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 3k7a_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 VPSXXXXXXL 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 0.000 176.079 176.094 -0.024 0.000 1.182 2 V CA 0.000 62.284 62.300 -0.027 0.000 1.235 2 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 3 G N -0.224 108.562 108.800 -0.023 0.000 3.192 3 G HA2 0.389 4.349 3.960 -0.000 0.000 0.239 3 G HA3 0.389 4.349 3.960 -0.000 0.000 0.239 3 G C 0.297 175.187 174.900 -0.016 0.000 1.084 3 G CA 0.185 45.271 45.100 -0.023 0.000 0.784 3 G HN 0.483 nan 8.290 nan 0.000 0.540 4 Q N -0.095 119.697 119.800 -0.014 0.000 2.394 4 Q HA 0.488 4.828 4.340 -0.000 0.000 0.166 4 Q C 0.310 176.314 176.000 0.007 0.000 1.037 4 Q CA -0.399 55.401 55.803 -0.006 0.000 1.023 4 Q CB 0.522 29.253 28.738 -0.011 0.000 2.067 4 Q HN 0.220 nan 8.270 nan 0.000 0.502 5 Q N -0.491 119.321 119.800 0.019 0.000 2.199 5 Q HA 0.230 4.570 4.340 -0.000 0.000 0.232 5 Q C -1.072 174.972 176.000 0.073 0.000 0.969 5 Q CA -0.542 55.293 55.803 0.053 0.000 0.925 5 Q CB 0.541 29.313 28.738 0.056 0.000 1.198 5 Q HN 0.452 nan 8.270 nan 0.000 0.494 6 Y N 0.753 121.051 120.300 -0.004 0.000 2.385 6 Y HA 0.039 4.589 4.550 -0.000 0.000 0.346 6 Y C -0.039 175.862 175.900 0.001 0.000 1.270 6 Y CA 0.711 58.810 58.100 -0.002 0.000 1.472 6 Y CB 0.755 39.214 38.460 -0.001 0.000 1.354 6 Y HN 0.600 nan 8.280 nan 0.000 0.611 7 S N 0.380 115.998 115.700 -0.137 0.000 2.540 7 S HA 0.291 4.761 4.470 -0.000 0.000 0.275 7 S C 0.020 174.652 174.600 0.053 0.000 1.123 7 S CA -0.245 57.961 58.200 0.010 0.000 0.907 7 S CB 1.293 64.460 63.200 -0.054 0.000 1.081 7 S HN 0.740 nan 8.310 nan 0.000 0.476 8 S N 1.425 117.212 115.700 0.145 0.000 2.522 8 S HA 0.310 4.780 4.470 -0.000 0.000 0.227 8 S C 0.971 175.604 174.600 0.056 0.000 0.986 8 S CA 0.096 58.379 58.200 0.139 0.000 0.929 8 S CB -0.589 62.680 63.200 0.115 0.000 0.769 8 S HN 1.345 nan 8.310 nan 0.000 0.529 9 A N 3.691 126.521 122.820 0.017 0.000 2.440 9 A HA 0.533 4.853 4.320 -0.000 0.000 0.251 9 A C -1.932 175.633 177.584 -0.030 0.000 1.089 9 A CA -1.348 50.686 52.037 -0.004 0.000 0.779 9 A CB -0.302 18.692 19.000 -0.009 0.000 1.022 9 A HN 0.370 nan 8.150 nan 0.000 0.492 10 P HA 0.285 nan 4.420 nan 0.000 0.275 10 P C -0.686 176.589 177.300 -0.043 0.000 1.227 10 P CA -0.372 62.710 63.100 -0.030 0.000 0.781 10 P CB 0.782 32.474 31.700 -0.013 0.000 0.906 11 L N 4.256 125.446 121.223 -0.055 0.000 2.326 11 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 11 L C 0.106 176.952 176.870 -0.040 0.000 1.092 11 L CA 0.370 55.176 54.840 -0.056 0.000 0.810 11 L CB 0.204 42.220 42.059 -0.071 0.000 1.153 11 L HN 0.375 nan 8.230 nan 0.000 0.439 12 R N 2.549 123.027 120.500 -0.037 0.000 2.781 12 R HA 0.514 4.854 4.340 -0.000 0.000 0.269 12 R C -1.121 175.160 176.300 -0.032 0.000 1.025 12 R CA -0.921 55.161 56.100 -0.031 0.000 0.914 12 R CB 1.842 32.126 30.300 -0.027 0.000 1.236 12 R HN 0.581 nan 8.270 nan 0.000 0.465 13 T N 1.118 115.654 114.554 -0.031 0.000 2.829 13 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 13 T C 0.128 174.806 174.700 -0.035 0.000 0.990 13 T CA -0.618 61.462 62.100 -0.032 0.000 1.028 13 T CB 1.658 70.508 68.868 -0.030 0.000 0.951 13 T HN 0.184 nan 8.240 nan 0.000 0.460 14 V N 4.553 124.443 119.914 -0.040 0.000 2.572 14 V HA 0.164 4.283 4.120 -0.000 0.000 0.291 14 V C 1.028 177.095 176.094 -0.046 0.000 1.039 14 V CA 0.031 62.302 62.300 -0.048 0.000 1.055 14 V CB 0.551 32.340 31.823 -0.057 0.000 0.969 14 V HN 0.810 nan 8.190 nan 0.000 0.482 15 K N 2.554 122.925 120.400 -0.049 0.000 2.435 15 K HA 0.378 4.698 4.320 -0.000 0.000 0.199 15 K C 0.247 176.817 176.600 -0.050 0.000 1.153 15 K CA 0.218 56.480 56.287 -0.042 0.000 0.974 15 K CB 1.213 33.693 32.500 -0.034 0.000 0.997 15 K HN 0.752 nan 8.250 nan 0.000 0.547 16 E N 0.426 120.583 120.200 -0.071 0.000 2.366 16 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 16 E C -1.313 175.196 176.600 -0.152 0.000 0.923 16 E CA -0.703 55.641 56.400 -0.094 0.000 0.761 16 E CB 3.070 32.717 29.700 -0.090 0.000 1.231 16 E HN -0.295 nan 8.360 nan 0.000 0.443 17 V N 2.637 122.433 119.914 -0.196 0.000 2.380 17 V HA 0.135 4.255 4.120 -0.000 0.000 0.272 17 V C -0.514 175.269 176.094 -0.519 0.000 1.011 17 V CA -0.756 61.318 62.300 -0.376 0.000 0.826 17 V CB 1.229 32.815 31.823 -0.396 0.000 1.040 17 V HN 0.548 nan 8.190 nan 0.000 0.441 18 Q N 3.502 123.004 119.800 -0.497 0.000 2.348 18 Q HA 0.375 4.715 4.340 -0.000 0.000 0.251 18 Q C -0.596 175.068 176.000 -0.561 0.000 1.113 18 Q CA 0.097 55.580 55.803 -0.534 0.000 0.902 18 Q CB 0.485 28.805 28.738 -0.697 0.000 1.333 18 Q HN 0.562 nan 8.270 nan 0.000 0.457 19 F N 0.578 120.366 119.950 -0.269 0.000 2.382 19 F HA 0.570 5.097 4.527 -0.000 0.000 0.331 19 F C 1.362 177.067 175.800 -0.159 0.000 1.121 19 F CA 0.625 58.511 58.000 -0.191 0.000 1.183 19 F CB 1.346 40.262 39.000 -0.139 0.000 1.207 19 F HN 0.546 nan 8.300 nan 0.000 0.555 20 G N 1.350 110.216 108.800 0.111 0.000 2.428 20 G HA2 0.571 4.531 3.960 -0.000 0.000 0.305 20 G HA3 0.571 4.531 3.960 -0.000 0.000 0.305 20 G C -2.114 172.828 174.900 0.070 0.000 1.260 20 G CA -0.978 44.195 45.100 0.122 0.000 0.853 20 G HN 0.513 nan 8.290 nan 0.000 0.480 21 L N -0.186 121.091 121.223 0.090 0.000 2.370 21 L HA 0.545 4.885 4.340 -0.000 0.000 0.266 21 L C -0.855 175.939 176.870 -0.126 0.000 1.002 21 L CA -0.698 54.173 54.840 0.052 0.000 0.818 21 L CB 2.714 44.887 42.059 0.189 0.000 1.325 21 L HN 0.472 nan 8.230 nan 0.000 0.418 22 F N 1.494 121.362 119.950 -0.138 0.000 2.462 22 F HA 0.100 4.627 4.527 -0.000 0.000 0.360 22 F C 0.929 176.349 175.800 -0.634 0.000 1.134 22 F CA -0.672 57.141 58.000 -0.313 0.000 1.148 22 F CB 1.061 39.973 39.000 -0.146 0.000 1.147 22 F HN 0.524 nan 8.300 nan 0.000 0.550 23 S N 5.572 120.694 115.700 -0.963 0.000 2.525 23 S HA 0.032 4.502 4.470 -0.000 0.000 0.285 23 S C -1.607 172.718 174.600 -0.459 0.000 1.283 23 S CA -1.300 56.086 58.200 -1.357 0.000 1.072 23 S CB 0.715 63.188 63.200 -1.211 0.000 0.867 23 S HN 0.430 nan 8.310 nan 0.000 0.492 24 P HA -0.168 nan 4.420 nan 0.000 0.221 24 P C 0.828 178.078 177.300 -0.082 0.000 1.141 24 P CA 1.214 64.274 63.100 -0.067 0.000 0.794 24 P CB 0.142 31.874 31.700 0.053 0.000 0.764 25 E N -0.063 120.080 120.200 -0.094 0.000 2.028 25 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 25 E C 2.168 178.682 176.600 -0.142 0.000 0.984 25 E CA 0.988 57.340 56.400 -0.080 0.000 0.800 25 E CB -0.671 29.013 29.700 -0.027 0.000 0.758 25 E HN 0.359 nan 8.360 nan 0.000 0.448 26 E N 0.153 120.243 120.200 -0.183 0.000 2.110 26 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 26 E C 1.882 178.289 176.600 -0.322 0.000 0.988 26 E CA 0.942 57.228 56.400 -0.191 0.000 0.804 26 E CB 0.171 29.801 29.700 -0.116 0.000 0.745 26 E HN 0.050 nan 8.360 nan 0.000 0.458 27 V N 1.208 120.869 119.914 -0.422 0.000 2.332 27 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 27 V C 2.368 178.249 176.094 -0.355 0.000 1.055 27 V CA 2.187 64.174 62.300 -0.521 0.000 1.038 27 V CB -0.516 31.076 31.823 -0.384 0.000 0.651 27 V HN 0.276 nan 8.190 nan 0.000 0.450 28 R N 0.221 120.522 120.500 -0.333 0.000 2.075 28 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 28 R C 2.415 178.529 176.300 -0.310 0.000 1.126 28 R CA 1.356 57.171 56.100 -0.474 0.000 0.963 28 R CB -0.577 29.484 30.300 -0.398 0.000 0.858 28 R HN 0.518 nan 8.270 nan 0.000 0.435 29 A N 0.960 123.652 122.820 -0.214 0.000 2.015 29 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 29 A C 2.067 179.576 177.584 -0.124 0.000 1.163 29 A CA 1.032 52.983 52.037 -0.143 0.000 0.646 29 A CB -0.293 18.644 19.000 -0.105 0.000 0.806 29 A HN 0.176 nan 8.150 nan 0.000 0.448 30 I N 0.100 120.576 120.570 -0.158 0.000 2.400 30 I HA -0.079 4.091 4.170 -0.000 0.000 0.248 30 I C 1.691 177.767 176.117 -0.068 0.000 1.109 30 I CA 0.657 61.889 61.300 -0.114 0.000 1.425 30 I CB -0.201 37.687 38.000 -0.186 0.000 1.094 30 I HN 0.436 nan 8.210 nan 0.000 0.425 31 S N 0.768 116.406 115.700 -0.104 0.000 2.572 31 S HA 0.040 4.510 4.470 -0.000 0.000 0.267 31 S C 0.750 175.342 174.600 -0.014 0.000 1.361 31 S CA 0.079 58.265 58.200 -0.024 0.000 1.009 31 S CB 1.445 64.613 63.200 -0.054 0.000 0.888 31 S HN 0.215 nan 8.310 nan 0.000 0.553 32 V N -1.985 117.951 119.914 0.038 0.000 3.408 32 V HA 0.585 4.705 4.120 -0.000 0.000 0.263 32 V C 0.934 177.055 176.094 0.045 0.000 1.503 32 V CA 0.180 62.492 62.300 0.021 0.000 1.046 32 V CB -1.127 30.697 31.823 0.002 0.000 0.851 32 V HN 1.091 nan 8.190 nan 0.000 0.435 33 A N 0.935 123.804 122.820 0.081 0.000 2.240 33 A HA 0.788 5.108 4.320 -0.000 0.000 0.292 33 A C 0.796 178.462 177.584 0.137 0.000 1.121 33 A CA 0.208 52.297 52.037 0.088 0.000 0.851 33 A CB 1.234 20.278 19.000 0.074 0.000 1.167 33 A HN 0.373 nan 8.150 nan 0.000 0.503 34 K N -1.052 119.404 120.400 0.094 0.000 2.603 34 K HA 0.357 4.677 4.320 -0.000 0.000 0.205 34 K C -0.742 175.853 176.600 -0.009 0.000 1.500 34 K CA 0.140 56.468 56.287 0.068 0.000 1.059 34 K CB 0.329 32.876 32.500 0.077 0.000 1.416 34 K HN 0.569 nan 8.250 nan 0.000 0.562 35 I N 2.803 123.389 120.570 0.027 0.000 8.030 35 I HA -0.358 3.812 4.170 -0.000 0.000 0.126 35 I C 0.348 176.468 176.117 0.005 0.000 1.796 35 I CA 0.468 61.781 61.300 0.023 0.000 2.138 35 I CB -0.679 37.318 38.000 -0.005 0.000 3.659 35 I HN 0.309 nan 8.210 nan 0.000 0.199 36 R N 3.326 123.869 120.500 0.071 0.000 2.142 36 R HA 0.310 4.650 4.340 -0.000 0.000 0.204 36 R C 0.162 176.382 176.300 -0.135 0.000 1.059 36 R CA 0.737 56.821 56.100 -0.027 0.000 1.055 36 R CB 0.325 30.644 30.300 0.033 0.000 0.976 36 R HN 0.329 nan 8.270 nan 0.000 0.483 37 F N 1.754 121.692 119.950 -0.020 0.000 2.421 37 F HA 0.300 4.827 4.527 -0.000 0.000 0.337 37 F C -1.432 174.359 175.800 -0.014 0.000 1.105 37 F CA -2.666 55.325 58.000 -0.015 0.000 1.049 37 F CB 1.571 40.565 39.000 -0.011 0.000 1.139 37 F HN -0.123 nan 8.300 nan 0.000 0.479 38 P HA 0.004 nan 4.420 nan 0.000 0.249 38 P C -0.346 177.013 177.300 0.098 0.000 1.229 38 P CA 0.524 63.669 63.100 0.075 0.000 0.788 38 P CB 0.235 31.951 31.700 0.027 0.000 1.072 39 E N -0.557 119.733 120.200 0.149 0.000 2.342 39 E HA 0.189 4.539 4.350 -0.000 0.000 0.257 39 E C 0.805 177.447 176.600 0.071 0.000 1.150 39 E CA -0.022 56.439 56.400 0.101 0.000 0.926 39 E CB 0.616 30.374 29.700 0.097 0.000 1.074 39 E HN -0.052 nan 8.360 nan 0.000 0.449 40 T N -0.130 114.450 114.554 0.044 0.000 3.234 40 T HA 0.100 4.450 4.350 -0.000 0.000 0.235 40 T C 1.493 176.193 174.700 -0.000 0.000 0.971 40 T CA 0.428 62.544 62.100 0.028 0.000 1.292 40 T CB 0.091 68.979 68.868 0.034 0.000 0.994 40 T HN 0.310 nan 8.240 nan 0.000 0.412 41 M N 0.179 119.774 119.600 -0.008 0.000 2.971 41 M HA 0.286 4.766 4.480 -0.000 0.000 0.238 41 M C -0.270 176.008 176.300 -0.037 0.000 1.582 41 M CA 0.056 55.341 55.300 -0.024 0.000 1.223 41 M CB 0.500 33.088 32.600 -0.020 0.000 1.238 41 M HN -0.024 nan 8.290 nan 0.000 0.568 42 D N 3.018 123.399 120.400 -0.030 0.000 2.443 42 D HA 0.073 4.713 4.640 -0.000 0.000 0.239 42 D C -0.570 175.696 176.300 -0.056 0.000 1.136 42 D CA 0.765 54.744 54.000 -0.035 0.000 0.879 42 D CB 0.624 41.411 40.800 -0.022 0.000 1.195 42 D HN 0.274 nan 8.370 nan 0.000 0.443 43 E N 0.623 120.790 120.200 -0.055 0.000 2.402 43 E HA 0.167 4.517 4.350 -0.000 0.000 0.244 43 E C -0.610 175.961 176.600 -0.048 0.000 0.945 43 E CA -0.511 55.848 56.400 -0.068 0.000 0.774 43 E CB 0.948 30.603 29.700 -0.075 0.000 1.296 43 E HN 0.247 nan 8.360 nan 0.000 0.414 44 T N 2.557 117.086 114.554 -0.041 0.000 3.795 44 T HA -0.307 4.043 4.350 -0.000 0.000 0.370 44 T C 0.758 175.445 174.700 -0.023 0.000 0.761 44 T CA 1.480 63.564 62.100 -0.027 0.000 1.923 44 T CB -1.390 67.463 68.868 -0.025 0.000 1.795 44 T HN 0.874 nan 8.240 nan 0.000 0.762 45 Q N -2.621 117.166 119.800 -0.022 0.000 3.374 45 Q HA -0.196 4.144 4.340 -0.000 0.000 0.194 45 Q C 0.543 176.529 176.000 -0.022 0.000 2.268 45 Q CA 1.924 57.716 55.803 -0.018 0.000 0.784 45 Q CB -1.956 26.774 28.738 -0.014 0.000 0.709 45 Q HN 0.695 nan 8.270 nan 0.000 0.836 46 T N 2.797 117.336 114.554 -0.025 0.000 2.750 46 T HA 0.013 4.363 4.350 -0.000 0.000 0.277 46 T C 0.185 174.867 174.700 -0.029 0.000 0.996 46 T CA 0.485 62.569 62.100 -0.026 0.000 1.195 46 T CB 0.099 68.950 68.868 -0.029 0.000 0.963 46 T HN 0.100 nan 8.240 nan 0.000 0.516 47 R N 2.356 122.840 120.500 -0.026 0.000 2.347 47 R HA 0.499 4.839 4.340 -0.000 0.000 0.304 47 R C 0.520 176.803 176.300 -0.028 0.000 1.072 47 R CA -0.039 56.045 56.100 -0.026 0.000 0.980 47 R CB 0.624 30.910 30.300 -0.024 0.000 0.986 47 R HN 0.818 nan 8.270 nan 0.000 0.448 48 A N 3.178 125.980 122.820 -0.031 0.000 2.697 48 A HA 0.404 4.724 4.320 -0.000 0.000 0.111 48 A C -1.295 176.269 177.584 -0.032 0.000 1.504 48 A CA -0.509 51.510 52.037 -0.031 0.000 2.637 48 A CB 0.886 19.865 19.000 -0.035 0.000 2.822 48 A HN 0.489 nan 8.150 nan 0.000 1.206 49 K N 0.056 120.433 120.400 -0.039 0.000 2.609 49 K HA 0.480 4.800 4.320 -0.000 0.000 0.261 49 K C -1.601 174.966 176.600 -0.054 0.000 0.945 49 K CA -0.258 56.006 56.287 -0.038 0.000 0.898 49 K CB 1.544 34.029 32.500 -0.025 0.000 1.349 49 K HN 0.586 nan 8.250 nan 0.000 0.420 50 I N 0.378 120.905 120.570 -0.073 0.000 2.886 50 I HA 0.175 4.345 4.170 -0.000 0.000 0.299 50 I C 1.728 177.807 176.117 -0.063 0.000 1.044 50 I CA -0.268 60.960 61.300 -0.119 0.000 1.310 50 I CB 0.803 38.663 38.000 -0.234 0.000 1.441 50 I HN 0.843 nan 8.210 nan 0.000 0.578 51 G N 2.166 110.931 108.800 -0.059 0.000 2.916 51 G HA2 0.077 4.037 3.960 -0.000 0.000 0.205 51 G HA3 0.077 4.037 3.960 -0.000 0.000 0.205 51 G C 0.885 175.828 174.900 0.071 0.000 1.163 51 G CA 0.474 45.580 45.100 0.010 0.000 0.821 51 G HN 0.901 nan 8.290 nan 0.000 0.515 52 G N 0.232 109.083 108.800 0.084 0.000 3.056 52 G HA2 0.313 4.273 3.960 -0.000 0.000 0.175 52 G HA3 0.313 4.273 3.960 -0.000 0.000 0.175 52 G C 0.648 175.596 174.900 0.079 0.000 1.894 52 G CA -0.487 44.705 45.100 0.154 0.000 0.910 52 G HN 0.302 nan 8.290 nan 0.000 0.462 53 L N 0.881 122.143 121.223 0.065 0.000 2.456 53 L HA 0.077 4.417 4.340 -0.000 0.000 0.246 53 L C 0.502 177.383 176.870 0.019 0.000 1.238 53 L CA -0.270 54.590 54.840 0.034 0.000 0.826 53 L CB -0.007 42.073 42.059 0.034 0.000 1.150 53 L HN 0.679 nan 8.230 nan 0.000 0.514 54 N N 0.958 119.662 118.700 0.006 0.000 3.044 54 N HA -0.271 4.469 4.740 -0.000 0.000 0.308 54 N C -0.616 174.895 175.510 0.000 0.000 1.097 54 N CA 1.408 54.456 53.050 -0.003 0.000 0.828 54 N CB -0.533 37.947 38.487 -0.013 0.000 0.968 54 N HN 0.862 nan 8.380 nan 0.000 0.623 55 D N 0.274 120.677 120.400 0.006 0.000 2.085 55 D HA 0.075 4.715 4.640 -0.000 0.000 0.083 55 D C -1.763 174.541 176.300 0.007 0.000 1.492 55 D CA 0.244 54.246 54.000 0.003 0.000 1.029 55 D CB -0.735 