999 951 E CA 1.014 57.357 56.400 -0.095 0.000 0.934 951 E CB 0.683 30.404 29.700 0.035 0.000 0.940 951 E HN 0.735 nan 8.360 nan 0.000 0.473 952 A N 5.193 127.946 122.820 -0.112 0.000 2.115 952 A HA 0.084 4.404 4.320 -0.000 0.000 0.211 952 A C 0.207 177.733 177.584 -0.097 0.000 1.169 952 A CA -0.126 51.874 52.037 -0.061 0.000 0.787 952 A CB 0.082 19.046 19.000 -0.060 0.000 0.858 952 A HN 0.611 nan 8.150 nan 0.000 0.474 953 N N 0.304 118.773 118.700 -0.385 0.000 2.437 953 N HA 0.341 5.080 4.740 -0.000 0.000 0.243 953 N C -1.775 173.195 175.510 -0.900 0.000 1.041 953 N CA 0.243 53.021 53.050 -0.454 0.000 0.940 953 N CB 0.513 38.776 38.487 -0.374 0.000 1.133 953 N HN 0.428 nan 8.380 nan 0.000 0.506 954 W N 2.076 123.245 121.300 -0.218 0.000 3.022 954 W HA 0.363 5.022 4.660 -0.000 0.000 0.335 954 W C -2.206 174.273 176.519 -0.066 0.000 1.133 954 W CA -1.769 55.468 57.345 -0.180 0.000 1.219 954 W CB 1.142 30.437 29.460 -0.275 0.000 1.409 954 W HN 0.283 nan 8.180 nan 0.000 0.507 955 P HA 0.268 nan 4.420 nan 0.000 0.271 955 P C -0.818 176.603 177.300 0.201 0.000 1.220 955 P CA 0.448 63.649 63.100 0.168 0.000 0.768 955 P CB 1.042 32.857 31.700 0.191 0.000 0.848 956 L N 4.508 125.834 121.223 0.172 0.000 2.465 956 L HA 0.488 4.827 4.340 -0.000 0.000 0.257 956 L C -2.339 174.600 176.870 0.114 0.000 0.988 956 L CA -2.618 52.330 54.840 0.179 0.000 0.827 956 L CB 3.006 45.241 42.059 0.293 0.000 1.397 956 L HN 0.159 nan 8.230 nan 0.000 0.410 957 P HA 0.082 nan 4.420 nan 0.000 0.272 957 P C -0.531 176.757 177.300 -0.020 0.000 1.254 957 P CA 0.041 63.078 63.100 -0.105 0.000 0.795 957 P CB 0.740 32.208 31.700 -0.386 0.000 1.022 958 V N -1.308 118.604 119.914 -0.002 0.000 4.273 958 V HA -0.213 3.906 4.120 -0.000 0.000 0.450 958 V C 0.746 176.941 176.094 0.169 0.000 0.683 958 V CA 0.316 62.678 62.300 0.103 0.000 1.815 958 V CB -2.179 29.750 31.823 0.175 0.000 2.190 958 V HN 0.864 nan 8.190 nan 0.000 0.492 959 N N 4.540 123.302 118.700 0.103 0.000 2.549 959 N HA 0.193 4.933 4.740 -0.000 0.000 0.267 959 N C 1.145 176.702 175.510 0.079 0.000 1.182 959 N CA 0.043 53.142 53.050 0.082 0.000 1.019 959 N CB 0.492 38.997 38.487 0.030 0.000 1.380 959 N HN 0.777 nan 8.380 nan 0.000 0.505 960 I N 2.178 122.811 120.570 0.105 0.000 2.163 960 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 960 I C 2.540 178.666 176.117 0.015 0.000 1.085 960 I CA 0.921 62.260 61.300 0.065 0.000 1.347 960 I CB -0.205 37.840 38.000 0.075 0.000 1.044 960 I HN 0.523 nan 8.210 nan 0.000 0.408 961 R N 1.128 121.640 120.500 0.021 0.000 2.140 961 R HA -0.263 4.077 4.340 -0.000 0.000 0.250 961 R C 2.455 178.746 176.300 -0.015 0.000 1.150 961 R CA 1.919 58.016 56.100 -0.004 0.000 0.966 961 R CB -0.245 30.067 30.300 0.020 0.000 0.869 961 R HN 0.273 nan 8.270 nan 0.000 0.445 962 R N 0.247 120.756 120.500 0.014 0.000 2.064 962 R HA -0.066 4.274 4.340 -0.000 0.000 0.228 962 R C 2.430 178.768 176.300 0.063 0.000 1.144 962 R CA 1.961 58.085 56.100 0.040 0.000 0.932 962 R CB -0.397 29.935 30.300 0.052 0.000 0.833 962 R HN 0.269 nan 8.270 nan 0.000 0.429 963 I N 0.936 121.545 120.570 0.066 0.000 2.227 963 I HA -0.399 3.771 4.170 -0.000 0.000 0.250 963 I C 2.262 178.477 176.117 0.163 0.000 1.087 963 I CA 1.576 62.939 61.300 0.105 0.000 1.352 963 I CB -0.395 37.607 38.000 0.003 0.000 1.043 963 I HN 0.330 nan 8.210 nan 0.000 0.425 964 I N 0.176 120.756 120.570 0.017 0.000 2.163 964 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 964 I C 2.585 178.685 176.117 -0.028 0.000 1.081 964 I CA 1.399 62.656 61.300 -0.071 0.000 1.353 964 I CB -0.407 37.379 38.000 -0.357 0.000 1.054 964 I HN 0.282 nan 8.210 nan 0.000 0.407 965 Q N 0.433 120.201 119.800 -0.053 0.000 2.234 965 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 965 Q C 1.299 177.234 176.000 -0.109 0.000 0.980 965 Q CA 1.002 56.736 55.803 -0.115 0.000 0.869 965 Q CB -0.311 28.326 28.738 -0.169 0.000 0.912 965 Q HN 0.446 nan 8.270 nan 0.000 0.436 966 N N -0.740 117.998 118.700 0.063 0.000 2.421 966 N HA 0.088 4.828 4.740 -0.000 0.000 0.201 966 N C 0.275 175.846 175.510 0.102 0.000 1.198 966 N CA 0.485 53.633 53.050 0.164 0.000 0.838 966 N CB 0.686 39.384 38.487 0.352 0.000 1.011 966 N HN 0.250 nan 8.380 nan 0.000 0.463 967 A N -0.782 122.084 122.820 0.077 0.000 2.140 967 A HA 0.109 4.429 4.320 -0.000 0.000 0.199 967 A C 1.820 179.434 177.584 0.049 0.000 1.416 967 A CA -0.111 51.980 52.037 0.090 0.000 1.018 967 A CB 0.280 19.414 19.000 0.223 0.000 1.117 967 A HN -0.005 nan 8.150 nan 0.000 0.480 968 Q N 0.466 120.263 119.800 -0.005 0.000 2.084 968 Q HA -0.214 4.125 4.340 -0.000 0.000 0.202 968 Q C 1.741 177.703 176.000 -0.063 0.000 0.978 968 Q CA 2.098 57.892 55.803 -0.016 0.000 0.844 968 Q CB -0.285 28.448 28.738 -0.008 0.000 0.898 968 Q HN 0.939 nan 8.270 nan 0.000 0.426 969 Q N -1.742 117.983 119.800 -0.125 0.000 2.217 969 Q HA 0.190 4.529 4.340 -0.000 0.000 0.217 969 Q C 1.128 176.912 176.000 -0.359 0.000 0.844 969 Q CA 0.492 56.201 55.803 -0.157 0.000 0.957 969 Q CB 0.216 28.914 28.738 -0.066 0.000 1.127 969 Q HN -0.044 nan 8.270 nan 0.000 0.503 970 T N -0.535 113.778 114.554 -0.401 0.000 3.035 970 T HA 0.205 4.555 4.350 -0.000 0.000 0.259 970 T C 0.035 174.157 174.700 -0.963 0.000 1.078 970 T CA 0.642 62.335 62.100 -0.679 0.000 1.132 970 T CB -0.045 68.328 68.868 -0.825 0.000 0.900 970 T HN 0.322 nan 8.240 nan 0.000 0.480 971 F N 0.475 120.107 119.950 -0.529 0.000 2.688 971 F HA 0.305 4.832 4.527 -0.000 0.000 0.310 971 F C 0.225 175.888 175.800 -0.228 0.000 1.098 971 F CA -0.735 57.048 58.000 -0.362 0.000 1.228 971 F CB -0.020 38.833 39.000 -0.244 0.000 1.042 971 F HN 0.140 nan 8.300 nan 0.000 0.557 972 H N 0.637 119.721 119.070 0.023 0.000 2.591 972 H HA -0.163 4.392 4.556 -0.000 0.000 0.325 972 H C 0.254 175.576 175.328 -0.010 0.000 1.096 972 H CA 0.349 56.396 56.048 -0.003 0.000 1.108 972 H CB -1.744 28.011 29.762 -0.012 0.000 1.590 972 H HN 0.296 nan 8.280 nan 0.000 0.399 973 I N 3.008 123.591 120.570 0.022 0.000 2.416 973 I HA -0.012 4.158 4.170 -0.000 0.000 0.288 973 I C 0.899 176.904 176.117 -0.187 0.000 1.051 973 I CA -0.058 61.198 61.300 -0.073 0.000 1.375 973 I CB 0.771 38.697 38.000 -0.123 0.000 1.407 973 I HN 0.232 nan 8.210 nan 0.000 0.516 974 D N 6.173 126.490 120.400 -0.139 0.000 2.274 974 D HA 0.069 4.709 4.640 -0.000 0.000 0.239 974 D C 0.343 176.548 176.300 -0.158 0.000 1.104 974 D CA -0.437 53.491 54.000 -0.120 0.000 0.840 974 D CB 0.876 41.662 40.800 -0.024 0.000 1.100 974 D HN 0.464 nan 8.370 nan 0.000 0.477 975 H N 1.977 121.070 119.070 0.038 0.000 2.787 975 H HA 0.043 4.599 4.556 -0.000 0.000 0.302 975 H C 1.012 176.351 175.328 0.020 0.000 1.098 975 H CA 0.461 56.527 56.048 0.030 0.000 1.192 975 H CB -0.273 29.509 29.762 0.033 0.000 1.316 975 H HN 0.618 nan 8.280 nan 0.000 0.590 976 T N -3.047 111.553 114.554 0.076 0.000 3.114 976 T HA 0.115 4.464 4.350 -0.000 0.000 0.240 976 T C 0.983 175.701 174.700 0.031 0.000 0.983 976 T CA -0.217 61.914 62.100 0.052 0.000 1.151 976 T CB 0.993 69.884 68.868 0.038 0.000 0.974 976 T HN 0.039 nan 8.240 nan 0.000 0.442 977 K N 2.816 123.226 120.400 0.016 0.000 2.126 977 K HA 0.413 4.733 4.320 -0.000 0.000 0.257 977 K C -2.387 174.216 176.600 0.006 0.000 1.007 977 K CA -2.137 54.154 56.287 0.008 0.000 0.928 977 K CB 0.487 32.988 32.500 0.001 0.000 1.013 977 K HN 0.266 nan 8.250 nan 0.000 0.473 978 P HA -0.035 nan 4.420 nan 0.000 0.273 978 P C -0.516 176.777 177.300 -0.011 0.000 1.250 978 P CA -0.311 62.786 63.100 -0.005 0.000 0.793 978 P CB 0.873 32.567 31.700 -0.010 0.000 1.011 979 S N -0.116 115.573 115.700 -0.018 0.000 2.610 979 S HA 0.153 4.623 4.470 -0.000 0.000 0.273 979 S C 0.752 175.331 174.600 -0.035 0.000 1.274 979 S CA -0.583 57.600 58.200 -0.028 0.000 1.023 979 S CB 0.040 63.218 63.200 -0.037 0.000 0.962 979 S HN 0.542 nan 8.310 nan 0.000 0.523 980 D N 3.279 123.657 120.400 -0.037 0.000 2.395 980 D HA 0.097 4.737 4.640 -0.000 0.000 0.226 980 D C 0.133 176.402 176.300 -0.051 0.000 1.146 980 D CA -0.161 53.818 54.000 -0.035 0.000 0.830 980 D CB -0.337 40.449 40.800 -0.024 0.000 0.958 980 D HN 0.359 nan 8.370 nan 0.000 0.501 981 L N 1.026 122.204 121.223 -0.075 0.000 2.305 981 L HA 0.203 4.542 4.340 -0.000 0.000 0.281 981 L C 0.315 177.117 176.870 -0.114 0.000 1.085 981 L CA -0.102 54.666 54.840 -0.121 0.000 0.813 981 L CB 1.370 43.316 42.059 -0.188 0.000 1.157 981 L HN -0.135 nan 8.230 nan 0.000 0.436 982 T N 4.184 118.671 114.554 -0.112 0.000 2.856 982 T HA 0.235 4.585 4.350 -0.000 0.000 0.292 982 T C 1.586 176.220 174.700 -0.111 0.000 0.980 982 T CA -0.420 61.627 62.100 -0.088 0.000 1.091 982 T CB 1.396 70.227 68.868 -0.061 0.000 0.936 982 T HN 0.443 nan 8.240 nan 0.000 0.503 983 I N 1.652 122.170 120.570 -0.086 0.000 2.657 983 I HA -0.198 3.971 4.170 -0.000 0.000 0.261 983 I C 2.324 178.397 176.117 -0.072 0.000 1.212 983 I CA 1.348 62.598 61.300 -0.084 0.000 1.453 983 I CB -0.080 37.886 38.000 -0.058 0.000 1.092 983 I HN 0.648 nan 8.210 nan 0.000 0.452 984 K N 0.152 120.516 120.400 -0.059 0.000 2.067 984 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 984 K C 1.643 178.217 176.600 -0.043 0.000 1.048 984 K CA 0.922 57.187 56.287 -0.038 0.000 0.954 984 K CB -0.117 32.369 32.500 -0.023 0.000 0.737 984 K HN 0.170 nan 8.250 nan 0.000 0.444 985 D N 1.468 121.827 120.400 -0.067 0.000 2.204 985 D HA -0.233 4.407 4.640 -0.000 0.000 0.189 985 D C 1.905 178.150 176.300 -0.091 0.000 1.006 985 D CA 1.434 55.394 54.000 -0.068 0.000 0.855 985 D CB -0.359 40.365 40.800 -0.127 0.000 0.946 985 D HN 0.146 nan 8.370 nan 0.000 0.448 986 I N 0.439 120.851 120.570 -0.263 0.000 2.055 986 I HA -0.271 3.899 4.170 -0.000 0.000 0.228 986 I C 2.624 178.743 176.117 0.004 0.000 1.050 986 I CA 0.664 61.797 61.300 -0.278 0.000 1.326 986 I CB -0.667 37.136 38.000 -0.328 0.000 1.077 986 I HN -0.125 nan 8.210 nan 0.000 0.392 987 V N 1.140 121.044 119.914 -0.017 0.000 2.252 987 V HA -0.348 3.772 4.120 -0.000 0.000 0.255 987 V C 2.320 178.438 176.094 0.040 0.000 1.071 987 V CA 2.214 64.526 62.300 0.021 0.000 1.050 987 V CB -0.693 31.133 31.823 0.005 0.000 0.654 987 V HN 0.386 nan 8.190 nan 0.000 0.448 988 L N -0.472 120.771 121.223 0.033 0.000 2.341 988 L HA 0.065 4.404 4.340 -0.000 0.000 0.214 988 L C 2.486 179.395 176.870 0.066 0.000 1.115 988 L CA 1.043 55.907 54.840 0.039 0.000 0.820 988 L CB -0.801 41.273 42.059 0.025 0.000 0.944 988 L HN 0.473 nan 8.230 nan 0.000 0.452 989 G N -0.274 108.596 108.800 0.117 0.000 2.434 989 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.214 989 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.214 989 G C 1.541 176.524 174.900 0.139 0.000 1.202 989 G CA 0.725 45.931 45.100 0.178 0.000 0.788 989 G HN 0.122 nan 8.290 nan 0.000 0.539 990 V N 0.885 120.912 119.914 0.188 0.000 2.469 990 V HA -0.179 3.940 4.120 -0.000 0.000 0.251 990 V C 2.664 178.785 176.094 0.044 0.000 1.064 990 V CA 2.282 64.649 62.300 0.112 0.000 1.066 990 V CB -0.389 31.518 31.823 0.141 0.000 0.667 990 V HN 0.407 nan 8.190 nan 0.000 0.461 991 K N -0.464 119.963 120.400 0.046 0.000 2.155 991 K HA -0.154 4.166 4.320 -0.000 0.000 0.203 991 K C 1.788 178.390 176.600 0.005 0.000 1.052 991 K CA 1.343 57.640 56.287 0.018 0.000 0.948 991 K CB -0.068 32.443 32.500 0.019 0.000 0.728 991 K HN 0.450 nan 8.250 nan 0.000 0.448 992 D N 0.599 121.006 120.400 0.012 0.000 2.137 992 D HA -0.131 4.508 4.640 -0.000 0.000 0.202 992 D C 1.847 178.136 176.300 -0.018 0.000 0.970 992 D CA 0.520 54.520 54.000 0.000 0.000 0.837 992 D CB -0.101 40.705 40.800 0.010 0.000 0.981 992 D HN 0.094 nan 8.370 nan 0.000 0.475 993 L N 1.659 122.870 121.223 -0.021 0.000 2.010 993 L HA -0.276 4.063 4.340 -0.000 0.000 0.219 993 L C 2.077 178.904 176.870 -0.071 0.000 1.077 993 L CA 1.904 56.714 54.840 -0.049 0.000 0.773 993 L CB -0.797 41.229 42.059 -0.055 0.000 0.892 993 L HN 0.013 nan 8.230 nan 0.000 0.436 994 Q N -0.978 118.783 119.800 -0.064 0.000 2.248 994 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 994 Q C 1.905 177.860 176.000 -0.075 0.000 0.984 994 Q CA 1.439 57.195 55.803 -0.079 0.000 0.875 994 Q CB -0.158 28.545 28.738 -0.058 0.000 0.910 994 Q HN 0.557 nan 8.270 nan 0.000 0.433 995 E N 0.151 120.319 120.200 -0.054 0.000 2.274 995 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 995 E C 1.121 177.690 176.600 -0.051 0.000 0.996 995 E CA 0.601 56.976 56.400 -0.043 0.000 0.840 995 E CB 0.056 29.740 29.700 -0.027 0.000 0.772 995 E HN 0.410 nan 8.360 nan 0.000 0.491 996 N N 0.003 118.660 118.700 -0.072 0.000 2.368 996 N HA 0.067 4.807 4.740 -0.000 0.000 0.178 996 N C 2.024 177.462 175.510 -0.120 0.000 1.076 996 N CA 0.007 53.014 53.050 -0.073 0.000 0.889 996 N CB 0.140 38.593 38.487 -0.057 0.000 1.040 996 N HN 0.124 nan 8.380 nan 0.000 0.463 997 L N 1.197 122.266 121.223 -0.256 0.000 1.997 997 L HA -0.179 4.160 4.340 -0.000 0.000 0.227 997 L C 0.371 177.128 176.870 -0.188 0.000 1.087 997 L CA 1.101 55.587 54.840 -0.590 0.000 0.797 997 L CB -0.943 40.464 42.059 -1.087 0.000 0.902 997 L HN 0.186 nan 8.230 nan 0.000 0.441 998 L N -1.042 120.141 121.223 -0.067 0.000 2.470 998 L HA -0.230 4.110 4.340 -0.000 0.000 0.463 998 L C 0.454 177.442 176.870 0.197 0.000 1.003 998 L CA -0.203 54.681 54.840 0.073 0.000 1.235 998 L CB -0.698 41.387 42.059 0.044 0.000 0.936 998 L HN 0.044 nan 8.230 nan 0.000 0.512 999 V N 3.868 123.882 119.914 0.167 0.000 3.539 999 V HA 0.313 4.432 4.120 -0.000 0.000 0.262 999 V C 0.466 176.621 176.094 0.101 0.000 1.381 999 V CA 0.600 62.992 62.300 0.154 0.000 1.060 999 V CB 0.839 32.763 31.823 0.168 0.000 0.842 999 V HN 0.473 nan 8.190 nan 0.000 0.445 1000 L N -0.596 120.679 121.223 0.087 0.000 2.371 1000 L HA 0.575 4.914 4.340 -0.000 0.000 0.262 1000 L C 0.460 177.362 176.870 0.054 0.000 1.006 1000 L CA -0.466 54.416 54.840 0.070 0.000 0.818 1000 L CB 2.590 44.691 42.059 0.070 0.000 1.354 1000 L HN -0.116 nan 8.230 nan 0.000 0.415 1001 R N 0.175 120.703 120.500 0.047 0.000 2.531 1001 R HA 0.190 4.530 4.340 -0.000 0.000 0.316 1001 R C 0.662 176.979 176.300 0.028 0.000 0.955 1001 R CA -0.171 55.949 56.100 0.033 0.000 1.120 1001 R CB 1.200 31.518 30.300 0.029 0.000 1.361 1001 R HN 0.790 nan 8.270 nan 0.000 0.534 1002 G N 1.451 110.271 108.800 0.034 0.000 2.238 1002 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.234 1002 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.234 1002 G C 0.059 174.971 174.900 0.020 0.000 1.181 1002 G CA 0.109 45.227 45.100 0.029 0.000 0.871 1002 G HN 0.149 nan 8.290 nan 0.000 0.490 1003 K N 1.065 121.474 120.400 0.015 0.000 2.596 1003 K HA 0.064 4.384 4.320 -0.000 0.000 0.211 1003 K C 0.535 177.140 176.600 0.008 0.000 1.046 1003 K CA -0.160 56.133 56.287 0.010 0.000 1.202 1003 K CB -0.272 32.232 32.500 0.008 0.000 0.925 1003 K HN 0.762 nan 8.250 nan 0.000 0.486 1004 N N -2.137 116.568 118.700 0.009 0.000 2.380 1004 N HA 0.034 4.774 4.740 -0.000 0.000 0.290 1004 N C 0.515 176.026 175.510 0.002 0.000 1.236 1004 N CA -0.745 52.308 53.050 0.006 0.000 0.780 1004 N CB 1.198 39.689 38.487 0.008 0.000 1.438 1004 N HN -0.216 nan 8.380 nan 0.000 0.491 1005 E N 0.806 121.004 120.200 -0.003 0.000 2.095 1005 E HA -0.247 4.102 4.350 -0.000 0.000 0.212 1005 E C 1.110 177.702 176.600 -0.013 0.000 1.044 1005 E CA 2.185 58.580 56.400 -0.009 0.000 0.857 1005 E CB -0.373 29.320 29.700 -0.011 0.000 0.764 1005 E HN 0.686 nan 8.360 nan 0.000 0.462 1006 I N 0.002 120.564 120.570 -0.014 0.000 2.045 1006 I HA -0.286 3.884 4.170 -0.000 0.000 0.233 1006 I C 2.251 178.359 176.117 -0.015 0.000 1.048 1006 I CA 1.076 62.362 61.300 -0.023 0.000 1.313 1006 I CB -0.522 37.463 38.000 -0.024 0.000 1.043 1006 I HN 0.212 nan 8.210 nan 0.000 0.393 1007 I N 0.633 121.205 120.570 0.003 0.000 2.185 1007 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 1007 I C 2.611 178.736 176.117 0.014 0.000 1.088 1007 I CA 1.655 62.966 61.300 0.018 0.000 1.347 1007 I CB -1.525 36.494 38.000 0.032 0.000 1.041 1007 I HN 0.434 nan 8.210 nan 0.000 0.415 1008 Q N 0.343 120.146 119.800 0.006 0.000 2.234 1008 Q HA -0.160 4.179 4.340 -0.000 0.000 0.206 1008 Q C 1.970 177.968 176.000 -0.004 0.000 0.980 1008 Q CA 1.021 56.825 55.803 0.002 0.000 0.869 1008 Q CB -0.425 28.311 28.738 -0.003 0.000 0.912 1008 Q HN 0.605 nan 8.270 nan 0.000 0.436 1009 N N 0.084 118.776 118.700 -0.012 0.000 2.148 1009 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 1009 N C 1.701 177.203 175.510 -0.014 0.000 1.031 1009 N CA 1.150 54.186 53.050 -0.022 0.000 0.848 1009 N CB -0.143 38.322 38.487 -0.036 0.000 1.005 1009 N HN 0.181 nan 8.380 nan 0.000 0.427 1010 A N 1.616 124.432 122.820 -0.008 