40.062 40.800 -0.005 0.000 2.898 55 D HN 0.139 nan 8.370 nan 0.000 0.207 56 P HA -0.161 nan 4.420 nan 0.000 0.222 56 P C 0.616 177.917 177.300 0.001 0.000 1.157 56 P CA 2.366 65.471 63.100 0.008 0.000 0.905 56 P CB 0.031 31.744 31.700 0.022 0.000 0.792 57 R N -3.684 116.817 120.500 0.002 0.000 2.551 57 R HA 0.246 4.586 4.340 -0.000 0.000 0.316 57 R C 0.738 177.033 176.300 -0.009 0.000 0.934 57 R CA -0.222 55.867 56.100 -0.019 0.000 1.117 57 R CB 0.157 30.434 30.300 -0.038 0.000 1.626 57 R HN 0.146 nan 8.270 nan 0.000 0.513 58 L N 0.383 121.627 121.223 0.035 0.000 2.464 58 L HA 0.287 4.627 4.340 -0.000 0.000 0.224 58 L C 1.422 178.354 176.870 0.103 0.000 1.219 58 L CA -0.157 54.743 54.840 0.100 0.000 0.831 58 L CB -0.168 41.930 42.059 0.064 0.000 1.284 58 L HN 0.056 nan 8.230 nan 0.000 0.522 59 G N -0.364 108.510 108.800 0.125 0.000 2.744 59 G HA2 0.300 4.260 3.960 -0.000 0.000 0.257 59 G HA3 0.300 4.260 3.960 -0.000 0.000 0.257 59 G C -0.013 174.904 174.900 0.029 0.000 1.244 59 G CA 0.192 45.337 45.100 0.074 0.000 0.916 59 G HN 0.770 nan 8.290 nan 0.000 0.564 60 S N -1.581 114.128 115.700 0.015 0.000 2.900 60 S HA 0.798 5.268 4.470 -0.000 0.000 0.320 60 S C -0.152 174.442 174.600 -0.009 0.000 1.130 60 S CA -0.880 57.321 58.200 0.002 0.000 0.863 60 S CB 1.324 64.526 63.200 0.003 0.000 1.295 60 S HN 0.561 nan 8.310 nan 0.000 0.596 61 I N -0.817 119.745 120.570 -0.013 0.000 3.660 61 I HA 0.455 4.625 4.170 -0.000 0.000 0.287 61 I C -0.527 175.580 176.117 -0.017 0.000 1.142 61 I CA -0.964 60.325 61.300 -0.018 0.000 1.121 61 I CB 0.838 38.823 38.000 -0.025 0.000 1.373 61 I HN 0.652 nan 8.210 nan 0.000 0.473 62 D N 1.268 121.656 120.400 -0.020 0.000 3.018 62 D HA -0.203 4.437 4.640 -0.000 0.000 0.224 62 D C -0.110 176.182 176.300 -0.014 0.000 1.185 62 D CA 1.056 55.045 54.000 -0.018 0.000 0.858 62 D CB -0.583 40.206 40.800 -0.018 0.000 1.112 62 D HN 0.603 nan 8.370 nan 0.000 0.415 63 R N -1.090 119.403 120.500 -0.012 0.000 3.267 63 R HA -0.183 4.157 4.340 -0.000 0.000 0.254 63 R C -0.610 175.686 176.300 -0.006 0.000 0.993 63 R CA 0.562 56.657 56.100 -0.008 0.000 0.670 63 R CB -1.476 28.820 30.300 -0.008 0.000 1.125 63 R HN 0.215 nan 8.270 nan 0.000 0.434 64 N N 0.801 119.498 118.700 -0.005 0.000 2.408 64 N HA 0.197 4.937 4.740 -0.000 0.000 0.280 64 N C 1.309 176.821 175.510 0.002 0.000 1.002 64 N CA -0.527 52.521 53.050 -0.003 0.000 0.907 64 N CB 1.195 39.679 38.487 -0.005 0.000 1.161 64 N HN 0.099 nan 8.380 nan 0.000 0.488 65 L N 0.925 122.150 121.223 0.003 0.000 2.191 65 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 65 L C 0.782 177.660 176.870 0.013 0.000 1.103 65 L CA 1.039 55.883 54.840 0.008 0.000 0.769 65 L CB -0.285 41.778 42.059 0.007 0.000 0.908 65 L HN 0.268 nan 8.230 nan 0.000 0.438 66 K N 0.604 121.009 120.400 0.008 0.000 2.484 66 K HA 0.080 4.399 4.320 -0.000 0.000 0.280 66 K C -0.317 176.292 176.600 0.016 0.000 1.013 66 K CA 0.171 56.462 56.287 0.007 0.000 1.029 66 K CB 0.676 33.176 32.500 -0.000 0.000 0.902 66 K HN 0.210 nan 8.250 nan 0.000 0.481 67 C N 3.723 123.031 119.300 0.013 0.000 2.854 67 C HA 0.055 4.515 4.460 -0.000 0.000 0.389 67 C C -0.247 174.723 174.990 -0.034 0.000 0.915 67 C CA -0.315 58.719 59.018 0.027 0.000 1.236 67 C CB -1.105 26.691 27.740 0.094 0.000 1.505 67 C HN 1.099 nan 8.230 nan 0.000 0.542 68 Q N 3.079 122.826 119.800 -0.087 0.000 2.457 68 Q HA -0.219 4.121 4.340 -0.000 0.000 0.283 68 Q C 1.007 176.946 176.000 -0.102 0.000 1.234 68 Q CA 1.412 57.122 55.803 -0.155 0.000 0.877 68 Q CB -1.034 27.471 28.738 -0.388 0.000 1.250 68 Q HN 1.392 nan 8.270 nan 0.000 0.481 69 T N -4.872 109.651 114.554 -0.051 0.000 8.089 69 T HA -0.365 3.985 4.350 -0.000 0.000 0.315 69 T C 1.120 175.812 174.700 -0.013 0.000 2.025 69 T CA 1.408 63.492 62.100 -0.027 0.000 3.021 69 T CB -2.593 66.259 68.868 -0.027 0.000 2.356 69 T HN 0.871 nan 8.240 nan 0.000 1.220 70 C N 0.519 119.813 119.300 -0.010 0.000 2.514 70 C HA 0.387 4.847 4.460 -0.000 0.000 0.271 70 C C 1.729 176.742 174.990 0.038 0.000 1.399 70 C CA 0.646 59.680 59.018 0.026 0.000 1.765 70 C CB -0.745 27.034 27.740 0.064 0.000 1.893 70 C HN 0.781 nan 8.230 nan 0.000 0.531 71 Q N -0.027 119.791 119.800 0.029 0.000 1.748 71 Q HA -0.351 3.989 4.340 -0.000 0.000 0.350 71 Q C 0.978 176.999 176.000 0.036 0.000 0.773 71 Q CA 1.763 57.581 55.803 0.026 0.000 0.909 71 Q CB -1.402 27.347 28.738 0.019 0.000 3.006 71 Q HN 0.542 nan 8.270 nan 0.000 0.690 72 E N -0.994 119.224 120.200 0.029 0.000 5.142 72 E HA -0.356 3.994 4.350 -0.000 0.000 0.169 72 E C 0.821 177.432 176.600 0.019 0.000 1.322 72 E CA 2.721 59.136 56.400 0.026 0.000 2.174 72 E CB -1.819 27.901 29.700 0.033 0.000 1.883 72 E HN 1.516 nan 8.360 nan 0.000 0.358 73 G N 0.704 109.518 108.800 0.023 0.000 2.757 73 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.638 73 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.638 73 G C 0.104 175.009 174.900 0.008 0.000 1.344 73 G CA 0.052 45.161 45.100 0.014 0.000 0.855 73 G HN 0.151 nan 8.290 nan 0.000 0.537 74 M N 2.121 121.722 119.600 0.001 0.000 3.689 74 M HA 0.163 4.643 4.480 -0.000 0.000 0.176 74 M C 0.578 176.872 176.300 -0.010 0.000 1.696 74 M CA 0.649 55.945 55.300 -0.007 0.000 1.766 74 M CB -0.991 31.603 32.600 -0.011 0.000 1.235 74 M HN 0.583 nan 8.290 nan 0.000 0.526 75 N N 1.197 119.891 118.700 -0.009 0.000 6.510 75 N HA -0.053 4.687 4.740 -0.000 0.000 0.114 75 N C -0.330 175.176 175.510 -0.007 0.000 0.949 75 N CA 0.203 53.246 53.050 -0.011 0.000 1.230 75 N CB 0.560 39.041 38.487 -0.010 0.000 1.378 75 N HN 0.549 nan 8.380 nan 0.000 1.179 76 E N 1.154 121.347 120.200 -0.012 0.000 3.801 76 E HA -0.226 4.124 4.350 -0.000 0.000 0.319 76 E C -1.054 175.542 176.600 -0.005 0.000 0.784 76 E CA 1.199 57.595 56.400 -0.008 0.000 1.183 76 E CB -1.525 28.175 29.700 -0.000 0.000 1.601 76 E HN 0.536 nan 8.360 nan 0.000 0.441 77 C N 2.690 121.981 119.300 -0.014 0.000 2.135 77 C HA 0.460 4.920 4.460 -0.000 0.000 0.345 77 C C -2.118 172.807 174.990 -0.108 0.000 1.067 77 C CA -1.765 57.237 59.018 -0.027 0.000 1.517 77 C CB -0.407 27.335 27.740 0.005 0.000 1.923 77 C HN 0.195 nan 8.230 nan 0.000 0.466 78 P HA 0.184 nan 4.420 nan 0.000 0.265 78 P C 0.581 177.656 177.300 -0.375 0.000 1.222 78 P CA 0.705 63.701 63.100 -0.173 0.000 0.767 78 P CB 0.318 31.951 31.700 -0.111 0.000 0.801 79 G N 3.903 112.552 108.800 -0.252 0.000 2.460 79 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.230 79 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.230 79 G C -0.223 174.463 174.900 -0.356 0.000 1.248 79 G CA -0.281 44.649 45.100 -0.284 0.000 0.863 79 G HN 0.586 nan 8.290 nan 0.000 0.549 80 H N 0.720 119.800 119.070 0.018 0.000 2.472 80 H HA 0.319 4.875 4.556 -0.000 0.000 0.338 80 H C -0.572 174.792 175.328 0.059 0.000 1.133 80 H CA -0.532 55.574 56.048 0.096 0.000 1.216 80 H CB 1.423 31.226 29.762 0.068 0.000 1.497 80 H HN 0.291 nan 8.280 nan 0.000 0.500 81 F N 0.774 120.801 119.950 0.129 0.000 2.412 81 F HA 0.293 4.820 4.527 -0.000 0.000 0.348 81 F C 1.375 177.210 175.800 0.057 0.000 1.102 81 F CA 0.214 58.257 58.000 0.071 0.000 1.196 81 F CB 0.975 39.994 39.000 0.033 0.000 1.144 81 F HN 0.585 nan 8.300 nan 0.000 0.541 82 G N 0.597 109.491 108.800 0.156 0.000 2.543 82 G HA2 0.376 4.336 3.960 -0.000 0.000 0.267 82 G HA3 0.376 4.336 3.960 -0.000 0.000 0.267 82 G C -1.703 173.314 174.900 0.195 0.000 1.406 82 G CA -0.100 45.082 45.100 0.136 0.000 1.048 82 G HN 0.644 nan 8.290 nan 0.000 0.548 83 H N -1.689 117.397 119.070 0.027 0.000 2.930 83 H HA 0.691 5.247 4.556 -0.000 0.000 0.371 83 H C -1.525 173.805 175.328 0.003 0.000 1.169 83 H CA -1.131 54.921 56.048 0.007 0.000 1.157 83 H CB 1.705 31.466 29.762 -0.002 0.000 1.789 83 H HN 0.497 nan 8.280 nan 0.000 0.547 84 I N 3.906 124.295 120.570 -0.301 0.000 2.675 84 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 84 I C -1.593 174.358 176.117 -0.277 0.000 1.285 84 I CA -0.506 60.605 61.300 -0.316 0.000 1.079 84 I CB 1.159 39.078 38.000 -0.135 0.000 1.318 84 I HN 0.531 nan 8.210 nan 0.000 0.439 85 D N 8.402 128.605 120.400 -0.328 0.000 2.295 85 D HA 0.411 5.051 4.640 -0.000 0.000 0.248 85 D C -0.133 176.126 176.300 -0.070 0.000 1.154 85 D CA 0.127 54.039 54.000 -0.146 0.000 0.857 85 D CB 1.711 42.442 40.800 -0.116 0.000 1.117 85 D HN 0.415 nan 8.370 nan 0.000 0.468 86 L N 1.585 122.795 121.223 -0.020 0.000 2.418 86 L HA 0.385 4.725 4.340 -0.000 0.000 0.265 86 L C 1.603 178.480 176.870 0.011 0.000 1.143 86 L CA -0.702 54.138 54.840 0.000 0.000 0.809 86 L CB 0.842 42.916 42.059 0.026 0.000 1.124 86 L HN 0.350 nan 8.230 nan 0.000 0.456 87 A N 2.722 125.549 122.820 0.011 0.000 1.839 87 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 87 A C 0.737 178.332 177.584 0.019 0.000 1.274 87 A CA 0.817 52.860 52.037 0.010 0.000 0.608 87 A CB -0.218 18.781 19.000 -0.001 0.000 0.920 87 A HN 0.691 nan 8.150 nan 0.000 0.465 88 K N 1.437 121.850 120.400 0.021 0.000 2.297 88 K HA 0.307 4.627 4.320 -0.000 0.000 0.286 88 K C -2.501 174.136 176.600 0.062 0.000 1.053 88 K CA -1.850 54.460 56.287 0.037 0.000 0.940 88 K CB 0.493 33.013 32.500 0.033 0.000 1.019 88 K HN 0.317 nan 8.250 nan 0.000 0.475 89 P HA -0.057 nan 4.420 nan 0.000 0.269 89 P C -0.456 176.937 177.300 0.156 0.000 1.205 89 P CA -0.076 63.086 63.100 0.103 0.000 0.780 89 P CB 0.587 32.343 31.700 0.092 0.000 0.858 90 V N 1.882 121.909 119.914 0.188 0.000 2.962 90 V HA 0.346 4.466 4.120 -0.000 0.000 0.313 90 V C 0.012 176.327 176.094 0.367 0.000 1.099 90 V CA -0.602 61.858 62.300 0.266 0.000 0.971 90 V CB 1.762 33.692 31.823 0.178 0.000 1.028 90 V HN 0.301 nan 8.190 nan 0.000 0.430 91 F N 1.521 121.538 119.950 0.111 0.000 2.406 91 F HA 0.373 4.900 4.527 -0.000 0.000 0.327 91 F C 0.478 176.403 175.800 0.207 0.000 1.153 91 F CA -0.270 57.823 58.000 0.155 0.000 1.218 91 F CB 0.317 39.397 39.000 0.132 0.000 1.215 91 F HN 0.523 nan 8.300 nan 0.000 0.570 92 H N 1.371 120.612 119.070 0.286 0.000 2.519 92 H HA 0.364 4.920 4.556 -0.000 0.000 0.316 92 H C 0.806 176.234 175.328 0.166 0.000 1.065 92 H CA -0.786 55.406 56.048 0.241 0.000 1.264 92 H CB 1.189 31.141 29.762 0.316 0.000 1.413 92 H HN 0.449 nan 8.280 nan 0.000 0.465 93 V N 3.040 123.166 119.914 0.353 0.000 2.278 93 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 93 V C 2.340 178.403 176.094 -0.051 0.000 1.062 93 V CA 2.079 64.471 62.300 0.154 0.000 1.038 93 V CB -1.162 30.705 31.823 0.073 0.000 0.646 93 V HN 0.928 nan 8.190 nan 0.000 0.447 94 G N -1.384 107.213 108.800 -0.338 0.000 2.509 94 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.218 94 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.218 94 G C 1.191 175.468 174.900 -1.038 0.000 1.124 94 G CA 0.565 44.997 45.100 -1.114 0.000 0.776 94 G HN 0.581 nan 8.290 nan 0.000 0.547 95 F N -0.508 119.223 119.950 -0.365 0.000 2.706 95 F HA 0.395 4.922 4.527 -0.000 0.000 0.308 95 F C 2.118 177.899 175.800 -0.032 0.000 1.095 95 F CA -0.649 57.221 58.000 -0.217 0.000 1.244 95 F CB 0.271 39.120 39.000 -0.252 0.000 1.063 95 F HN 0.003 nan 8.300 nan 0.000 0.582 96 I N 0.647 121.323 120.570 0.176 0.000 2.069 96 I HA -0.409 3.760 4.170 -0.000 0.000 0.237 96 I C 2.798 179.021 176.117 0.176 0.000 1.053 96 I CA 1.598 63.053 61.300 0.257 0.000 1.311 96 I CB -0.715 37.425 38.000 0.233 0.000 1.030 96 I HN 0.175 nan 8.210 nan 0.000 0.398 97 A N 0.684 123.554 122.820 0.083 0.000 1.896 97 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 97 A C 2.318 179.938 177.584 0.060 0.000 1.206 97 A CA 2.169 54.232 52.037 0.042 0.000 0.647 97 A CB -0.621 18.367 19.000 -0.020 0.000 0.828 97 A HN 0.332 nan 8.150 nan 0.000 0.455 98 K N -0.667 119.786 120.400 0.089 0.000 2.057 98 K HA -0.030 4.290 4.320 -0.000 0.000 0.206 98 K C 1.934 178.661 176.600 0.211 0.000 1.050 98 K CA 1.389 57.766 56.287 0.150 0.000 0.935 98 K CB -0.477 32.137 32.500 0.191 0.000 0.715 98 K HN 0.661 nan 8.250 nan 0.000 0.439 99 I N 1.440 122.144 120.570 0.223 0.000 2.315 99 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 99 I C 2.154 178.448 176.117 0.295 0.000 1.117 99 I CA 1.256 62.722 61.300 0.276 0.000 1.404 99 I CB -0.241 37.871 38.000 0.186 0.000 1.071 99 I HN 0.162 nan 8.210 nan 0.000 0.419 100 K N 1.366 121.908 120.400 0.237 0.000 1.991 100 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 100 K C 2.050 178.784 176.600 0.224 0.000 1.049 100 K CA 1.506 57.922 56.287 0.215 0.000 0.932 100 K CB -0.340 32.262 32.500 0.169 0.000 0.717 100 K HN 0.256 nan 8.250 nan 0.000 0.441 101 K N 0.828 121.302 120.400 0.123 0.000 2.160 101 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 101 K C 2.082 178.789 176.600 0.178 0.000 1.047 101 K CA 1.314 57.562 56.287 -0.065 0.000 0.930 101 K CB -0.155 32.043 32.500 -0.503 0.000 0.720 101 K HN -0.005 nan 8.250 nan 0.000 0.450 102 V N 0.425 120.538 119.914 0.331 0.000 2.488 102 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 102 V C 2.320 178.619 176.094 0.342 0.000 1.046 102 V CA 1.279 63.789 62.300 0.350 0.000 1.053 102 V CB -0.326 31.601 31.823 0.172 0.000 0.679 102 V HN 0.405 nan 8.190 nan 0.000 0.458 103 C N 0.162 119.681 119.300 0.365 0.000 2.440 103 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 103 C C 2.628 177.751 174.990 0.222 0.000 1.295 103 C CA 0.781 59.976 59.018 0.296 0.000 1.738 103 C CB -0.859 27.017 27.740 0.226 0.000 1.987 103 C HN 0.611 nan 8.230 nan 0.000 0.492 104 E N -1.227 119.125 120.200 0.253 0.000 2.347 104 E HA -0.152 4.198 4.350 -0.000 0.000 0.196 104 E C 1.922 178.646 176.600 0.206 0.000 1.008 104 E CA 0.749 57.283 56.400 0.224 0.000 0.852 104 E CB -0.072 29.838 29.700 0.349 0.000 0.783 104 E HN 0.643 nan 8.360 nan 0.000 0.505 105 C N 0.361 119.822 119.300 0.268 0.000 2.735 105 C HA 0.211 4.671 4.460 -0.000 0.000 0.271 105 C C 0.590 175.678 174.990 0.164 0.000 1.281 105 C CA -0.307 58.844 59.018 0.222 0.000 1.719 105 C CB 0.053 27.958 27.740 0.274 0.000 2.024 105 C HN -0.037 nan 8.230 nan 0.000 0.566 106 V N 0.505 120.524 119.914 0.176 0.000 2.680 106 V HA 0.351 4.471 4.120 -0.000 0.000 0.309 106 V C -0.017 176.161 176.094 0.139 0.000 1.052 106 V CA -0.818 61.572 62.300 0.150 0.000 0.908 106 V CB 1.228 33.154 31.823 0.172 0.000 1.001 106 V HN 0.361 nan 8.190 nan 0.000 0.431 107 C N 6.872 126.243 119.300 0.118 0.000 2.536 107 C HA 0.495 4.955 4.460 -0.000 0.000 0.396 107 C C 0.519 175.580 174.990 0.119 0.000 1.279 107 C CA -0.764 58.324 59.018 0.117 0.000 2.148 107 C CB -0.190 27.620 27.740 0.117 0.000 2.584 107 C HN 0.808 nan 8.230 nan 0.000 0.579 108 M N 6.169 125.823 119.600 0.091 0.000 2.240 108 M HA 0.290 4.769 4.480 -0.000 0.000 0.333 108 M C 1.007 177.298 176.300 -0.015 0.000 1.110 108 M CA 0.722 56.009 55.300 -0.022 0.000 1.173 108 M CB 0.004 32.528 32.600 -0.127 0.000 1.458 108 M HN 0.980 nan 8.290 nan 0.000 0.458 109 H N 0.014 119.160 119.070 0.126 0.000 4.677 109 H HA -0.190 4.366 4.556 -0.000 0.000 0.066 109 H C 1.527 176.914 175.328 0.098 0.000 0.625 109 H CA 1.858 57.968 56.048 0.102 0.000 0.903 109 H CB -1.501 28.308 29.762 0.079 0.000 0.409 109 H HN 0.906 nan 8.280 nan 0.000 0.814 110 C N 2.851 122.282 119.300 0.219 0.000 2.563 110 C HA 0.594 5.054 4.460 -0.000 0.000 0.268 110 C C 1.699 176.759 174.990 0.116 0.000 1.365 110 C CA 1.327 60.419 59.018 0.124 0.000 1.754 110 C CB -0.475 27.317 27.740 0.086 0.000 1.932 110 C HN 1.466 nan 8.230 nan 0.000 0.536 111 G N 1.461 110.343 108.800 0.137 0.000 2.324 111 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.292 111 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.292 111 G C -0.330 174.621 174.900 0.085 0.000 1.079 111 G CA 0.642 45.822 45.100 0.133 0.000 1.026 111 G HN 0.934 nan 8.290 nan 0.000 0.506 112 K N -0.616 119.831 120.400 0.078 0.000 2.340 112 K HA 0.727 5.047 4.320 -0.000 0.000 0.244 112 K C 0.946 177.583 176.600 0.061 0.000 0.973 112 K CA -1.203 55.114 56.287 0.050 0.000 0.828 112 K CB 1.138 33.665 32.500 0.045 0.000 1.226 112 K HN 0.150 nan 8.250 nan 0.000 0.437 113 L N 3.724 124.975 121.223 0.047 0.000 2.483 113 L HA -0.012 4.328 4.340 -0.000 0.000 0.275 113 L C 1.348 178.254 176.870 0.061 0.000 1.220 113 L CA 0.056 54.930 54.840 0.057 0.000 0.833 113 L CB 0.344 42.429 42.059 0.044 0.000 1.102 113 L HN 0.685 nan 8.230 nan 0.000 0.490 114 L N 2.998 124.258 121.223 0.062 0.000 2.395 114 L HA 0.085 4.425 4.340 -0.000 0.000 0.218 114 L C 0.156 177.057 176.870 0.050 0.000 1.130 114 L CA 0.655 55.528 54.840 0.054 0.000 0.826 114 L CB -0.240 41.845 42.059 0.043 0.000 0.941 114 L HN 0.450 nan 8.230 nan 0.000 0.451 115 L N -1.148 120.105 121.223 0.049 0.000 2.409 115 L HA 0.469 4.809 4.340 -0.000 0.000 0.262 115 L C -0.979 175.913 176.870 0.038 0.000 0.992 115 L CA -0.657 54.213 54.840 0.050 0.000 0.817 115 L CB 2.472 44.551 42.059 0.034 0.000 1.350 115 L HN -0.162 nan 8.230 nan 0.000 0.411 116 D N 0.152 120.575 120.400 0.038 0.000 2.650 116 D HA 0.207 4.847 4.640 -0.000 0.000 0.255 116 D C 0.379 176.596 176.300 -0.138 0.000 1.135 116 D CA -0.456 53.499 54.000 -0.075 0.000 1.099 116 D CB 1.141 41.843 40.800 -0.163 0.000 1.273 116 D HN 0.493 nan 8.370 nan 0.000 0.628 117 E N -0.386 119.657 120.200 -0.263 0.000 2.396 117 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 117 E C 1.555 178.069 176.600 -0.144 0.000 1.023 117 E CA 0.943 57.231 56.400 -0.188 0.000 0.857 117 E CB -0.146 29.445 29.700 -0.182 0.000 0.775 117 E HN 0.344 nan 8.360 nan 0.000 0.525 118 H N 0.389 119.464 119.070 0.008 0.000 2.352 118 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 118 H C 1.017 176.348 175.328 0.005 0.000 1.097 118 H CA 0.924 56.975 56.048 0.006 0.000 1.311 118 H CB -0.410 29.356 29.762 0.006 0.000 1.377 118 H HN 0.114 nan 8.280 nan 0.000 0.504 119 N N 1.793 120.564 118.700 0.117 0.000 2.442 119 N HA -0.080 4.660 4.740 -0.000 0.000 0.265 119 N C 1.071 176.601 175.510 0.034 0.000 1.138 119 N CA 0.188 53.276 53.050 0.063 0.000 0.956 119 N CB 1.243 39.759 38.487 0.049 0.000 1.067 119 N HN 0.387 nan 8.380 nan 0.000 0.474 120 E N 3.526 123.743 120.200 0.029 0.000 2.204 120 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 120 E C 1.439 178.047 176.600 0.013 0.000 0.989 120 E CA 0.609 57.020 56.400 0.018 0.000 0.824 120 E CB 0.261 29.972 29.700 0.017 0.000 0.756 120 E HN 0.667 nan 8.360 nan 0.000 0.477 121 L N 0.080 121.309 121.223 0.011 0.000 2.141 121 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 121 L C 2.530 179.405 176.870 0.009 0.000 1.094 121 L CA 0.592 55.437 54.840 0.007 0.000 0.763 121 L CB -0.201 41.859 42.059 0.001 0.000 0.908 121 L HN 0.287 nan 8.230 nan 0.000 0.437 122 M N -0.238 119.368 119.600 0.010 0.000 2.200 122 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 122 M C 2.285 178.590 176.300 0.008 0.000 1.066 122 M CA 1.676 56.982 55.300 0.011 0.000 1.127 122 M CB -0.301 32.305 32.600 0.010 0.000 1.379 122 M HN -0.037 nan 8.290 nan 0.000 0.420 123 R N -0.614 119.888 120.500 0.004 0.000 2.091 123 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 123 R C 2.229 178.534 176.300 0.008 0.000 1.136 123 R CA 1.968 58.069 56.100 0.001 0.000 0.959 123 R CB -0.420 29.881 30.300 0.001 0.000 0.856 123 R HN 0.587 nan 8.270 nan 0.000 0.437 124 Q N -0.513 119.294 119.800 0.011 0.000 2.119 124 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 124 Q C 2.087 178.099 176.000 0.020 0.000 0.972 124 Q CA 1.347 57.159 55.803 0.015 0.000 0.847 124 Q CB 0.012 28.758 28.738 0.013 0.000 0.903 124 Q HN 0.355 nan 8.270 nan 0.000 0.433 125 A N 0.621 123.454 122.820 0.022 0.000 2.014 125 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 125 A C 1.914 179.521 177.584 0.038 0.000 1.163 125 A CA 0.671 52.728 52.037 0.032 0.000 0.652 125 A CB -0.298 18.722 19.000 0.033 0.000 0.808 125 A HN 0.255 nan 8.150 nan 0.000 0.449 126 L N -1.065 120.176 121.223 0.030 0.000 2.478 126 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 126 L C 2.709 179.596 176.870 0.029 0.000 1.140 126 L CA 0.698 55.556 54.840 0.032 0.000 0.842 126 L CB -0.304 41.766 42.059 0.019 0.000 0.953 126 L HN 0.450 nan 8.230 nan 0.000 0.452 127 A N 0.189 123.024 122.820 0.025 0.000 2.072 127 A HA 0.117 4.437 4.320 -0.000 0.000 0.216 127 A C 1.180 178.781 177.584 0.027 0.000 1.156 127 A CA -0.060 51.991 52.037 0.023 0.000 0.701 127 A CB -0.272 18.739 19.000 0.018 0.000 0.816 127 A HN 0.260 nan 8.150 nan 0.000 0.458 128 I N 0.054 120.644 120.570 0.032 0.000 2.752 128 I HA -0.005 4.165 4.170 -0.000 0.000 0.287 128 I C 0.615 176.754 176.117 0.037 0.000 1.188 128 I CA 0.421 61.742 61.300 0.035 0.000 1.427 128 I CB 0.540 38.564 38.000 0.040 0.000 1.365 128 I HN 0.091 nan 8.210 nan 0.000 0.585 129 K N 4.631 125.051 120.400 0.032 0.000 2.832 129 K HA 0.272 4.592 4.320 -0.000 0.000 0.211 129 K C -0.927 175.690 176.600 0.028 0.000 1.112 129 K CA -0.122 56.183 56.287 0.031 0.000 1.108 129 K CB 0.098 32.613 32.500 0.025 0.000 0.899 129 K HN 0.560 nan 8.250 nan 0.000 0.464 130 D N 0.193 120.612 120.400 0.033 0.000 2.787 130 D HA 0.018 4.658 4.640 -0.000 0.000 0.246 130 D C 0.847 177.167 176.300 0.034 0.000 1.150 130 D CA -0.053 53.962 54.000 0.026 0.000 0.864 130 D CB 2.206 43.022 40.800 0.026 0.000 1.481 130 D HN 0.043 nan 8.370 nan 0.000 0.509 131 S N 2.586 118.293 115.700 0.011 0.000 2.365 131 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 131 S C 1.469 176.091 174.600 0.037 0.000 1.039 131 S CA 0.926 59.123 58.200 -0.005 0.000 1.033 131 S CB -0.097 63.053 63.200 -0.084 0.000 0.887 131 S HN 0.424 nan 8.310 nan 0.000 0.447 132 K N 1.402 121.818 120.400 0.026 0.000 2.057 132 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 132 K C 2.425 179.083 176.600 0.098 0.000 1.049 132 K CA 1.494 57.816 56.287 0.058 0.000 0.931 132 K CB -0.185 32.329 32.500 0.023 0.000 0.714 132 K HN 0.454 nan 8.250 nan 0.000 0.440 133 K N 0.445 120.890 120.400 0.076 0.000 2.076 133 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 133 K C 2.269 178.925 176.600 0.094 0.000 1.051 133 K CA 0.547 56.879 56.287 0.075 0.000 0.949 133 K CB -0.013 32.519 32.500 0.053 0.000 0.726 133 K HN 0.063 nan 8.250 nan 0.000 0.443 134 R N 0.564 121.127 120.500 0.105 0.000 2.127 134 R HA -0.180 4.160 4.340 -0.000 0.000 0.228 134 R C 2.258 178.661 176.300 0.171 0.000 1.125 134 R CA 2.028 58.203 56.100 0.124 0.000 0.904 134 R CB -0.765 29.612 30.300 0.130 0.000 0.831 134 R HN 0.162 nan 8.270 nan 0.000 0.431 135 F N 1.273 121.255 119.950 0.052 0.000 2.236 135 F HA -0.227 4.300 4.527 -0.000 0.000 0.302 135 F C 2.079 177.940 175.800 0.101 0.000 1.073 135 F CA 1.383 59.423 58.000 0.066 0.000 1.336 135 F CB -0.176 38.827 39.000 0.005 0.000 1.040 135 F HN 0.078 nan 8.300 nan 0.000 0.507 136 A N -0.138 122.710 122.820 0.048 0.000 1.903 136 A HA 0.212 4.532 4.320 -0.000 0.000 0.213 136 A C 2.370 180.007 177.584 0.089 0.000 1.185 136 A CA 1.002 53.051 52.037 0.021 0.000 0.628 136 A CB -1.342 17.703 19.000 0.075 0.000 0.830 136 A HN 0.408 nan 8.150 nan 0.000 0.446 137 A N 0.140 123.005 122.820 0.075 0.000 1.898 137 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 137 A C 2.061 179.675 177.584 0.051 0.000 1.181 137 A CA 1.424 53.497 52.037 0.060 0.000 0.620 137 A CB -0.594 18.437 19.000 0.052 0.000 0.819 137 A HN 0.463 nan 8.150 nan 0.000 0.442 138 I N -2.530 118.077 120.570 0.061 0.000 2.315 138 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 138 I C 2.372 178.525 176.117 0.059 0.000 1.117 138 I CA 1.303 62.638 61.300 0.058 0.000 1.404 138 I CB -0.280 37.773 38.000 0.089 0.000 1.071 138 I HN 0.679 nan 8.210 nan 0.000 0.419 139 W N 1.877 123.066 121.300 -0.186 0.000 2.354 139 W HA -0.204 4.456 4.660 -0.000 0.000 0.315 139 W C 2.615 179.059 176.519 -0.125 0.000 1.206 139 W CA 2.062 59.278 57.345 -0.214 0.000 1.290 139 W CB -0.682 28.547 29.460 -0.384 0.000 1.152 139 W HN -0.050 nan 8.180 nan 0.000 0.489 140 T N 1.310 115.811 114.554 -0.089 0.000 2.833 140 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 140 T C 1.885 176.462 174.700 -0.204 0.000 1.054 140 T CA 1.655 63.609 62.100 -0.243 0.000 1.135 140 T CB -0.441 68.385 68.868 -0.069 0.000 0.869 140 T HN 0.132 nan 8.240 nan 0.000 0.466 141 L N 0.714 121.869 121.223 -0.113 0.000 2.270 141 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 141 L C 1.669 178.483 176.870 -0.093 0.000 1.104 141 L CA 0.587 55.378 54.840 -0.082 0.000 0.804 141 L CB -0.035 42.005 42.059 -0.032 0.000 0.937 141 L HN 0.478 nan 8.230 nan 0.000 0.450 142 C N -3.174 116.056 119.300 -0.116 0.000 2.994 142 C HA 0.247 4.707 4.460 -0.000 0.000 0.250 142 C C 1.812 176.707 174.990 -0.158 0.000 1.814 142 C CA -0.919 58.040 59.018 -0.098 0.000 1.730 142 C CB -0.944 26.779 27.740 -0.028 0.000 3.258 142 C HN 0.406 nan 8.230 nan 0.000 0.472 143 K N 0.951 121.160 120.400 -0.317 0.000 2.137 143 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 143 K C 1.525 177.980 176.600 -0.242 0.000 1.052 143 K CA 1.704 57.760 56.287 -0.386 0.000 0.961 143 K CB -0.714 31.296 32.500 -0.816 0.000 0.741 143 K HN 0.288 nan 8.250 nan 0.000 0.452 144 T N 1.605 116.031 114.554 -0.215 0.000 2.652 144 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 144 T C 0.535 175.177 174.700 -0.097 0.000 1.039 144 T CA 1.154 63.168 62.100 -0.143 0.000 1.153 144 T CB -0.133 68.662 68.868 -0.120 0.000 0.863 144 T HN 0.245 nan 8.240 nan 0.000 0.428 145 K N 1.312 121.664 120.400 -0.080 0.000 2.451 145 K HA 0.215 4.535 4.320 -0.000 0.000 0.280 145 K C 0.076 176.654 176.600 -0.036 0.000 1.020 145 K CA 0.470 56.731 56.287 -0.045 0.000 1.008 145 K CB 0.382 32.865 32.500 -0.027 0.000 0.917 145 K HN 0.303 nan 8.250 nan 0.000 0.478 146 M N 2.282 121.870 119.600 -0.021 0.000 2.747 146 M HA 0.140 4.620 4.480 -0.000 0.000 0.402 146 M C -1.165 175.149 176.300 0.022 0.000 1.238 146 M CA -0.221 55.071 55.300 -0.013 0.000 0.877 146 M CB 1.250 33.827 32.600 -0.039 0.000 1.424 146 M HN 0.121 nan 8.290 nan 0.000 0.511 147 V N 0.159 120.090 119.914 0.029 0.000 2.577 147 V HA 0.237 4.357 4.120 -0.000 0.000 0.303 147 V C -0.600 175.524 176.094 0.049 0.000 1.042 147 V CA -1.274 61.054 62.300 0.047 0.000 0.872 147 V CB 2.220 34.065 31.823 0.036 0.000 0.998 147 V HN 0.424 nan 8.190 nan 0.000 0.423 148 C N 5.642 124.982 119.300 0.067 0.000 2.345 148 C HA 0.321 4.781 4.460 -0.000 0.000 0.349 148 C C 0.817 175.837 174.990 0.050 0.000 1.130 148 C CA -0.507 58.550 59.018 0.065 0.000 1.574 148 C CB -1.656 26.136 27.740 0.086 0.000 2.108 148 C HN 0.928 nan 8.230 nan 0.000 0.516 149 E N 3.874 124.098 120.200 0.040 0.000 2.465 149 E HA 0.011 4.361 4.350 -0.000 0.000 0.260 149 E C 1.003 177.617 176.600 0.022 0.000 0.980 149 E CA 0.278 56.694 56.400 0.027 0.000 0.927 149 E CB 0.817 30.530 29.700 0.022 0.000 0.934 149 E HN 0.728 nan 8.360 nan 0.000 0.459 150 T N 1.818 116.378 114.554 0.010 0.000 3.009 150 T HA -0.010 4.340 4.350 -0.000 0.000 0.258 150 T C 0.005 174.693 174.700 -0.020 0.000 1.063 150 T CA 0.533 62.634 62.100 0.002 0.000 1.139 150 T CB 0.249 69.117 68.868 0.000 0.000 0.890 150 T HN 0.413 nan 8.240 nan 0.000 0.471 151 D N 0.654 121.036 120.400 -0.030 0.000 2.964 151 D HA 0.525 5.165 4.640 -0.000 0.000 0.234 151 D C -1.317 174.943 176.300 -0.066 0.000 1.223 151 D CA -0.258 53.706 54.000 -0.060 0.000 0.889 151 D CB 3.136 43.908 40.800 -0.047 0.000 1.609 151 D HN -0.045 nan 8.370 nan 0.000 0.523 152 V N 2.365 122.210 119.914 -0.116 0.000 2.789 152 V HA 0.409 4.529 4.120 -0.000 0.000 0.311 152 V C -2.315 173.717 176.094 -0.104 0.000 1.073 152 V CA -1.766 60.477 62.300 -0.095 0.000 0.921 152 V CB 2.564 34.336 31.823 -0.085 0.000 1.009 152 V HN 0.374 nan 8.190 nan 0.000 0.426 153 P HA 0.094 nan 4.420 nan 0.000 0.268 153 P C 0.086 177.368 177.300 -0.030 0.000 1.204 153 P CA 0.300 63.377 63.100 -0.038 0.000 0.768 153 P CB 0.781 32.471 31.700 -0.016 0.000 0.842 162 V N 0.856 120.699 119.914 -0.119 0.000 2.973 162 V HA 0.636 4.756 4.120 -0.000 0.000 0.314 162 V C 0.376 176.369 176.094 -0.168 0.000 1.066 162 V CA -0.353 61.853 62.300 -0.157 0.000 1.021 162 V CB 2.168 33.841 31.823 -0.249 0.000 1.076 162 V HN 0.887 nan 8.190 nan 0.000 0.462 163 S N 3.058 118.683 115.700 -0.125 0.000 2.549 163 S HA 0.887 5.357 4.470 -0.000 0.000 0.297 163 S C -0.395 174.174 174.600 -0.051 0.000 1.115 163 S CA -0.920 57.234 58.200 -0.077 0.000 1.059 163 S CB 2.101 65.280 63.200 -0.035 0.000 1.046 163 S HN 0.870 nan 8.310 nan 0.000 0.506 164 R N 0.818 121.310 120.500 -0.014 0.000 3.591 164 R HA 0.726 5.066 4.340 -0.000 0.000 0.246 164 R C 0.250 176.572 176.300 0.037 0.000 1.222 164 R CA -0.967 55.163 56.100 0.050 0.000 0.940 164 R CB -0.365 30.006 30.300 0.118 0.000 1.529 164 R HN 0.698 nan 8.270 nan 0.000 0.441 165 G N -0.008 108.821 108.800 0.048 0.000 2.254 165 G HA2 0.366 4.325 3.960 -0.000 0.000 0.253 165 G HA3 0.366 4.325 3.960 -0.000 0.000 0.253 165 G C -0.009 174.909 174.900 0.030 0.000 1.246 165 G CA 0.083 45.205 45.100 0.037 0.000 0.946 165 G HN 0.647 nan 8.290 nan 0.000 0.474 166 G N 0.623 109.435 108.800 0.021 0.000 2.404 166 G HA2 0.489 4.449 3.960 -0.000 0.000 0.316 166 G HA3 0.489 4.449 3.960 -0.000 0.000 0.316 166 G C 0.102 175.013 174.900 0.018 0.000 1.074 166 G CA 0.072 45.181 45.100 0.015 0.000 0.989 166 G HN 1.641 nan 8.290 nan 0.000 0.430 167 C N 1.108 120.424 119.300 0.026 0.000 2.854 167 C HA 0.352 4.812 4.460 -0.000 0.000 0.389 167 C C 0.981 175.999 174.990 0.047 0.000 0.915 167 C CA -0.769 58.266 59.018 0.028 0.000 1.236 167 C CB 0.161 27.923 27.740 0.036 0.000 1.505 167 C HN 0.868 nan 8.230 nan 0.000 0.542 168 G N 2.122 110.943 108.800 0.036 0.000 3.094 168 G HA2 0.060 4.020 3.960 -0.000 0.000 0.208 168 G HA3 0.060 4.020 3.960 -0.000 0.000 0.208 168 G C 0.402 175.343 174.900 0.068 0.000 1.189 168 G CA -0.014 45.113 45.100 