0.000 1.896 1010 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 1010 A C 2.221 179.825 177.584 0.032 0.000 1.206 1010 A CA 2.371 54.415 52.037 0.012 0.000 0.647 1010 A CB -1.056 17.961 19.000 0.029 0.000 0.828 1010 A HN 0.379 nan 8.150 nan 0.000 0.455 1011 Q N -0.027 119.794 119.800 0.035 0.000 2.062 1011 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 1011 Q C 2.130 178.153 176.000 0.038 0.000 0.996 1011 Q CA 2.512 58.343 55.803 0.046 0.000 0.859 1011 Q CB -0.442 28.317 28.738 0.035 0.000 0.920 1011 Q HN 0.683 nan 8.270 nan 0.000 0.415 1012 R N 0.061 120.568 120.500 0.012 0.000 2.091 1012 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 1012 R C 1.916 178.217 176.300 0.002 0.000 1.136 1012 R CA 1.439 57.537 56.100 -0.004 0.000 0.959 1012 R CB -0.415 29.868 30.300 -0.029 0.000 0.856 1012 R HN 0.445 nan 8.270 nan 0.000 0.437 1013 D N 0.675 121.078 120.400 0.004 0.000 2.081 1013 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 1013 D C 1.841 178.174 176.300 0.054 0.000 0.986 1013 D CA 1.730 55.737 54.000 0.011 0.000 0.837 1013 D CB -0.570 40.235 40.800 0.008 0.000 0.985 1013 D HN 0.185 nan 8.370 nan 0.000 0.448 1014 A N 0.198 123.061 122.820 0.073 0.000 2.104 1014 A HA -0.185 4.135 4.320 -0.000 0.000 0.223 1014 A C 2.236 179.915 177.584 0.158 0.000 1.164 1014 A CA 1.494 53.595 52.037 0.107 0.000 0.659 1014 A CB -0.446 18.621 19.000 0.113 0.000 0.808 1014 A HN 0.214 nan 8.150 nan 0.000 0.465 1015 V N -1.538 118.467 119.914 0.152 0.000 3.644 1015 V HA -0.064 4.056 4.120 -0.000 0.000 0.267 1015 V C 2.293 178.497 176.094 0.183 0.000 1.277 1015 V CA 1.346 63.773 62.300 0.213 0.000 1.096 1015 V CB -0.355 31.557 31.823 0.149 0.000 0.828 1015 V HN 0.574 nan 8.190 nan 0.000 0.446 1016 T N 1.368 115.985 114.554 0.104 0.000 2.597 1016 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 1016 T C 1.909 176.692 174.700 0.140 0.000 1.053 1016 T CA 2.307 64.442 62.100 0.058 0.000 1.165 1016 T CB -0.363 68.497 68.868 -0.013 0.000 0.863 1016 T HN 0.291 nan 8.240 nan 0.000 0.427 1017 L N 0.451 121.800 121.223 0.211 0.000 2.012 1017 L HA 0.010 4.350 4.340 -0.000 0.000 0.210 1017 L C 2.079 179.093 176.870 0.240 0.000 1.073 1017 L CA 1.629 56.614 54.840 0.241 0.000 0.748 1017 L CB -1.006 41.181 42.059 0.212 0.000 0.891 1017 L HN 0.263 nan 8.230 nan 0.000 0.431 1018 F N -0.499 119.539 119.950 0.147 0.000 2.161 1018 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 1018 F C 2.475 178.345 175.800 0.116 0.000 1.089 1018 F CA 1.676 59.772 58.000 0.161 0.000 1.282 1018 F CB -0.869 38.283 39.000 0.253 0.000 1.010 1018 F HN 0.181 nan 8.300 nan 0.000 0.485 1019 C N -0.557 118.700 119.300 -0.073 0.000 2.429 1019 C HA -0.187 4.272 4.460 -0.000 0.000 0.277 1019 C C 3.102 178.004 174.990 -0.146 0.000 1.262 1019 C CA 1.028 59.927 59.018 -0.197 0.000 1.733 1019 C CB -1.764 25.937 27.740 -0.065 0.000 2.010 1019 C HN 0.718 nan 8.230 nan 0.000 0.483 1020 C N 0.368 119.650 119.300 -0.030 0.000 2.385 1020 C HA -0.201 4.259 4.460 -0.000 0.000 0.275 1020 C C 2.587 177.573 174.990 -0.006 0.000 1.207 1020 C CA 1.814 60.846 59.018 0.022 0.000 1.760 1020 C CB -1.590 26.219 27.740 0.114 0.000 2.051 1020 C HN 0.711 nan 8.230 nan 0.000 0.467 1021 L N 0.323 121.515 121.223 -0.052 0.000 2.056 1021 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 1021 L C 2.253 179.048 176.870 -0.124 0.000 1.078 1021 L CA 1.711 56.520 54.840 -0.051 0.000 0.749 1021 L CB -0.789 41.250 42.059 -0.033 0.000 0.901 1021 L HN 0.290 nan 8.230 nan 0.000 0.433 1022 L N 0.122 121.142 121.223 -0.339 0.000 1.970 1022 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 1022 L C 2.703 179.523 176.870 -0.084 0.000 1.071 1022 L CA 1.926 56.588 54.840 -0.298 0.000 0.751 1022 L CB -0.775 41.009 42.059 -0.458 0.000 0.889 1022 L HN 0.268 nan 8.230 nan 0.000 0.432 1023 R N -0.392 120.075 120.500 -0.055 0.000 2.105 1023 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 1023 R C 2.365 178.743 176.300 0.130 0.000 1.135 1023 R CA 1.622 57.743 56.100 0.035 0.000 0.967 1023 R CB -0.700 29.615 30.300 0.025 0.000 0.861 1023 R HN 0.706 nan 8.270 nan 0.000 0.442 1024 S N 0.314 116.106 115.700 0.153 0.000 2.423 1024 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 1024 S C 1.812 176.610 174.600 0.331 0.000 1.014 1024 S CA 0.539 58.943 58.200 0.339 0.000 0.965 1024 S CB 0.040 63.383 63.200 0.238 0.000 0.785 1024 S HN 0.167 nan 8.310 nan 0.000 0.495 1025 R N 1.028 121.637 120.500 0.183 0.000 2.128 1025 R HA 0.368 4.708 4.340 -0.000 0.000 0.211 1025 R C 1.378 177.803 176.300 0.209 0.000 1.067 1025 R CA 0.460 56.674 56.100 0.189 0.000 1.010 1025 R CB -0.823 29.562 30.300 0.143 0.000 0.922 1025 R HN 0.431 nan 8.270 nan 0.000 0.457 1026 L N 1.766 123.086 121.223 0.162 0.000 2.851 1026 L HA 0.366 4.706 4.340 -0.000 0.000 0.237 1026 L C 0.253 177.216 176.870 0.154 0.000 1.257 1026 L CA -0.517 54.448 54.840 0.209 0.000 1.061 1026 L CB -0.051 42.124 42.059 0.193 0.000 1.372 1026 L HN -0.066 nan 8.230 nan 0.000 0.493 1027 A N -0.265 122.601 122.820 0.076 0.000 2.401 1027 A HA 0.294 4.614 4.320 -0.000 0.000 0.259 1027 A C 1.501 179.056 177.584 -0.049 0.000 1.103 1027 A CA -0.128 51.925 52.037 0.027 0.000 0.789 1027 A CB 0.458 19.462 19.000 0.007 0.000 1.035 1027 A HN 0.378 nan 8.150 nan 0.000 0.491 1028 T N 2.048 116.584 114.554 -0.030 0.000 2.649 1028 T HA -0.233 4.116 4.350 -0.000 0.000 0.268 1028 T C 2.076 176.703 174.700 -0.121 0.000 1.036 1028 T CA 1.966 64.023 62.100 -0.070 0.000 1.157 1028 T CB -0.257 68.581 68.868 -0.050 0.000 0.861 1028 T HN 0.661 nan 8.240 nan 0.000 0.445 1029 R N 0.646 121.054 120.500 -0.152 0.000 2.070 1029 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 1029 R C 2.755 178.894 176.300 -0.268 0.000 1.138 1029 R CA 1.308 57.294 56.100 -0.190 0.000 0.936 1029 R CB -0.501 29.672 30.300 -0.211 0.000 0.839 1029 R HN 0.414 nan 8.270 nan 0.000 0.429 1030 R N 0.116 120.385 120.500 -0.385 0.000 2.136 1030 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 1030 R C 2.215 178.142 176.300 -0.623 0.000 1.131 1030 R CA 2.003 57.771 56.100 -0.552 0.000 0.937 1030 R CB -0.685 29.292 30.300 -0.539 0.000 0.863 1030 R HN 0.084 nan 8.270 nan 0.000 0.435 1031 V N 1.038 120.796 119.914 -0.260 0.000 2.867 1031 V HA -0.176 3.944 4.120 -0.000 0.000 0.260 1031 V C 1.958 178.030 176.094 -0.036 0.000 1.099 1031 V CA 1.389 63.693 62.300 0.007 0.000 1.122 1031 V CB -0.330 31.582 31.823 0.148 0.000 0.708 1031 V HN 0.301 nan 8.190 nan 0.000 0.490 1032 L N -1.701 119.445 121.223 -0.128 0.000 2.515 1032 L HA 0.114 4.454 4.340 -0.000 0.000 0.202 1032 L C 2.300 179.119 176.870 -0.086 0.000 1.056 1032 L CA 0.647 55.436 54.840 -0.085 0.000 0.847 1032 L CB -0.247 41.756 42.059 -0.093 0.000 1.131 1032 L HN 0.140 nan 8.230 nan 0.000 0.484 1033 Q N -0.067 119.644 119.800 -0.148 0.000 2.302 1033 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 1033 Q C 1.759 177.652 176.000 -0.178 0.000 0.936 1033 Q CA 0.779 56.502 55.803 -0.134 0.000 0.886 1033 Q CB 0.626 29.282 28.738 -0.136 0.000 0.986 1033 Q HN 0.414 nan 8.270 nan 0.000 0.487 1034 E N -0.615 119.391 120.200 -0.323 0.000 2.127 1034 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 1034 E C -0.371 176.103 176.600 -0.211 0.000 0.964 1034 E CA 0.520 56.695 56.400 -0.375 0.000 0.832 1034 E CB 0.517 29.839 29.700 -0.629 0.000 0.790 1034 E HN 0.331 nan 8.360 nan 0.000 0.465 1035 Y N -0.530 119.801 120.300 0.053 0.000 2.477 1035 Y HA 0.411 4.960 4.550 -0.000 0.000 0.340 1035 Y C -0.589 175.437 175.900 0.210 0.000 0.987 1035 Y CA -1.068 57.133 58.100 0.168 0.000 1.127 1035 Y CB -0.198 38.342 38.460 0.133 0.000 1.139 1035 Y HN -0.272 nan 8.280 nan 0.000 0.637 1036 R N 2.130 122.837 120.500 0.346 0.000 2.018 1036 R HA -0.144 4.196 4.340 -0.000 0.000 0.154 1036 R C -0.206 176.167 176.300 0.122 0.000 0.358 1036 R CA 0.524 56.743 56.100 0.199 0.000 0.400 1036 R CB -0.919 29.508 30.300 0.212 0.000 1.667 1036 R HN 0.705 nan 8.270 nan 0.000 0.560 1037 L N 0.489 121.808 121.223 0.160 0.000 2.456 1037 L HA 0.213 4.553 4.340 -0.000 0.000 0.257 1037 L C 1.421 178.315 176.870 0.039 0.000 1.162 1037 L CA -0.190 54.725 54.840 0.125 0.000 0.808 1037 L CB 0.914 43.126 42.059 0.254 0.000 1.136 1037 L HN 0.362 nan 8.230 nan 0.000 0.466 1038 T N -2.459 112.089 114.554 -0.010 0.000 2.950 1038 T HA 0.227 4.577 4.350 -0.000 0.000 0.288 1038 T C 0.617 175.304 174.700 -0.021 0.000 1.035 1038 T CA -0.859 61.216 62.100 -0.043 0.000 1.028 1038 T CB 1.835 70.656 68.868 -0.080 0.000 1.109 1038 T HN 0.527 nan 8.240 nan 0.000 0.514 1039 K N 0.441 120.825 120.400 -0.026 0.000 2.286 1039 K HA -0.203 4.117 4.320 -0.000 0.000 0.203 1039 K C 2.044 178.666 176.600 0.037 0.000 1.045 1039 K CA 2.046 58.341 56.287 0.013 0.000 0.935 1039 K CB -0.356 32.141 32.500 -0.005 0.000 0.737 1039 K HN 0.785 nan 8.250 nan 0.000 0.460 1040 Q N -1.154 118.605 119.800 -0.068 0.000 2.200 1040 Q HA 0.092 4.432 4.340 -0.000 0.000 0.197 1040 Q C 1.944 177.721 176.000 -0.372 0.000 0.953 1040 Q CA 0.819 56.533 55.803 -0.148 0.000 0.851 1040 Q CB -0.200 28.439 28.738 -0.164 0.000 0.938 1040 Q HN 0.324 nan 8.270 nan 0.000 0.488 1041 A N 0.597 123.027 122.820 -0.650 0.000 1.883 1041 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 1041 A C 1.874 179.408 177.584 -0.084 0.000 1.186 1041 A CA 1.424 52.985 52.037 -0.793 0.000 0.624 1041 A CB -1.022 17.666 19.000 -0.519 0.000 0.822 1041 A HN 0.620 nan 8.150 nan 0.000 0.444 1042 F N 0.772 120.661 119.950 -0.103 0.000 2.113 1042 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 1042 F C 1.822 177.643 175.800 0.035 0.000 1.103 1042 F CA 2.079 60.083 58.000 0.007 0.000 1.248 1042 F CB -0.293 38.709 39.000 0.002 0.000 0.999 1042 F HN 0.281 nan 8.300 nan 0.000 0.475 1043 D N -0.795 119.717 120.400 0.187 0.000 2.182 1043 D HA -0.244 4.396 4.640 -0.000 0.000 0.201 1043 D C 1.752 178.083 176.300 0.052 0.000 0.986 1043 D CA 1.386 55.449 54.000 0.104 0.000 0.847 1043 D CB -0.387 40.494 40.800 0.135 0.000 0.942 1043 D HN 0.526 nan 8.370 nan 0.000 0.467 1044 W N 0.248 121.486 121.300 -0.102 0.000 2.408 1044 W HA -0.144 4.516 4.660 -0.000 0.000 0.311 1044 W C 2.110 178.595 176.519 -0.057 0.000 1.190 1044 W CA 1.114 58.446 57.345 -0.020 0.000 1.321 1044 W CB -0.654 28.858 29.460 0.086 0.000 1.143 1044 W HN -0.222 nan 8.180 nan 0.000 0.501 1045 V N 1.650 121.600 119.914 0.060 0.000 2.231 1045 V HA -0.398 3.722 4.120 -0.000 0.000 0.250 1045 V C 2.482 178.370 176.094 -0.343 0.000 1.058 1045 V CA 2.289 64.467 62.300 -0.203 0.000 1.022 1045 V CB -1.393 30.359 31.823 -0.119 0.000 0.640 1045 V HN 0.290 nan 8.190 nan 0.000 0.445 1046 L N -0.103 120.879 121.223 -0.402 0.000 1.963 1046 L HA -0.306 4.034 4.340 -0.000 0.000 0.220 1046 L C 2.769 179.498 176.870 -0.234 0.000 1.076 1046 L CA 2.284 56.923 54.840 -0.335 0.000 0.772 1046 L CB -0.927 40.927 42.059 -0.342 0.000 0.892 1046 L HN 0.454 nan 8.230 nan 0.000 0.435 1047 S N -0.188 115.382 115.700 -0.216 0.000 2.372 1047 S HA -0.284 4.186 4.470 -0.000 0.000 0.227 1047 S C 1.923 176.374 174.600 -0.247 0.000 1.044 1047 S CA 2.093 60.181 58.200 -0.187 0.000 1.050 1047 S CB -0.400 62.709 63.200 -0.151 0.000 0.901 1047 S HN 0.454 nan 8.310 nan 0.000 0.447 1048 N N 1.102 119.547 118.700 -0.424 0.000 2.039 1048 N HA -0.069 4.671 4.740 -0.000 0.000 0.193 1048 N C 1.885 177.261 175.510 -0.222 0.000 1.044 1048 N CA 1.900 54.681 53.050 -0.448 0.000 0.847 1048 N CB -0.568 37.430 38.487 -0.815 0.000 1.030 1048 N HN 0.529 nan 8.380 nan 0.000 0.422 1049 I N 1.315 121.782 120.570 -0.172 0.000 2.145 1049 I HA -0.307 3.863 4.170 -0.000 0.000 0.244 1049 I C 2.515 178.658 176.117 0.043 0.000 1.075 1049 I CA 1.505 62.795 61.300 -0.017 0.000 1.332 1049 I CB -0.451 37.559 38.000 0.017 0.000 1.033 1049 I HN 0.393 nan 8.210 nan 0.000 0.410 1050 E N 1.363 121.552 120.200 -0.018 0.000 2.058 1050 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 1050 E C 2.196 178.823 176.600 0.045 0.000 0.997 1050 E CA 1.636 58.041 56.400 0.007 0.000 0.801 1050 E CB -0.093 29.584 29.700 -0.039 0.000 0.746 1050 E HN 0.471 nan 8.360 nan 0.000 0.450 1051 A N 1.008 123.820 122.820 -0.013 0.000 1.841 1051 A HA -0.277 4.042 4.320 -0.000 0.000 0.216 1051 A C 2.222 179.809 177.584 0.006 0.000 1.199 1051 A CA 1.955 53.984 52.037 -0.013 0.000 0.621 1051 A CB -0.891 18.077 19.000 -0.054 0.000 0.835 1051 A HN 0.417 nan 8.150 nan 0.000 0.445 1052 Q N -1.825 117.974 119.800 -0.002 0.000 2.112 1052 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 1052 Q C 1.967 177.955 176.000 -0.020 0.000 0.987 1052 Q CA 1.853 57.655 55.803 -0.002 0.000 0.858 1052 Q CB -0.389 28.357 28.738 0.013 0.000 0.905 1052 Q HN 0.740 nan 8.270 nan 0.000 0.420 1053 F N 1.119 121.002 119.950 -0.111 0.000 2.126 1053 F HA -0.205 4.321 4.527 -0.000 0.000 0.299 1053 F C 1.836 177.544 175.800 -0.152 0.000 1.096 1053 F CA 1.215 59.108 58.000 -0.179 0.000 1.255 1053 F CB -0.006 38.893 39.000 -0.169 0.000 0.997 1053 F HN -0.036 nan 8.300 nan 0.000 0.479 1054 L N -0.202 121.094 121.223 0.120 0.000 2.291 1054 L HA -0.082 4.257 4.340 -0.000 0.000 0.214 1054 L C 2.341 179.152 176.870 -0.099 0.000 1.120 1054 L CA 0.770 55.635 54.840 0.043 0.000 0.799 1054 L CB -0.534 41.568 42.059 0.072 0.000 0.925 1054 L HN 0.019 nan 8.230 nan 0.000 0.446 1055 R N -0.852 119.556 120.500 -0.154 0.000 2.193 1055 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 1055 R C 2.151 178.113 176.300 -0.562 0.000 1.055 1055 R CA 0.791 56.748 56.100 -0.238 0.000 0.995 1055 R CB -0.138 30.056 30.300 -0.178 0.000 0.893 1055 R HN 0.219 nan 8.270 nan 0.000 0.459 1056 S N 0.638 116.013 115.700 -0.541 0.000 2.522 1056 S HA 0.035 4.505 4.470 -0.000 0.000 0.227 1056 S C 0.858 175.229 174.600 -0.382 0.000 0.986 1056 S CA 0.132 57.991 58.200 -0.568 0.000 0.929 1056 S CB 0.170 63.113 63.200 -0.429 0.000 0.769 1056 S HN -0.035 nan 8.310 nan 0.000 0.529 1057 V N 2.297 122.027 119.914 -0.306 0.000 2.811 1057 V HA 0.115 4.234 4.120 -0.000 0.000 0.302 1057 V C 0.680 176.768 176.094 -0.009 0.000 1.063 1057 V CA -0.430 61.780 62.300 -0.151 0.000 1.088 1057 V CB 1.048 32.822 31.823 -0.081 0.000 0.982 1057 V HN 0.061 nan 8.190 nan 0.000 0.485 1058 V N 4.472 124.412 119.914 0.043 0.000 2.740 1058 V HA 0.058 4.178 4.120 -0.000 0.000 0.303 1058 V C 0.438 176.606 176.094 0.122 0.000 1.054 1058 V CA -0.057 62.285 62.300 0.071 0.000 1.106 1058 V CB 0.185 32.065 31.823 0.096 0.000 0.957 1058 V HN 0.810 nan 8.190 nan 0.000 0.486 1059 H N 5.411 124.413 119.070 -0.113 0.000 2.620 1059 H HA 0.221 4.777 4.556 -0.000 0.000 0.313 1059 H C -2.256 172.933 175.328 -0.231 0.000 1.075 1059 H CA -2.002 53.957 56.048 -0.148 0.000 1.397 1059 H CB 1.129 30.821 29.762 -0.117 0.000 1.446 1059 H HN 0.476 nan 8.280 nan 0.000 0.493 1060 P HA -0.018 nan 4.420 nan 0.000 0.266 1060 P C 0.802 177.831 177.300 -0.453 0.000 1.215 1060 P CA 0.945 63.724 63.100 -0.536 0.000 0.763 1060 P CB 0.773 31.739 31.700 -1.224 0.000 0.806 1061 G N 2.252 110.871 108.800 -0.302 0.000 2.797 1061 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.195 1061 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.195 1061 G C 0.010 174.837 174.900 -0.123 0.000 1.026 1061 G CA -0.528 44.473 45.100 -0.165 0.000 0.759 1061 G HN 0.461 nan 8.290 nan 0.000 0.475 1062 E N 1.715 121.831 120.200 -0.140 0.000 2.652 1062 E HA 0.103 4.453 4.350 -0.000 0.000 0.255 1062 E C 0.574 177.075 176.600 -0.164 0.000 0.952 1062 E CA 0.425 56.732 56.400 -0.154 0.000 0.947 1062 E CB 0.281 29.851 29.700 -0.217 0.000 0.912 1062 E HN 0.234 nan 8.360 nan 0.000 0.489 1063 M N 4.104 123.630 119.600 -0.123 0.000 3.690 1063 M HA 0.035 4.515 4.480 -0.000 0.000 0.209 1063 M C 0.943 177.179 176.300 -0.107 0.000 1.403 1063 M CA -0.234 55.005 55.300 -0.101 0.000 1.621 1063 M CB -0.624 31.931 32.600 -0.075 0.000 1.056 1063 M HN 0.167 nan 8.290 nan 0.000 0.593 1064 V N 0.028 119.845 119.914 -0.160 0.000 2.982 1064 V HA -0.166 3.954 4.120 -0.000 0.000 0.265 1064 V C 2.320 178.398 176.094 -0.026 0.000 1.122 1064 V CA 1.903 64.134 62.300 -0.115 0.000 1.143 1064 V CB -1.509 30.158 31.823 -0.260 0.000 0.726 1064 V HN 0.753 nan 8.190 nan 0.000 0.507 1065 G N 0.348 109.124 108.800 -0.040 0.000 2.433 1065 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 1065 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 1065 G C 1.607 176.486 174.900 -0.036 0.000 1.186 1065 G CA 1.277 46.364 45.100 -0.022 0.000 0.779 1065 G HN 0.399 nan 8.290 nan 0.000 0.543 1066 V N 0.499 120.381 119.914 -0.052 0.000 2.270 1066 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 1066 V C 2.693 178.736 176.094 -0.085 0.000 1.043 1066 V CA 1.530 63.791 