0.046 0.000 0.856 168 G HN 0.837 nan 8.290 nan 0.000 0.510 169 N N 1.287 120.040 118.700 0.087 0.000 2.353 169 N HA -0.015 4.725 4.740 -0.000 0.000 0.248 169 N C 0.456 176.077 175.510 0.186 0.000 1.240 169 N CA 0.675 53.806 53.050 0.136 0.000 0.862 169 N CB 0.522 39.121 38.487 0.188 0.000 1.086 169 N HN -0.006 nan 8.380 nan 0.000 0.453 170 T N 2.326 117.017 114.554 0.228 0.000 2.901 170 T HA 0.078 4.428 4.350 -0.000 0.000 0.301 170 T C 0.694 175.581 174.700 0.312 0.000 1.012 170 T CA -0.302 61.946 62.100 0.247 0.000 1.135 170 T CB 0.633 69.675 68.868 0.290 0.000 0.936 170 T HN 0.274 nan 8.240 nan 0.000 0.539 171 Q N 3.144 123.021 119.800 0.129 0.000 2.259 171 Q HA 0.321 4.661 4.340 -0.000 0.000 0.246 171 Q C -2.174 173.654 176.000 -0.285 0.000 0.920 171 Q CA -2.021 53.796 55.803 0.023 0.000 0.895 171 Q CB 0.693 29.434 28.738 0.005 0.000 1.220 171 Q HN 0.422 nan 8.270 nan 0.000 0.439 172 P HA 0.066 nan 4.420 nan 0.000 0.277 172 P C -0.905 176.118 177.300 -0.463 0.000 1.240 172 P CA -0.369 62.146 63.100 -0.975 0.000 0.798 172 P CB 0.803 31.793 31.700 -1.183 0.000 0.979 173 T N 3.369 117.681 114.554 -0.403 0.000 2.811 173 T HA 0.379 4.729 4.350 -0.000 0.000 0.309 173 T C 0.596 175.197 174.700 -0.164 0.000 1.005 173 T CA -0.193 61.782 62.100 -0.209 0.000 0.955 173 T CB -0.644 68.133 68.868 -0.150 0.000 0.970 173 T HN 0.219 nan 8.240 nan 0.000 0.496 174 I N 4.815 125.326 120.570 -0.098 0.000 2.416 174 I HA 0.334 4.504 4.170 -0.000 0.000 0.288 174 I C 0.838 176.958 176.117 0.005 0.000 1.051 174 I CA -0.390 60.884 61.300 -0.043 0.000 1.375 174 I CB 0.498 38.508 38.000 0.017 0.000 1.407 174 I HN 0.493 nan 8.210 nan 0.000 0.516 175 R N 5.606 126.108 120.500 0.003 0.000 2.621 175 R HA 0.493 4.833 4.340 -0.000 0.000 0.292 175 R C -0.930 175.387 176.300 0.028 0.000 0.969 175 R CA -1.089 55.023 56.100 0.020 0.000 0.887 175 R CB 1.740 32.043 30.300 0.005 0.000 1.180 175 R HN 0.415 nan 8.270 nan 0.000 0.450 176 K N 2.462 122.885 120.400 0.039 0.000 2.312 176 K HA 0.078 4.398 4.320 -0.000 0.000 0.287 176 K C -1.094 175.518 176.600 0.020 0.000 1.062 176 K CA -0.152 56.157 56.287 0.038 0.000 0.934 176 K CB 0.760 33.290 32.500 0.051 0.000 1.027 176 K HN 0.639 nan 8.250 nan 0.000 0.478 177 D N 3.755 124.158 120.400 0.006 0.000 2.421 177 D HA 0.229 4.869 4.640 -0.000 0.000 0.254 177 D C 0.591 176.884 176.300 -0.012 0.000 1.238 177 D CA 0.486 54.484 54.000 -0.003 0.000 0.919 177 D CB 1.488 42.282 40.800 -0.010 0.000 1.152 177 D HN 0.910 nan 8.370 nan 0.000 0.552 178 G N 2.715 111.516 108.800 0.002 0.000 3.274 178 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.313 178 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.313 178 G C 0.506 175.417 174.900 0.018 0.000 1.295 178 G CA 0.459 45.564 45.100 0.008 0.000 1.004 178 G HN 0.494 nan 8.290 nan 0.000 0.614 179 L N 0.518 121.732 121.223 -0.015 0.000 3.358 179 L HA 0.507 4.847 4.340 -0.000 0.000 0.301 179 L C 0.344 177.097 176.870 -0.195 0.000 1.276 179 L CA -0.159 54.658 54.840 -0.039 0.000 1.028 179 L CB 0.839 42.908 42.059 0.018 0.000 1.421 179 L HN 0.265 nan 8.230 nan 0.000 0.604 180 K N 0.757 121.056 120.400 -0.167 0.000 2.466 180 K HA 0.746 5.066 4.320 -0.000 0.000 0.260 180 K C -1.235 175.293 176.600 -0.120 0.000 1.011 180 K CA -0.739 55.403 56.287 -0.241 0.000 0.871 180 K CB 3.002 35.400 32.500 -0.170 0.000 1.404 180 K HN -0.079 nan 8.250 nan 0.000 0.450 181 L N 1.905 123.072 121.223 -0.093 0.000 2.343 181 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 181 L C -1.059 175.820 176.870 0.016 0.000 0.996 181 L CA -1.099 53.746 54.840 0.009 0.000 0.831 181 L CB 1.751 43.867 42.059 0.096 0.000 1.232 181 L HN 0.234 nan 8.230 nan 0.000 0.413 182 V N 2.009 121.930 119.914 0.011 0.000 2.459 182 V HA 0.757 4.877 4.120 -0.000 0.000 0.295 182 V C 0.464 176.545 176.094 -0.022 0.000 1.029 182 V CA -0.424 61.887 62.300 0.017 0.000 0.874 182 V CB 1.735 33.566 31.823 0.014 0.000 0.985 182 V HN 0.849 nan 8.190 nan 0.000 0.438 183 G N 2.469 111.238 108.800 -0.052 0.000 2.481 183 G HA2 0.699 4.659 3.960 -0.000 0.000 0.315 183 G HA3 0.699 4.659 3.960 -0.000 0.000 0.315 183 G C -0.606 174.100 174.900 -0.324 0.000 1.231 183 G CA -0.523 44.404 45.100 -0.289 0.000 0.968 183 G HN 0.834 nan 8.290 nan 0.000 0.482 184 S N 0.172 115.633 115.700 -0.400 0.000 2.503 184 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 184 S C -0.661 173.755 174.600 -0.306 0.000 1.087 184 S CA -0.883 57.217 58.200 -0.166 0.000 1.042 184 S CB 1.803 64.968 63.200 -0.059 0.000 1.043 184 S HN 0.628 nan 8.310 nan 0.000 0.489 185 W N 0.821 122.132 121.300 0.019 0.000 2.767 185 W HA 0.604 5.264 4.660 -0.000 0.000 0.375 185 W C 0.015 176.544 176.519 0.016 0.000 1.461 185 W CA -1.004 56.354 57.345 0.023 0.000 1.415 185 W CB 1.781 31.259 29.460 0.030 0.000 1.581 185 W HN 0.688 nan 8.180 nan 0.000 0.672 186 K N 2.061 122.617 120.400 0.261 0.000 2.834 186 K HA 0.184 4.504 4.320 -0.000 0.000 0.259 186 K C -0.481 176.193 176.600 0.124 0.000 1.158 186 K CA -0.142 56.230 56.287 0.140 0.000 1.068 186 K CB 0.565 33.113 32.500 0.080 0.000 1.324 186 K HN 0.094 nan 8.250 nan 0.000 0.552 187 K N 0.520 120.986 120.400 0.109 0.000 2.137 187 K HA 0.348 4.668 4.320 -0.000 0.000 0.251 187 K C -0.636 175.990 176.600 0.044 0.000 1.048 187 K CA -0.394 55.938 56.287 0.076 0.000 0.873 187 K CB 1.085 33.630 32.500 0.074 0.000 1.442 187 K HN 0.584 nan 8.250 nan 0.000 0.467 188 D N 0.986 121.402 120.400 0.027 0.000 3.059 188 D HA -0.188 4.452 4.640 -0.000 0.000 0.220 188 D C -0.634 175.674 176.300 0.015 0.000 1.169 188 D CA 0.903 54.911 54.000 0.014 0.000 0.902 188 D CB -0.442 40.363 40.800 0.008 0.000 1.116 188 D HN 0.608 nan 8.370 nan 0.000 0.417 189 R N -1.297 119.215 120.500 0.020 0.000 3.266 189 R HA -0.168 4.172 4.340 -0.000 0.000 0.245 189 R C 0.909 177.216 176.300 0.013 0.000 0.941 189 R CA 0.985 57.095 56.100 0.016 0.000 0.638 189 R CB -2.172 28.135 30.300 0.012 0.000 1.019 189 R HN 0.664 nan 8.270 nan 0.000 0.462 190 A N -1.811 121.017 122.820 0.014 0.000 2.799 190 A HA -0.312 4.008 4.320 -0.000 0.000 0.287 190 A C 1.319 178.908 177.584 0.008 0.000 1.484 190 A CA 2.074 54.118 52.037 0.011 0.000 0.813 190 A CB -1.542 17.464 19.000 0.010 0.000 1.009 190 A HN 0.711 nan 8.150 nan 0.000 0.545 191 T N -2.408 112.150 114.554 0.007 0.000 3.250 191 T HA 0.429 4.779 4.350 -0.000 0.000 0.265 191 T C 1.075 175.776 174.700 0.002 0.000 0.973 191 T CA 1.449 63.551 62.100 0.004 0.000 1.040 191 T CB -0.167 68.703 68.868 0.002 0.000 1.167 191 T HN 1.676 nan 8.240 nan 0.000 0.471 192 G N 1.569 110.370 108.800 0.002 0.000 2.403 192 G HA2 0.458 4.418 3.960 -0.000 0.000 0.259 192 G HA3 0.458 4.418 3.960 -0.000 0.000 0.259 192 G C -0.176 174.725 174.900 0.002 0.000 1.244 192 G CA 0.276 45.376 45.100 -0.000 0.000 0.849 192 G HN 0.493 nan 8.290 nan 0.000 0.532 193 D N 1.058 121.457 120.400 -0.001 0.000 4.230 193 D HA -0.348 4.291 4.640 -0.000 0.000 0.138 193 D C 1.352 177.655 176.300 0.003 0.000 0.772 193 D CA 2.721 56.721 54.000 0.001 0.000 1.136 193 D CB -1.098 39.704 40.800 0.004 0.000 0.547 193 D HN 1.149 nan 8.370 nan 0.000 0.537 194 A N -0.590 122.234 122.820 0.007 0.000 1.459 194 A HA 0.247 4.567 4.320 -0.000 0.000 0.204 194 A C 0.579 178.170 177.584 0.010 0.000 1.955 194 A CA 1.423 53.464 52.037 0.007 0.000 1.576 194 A CB 0.293 19.296 19.000 0.005 0.000 1.510 194 A HN 0.497 nan 8.150 nan 0.000 0.301 195 D N -1.437 118.971 120.400 0.013 0.000 1.903 195 D HA 0.105 4.745 4.640 -0.000 0.000 0.387 195 D C 0.099 176.413 176.300 0.023 0.000 1.124 195 D CA 0.108 54.118 54.000 0.016 0.000 1.078 195 D CB -0.364 40.444 40.800 0.013 0.000 1.882 195 D HN 0.137 nan 8.370 nan 0.000 0.529 196 E N 2.446 122.660 120.200 0.024 0.000 2.354 196 E HA 0.310 4.660 4.350 -0.000 0.000 0.269 196 E C -1.676 174.953 176.600 0.047 0.000 1.036 196 E CA -1.150 55.269 56.400 0.032 0.000 0.876 196 E CB 0.645 30.360 29.700 0.026 0.000 1.009 196 E HN 0.275 nan 8.360 nan 0.000 0.416 197 P HA 0.112 nan 4.420 nan 0.000 0.288 197 P C -0.713 176.660 177.300 0.122 0.000 1.291 197 P CA -0.141 63.024 63.100 0.109 0.000 0.766 197 P CB 0.571 32.341 31.700 0.117 0.000 1.242 198 E N -0.383 119.941 120.200 0.208 0.000 2.969 198 E HA 0.283 4.633 4.350 -0.000 0.000 0.213 198 E C -0.621 176.157 176.600 0.297 0.000 1.107 198 E CA -0.267 56.238 56.400 0.174 0.000 1.007 198 E CB -0.202 29.526 29.700 0.047 0.000 1.326 198 E HN 0.249 nan 8.360 nan 0.000 0.432 199 L N 3.857 125.201 121.223 0.201 0.000 2.600 199 L HA 0.143 4.483 4.340 -0.000 0.000 0.278 199 L C 0.684 177.651 176.870 0.161 0.000 1.139 199 L CA 0.382 55.337 54.840 0.192 0.000 0.933 199 L CB -0.396 41.722 42.059 0.099 0.000 1.266 199 L HN 0.334 nan 8.230 nan 0.000 0.471 200 R N 2.440 123.090 120.500 0.251 0.000 2.912 200 R HA 0.776 5.116 4.340 -0.000 0.000 0.262 200 R C -1.301 175.093 176.300 0.155 0.000 1.057 200 R CA -0.952 55.239 56.100 0.152 0.000 0.981 200 R CB 1.548 31.907 30.300 0.098 0.000 1.201 200 R HN 0.133 nan 8.270 nan 0.000 0.484 201 V N 2.289 122.252 119.914 0.082 0.000 2.439 201 V HA 0.281 4.401 4.120 -0.000 0.000 0.282 201 V C 0.273 176.415 176.094 0.081 0.000 1.039 201 V CA -0.861 61.475 62.300 0.060 0.000 0.913 201 V CB 1.216 33.045 31.823 0.009 0.000 0.983 201 V HN 0.527 nan 8.190 nan 0.000 0.460 202 L N 5.159 126.435 121.223 0.088 0.000 2.325 202 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 202 L C 0.945 177.858 176.870 0.071 0.000 1.089 202 L CA 0.190 55.093 54.840 0.106 0.000 0.836 202 L CB 0.888 43.023 42.059 0.127 0.000 1.184 202 L HN 0.902 nan 8.230 nan 0.000 0.444 203 S N 1.083 116.827 115.700 0.073 0.000 2.655 203 S HA 0.253 4.723 4.470 -0.000 0.000 0.265 203 S C 1.140 175.826 174.600 0.144 0.000 1.240 203 S CA -0.334 57.909 58.200 0.072 0.000 0.986 203 S CB 1.329 64.566 63.200 0.062 0.000 0.985 203 S HN 0.595 nan 8.310 nan 0.000 0.562 204 T N 1.169 115.835 114.554 0.186 0.000 2.668 204 T HA -0.081 4.269 4.350 -0.000 0.000 0.262 204 T C 1.590 176.353 174.700 0.104 0.000 1.045 204 T CA 1.647 63.919 62.100 0.286 0.000 1.152 204 T CB -0.780 68.266 68.868 0.296 0.000 0.864 204 T HN 0.762 nan 8.240 nan 0.000 0.419 205 E N 1.018 121.261 120.200 0.071 0.000 2.187 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 205 E C 2.285 178.885 176.600 -0.001 0.000 1.004 205 E CA 1.158 57.575 56.400 0.030 0.000 0.813 205 E CB -0.141 29.580 29.700 0.036 0.000 0.736 205 E HN 0.612 nan 8.360 nan 0.000 0.468 206 E N 0.296 120.499 120.200 0.006 0.000 2.015 206 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 206 E C 2.191 178.725 176.600 -0.111 0.000 0.991 206 E CA 0.880 57.267 56.400 -0.021 0.000 0.802 206 E CB -0.029 29.675 29.700 0.007 0.000 0.759 206 E HN 0.229 nan 8.360 nan 0.000 0.447 207 I N 1.428 121.899 120.570 -0.164 0.000 2.248 207 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 207 I C 2.528 178.318 176.117 -0.544 0.000 1.107 207 I CA 1.223 62.251 61.300 -0.454 0.000 1.373 207 I CB -1.193 36.527 38.000 -0.466 0.000 1.055 207 I HN 0.214 nan 8.210 nan 0.000 0.418 208 L N 0.702 121.759 121.223 -0.277 0.000 1.956 208 L HA -0.301 4.039 4.340 -0.000 0.000 0.216 208 L C 2.591 179.348 176.870 -0.189 0.000 1.073 208 L CA 1.826 56.561 54.840 -0.174 0.000 0.762 208 L CB -0.672 41.339 42.059 -0.079 0.000 0.889 208 L HN 0.328 nan 8.230 nan 0.000 0.433 209 N N 0.161 118.742 118.700 -0.199 0.000 2.036 209 N HA -0.217 4.523 4.740 -0.000 0.000 0.195 209 N C 1.792 177.075 175.510 -0.380 0.000 1.037 209 N CA 1.767 54.602 53.050 -0.357 0.000 0.855 209 N CB -0.462 37.956 38.487 -0.115 0.000 1.033 209 N HN 0.330 nan 8.380 nan 0.000 0.423 210 I N 0.431 120.928 120.570 -0.121 0.000 2.113 210 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 210 I C 1.873 178.104 176.117 0.191 0.000 1.064 210 I CA 1.238 62.563 61.300 0.042 0.000 1.320 210 I CB -0.398 37.593 38.000 -0.015 0.000 1.028 210 I HN -0.001 nan 8.210 nan 0.000 0.406 211 F N 1.145 121.032 119.950 -0.105 0.000 2.325 211 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 211 F C 2.364 178.097 175.800 -0.112 0.000 1.090 211 F CA 1.025 58.956 58.000 -0.114 0.000 1.392 211 F CB -0.893 37.998 39.000 -0.181 0.000 1.053 211 F HN 0.041 nan 8.300 nan 0.000 0.521 212 K N -0.922 119.474 120.400 -0.007 0.000 2.296 212 K HA -0.087 4.233 4.320 -0.000 0.000 0.200 212 K C 1.297 177.892 176.600 -0.008 0.000 1.048 212 K CA 0.749 56.987 56.287 -0.081 0.000 0.966 212 K CB -0.072 32.312 32.500 -0.193 0.000 0.754 212 K HN 0.252 nan 8.250 nan 0.000 0.466 213 H N -0.101 119.013 119.070 0.073 0.000 2.539 213 H HA 0.187 4.743 4.556 -0.000 0.000 0.269 213 H C 0.443 175.760 175.328 -0.018 0.000 0.980 213 H CA 0.000 56.067 56.048 0.030 0.000 1.152 213 H CB 0.006 29.792 29.762 0.039 0.000 1.407 213 H HN 0.046 nan 8.280 nan 0.000 0.564 214 I N 2.001 122.614 120.570 0.071 0.000 2.474 214 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 214 I C 0.913 176.731 176.117 -0.499 0.000 1.048 214 I CA -0.353 60.869 61.300 -0.131 0.000 1.383 214 I CB 0.958 38.914 38.000 -0.074 0.000 1.412 214 I HN 0.054 nan 8.210 nan 0.000 0.531 215 S N 4.380 119.772 115.700 -0.512 0.000 2.652 215 S HA 0.278 4.747 4.470 -0.000 0.000 0.270 215 S C 1.168 175.250 174.600 -0.864 0.000 1.243 215 S CA -0.949 56.922 58.200 -0.548 0.000 0.999 215 S CB 1.709 64.750 63.200 -0.265 0.000 0.973 215 S HN 0.401 nan 8.310 nan 0.000 0.544 216 V N 1.861 121.450 119.914 -0.542 0.000 2.277 216 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 216 V C 2.503 178.472 176.094 -0.209 0.000 1.067 216 V CA 2.382 64.493 62.300 -0.315 0.000 1.047 216 V CB -1.097 30.677 31.823 -0.082 0.000 0.649 216 V HN 0.912 nan 8.190 nan 0.000 0.447 217 K N -0.423 119.874 120.400 -0.172 0.000 2.439 217 K HA -0.096 4.224 4.320 -0.000 0.000 0.197 217 K C 1.506 178.066 176.600 -0.067 0.000 1.041 217 K CA 0.999 57.240 56.287 -0.077 0.000 0.970 217 K CB -0.123 32.342 32.500 -0.058 0.000 0.773 217 K HN 0.543 nan 8.250 nan 0.000 0.479 218 D N -0.187 120.109 120.400 -0.173 0.000 2.305 218 D HA -0.011 4.629 4.640 -0.000 0.000 0.206 218 D C 1.460 177.787 176.300 0.046 0.000 0.974 218 D CA 0.632 54.573 54.000 -0.097 0.000 0.871 218 D CB 0.052 40.749 40.800 -0.171 0.000 0.947 218 D HN 0.190 nan 8.370 nan 0.000 0.516 219 F N 1.285 121.212 119.950 -0.037 0.000 2.128 219 F HA -0.123 4.404 4.527 -0.000 0.000 0.295 219 F C 2.568 178.436 175.800 0.113 0.000 1.100 219 F CA 0.669 58.663 58.000 -0.009 0.000 1.260 219 F CB -0.380 38.582 39.000 -0.064 0.000 1.009 219 F HN -0.113 nan 8.300 nan 0.000 0.476 220 T N -0.083 114.625 114.554 0.256 0.000 2.720 220 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 220 T C 2.168 176.959 174.700 0.152 0.000 1.037 220 T CA 1.798 64.001 62.100 0.171 0.000 1.144 220 T CB -0.615 68.315 68.868 0.104 0.000 0.864 220 T HN 0.375 nan 8.240 nan 0.000 0.444 221 S N 1.417 117.203 115.700 0.143 0.000 2.383 221 S HA -0.020 4.450 4.470 -0.000 0.000 0.229 221 S C 0.943 175.663 174.600 0.200 0.000 1.030 221 S CA 0.642 58.926 58.200 0.140 0.000 1.002 221 S CB -0.776 62.496 63.200 0.120 0.000 0.829 221 S HN 0.428 nan 8.310 nan 0.000 0.467 222 L N 0.543 121.933 121.223 0.277 0.000 2.416 222 L HA 0.612 4.952 4.340 -0.000 0.000 0.263 222 L C 1.068 178.030 176.870 0.153 0.000 1.065 222 L CA -0.688 54.356 54.840 0.340 0.000 0.798 222 L CB 0.234 42.617 42.059 0.540 0.000 1.267 222 L HN 0.214 nan 8.230 nan 0.000 0.467 223 G N 0.823 109.496 108.800 -0.212 0.000 2.852 223 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 223 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 223 G C -0.838 173.547 174.900 -0.858 0.000 0.731 223 G CA 0.149 44.977 45.100 -0.454 0.000 2.037 223 G HN 0.241 nan 8.290 nan 0.000 0.560 224 F N -0.173 119.724 119.950 -0.088 0.000 2.588 224 F HA 0.286 4.813 4.527 -0.000 0.000 0.314 224 F C 0.496 176.271 175.800 -0.041 0.000 1.134 224 F CA -1.114 56.806 58.000 -0.134 0.000 0.961 224 F CB 2.302 41.136 39.000 -0.277 0.000 1.239 224 F HN 0.211 nan 8.300 nan 0.000 0.448 225 N N 1.281 120.071 118.700 0.150 0.000 2.373 225 N HA -0.029 4.710 4.740 -0.000 0.000 0.181 225 N C 1.335 176.921 175.510 0.127 0.000 1.082 225 N CA 1.084 54.236 53.050 0.171 0.000 0.885 225 N CB 0.233 38.891 38.487 0.285 0.000 0.977 225 N HN 0.813 nan 8.380 nan 0.000 0.462 226 E N -2.260 117.951 120.200 0.019 0.000 4.976 226 E HA -0.331 4.019 4.350 -0.000 0.000 0.222 226 E C 0.139 176.716 176.600 -0.038 0.000 0.944 226 E CA 1.911 58.284 56.400 -0.045 0.000 1.778 226 E CB -1.547 28.245 29.700 0.153 0.000 1.790 226 E HN 0.132 nan 8.360 nan 0.000 0.404 227 V N -0.455 119.456 119.914 -0.005 0.000 2.436 227 V HA 0.106 4.226 4.120 -0.000 0.000 0.240 227 V C 2.004 178.028 176.094 -0.117 0.000 1.040 227 V CA 1.879 64.088 62.300 -0.151 0.000 1.052 227 V CB -0.524 31.033 31.823 -0.443 0.000 0.707 227 V HN 0.319 nan 8.190 nan 0.000 0.469 228 F N 1.060 121.135 119.950 0.209 0.000 2.656 228 F HA 0.229 4.756 4.527 -0.000 0.000 0.291 228 F C 0.920 176.928 175.800 0.347 0.000 1.122 228 F CA 0.543 58.666 58.000 0.206 0.000 1.427 228 F CB 0.302 39.353 39.000 0.084 0.000 1.125 228 F HN 0.198 nan 8.300 nan 0.000 0.583 229 S N 0.204 116.180 115.700 0.460 0.000 2.680 229 S HA 0.593 5.063 4.470 -0.000 0.000 0.262 229 S C -0.821 173.722 174.600 -0.095 0.000 1.138 229 S CA -0.945 57.461 58.200 0.343 0.000 1.072 229 S CB 1.335 64.663 63.200 0.215 0.000 1.097 229 S HN 0.080 nan 8.310 nan 0.000 0.468 230 R N 2.395 122.460 120.500 -0.726 0.000 2.604 230 R HA 0.488 4.827 4.340 -0.000 0.000 0.287 230 R C -2.209 173.451 176.300 -1.066 0.000 0.970 230 R CA -2.438 52.843 56.100 -1.365 0.000 0.946 230 R CB 0.965 30.067 30.300 -1.997 0.000 1.127 230 R HN 0.272 nan 8.270 nan 0.000 0.473 231 P HA -0.220 nan 4.420 nan 0.000 0.218 231 P C 0.626 177.603 177.300 -0.538 0.000 1.149 231 P CA 1.146 63.550 63.100 -1.159 0.000 0.817 231 P CB 0.147 30.870 31.700 -1.629 0.000 0.785 232 E N -1.377 118.536 120.200 -0.480 0.000 2.455 232 E HA -0.193 4.157 4.350 -0.000 0.000 0.202 232 E C 0.701 177.285 176.600 -0.027 0.000 1.045 232 E CA 0.866 57.168 56.400 -0.163 0.000 0.872 232 E CB -0.798 28.762 29.700 -0.233 0.000 0.792 232 E HN 0.368 nan 8.360 nan 0.000 0.542 233 W N 0.055 121.283 121.300 -0.120 0.000 3.177 233 W HA 0.366 5.026 4.660 -0.000 0.000 0.309 233 W C 1.693 178.124 176.519 -0.146 0.000 1.224 233 W CA -0.503 56.790 57.345 -0.087 0.000 1.718 233 W CB -0.381 29.038 29.460 -0.068 0.000 1.078 233 W HN 0.072 nan 8.180 nan 0.000 0.618 234 M N 0.001 119.557 119.600 -0.073 0.000 2.374 234 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 234 M C 0.496 176.770 176.300 -0.043 0.000 1.067 234 M CA 1.253 56.374 55.300 -0.298 0.000 1.103 234 M CB -0.191 32.200 32.600 -0.348 0.000 1.402 234 M HN -0.327 nan 8.290 nan 0.000 0.444 235 I N 1.123 121.698 120.570 0.009 0.000 2.365 235 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 235 I C -0.442 175.751 176.117 0.126 0.000 1.004 235 I CA -0.463 60.842 61.300 0.009 0.000 1.311 235 I CB 0.995 38.953 38.000 -0.071 0.000 1.401 235 I HN 0.030 nan 8.210 nan 0.000 0.491 236 L N 6.782 128.102 121.223 0.162 0.000 2.283 236 L HA 0.224 4.564 4.340 -0.000 0.000 0.287 236 L C 0.966 177.915 176.870 0.132 0.000 1.073 236 L CA 0.047 54.986 54.840 0.166 0.000 0.822 236 L CB 0.707 42.866 42.059 0.167 0.000 1.186 236 L HN 0.732 nan 8.230 nan 0.000 0.436 237 T N 0.553 115.181 114.554 0.123 0.000 2.925 237 T HA -0.024 4.326 4.350 -0.000 0.000 0.245 237 T C 0.361 175.113 174.700 0.087 0.000 1.025 237 T CA 0.309 62.469 62.100 0.101 0.000 1.149 237 T CB 0.250 69.180 68.868 0.104 0.000 0.866 237 T HN 0.584 nan 8.240 nan 0.000 0.437 238 C N 2.800 122.154 119.300 0.090 0.000 2.345 238 C HA 0.801 5.261 4.460 -0.000 0.000 0.323 238 C C -0.777 174.264 174.990 0.085 0.000 1.276 238 C CA -1.365 57.708 59.018 0.091 0.000 1.543 238 C CB -0.534 27.270 27.740 0.106 0.000 2.211 238 C HN 0.465 nan 8.230 nan 0.000 0.493 239 L N 9.562 130.830 121.223 0.076 0.000 2.282 239 L HA 0.699 5.039 4.340 -0.000 0.000 0.288 239 L C -2.208 174.727 176.870 0.107 0.000 1.033 239 L CA -1.810 53.084 54.840 0.090 0.000 0.807 239 L CB 1.442 43.531 42.059 0.049 0.000 1.209 239 L HN 0.525 nan 8.230 nan 0.000 0.423 240 P HA 0.126 nan 4.420 nan 0.000 0.276 240 P C -1.087 176.377 177.300 0.274 0.000 1.230 240 P CA -0.166 63.063 63.100 0.215 0.000 0.776 240 P CB 1.221 33.064 31.700 0.238 0.000 0.888 241 V N 5.589 125.640 119.914 0.229 0.000 2.350 241 V HA 0.258 4.378 4.120 -0.000 0.000 0.276 241 V C -1.874 174.149 176.094 -0.118 0.000 1.028 241 V CA -2.056 60.295 62.300 0.084 0.000 0.860 241 V CB 0.976 32.814 31.823 0.024 0.000 0.990 241 V HN 0.547 nan 8.190 nan 0.000 0.453 242 P HA 0.259 nan 4.420 nan 0.000 0.276 242 P C -2.496 174.569 177.300 -0.392 0.000 1.230 242 P CA -1.524 61.256 63.100 -0.534 0.000 0.776 242 P CB 0.551 32.168 31.700 -0.138 0.000 0.888 243 P HA 0.084 nan 4.420 nan 0.000 0.274 243 P C -1.780 175.429 177.300 -0.152 0.000 1.264 243 P CA -1.175 61.768 63.100 -0.262 0.000 0.795 243 P CB -0.640 30.900 31.700 -0.266 0.000 1.064 244 P HA -0.051 nan 4.420 nan 0.000 0.218 244 P C -1.375 175.884 177.300 -0.067 0.000 1.148 244 P CA 2.316 65.376 63.100 -0.066 0.000 0.822 244 P CB -1.824 29.850 31.700 -0.042 0.000 0.784 245 P HA -0.043 nan 4.420 nan 0.000 0.221 245 P C 1.782 179.048 177.300 -0.057 0.000 1.150 245 P CA 0.716 63.778 63.100 -0.063 0.000 0.800 245 P CB -0.399 31.262 31.700 -0.067 0.000 0.787 246 V N 0.276 120.148 119.914 -0.070 0.000 2.427 246 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 246 V C 1.188 177.256 176.094 -0.044 0.000 1.051 246 V CA 1.550 63.819 62.300 -0.051 0.000 1.048 246 V CB -1.028 30.760 31.823 -0.058 0.000 0.666 246 V HN 0.242 nan 8.190 nan 0.000 0.456 247 R N 0.452 120.922 120.500 -0.051 0.000 2.402 247 R HA 0.470 4.810 4.340 -0.000 0.000 0.290 247 R C -3.022 173.244 176.300 -0.057 0.000 1.321 247 R CA -1.696 54.375 56.100 -0.048 0.000 1.283 247 R CB 0.362 30.641 30.300 -0.035 0.000 1.111 247 R HN 0.215 nan 8.270 nan 0.000 0.578 248 P HA 0.158 nan 4.420 nan 0.000 0.277 248 P C -0.110 177.150 177.300 -0.067 0.000 1.276 248 P CA -0.408 62.659 63.100 -0.055 0.000 0.788 248 P CB 1.026 32.698 31.700 -0.046 0.000 1.114 249 S N -0.308 115.354 115.700 -0.064 0.000 4.359 249 S HA 0.554 5.023 4.470 -0.000 0.000 0.202 249 S C 0.336 174.889 174.600 -0.078 0.000 1.078 249 S CA -0.376 57.777 58.200 -0.077 0.000 1.776 249 S CB -1.076 62.081 63.200 -0.071 0.000 0.891 249 S HN 0.616 nan 8.310 nan 0.000 0.780 250 I N 0.588 121.107 120.570 -0.085 0.000 6.005 250 I HA -0.188 3.982 4.170 -0.000 0.000 0.126 250 I C -0.077 175.960 176.117 -0.134 0.000 1.326 250 I CA 0.230 61.472 61.300 -0.098 0.000 2.551 250 I CB -1.491 36.469 38.000 -0.066 0.000 2.439 250 I HN 0.870 nan 8.210 nan 0.000 0.301 251 S N 4.122 119.700 115.700 -0.204 0.000 2.841 251 S HA 0.849 5.319 4.470 -0.000 0.000 0.274 251 S C 0.426 174.869 174.600 -0.261 0.000 1.044 251 S CA -0.052 57.903 58.200 -0.409 0.000 0.952 251 S CB 0.662 63.435 63.200 -0.712 0.000 1.331 251 S HN 1.015 nan 8.310 nan 0.000 0.610 252 F N 0.969 120.915 119.950 -0.007 0.000 2.553 252 F HA 0.353 4.880 4.527 -0.000 0.000 0.282 252 F C 1.785 177.584 175.800 -0.003 0.000 1.089 252 F CA -0.057 57.940 58.000 -0.005 0.000 1.411 252 F CB -1.042 37.956 39.000 -0.003 0.000 1.125 252 F HN 0.587 nan 8.300 nan 0.000 0.610 253 N N 0.315 119.040 118.700 0.043 0.000 2.272 253 N HA 0.110 4.850 4.740 -0.000 0.000 0.195 253 N C -0.046 175.457 175.510 -0.012 0.000 1.048 253 N CA 0.915 54.001 53.050 0.060 0.000 0.912 253 N CB -0.077 38.462 38.487 0.087 0.000 1.096 253 N HN 0.053 nan 8.380 nan 0.000 0.471 254 E N -1.781 118.380 120.200 -0.064 0.000 2.463 254 E HA -0.046 4.304 4.350 -0.000 0.000 0.365 254 E C -0.957 175.617 176.600 -0.043 0.000 0.965 254 E CA 0.379 56.744 56.400 -0.058 0.000 1.126 254 E CB -1.489 28.192 29.700 -0.031 0.000 1.299 254 E HN 0.335 nan 8.360 nan 0.000 0.424 255 S N -0.621 115.047 115.700 -0.054 0.000 2.631 255 S HA 0.245 4.715 4.470 -0.000 0.000 0.248 255 S C 0.046 174.621 174.600 -0.042 0.000 0.949 255 S CA 0.448 58.627 58.200 -0.035 0.000 1.470 255 S CB 0.203 63.394 63.200 -0.016 0.000 1.248 255 S HN 0.207 nan 8.310 nan 0.000 0.662 256 Q N 0.442 120.199 119.800 -0.072 0.000 3.022 256 Q HA 0.606 4.946 4.340 -0.000 0.000 0.313 256 Q C 0.675 176.613 176.000 -0.104 0.000 1.018 256 Q CA -0.664 55.095 55.803 -0.074 0.000 0.799 256 Q CB 0.958 29.655 28.738 -0.068 0.000 1.498 256 Q HN 0.142 nan 8.270 nan 0.000 0.494 257 R N -0.282 120.165 120.500 -0.087 0.000 2.124 257 R HA 0.309 4.649 4.340 -0.000 0.000 0.215 257 R C -0.088 176.121 176.300 -0.152 0.000 1.145 257 R CA 0.982 57.031 56.100 -0.085 0.000 0.898 257 R CB -0.561 29.722 30.300 -0.030 0.000 0.790 257 R HN 0.818 nan 8.270 nan 0.000 0.458 258 G N 1.746 110.446 108.800 -0.166 0.000 2.756 258 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.272 258 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.272 258 G C -0.453 174.357 174.900 -0.149 0.000 1.128 258 G CA -0.368 44.600 45.100 -0.219 0.000 1.145 258 G HN 0.163 nan 8.290 nan 0.000 0.545 259 E N -0.124 119.989 120.200 -0.146 0.000 2.561 259 E HA 0.428 4.777 4.350 -0.000 0.000 0.254 259 E C 0.126 176.542 176.600 -0.306 0.000 1.213 259 E CA -0.600 55.676 56.400 -0.206 0.000 0.995 259 E CB 1.025 30.607 29.700 -0.196 0.000 1.233 259 E HN 0.446 nan 8.360 nan 0.000 0.556 260 D N -0.303 119.899 120.400 -0.331 0.000 2.385 260 D HA 0.073 4.713 4.640 -0.000 0.000 0.254 260 D C 0.177 176.203 176.300 -0.456 0.000 1.053 260 D CA -0.413 53.408 54.000 -0.297 0.000 0.992 260 D CB 1.327 42.032 40.800 -0.158 0.000 1.145 260 D HN 0.147 nan 8.370 nan 0.000 0.523 261 D N 0.885 121.122 120.400 -0.272 0.000 2.103 261 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 261 D C 2.110 178.397 176.300 -0.022 0.000 0.978 261 D CA 0.553 54.450 54.000 -0.171 0.000 0.829 261 D CB 0.181 40.952 40.800 -0.048 0.000 0.981 261 D HN 0.354 nan 8.370 nan 0.000 0.464 262 L N 0.997 122.222 121.223 0.004 0.000 2.043 262 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 262 L C 2.540 179.489 176.870 0.132 0.000 1.075 262 L CA 1.250 56.158 54.840 0.113 0.000 0.752 262 L CB -0.535 41.587 42.059 0.105 0.000 0.891 262 L HN 0.071 nan 8.230 nan 0.000 0.432 263 T N -0.516 114.066 114.554 0.047 0.000 2.684 263 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 263 T C 1.668 176.482 174.700 0.190 0.000 1.036 263 T CA 1.529 63.666 62.100 0.063 0.000 1.148 263 T CB -0.497 68.366 68.868 -0.008 0.000 0.863 263 T HN 0.228 nan 8.240 nan 0.000 0.436 264 F N 1.219 121.166 119.950 -0.005 0.000 2.065 264 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 264 F C 2.675 178.439 175.800 -0.062 0.000 1.112 264 F CA 1.044 59.029 58.000 -0.025 0.000 1.212 264 F CB -0.144 38.849 39.000 -0.013 0.000 0.975 264 F HN 0.106 nan 8.300 nan 0.000 0.476 265 K N 0.351 120.854 120.400 0.172 0.000 2.211 265 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 265 K C 1.832 178.390 176.600 -0.070 0.000 1.050 265 K CA 0.691 56.988 56.287 0.016 0.000 0.945 265 K CB -0.137 32.428 32.500 0.108 0.000 0.732 265 K HN 0.268 nan 8.250 nan 0.000 0.451 266 L N -0.062 121.134 121.223 -0.044 0.000 2.093 266 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 266 L C 2.428 179.249 176.870 -0.082 0.000 1.085 266 L CA 1.027 55.781 54.840 -0.144 0.000 0.755 266 L CB -0.445 41.547 42.059 -0.112 0.000 0.904 266 L HN 0.207 nan 8.230 nan 0.000 0.435 267 A N -0.367 122.442 122.820 -0.019 0.000 1.933 267 A HA -0.224 4.095 4.320 -0.000 0.000 0.218 267 A C 1.942 179.492 177.584 -0.057 0.000 1.175 267 A CA 1.836 53.863 52.037 -0.016 0.000 0.628 267 A CB -0.437 18.576 19.000 0.023 0.000 0.814 267 A HN 0.336 nan 8.150 nan 0.000 0.444 268 D N -0.094 120.232 120.400 -0.123 0.000 2.144 268 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 268 D C 1.877 178.154 176.300 -0.039 0.000 0.978 268 D CA 0.956 54.826 54.000 -0.217 0.000 0.833 268 D CB -0.238 40.174 40.800 -0.647 0.000 0.961 268 D HN 0.508 nan 8.370 nan 0.000 0.470 269 I N 0.333 120.870 120.570 -0.056 0.000 2.179 269 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 269 I C 2.321 178.443 176.117 0.009 0.000 1.088 269 I CA 0.496 61.807 61.300 0.019 0.000 1.357 269 I CB -0.021 37.917 38.000 -0.104 0.000 1.051 269 I HN 0.008 nan 8.210 nan 0.000 0.409 270 L N 0.870 122.075 121.223 -0.031 0.000 2.017 270 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 270 L C 2.398 179.255 176.870 -0.020 0.000 1.073 270 L CA 1.912 56.731 54.840 -0.036 0.000 0.745 270 L CB -0.608 41.425 42.059 -0.044 0.000 0.894 270 L HN 0.064 nan 8.230 nan 0.000 0.432 271 K N -1.065 119.334 120.400 -0.002 0.000 2.032 271 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 271 K C 2.058 178.677 176.600 0.031 0.000 1.048 271 K CA 1.460 57.751 56.287 0.007 0.000 0.927 271 K CB -0.415 32.096 32.500 0.018 0.000 0.712 271 K HN 0.417 nan 8.250 nan 0.000 0.441 272 A N 1.361 124.232 122.820 0.085 0.000 1.972 272 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 272 A C 1.869 179.475 177.584 0.035 0.000 1.169 272 A CA 2.028 54.115 52.037 0.082 0.000 0.635 272 A CB -0.616 18.473 19.000 0.149 0.000 0.810 272 A HN 0.365 nan 8.150 nan 0.000 0.446 273 N N -0.420 118.293 118.700 0.022 0.000 2.250 273 N HA 0.010 4.750 4.740 -0.000 0.000 0.181 273 N C 1.442 176.943 175.510 -0.016 0.000 1.017 273 N CA 1.221 54.270 53.050 -0.001 0.000 0.866 273 N CB -0.274 38.203 38.487 -0.016 0.000 0.985 273 N HN 0.476 nan 8.380 nan 0.000 0.429 274 I N -0.008 120.544 120.570 -0.029 0.000 2.233 274 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 274 I C 2.173 178.275 176.117 -0.026 0.000 