62.300 -0.065 0.000 1.014 1066 V CB -0.519 31.265 31.823 -0.065 0.000 0.645 1066 V HN 0.320 nan 8.190 nan 0.000 0.447 1067 L N 0.641 121.810 121.223 -0.090 0.000 1.976 1067 L HA -0.279 4.061 4.340 -0.000 0.000 0.223 1067 L C 2.521 179.247 176.870 -0.241 0.000 1.081 1067 L CA 2.702 57.456 54.840 -0.142 0.000 0.784 1067 L CB -1.075 40.935 42.059 -0.081 0.000 0.896 1067 L HN 0.292 nan 8.230 nan 0.000 0.438 1068 A N -0.802 121.935 122.820 -0.138 0.000 1.852 1068 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 1068 A C 2.447 179.948 177.584 -0.137 0.000 1.215 1068 A CA 3.124 55.091 52.037 -0.117 0.000 0.641 1068 A CB -1.610 17.436 19.000 0.077 0.000 0.838 1068 A HN 0.678 nan 8.150 nan 0.000 0.450 1069 A N -0.900 121.869 122.820 -0.084 0.000 1.896 1069 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 1069 A C 2.120 179.643 177.584 -0.101 0.000 1.206 1069 A CA 2.218 54.206 52.037 -0.082 0.000 0.647 1069 A CB -0.918 18.038 19.000 -0.073 0.000 0.828 1069 A HN 0.731 nan 8.150 nan 0.000 0.455 1070 Q N -0.622 119.113 119.800 -0.108 0.000 2.170 1070 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 1070 Q C 2.294 178.241 176.000 -0.088 0.000 0.976 1070 Q CA 1.485 57.236 55.803 -0.085 0.000 0.858 1070 Q CB -0.225 28.481 28.738 -0.053 0.000 0.907 1070 Q HN 0.646 nan 8.270 nan 0.000 0.433 1071 S N 0.434 116.022 115.700 -0.186 0.000 2.453 1071 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 1071 S C 1.791 176.314 174.600 -0.128 0.000 1.005 1071 S CA 0.711 58.777 58.200 -0.223 0.000 0.949 1071 S CB 0.076 62.919 63.200 -0.596 0.000 0.774 1071 S HN 0.294 nan 8.310 nan 0.000 0.510 1072 I N 0.368 120.875 120.570 -0.106 0.000 2.927 1072 I HA 0.089 4.259 4.170 -0.000 0.000 0.268 1072 I C 2.479 178.551 176.117 -0.075 0.000 1.153 1072 I CA 0.589 61.843 61.300 -0.077 0.000 1.459 1072 I CB -0.360 37.603 38.000 -0.062 0.000 1.149 1072 I HN 0.319 nan 8.210 nan 0.000 0.443 1073 G N 0.074 108.826 108.800 -0.081 0.000 2.484 1073 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 1073 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 1073 G C 1.533 176.375 174.900 -0.096 0.000 1.130 1073 G CA 0.269 45.319 45.100 -0.083 0.000 0.784 1073 G HN 0.230 nan 8.290 nan 0.000 0.543 1074 E N 1.039 121.178 120.200 -0.103 0.000 2.102 1074 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 1074 E C -0.220 176.323 176.600 -0.095 0.000 0.971 1074 E CA 0.411 56.719 56.400 -0.154 0.000 0.821 1074 E CB -0.306 29.238 29.700 -0.260 0.000 0.777 1074 E HN 0.336 nan 8.360 nan 0.000 0.460 1075 P HA 0.008 nan 4.420 nan 0.000 0.237 1075 P C 0.594 177.862 177.300 -0.054 0.000 1.178 1075 P CA 0.886 63.959 63.100 -0.044 0.000 0.766 1075 P CB 0.126 31.799 31.700 -0.045 0.000 0.876 1076 A N -0.428 122.355 122.820 -0.061 0.000 2.195 1076 A HA 0.105 4.424 4.320 -0.000 0.000 0.210 1076 A C 1.513 179.067 177.584 -0.051 0.000 1.165 1076 A CA 0.749 52.754 52.037 -0.054 0.000 0.806 1076 A CB -0.845 18.123 19.000 -0.053 0.000 0.847 1076 A HN 0.110 nan 8.150 nan 0.000 0.482 1077 T N 0.403 114.919 114.554 -0.064 0.000 3.287 1077 T HA 0.203 4.553 4.350 -0.000 0.000 0.253 1077 T C 0.586 175.253 174.700 -0.057 0.000 0.975 1077 T CA 0.064 62.126 62.100 -0.063 0.000 0.912 1077 T CB 0.056 68.872 68.868 -0.087 0.000 1.071 1077 T HN 0.384 nan 8.240 nan 0.000 0.578 1078 Q N -0.072 119.701 119.800 -0.045 0.000 2.043 1078 Q HA 0.307 4.647 4.340 -0.000 0.000 0.219 1078 Q C 0.172 176.156 176.000 -0.027 0.000 0.762 1078 Q CA 0.116 55.898 55.803 -0.036 0.000 0.943 1078 Q CB 0.471 29.190 28.738 -0.033 0.000 1.194 1078 Q HN 0.540 nan 8.270 nan 0.000 0.447 1079 M N 1.545 121.128 119.600 -0.028 0.000 2.184 1079 M HA 0.283 4.763 4.480 -0.000 0.000 0.351 1079 M C -0.504 175.785 176.300 -0.018 0.000 1.395 1079 M CA 0.761 56.048 55.300 -0.022 0.000 1.117 1079 M CB 0.657 33.243 32.600 -0.024 0.000 1.708 1079 M HN -0.246 nan 8.290 nan 0.000 0.468 1080 T N 4.248 118.794 114.554 -0.013 0.000 3.566 1080 T HA 0.413 4.763 4.350 -0.000 0.000 0.330 1080 T C -0.424 174.274 174.700 -0.004 0.000 0.877 1080 T CA -0.598 61.496 62.100 -0.010 0.000 1.030 1080 T CB 0.992 69.852 68.868 -0.013 0.000 1.033 1080 T HN 0.524 nan 8.240 nan 0.000 0.463 1093 K N 2.371 122.786 120.400 0.024 0.000 2.290 1093 K HA 0.393 4.713 4.320 -0.000 0.000 0.250 1093 K C -0.875 175.741 176.600 0.026 0.000 1.092 1093 K CA -0.259 56.040 56.287 0.019 0.000 1.006 1093 K CB 1.394 33.900 32.500 0.010 0.000 1.549 1093 K HN -0.158 nan 8.250 nan 0.000 0.436 1094 V N 0.532 120.464 119.914 0.030 0.000 3.178 1094 V HA 0.204 4.324 4.120 -0.000 0.000 0.302 1094 V C -0.193 175.921 176.094 0.033 0.000 1.262 1094 V CA -1.171 61.151 62.300 0.037 0.000 1.030 1094 V CB 2.361 34.217 31.823 0.054 0.000 1.074 1094 V HN 0.531 nan 8.190 nan 0.000 0.438 1095 T N 3.078 117.653 114.554 0.035 0.000 2.769 1095 T HA 0.478 4.827 4.350 -0.000 0.000 0.293 1095 T C 0.178 174.900 174.700 0.036 0.000 0.931 1095 T CA 0.050 62.168 62.100 0.031 0.000 1.139 1095 T CB 0.254 69.141 68.868 0.032 0.000 0.881 1095 T HN 0.995 nan 8.240 nan 0.000 0.532 1096 S N 1.961 117.677 115.700 0.026 0.000 2.697 1096 S HA 0.949 5.419 4.470 -0.000 0.000 0.289 1096 S C 0.264 174.871 174.600 0.012 0.000 1.149 1096 S CA -0.363 57.850 58.200 0.022 0.000 0.850 1096 S CB 1.679 64.891 63.200 0.020 0.000 1.151 1096 S HN 1.442 nan 8.310 nan 0.000 0.491 1097 G N -0.118 108.684 108.800 0.004 0.000 2.693 1097 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.226 1097 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.226 1097 G C 0.509 175.408 174.900 -0.002 0.000 1.354 1097 G CA -0.219 44.879 45.100 -0.003 0.000 0.873 1097 G HN 1.531 nan 8.290 nan 0.000 0.562 1098 V N 2.845 122.756 119.914 -0.005 0.000 2.317 1098 V HA -0.175 3.944 4.120 -0.000 0.000 0.251 1098 V C 0.989 177.086 176.094 0.006 0.000 1.065 1098 V CA 3.267 65.566 62.300 -0.002 0.000 1.049 1098 V CB -1.465 30.356 31.823 -0.004 0.000 0.651 1098 V HN 0.787 nan 8.190 nan 0.000 0.450 1099 P HA -0.236 nan 4.420 nan 0.000 0.215 1099 P C 1.605 178.918 177.300 0.020 0.000 1.157 1099 P CA 1.850 64.955 63.100 0.009 0.000 0.874 1099 P CB -0.101 31.602 31.700 0.006 0.000 0.790 1100 R N 0.286 120.801 120.500 0.024 0.000 2.073 1100 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 1100 R C 2.422 178.749 176.300 0.044 0.000 1.134 1100 R CA 1.283 57.407 56.100 0.039 0.000 0.952 1100 R CB -1.904 28.420 30.300 0.040 0.000 0.850 1100 R HN 0.096 nan 8.270 nan 0.000 0.433 1101 L N 1.286 122.524 121.223 0.025 0.000 2.042 1101 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 1101 L C 2.279 179.167 176.870 0.030 0.000 1.076 1101 L CA 2.321 57.171 54.840 0.017 0.000 0.749 1101 L CB -0.663 41.394 42.059 -0.004 0.000 0.893 1101 L HN 0.368 nan 8.230 nan 0.000 0.432 1102 K N -0.673 119.746 120.400 0.032 0.000 2.097 1102 K HA -0.253 4.067 4.320 -0.000 0.000 0.206 1102 K C 2.082 178.713 176.600 0.051 0.000 1.049 1102 K CA 1.723 58.034 56.287 0.041 0.000 0.933 1102 K CB -0.170 32.350 32.500 0.034 0.000 0.717 1102 K HN 0.516 nan 8.250 nan 0.000 0.442 1103 E N 0.642 120.877 120.200 0.058 0.000 2.031 1103 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 1103 E C 1.981 178.664 176.600 0.139 0.000 0.994 1103 E CA 1.648 58.093 56.400 0.076 0.000 0.800 1103 E CB -0.052 29.692 29.700 0.073 0.000 0.752 1103 E HN 0.346 nan 8.360 nan 0.000 0.447 1104 I N 0.817 121.487 120.570 0.167 0.000 2.113 1104 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 1104 I C 2.395 178.623 176.117 0.184 0.000 1.070 1104 I CA 1.102 62.549 61.300 0.246 0.000 1.332 1104 I CB -0.430 37.619 38.000 0.081 0.000 1.044 1104 I HN 0.198 nan 8.210 nan 0.000 0.402 1105 L N 0.529 121.797 121.223 0.075 0.000 2.261 1105 L HA -0.186 4.153 4.340 -0.000 0.000 0.216 1105 L C 1.756 178.653 176.870 0.044 0.000 1.114 1105 L CA 1.018 55.882 54.840 0.040 0.000 0.777 1105 L CB -0.722 41.340 42.059 0.005 0.000 0.910 1105 L HN 0.386 nan 8.230 nan 0.000 0.440 1106 N N -0.356 118.380 118.700 0.059 0.000 2.336 1106 N HA 0.039 4.779 4.740 -0.000 0.000 0.189 1106 N C 0.469 176.013 175.510 0.056 0.000 1.113 1106 N CA 0.143 53.203 53.050 0.016 0.000 0.858 1106 N CB 0.812 39.306 38.487 0.012 0.000 0.970 1106 N HN -0.040 nan 8.380 nan 0.000 0.471 1107 V N 1.104 121.113 119.914 0.159 0.000 5.726 1107 V HA -0.284 3.835 4.120 -0.000 0.000 0.260 1107 V C 0.514 176.641 176.094 0.055 0.000 0.657 1107 V CA 0.584 62.998 62.300 0.191 0.000 0.584 1107 V CB -2.501 29.449 31.823 0.212 0.000 0.241 1107 V HN 0.361 nan 8.190 nan 0.000 0.652 1108 A N 1.367 124.206 122.820 0.032 0.000 2.409 1108 A HA 0.576 4.896 4.320 -0.000 0.000 0.267 1108 A C 1.015 178.558 177.584 -0.069 0.000 1.127 1108 A CA 0.287 52.319 52.037 -0.009 0.000 0.795 1108 A CB 0.770 19.774 19.000 0.006 0.000 1.061 1108 A HN 0.582 nan 8.150 nan 0.000 0.502 1109 K N 2.056 122.419 120.400 -0.061 0.000 2.365 1109 K HA 0.001 4.320 4.320 -0.000 0.000 0.197 1109 K C -0.066 176.492 176.600 -0.070 0.000 1.042 1109 K CA 1.034 57.270 56.287 -0.086 0.000 0.987 1109 K CB 0.122 32.586 32.500 -0.059 0.000 0.779 1109 K HN 0.747 nan 8.250 nan 0.000 0.484 1110 N N 2.474 121.147 118.700 -0.045 0.000 3.091 1110 N HA 0.121 4.861 4.740 -0.000 0.000 0.255 1110 N C -0.377 175.115 175.510 -0.030 0.000 1.204 1110 N CA -0.162 52.867 53.050 -0.035 0.000 0.990 1110 N CB 0.585 39.059 38.487 -0.022 0.000 1.260 1110 N HN 0.249 nan 8.380 nan 0.000 0.502 1111 M N -1.214 118.364 119.600 -0.038 0.000 2.247 1111 M HA 0.351 4.831 4.480 -0.000 0.000 0.326 1111 M C 0.708 177.001 176.300 -0.012 0.000 1.134 1111 M CA -0.318 54.970 55.300 -0.020 0.000 1.136 1111 M CB 1.584 34.170 32.600 -0.022 0.000 1.454 1111 M HN -0.067 nan 8.290 nan 0.000 0.467 1112 K N -0.004 120.396 120.400 -0.001 0.000 2.243 1112 K HA 0.083 4.403 4.320 -0.000 0.000 0.201 1112 K C 0.202 176.804 176.600 0.002 0.000 1.051 1112 K CA 0.872 57.158 56.287 -0.000 0.000 0.970 1112 K CB 0.232 32.734 32.500 0.003 0.000 0.755 1112 K HN 0.772 nan 8.250 nan 0.000 0.465 1113 T N 2.410 116.969 114.554 0.010 0.000 3.516 1113 T HA 0.137 4.487 4.350 -0.000 0.000 0.245 1113 T C -2.194 172.515 174.700 0.014 0.000 1.077 1113 T CA -1.241 60.868 62.100 0.015 0.000 1.222 1113 T CB 0.888 69.772 68.868 0.027 0.000 1.045 1113 T HN 0.001 nan 8.240 nan 0.000 0.585 1114 P HA -0.219 nan 4.420 nan 0.000 0.230 1114 P C 0.380 177.677 177.300 -0.006 0.000 0.853 1114 P CA 1.042 64.133 63.100 -0.016 0.000 1.096 1114 P CB -0.080 31.603 31.700 -0.029 0.000 0.677 1115 S N -3.153 112.543 115.700 -0.007 0.000 3.031 1115 S HA -0.082 4.388 4.470 -0.000 0.000 0.856 1115 S C -1.066 173.529 174.600 -0.008 0.000 0.982 1115 S CA -0.400 57.804 58.200 0.007 0.000 1.334 1115 S CB -1.249 61.973 63.200 0.036 0.000 0.950 1115 S HN 0.372 nan 8.310 nan 0.000 0.240 1116 L N 4.254 125.481 121.223 0.006 0.000 2.354 1116 L HA 0.822 5.162 4.340 -0.000 0.000 0.269 1116 L C 0.176 177.074 176.870 0.045 0.000 1.005 1116 L CA 0.086 54.931 54.840 0.009 0.000 0.819 1116 L CB 2.366 44.429 42.059 0.006 0.000 1.311 1116 L HN 0.783 nan 8.230 nan 0.000 0.423 1117 T N 3.208 117.821 114.554 0.098 0.000 2.912 1117 T HA 0.481 4.830 4.350 -0.000 0.000 0.326 1117 T C -0.667 174.049 174.700 0.027 0.000 1.080 1117 T CA -0.427 61.719 62.100 0.078 0.000 1.000 1117 T CB 0.714 69.724 68.868 0.238 0.000 1.008 1117 T HN 0.427 nan 8.240 nan 0.000 0.473 1118 V N 1.922 121.786 119.914 -0.083 0.000 2.567 1118 V HA 0.700 4.820 4.120 -0.000 0.000 0.289 1118 V C -1.100 174.850 176.094 -0.239 0.000 1.049 1118 V CA -0.819 61.456 62.300 -0.041 0.000 0.969 1118 V CB 0.381 32.205 31.823 0.002 0.000 0.995 1118 V HN 0.654 nan 8.190 nan 0.000 0.471 1119 Y N 3.212 123.568 120.300 0.094 0.000 2.409 1119 Y HA 0.689 5.239 4.550 -0.000 0.000 0.339 1119 Y C 0.101 176.054 175.900 0.089 0.000 1.033 1119 Y CA -0.910 57.249 58.100 0.097 0.000 1.094 1119 Y CB 1.743 40.267 38.460 0.106 0.000 1.210 1119 Y HN 0.564 nan 8.280 nan 0.000 0.456 1120 L N 1.903 123.254 121.223 0.213 0.000 2.464 1120 L HA 0.115 4.454 4.340 -0.000 0.000 0.264 1120 L C 0.555 177.534 176.870 0.181 0.000 1.199 1120 L CA 0.014 54.958 54.840 0.173 0.000 0.818 1120 L CB 0.236 42.400 42.059 0.174 0.000 1.102 1120 L HN 0.596 nan 8.230 nan 0.000 0.473 1121 E N 2.649 122.946 120.200 0.161 0.000 2.442 1121 E HA -0.043 4.307 4.350 -0.000 0.000 0.262 1121 E C -1.628 175.054 176.600 0.137 0.000 1.004 1121 E CA -1.047 55.441 56.400 0.148 0.000 0.928 1121 E CB 0.543 30.342 29.700 0.165 0.000 0.937 1121 E HN 0.401 nan 8.360 nan 0.000 0.446 1122 P HA -0.306 nan 4.420 nan 0.000 0.229 1122 P C 1.082 178.389 177.300 0.011 0.000 0.791 1122 P CA 1.989 65.115 63.100 0.043 0.000 1.091 1122 P CB -0.150 31.559 31.700 0.016 0.000 0.715 1123 G N -1.539 107.218 108.800 -0.071 0.000 2.517 1123 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.222 1123 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.222 1123 G C 0.418 175.178 174.900 -0.234 0.000 1.109 1123 G CA 0.995 45.983 45.100 -0.186 0.000 0.746 1123 G HN 0.467 nan 8.290 nan 0.000 0.576 1124 H N -0.216 118.885 119.070 0.052 0.000 2.741 1124 H HA 0.567 5.123 4.556 -0.000 0.000 0.282 1124 H C 0.401 175.784 175.328 0.093 0.000 1.122 1124 H CA 0.196 56.280 56.048 0.060 0.000 1.293 1124 H CB 1.301 31.089 29.762 0.044 0.000 1.415 1124 H HN 0.187 nan 8.280 nan 0.000 0.472 1125 A N 1.708 124.656 122.820 0.213 0.000 2.574 1125 A HA 0.441 4.761 4.320 -0.000 0.000 0.246 1125 A C 1.215 178.977 177.584 0.296 0.000 1.025 1125 A CA 0.493 52.669 52.037 0.232 0.000 1.043 1125 A CB 0.128 19.233 19.000 0.176 0.000 1.177 1125 A HN 0.590 nan 8.150 nan 0.000 0.526 1126 A N -0.704 122.280 122.820 0.273 0.000 2.066 1126 A HA 0.284 4.604 4.320 -0.000 0.000 0.198 1126 A C 0.212 177.932 177.584 0.228 0.000 1.405 1126 A CA 0.224 52.447 52.037 0.310 0.000 0.973 1126 A CB 0.111 19.221 19.000 0.184 0.000 1.026 1126 A HN 0.184 nan 8.150 nan 0.000 0.474 1127 D N 1.550 122.030 120.400 0.134 0.000 2.449 1127 D HA -0.001 4.639 4.640 -0.000 0.000 0.278 1127 D C 1.207 177.399 176.300 -0.181 0.000 1.417 1127 D CA 0.461 54.466 54.000 0.008 0.000 1.192 1127 D CB 0.921 41.738 40.800 0.027 0.000 1.129 1127 D HN 0.483 nan 8.370 nan 0.000 0.539 1128 Q N 2.454 122.075 119.800 -0.298 0.000 2.217 1128 Q HA -0.242 4.098 4.340 -0.000 0.000 0.209 1128 Q C 1.558 177.260 176.000 -0.496 0.000 0.988 1128 Q CA 1.649 57.039 55.803 -0.689 0.000 0.878 1128 Q CB 0.071 28.531 28.738 -0.463 0.000 0.909 1128 Q HN 0.545 nan 8.270 nan 0.000 0.424 1129 E N -0.824 119.210 120.200 -0.277 0.000 2.112 1129 E HA -0.204 4.145 4.350 -0.000 0.000 0.190 1129 E C 1.846 178.332 176.600 -0.190 0.000 0.979 1129 E CA 0.883 57.158 56.400 -0.209 0.000 0.814 1129 E CB 0.024 29.642 29.700 -0.138 0.000 0.762 1129 E HN 0.558 nan 8.360 nan 0.000 0.460 1130 Q N 0.132 119.830 119.800 -0.170 0.000 2.224 1130 Q HA -0.076 4.263 4.340 -0.000 0.000 0.203 1130 Q C 1.709 177.626 176.000 -0.139 0.000 0.970 1130 Q CA 1.360 57.073 55.803 -0.151 0.000 0.865 1130 Q CB -0.045 28.607 28.738 -0.144 0.000 0.922 1130 Q HN 0.228 nan 8.270 nan 0.000 0.445 1131 A N 0.386 123.090 122.820 -0.193 0.000 2.066 1131 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 1131 A C 1.786 179.253 177.584 -0.196 0.000 1.157 1131 A CA 1.162 53.088 52.037 -0.185 0.000 0.670 1131 A CB -0.174 18.624 19.000 -0.337 0.000 0.804 1131 A HN 0.345 nan 8.150 nan 0.000 0.453 1132 K N -0.335 119.931 120.400 -0.224 0.000 2.076 1132 K HA 0.107 4.427 4.320 -0.000 0.000 0.204 1132 K C 1.804 178.321 176.600 -0.138 0.000 1.051 1132 K CA 0.862 57.033 56.287 -0.193 0.000 0.949 1132 K CB -0.310 32.073 32.500 -0.196 0.000 0.726 1132 K HN 0.399 nan 8.250 nan 0.000 0.443 1133 L N 1.039 122.187 121.223 -0.125 0.000 1.971 1133 L HA -0.250 4.089 4.340 -0.000 0.000 0.215 1133 L C 2.437 179.261 176.870 -0.077 0.000 1.072 1133 L CA 1.517 56.299 54.840 -0.097 0.000 0.758 1133 L CB -0.565 41.435 42.059 -0.098 0.000 0.889 1133 L HN 0.169 nan 8.230 nan 0.000 0.433 1134 I N -0.701 119.826 120.570 -0.071 0.000 2.127 1134 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 1134 I C 2.868 178.959 176.117 -0.042 0.000 1.075 1134 I CA 1.360 62.633 61.300 -0.046 0.000 1.334 1134 I CB -0.496 37.484 38.000 -0.033 0.000 1.040 1134 I HN 0.277 nan 8.210 nan 0.000 0.405 1135 R N 1.187 121.651 120.500 -0.060 0.000 2.112 1135 R HA -0.253 4.087 4.340 -0.000 0.000 0.242 1135 R C 2.470 178.744 176.300 -0.044 0.000 1.137 1135 R CA 2.526 58.593 56.100 -0.056 0.000 0.944 1135 R CB -0.468 29.772 30.300 -0.100 0.000 0.857 1135 R HN 0.525 nan 8.270 nan 0.000 0.435 1136 S N -0.445 115.218 115.700 -0.062 0.000 2.447 1136 S HA -0.020 4.449 4.470 -0.000 0.000 0.233 1136 S C 1.896 