1.093 274 I CA 1.143 62.415 61.300 -0.046 0.000 1.380 274 I CB -0.313 37.638 38.000 -0.082 0.000 1.067 274 I HN 0.266 nan 8.210 nan 0.000 0.413 275 S N 0.787 116.477 115.700 -0.016 0.000 2.423 275 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 275 S C 1.940 176.535 174.600 -0.008 0.000 1.014 275 S CA 0.701 58.895 58.200 -0.010 0.000 0.965 275 S CB -0.540 62.658 63.200 -0.003 0.000 0.785 275 S HN 0.317 nan 8.310 nan 0.000 0.495 276 L N 1.901 123.120 121.223 -0.007 0.000 2.044 276 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 276 L C 2.500 179.361 176.870 -0.015 0.000 1.075 276 L CA 1.817 56.650 54.840 -0.012 0.000 0.747 276 L CB -0.906 41.149 42.059 -0.007 0.000 0.903 276 L HN 0.286 nan 8.230 nan 0.000 0.435 277 E N -1.311 118.892 120.200 0.004 0.000 2.204 277 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 277 E C 1.887 178.545 176.600 0.097 0.000 0.990 277 E CA 1.513 57.942 56.400 0.049 0.000 0.821 277 E CB -0.071 29.676 29.700 0.079 0.000 0.750 277 E HN 0.538 nan 8.360 nan 0.000 0.477 278 T N 1.409 115.989 114.554 0.044 0.000 2.674 278 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 278 T C 1.922 176.635 174.700 0.022 0.000 1.039 278 T CA 0.891 63.014 62.100 0.037 0.000 1.150 278 T CB -0.131 68.739 68.868 0.004 0.000 0.864 278 T HN 0.120 nan 8.240 nan 0.000 0.427 279 L N 0.598 121.814 121.223 -0.012 0.000 2.093 279 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 279 L C 2.589 179.418 176.870 -0.069 0.000 1.085 279 L CA 1.363 56.181 54.840 -0.036 0.000 0.755 279 L CB -0.644 41.390 42.059 -0.041 0.000 0.904 279 L HN 0.329 nan 8.230 nan 0.000 0.435 280 E N -0.955 119.179 120.200 -0.109 0.000 2.274 280 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 280 E C 1.982 178.423 176.600 -0.266 0.000 0.996 280 E CA 0.605 56.883 56.400 -0.203 0.000 0.840 280 E CB 0.100 29.644 29.700 -0.261 0.000 0.772 280 E HN 0.569 nan 8.360 nan 0.000 0.491 281 H N -0.262 118.784 119.070 -0.040 0.000 2.388 281 H HA 0.115 4.671 4.556 -0.000 0.000 0.304 281 H C 1.545 176.850 175.328 -0.037 0.000 1.049 281 H CA 0.460 56.487 56.048 -0.035 0.000 1.371 281 H CB 0.342 30.086 29.762 -0.030 0.000 1.436 281 H HN 0.072 nan 8.280 nan 0.000 0.544 282 N N 0.590 119.339 118.700 0.081 0.000 2.060 282 N HA -0.003 4.737 4.740 -0.000 0.000 0.216 282 N C 1.136 176.639 175.510 -0.011 0.000 1.047 282 N CA 0.597 53.664 53.050 0.028 0.000 1.062 282 N CB -0.735 37.763 38.487 0.018 0.000 1.341 282 N HN 0.147 nan 8.380 nan 0.000 0.550 283 G N -0.412 108.373 108.800 -0.025 0.000 2.356 283 G HA2 0.538 4.498 3.960 -0.000 0.000 0.312 283 G HA3 0.538 4.498 3.960 -0.000 0.000 0.312 283 G C -0.801 174.053 174.900 -0.076 0.000 1.096 283 G CA -0.320 44.752 45.100 -0.047 0.000 0.950 283 G HN 0.499 nan 8.290 nan 0.000 0.428 284 A N 5.155 127.901 122.820 -0.124 0.000 2.478 284 A HA 0.612 4.932 4.320 -0.000 0.000 0.327 284 A C -1.353 176.079 177.584 -0.253 0.000 1.431 284 A CA -1.394 50.532 52.037 -0.186 0.000 1.014 284 A CB 0.648 19.507 19.000 -0.235 0.000 1.143 284 A HN 0.500 nan 8.150 nan 0.000 0.532 285 P HA 0.074 nan 4.420 nan 0.000 0.243 285 P C 0.584 177.863 177.300 -0.035 0.000 1.668 285 P CA 0.072 63.120 63.100 -0.087 0.000 0.898 285 P CB -0.362 31.324 31.700 -0.024 0.000 1.637 286 H N 0.398 119.403 119.070 -0.109 0.000 1.452 286 H HA -0.225 4.331 4.556 -0.000 0.000 0.090 286 H C 0.615 175.804 175.328 -0.232 0.000 0.618 286 H CA 1.732 57.644 56.048 -0.227 0.000 1.901 286 H CB -1.799 27.804 29.762 -0.266 0.000 2.257 286 H HN 0.417 nan 8.280 nan 0.000 0.961 287 H N 1.471 120.630 119.070 0.149 0.000 2.708 287 H HA 0.476 5.032 4.556 -0.000 0.000 0.309 287 H C 1.133 176.482 175.328 0.035 0.000 1.084 287 H CA 0.828 56.914 56.048 0.063 0.000 1.165 287 H CB -0.113 29.672 29.762 0.038 0.000 1.388 287 H HN 0.483 nan 8.280 nan 0.000 0.553 288 A N -0.117 122.763 122.820 0.099 0.000 2.419 288 A HA 0.195 4.515 4.320 -0.000 0.000 0.233 288 A C 1.973 179.572 177.584 0.025 0.000 1.217 288 A CA -0.203 51.867 52.037 0.054 0.000 0.944 288 A CB 0.190 19.212 19.000 0.038 0.000 1.025 288 A HN 0.233 nan 8.150 nan 0.000 0.524 289 I N 0.766 121.346 120.570 0.018 0.000 2.333 289 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 289 I C 2.306 178.429 176.117 0.010 0.000 1.106 289 I CA 1.365 62.663 61.300 -0.002 0.000 1.411 289 I CB -0.355 37.630 38.000 -0.024 0.000 1.082 289 I HN 0.534 nan 8.210 nan 0.000 0.420 290 E N 1.780 122.001 120.200 0.035 0.000 2.394 290 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 290 E C 1.172 177.775 176.600 0.006 0.000 1.029 290 E CA 1.307 57.726 56.400 0.031 0.000 0.855 290 E CB -0.528 29.209 29.700 0.062 0.000 0.770 290 E HN 0.635 nan 8.360 nan 0.000 0.527 291 E N 0.281 120.481 120.200 0.001 0.000 2.481 291 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 291 E C 1.532 178.116 176.600 -0.027 0.000 1.047 291 E CA 0.534 56.924 56.400 -0.017 0.000 0.867 291 E CB 0.353 30.046 29.700 -0.013 0.000 0.858 291 E HN 0.438 nan 8.360 nan 0.000 0.513 292 A N 0.651 123.460 122.820 -0.018 0.000 2.192 292 A HA 0.074 4.394 4.320 -0.000 0.000 0.208 292 A C 1.708 179.282 177.584 -0.016 0.000 1.220 292 A CA -0.074 51.951 52.037 -0.020 0.000 0.900 292 A CB 0.267 19.259 19.000 -0.012 0.000 0.937 292 A HN 0.012 nan 8.150 nan 0.000 0.487 293 E N 0.800 120.995 120.200 -0.009 0.000 2.047 293 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 293 E C 2.141 178.739 176.600 -0.003 0.000 0.987 293 E CA 1.553 57.954 56.400 0.001 0.000 0.799 293 E CB -0.115 29.589 29.700 0.007 0.000 0.752 293 E HN 0.713 nan 8.360 nan 0.000 0.449 294 S N 0.495 116.183 115.700 -0.020 0.000 2.474 294 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 294 S C 1.870 176.460 174.600 -0.016 0.000 0.997 294 S CA 0.412 58.596 58.200 -0.025 0.000 0.949 294 S CB -0.010 63.159 63.200 -0.051 0.000 0.766 294 S HN 0.073 nan 8.310 nan 0.000 0.517 295 L N 0.441 121.635 121.223 -0.048 0.000 2.127 295 L HA 0.349 4.689 4.340 -0.000 0.000 0.203 295 L C 2.143 178.938 176.870 -0.124 0.000 1.080 295 L CA 0.983 55.758 54.840 -0.107 0.000 0.768 295 L CB -0.626 41.353 42.059 -0.134 0.000 0.924 295 L HN 0.356 nan 8.230 nan 0.000 0.444 296 L N -0.521 120.682 121.223 -0.033 0.000 2.093 296 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 296 L C 2.482 179.387 176.870 0.058 0.000 1.085 296 L CA 1.876 56.730 54.840 0.024 0.000 0.755 296 L CB -0.611 41.468 42.059 0.033 0.000 0.904 296 L HN 0.471 nan 8.230 nan 0.000 0.435 297 Q N -1.292 118.546 119.800 0.063 0.000 2.170 297 Q HA -0.258 4.082 4.340 -0.000 0.000 0.203 297 Q C 2.006 178.087 176.000 0.134 0.000 0.976 297 Q CA 2.055 57.915 55.803 0.094 0.000 0.858 297 Q CB -0.541 28.230 28.738 0.056 0.000 0.907 297 Q HN 0.532 nan 8.270 nan 0.000 0.433 298 F N -0.289 119.631 119.950 -0.050 0.000 2.187 298 F HA 0.000 4.527 4.527 -0.000 0.000 0.295 298 F C 1.665 177.506 175.800 0.068 0.000 1.091 298 F CA 1.818 59.797 58.000 -0.035 0.000 1.308 298 F CB -0.266 38.660 39.000 -0.124 0.000 1.030 298 F HN 0.235 nan 8.300 nan 0.000 0.487 299 H N -1.514 117.529 119.070 -0.044 0.000 2.363 299 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 299 H C 2.359 177.656 175.328 -0.051 0.000 1.074 299 H CA 1.187 57.163 56.048 -0.121 0.000 1.354 299 H CB -0.167 29.589 29.762 -0.009 0.000 1.397 299 H HN 0.112 nan 8.280 nan 0.000 0.516 300 V N 0.952 120.940 119.914 0.122 0.000 2.407 300 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 300 V C 2.533 178.708 176.094 0.136 0.000 1.055 300 V CA 1.745 64.112 62.300 0.112 0.000 1.049 300 V CB -0.655 31.223 31.823 0.092 0.000 0.662 300 V HN 0.539 nan 8.190 nan 0.000 0.455 301 A N -1.491 121.374 122.820 0.075 0.000 1.930 301 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 301 A C 2.391 179.969 177.584 -0.009 0.000 1.176 301 A CA 2.035 54.102 52.037 0.049 0.000 0.632 301 A CB -0.721 18.321 19.000 0.070 0.000 0.819 301 A HN 0.423 nan 8.150 nan 0.000 0.445 302 T N -1.829 112.651 114.554 -0.123 0.000 2.995 302 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 302 T C 1.594 176.281 174.700 -0.022 0.000 1.091 302 T CA 1.307 63.296 62.100 -0.186 0.000 1.128 302 T CB -0.420 68.134 68.868 -0.522 0.000 0.891 302 T HN 0.580 nan 8.240 nan 0.000 0.492 303 Y N 0.889 121.142 120.300 -0.079 0.000 2.403 303 Y HA 0.034 4.583 4.550 -0.000 0.000 0.291 303 Y C 1.679 177.579 175.900 -0.000 0.000 1.143 303 Y CA 1.313 59.395 58.100 -0.030 0.000 1.257 303 Y CB -0.224 38.229 38.460 -0.011 0.000 0.984 303 Y HN 0.247 nan 8.280 nan 0.000 0.550 304 M N -1.096 118.457 119.600 -0.078 0.000 2.331 304 M HA 0.181 4.661 4.480 -0.000 0.000 0.266 304 M C -0.747 175.545 176.300 -0.012 0.000 1.055 304 M CA 0.248 55.484 55.300 -0.106 0.000 1.048 304 M CB 0.908 33.488 32.600 -0.034 0.000 1.460 304 M HN -0.050 nan 8.290 nan 0.000 0.519 305 D N 0.538 120.932 120.400 -0.010 0.000 2.812 305 D HA 0.164 4.804 4.640 -0.000 0.000 0.210 305 D C -1.291 175.005 176.300 -0.007 0.000 1.260 305 D CA -0.120 53.884 54.000 0.007 0.000 0.817 305 D CB 0.988 41.806 40.800 0.029 0.000 1.694 305 D HN 0.350 nan 8.370 nan 0.000 0.530 306 N N 1.465 120.168 118.700 0.005 0.000 2.299 306 N HA 0.115 4.855 4.740 -0.000 0.000 0.246 306 N C -0.813 174.722 175.510 0.041 0.000 1.254 306 N CA -0.440 52.620 53.050 0.017 0.000 0.879 306 N CB 1.266 39.763 38.487 0.016 0.000 1.214 306 N HN 0.077 nan 8.380 nan 0.000 0.510 307 D N 1.172 121.594 120.400 0.037 0.000 2.420 307 D HA 0.446 5.086 4.640 -0.000 0.000 0.255 307 D C -0.073 176.252 176.300 0.042 0.000 1.185 307 D CA -0.443 53.580 54.000 0.040 0.000 0.904 307 D CB 0.802 41.619 40.800 0.027 0.000 1.102 307 D HN 0.184 nan 8.370 nan 0.000 0.534 308 I N 1.069 121.673 120.570 0.056 0.000 4.019 308 I HA 0.595 4.765 4.170 -0.000 0.000 0.256 308 I C 1.079 177.227 176.117 0.052 0.000 0.623 308 I CA -0.742 60.591 61.300 0.055 0.000 2.918 308 I CB 0.127 38.171 38.000 0.073 0.000 1.494 308 I HN 0.298 nan 8.210 nan 0.000 0.528 309 A N -0.084 122.772 122.820 0.061 0.000 2.736 309 A HA 0.542 4.862 4.320 -0.000 0.000 0.222 309 A C 1.006 178.621 177.584 0.051 0.000 1.267 309 A CA 0.475 52.541 52.037 0.047 0.000 1.026 309 A CB -0.462 18.560 19.000 0.037 0.000 1.281 309 A HN 0.544 nan 8.150 nan 0.000 0.577 310 G N 0.125 108.972 108.800 0.079 0.000 2.948 310 G HA2 0.412 4.372 3.960 -0.000 0.000 0.174 310 G HA3 0.412 4.372 3.960 -0.000 0.000 0.174 310 G C 0.162 175.107 174.900 0.075 0.000 1.839 310 G CA 0.325 45.472 45.100 0.079 0.000 0.908 310 G HN 0.429 nan 8.290 nan 0.000 0.419 311 Q N -0.048 119.831 119.800 0.131 0.000 2.379 311 Q HA 0.344 4.684 4.340 -0.000 0.000 0.278 311 Q C -2.193 173.930 176.000 0.204 0.000 1.068 311 Q CA -1.657 54.215 55.803 0.115 0.000 0.816 311 Q CB 3.032 31.794 28.738 0.041 0.000 1.387 311 Q HN 0.301 nan 8.270 nan 0.000 0.413 312 P HA 0.011 nan 4.420 nan 0.000 0.330 312 P C -0.611 176.801 177.300 0.188 0.000 1.377 312 P CA 0.252 63.438 63.100 0.142 0.000 0.793 312 P CB 0.593 32.348 31.700 0.091 0.000 1.813 313 Q N -2.616 117.266 119.800 0.136 0.000 3.078 313 Q HA 0.697 5.037 4.340 -0.000 0.000 0.348 313 Q C -1.130 174.935 176.000 0.109 0.000 0.861 313 Q CA -0.806 55.082 55.803 0.142 0.000 0.822 313 Q CB 1.211 30.012 28.738 0.106 0.000 1.395 313 Q HN 0.570 nan 8.270 nan 0.000 0.497 314 A N -0.063 122.818 122.820 0.101 0.000 2.284 314 A HA 0.840 5.160 4.320 -0.000 0.000 0.317 314 A C -1.532 176.108 177.584 0.094 0.000 1.120 314 A CA -0.386 51.701 52.037 0.083 0.000 0.900 314 A CB 0.678 19.717 19.000 0.065 0.000 1.319 314 A HN 0.565 nan 8.150 nan 0.000 0.494 315 L N -1.183 120.098 121.223 0.098 0.000 2.354 315 L HA 0.578 4.918 4.340 -0.000 0.000 0.269 315 L C 0.907 177.816 176.870 0.065 0.000 1.005 315 L CA -0.318 54.565 54.840 0.071 0.000 0.819 315 L CB 1.600 43.696 42.059 0.062 0.000 1.311 315 L HN 0.792 nan 8.230 nan 0.000 0.423 316 Q N 1.694 121.523 119.800 0.048 0.000 2.204 316 Q HA -0.304 4.036 4.340 -0.000 0.000 0.220 316 Q C 0.546 176.572 176.000 0.042 0.000 1.064 316 Q CA 3.026 58.853 55.803 0.040 0.000 0.946 316 Q CB -0.504 28.253 28.738 0.031 0.000 1.083 316 Q HN 0.770 nan 8.270 nan 0.000 0.443 317 K N -0.222 120.210 120.400 0.053 0.000 3.013 317 K HA 0.342 4.662 4.320 -0.000 0.000 0.321 317 K C 0.924 177.567 176.600 0.072 0.000 1.004 317 K CA 0.270 56.591 56.287 0.056 0.000 1.441 317 K CB -0.261 32.277 32.500 0.065 0.000 1.653 317 K HN 0.360 nan 8.250 nan 0.000 0.661 318 S N -0.447 115.308 115.700 0.092 0.000 2.924 318 S HA -0.227 4.243 4.470 -0.000 0.000 0.634 318 S C 0.461 175.097 174.600 0.060 0.000 3.063 318 S CA 0.160 58.418 58.200 0.098 0.000 3.276 318 S CB -1.689 61.605 63.200 0.157 0.000 0.332 318 S HN 0.813 nan 8.310 nan 0.000 1.789 319 G N 1.503 110.334 108.800 0.051 0.000 2.457 319 G HA2 0.508 4.468 3.960 -0.000 0.000 0.316 319 G HA3 0.508 4.468 3.960 -0.000 0.000 0.316 319 G C 0.132 175.057 174.900 0.042 0.000 1.030 319 G CA -0.432 44.688 45.100 0.033 0.000 1.073 319 G HN 0.806 nan 8.290 nan 0.000 0.430 320 R N 3.562 124.087 120.500 0.041 0.000 2.532 320 R HA 0.562 4.902 4.340 -0.000 0.000 0.295 320 R C -2.159 174.162 176.300 0.035 0.000 0.968 320 R CA -1.216 54.912 56.100 0.046 0.000 0.916 320 R CB 1.256 31.588 30.300 0.053 0.000 1.124 320 R HN 0.314 nan 8.270 nan 0.000 0.463 321 P HA 0.097 nan 4.420 nan 0.000 0.277 321 P C 0.333 177.660 177.300 0.046 0.000 1.276 321 P CA -0.616 62.513 63.100 0.049 0.000 0.788 321 P CB 0.194 31.924 31.700 0.050 0.000 1.114 322 V N -1.436 118.510 119.914 0.054 0.000 3.857 322 V HA 0.121 4.241 4.120 -0.000 0.000 0.275 322 V C 1.635 177.744 176.094 0.026 0.000 0.992 322 V CA 0.503 62.832 62.300 0.048 0.000 0.998 322 V CB -0.493 31.370 31.823 0.066 0.000 1.234 322 V HN 0.788 nan 8.190 nan 0.000 0.438 323 K N 0.233 120.642 120.400 0.014 0.000 2.286 323 K HA 0.079 4.398 4.320 -0.000 0.000 0.203 323 K C 1.109 177.698 176.600 -0.019 0.000 1.078 323 K CA 1.771 58.056 56.287 -0.004 0.000 0.957 323 K CB -0.378 32.115 32.500 -0.012 0.000 1.018 323 K HN 1.947 nan 8.250 nan 0.000 0.484 324 S N 0.928 116.609 115.700 -0.033 0.000 3.586 324 S HA -0.196 4.274 4.470 -0.000 0.000 0.309 324 S C 0.777 175.307 174.600 -0.118 0.000 1.195 324 S CA 1.043 59.196 58.200 -0.078 0.000 0.895 324 S CB -2.661 60.512 63.200 -0.044 0.000 0.983 324 S HN 0.602 nan 8.310 nan 0.000 0.563 325 I N -2.614 117.892 120.570 -0.108 0.000 4.270 325 I HA -0.472 3.698 4.170 -0.000 0.000 0.084 325 I C 2.225 178.311 176.117 -0.051 0.000 0.554 325 I CA 2.157 63.398 61.300 -0.098 0.000 1.128 325 I CB -1.763 36.144 38.000 -0.156 0.000 1.004 325 I HN 0.562 nan 8.210 nan 0.000 0.177 326 R N 0.966 121.450 120.500 -0.027 0.000 2.094 326 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 326 R C 2.282 178.572 176.300 -0.017 0.000 1.137 326 R CA 2.368 58.468 56.100 0.001 0.000 0.943 326 R CB -0.335 29.983 30.300 0.030 0.000 0.850 326 R HN 0.630 nan 8.270 nan 0.000 0.433 327 A N 1.006 123.815 122.820 -0.018 0.000 1.978 327 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 327 A C 2.148 179.718 177.584 -0.023 0.000 1.170 327 A CA 1.273 53.300 52.037 -0.018 0.000 0.636 327 A CB -0.364 18.629 19.000 -0.013 0.000 0.810 327 A HN 0.326 nan 8.150 nan 0.000 0.448 328 R N -0.428 120.054 120.500 -0.029 0.000 2.075 328 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 328 R C 2.044 178.325 176.300 -0.031 0.000 1.140 328 R CA 1.602 57.684 56.100 -0.029 0.000 0.928 328 R CB -0.690 29.590 30.300 -0.033 0.000 0.834 328 R HN 0.491 nan 8.270 nan 0.000 0.429 329 L N 1.123 122.322 121.223 -0.039 0.000 2.187 329 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 329 L C 1.069 177.912 176.870 -0.046 0.000 1.100 329 L CA 0.898 55.710 54.840 -0.048 0.000 0.765 329 L CB -0.535 41.481 42.059 -0.071 0.000 0.904 329 L HN 0.155 nan 8.230 nan 0.000 0.437 330 K N 1.235 121.610 120.400 -0.041 0.000 2.524 330 K HA 0.053 4.373 4.320 -0.000 0.000 0.279 330 K C 0.641 177.217 176.600 -0.040 0.000 0.993 330 K CA -0.013 56.249 56.287 -0.041 0.000 1.030 330 K CB 0.496 32.976 32.500 -0.033 0.000 0.891 330 K HN 0.124 nan 8.250 nan 0.000 0.488 331 G N 2.747 111.517 108.800 -0.050 0.000 2.287 331 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.235 331 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.235 331 G C -0.510 174.369 174.900 -0.035 0.000 1.258 331 G CA 0.029 45.101 45.100 -0.047 0.000 0.884 331 G HN 0.681 nan 8.290 nan 0.000 0.518 332 K N 1.325 121.711 120.400 -0.022 0.000 6.806 332 K HA -0.190 4.130 4.320 -0.000 0.000 0.764 332 K C 0.693 177.285 176.600 -0.014 0.000 2.469 332 K CA 1.150 57.429 56.287 -0.014 0.000 1.793 332 K CB -0.642 31.849 32.500 -0.015 0.000 2.301 332 K HN 0.935 nan 8.250 nan 0.000 0.246 333 E N -1.430 118.764 120.200 -0.009 0.000 3.628 333 E HA -0.201 4.149 4.350 -0.000 0.000 0.309 333 E C 0.283 176.876 176.600 -0.012 0.000 0.839 333 E CA 1.743 58.137 56.400 -0.009 0.000 1.123 333 E CB -1.628 28.066 29.700 -0.010 0.000 1.568 333 E HN 0.972 nan 8.360 nan 0.000 0.440 334 G N -0.401 108.391 108.800 -0.014 0.000 2.740 334 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 334 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 334 G C 0.674 175.564 174.900 -0.017 0.000 1.439 334 G CA -0.237 44.853 45.100 -0.017 0.000 1.066 334 G HN -0.084 nan 8.290 nan 0.000 0.527 335 R N 0.803 121.293 120.500 -0.017 0.000 3.338 335 R HA -0.338 4.002 4.340 -0.000 0.000 0.618 335 R C 2.204 178.497 176.300 -0.012 0.000 0.284 335 R CA 2.095 58.186 56.100 -0.015 0.000 0.902 335 R CB -1.532 28.757 30.300 -0.019 0.000 0.624 335 R HN 0.652 nan 8.270 nan 0.000 0.363 336 I N 0.991 121.552 120.570 -0.015 0.000 2.143 336 I HA -0.349 3.821 4.170 -0.000 0.000 0.245 336 I C 2.861 178.976 176.117 -0.003 0.000 1.068 336 I CA 1.987 63.281 61.300 -0.010 0.000 1.326 336 I CB -0.359 37.631 38.000 -0.017 0.000 1.028 336 I HN 0.306 nan 8.210 nan 0.000 0.412 337 R N 0.165 120.662 120.500 -0.005 0.000 2.062 337 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 337 R C 2.017 178.318 176.300 0.003 0.000 1.125 337 R CA 1.469 57.571 56.100 0.002 0.000 0.966 337 R CB -0.420 29.879 30.300 -0.002 0.000 0.861 337 R HN 0.430 nan 8.270 nan 0.000 0.433 338 G N -0.620 108.179 108.800 -0.002 0.000 3.393 338 G HA2 0.010 3.970 3.960 -0.000 0.000 0.255 338 G HA3 0.010 3.970 3.960 -0.000 0.000 0.255 338 G C 0.582 175.482 174.900 -0.001 0.000 1.097 338 G CA -0.210 44.890 45.100 -0.000 0.000 0.780 338 G HN 0.186 nan 8.290 nan 0.000 0.540 339 N N -0.610 118.089 118.700 -0.002 0.000 2.372 339 N HA 0.162 4.902 4.740 -0.000 0.000 0.242 339 N C 1.699 177.208 175.510 -0.002 0.000 1.124 339 N CA -0.060 52.988 53.050 -0.003 0.000 0.824 339 N CB 0.534 39.018 38.487 -0.006 0.000 1.468 339 N HN 0.177 nan 8.380 nan 0.000 0.470 340 L N 0.378 121.600 121.223 -0.002 0.000 2.316 340 L HA 0.309 4.649 4.340 -0.000 0.000 0.207 340 L C 1.454 178.323 176.870 -0.001 0.000 1.070 340 L CA 0.631 55.470 54.840 -0.002 0.000 0.820 340 L CB 0.140 42.198 42.059 -0.002 0.000 0.992 340 L HN -0.026 nan 8.230 nan 0.000 0.466 341 M N -1.084 118.517 119.600 0.001 0.000 2.346 341 M HA 0.323 4.803 4.480 -0.000 0.000 0.280 341 M C 0.161 176.462 176.300 0.001 0.000 1.075 341 M CA -0.022 55.279 55.300 0.001 0.000 0.989 341 M CB 1.089 33.693 32.600 0.007 0.000 1.447 341 M HN 0.117 nan 8.290 nan 0.000 0.511 342 G N 1.544 110.345 108.800 0.002 0.000 2.513 342 G HA2 0.467 4.427 3.960 -0.000 0.000 0.282 342 G HA3 0.467 4.427 3.960 -0.000 0.000 0.282 342 G C -1.179 173.725 174.900 0.006 0.000 1.397 342 G CA -0.638 44.465 45.100 0.004 0.000 1.291 342 G HN 0.087 nan 8.290 nan 0.000 0.596 343 K N 1.679 122.085 120.400 0.009 0.000 2.281 343 K HA 0.541 4.861 4.320 -0.000 0.000 0.242 343 K C -0.184 176.431 176.600 0.025 0.000 0.971 343 K CA -1.148 55.147 56.287 0.013 0.000 0.834 343 K CB 2.208 34.715 32.500 0.011 0.000 1.181 343 K HN 0.288 nan 8.250 nan 0.000 0.435 344 R N 1.912 122.425 120.500 0.023 0.000 2.291 344 R HA 0.083 4.423 4.340 -0.000 0.000 0.333 344 R C 0.204 176.526 176.300 0.036 0.000 1.082 344 R CA -0.205 55.914 56.100 0.031 0.000 0.948 344 R CB -0.185 30.124 30.300 0.014 0.000 1.009 344 R HN 0.468 nan 8.270 nan 0.000 0.460 345 V N -0.561 119.397 119.914 0.073 0.000 2.863 345 V HA 0.338 4.458 4.120 -0.000 0.000 0.307 345 V C 0.457 176.579 176.094 0.048 0.000 1.061 345 V CA -1.054 61.294 62.300 0.079 0.000 1.024 345 V CB 1.438 33.345 31.823 0.140 0.000 1.049 345 V HN 0.438 nan 8.190 nan 0.000 0.471 346 D N 0.909 121.299 120.400 -0.017 0.000 2.384 346 D HA 0.315 4.955 4.640 -0.000 0.000 0.244 346 D C 0.373 176.639 176.300 -0.056 0.000 1.251 346 D CA 0.328 54.191 54.000 -0.228 0.000 0.961 346 D CB 0.066 40.511 40.800 -0.591 0.000 1.116 346 D HN 0.774 nan 8.370 nan 0.000 0.484 347 F N -1.662 118.330 119.950 0.070 0.000 3.074 347 F HA -0.266 4.261 4.527 -0.000 0.000 0.289 347 F C 0.698 176.543 175.800 0.075 0.000 0.863 347 F CA 0.146 58.196 58.000 0.084 0.000 1.121 347 F CB -2.135 36.925 39.000 0.100 0.000 1.169 347 F HN 0.107 nan 8.300 nan 0.000 0.570 348 S N -0.484 115.289 115.700 0.122 0.000 2.747 348 S HA 0.981 5.451 4.470 -0.000 0.000 0.300 348 S C -0.152 174.460 174.600 0.021 0.000 1.121 348 S CA -0.273 57.915 58.200 -0.020 0.000 0.995 348 S CB 2.686 65.811 63.200 -0.124 0.000 1.113 348 S HN 1.172 nan 8.310 nan 0.000 0.547 349 A N 0.449 123.284 122.820 0.024 0.000 2.589 349 A HA 0.804 5.124 4.320 -0.000 0.000 0.296 349 A C -0.872 176.830 177.584 0.197 0.000 1.062 349 A CA -0.850 51.253 52.037 0.109 0.000 0.686 349 A CB 1.469 20.576 19.000 0.178 0.000 1.282 349 A HN 0.950 nan 8.150 nan 0.000 0.404 350 R N 0.810 121.384 120.500 0.124 0.000 2.621 350 R HA 0.799 5.139 4.340 -0.000 0.000 0.284 350 R C -1.015 175.305 176.300 0.033 0.000 0.998 350 R CA 0.060 56.262 56.100 0.169 0.000 0.895 350 R CB 2.027 32.375 30.300 0.080 0.000 1.195 350 R HN 0.944 nan 8.270 nan 0.000 0.450 351 T N 0.143 114.741 114.554 0.075 0.000 2.671 351 T HA 0.299 4.649 4.350 -0.000 0.000 0.300 351 T C -0.637 174.107 174.700 0.074 0.000 1.238 351 T CA -0.737 61.328 62.100 -0.058 0.000 1.020 351 T CB 1.002 69.667 68.868 -0.340 0.000 1.503 351 T HN 0.227 nan 8.240 nan 0.000 0.497 352 V N 1.768 121.700 119.914 0.030 0.000 2.924 352 V HA 0.411 4.531 4.120 -0.000 0.000 0.305 352 V C 0.393 176.572 176.094 0.142 0.000 1.073 352 V CA -0.404 61.946 62.300 0.082 0.000 1.098 352 V CB 0.276 32.127 31.823 0.047 0.000 1.000 352 V HN 0.780 nan 8.190 nan 0.000 0.484 353 I N 1.268 121.966 120.570 0.213 0.000 2.648 353 I HA 0.926 5.096 4.170 -0.000 0.000 0.304 353 I C -0.116 176.106 176.117 0.174 0.000 1.009 353 I CA -0.278 61.186 61.300 0.273 0.000 1.114 353 I CB 2.255 40.495 38.000 0.399 0.000 1.293 353 I HN 0.624 nan 8.210 nan 0.000 0.449 354 S N 1.774 117.403 115.700 -0.118 0.000 2.607 354 S HA 0.743 5.212 4.470 -0.000 0.000 0.273 354 S C -0.289 173.639 174.600 -1.119 0.000 1.148 354 S CA -0.793 56.977 58.200 -0.716 0.000 0.833 354 S CB 1.209 64.192 63.200 -0.361 0.000 1.130 354 S HN 1.097 nan 8.310 nan 0.000 0.470 355 G N 0.175 108.032 108.800 -1.572 0.000 2.370 355 G HA2 0.492 4.451 3.960 -0.000 0.000 0.272 355 G HA3 0.492 4.451 3.960 -0.000 0.000 0.272 355 G C -1.208 173.493 174.900 -0.331 0.000 1.208 355 G CA -0.117 44.493 45.100 -0.817 0.000 0.856 355 G HN 0.612 nan 8.290 nan 0.000 0.500 356 D N 2.514 122.823 120.400 -0.150 0.000 2.549 356 D HA 0.309 4.949 4.640 -0.000 0.000 0.251 356 D C -1.841 174.450 176.300 -0.014 0.000 1.153 356 D CA -1.665 52.287 54.000 -0.079 0.000 0.861 356 D CB 3.023 43.784 40.800 -0.065 0.000 1.207 356 D HN 0.148 nan 8.370 nan 0.000 0.543 357 P HA 0.131 nan 4.420 nan 0.000 0.255 357 P C 0.324 177.646 177.300 0.037 0.000 1.248 357 P CA 0.088 63.199 63.100 0.020 0.000 0.807 357 P CB 0.666 32.364 31.700 -0.002 0.000 1.150 358 N N -0.496 118.230 118.700 0.044 0.000 2.203 358 N HA 0.155 4.895 4.740 -0.000 0.000 0.207 358 N C 0.519 176.070 175.510 0.069 0.000 1.130 358 N CA -0.039 53.060 53.050 0.083 0.000 0.861 358 N CB 0.599 39.153 38.487 0.112 0.000 1.005 358 N HN 0.244 nan 8.380 nan 0.000 0.507 359 L N 1.007 122.260 121.223 0.049 0.000 2.421 359 L HA 0.181 4.521 4.340 -0.000 0.000 0.263 359 L C 0.677 177.583 176.870 0.061 0.000 1.122 359 L CA -0.452 54.414 54.840 0.044 0.000 0.804 359 L CB 0.893 42.967 42.059 0.025 0.000 1.150 359 L HN -0.109 nan 8.230 nan 0.000 0.457 360 E N 1.030 121.264 120.200 0.057 0.000 2.318 360 E HA 0.037 4.387 4.350 -0.000 0.000 0.265 360 E C 0.640 177.275 176.600 0.058 0.000 1.069 360 E CA -0.424 56.014 56.400 0.063 0.000 0.893 360 E CB 1.214 30.947 29.700 0.054 0.000 1.076 360 E HN 0.431 nan 8.360 nan 0.000 0.414 361 L N 2.597 123.840 121.223 0.034 0.000 2.010 361 L HA -0.259 4.081 4.340 -0.000 0.000 0.219 361 L C 1.327 178.217 176.870 0.034 0.000 1.077 361 L CA 2.561 57.381 54.840 -0.033 0.000 0.773 361 L CB -0.535 41.401 42.059 -0.204 0.000 0.892 361 L HN 0.571 nan 8.230 nan 0.000 0.436 362 D N -1.572 118.840 120.400 0.020 0.000 2.349 362 D HA -0.065 4.575 4.640 -0.000 0.000 0.224 362 D C 0.760 177.157 176.300 0.162 0.000 1.029 362 D CA 0.111 54.116 54.000 0.009 0.000 0.879 362 D CB -0.275 40.490 40.800 -0.059 0.000 0.906 362 D HN 0.604 nan 8.370 nan 0.000 0.528 363 Q N -0.279 119.625 119.800 0.173 0.000 2.222 363 Q HA 0.520 4.860 4.340 -0.000 0.000 0.211 363 Q C -0.881 175.153 176.000 0.057 0.000 1.013 363 Q CA -0.779 55.094 55.803 0.117 0.000 0.993 363 Q CB 2.452 31.215 28.738 0.042 0.000 1.151 363 Q HN -0.014 nan 8.270 nan 0.000 0.544 364 V N -0.167 119.671 119.914 -0.126 0.000 2.697 364 V HA 0.433 4.553 4.120 -0.000 0.000 0.300 364 V C -0.866 175.098 176.094 -0.217 0.000 1.115 364 V CA -0.437 61.639 62.300 -0.375 0.000 0.912 364 V CB 1.851 33.138 31.823 -0.893 0.000 1.024 364 V HN 0.837 nan 8.190 nan 0.000 0.431 365 G N 5.644 114.355 108.800 -0.148 0.000 2.389 365 G HA2 0.460 4.420 3.960 -0.000 0.000 0.287 365 G HA3 0.460 4.420 3.960 -0.000 0.000 0.287 365 G C -0.470 174.444 174.900 0.023 0.000 1.126 365 G CA -0.057 45.012 45.100 -0.053 0.000 1.073 365 G HN 0.784 nan 8.290 nan 0.000 0.429 366 V N 6.408 126.329 119.914 0.012 0.000 2.394 366 V HA 0.304 4.424 4.120 -0.000 0.000 0.282 366 V C -1.718 174.339 176.094 -0.063 0.000 1.031 366 V CA -1.743 60.597 62.300 0.068 0.000 0.881 366 V CB 1.923 33.800 31.823 0.090 0.000 0.982 366 V HN 0.625 nan 8.190 nan 0.000 0.451 367 P HA 0.103 nan 4.420 nan 0.000 0.271 367 P C 0.599 177.794 177.300 -0.174 0.000 1.216 367 P CA -0.195 62.812 63.100 -0.155 0.000 0.771 367 P CB 1.008 32.589 31.700 -0.198 0.000 0.864 368 K N 3.285 123.566 120.400 -0.198 0.000 2.071 368 K HA -0.283 4.037 4.320 -0.000 0.000 0.217 368 K C 2.010 178.490 176.600 -0.200 0.000 1.054 368 K CA 2.857 58.992 56.287 -0.253 0.000 0.937 368 K CB -0.611 31.757 32.500 -0.220 0.000 0.719 368 K HN 0.542 nan 8.250 nan 0.000 0.454 369 S N 0.295 115.899 115.700 -0.161 0.000 2.387 369 S HA -0.188 4.282 4.470 -0.000 0.000 0.230 369 S C 2.024 176.552 174.600 -0.121 0.000 1.035 369 S CA 1.627 59.747 58.200 -0.134 0.000 1.014 369 S CB -0.589 62.541 63.200 -0.118 0.000 0.836 369 S HN 0.415 nan 8.310 nan 0.000 0.466 370 I N 1.964 122.460 120.570 -0.124 0.000 2.353 370 I HA -0.042 4.128 4.170 -0.000 0.000 0.248 370 I C 3.061 179.157 176.117 -0.036 0.000 1.119 370 I CA 0.874 62.126 61.300 -0.081 0.000 1.417 370 I CB -0.635 37.295 38.000 -0.117 0.000 1.078 370 I HN 0.432 nan 8.210 nan 0.000 0.421 371 A N 0.957 123.737 122.820 -0.067 0.000 1.902 371 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 371 A C 2.266 179.808 177.584 -0.070 0.000 1.181 371 A CA 1.626 53.656 52.037 -0.012 0.000 0.623 371 A CB -0.444 18.509 19.000 -0.077 0.000 0.818 371 A HN 0.308 nan 8.150 nan 0.000 0.443 372 K N -1.009 119.241 120.400 -0.251 0.000 2.283 372 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 372 K C 1.728 178.167 176.600 -0.269 0.000 1.048 372 K CA 1.505 57.381 56.287 -0.685 0.000 0.948 372 K CB -0.125 32.099 32.500 -0.459 0.000 0.742 372 K HN 0.514 nan 8.250 nan 0.000 0.458 373 T N 1.031 115.553 114.554 -0.053 0.000 2.953 373 T HA 0.112 4.462 4.350 -0.000 0.000 0.247 373 T C 0.716 175.515 174.700 0.165 0.000 1.029 373 T CA 0.093 62.229 62.100 0.060 0.000 1.144 373 T CB 0.120 69.006 68.868 0.029 0.000 0.870 373 T HN 0.009 nan 8.240 nan 0.000 0.446 374 L N 2.152 123.473 121.223 0.164 0.000 2.455 374 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 374 L C 0.550 177.597 176.870 0.294 0.000 1.174 374 L CA 0.060 55.049 54.840 0.249 0.000 0.869 374 L CB 0.446 42.632 42.059 0.210 0.000 1.130 374 L HN 0.132 nan 8.230 nan 0.000 0.474 375 T N 2.045 116.797 114.554 0.331 0.000 2.930 375 T HA 0.508 4.858 4.350 -0.000 0.000 0.290 375 T C -1.540 173.254 174.700 0.156 0.000 1.052 375 T CA -0.385 61.877 62.100 0.269 0.000 1.017 375 T CB 1.150 70.197 68.868 0.299 0.000 1.137 375 T HN 0.402 nan 8.240 nan 0.000 0.511 376 Y N 3.928 124.233 120.300 0.009 0.000 2.331 376 Y HA 0.473 5.023 4.550 -0.000 0.000 0.326 376 Y C -2.506 173.370 175.900 -0.040 0.000 1.020 376 Y CA -2.413 55.647 58.100 -0.067 0.000 1.136 376 Y CB 2.081 40.523 38.460 -0.029 0.000 1.157 376 Y HN 0.372 nan 8.280 nan 0.000 0.444 377 P HA 0.027 nan 4.420 nan 0.000 0.264 377 P C -0.673 176.386 177.300 -0.402 0.000 1.537 377 P CA 0.483 63.330 63.100 -0.422 0.000 1.189 377 P CB 0.298 31.764 31.700 -0.391 0.000 1.687 378 E N 2.267 122.456 120.200 -0.019 0.000 2.266 378 E HA 0.292 4.642 4.350 -0.000 0.000 0.277 378 E C -0.592 176.073 176.600 0.109 0.000 1.018 378 E CA -0.925 55.578 56.400 0.171 0.000 0.840 378 E CB 1.113 31.005 29.700 0.321 0.000 1.082 378 E HN 0.048 nan 8.360 nan 0.000 0.395 379 V N 4.194 124.176 119.914 0.113 0.000 2.498 379 V HA 0.086 4.206 4.120 -0.000 0.000 0.279 379 V C 0.143 176.308 