176.477 174.600 -0.032 0.000 1.006 1136 S CA 0.892 59.063 58.200 -0.049 0.000 0.957 1136 S CB 0.024 63.185 63.200 -0.065 0.000 0.773 1136 S HN 0.480 nan 8.310 nan 0.000 0.507 1137 A N 0.332 123.135 122.820 -0.030 0.000 2.218 1137 A HA 0.490 4.810 4.320 -0.000 0.000 0.209 1137 A C 1.862 179.446 177.584 -0.001 0.000 1.168 1137 A CA 0.151 52.177 52.037 -0.018 0.000 0.804 1137 A CB -0.328 18.659 19.000 -0.022 0.000 0.834 1137 A HN 0.585 nan 8.150 nan 0.000 0.482 1138 I N -1.305 119.267 120.570 0.004 0.000 3.132 1138 I HA 0.057 4.227 4.170 -0.000 0.000 0.255 1138 I C 0.940 177.083 176.117 0.044 0.000 1.118 1138 I CA -0.073 61.240 61.300 0.020 0.000 1.463 1138 I CB -0.061 37.947 38.000 0.013 0.000 1.356 1138 I HN 0.288 nan 8.210 nan 0.000 0.463 1139 E N 1.738 121.966 120.200 0.046 0.000 2.608 1139 E HA -0.204 4.146 4.350 -0.000 0.000 0.259 1139 E C -0.194 176.466 176.600 0.100 0.000 0.951 1139 E CA 0.219 56.666 56.400 0.078 0.000 0.945 1139 E CB 0.233 29.985 29.700 0.086 0.000 0.916 1139 E HN 0.129 nan 8.360 nan 0.000 0.477 1140 H N 2.862 121.934 119.070 0.005 0.000 2.767 1140 H HA 0.200 4.755 4.556 -0.000 0.000 0.316 1140 H C -0.969 174.356 175.328 -0.004 0.000 1.059 1140 H CA 0.305 56.351 56.048 -0.005 0.000 1.461 1140 H CB 0.769 30.526 29.762 -0.009 0.000 1.475 1140 H HN 0.312 nan 8.280 nan 0.000 0.531 1141 T N 4.799 119.125 114.554 -0.381 0.000 2.824 1141 T HA 0.379 4.729 4.350 -0.000 0.000 0.282 1141 T C -0.623 173.826 174.700 -0.418 0.000 0.993 1141 T CA -0.784 61.143 62.100 -0.288 0.000 0.967 1141 T CB 0.959 69.736 68.868 -0.152 0.000 0.960 1141 T HN 0.751 nan 8.240 nan 0.000 0.441 1142 T N 1.153 115.547 114.554 -0.266 0.000 2.912 1142 T HA 0.466 4.816 4.350 -0.000 0.000 0.288 1142 T C 1.154 175.790 174.700 -0.106 0.000 1.030 1142 T CA -0.905 61.080 62.100 -0.192 0.000 1.020 1142 T CB 1.301 70.105 68.868 -0.106 0.000 1.056 1142 T HN 0.214 nan 8.240 nan 0.000 0.480 1143 L N 1.385 122.561 121.223 -0.077 0.000 2.081 1143 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 1143 L C 2.455 179.303 176.870 -0.036 0.000 1.080 1143 L CA 1.819 56.628 54.840 -0.052 0.000 0.754 1143 L CB -1.060 40.983 42.059 -0.026 0.000 0.893 1143 L HN 0.793 nan 8.230 nan 0.000 0.433 1144 K N -0.576 119.808 120.400 -0.027 0.000 2.034 1144 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 1144 K C 2.043 178.631 176.600 -0.021 0.000 1.051 1144 K CA 2.054 58.332 56.287 -0.016 0.000 0.931 1144 K CB -0.382 32.113 32.500 -0.008 0.000 0.715 1144 K HN 0.621 nan 8.250 nan 0.000 0.446 1145 S N -0.070 115.612 115.700 -0.031 0.000 2.493 1145 S HA -0.090 4.379 4.470 -0.000 0.000 0.243 1145 S C 1.694 176.277 174.600 -0.028 0.000 0.991 1145 S CA 1.120 59.302 58.200 -0.030 0.000 0.957 1145 S CB 0.066 63.242 63.200 -0.040 0.000 0.756 1145 S HN 0.077 nan 8.310 nan 0.000 0.521 1146 V N 0.493 120.388 119.914 -0.031 0.000 3.612 1146 V HA 0.156 4.276 4.120 -0.000 0.000 0.268 1146 V C 0.588 176.671 176.094 -0.019 0.000 1.365 1146 V CA 0.526 62.809 62.300 -0.029 0.000 1.044 1146 V CB 0.289 32.087 31.823 -0.043 0.000 0.820 1146 V HN 0.428 nan 8.190 nan 0.000 0.444 1147 T N 1.443 115.988 114.554 -0.015 0.000 2.851 1147 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 1147 T C 1.256 175.957 174.700 0.001 0.000 0.977 1147 T CA 0.213 62.310 62.100 -0.004 0.000 1.126 1147 T CB 1.418 70.286 68.868 -0.001 0.000 0.916 1147 T HN 0.107 nan 8.240 nan 0.000 0.529 1148 I N 1.350 121.924 120.570 0.007 0.000 2.429 1148 I HA 0.317 4.486 4.170 -0.000 0.000 0.247 1148 I C 1.215 177.340 176.117 0.014 0.000 1.099 1148 I CA 0.266 61.572 61.300 0.010 0.000 1.422 1148 I CB -0.013 37.996 38.000 0.015 0.000 1.112 1148 I HN 0.640 nan 8.210 nan 0.000 0.430 1149 A N 0.176 123.008 122.820 0.020 0.000 2.599 1149 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 1149 A C -0.769 176.833 177.584 0.031 0.000 1.055 1149 A CA -0.434 51.616 52.037 0.022 0.000 0.683 1149 A CB 1.030 20.046 19.000 0.026 0.000 1.278 1149 A HN 0.125 nan 8.150 nan 0.000 0.412 1150 S N 0.361 116.075 115.700 0.024 0.000 2.568 1150 S HA 0.927 5.397 4.470 -0.000 0.000 0.302 1150 S C -0.671 173.940 174.600 0.017 0.000 1.082 1150 S CA -0.547 57.670 58.200 0.029 0.000 1.009 1150 S CB 1.918 65.129 63.200 0.018 0.000 1.069 1150 S HN 0.758 nan 8.310 nan 0.000 0.500 1151 E N 0.228 120.446 120.200 0.031 0.000 2.412 1151 E HA 0.499 4.849 4.350 -0.000 0.000 0.279 1151 E C -1.497 175.093 176.600 -0.017 0.000 0.984 1151 E CA -0.661 55.714 56.400 -0.041 0.000 0.788 1151 E CB 2.205 31.875 29.700 -0.050 0.000 1.277 1151 E HN 0.619 nan 8.360 nan 0.000 0.455 1152 I N 2.547 123.050 120.570 -0.112 0.000 2.439 1152 I HA 0.352 4.521 4.170 -0.000 0.000 0.285 1152 I C -1.228 174.880 176.117 -0.014 0.000 1.021 1152 I CA -0.567 60.746 61.300 0.022 0.000 1.091 1152 I CB 0.753 38.768 38.000 0.025 0.000 1.242 1152 I HN 0.421 nan 8.210 nan 0.000 0.439 1153 Y N 4.471 124.885 120.300 0.189 0.000 2.534 1153 Y HA 0.324 4.874 4.550 -0.000 0.000 0.329 1153 Y C -0.421 175.611 175.900 0.220 0.000 1.154 1153 Y CA -0.580 57.630 58.100 0.184 0.000 1.192 1153 Y CB 1.557 40.069 38.460 0.086 0.000 1.275 1153 Y HN 0.384 nan 8.280 nan 0.000 0.491 1154 Y N 2.387 122.821 120.300 0.224 0.000 2.594 1154 Y HA 0.298 4.848 4.550 -0.000 0.000 0.342 1154 Y C -0.856 174.990 175.900 -0.090 0.000 1.010 1154 Y CA -0.852 57.166 58.100 -0.138 0.000 1.270 1154 Y CB 0.228 38.526 38.460 -0.270 0.000 1.125 1154 Y HN 0.484 nan 8.280 nan 0.000 0.513 1155 D N 8.882 128.932 120.400 -0.584 0.000 2.404 1155 D HA 0.239 4.879 4.640 -0.000 0.000 0.267 1155 D C -1.973 173.982 176.300 -0.575 0.000 1.194 1155 D CA -2.066 51.681 54.000 -0.421 0.000 0.910 1155 D CB 1.650 42.340 40.800 -0.183 0.000 1.090 1155 D HN 0.319 nan 8.370 nan 0.000 0.511 1156 P HA -0.082 nan 4.420 nan 0.000 0.217 1156 P C 0.237 177.386 177.300 -0.252 0.000 1.151 1156 P CA 0.578 63.358 63.100 -0.533 0.000 0.828 1156 P CB 0.531 31.992 31.700 -0.397 0.000 0.788 1157 D N 1.248 121.540 120.400 -0.181 0.000 2.428 1157 D HA 0.127 4.766 4.640 -0.000 0.000 0.221 1157 D C -1.588 174.666 176.300 -0.077 0.000 1.123 1157 D CA -2.700 51.238 54.000 -0.103 0.000 0.869 1157 D CB 0.622 41.380 40.800 -0.071 0.000 1.032 1157 D HN 0.055 nan 8.370 nan 0.000 0.506 1158 P HA -0.021 nan 4.420 nan 0.000 0.251 1158 P C 0.771 178.095 177.300 0.041 0.000 1.251 1158 P CA 0.261 63.352 63.100 -0.015 0.000 0.763 1158 P CB 0.321 32.002 31.700 -0.032 0.000 1.067 1159 R N -0.188 120.324 120.500 0.020 0.000 2.254 1159 R HA 0.141 4.480 4.340 -0.000 0.000 0.193 1159 R C 0.661 176.980 176.300 0.031 0.000 0.929 1159 R CA 0.513 56.638 56.100 0.043 0.000 1.038 1159 R CB 0.444 30.744 30.300 0.000 0.000 1.009 1159 R HN 0.238 nan 8.270 nan 0.000 0.512 1160 S N -0.508 115.194 115.700 0.003 0.000 2.536 1160 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 1160 S C -0.594 173.988 174.600 -0.030 0.000 1.134 1160 S CA -0.776 57.420 58.200 -0.008 0.000 0.897 1160 S CB 2.488 65.677 63.200 -0.017 0.000 1.094 1160 S HN -0.091 nan 8.310 nan 0.000 0.473 1161 T N 2.532 117.064 114.554 -0.035 0.000 2.909 1161 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 1161 T C 1.352 176.003 174.700 -0.081 0.000 1.002 1161 T CA -0.647 61.413 62.100 -0.068 0.000 1.074 1161 T CB 1.380 70.204 68.868 -0.074 0.000 0.984 1161 T HN 0.609 nan 8.240 nan 0.000 0.495 1162 V N 2.104 121.951 119.914 -0.110 0.000 3.217 1162 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 1162 V C 0.771 176.785 176.094 -0.132 0.000 1.135 1162 V CA 0.934 63.177 62.300 -0.094 0.000 1.142 1162 V CB -0.678 31.102 31.823 -0.072 0.000 0.754 1162 V HN 0.719 nan 8.190 nan 0.000 0.484 1163 I N 3.045 123.501 120.570 -0.190 0.000 2.337 1163 I HA 0.218 4.387 4.170 -0.000 0.000 0.285 1163 I C -0.952 175.098 176.117 -0.112 0.000 1.041 1163 I CA -1.787 59.390 61.300 -0.206 0.000 1.199 1163 I CB 1.808 39.614 38.000 -0.323 0.000 1.370 1163 I HN 0.057 nan 8.210 nan 0.000 0.470 1164 P HA -0.200 nan 4.420 nan 0.000 0.220 1164 P C 0.836 178.113 177.300 -0.037 0.000 1.144 1164 P CA 1.406 64.479 63.100 -0.044 0.000 0.800 1164 P CB 0.321 32.003 31.700 -0.030 0.000 0.772 1165 E N -0.126 120.049 120.200 -0.042 0.000 2.208 1165 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 1165 E C 0.696 177.282 176.600 -0.024 0.000 0.988 1165 E CA 0.751 57.135 56.400 -0.027 0.000 0.828 1165 E CB -0.223 29.464 29.700 -0.021 0.000 0.763 1165 E HN 0.344 nan 8.360 nan 0.000 0.478 1166 D N 0.567 120.947 120.400 -0.034 0.000 2.328 1166 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 1166 D C 1.133 177.427 176.300 -0.011 0.000 1.072 1166 D CA 0.145 54.134 54.000 -0.019 0.000 0.850 1166 D CB 0.102 40.888 40.800 -0.025 0.000 0.922 1166 D HN 0.204 nan 8.370 nan 0.000 0.516 1167 E N 0.820 121.010 120.200 -0.016 0.000 2.085 1167 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 1167 E C 1.663 178.260 176.600 -0.004 0.000 0.994 1167 E CA 0.865 57.260 56.400 -0.008 0.000 0.801 1167 E CB 0.162 29.855 29.700 -0.013 0.000 0.743 1167 E HN 0.376 nan 8.360 nan 0.000 0.453 1168 E N 0.466 120.656 120.200 -0.016 0.000 2.031 1168 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 1168 E C 2.175 178.741 176.600 -0.058 0.000 0.994 1168 E CA 0.788 57.170 56.400 -0.031 0.000 0.800 1168 E CB -0.031 29.648 29.700 -0.034 0.000 0.752 1168 E HN 0.219 nan 8.360 nan 0.000 0.447 1169 I N 1.062 121.600 120.570 -0.053 0.000 2.194 1169 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 1169 I C 2.414 178.508 176.117 -0.038 0.000 1.093 1169 I CA 1.093 62.340 61.300 -0.089 0.000 1.355 1169 I CB -0.299 37.712 38.000 0.017 0.000 1.046 1169 I HN 0.219 nan 8.210 nan 0.000 0.413 1170 I N 0.260 120.867 120.570 0.063 0.000 2.202 1170 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 1170 I C 2.667 178.906 176.117 0.203 0.000 1.091 1170 I CA 1.578 62.967 61.300 0.149 0.000 1.368 1170 I CB -0.392 37.681 38.000 0.120 0.000 1.058 1170 I HN 0.351 nan 8.210 nan 0.000 0.410 1171 Q N 0.702 120.584 119.800 0.136 0.000 1.993 1171 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 1171 Q C 2.275 178.390 176.000 0.191 0.000 0.984 1171 Q CA 1.393 57.306 55.803 0.183 0.000 0.837 1171 Q CB -0.299 28.479 28.738 0.066 0.000 0.902 1171 Q HN 0.480 nan 8.270 nan 0.000 0.423 1172 L N 0.725 121.937 121.223 -0.019 0.000 2.456 1172 L HA -0.187 4.153 4.340 -0.000 0.000 0.225 1172 L C 0.923 177.653 176.870 -0.234 0.000 1.142 1172 L CA 0.565 55.321 54.840 -0.141 0.000 0.796 1172 L CB -0.740 41.153 42.059 -0.277 0.000 0.920 1172 L HN 0.330 nan 8.230 nan 0.000 0.446 1173 H N -0.273 118.727 119.070 -0.116 0.000 2.768 1173 H HA 0.174 4.730 4.556 -0.000 0.000 0.228 1173 H C -0.278 174.499 175.328 -0.918 0.000 1.812 1173 H CA 0.133 55.906 56.048 -0.458 0.000 1.273 1173 H CB -0.356 29.069 29.762 -0.560 0.000 1.631 1173 H HN 0.240 nan 8.280 nan 0.000 0.526 1174 F N -1.175 118.798 119.950 0.038 0.000 3.080 1174 F HA -0.001 4.526 4.527 -0.000 0.000 0.330 1174 F C 0.888 176.689 175.800 0.002 0.000 1.280 1174 F CA -0.508 57.508 58.000 0.026 0.000 0.953 1174 F CB -0.047 38.965 39.000 0.020 0.000 1.521 1174 F HN 0.065 nan 8.300 nan 0.000 0.496 1175 S N 0.571 116.327 115.700 0.093 0.000 2.707 1175 S HA 0.855 5.325 4.470 -0.000 0.000 0.276 1175 S C -0.383 174.236 174.600 0.031 0.000 1.179 1175 S CA -0.451 57.781 58.200 0.053 0.000 0.992 1175 S CB 1.885 65.093 63.200 0.013 0.000 1.030 1175 S HN 0.210 nan 8.310 nan 0.000 0.554 1188 Q N 1.357 121.076 119.800 -0.135 0.000 2.454 1188 Q HA 0.448 4.788 4.340 -0.000 0.000 0.247 1188 Q C -0.291 175.682 176.000 -0.046 0.000 1.028 1188 Q CA 0.195 55.931 55.803 -0.111 0.000 0.910 1188 Q CB 1.030 29.650 28.738 -0.196 0.000 1.276 1188 Q HN 0.554 nan 8.270 nan 0.000 0.489 1189 S N 0.482 116.184 115.700 0.005 0.000 2.719 1189 S HA 0.409 4.879 4.470 -0.000 0.000 0.285 1189 S C -1.916 172.659 174.600 -0.042 0.000 1.137 1189 S CA -1.150 57.075 58.200 0.042 0.000 1.012 1189 S CB 0.967 64.270 63.200 0.171 0.000 1.134 1189 S HN 0.553 nan 8.310 nan 0.000 0.544 1190 P HA 0.228 nan 4.420 nan 0.000 0.257 1190 P C -0.778 176.185 177.300 -0.561 0.000 1.241 1190 P CA 0.051 62.885 63.100 -0.443 0.000 0.816 1190 P CB 0.000 31.349 31.700 -0.585 0.000 1.150 1191 W N 1.331 122.595 121.300 -0.060 0.000 2.322 1191 W HA 0.444 5.104 4.660 -0.000 0.000 0.307 1191 W C 0.121 176.641 176.519 0.002 0.000 1.220 1191 W CA -0.763 56.581 57.345 -0.002 0.000 1.210 1191 W CB 0.683 30.180 29.460 0.060 0.000 1.223 1191 W HN -0.167 nan 8.180 nan 0.000 0.511 1192 L N 5.550 126.929 121.223 0.260 0.000 2.322 1192 L HA 0.615 4.954 4.340 -0.000 0.000 0.281 1192 L C -1.289 175.704 176.870 0.205 0.000 1.014 1192 L CA -0.994 53.958 54.840 0.187 0.000 0.815 1192 L CB 1.009 43.152 42.059 0.140 0.000 1.247 1192 L HN 0.356 nan 8.230 nan 0.000 0.421 1193 L N 5.767 127.072 121.223 0.137 0.000 2.280 1193 L HA 0.604 4.944 4.340 -0.000 0.000 0.287 1193 L C -0.679 176.255 176.870 0.107 0.000 1.023 1193 L CA -0.040 54.861 54.840 0.101 0.000 0.819 1193 L CB 0.848 42.931 42.059 0.039 0.000 1.212 1193 L HN 0.807 nan 8.230 nan 0.000 0.420 1194 R N 5.683 126.266 120.500 0.139 0.000 2.480 1194 R HA 0.711 5.051 4.340 -0.000 0.000 0.306 1194 R C -1.847 174.519 176.300 0.110 0.000 0.958 1194 R CA -0.644 55.539 56.100 0.139 0.000 0.861 1194 R CB 1.123 31.552 30.300 0.214 0.000 1.171 1194 R HN 0.739 nan 8.270 nan 0.000 0.445 1195 L N 2.620 123.894 121.223 0.085 0.000 2.362 1195 L HA 0.529 4.869 4.340 -0.000 0.000 0.271 1195 L C -0.325 176.582 176.870 0.062 0.000 1.002 1195 L CA -0.832 54.047 54.840 0.064 0.000 0.818 1195 L CB 2.134 44.220 42.059 0.044 0.000 1.298 1195 L HN 0.621 nan 8.230 nan 0.000 0.420 1196 E N 2.942 123.173 120.200 0.051 0.000 2.158 1196 E HA 0.557 4.907 4.350 -0.000 0.000 0.271 1196 E C -1.577 175.039 176.600 0.026 0.000 0.911 1196 E CA -0.638 55.788 56.400 0.044 0.000 0.767 1196 E CB 1.772 31.500 29.700 0.047 0.000 1.120 1196 E HN 0.453 nan 8.360 nan 0.000 0.405 1197 L N 3.055 124.290 121.223 0.019 0.000 2.317 1197 L HA 0.336 4.676 4.340 -0.000 0.000 0.281 1197 L C 0.142 177.013 176.870 0.003 0.000 1.024 1197 L CA -1.017 53.825 54.840 0.003 0.000 0.810 1197 L CB 1.419 43.472 42.059 -0.011 0.000 1.240 1197 L HN 0.495 nan 8.230 nan 0.000 0.427 1198 D N 2.545 122.944 120.400 -0.003 0.000 2.358 1198 D HA 0.013 4.653 4.640 -0.000 0.000 0.258 1198 D C 1.119 177.415 176.300 -0.006 0.000 1.223 1198 D CA 0.146 54.145 54.000 -0.002 0.000 0.886 1198 D CB 1.070 41.868 40.800 -0.004 0.000 1.120 1198 D HN 0.473 nan 8.370 nan 0.000 0.482 1199 R N 3.233 123.731 120.500 -0.003 0.000 2.133 1199 R HA -0.244 4.096 4.340 -0.000 0.000 0.247 1199 R C 1.833 178.127 176.300 -0.009 0.000 1.151 1199 R CA 1.898 57.995 56.100 -0.005 0.000 0.971 1199 R CB -0.023 30.276 30.300 -0.001 0.000 0.866 1199 R HN 0.565 nan 8.270 nan 0.000 0.447 1200 A N 0.483 123.299 122.820 -0.007 0.000 1.858 1200 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 1200 A C 2.362 179.940 177.584 -0.011 0.000 1.190 1200 A CA 1.645 53.677 52.037 -0.008 0.000 0.617 1200 A CB -0.958 18.039 19.000 -0.006 0.000 0.827 1200 A HN 0.507 nan 8.150 nan 0.000 0.443 1201 A N -0.930 121.883 122.820 -0.011 0.000 1.948 1201 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 1201 A C 2.213 179.785 177.584 -0.021 0.000 1.177 1201 A CA 2.174 54.203 52.037 -0.014 0.000 0.636 1201 A CB -0.513 18.477 19.000 -0.017 0.000 0.815 1201 A HN 0.477 nan 8.150 nan 0.000 0.449 1202 M N -0.364 119.221 119.600 -0.025 0.000 2.123 1202 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 1202 M C 1.653 177.934 176.300 -0.032 0.000 1.069 1202 M CA 1.128 56.408 55.300 -0.034 0.000 1.133 1202 M CB -1.435 31.144 32.600 -0.035 0.000 1.356 1202 M HN 0.428 nan 8.290 nan 0.000 0.415 1203 N N 0.740 119.426 118.700 -0.024 0.000 2.244 1203 N HA -0.158 4.582 4.740 -0.000 0.000 0.183 1203 N C 1.424 176.918 175.510 -0.026 0.000 1.016 1203 N CA 1.062 54.098 53.050 -0.024 0.000 0.866 1203 N CB -0.321 38.155 38.487 -0.018 0.000 0.980 1203 N HN 0.448 nan 8.380 nan 0.000 0.430 1204 D N 1.261 121.648 120.400 -0.021 0.000 2.075 1204 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 1204 D C 0.068 176.353 176.300 -0.025 0.000 0.985 1204 D CA 0.952 54.941 54.000 -0.018 0.000 0.834 1204 D CB 0.324 41.122 40.800 -0.004 0.000 0.987 1204 D HN 0.179 nan 8.370 nan 0.000 0.452 1205 K N 1.456 121.842 120.400 -0.023 0.000 2.270 1205 K HA 0.089 4.409 4.320 -0.000 0.000 0.276 1205 K C -0.348 176.226 176.600 -0.043 0.000 1.023 1205 K CA -0.430 55.839 56.287 -0.030 0.000 0.955 1205 K CB 0.749 33.232 32.500 -0.029 0.000 0.975 1205 K HN 0.065 nan 8.250 nan 0.000 0.471 1206 D N 3.625 123.996 120.400 -0.050 0.000 2.598 1206 D HA 0.023 4.663 4.640 -0.000 0.000 0.231 1206 D C -0.226 176.040 176.300 -0.056 0.000 1.127 1206 D CA 0.665 54.633 54.000 -0.052 0.000 1.126 1206 D CB -0.281 40.486 40.800 -0.055 0.000 1.124 1206 D HN 0.214 nan 8.370 nan 0.000 0.485 1207 L N 0.284 121.473 121.223 -0.057 0.000 2.354 1207 L HA 0.453 4.792 4.340 -0.000 0.000 0.269 1207 L C 0.407 177.235 176.870 -0.070 0.000 1.005 1207 L CA -0.523 54.275 54.840 -0.070 0.000 0.819 1207 L CB 2.465 44.477 42.059 -0.077 0.000 1.311 1207 L HN -0.116 nan 8.230 nan 0.000 0.423 1208 T N 1.689 116.189 114.554 -0.090 0.000 2.893 1208 T HA 0.276 4.626 4.350 -0.000 0.000 0.293 1208 T C 0.974 175.580 174.700 -0.156 0.000 1.027 1208 T CA -0.607 61.441 62.100 -0.087 0.000 0.988 1208 T CB 1.827 70.660 68.868 -0.060 0.000 1.043 1208 T HN 0.432 nan 8.240 nan 0.000 0.461 1209 M N 1.798 121.309 119.600 -0.148 0.000 2.116 1209 M HA -0.109 4.370 4.480 -0.000 0.000 0.255 1209 M C 2.412 178.318 176.300 -0.658 0.000 1.075 1209 M CA 2.135 57.249 55.300 -0.311 0.000 1.087 1209 M CB -1.594 30.952 32.600 -0.090 0.000 1.340 1209 M HN 0.841 nan 8.290 nan 0.000 0.402 1210 G N -0.390 108.220 108.800 -0.315 0.000 2.433 1210 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 1210 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 1210 G C 1.435 176.121 174.900 -0.357 0.000 1.186 1210 G CA 0.785 45.731 45.100 -0.256 0.000 0.779 1210 G HN 0.560 nan 8.290 nan 0.000 0.543 1211 Q N -0.078 119.588 119.800 -0.224 0.000 2.014 1211 Q HA -0.150 4.190 4.340 -0.000 0.000 0.207 1211 Q C 2.858 178.700 176.000 -0.263 0.000 0.993 1211 Q CA 1.998 57.691 55.803 -0.184 0.000 0.850 1211 Q CB -0.594 28.066 28.738 -0.129 0.000 0.916 1211 Q HN 0.382 nan 8.270 nan 0.000 0.417 1212 V N 0.909 120.633 119.914 -0.316 0.000 2.214 1212 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 1212 V C 2.324 178.151 176.094 -0.444 0.000 1.051 1212 V CA 2.134 64.243 62.300 -0.318 0.000 1.003 1212 V CB -1.720 29.925 31.823 -0.296 0.000 0.635 1212 V HN 0.619 nan 8.190 nan 0.000 0.447 1213 G N -0.523 107.758 108.800 -0.865 0.000 2.574 1213 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.220 1213 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.220 1213 G C 1.472 175.994 174.900 -0.629 0.000 1.173 1213 G CA 1.428 45.782 45.100 -1.244 0.000 0.772 1213 G HN 0.614 nan 8.290 nan 0.000 0.585 1214 E N -0.511 119.392 120.200 -0.496 0.000 2.150 1214 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 1214 E C 2.598 179.160 176.600 -0.064 0.000 0.985 1214 E CA 0.564 56.908 56.400 -0.095 0.000 0.814 1214 E CB -0.033 29.660 29.700 -0.013 0.000 0.752 1214 E HN 0.228 nan 8.360 nan 0.000 0.466 1215 R N 0.984 121.412 120.500 -0.119 0.000 2.081 1215 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 1215 R C 1.906 178.191 176.300 -0.024 0.000 1.131 1215 R CA 1.291 57.348 56.100 -0.072 0.000 0.960 1215 R CB -0.360 29.883 30.300 -0.096 0.000 0.856 1215 R HN 0.187 nan 8.270 nan 0.000 0.436 1216 I N 0.104 120.667 120.570 -0.011 0.000 2.202 1216 I HA -0.248 3.921 4.170 -0.000 0.000 0.242 1216 I C 2.375 178.620 176.117 0.214 0.000 1.091 1216 I CA 1.281 62.652 61.300 0.118 0.000 1.368 1216 I CB -0.371 37.692 38.000 0.105 0.000 1.058 1216 I HN 0.201 nan 8.210 nan 0.000 0.410 1217 K N 1.154 121.637 120.400 0.138 0.000 2.089 1217 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 1217 K C 1.988 178.682 176.600 0.156 0.000 1.048 1217 K CA 2.043 58.429 56.287 0.166 0.000 0.926 1217 K CB -0.070 32.526 32.500 0.161 0.000 0.714 1217 K HN 0.509 nan 8.250 nan 0.000 0.448 1218 Q N -1.270 118.585 119.800 0.092 0.000 2.360 1218 Q HA 0.048 4.387 4.340 -0.000 0.000 0.202 1218 Q C 0.847 176.855 176.000 0.014 0.000 0.915 1218 Q CA 0.562 56.400 55.803 0.058 0.000 0.943 1218 Q CB 0.618 29.374 28.738 0.030 0.000 1.064 1218 Q HN 0.058 nan 8.270 nan 0.000 0.511 1219 T N 0.400 114.946 114.554 -0.013 0.000 2.894 1219 T HA 0.045 4.395 4.350 -0.000 0.000 0.258 1219 T C 0.498 175.020 174.700 -0.297 0.000 1.043 1219 T CA 0.856 62.825 62.100 -0.219 0.000 1.141 1219 T CB -0.083 68.542 68.868 -0.405 0.000 0.873 1219 T HN 0.352 nan 8.240 nan 0.000 0.449 1220 F N 1.523 121.486 119.950 0.023 0.000 2.693 1220 F HA 0.380 4.907 4.527 -0.000 0.000 0.303 1220 F C 1.168 176.990 175.800 0.037 0.000 1.097 1220 F CA -0.731 57.288 58.000 0.031 0.000 1.330 1220 F CB -0.527 38.496 39.000 0.039 0.000 1.067 1220 F HN -0.017 nan 8.300 nan 0.000 0.565 1221 K N 0.138 120.640 120.400 0.170 0.000 2.143 1221 K HA -0.347 3.973 4.320 -0.000 0.000 0.106 1221 K C -0.141 176.541 176.600 0.137 0.000 1.291 1221 K CA 1.677 58.037 56.287 0.121 0.000 0.562 1221 K CB -1.015 31.530 32.500 0.075 0.000 0.504 1221 K HN 0.087 nan 8.250 nan 0.000 1.006 1222 N N 2.727 121.491 118.700 0.106 0.000 2.605 1222 N HA 0.096 4.836 4.740 -0.000 0.000 0.258 1222 N C -1.294 174.277 175.510 0.102 0.000 1.156 1222 N CA 0.709 53.819 53.050 0.099 0.000 1.008 1222 N CB -0.013 38.517 38.487 0.073 0.000 1.354 1222 N HN 0.548 nan 8.380 nan 0.000 0.509 1223 D N 1.314 121.786 120.400 0.119 0.000 4.379 1223 D HA -0.026 4.613 4.640 -0.000 0.000 0.121 1223 D C -1.004 175.357 176.300 0.103 0.000 0.765 1223 D CA -0.475 53.588 54.000 0.105 0.000 1.033 1223 D CB -1.322 39.539 40.800 0.102 0.000 1.439 1223 D HN 0.228 nan 8.370 nan 0.000 0.585 1224 L N 0.592 121.876 121.223 0.103 0.000 4.057 1224 L HA 0.427 4.767 4.340 -0.000 0.000 0.264 1224 L C -2.169 174.777 176.870 0.128 0.000 1.024 1224 L CA -0.618 54.249 54.840 0.046 0.000 1.268 1224 L CB 0.939 42.924 42.059 -0.123 0.000 2.019 1224 L HN 0.077 nan 8.230 nan 0.000 0.637 1225 F N 5.520 125.442 119.950 -0.047 0.000 2.445 1225 F HA 0.673 5.199 4.527 -0.000 0.000 0.359 1225 F C -0.220 175.550 175.800 -0.050 0.000 1.101 1225 F CA -0.056 57.914 58.000 -0.051 0.000 1.177 1225 F CB 0.928 39.889 39.000 -0.065 0.000 1.110 1225 F HN 0.231 nan 8.300 nan 0.000 0.522 1226 V N 7.900 127.594 119.914 -0.366 0.000 2.540 1226 V HA 0.526 4.645 4.120 -0.000 0.000 0.302 1226 V C -0.204 175.620 176.094 -0.450 0.000 1.035 1226 V CA -0.824 61.341 62.300 -0.225 0.000 0.873 1226 V CB 1.847 33.704 31.823 0.057 0.000 0.992 1226 V HN 0.613 nan 8.190 nan 0.000 0.428 1227 I N 4.176 124.547 120.570 -0.332 0.000 2.802 1227 I HA 0.673 4.843 4.170 -0.000 0.000 0.298 1227 I C -1.541 174.523 176.117 -0.089 0.000 1.176 1227 I CA -0.479 60.462 61.300 -0.599 0.000 1.025 1227 I CB 2.564 40.071 38.000 -0.822 0.000 1.243 1227 I HN 0.898 nan 8.210 nan 0.000 0.424 1228 W N 3.506 124.769 121.300 -0.063 0.000 3.213 1228 W HA 0.661 5.321 4.660 -0.000 0.000 0.318 1228 W C -0.971 175.605 176.519 0.095 0.000 1.248 1228 W CA -1.063 56.296 57.345 0.023 0.000 1.187 1228 W CB 0.165 29.615 29.460 -0.016 0.000 1.403 1228 W HN 0.492 nan 8.180 nan 0.000 0.556 1229 S N 0.503 116.370 115.700 0.278 0.000 2.579 1229 S HA 0.291 4.761 4.470 -0.000 0.000 0.275 1229 S C -0.168 174.581 174.600 0.249 0.000 1.345 1229 S CA -0.535 57.756 58.200 0.152 0.000 1.031 1229 S CB 0.876 64.140 63.200 0.107 0.000 0.892 1229 S HN 0.567 nan 8.310 nan 0.000 0.529 1230 E N 0.919 121.189 120.200 0.118 0.000 2.301 1230 E HA 0.124 4.473 4.350 -0.000 0.000 0.275 1230 E C 0.341 177.000 176.600 0.100 0.000 1.030 1230 E CA -0.591 55.893 56.400 0.139 0.000 0.852 1230 E CB 0.528 30.258 29.700 0.049 0.000 1.060 1230 E HN 0.606 nan 8.360 nan 0.000 0.401 1231 D N 2.164 122.623 120.400 0.098 0.000 2.286 1231 D HA -0.254 4.386 4.640 -0.000 0.000 0.195 1231 D C 1.085 177.404 176.300 0.033 0.000 1.012 1231 D CA 1.227 55.258 54.000 0.052 0.000 0.901 1231 D CB 0.077 40.898 40.800 0.036 0.000 0.903 1231 D HN 0.418 nan 8.370 nan 0.000 0.451 1232 N N 0.990 119.707 118.700 0.029 0.000 2.188 1232 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 1232 N C 0.188 175.706 175.510 0.012 0.000 1.018 1232 N CA 0.629 53.688 53.050 0.015 0.000 0.858 1232 N CB -0.010 38.481 38.487 0.007 0.000 0.989 1232 N HN 0.285 nan 8.380 nan 0.000 0.426 1233 D N 1.027 121.437 120.400 0.016 0.000 2.449 1233 D HA -0.085 4.555 4.640 -0.000 0.000 0.236 1233 D C 1.149 177.458 176.300 0.015 0.000 1.149 1233 D CA 0.246 54.253 54.000 0.013 0.000 0.878 1233 D CB 0.511 41.322 40.800 0.018 0.000 1.198 1233 D HN 0.436 nan 8.370 nan 0.000 0.446 1234 E N 0.485 120.691 120.200 0.010 0.000 2.516 1234 E HA -0.055 4.294 4.350 -0.000 0.000 0.199 1234 E C -0.174 176.434 176.600 0.014 0.000 1.069 1234 E CA 0.623 57.029 56.400 0.010 0.000 0.876 1234 E CB 0.169 29.872 29.700 0.006 0.000 0.843 1234 E HN 0.210 nan 8.360 nan 0.000 0.530 1235 K N 1.132 121.544 120.400 0.020 0.000 2.581 1235 K HA 0.319 4.639 4.320 -0.000 0.000 0.249 1235 K C -1.237 175.386 176.600 0.037 0.000 0.966 1235 K CA -0.523 55.779 56.287 0.025 0.000 0.811 1235 K CB 1.993 34.507 32.500 0.024 0.000 1.223 1235 K HN 0.030 nan 8.250 nan 0.000 0.438 1236 L N 5.169 126.414 121.223 0.037 0.000 2.315 1236 L HA 0.470 4.810 4.340 -0.000 0.000 0.283 1236 L C -0.158 176.747 176.870 0.058 0.000 1.089 1236 L CA -0.094 54.775 54.840 0.048 0.000 0.833 1236 L CB 0.095 42.170 42.059 0.026 0.000 1.170 1236 L HN 0.461 nan 8.230 nan 0.000 0.442 1237 I N 3.873 124.497 120.570 0.091 0.000 2.913 1237 I HA 0.480 4.650 4.170 -0.000 0.000 0.302 1237 I C -0.758 175.450 176.117 0.151 0.000 1.246 1237 I CA -0.455 60.903 61.300 0.098 0.000 1.010 1237 I CB 3.097 41.145 38.000 0.080 0.000 1.259 1237 I HN 0.422 nan 8.210 nan 0.000 0.434 1238 I N 3.916 124.562 120.570 0.126 0.000 2.608 1238 I HA 0.508 4.678 4.170 -0.000 0.000 0.295 1238 I C -0.810 175.368 176.117 0.102 0.000 1.049 1238 I CA -0.734 60.658 61.300 0.155 0.000 1.063 1238 I CB 2.197 40.267 38.000 0.116 0.000 1.248 1238 I HN 0.394 nan 8.210 nan 0.000 0.424 1239 R N 4.260 124.807 120.500 0.077 0.000 2.439 1239 R HA 0.645 4.985 4.340 -0.000 0.000 0.310 1239 R C -1.487 174.822 176.300 0.015 0.000 0.955 1239 R CA -0.496 55.630 56.100 0.042 0.000 0.853 1239 R CB 1.849 32.161 30.300 0.020 0.000 1.171 1239 R HN 0.583 nan 8.270 nan 0.000 0.449 1240 C N 1.744 121.062 119.300 0.031 0.000 2.562 1240 C HA 0.657 5.116 4.460 -0.000 0.000 0.332 1240 C C -0.087 174.935 174.990 0.053 0.000 1.201 1240 C CA -0.829 58.195 59.018 0.010 0.000 1.803 1240 C CB 1.580 29.290 27.740 -0.050 0.000 2.328 1240 C HN 0.782 nan 8.230 nan 0.000 0.500 1241 R N 0.918 121.458 120.500 0.068 0.000 2.566 1241 R HA 0.528 4.868 4.340 -0.000 0.000 0.271 1241 R C -0.894 175.444 176.300 0.064 0.000 1.071 1241 R CA -0.461 55.694 56.100 0.093 0.000 0.915 1241 R CB 1.795 32.174 30.300 0.132 0.000 1.228 1241 R HN 0.566 nan 8.270 nan 0.000 0.449 1242 V N 1.772 121.720 119.914 0.056 0.000 3.766 1242 V HA 0.385 4.504 4.120 -0.000 0.000 0.286 1242 V C 0.571 176.693 176.094 0.047 0.000 1.055 1242 V CA -0.128 62.195 62.300 0.039 0.000 1.060 1242 V CB 0.976 32.833 31.823 0.055 0.000 1.210 1242 V HN 0.626 nan 8.190 nan 0.000 0.457 1255 E N 0.276 120.502 120.200 0.043 0.000 3.243 1255 E HA -0.138 4.211 4.350 -0.000 0.000 0.178 1255 E C -0.022 176.556 176.600 -0.038 0.000 1.421 1255 E CA 0.762 57.158 56.400 -0.006 0.000 0.787 1255 E CB -0.959 28.738 29.700 -0.004 0.000 1.099 1255 E HN 0.721 nan 8.360 nan 0.000 0.396 1256 E N 0.300 120.407 120.200 -0.155 0.000 2.372 1256 E HA -0.034 4.315 4.350 -0.000 0.000 0.201 1256 E C 0.815 177.178 176.600 -0.395 0.000 0.938 1256 E CA 0.112 56.382 56.400 -0.217 0.000 0.944 1256 E CB 0.225 29.841 29.700 -0.139 0.000 0.937 1256 E HN 0.373 nan 8.360 nan 0.000 0.495 1257 D N 0.767 120.779 120.400 -0.647 0.000 2.384 1257 D HA -0.145 4.495 4.640 -0.000 0.000 0.222 1257 D C 1.489 177.596 176.300 -0.323 0.000 0.976 1257 D CA 0.853 54.496 54.000 -0.595 0.000 0.915 1257 D CB 0.040 40.436 40.800 -0.674 0.000 0.896 1257 D HN 0.248 nan 8.370 nan 0.000 0.523 1258 H N -0.113 118.826 119.070 -0.218 0.000 2.460 1258 H HA 0.232 4.788 4.556 -0.000 0.000 0.297 1258 H C 2.162 177.438 175.328 -0.088 0.000 1.023 1258 H CA 0.172 56.145 56.048 -0.125 0.000 1.321 1258 H CB 0.367 30.072 29.762 -0.095 0.000 1.455 1258 H HN 0.034 nan 8.280 nan 0.000 0.539 1259 M N 0.147 119.778 119.600 0.051 0.000 2.117 1259 M HA -0.165 4.314 4.480 -0.000 0.000 0.262 1259 M C 1.869 178.167 176.300 -0.002 0.000 1.065 1259 M CA 1.030 56.350 55.300 0.033 0.000 1.114 1259 M CB -0.202 32.410 32.600 0.019 0.000 1.361 1259 M HN 0.072 nan 8.290 nan 0.000 0.408 1260 L N 0.110 121.303 121.223 -0.050 0.000 2.700 1260 L HA -0.098 4.242 4.340 -0.000 0.000 0.240 1260 L C 1.674 178.511 176.870 -0.055 0.000 1.162 1260 L CA 1.528 56.337 54.840 -0.052 0.000 0.874 1260 L CB -0.539 41.487 42.059 -0.055 0.000 1.001 1260 L HN 0.147 nan 8.230 nan 0.000 0.447 1261 K N -1.793 118.573 120.400 -0.057 0.000 2.412 1261 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 1261 K C 1.761 178.359 176.600 -0.005 0.000 1.275 1261 K CA 0.020 56.272 56.287 -0.059 0.000 0.910 1261 K CB 0.377 32.794 32.500 -0.139 0.000 1.346 1261 K HN 0.038 nan 8.250 nan 0.000 0.490 1262 K N 1.018 121.437 120.400 0.031 0.000 2.280 1262 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 1262 K C 1.751 178.400 176.600 0.082 0.000 1.047 1262 K CA 0.983 57.310 56.287 0.067 0.000 0.942 1262 K CB 0.078 32.635 32.500 0.095 0.000 0.739 1262 K HN 0.149 nan 8.250 nan 0.000 0.457 1263 I N 0.785 121.397 120.570 0.071 0.000 2.480 1263 I HA -0.189 3.980 4.170 -0.000 0.000 0.251 1263 I C 2.481 178.654 176.117 0.093 0.000 1.124 1263 I CA 0.844 62.206 61.300 0.104 0.000 1.444 1263 I CB -0.094 37.906 38.000 -0.001 0.000 1.098 1263 I HN 0.239 nan 8.210 nan 0.000 0.428 1264 E N 1.233 121.457 120.200 0.040 0.000 2.110 1264 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 1264 E C 1.796 178.428 176.600 0.054 0.000 0.988 1264 E CA 1.425 57.846 56.400 0.035 0.000 0.804 1264 E CB -0.202 29.502 29.700 0.007 0.000 0.745 1264 E HN 0.384 nan 8.360 nan 0.000 0.458 1265 N N 0.076 118.807 118.700 0.052 0.000 2.135 1265 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 1265 N C 1.786 177.337 175.510 0.069 0.000 1.027 1265 N CA 1.937 55.016 53.050 0.049 0.000 0.849 1265 N CB -0.381 38.129 38.487 0.038 0.000 1.002 1265 N HN 0.266 nan 8.380 nan 0.000 0.425 1266 T N 2.234 116.848 114.554 0.100 0.000 2.699 1266 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 1266 T C 2.104 176.874 174.700 0.117 0.000 1.036 1266 T CA 1.137 63.300 62.100 0.106 0.000 1.147 1266 T CB -0.090 68.876 68.868 0.164 0.000 0.862 1266 T HN 0.226 nan 8.240 nan 0.000 0.446 1267 M N 0.438 120.146 119.600 0.180 0.000 2.059 1267 M HA -0.012 4.468 4.480 -0.000 0.000 0.259 1267 M C 2.372 178.716 176.300 0.074 0.000 1.072 1267 M CA 1.656 57.053 55.300 0.161 0.000 1.117 1267 M CB -0.699 31.994 32.600 0.156 0.000 1.320 1267 M HN 0.209 nan 8.290 nan 0.000 0.408 1268 L N -0.650 120.607 121.223 0.056 0.000 2.141 1268 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 1268 L C 2.097 178.981 176.870 0.024 0.000 1.094 1268 L CA 1.259 56.116 54.840 0.030 0.000 0.763 1268 L CB -0.609 41.465 42.059 0.024 0.000 0.908 1268 L HN 0.421 nan 8.230 nan 0.000 0.437 1269 E N -0.486 119.733 120.200 0.032 0.000 2.062 1269 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 1269 E C 1.771 178.393 176.600 0.036 0.000 0.949 1269 E CA -0.027 56.392 56.400 0.032 0.000 0.889 1269 E CB -0.026 29.692 29.700 0.030 0.000 0.928 1269 E HN 0.330 nan 8.360 nan 0.000 0.476 1270 N N 1.540 120.256 118.700 0.027 0.000 2.021 1270 N HA -0.156 4.584 4.740 -0.000 0.000 0.198 1270 N C 0.909 176.423 175.510 0.008 0.000 1.041 1270 N CA 0.885 53.944 53.050 0.014 0.000 0.862 1270 N CB -0.535 37.944 38.487 -0.014 0.000 1.048 1270 N HN 0.140 nan 8.380 nan 0.000 0.427 1271 I N 2.328 122.892 120.570 -0.010 0.000 2.845 1271 I HA -0.111 4.059 4.170 -0.000 0.000 0.290 1271 I C 0.142 176.239 176.117 -0.034 0.000 1.202 1271 I CA 0.550 61.833 61.300 -0.028 0.000 1.406 1271 I CB -0.046 37.948 38.000 -0.011 0.000 1.383 1271 I HN 0.024 nan 8.210 nan 0.000 0.549 1272 T N 7.420 121.953 114.554 -0.034 0.000 2.882 1272 T HA 0.255 4.605 4.350 -0.000 0.000 0.287 1272 T C 0.839 175.475 174.700 -0.106 0.000 0.992 1272 T CA -0.624 61.425 62.100 -0.084 0.000 1.076 1272 T CB 2.217 71.109 68.868 0.039 0.000 0.961 1272 T HN 0.300 nan 8.240 nan 0.000 0.490 1273 L N 1.456 122.583 121.223 -0.160 0.000 2.349 1273 L HA 0.446 4.785 4.340 -0.000 0.000 0.200 1273 L C 0.973 177.782 176.870 -0.103 0.000 1.064 1273 L CA 1.234 56.000 54.840 -0.122 0.000 0.821 1273 L CB -0.372 41.610 42.059 -0.127 0.000 1.027 1273 L HN 0.520 nan 8.230 nan 0.000 0.476 1274 R N -1.348 119.082 120.500 -0.117 0.000 2.566 1274 R HA 0.507 4.847 4.340 -0.000 0.000 0.271 1274 R C -0.730 175.543 176.300 -0.044 0.000 1.071 1274 R CA 0.257 56.316 56.100 -0.069 0.000 0.915 1274 R CB 1.694 31.955 30.300 -0.064 0.000 1.228 1274 R HN 0.261 nan 8.270 nan 0.000 0.449 1275 G N 0.965 109.772 108.800 0.012 0.000 2.362 1275 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.517 1275 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.517 1275 G C -1.778 173.199 174.900 0.128 0.000 1.256 1275 G CA -0.477 44.664 45.100 0.070 0.000 1.027 1275 G HN 0.521 nan 8.290 nan 0.000 0.491 1276 V N 0.972 120.969 119.914 0.138 0.000 2.604 1276 V HA 0.582 4.702 4.120 -0.000 0.000 0.305 1276 V C 0.642 176.724 176.094 -0.021 0.000 1.043 1276 V CA -0.218 62.124 62.300 0.071 0.000 0.888 1276 V CB 1.473 33.308 31.823 0.020 0.000 0.995 1276 V HN 1.146 nan 8.190 nan 0.000 0.429 1277 E N 4.109 124.212 120.200 -0.162 0.000 2.436 1277 E HA 0.094 4.443 4.350 -0.000 0.000 0.262 1277 E C 0.297 176.728 176.600 -0.282 0.000 1.063 1277 E CA 0.155 56.282 56.400 -0.455 0.000 0.944 1277 E CB 0.089 29.619 29.700 -0.282 0.000 0.950 1277 E HN 0.676 nan 8.360 nan 0.000 0.444 1278 N N 0.312 118.827 118.700 -0.308 0.000 2.924 1278 N HA -0.220 4.520 4.740 -0.000 0.000 0.210 1278 N C -0.106 175.348 175.510 -0.094 0.000 0.902 1278 N CA 1.606 54.563 53.050 -0.155 0.000 1.061 1278 N CB -1.304 37.119 38.487 -0.107 0.000 0.985 1278 N HN 0.607 nan 8.380 nan 0.000 0.600 1279 I N 2.732 123.256 120.570 -0.077 0.000 2.213 1279 I HA 0.033 4.203 4.170 -0.000 0.000 0.295 1279 I C 1.436 177.575 176.117 0.036 0.000 1.172 1279 I CA 0.121 61.416 61.300 -0.009 0.000 1.443 1279 I CB 0.033 38.040 38.000 0.011 0.000 1.491 1279 I HN 0.121 nan 8.210 nan 0.000 0.652 1280 E N 4.169 124.381 120.200 0.020 0.000 1.997 1280 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 1280 E C 0.687 177.308 176.600 0.035 0.000 0.990 1280 E CA 0.940 57.363 56.400 0.038 0.000 0.845 1280 E CB 0.155 29.860 29.700 0.009 0.000 0.795 1280 E HN 0.496 nan 8.360 nan 0.000 0.479 1281 R N 0.270 120.775 120.500 0.009 0.000 2.577 1281 R HA 0.456 4.796 4.340 -0.000 0.000 0.269 1281 R C -0.959 175.383 176.300 0.071 0.000 1.084 1281 R CA -0.311 55.791 56.100 0.003 0.000 1.163 1281 R CB 1.174 31.453 30.300 -0.034 0.000 1.100 1281 R HN 0.017 nan 8.270 nan 0.000 0.547 1282 V N 1.806 121.815 119.914 0.157 0.000 2.671 1282 V HA 0.172 4.292 4.120 -0.000 0.000 0.292 1282 V C -0.736 175.466 176.094 0.182 0.000 1.115 1282 V CA -0.793 61.590 62.300 0.138 0.000 0.918 1282 V CB 1.877 33.764 31.823 0.106 0.000 1.036 1282 V HN 0.462 nan 8.190 nan 0.000 0.445 1283 V N 4.913 124.892 119.914 0.108 0.000 2.769 1283 V HA 0.601 4.720 4.120 -0.000 0.000 0.312 1283 V C 0.083 176.201 176.094 0.041 0.000 1.058 1283 V CA -0.689 61.670 62.300 0.097 0.000 0.952 1283 V CB 2.131 34.008 31.823 0.089 0.000 1.019 1283 V HN 0.797 nan 8.190 nan 0.000 0.445 1284 M N 4.079 123.719 119.600 0.065 0.000 2.423 1284 M HA 0.659 5.139 4.480 -0.000 0.000 0.335 1284 M C -0.806 175.609 176.300 0.192 0.000 1.177 1284 M CA -0.242 55.150 55.300 0.153 0.000 1.038 1284 M CB 1.744 34.452 32.600 0.180 0.000 1.641 1284 M HN 0.444 nan 8.290 nan 0.000 0.455 1285 M N 1.708 121.363 119.600 0.091 0.000 2.520 1285 M HA 0.386 4.866 4.480 -0.000 0.000 0.283 1285 M C -1.168 174.766 176.300 -0.609 0.000 1.237 1285 M CA -0.664 54.513 55.300 -0.206 0.000 0.885 1285 M CB 2.429 34.816 32.600 -0.355 0.000 1.727 1285 M HN 0.529 nan 8.290 nan 0.000 0.468 1286 K N 1.888 121.858 120.400 -0.718 0.000 2.404 1286 K HA 0.474 4.793 4.320 -0.000 0.000 0.257 1286 K C -1.714 174.716 176.600 -0.284 0.000 1.026 1286 K CA -0.148 55.603 56.287 -0.893 0.000 0.951 1286 K CB 0.827 32.694 32.500 -1.054 0.000 1.203 1286 K HN 0.623 nan 8.250 nan 0.000 0.446 1287 Y N 2.026 122.157 120.300 -0.282 0.000 2.335 1287 Y HA 0.107 4.657 4.550 -0.000 0.000 0.323 1287 Y C 0.806 176.648 175.900 -0.095 0.000 1.224 1287 Y CA -1.269 56.756 58.100 -0.126 0.000 1.241 1287 Y CB 1.206 39.646 38.460 -0.032 0.000 1.235 1287 Y HN 0.564 nan 8.280 nan 0.000 0.492 1288 D N 1.671 122.118 120.400 0.078 0.000 2.411 1288 D HA 0.301 4.941 4.640 -0.000 0.000 0.251 1288 D C -0.450 175.876 176.300 0.043 0.000 1.201 1288 D CA -0.135 53.881 54.000 0.026 0.000 0.996 1288 D CB 1.106 41.902 40.800 -0.006 0.000 1.101 1288 D HN 0.436 nan 8.370 nan 0.000 0.504 1289 R N 0.910 121.433 120.500 0.039 0.000 3.119 1289 R HA 0.057 4.397 4.340 -0.000 0.000 0.294 1289 R C -1.083 175.257 176.300 0.066 0.000 1.267 1289 R CA -0.509 55.622 56.100 0.052 0.000 1.078 1289 R CB 0.461 30.807 30.300 0.076 0.000 1.320 1289 R HN 0.261 nan 8.270 nan 0.000 0.380 1290 K N 2.742 123.190 120.400 0.081 0.000 2.451 1290 K HA 0.247 4.567 4.320 -0.000 0.000 0.280 1290 K C -0.441 176.302 176.600 0.238 0.000 1.020 1290 K CA 0.140 56.528 56.287 0.169 0.000 1.008 1290 K CB 1.196 33.786 32.500 0.150 0.000 0.917 1290 K HN 0.194 nan 8.250 nan 0.000 0.478 1291 V N 4.967 124.985 119.914 0.173 0.000 3.007 1291 V HA 0.315 4.435 4.120 -0.000 0.000 0.311 1291 V C -2.468 173.463 176.094 -0.272 0.000 1.120 1291 V CA -2.276 60.028 62.300 0.008 0.000 0.980 1291 V CB 2.120 33.935 31.823 -0.013 0.000 1.033 1291 V HN 0.642 nan 8.190 nan 0.000 0.429 1292 P HA 0.275 nan 4.420 nan 0.000 0.275 1292 P C -0.722 176.403 177.300 -0.292 0.000 1.228 1292 P CA 0.086 62.820 63.100 -0.610 0.000 0.786 1292 P CB 0.858 32.231 31.700 -0.544 0.000 0.927 1293 S N 2.428 117.983 115.700 -0.242 0.000 2.654 1293 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 1293 S C -1.489 173.041 174.600 -0.116 0.000 1.180 1293 S CA -2.003 56.117 58.200 -0.132 0.000 1.021 1293 S CB 0.173 63.319 63.200 -0.089 0.000 1.018 1293 S HN 0.302 nan 8.310 nan 0.000 0.532 1294 P HA -0.009 nan 4.420 nan 0.000 0.226 1294 P C 1.086 178.354 177.300 -0.053 0.000 1.153 1294 P CA 0.900 63.962 63.100 -0.064 0.000 0.777 1294 P CB -0.122 31.550 31.700 -0.045 0.000 0.794 1295 T N -2.513 112.011 114.554 -0.050 0.000 3.081 1295 T HA 0.302 4.652 4.350 -0.000 0.000 0.255 1295 T C 1.409 176.085 174.700 -0.040 0.000 1.113 1295 T CA 1.439 63.519 62.100 -0.032 0.000 1.082 1295 T CB -0.439 68.417 68.868 -0.019 0.000 0.939 1295 T HN 0.268 nan 8.240 nan 0.000 0.506 1296 G N 0.661 109.415 108.800 -0.076 0.000 2.436 1296 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.204 1296 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.204 1296 G C -0.135 174.701 174.900 -0.106 0.000 1.026 1296 G CA -0.090 44.952 45.100 -0.097 0.000 0.658 1296 G HN 0.586 nan 8.290 nan 0.000 0.499 1297 E N 0.269 120.438 120.200 -0.051 0.000 2.422 1297 E HA 0.501 4.851 4.350 -0.000 0.000 0.260 1297 E C -0.322 176.248 176.600 -0.051 0.000 1.108 1297 E CA -0.181 56.221 56.400 0.003 0.000 0.943 1297 E CB 0.385 30.101 29.700 0.026 0.000 0.961 1297 E HN 0.388 nan 8.360 nan 0.000 0.443 1298 Y N 0.282 120.570 120.300 -0.020 0.000 2.309 1298 Y HA 0.330 4.880 4.550 -0.000 0.000 0.327 1298 Y C -0.074 175.817 175.900 -0.015 0.000 1.172 1298 Y CA -0.333 57.755 58.100 -0.020 0.000 1.280 1298 Y CB 0.894 39.343 38.460 -0.019 0.000 1.234 1298 Y HN 0.140 nan 8.280 nan 0.000 0.512 1299 V N 3.855 123.811 119.914 0.070 0.000 2.735 1299 V HA 0.316 4.436 4.120 -0.000 0.000 0.310 1299 V C -0.730 175.398 176.094 0.057 0.000 1.061 1299 V CA -1.746 60.580 62.300 0.044 0.000 0.913 1299 V CB 1.911 33.733 31.823 -0.002 0.000 1.005 1299 V HN 0.569 nan 8.190 nan 0.000 0.428 1300 K N 3.414 123.841 120.400 0.044 0.000 2.220 1300 K HA 0.229 4.548 4.320 -0.000 0.000 0.283 1300 K C -0.075 176.541 176.600 0.025 0.000 1.098 1300 K CA 0.011 56.320 56.287 0.036 0.000 0.928 1300 K CB 0.759 33.272 32.500 0.022 0.000 1.214 1300 K HN 0.673 nan 8.250 nan 0.000 0.442 1301 E N 5.605 125.822 120.200 0.029 0.000 2.167 1301 E HA 0.129 4.479 4.350 -0.000 0.000 0.247 1301 E C -2.124 174.493 176.600 0.028 0.000 0.961 1301 E CA -2.262 54.153 56.400 0.025 0.000 0.797 1301 E CB 0.658 30.371 29.700 0.022 0.000 1.182 1301 E HN 0.318 nan 8.360 nan 0.000 0.437 1302 P HA -0.105 nan 4.420 nan 0.000 0.266 1302 P C -0.824 176.465 177.300 -0.019 0.000 1.186 1302 P CA 0.585 63.674 63.100 -0.020 0.000 0.767 1302 P CB 0.612 32.279 31.700 -0.056 0.000 0.820 1303 E N 0.927 121.094 120.200 -0.055 0.000 2.390 1303 E HA 0.418 4.768 4.350 -0.000 0.000 0.277 1303 E C -1.612 174.887 176.600 -0.169 0.000 0.939 1303 E CA -1.012 55.379 56.400 -0.016 0.000 0.769 1303 E CB 0.628 30.398 29.700 0.118 0.000 1.251 1303 E HN 0.261 nan 8.360 nan 0.000 0.450 1304 W N 1.836 123.146 121.300 0.018 0.000 2.287 1304 W HA 0.502 5.162 4.660 -0.000 0.000 0.313 1304 W C -0.702 175.739 176.519 -0.130 0.000 1.267 1304 W CA -0.166 57.143 57.345 -0.061 0.000 1.201 1304 W CB 1.519 30.952 29.460 -0.045 0.000 1.196 1304 W HN 0.287 nan 8.180 nan 0.000 0.536 1305 V N 5.098 124.957 119.914 -0.092 0.000 2.841 1305 V HA 0.428 4.548 4.120 -0.000 0.000 0.310 1305 V C -0.347 175.598 176.094 -0.248 0.000 1.090 1305 V CA -1.263 60.845 62.300 -0.320 0.000 0.930 1305 V CB 1.722 33.090 31.823 -0.759 0.000 1.014 1305 V HN 0.265 nan 8.190 nan 0.000 0.425 1306 L N 3.376 124.482 121.223 -0.196 0.000 2.295 1306 L HA 0.628 4.967 4.340 -0.000 0.000 0.285 1306 L C -0.021 176.777 176.870 -0.120 0.000 1.035 1306 L CA -0.459 54.316 54.840 -0.110 0.000 0.806 1306 L CB 1.284 43.310 42.059 -0.055 0.000 1.214 1306 L HN 0.623 nan 8.230 nan 0.000 0.426 1307 E N 1.856 122.012 120.200 -0.073 0.000 2.179 1307 E HA 0.441 4.791 4.350 -0.000 0.000 0.275 1307 E C -0.789 175.817 176.600 0.010 0.000 0.945 1307 E CA -0.531 55.856 56.400 -0.023 0.000 0.792 1307 E CB 2.522 32.223 29.700 0.001 0.000 1.125 1307 E HN 0.434 nan 8.360 nan 0.000 0.397 1308 T N 1.228 115.793 114.554 0.018 0.000 2.940 1308 T HA 0.233 4.583 4.350 -0.000 0.000 0.288 1308 T C -0.905 173.807 174.700 0.020 0.000 1.033 1308 T CA -0.708 61.405 62.100 0.021 0.000 1.033 1308 T CB 0.867 69.743 68.868 0.014 0.000 1.079 1308 T HN 0.270 nan 8.240 nan 0.000 0.496 1309 D N 1.865 122.275 120.400 0.016 0.000 2.634 1309 D HA 0.537 5.177 4.640 -0.000 0.000 0.318 1309 D C 0.130 176.428 176.300 -0.003 0.000 1.226 1309 D CA 0.066 54.070 54.000 0.007 0.000 0.899 1309 D CB 0.666 41.469 40.800 0.004 0.000 1.025 1309 D HN 0.837 nan 8.370 nan 0.000 0.501 1310 G N -0.899 107.895 108.800 -0.010 0.000 2.347 1310 G HA2 0.338 4.298 3.960 -0.000 0.000 0.303 1310 G HA3 0.338 4.298 3.960 -0.000 0.000 0.303 1310 G C -1.691 173.193 174.900 -0.027 0.000 1.481 1310 G CA -0.654 44.432 45.100 -0.023 0.000 0.914 1310 G HN 0.065 nan 8.290 nan 0.000 0.638 1311 V N 0.713 120.603 119.914 -0.040 0.000 2.876 1311 V HA 0.840 4.960 4.120 -0.000 0.000 0.312 1311 V C -0.522 175.546 176.094 -0.045 0.000 1.085 1311 V CA -0.984 61.292 62.300 -0.041 0.000 0.945 1311 V CB 2.271 34.063 31.823 -0.052 0.000 1.017 1311 V HN 0.890 nan 8.190 nan 0.000 0.428 1312 N N 2.076 120.755 118.700 -0.035 0.000 2.926 1312 N HA 0.096 4.836 4.740 -0.000 0.000 0.201 1312 N C 0.151 175.651 175.510 -0.018 0.000 1.419 1312 N CA -0.265 52.765 53.050 -0.032 0.000 0.838 1312 N CB 0.957 39.422 38.487 -0.036 0.000 1.534 1312 N HN 0.594 nan 8.380 nan 0.000 0.569 1313 L N 1.467 122.679 121.223 -0.018 0.000 1.989 1313 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 1313 L C 2.270 179.143 176.870 0.005 0.000 1.071 1313 L CA 2.719 57.557 54.840 -0.004 0.000 0.749 1313 L CB -0.834 41.220 42.059 -0.009 0.000 0.890 1313 L HN 0.504 nan 8.230 nan 0.000 0.431 1314 S N -1.017 114.682 115.700 -0.001 0.000 2.368 1314 S HA -0.304 4.166 4.470 -0.000 0.000 0.226 1314 S C 1.760 176.364 174.600 0.006 0.000 1.044 1314 S CA 1.871 60.073 58.200 0.003 0.000 1.062 1314 S CB -0.927 62.271 63.200 -0.003 0.000 0.931 1314 S HN 0.679 nan 8.310 nan 0.000 0.440 1315 E N 0.113 120.314 120.200 0.001 0.000 2.489 1315 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 1315 E C 1.299 177.904 176.600 0.010 0.000 1.057 1315 E CA 0.158 56.560 56.400 0.003 0.000 0.866 1315 E CB 0.265 29.963 29.700 -0.003 0.000 0.916 1315 E HN 0.424 nan 8.360 nan 0.000 0.500 1316 V N 0.515 120.437 119.914 0.014 0.000 3.263 1316 V HA -0.047 4.073 4.120 -0.000 0.000 0.248 1316 V C 1.963 178.076 176.094 0.032 0.000 1.145 1316 V CA 0.566 62.879 62.300 0.021 0.000 1.107 1316 V CB -0.027 31.808 31.823 0.021 0.000 0.797 1316 V HN 0.304 nan 8.190 nan 0.000 0.467 1317 M N -0.052 119.568 119.600 0.035 0.000 2.080 1317 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 1317 M C 2.443 178.765 176.300 0.037 0.000 1.068 1317 M CA 2.438 57.764 55.300 0.044 0.000 1.109 1317 M CB -0.682 31.943 32.600 0.042 0.000 1.342 1317 M HN 0.455 nan 8.290 nan 0.000 0.405 1318 T N 0.511 115.081 114.554 0.027 0.000 2.684 1318 T HA -0.081 4.268 4.350 -0.000 0.000 0.267 1318 T C 0.720 175.433 174.700 0.022 0.000 1.036 1318 T CA 0.546 62.659 62.100 0.022 0.000 1.148 1318 T CB -0.378 68.499 68.868 0.016 0.000 0.863 1318 T HN 0.126 nan 8.240 nan 0.000 0.436 1319 V N 5.402 125.328 119.914 0.020 0.000 2.644 1319 V HA 0.060 4.180 4.120 -0.000 0.000 0.303 1319 V C -1.683 174.423 176.094 0.019 0.000 1.058 1319 V CA -0.679 61.630 62.300 0.016 0.000 1.228 1319 V CB -0.097 31.735 31.823 0.015 0.000 0.861 1319 V HN 0.527 nan 8.190 nan 0.000 0.484 1320 P HA 0.301 nan 4.420 nan 0.000 0.274 1320 P C 0.781 178.087 177.300 0.010 0.000 1.231 1320 P CA 0.804 63.913 63.100 0.015 0.000 0.790 1320 P CB 1.329 33.033 31.700 0.007 0.000 0.951 1321 G N 1.584 110.396 108.800 0.021 0.000 2.213 1321 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.226 1321 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.226 1321 G C 0.169 175.099 174.900 0.050 0.000 0.992 1321 G CA 0.200 45.309 45.100 0.015 0.000 0.632 1321 G HN 0.772 nan 8.290 nan 0.000 0.511 1322 I N -1.289 119.316 120.570 0.059 0.000 2.607 1322 I HA 0.774 4.944 4.170 -0.000 0.000 0.305 1322 I C -0.845 175.333 176.117 0.102 0.000 0.995 1322 I CA -1.099 60.253 61.300 0.087 0.000 1.148 1322 I CB 1.924 39.971 38.000 0.079 0.000 1.323 1322 I HN -0.075 nan 8.210 nan 0.000 0.461 1323 D N 6.686 127.167 120.400 0.135 0.000 2.380 1323 D HA 0.270 4.910 4.640 -0.000 0.000 0.230 1323 D C -1.579 174.792 176.300 0.119 0.000 1.154 1323 D CA -2.553 51.518 54.000 0.118 0.000 0.859 1323 D CB 1.322 42.198 40.800 0.126 0.000 1.045 1323 D HN 0.401 nan 8.370 nan 0.000 0.495 1324 P HA -0.067 nan 4.420 nan 0.000 0.234 1324 P C 1.022 178.367 177.300 0.075 0.000 1.167 1324 P CA 0.524 63.673 63.100 0.081 0.000 0.763 1324 P CB 0.500 32.236 31.700 0.059 0.000 0.835 1325 T N 0.213 114.804 114.554 0.062 0.000 2.894 1325 T HA 0.048 4.398 4.350 -0.000 0.000 0.258 1325 T C 1.800 176.519 174.700 0.032 0.000 1.043 1325 T CA 0.948 63.070 62.100 0.038 0.000 1.141 1325 T CB -0.133 68.743 68.868 0.014 0.000 0.873 1325 T HN 0.231 nan 8.240 nan 0.000 0.449 1326 R N 0.300 120.816 120.500 0.028 0.000 2.300 1326 R HA 0.361 4.701 4.340 -0.000 0.000 0.199 1326 R C 0.855 177.246 176.300 0.151 0.000 0.920 1326 R CA -0.184 55.884 56.100 -0.052 0.000 1.046 1326 R CB -0.039 30.074 30.300 -0.311 0.000 0.984 1326 R HN 0.362 nan 8.270 nan 0.000 0.493 1327 I N 1.638 122.363 120.570 0.258 0.000 2.919 1327 I HA -0.202 3.968 4.170 -0.000 0.000 0.303 1327 I C -0.626 175.708 176.117 0.362 0.000 1.221 1327 I CA 0.692 62.190 61.300 0.330 0.000 1.444 1327 I CB 0.207 38.326 38.000 0.198 0.000 1.331 1327 I HN 0.006 nan 8.210 nan 0.000 0.572 1328 Y N 6.054 126.496 120.300 0.237 0.000 2.581 1328 Y HA 0.560 5.110 4.550 -0.000 0.000 0.345 1328 Y C -0.758 175.231 175.900 0.149 0.000 1.036 1328 Y CA -0.575 57.638 58.100 0.189 0.000 1.042 1328 Y CB 2.030 40.630 38.460 0.233 0.000 1.289 1328 Y HN 0.578 nan 8.280 nan 0.000 0.471 1329 T N 2.917 116.961 114.554 -0.850 0.000 2.883 1329 T HA 0.192 4.542 4.350 -0.000 0.000 0.301 1329 T C -0.161 174.014 174.700 -0.875 0.000 1.158 1329 T CA -0.848 60.910 62.100 -0.571 0.000 1.007 1329 T CB 1.249 69.947 68.868 -0.284 0.000 1.186 1329 T HN 0.669 nan 8.240 nan 0.000 0.499 1330 N N -0.424 118.078 118.700 -0.330 0.000 2.280 1330 N HA 0.035 4.774 4.740 -0.000 0.000 0.192 1330 N C 0.351 175.872 175.510 0.019 0.000 1.109 1330 N CA -0.324 52.667 53.050 -0.097 0.000 0.855 1330 N CB 0.385 38.918 38.487 0.076 0.000 0.974 1330 N HN 0.401 nan 8.380 nan 0.000 0.482 1331 S N 0.777 116.421 115.700 -0.093 0.000 2.642 1331 S HA 0.191 4.661 4.470 -0.000 0.000 0.309 1331 S C 0.699 175.223 174.600 -0.127 0.000 1.125 1331 S CA -1.038 57.074 58.200 -0.146 0.000 1.055 1331 S CB -1.017 62.086 63.200 -0.161 0.000 1.157 1331 S HN 0.293 nan 8.310 nan 0.000 0.513 1332 F N 3.258 123.194 119.950 -0.023 0.000 2.269 1332 F HA 0.088 4.615 4.527 -0.000 0.000 0.301 1332 F C 1.549 177.358 175.800 0.015 0.000 1.082 1332 F CA 0.435 58.442 58.000 0.012 0.000 1.360 1332 F CB -0.710 38.326 39.000 0.059 0.000 1.041 1332 F HN 0.465 nan 8.300 nan 0.000 0.512 1333 I N 0.947 121.221 120.570 -0.493 0.000 2.454 1333 I HA -0.235 3.934 4.170 -0.000 0.000 0.254 1333 I C 1.808 177.856 176.117 -0.116 0.000 1.156 1333 I CA 1.412 62.547 61.300 -0.276 0.000 1.433 1333 I CB -0.574 37.205 38.000 -0.368 0.000 1.082 1333 I HN 0.217 nan 8.210 nan 0.000 0.432 1334 D N 0.652 120.983 120.400 -0.115 0.000 2.213 1334 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 1334 D C 2.311 178.601 176.300 -0.017 0.000 0.961 1334 D CA 0.772 54.735 54.000 -0.062 0.000 0.853 1334 D CB 0.293 41.049 40.800 -0.074 0.000 0.967 1334 D HN 0.302 nan 8.370 nan 0.000 0.496 1335 I N 1.163 121.737 120.570 0.007 0.000 2.202 1335 I HA -0.254 3.915 4.170 -0.000 0.000 0.242 1335 I C 2.612 178.769 176.117 0.067 0.000 1.091 1335 I CA 0.732 62.062 61.300 0.050 0.000 1.368 1335 I CB -0.128 37.929 38.000 0.096 0.000 1.058 1335 I HN 0.005 nan 8.210 nan 0.000 0.410 1336 M N 0.992 120.642 119.600 0.082 0.000 2.073 1336 M HA -0.289 4.191 4.480 -0.000 0.000 0.258 1336 M C 1.931 178.261 176.300 0.050 0.000 1.070 1336 M CA 2.069 57.418 55.300 0.081 0.000 1.103 1336 M CB -0.385 32.274 32.600 0.098 0.000 1.321 1336 M HN 0.118 nan 8.290 nan 0.000 0.405 1337 E N -0.388 119.829 120.200 0.029 0.000 2.204 1337 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 1337 E C 1.905 178.516 176.600 0.019 0.000 0.990 1337 E CA 1.411 57.822 56.400 0.017 0.000 0.821 1337 E CB -0.033 29.667 29.700 0.001 0.000 0.750 1337 E HN 0.505 nan 8.360 nan 0.000 0.477 1338 V N 0.237 120.164 119.914 0.023 0.000 3.085 1338 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 1338 V C 1.654 177.767 176.094 0.033 0.000 1.114 1338 V CA 0.716 63.031 62.300 0.024 0.000 1.108 1338 V CB 0.197 32.033 31.823 0.022 0.000 0.798 1338 V HN 0.200 nan 8.190 nan 0.000 0.471 1339 L N 0.100 121.349 121.223 0.043 0.000 2.766 1339 L HA 0.613 4.953 4.340 -0.000 0.000 0.242 1339 L C 0.890 177.789 176.870 0.048 0.000 1.136 1339 L CA 0.525 55.394 54.840 0.048 0.000 0.933 1339 L CB 0.383 42.479 42.059 0.062 0.000 1.241 1339 L HN 0.451 nan 8.230 nan 0.000 0.522 1340 G N 0.802 109.632 108.800 0.049 0.000 2.719 1340 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 1340 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 1340 G C 0.299 175.237 174.900 0.062 0.000 1.201 1340 G CA -0.156 44.974 45.100 0.049 0.000 0.768 1340 G HN 0.092 nan 8.290 nan 0.000 0.629 1341 I N 0.268 120.875 120.570 0.062 0.000 2.236 1341 I HA -0.191 3.979 4.170 -0.000 0.000 0.249 1341 I C 2.414 178.576 176.117 0.075 0.000 1.102 1341 I CA 2.336 63.680 61.300 0.074 0.000 1.365 1341 I CB 0.030 38.069 38.000 0.066 0.000 1.051 1341 I HN 0.716 nan 8.210 nan 0.000 0.420 1342 E N 0.879 121.116 120.200 0.061 0.000 2.077 1342 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 1342 E C 2.189 178.828 176.600 0.066 0.000 0.989 1342 E CA 1.411 57.845 56.400 0.057 0.000 0.800 1342 E CB -0.280 29.445 29.700 0.042 0.000 0.746 1342 E HN 0.675 nan 8.360 nan 0.000 0.452 1343 A N 0.801 123.664 122.820 0.072 0.000 1.858 1343 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 1343 A C 2.515 180.173 177.584 0.124 0.000 1.190 1343 A CA 2.046 54.137 52.037 0.090 0.000 0.617 1343 A CB -1.237 17.816 19.000 0.089 0.000 0.827 1343 A HN 0.351 nan 8.150 nan 0.000 0.443 1344 G N -0.591 108.287 108.800 0.129 0.000 2.513 1344 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 1344 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 1344 G C 1.767 176.761 174.900 0.157 0.000 1.160 1344 G CA 1.207 46.411 45.100 0.172 0.000 0.767 1344 G HN 0.516 nan 8.290 nan 0.000 0.571 1345 R N 0.582 121.152 120.500 0.117 0.000 2.094 1345 R HA -0.113 4.226 4.340 -0.000 0.000 0.239 1345 R C 2.987 179.359 176.300 0.121 0.000 1.137 1345 R CA 1.723 57.881 56.100 0.098 0.000 0.943 1345 R CB -0.592 29.754 30.300 0.076 0.000 0.850 1345 R HN 0.324 nan 8.270 nan 0.000 0.433 1346 A N 0.673 123.563 122.820 0.117 0.000 1.883 1346 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 1346 A C 2.360 180.066 177.584 0.203 0.000 1.186 1346 A CA 2.073 54.190 52.037 0.132 0.000 0.624 1346 A CB -0.850 18.200 19.000 0.084 0.000 0.822 1346 A HN 0.566 nan 8.150 nan 0.000 0.444 1347 A N -0.328 122.623 122.820 0.219 0.000 1.834 1347 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 1347 A C 2.109 179.808 177.584 0.190 0.000 1.203 1347 A CA 1.929 54.147 52.037 0.301 0.000 0.621 1347 A CB -1.005 18.196 19.000 0.336 0.000 0.841 1347 A HN 0.954 nan 8.150 nan 0.000 0.446 1348 L N -1.374 119.870 121.223 0.036 0.000 2.103 1348 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 1348 L C 2.233 179.049 176.870 -0.091 0.000 1.080 1348 L CA 2.754 57.420 54.840 -0.289 0.000 0.764 1348 L CB -1.078 40.778 42.059 -0.338 0.000 0.890 1348 L HN 0.582 nan 8.230 nan 0.000 0.435 1349 Y N 0.149 120.435 120.300 -0.025 0.000 2.130 1349 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 1349 Y C 2.742 178.702 175.900 0.100 0.000 1.124 1349 Y CA 2.229 60.354 58.100 0.042 0.000 1.118 1349 Y CB -0.292 38.221 38.460 0.087 0.000 0.994 1349 Y HN 0.185 nan 8.280 nan 0.000 0.497 1350 K N -0.062 120.498 120.400 0.267 0.000 2.127 1350 K HA -0.303 4.017 4.320 -0.000 0.000 0.208 1350 K C 1.989 178.660 176.600 0.118 0.000 1.047 1350 K CA 2.085 58.471 56.287 0.164 0.000 0.927 1350 K CB -0.146 32.439 32.500 0.142 0.000 0.716 1350 K HN 0.296 nan 8.250 nan 0.000 0.450 1351 E N -0.146 120.120 120.200 0.111 0.000 2.016 1351 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 1351 E C 1.833 178.435 176.600 0.004 0.000 0.985 1351 E CA 1.204 57.662 56.400 0.097 0.000 0.802 1351 E CB -0.173 29.576 29.700 0.081 0.000 0.762 1351 E HN 0.077 nan 8.360 nan 0.000 0.448 1352 V N 0.893 120.747 119.914 -0.100 0.000 2.370 1352 V HA -0.309 3.810 4.120 -0.000 0.000 0.252 1352 V C 2.092 178.103 176.094 -0.139 0.000 1.068 1352 V CA 2.212 64.433 62.300 -0.132 0.000 1.061 1352 V CB -0.743 30.974 31.823 -0.177 0.000 0.656 1352 V HN 0.363 nan 8.190 nan 0.000 0.455 1353 Y N 1.955 122.053 120.300 -0.336 0.000 2.049 1353 Y HA -0.294 4.255 4.550 -0.000 0.000 0.277 1353 Y C 2.665 178.503 175.900 -0.103 0.000 1.143 1353 Y CA 2.297 60.229 58.100 -0.279 0.000 1.115 1353 Y CB -0.492 37.767 38.460 -0.335 0.000 0.975 1353 Y HN 0.265 nan 8.280 nan 0.000 0.487 1354 N N 0.157 118.961 118.700 0.173 0.000 2.091 1354 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 1354 N C 1.939 177.436 175.510 -0.021 0.000 1.021 1354 N CA 1.923 55.036 53.050 0.106 0.000 0.862 1354 N CB -0.832 37.746 38.487 0.152 0.000 1.018 1354 N HN 0.347 nan 8.380 nan 0.000 0.429 1355 V N 1.743 121.639 119.914 -0.031 0.000 2.287 1355 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 1355 V C 2.317 178.361 176.094 -0.083 0.000 1.053 1355 V CA 1.439 63.715 62.300 -0.041 0.000 1.027 1355 V CB -0.435 31.366 31.823 -0.037 0.000 0.646 1355 V HN 0.235 nan 8.190 nan 0.000 0.447 1356 I N 0.245 120.726 120.570 -0.148 0.000 2.233 1356 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 1356 I C 2.721 178.725 176.117 -0.189 0.000 1.093 1356 I CA 1.297 62.495 61.300 -0.170 0.000 1.380 1356 I CB -0.692 37.177 38.000 -0.218 0.000 1.067 1356 I HN 0.260 nan 8.210 nan 0.000 0.413 1357 A N 1.145 123.777 122.820 -0.313 0.000 1.917 1357 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 1357 A C 2.446 179.972 177.584 -0.097 0.000 1.182 1357 A CA 2.443 54.327 52.037 -0.256 0.000 0.633 1357 A CB -1.080 17.718 19.000 -0.336 0.000 0.819 1357 A HN 0.555 nan 8.150 nan 0.000 0.448 1358 S N -0.826 114.836 115.700 -0.064 0.000 2.493 1358 S HA -0.155 4.315 4.470 -0.000 0.000 0.243 1358 S C 1.045 175.631 174.600 -0.024 0.000 0.991 1358 S CA 1.465 59.651 58.200 -0.023 0.000 0.957 1358 S CB -0.362 62.834 63.200 -0.006 0.000 0.756 1358 S HN 0.580 nan 8.310 nan 0.000 0.521 1359 D N 0.437 120.814 120.400 -0.039 0.000 2.363 1359 D HA 0.265 4.905 4.640 -0.000 0.000 0.214 1359 D C 1.468 177.756 176.300 -0.021 0.000 1.093 1359 D CA 0.607 54.591 54.000 -0.027 0.000 0.837 1359 D CB 0.474 41.255 40.800 -0.033 0.000 0.948 1359 D HN 0.576 nan 8.370 nan 0.000 0.507 1360 G N 0.985 109.770 108.800 -0.024 0.000 2.304 1360 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.252 1360 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.252 1360 G C 0.749 175.648 174.900 -0.002 0.000 1.014 1360 G CA 0.518 45.610 45.100 -0.012 0.000 0.619 1360 G HN 0.358 nan 8.290 nan 0.000 0.525 1361 S N -0.217 115.475 115.700 -0.014 0.000 2.572 1361 S HA 0.478 4.948 4.470 -0.000 0.000 0.267 1361 S C -0.267 174.358 174.600 0.041 0.000 1.361 1361 S CA 0.823 59.023 58.200 0.001 0.000 1.009 1361 S CB 1.093 64.270 63.200 -0.037 0.000 0.888 1361 S HN 1.214 nan 8.310 nan 0.000 0.553 1362 Y N -0.390 119.869 120.300 -0.068 0.000 2.544 1362 Y HA 0.636 5.186 4.550 -0.000 0.000 0.342 1362 Y C -1.519 174.374 175.900 -0.012 0.000 1.062 1362 Y CA -1.105 56.960 58.100 -0.058 0.000 1.023 1362 Y CB 1.038 39.487 38.460 -0.018 0.000 1.308 1362 Y HN 0.417 nan 8.280 nan 0.000 0.457 1363 V N 4.608 123.995 119.914 -0.879 0.000 2.891 1363 V HA 0.249 4.369 4.120 -0.000 0.000 0.304 1363 V C -0.773 174.895 176.094 -0.710 0.000 1.171 1363 V CA -1.373 60.517 62.300 -0.683 0.000 0.943 1363 V CB 2.041 33.733 31.823 -0.218 0.000 1.037 1363 V HN 0.867 nan 8.190 nan 0.000 0.427 1364 N N 1.760 120.180 118.700 -0.468 0.000 2.458 1364 N HA 0.005 4.745 4.740 -0.000 0.000 0.258 1364 N C 0.965 176.475 175.510 -0.001 0.000 1.219 1364 N CA 0.124 53.079 53.050 -0.158 0.000 0.902 1364 N CB 0.389 38.764 38.487 -0.185 0.000 1.076 1364 N HN 0.743 nan 8.380 nan 0.000 0.455 1365 Y N 5.017 125.378 120.300 0.102 0.000 2.069 1365 Y HA -0.387 4.163 4.550 -0.000 0.000 0.278 1365 Y C 2.188 178.094 175.900 0.010 0.000 1.175 1365 Y CA 2.451 60.656 58.100 0.175 0.000 1.134 1365 Y CB -0.254 38.298 38.460 0.152 0.000 0.965 1365 Y HN 0.710 nan 8.280 nan 0.000 0.498 1366 R N -0.907 119.400 120.500 -0.321 0.000 2.178 1366 R HA -0.284 4.056 4.340 -0.000 0.000 0.257 1366 R C 1.770 177.860 176.300 -0.351 0.000 1.163 1366 R CA 2.031 57.814 56.100 -0.528 0.000 0.981 1366 R CB -1.407 28.497 30.300 -0.661 0.000 0.878 1366 R HN 0.477 nan 8.270 nan 0.000 0.454 1367 H N 0.936 119.948 119.070 -0.097 0.000 2.284 1367 H HA 0.060 4.615 4.556 -0.000 0.000 0.304 1367 H C 2.342 177.644 175.328 -0.043 0.000 1.069 1367 H CA 1.798 57.823 56.048 -0.039 0.000 1.327 1367 H CB -0.467 29.277 29.762 -0.029 0.000 1.387 1367 H HN 0.222 nan 8.280 nan 0.000 0.498 1368 M N 0.411 120.079 119.600 0.114 0.000 2.159 1368 M HA -0.083 4.396 4.480 -0.000 0.000 0.263 1368 M C 2.727 179.084 176.300 0.095 0.000 1.063 1368 M CA 1.322 56.678 55.300 0.095 0.000 1.110 1368 M CB -0.270 32.385 32.600 0.090 0.000 1.374 1368 M HN 0.245 nan 8.290 nan 0.000 0.411 1369 A N 0.965 123.755 122.820 -0.050 0.000 1.859 1369 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 1369 A C 2.125 179.635 177.584 -0.123 0.000 1.198 1369 A CA 1.951 53.822 52.037 -0.277 0.000 0.629 1369 A CB -1.121 17.288 19.000 -0.985 0.000 0.830 1369 A HN 0.468 nan 8.150 nan 0.000 0.446 1370 L N -0.534 120.629 121.223 -0.100 0.000 2.043 1370 L HA -0.173 4.166 4.340 -0.000 0.000 0.212 1370 L C 2.238 179.112 176.870 0.007 0.000 1.075 1370 L CA 2.457 57.289 54.840 -0.013 0.000 0.752 1370 L CB -1.066 41.031 42.059 0.065 0.000 0.891 1370 L HN 0.409 nan 8.230 nan 0.000 0.432 1371 L N -0.818 120.415 121.223 0.016 0.000 1.970 1371 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 1371 L C 2.469 179.345 176.870 0.011 0.000 1.071 1371 L CA 2.126 56.972 54.840 0.011 0.000 0.751 1371 L CB -1.114 40.948 42.059 0.005 0.000 0.889 1371 L HN 0.093 nan 8.230 nan 0.000 0.432 1372 V N 0.426 120.354 119.914 0.025 0.000 2.380 1372 V HA -0.338 3.782 4.120 -0.000 0.000 0.251 1372 V C 2.332 178.443 176.094 0.028 0.000 1.063 1372 V CA 2.082 64.402 62.300 0.033 0.000 1.055 1372 V CB -0.879 31.004 31.823 0.100 0.000 0.657 1372 V HN 0.547 nan 8.190 nan 0.000 0.455 1373 D N -0.306 120.103 120.400 0.016 0.000 2.103 1373 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 1373 D C 2.227 178.536 176.300 0.015 0.000 0.978 1373 D CA 1.304 55.313 54.000 0.014 0.000 0.829 1373 D CB -0.261 40.538 40.800 -0.001 0.000 0.981 1373 D HN 0.329 nan 8.370 nan 0.000 0.464 1374 V N 1.460 121.380 119.914 0.010 0.000 2.324 1374 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 1374 V C 2.467 178.575 176.094 0.023 0.000 1.060 1374 V CA 1.367 63.673 62.300 0.010 0.000 1.042 1374 V CB -0.423 31.404 31.823 0.007 0.000 0.650 1374 V HN 0.194 nan 8.190 nan 0.000 0.450 1375 M N -1.188 118.429 119.600 0.028 0.000 2.700 1375 M HA -0.116 4.364 4.480 -0.000 0.000 0.249 1375 M C 1.559 177.894 176.300 0.058 0.000 1.082 1375 M CA 1.245 56.572 55.300 0.046 0.000 1.077 1375 M CB -0.068 32.552 32.600 0.033 0.000 1.477 1375 M HN 0.404 nan 8.290 nan 0.000 0.529 1376 T N -1.640 112.942 114.554 0.047 0.000 3.075 1376 T HA 0.007 4.357 4.350 -0.000 0.000 0.251 1376 T C 1.401 176.127 174.700 0.045 0.000 0.979 1376 T CA 0.976 63.109 62.100 0.054 0.000 1.033 1376 T CB 0.013 68.914 68.868 0.056 0.000 1.104 1376 T HN 0.479 nan 8.240 nan 0.000 0.473 1377 T N 2.109 116.683 114.554 0.032 0.000 2.902 1377 T HA -0.274 4.076 4.350 -0.000 0.000 0.260 1377 T C 1.342 176.059 174.700 0.028 0.000 1.064 1377 T CA 1.438 63.553 62.100 0.025 0.000 1.152 1377 T CB -0.603 68.268 68.868 0.005 0.000 0.810 1377 T HN 0.455 nan 8.240 nan 0.000 0.523 1378 Q N 0.735 120.553 119.800 0.030 0.000 2.228 1378 Q HA 0.411 4.751 4.340 -0.000 0.000 0.211 1378 Q C 1.783 177.803 176.000 0.033 0.000 0.890 1378 Q CA 0.163 55.983 55.803 0.028 0.000 0.953 1378 Q CB 0.206 28.957 28.738 0.022 0.000 1.053 1378 Q HN 0.761 nan 8.270 nan 0.000 0.471 1379 G N 0.014 108.838 108.800 0.040 0.000 2.234 1379 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 1379 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 1379 G C 0.321 175.249 174.900 0.048 0.000 0.987 1379 G CA -0.085 45.041 45.100 0.042 0.000 0.625 1379 G HN 0.592 nan 8.290 nan 0.000 0.532 1380 G N -1.109 107.722 108.800 0.051 0.000 2.680 1380 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 1380 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 1380 G C -0.621 174.328 174.900 0.082 0.000 1.355 1380 G CA -1.012 44.125 45.100 0.061 0.000 0.903 1380 G HN 0.666 nan 8.290 nan 0.000 0.474 1381 L N 1.406 122.695 121.223 0.110 0.000 2.385 1381 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 1381 L C 0.229 177.188 176.870 0.149 0.000 1.106 1381 L CA -0.056 54.878 54.840 0.156 0.000 0.856 1381 L CB 0.811 43.016 42.059 0.243 0.000 1.186 1381 L HN 0.314 nan 8.230 nan 0.000 0.453 1382 T N 1.980 116.618 114.554 0.140 0.000 2.795 1382 T HA 0.201 4.551 4.350 -0.000 0.000 0.282 1382 T C 0.146 174.981 174.700 0.226 0.000 0.980 1382 T CA -0.317 61.882 62.100 0.165 0.000 1.012 1382 T CB 1.644 70.576 68.868 0.106 0.000 0.936 1382 T HN 0.545 nan 8.240 nan 0.000 0.457 1383 S N 1.592 117.518 115.700 0.376 0.000 2.617 1383 S HA 0.357 4.826 4.470 -0.000 0.000 0.269 1383 S C 0.980 175.613 174.600 0.054 0.000 1.292 1383 S CA -0.671 57.601 58.200 0.120 0.000 1.010 1383 S CB 0.578 63.667 63.200 -0.184 0.000 0.944 1383 S HN 0.469 nan 8.310 nan 0.000 0.536 1384 V N 2.054 121.944 119.914 -0.039 0.000 3.572 1384 V HA 0.109 4.229 4.120 -0.000 0.000 0.260 1384 V C 0.795 176.823 176.094 -0.109 0.000 1.324 1384 V CA 0.291 62.564 62.300 -0.045 0.000 1.068 1384 V CB 0.255 32.059 31.823 -0.031 0.000 0.837 1384 V HN 0.896 nan 8.190 nan 0.000 0.450 1385 T N 4.845 119.322 114.554 -0.128 0.000 3.826 1385 T HA 0.132 4.482 4.350 -0.000 0.000 0.239 1385 T C 0.451 175.064 174.700 -0.144 0.000 1.007 1385 T CA -0.140 61.896 62.100 -0.106 0.000 1.171 1385 T CB -1.055 67.808 68.868 -0.009 0.000 1.153 1385 T HN 0.749 nan 8.240 nan 0.000 0.854 1386 R N 1.226 121.637 120.500 -0.148 0.000 1.901 1386 R HA -0.259 4.081 4.340 -0.000 0.000 0.318 1386 R C -0.503 175.687 176.300 -0.183 0.000 1.210 1386 R CA 0.648 56.666 56.100 -0.137 0.000 1.206 1386 R CB -0.782 29.447 30.300 -0.119 0.000 3.325 1386 R HN 0.517 nan 8.270 nan 0.000 0.492 1387 H N 2.807 121.812 119.070 -0.108 0.000 2.315 1387 H HA 0.188 4.744 4.556 -0.000 0.000 0.318 1387 H C 1.309 176.534 175.328 -0.173 0.000 1.068 1387 H CA 1.407 57.394 56.048 -0.103 0.000 1.465 1387 H CB -0.077 29.671 29.762 -0.024 0.000 1.475 1387 H HN 0.734 nan 8.280 nan 0.000 0.597 1388 G N -0.525 108.326 108.800 0.085 0.000 2.503 1388 G HA2 0.209 4.169 3.960 -0.000 0.000 0.257 1388 G HA3 0.209 4.169 3.960 -0.000 0.000 0.257 1388 G C -0.076 174.826 174.900 0.003 0.000 1.214 1388 G CA -0.379 44.788 45.100 0.112 0.000 0.839 1388 G HN 0.144 nan 8.290 nan 0.000 0.559 1389 F N -0.288 119.717 119.950 0.092 0.000 2.664 1389 F HA 0.225 4.751 4.527 -0.000 0.000 0.296 1389 F C 0.995 176.867 175.800 0.120 0.000 1.125 1389 F CA -0.191 57.870 58.000 0.101 0.000 1.444 1389 F CB 0.236 39.292 39.000 0.094 0.000 1.114 1389 F HN 0.189 nan 8.300 nan 0.000 0.576 1390 N N 1.148 120.025 118.700 0.295 0.000 2.577 1390 N HA 0.456 5.195 4.740 -0.000 0.000 0.275 1390 N C -0.311 175.280 175.510 0.136 0.000 1.091 1390 N CA -0.237 52.938 53.050 0.209 0.000 0.843 1390 N CB 1.946 40.554 38.487 0.201 0.000 1.295 1390 N HN 0.110 nan 8.380 nan 0.000 0.530 1391 R N -0.184 120.370 120.500 0.091 0.000 4.262 1391 R HA -0.154 4.186 4.340 -0.000 0.000 0.181 1391 R C -0.087 176.238 176.300 0.042 0.000 0.248 1391 R CA 0.628 56.763 56.100 0.057 0.000 0.715 1391 R CB -1.339 28.998 30.300 0.061 0.000 1.177 1391 R HN 0.704 nan 8.270 nan 0.000 0.465 1392 S N -1.810 113.910 115.700 0.034 0.000 2.690 1392 S HA -0.006 4.464 4.470 -0.000 0.000 0.102 1392 S C -0.328 174.282 174.600 0.017 0.000 0.606 1392 S CA 0.113 58.329 58.200 0.028 0.000 1.481 1392 S CB -0.148 63.059 63.200 0.012 0.000 0.774 1392 S HN 0.695 nan 8.310 nan 0.000 0.501 1393 N N 1.091 119.798 118.700 0.012 0.000 3.960 1393 N HA 0.207 4.946 4.740 -0.000 0.000 0.112 1393 N C -1.256 174.255 175.510 0.001 0.000 1.065 1393 N CA 0.828 53.881 53.050 0.006 0.000 2.264 1393 N CB 0.554 39.041 38.487 0.001 0.000 1.563 1393 N HN 0.583 nan 8.380 nan 0.000 0.763 1394 T N -1.419 113.139 114.554 0.006 0.000 2.626 1394 T HA 0.882 5.232 4.350 -0.000 0.000 0.279 1394 T C 0.500 175.206 174.700 0.009 0.000 0.983 1394 T CA -0.442 61.658 62.100 0.001 0.000 1.059 1394 T CB 1.957 70.821 68.868 -0.007 0.000 1.396 1394 T HN 0.223 nan 8.240 nan 0.000 0.519 1395 G N -0.659 108.146 108.800 0.008 0.000 3.015 1395 G HA2 0.594 4.553 3.960 -0.000 0.000 0.281 1395 G HA3 0.594 4.553 3.960 -0.000 0.000 0.281 1395 G C -0.777 174.134 174.900 0.018 0.000 1.386 1395 G CA -0.377 44.734 45.100 0.019 0.000 0.959 1395 G HN 0.822 nan 8.290 nan 0.000 0.522 1396 A N -0.195 122.644 122.820 0.031 0.000 3.105 1396 A HA 0.653 4.972 4.320 -0.000 0.000 0.272 1396 A C 0.631 178.213 177.584 -0.003 0.000 1.466 1396 A CA -0.106 51.934 52.037 0.006 0.000 1.101 1396 A CB -0.850 18.142 19.000 -0.014 0.000 1.065 1396 A HN 0.502 nan 8.150 nan 0.000 0.643 1397 L N -1.982 119.241 121.223 0.000 0.000 2.126 1397 L HA 0.166 4.505 4.340 -0.000 0.000 0.236 1397 L C 0.499 177.355 176.870 -0.023 0.000 1.151 1397 L CA -0.211 54.627 54.840 -0.004 0.000 1.286 1397 L CB -0.373 41.708 42.059 0.038 0.000 2.572 1397 L HN 0.358 nan 8.230 nan 0.000 0.535 1398 M N 2.199 121.786 119.600 -0.022 0.000 2.248 1398 M HA -0.024 4.456 4.480 -0.000 0.000 0.343 1398 M C 0.617 176.879 176.300 -0.063 0.000 1.243 1398 M CA 0.736 56.014 55.300 -0.037 0.000 1.025 1398 M CB 0.025 32.605 32.600 -0.033 0.000 1.759 1398 M HN 0.179 nan 8.290 nan 0.000 0.452 1399 R N 2.321 122.780 120.500 -0.069 0.000 2.879 1399 R HA -0.212 4.128 4.340 -0.000 0.000 0.241 1399 R C 0.036 176.258 176.300 -0.131 0.000 0.845 1399 R CA -0.107 55.936 56.100 -0.095 0.000 0.599 1399 R CB -1.290 28.946 30.300 -0.107 0.000 1.213 1399 R HN 0.931 nan 8.270 nan 0.000 0.510 1400 C N 2.126 121.365 119.300 -0.101 0.000 2.396 1400 C HA -0.133 4.327 4.460 -0.000 0.000 0.328 1400 C C 1.439 176.340 174.990 -0.149 0.000 1.557 1400 C CA 0.816 59.773 59.018 -0.102 0.000 1.584 1400 C CB -2.618 25.081 27.740 -0.068 0.000 1.428 1400 C HN 0.820 nan 8.230 nan 0.000 0.629 1401 S N -0.443 115.099 115.700 -0.263 0.000 2.522 1401 S HA -0.131 4.338 4.470 -0.000 0.000 0.293 1401 S C 0.462 174.808 174.600 -0.424 0.000 1.289 1401 S CA 0.889 58.825 58.200 -0.439 0.000 1.028 1401 S CB -0.323 62.436 63.200 -0.735 0.000 0.756 1401 S HN 0.801 nan 8.310 nan 0.000 0.480 1402 F N -1.541 118.396 119.950 -0.023 0.000 2.398 1402 F HA -0.227 4.299 4.527 -0.000 0.000 0.484 1402 F C 1.077 176.855 175.800 -0.038 0.000 0.537 1402 F CA 0.660 58.644 58.000 -0.027 0.000 1.491 1402 F CB -2.010 36.971 39.000 -0.032 0.000 2.162 1402 F HN 0.843 nan 8.300 nan 0.000 0.263 1403 E N -0.181 120.071 120.200 0.087 0.000 3.253 1403 E HA -0.294 4.056 4.350 -0.000 0.000 0.284 1403 E C 0.292 176.905 176.600 0.021 0.000 0.958 1403 E CA 1.277 57.694 56.400 0.030 0.000 0.917 1403 E CB -0.957 28.758 29.700 0.025 0.000 1.466 1403 E HN 0.689 nan 8.360 nan 0.000 0.455 1404 E N -0.412 119.830 120.200 0.068 0.000 2.411 1404 E HA 0.066 4.416 4.350 -0.000 0.000 0.204 1404 E C 0.602 177.171 176.600 -0.051 0.000 1.059 1404 E CA -0.022 56.381 56.400 0.005 0.000 1.112 1404 E CB 0.344 30.063 29.700 0.031 0.000 1.168 1404 E HN 0.096 nan 8.360 nan 0.000 0.445 1405 T N 0.094 114.607 114.554 -0.069 0.000 3.139 1405 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 1405 T C 1.688 176.252 174.700 -0.227 0.000 1.164 1405 T CA 0.349 62.379 62.100 -0.118 0.000 1.075 1405 T CB 0.076 68.884 68.868 -0.099 0.000 0.904 1405 T HN 0.072 nan 8.240 nan 0.000 0.540 1406 V N 1.205 120.964 119.914 -0.257 0.000 2.249 1406 V HA -0.051 4.068 4.120 -0.000 0.000 0.239 1406 V C 2.394 178.118 176.094 -0.617 0.000 1.038 1406 V CA 1.393 63.418 62.300 -0.458 0.000 1.005 1406 V CB -0.214 31.427 31.823 -0.304 0.000 0.646 1406 V HN 0.436 nan 8.190 nan 0.000 0.455 1407 E N -0.375 119.631 120.200 -0.324 0.000 2.274 1407 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 1407 E C 2.093 178.583 176.600 -0.184 0.000 0.996 1407 E CA 0.862 57.134 56.400 -0.213 0.000 0.840 1407 E CB -0.017 29.613 29.700 -0.116 0.000 0.772 1407 E HN 0.564 nan 8.360 nan 0.000 0.491 1408 I N 0.686 121.147 120.570 -0.181 0.000 2.353 1408 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 1408 I C 2.204 178.191 176.117 -0.217 0.000 1.119 1408 I CA 0.829 62.041 61.300 -0.147 0.000 1.417 1408 I CB -0.061 37.886 38.000 -0.089 0.000 1.078 1408 I HN 0.121 nan 8.210 nan 0.000 0.421 1409 L N -0.302 120.746 121.223 -0.291 0.000 2.072 1409 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 1409 L C 2.497 179.300 176.870 -0.113 0.000 1.079 1409 L CA 1.399 56.046 54.840 -0.321 0.000 0.752 1409 L CB -0.485 41.386 42.059 -0.313 0.000 0.906 1409 L HN 0.159 nan 8.230 nan 0.000 0.436 1410 F N 0.424 120.254 119.950 -0.200 0.000 2.134 1410 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 1410 F C 2.543 178.249 175.800 -0.156 0.000 1.097 1410 F CA 0.912 58.746 58.000 -0.276 0.000 1.264 1410 F CB -0.090 38.498 39.000 -0.686 0.000 1.001 1410 F HN 0.139 nan 8.300 nan 0.000 0.479 1411 E N 0.242 120.440 120.200 -0.004 0.000 2.152 1411 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 1411 E C 2.243 178.813 176.600 -0.051 0.000 0.983 1411 E CA 0.754 57.131 56.400 -0.039 0.000 0.818 1411 E CB -0.177 29.470 29.700 -0.088 0.000 0.758 1411 E HN 0.354 nan 8.360 nan 0.000 0.467 1412 A N 0.973 123.725 122.820 -0.115 0.000 2.015 1412 A HA -0.030 4.289 4.320 -0.000 0.000 0.219 1412 A C 2.294 179.850 177.584 -0.046 0.000 1.163 1412 A CA 1.406 53.334 52.037 -0.183 0.000 0.646 1412 A CB -0.617 18.063 19.000 -0.533 0.000 0.806 1412 A HN 0.338 nan 8.150 nan 0.000 0.448 1413 G N -0.624 108.210 108.800 0.056 0.000 2.408 1413 G HA2 0.142 4.102 3.960 -0.000 0.000 0.215 1413 G HA3 0.142 4.102 3.960 -0.000 0.000 0.215 1413 G C 1.703 176.679 174.900 0.127 0.000 1.156 1413 G CA 1.119 46.329 45.100 0.182 0.000 0.793 1413 G HN 0.668 nan 8.290 nan 0.000 0.535 1414 A N 1.148 124.038 122.820 0.116 0.000 1.841 1414 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 1414 A C 2.003 179.412 177.584 -0.292 0.000 1.199 1414 A CA 1.885 53.869 52.037 -0.088 0.000 0.621 1414 A CB -0.863 18.081 19.000 -0.092 0.000 0.835 1414 A HN 0.811 nan 8.150 nan 0.000 0.445 1415 S N -0.019 115.532 115.700 -0.247 0.000 3.363 1415 S HA 0.572 5.042 4.470 -0.000 0.000 0.267 1415 S C 0.311 174.879 174.600 -0.053 0.000 1.288 1415 S CA -0.105 57.961 58.200 -0.222 0.000 0.948 1415 S CB 0.066 63.141 63.200 -0.208 0.000 1.397 1415 S HN 1.346 nan 8.310 nan 0.000 0.493 1416 A N 2.563 125.392 122.820 0.015 0.000 2.291 1416 A HA -0.094 4.225 4.320 -0.000 0.000 0.313 1416 A C 0.648 178.251 177.584 0.032 0.000 1.108 1416 A CA 0.577 52.656 52.037 0.069 0.000 1.273 1416 A CB -0.753 18.351 19.000 0.174 0.000 0.773 1416 A HN 0.843 nan 8.150 nan 0.000 0.415 1417 E N 0.415 120.669 120.200 0.089 0.000 2.301 1417 E HA 0.404 4.754 4.350 -0.000 0.000 0.275 1417 E C -0.876 175.766 176.600 0.070 0.000 1.030 1417 E CA -0.672 55.792 56.400 0.107 0.000 0.852 1417 E CB 0.901 30.704 29.700 0.173 0.000 1.060 1417 E HN 0.512 nan 8.360 nan 0.000 0.401 1418 L N 4.775 126.005 121.223 0.011 0.000 2.337 1418 L HA 0.280 4.620 4.340 -0.000 0.000 0.269 1418 L C -1.354 175.506 176.870 -0.017 0.000 1.018 1418 L CA -0.479 54.324 54.840 -0.061 0.000 0.876 1418 L CB 0.914 42.925 42.059 -0.080 0.000 1.236 1418 L HN 0.343 nan 8.230 nan 0.000 0.436 1419 D N 2.782 123.172 120.400 -0.015 0.000 2.312 1419 D HA 0.164 4.803 4.640 -0.000 0.000 0.252 1419 D C 0.613 176.897 176.300 -0.027 0.000 1.150 1419 D CA 0.012 54.021 54.000 0.015 0.000 0.870 1419 D CB 1.198 42.043 40.800 0.075 0.000 1.153 1419 D HN 0.448 nan 8.370 nan 0.000 0.457 1420 D N 0.824 121.218 120.400 -0.009 0.000 2.317 1420 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 1420 D C 0.456 176.746 176.300 -0.016 0.000 0.966 1420 D CA 0.265 54.257 54.000 -0.014 0.000 0.876 1420 D CB -0.083 40.717 40.800 -0.000 0.000 0.927 1420 D HN 0.420 nan 8.370 nan 0.000 0.519 1421 C N 0.909 120.201 119.300 -0.012 0.000 4.209 1421 C HA -0.168 4.292 4.460 -0.000 0.000 0.305 1421 C C 1.349 176.331 174.990 -0.013 0.000 1.339 1421 C CA -0.053 58.956 59.018 -0.016 0.000 2.062 1421 C CB -2.320 25.401 27.740 -0.031 0.000 1.307 1421 C HN 0.388 nan 8.230 nan 0.000 0.706 1422 R N -0.172 120.325 120.500 -0.006 0.000 2.437 1422 R HA 0.246 4.586 4.340 -0.000 0.000 0.257 1422 R C 1.038 177.333 176.300 -0.009 0.000 0.927 1422 R CA 0.583 56.681 56.100 -0.003 0.000 1.078 1422 R CB 0.773 31.080 30.300 0.013 0.000 1.161 1422 R HN 0.600 nan 8.270 nan 0.000 0.529 1423 G N 0.138 108.931 108.800 -0.011 0.000 2.348 1423 G HA2 0.285 4.245 3.960 -0.000 0.000 0.312 1423 G HA3 0.285 4.245 3.960 -0.000 0.000 0.312 1423 G C 1.093 175.979 174.900 -0.023 0.000 1.126 1423 G CA -0.587 44.503 45.100 -0.016 0.000 0.865 1423 G HN -0.140 nan 8.290 nan 0.000 0.474 1424 V N 2.181 122.078 119.914 -0.028 0.000 2.233 1424 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 1424 V C 3.173 179.250 176.094 -0.029 0.000 1.063 1424 V CA 3.038 65.319 62.300 -0.032 0.000 1.032 1424 V CB -0.660 31.142 31.823 -0.036 0.000 0.645 1424 V HN 0.895 nan 8.190 nan 0.000 0.446 1425 S N -0.699 114.985 115.700 -0.027 0.000 2.453 1425 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 1425 S C 1.658 176.247 174.600 -0.018 0.000 1.005 1425 S CA 1.299 59.484 58.200 -0.025 0.000 0.949 1425 S CB -0.424 62.759 63.200 -0.029 0.000 0.774 1425 S HN 0.768 nan 8.310 nan 0.000 0.510 1426 E N 1.801 121.993 120.200 -0.015 0.000 2.072 1426 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 1426 E C 1.663 178.258 176.600 -0.009 0.000 0.982 1426 E CA 0.766 57.163 56.400 -0.005 0.000 0.803 1426 E CB -0.280 29.421 29.700 0.001 0.000 0.755 1426 E HN 0.517 nan 8.360 nan 0.000 0.453 1427 N N 0.854 119.544 118.700 -0.018 0.000 2.459 1427 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 1427 N C 1.885 177.382 175.510 -0.022 0.000 1.046 1427 N CA 0.459 53.495 53.050 -0.023 0.000 0.904 1427 N CB 0.250 38.718 38.487 -0.031 0.000 0.964 1427 N HN 0.009 nan 8.380 nan 0.000 0.444 1428 V N 1.889 121.791 119.914 -0.019 0.000 2.261 1428 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 1428 V C 2.162 178.249 176.094 -0.012 0.000 1.047 1428 V CA 1.230 63.520 62.300 -0.017 0.000 1.015 1428 V CB -0.336 31.478 31.823 -0.016 0.000 0.642 1428 V HN 0.226 nan 8.190 nan 0.000 0.446 1429 I N -0.441 120.124 120.570 -0.008 0.000 2.800 1429 I HA -0.209 3.960 4.170 -0.000 0.000 0.266 1429 I C 1.732 177.847 176.117 -0.003 0.000 1.249 1429 I CA 1.379 62.677 61.300 -0.003 0.000 1.458 1429 I CB -0.207 37.796 38.000 0.005 0.000 1.093 1429 I HN 0.284 nan 8.210 nan 0.000 0.466 1430 L N -0.129 121.088 121.223 -0.010 0.000 2.766 1430 L HA 0.323 4.663 4.340 -0.000 0.000 0.242 1430 L C 1.390 178.249 176.870 -0.018 0.000 1.136 1430 L CA 0.150 54.981 54.840 -0.014 0.000 0.933 1430 L CB 0.324 42.370 42.059 -0.021 0.000 1.241 1430 L HN 0.354 nan 8.230 nan 0.000 0.522 1431 G N 0.708 109.498 108.800 -0.017 0.000 2.176 1431 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.252 1431 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.252 1431 G C 0.031 174.916 174.900 -0.026 0.000 1.024 1431 G CA 0.165 45.254 45.100 -0.018 0.000 0.755 1431 G HN 0.457 nan 8.290 nan 0.000 0.507 1432 Q N -1.080 118.702 119.800 -0.030 0.000 2.378 1432 Q HA 0.765 5.104 4.340 -0.000 0.000 0.276 1432 Q C 0.392 176.364 176.000 -0.046 0.000 1.083 1432 Q CA -1.051 54.727 55.803 -0.040 0.000 0.856 1432 Q CB 1.247 29.960 28.738 -0.042 0.000 1.383 1432 Q HN 0.403 nan 8.270 nan 0.000 0.458 1433 M N 0.963 120.527 119.600 -0.060 0.000 2.277 1433 M HA 0.504 4.984 4.480 -0.000 0.000 0.350 1433 M C -0.218 176.041 176.300 -0.069 0.000 1.180 1433 M CA -0.617 54.642 55.300 -0.069 0.000 1.103 1433 M CB 1.343 33.886 32.600 -0.095 0.000 1.577 1433 M HN 0.696 nan 8.290 nan 0.000 0.459 1434 A N 3.457 126.241 122.820 -0.061 0.000 2.332 1434 A HA 0.473 4.792 4.320 -0.000 0.000 0.258 1434 A C -2.097 175.448 177.584 -0.066 0.000 1.087 1434 A CA -1.371 50.634 52.037 -0.054 0.000 0.802 1434 A CB -0.447 18.527 19.000 -0.043 0.000 1.042 1434 A HN 0.633 nan 8.150 nan 0.000 0.489 1435 P HA 0.165 nan 4.420 nan 0.000 0.231 1435 P C -0.720 176.546 177.300 -0.057 0.000 1.756 1435 P CA 0.526 63.593 63.100 -0.056 0.000 0.990 1435 P CB -1.000 30.681 31.700 -0.031 0.000 1.973 1436 I N -3.868 116.665 120.570 -0.062 0.000 2.785 1436 I HA 0.724 4.894 4.170 -0.000 0.000 0.302 1436 I C 0.953 177.045 176.117 -0.041 0.000 1.069 1436 I CA -0.802 60.465 61.300 -0.055 0.000 1.045 1436 I CB 1.944 39.914 38.000 -0.050 0.000 1.236 1436 I HN 0.191 nan 8.210 nan 0.000 0.429 1437 G N 3.512 112.296 108.800 -0.026 0.000 2.674 1437 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.375 1437 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.375 1437 G C 0.880 175.827 174.900 0.078 0.000 1.175 1437 G CA 1.642 46.755 45.100 0.022 0.000 0.925 1437 G HN 0.889 nan 8.290 nan 0.000 0.606 1438 T N 1.125 115.702 114.554 0.039 0.000 2.751 1438 T HA -0.071 4.278 4.350 -0.000 0.000 0.268 1438 T C 1.967 176.485 174.700 -0.304 0.000 1.045 1438 T CA 2.432 64.518 62.100 -0.024 0.000 1.142 1438 T CB -0.573 68.273 68.868 -0.037 0.000 0.851 1438 T HN 1.237 nan 8.240 nan 0.000 0.474 1439 G N -0.505 108.153 108.800 -0.237 0.000 3.707 1439 G HA2 0.479 4.438 3.960 -0.000 0.000 0.286 1439 G HA3 0.479 4.438 3.960 -0.000 0.000 0.286 1439 G C 0.561 175.304 174.900 -0.262 0.000 1.112 1439 G CA 0.282 45.189 45.100 -0.320 0.000 0.861 1439 G HN 0.473 nan 8.290 nan 0.000 0.534 1440 A N 0.672 123.393 122.820 -0.165 0.000 2.797 1440 A HA 0.703 5.023 4.320 -0.000 0.000 0.287 1440 A C -0.191 177.605 177.584 0.354 0.000 1.369 1440 A CA -0.521 51.564 52.037 0.079 0.000 0.968 1440 A CB -0.899 18.170 19.000 0.116 0.000 1.069 1440 A HN 0.915 nan 8.150 nan 0.000 0.571 1441 F N -3.653 116.321 119.950 0.040 0.000 2.767 1441 F HA 0.416 4.943 4.527 -0.000 0.000 0.317 1441 F C -1.774 174.021 175.800 -0.009 0.000 1.119 1441 F CA -1.530 56.480 58.000 0.017 0.000 0.971 1441 F CB 0.264 39.285 39.000 0.036 0.000 1.251 1441 F HN -0.111 nan 8.300 nan 0.000 0.450 1442 D N 1.977 122.436 120.400 0.097 0.000 2.193 1442 D HA 0.573 5.213 4.640 -0.000 0.000 0.249 1442 D C -0.680 175.681 176.300 0.101 0.000 1.034 1442 D CA -0.297 53.711 54.000 0.013 0.000 0.902 1442 D CB 2.810 43.610 40.800 0.000 0.000 1.182 1442 D HN 0.456 nan 8.370 nan 0.000 0.436 1443 V N 2.948 122.892 119.914 0.048 0.000 2.472 1443 V HA 0.499 4.619 4.120 -0.000 0.000 0.290 1443 V C 0.355 176.468 176.094 0.032 0.000 1.037 1443 V CA -0.351 61.994 62.300 0.076 0.000 0.908 1443 V CB 1.329 33.193 31.823 0.068 0.000 0.985 1443 V HN 0.440 nan 8.190 nan 0.000 0.454 1444 M N 3.841 123.460 119.600 0.031 0.000 2.667 1444 M HA 0.596 5.076 4.480 -0.000 0.000 0.286 1444 M C -0.740 175.568 176.300 0.014 0.000 1.270 1444 M CA -0.643 54.666 55.300 0.015 0.000 0.826 1444 M CB 2.399 35.004 32.600 0.009 0.000 1.743 1444 M HN 0.327 nan 8.290 nan 0.000 0.460 1445 I N 0.000 120.576 120.570 0.011 0.000 2.984 1445 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1445 I CA 0.000 61.307 61.300 0.012 0.000 1.566 1445 I CB 0.000 38.009 38.000 0.015 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494