176.094 0.120 0.000 1.048 379 V CA -0.772 61.591 62.300 0.105 0.000 0.967 379 V CB 1.212 33.085 31.823 0.083 0.000 0.988 379 V HN 0.504 nan 8.190 nan 0.000 0.473 380 V N 5.070 125.072 119.914 0.147 0.000 2.493 380 V HA 0.200 4.320 4.120 -0.000 0.000 0.292 380 V C 0.597 176.782 176.094 0.152 0.000 1.016 380 V CA 0.876 63.269 62.300 0.154 0.000 1.097 380 V CB 0.391 32.312 31.823 0.164 0.000 0.947 380 V HN 1.072 nan 8.190 nan 0.000 0.479 381 T N 7.750 122.373 114.554 0.115 0.000 2.956 381 T HA 0.347 4.697 4.350 -0.000 0.000 0.312 381 T C -1.886 172.761 174.700 -0.089 0.000 1.151 381 T CA -0.703 61.355 62.100 -0.071 0.000 1.024 381 T CB 2.419 71.221 68.868 -0.110 0.000 1.140 381 T HN 0.400 nan 8.240 nan 0.000 0.473 382 P HA -0.160 nan 4.420 nan 0.000 0.218 382 P C 0.891 178.173 177.300 -0.030 0.000 1.146 382 P CA 1.485 64.488 63.100 -0.160 0.000 0.820 382 P CB -0.036 31.396 31.700 -0.447 0.000 0.778 383 Y N 0.800 121.103 120.300 0.006 0.000 2.439 383 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 383 Y C 2.065 177.983 175.900 0.029 0.000 1.130 383 Y CA 0.802 58.909 58.100 0.011 0.000 1.254 383 Y CB -0.718 37.742 38.460 -0.000 0.000 1.000 383 Y HN 0.222 nan 8.280 nan 0.000 0.554 384 N N -1.458 117.339 118.700 0.161 0.000 2.239 384 N HA 0.015 4.755 4.740 -0.000 0.000 0.208 384 N C 1.132 176.693 175.510 0.085 0.000 1.200 384 N CA -0.038 53.083 53.050 0.117 0.000 0.895 384 N CB -0.791 37.765 38.487 0.115 0.000 1.085 384 N HN 0.160 nan 8.380 nan 0.000 0.500 385 I N 1.609 122.233 120.570 0.091 0.000 2.147 385 I HA -0.388 3.782 4.170 -0.000 0.000 0.245 385 I C 1.136 177.269 176.117 0.028 0.000 1.059 385 I CA 1.929 63.264 61.300 0.057 0.000 1.320 385 I CB -0.303 37.730 38.000 0.054 0.000 1.021 385 I HN 0.287 nan 8.210 nan 0.000 0.415 386 D N -0.065 120.354 120.400 0.033 0.000 2.087 386 D HA -0.236 4.404 4.640 -0.000 0.000 0.192 386 D C 2.168 178.477 176.300 0.016 0.000 0.993 386 D CA 1.358 55.369 54.000 0.019 0.000 0.828 386 D CB -0.392 40.423 40.800 0.024 0.000 0.968 386 D HN 0.370 nan 8.370 nan 0.000 0.448 387 R N 0.747 121.263 120.500 0.026 0.000 2.080 387 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 387 R C 2.693 179.002 176.300 0.015 0.000 1.137 387 R CA 0.858 56.969 56.100 0.019 0.000 0.943 387 R CB -0.460 29.856 30.300 0.027 0.000 0.846 387 R HN 0.152 nan 8.270 nan 0.000 0.431 388 L N 0.031 121.271 121.223 0.029 0.000 1.970 388 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 388 L C 2.538 179.417 176.870 0.015 0.000 1.071 388 L CA 2.132 56.990 54.840 0.030 0.000 0.751 388 L CB -0.822 41.269 42.059 0.053 0.000 0.889 388 L HN 0.356 nan 8.230 nan 0.000 0.432 389 T N -1.168 113.390 114.554 0.007 0.000 2.665 389 T HA -0.324 4.026 4.350 -0.000 0.000 0.268 389 T C 1.741 176.437 174.700 -0.008 0.000 1.035 389 T CA 1.826 63.922 62.100 -0.006 0.000 1.151 389 T CB -0.270 68.583 68.868 -0.024 0.000 0.862 389 T HN 0.250 nan 8.240 nan 0.000 0.438 390 Q N 0.968 120.763 119.800 -0.008 0.000 2.112 390 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 390 Q C 2.121 178.110 176.000 -0.019 0.000 0.987 390 Q CA 1.553 57.349 55.803 -0.011 0.000 0.858 390 Q CB -0.680 28.053 28.738 -0.008 0.000 0.905 390 Q HN 0.558 nan 8.270 nan 0.000 0.420 391 L N -0.643 120.566 121.223 -0.024 0.000 2.017 391 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 391 L C 2.357 179.194 176.870 -0.054 0.000 1.073 391 L CA 1.285 56.096 54.840 -0.048 0.000 0.745 391 L CB -1.044 40.981 42.059 -0.058 0.000 0.894 391 L HN 0.146 nan 8.230 nan 0.000 0.432 392 V N 0.210 120.106 119.914 -0.031 0.000 2.317 392 V HA -0.325 3.795 4.120 -0.000 0.000 0.251 392 V C 2.608 178.688 176.094 -0.023 0.000 1.065 392 V CA 1.990 64.278 62.300 -0.021 0.000 1.049 392 V CB -0.840 30.991 31.823 0.013 0.000 0.651 392 V HN 0.456 nan 8.190 nan 0.000 0.450 393 R N -0.003 120.487 120.500 -0.018 0.000 2.148 393 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 393 R C 2.171 178.462 176.300 -0.016 0.000 1.088 393 R CA 1.088 57.180 56.100 -0.014 0.000 0.985 393 R CB -0.360 29.934 30.300 -0.010 0.000 0.880 393 R HN 0.518 nan 8.270 nan 0.000 0.451 394 N N 0.195 118.881 118.700 -0.023 0.000 2.244 394 N HA -0.040 4.700 4.740 -0.000 0.000 0.183 394 N C 0.866 176.367 175.510 -0.014 0.000 1.016 394 N CA 1.282 54.323 53.050 -0.016 0.000 0.866 394 N CB -0.144 38.332 38.487 -0.018 0.000 0.980 394 N HN 0.319 nan 8.380 nan 0.000 0.430 395 G N 0.349 109.124 108.800 -0.040 0.000 2.846 395 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.660 395 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.660 395 G C -2.075 172.811 174.900 -0.023 0.000 1.464 395 G CA -0.207 44.866 45.100 -0.046 0.000 0.891 395 G HN 0.094 nan 8.290 nan 0.000 0.552 396 P HA 0.012 nan 4.420 nan 0.000 0.239 396 P C 0.646 178.059 177.300 0.189 0.000 1.184 396 P CA 1.025 64.180 63.100 0.092 0.000 0.760 396 P CB -0.180 31.507 31.700 -0.021 0.000 0.884 397 N N -0.780 117.983 118.700 0.105 0.000 2.187 397 N HA 0.109 4.849 4.740 -0.000 0.000 0.212 397 N C -0.028 175.524 175.510 0.070 0.000 1.152 397 N CA -0.085 53.005 53.050 0.068 0.000 0.872 397 N CB 0.690 39.191 38.487 0.024 0.000 1.025 397 N HN 0.185 nan 8.380 nan 0.000 0.514 398 E N -0.716 119.551 120.200 0.112 0.000 2.256 398 E HA 0.122 4.472 4.350 -0.000 0.000 0.268 398 E C 0.035 176.733 176.600 0.164 0.000 0.877 398 E CA -0.504 55.956 56.400 0.099 0.000 0.757 398 E CB 1.112 30.847 29.700 0.058 0.000 1.183 398 E HN 0.147 nan 8.360 nan 0.000 0.418 399 H N 4.720 123.829 119.070 0.064 0.000 2.265 399 H HA -0.063 4.493 4.556 -0.000 0.000 0.293 399 H C -1.307 174.139 175.328 0.197 0.000 1.089 399 H CA 2.233 58.326 56.048 0.076 0.000 1.244 399 H CB -0.516 29.250 29.762 0.006 0.000 1.355 399 H HN 0.362 nan 8.280 nan 0.000 0.485 400 P HA 0.144 nan 4.420 nan 0.000 0.259 400 P C 0.288 177.500 177.300 -0.147 0.000 1.480 400 P CA 0.580 63.462 63.100 -0.362 0.000 0.842 400 P CB 0.020 31.614 31.700 -0.177 0.000 1.513 401 G N 0.065 108.850 108.800 -0.026 0.000 2.546 401 G HA2 0.606 4.566 3.960 -0.000 0.000 0.239 401 G HA3 0.606 4.566 3.960 -0.000 0.000 0.239 401 G C -0.637 173.961 174.900 -0.503 0.000 1.476 401 G CA -0.084 44.917 45.100 -0.165 0.000 1.064 401 G HN 0.322 nan 8.290 nan 0.000 0.561 402 A N -1.558 120.918 122.820 -0.574 0.000 2.612 402 A HA 0.754 5.074 4.320 -0.000 0.000 0.293 402 A C -1.082 176.290 177.584 -0.352 0.000 1.075 402 A CA -0.776 50.963 52.037 -0.498 0.000 0.680 402 A CB 1.565 20.452 19.000 -0.188 0.000 1.279 402 A HN 0.704 nan 8.150 nan 0.000 0.411 403 K N 0.295 120.569 120.400 -0.210 0.000 2.375 403 K HA 0.747 5.067 4.320 -0.000 0.000 0.249 403 K C -1.421 175.143 176.600 -0.060 0.000 0.942 403 K CA -0.790 55.378 56.287 -0.199 0.000 0.806 403 K CB 1.432 33.826 32.500 -0.178 0.000 1.227 403 K HN 0.744 nan 8.250 nan 0.000 0.430 404 Y N -1.140 119.147 120.300 -0.022 0.000 2.514 404 Y HA -0.247 4.303 4.550 -0.000 0.000 0.024 404 Y C -0.525 175.370 175.900 -0.008 0.000 1.708 404 Y CA -0.243 57.849 58.100 -0.013 0.000 1.414 404 Y CB -0.620 37.839 38.460 -0.002 0.000 2.059 404 Y HN 0.319 nan 8.280 nan 0.000 0.255 405 V N 4.500 124.510 119.914 0.160 0.000 2.610 405 V HA 0.460 4.580 4.120 -0.000 0.000 0.298 405 V C -0.192 175.887 176.094 -0.024 0.000 1.067 405 V CA -0.883 61.470 62.300 0.088 0.000 0.894 405 V CB 1.611 33.507 31.823 0.122 0.000 1.015 405 V HN 0.539 nan 8.190 nan 0.000 0.432 406 I N 4.001 124.542 120.570 -0.047 0.000 2.664 406 I HA 0.630 4.800 4.170 -0.000 0.000 0.308 406 I C 0.498 176.426 176.117 -0.315 0.000 0.984 406 I CA -0.520 60.691 61.300 -0.148 0.000 1.213 406 I CB 1.543 39.493 38.000 -0.082 0.000 1.379 406 I HN 0.568 nan 8.210 nan 0.000 0.501 407 R N 1.281 121.523 120.500 -0.430 0.000 3.236 407 R HA 0.313 4.653 4.340 -0.000 0.000 0.234 407 R C 0.403 176.548 176.300 -0.260 0.000 1.541 407 R CA -0.705 54.982 56.100 -0.688 0.000 1.038 407 R CB 0.344 30.067 30.300 -0.962 0.000 1.587 407 R HN 0.496 nan 8.270 nan 0.000 0.515 408 D N 0.271 120.576 120.400 -0.158 0.000 2.084 408 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 408 D C 1.737 178.018 176.300 -0.031 0.000 0.985 408 D CA 2.135 56.129 54.000 -0.011 0.000 0.826 408 D CB -0.227 40.613 40.800 0.065 0.000 0.978 408 D HN 0.430 nan 8.370 nan 0.000 0.456 409 S N -0.330 115.334 115.700 -0.060 0.000 2.335 409 S HA 0.048 4.518 4.470 -0.000 0.000 0.216 409 S C 1.824 176.396 174.600 -0.047 0.000 1.032 409 S CA 1.392 59.568 58.200 -0.041 0.000 1.000 409 S CB -0.210 62.962 63.200 -0.047 0.000 0.928 409 S HN 0.370 nan 8.310 nan 0.000 0.434 410 G N 0.897 109.645 108.800 -0.086 0.000 3.136 410 G HA2 0.057 4.016 3.960 -0.000 0.000 0.221 410 G HA3 0.057 4.016 3.960 -0.000 0.000 0.221 410 G C -0.753 174.092 174.900 -0.092 0.000 0.961 410 G CA -0.329 44.724 45.100 -0.078 0.000 0.983 410 G HN 0.383 nan 8.290 nan 0.000 0.648 411 D N 0.252 120.577 120.400 -0.125 0.000 2.357 411 D HA 0.426 5.066 4.640 -0.000 0.000 0.242 411 D C 0.335 176.563 176.300 -0.121 0.000 1.153 411 D CA 0.201 54.132 54.000 -0.116 0.000 0.918 411 D CB 1.262 41.983 40.800 -0.131 0.000 1.181 411 D HN 0.194 nan 8.370 nan 0.000 0.435 412 R N 1.668 122.132 120.500 -0.060 0.000 2.468 412 R HA 0.333 4.673 4.340 -0.000 0.000 0.302 412 R C -0.713 175.639 176.300 0.087 0.000 1.041 412 R CA -0.502 55.598 56.100 -0.000 0.000 0.899 412 R CB 0.417 30.704 30.300 -0.023 0.000 1.167 412 R HN 0.367 nan 8.270 nan 0.000 0.483 413 I N 3.606 124.218 120.570 0.069 0.000 2.260 413 I HA 0.040 4.210 4.170 -0.000 0.000 0.297 413 I C 0.247 176.428 176.117 0.107 0.000 1.143 413 I CA -0.304 61.039 61.300 0.072 0.000 1.271 413 I CB 0.381 38.392 38.000 0.017 0.000 1.461 413 I HN 0.411 nan 8.210 nan 0.000 0.530 414 D N 5.678 126.154 120.400 0.126 0.000 2.520 414 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 414 D C 0.909 177.134 176.300 -0.124 0.000 1.160 414 D CA 0.572 54.517 54.000 -0.092 0.000 0.877 414 D CB 1.139 41.929 40.800 -0.017 0.000 1.150 414 D HN 0.450 nan 8.370 nan 0.000 0.494 415 L N 4.349 125.427 121.223 -0.242 0.000 2.209 415 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 415 L C 2.579 179.373 176.870 -0.127 0.000 1.094 415 L CA 0.299 55.057 54.840 -0.137 0.000 0.790 415 L CB -0.171 41.807 42.059 -0.134 0.000 0.932 415 L HN 0.448 nan 8.230 nan 0.000 0.447 416 R N -0.224 120.140 120.500 -0.228 0.000 2.092 416 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 416 R C 0.516 176.777 176.300 -0.066 0.000 1.119 416 R CA 0.650 56.635 56.100 -0.192 0.000 0.970 416 R CB -0.698 29.424 30.300 -0.295 0.000 0.864 416 R HN 0.196 nan 8.270 nan 0.000 0.440 417 Y N 1.712 121.976 120.300 -0.061 0.000 2.295 417 Y HA 0.293 4.843 4.550 -0.000 0.000 0.331 417 Y C 1.284 177.168 175.900 -0.027 0.000 1.311 417 Y CA -0.725 57.355 58.100 -0.033 0.000 1.430 417 Y CB 0.566 39.012 38.460 -0.023 0.000 1.339 417 Y HN 0.273 nan 8.280 nan 0.000 0.552 418 S N 0.890 116.686 115.700 0.161 0.000 2.546 418 S HA 0.366 4.836 4.470 -0.000 0.000 0.290 418 S C 0.534 175.182 174.600 0.080 0.000 1.290 418 S CA 0.198 58.447 58.200 0.082 0.000 1.069 418 S CB 0.224 63.453 63.200 0.048 0.000 0.846 418 S HN 0.695 nan 8.310 nan 0.000 0.495 419 K N 1.909 122.342 120.400 0.055 0.000 3.860 419 K HA 0.826 5.146 4.320 -0.000 0.000 0.165 419 K C 1.025 177.657 176.600 0.053 0.000 1.146 419 K CA 1.016 57.334 56.287 0.052 0.000 1.673 419 K CB -0.827 31.697 32.500 0.040 0.000 2.306 419 K HN 1.516 nan 8.250 nan 0.000 0.504 420 R N -0.273 120.264 120.500 0.062 0.000 2.564 420 R HA 0.715 5.055 4.340 -0.000 0.000 0.282 420 R C 0.358 176.697 176.300 0.065 0.000 1.573 420 R CA 0.251 56.393 56.100 0.070 0.000 1.588 420 R CB -1.061 29.302 30.300 0.104 0.000 1.154 420 R HN 2.378 nan 8.270 nan 0.000 0.606 421 A N 0.039 122.886 122.820 0.045 0.000 2.435 421 A HA 0.340 4.660 4.320 -0.000 0.000 0.686 421 A C 1.611 179.211 177.584 0.027 0.000 0.138 421 A CA 0.756 52.812 52.037 0.033 0.000 0.025 421 A CB -1.440 17.580 19.000 0.033 0.000 3.974 421 A HN 2.579 nan 8.150 nan 0.000 0.548 422 G N 1.280 110.091 108.800 0.017 0.000 2.699 422 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.408 422 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.408 422 G C 1.377 176.281 174.900 0.008 0.000 1.112 422 G CA 2.865 47.971 45.100 0.010 0.000 0.885 422 G HN 2.666 nan 8.290 nan 0.000 0.690 423 D N -0.305 120.095 120.400 0.001 0.000 2.355 423 D HA 0.469 5.109 4.640 -0.000 0.000 0.218 423 D C 1.060 177.356 176.300 -0.007 0.000 1.004 423 D CA 0.906 54.902 54.000 -0.006 0.000 0.880 423 D CB -0.266 40.527 40.800 -0.013 0.000 0.911 423 D HN 1.340 nan 8.370 nan 0.000 0.528 424 I N -1.079 119.492 120.570 0.002 0.000 9.095 424 I HA -0.219 3.950 4.170 -0.000 0.000 0.126 424 I C -0.159 175.935 176.117 -0.037 0.000 1.859 424 I CA 0.429 61.734 61.300 0.007 0.000 2.052 424 I CB -0.198 37.816 38.000 0.024 0.000 3.938 424 I HN 0.379 nan 8.210 nan 0.000 0.174 425 Q N 5.587 125.345 119.800 -0.070 0.000 3.230 425 Q HA 0.427 4.767 4.340 -0.000 0.000 0.303 425 Q C -0.799 174.999 176.000 -0.338 0.000 0.884 425 Q CA -0.663 55.039 55.803 -0.168 0.000 0.859 425 Q CB 1.087 29.734 28.738 -0.152 0.000 1.432 425 Q HN 0.556 nan 8.270 nan 0.000 0.403 426 L N 2.203 123.250 121.223 -0.293 0.000 2.667 426 L HA -0.102 4.238 4.340 -0.000 0.000 0.278 426 L C 0.518 176.979 176.870 -0.682 0.000 1.217 426 L CA 0.957 55.549 54.840 -0.414 0.000 0.935 426 L CB 0.175 42.129 42.059 -0.175 0.000 1.193 426 L HN 0.233 nan 8.230 nan 0.000 0.493 427 Q N 3.566 122.646 119.800 -1.200 0.000 2.235 427 Q HA 0.298 4.638 4.340 -0.000 0.000 0.256 427 Q C -0.791 174.836 176.000 -0.621 0.000 0.951 427 Q CA -0.642 54.521 55.803 -1.066 0.000 0.890 427 Q CB 1.418 29.322 28.738 -1.390 0.000 1.279 427 Q HN 0.369 nan 8.270 nan 0.000 0.444 428 Y N -0.136 119.991 120.300 -0.288 0.000 2.620 428 Y HA 0.170 4.720 4.550 -0.000 0.000 0.330 428 Y C 1.606 177.496 175.900 -0.015 0.000 1.186 428 Y CA 1.019 59.044 58.100 -0.125 0.000 1.467 428 Y CB 0.487 38.885 38.460 -0.104 0.000 1.262 428 Y HN 0.961 nan 8.280 nan 0.000 0.550 429 G N 1.370 110.310 108.800 0.234 0.000 2.308 429 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 429 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 429 G C -0.028 175.053 174.900 0.300 0.000 1.032 429 G CA -0.411 44.821 45.100 0.219 0.000 0.623 429 G HN 0.577 nan 8.290 nan 0.000 0.506 430 W N 1.727 123.056 121.300 0.049 0.000 2.275 430 W HA 0.497 5.157 4.660 -0.000 0.000 0.353 430 W C 1.021 177.558 176.519 0.030 0.000 1.277 430 W CA 0.409 57.773 57.345 0.032 0.000 1.347 430 W CB 0.200 29.673 29.460 0.023 0.000 1.220 430 W HN 0.202 nan 8.180 nan 0.000 0.613 431 K N 0.621 121.139 120.400 0.196 0.000 2.324 431 K HA 0.527 4.847 4.320 -0.000 0.000 0.253 431 K C -1.376 175.292 176.600 0.114 0.000 0.932 431 K CA -0.994 55.363 56.287 0.116 0.000 0.799 431 K CB 2.205 34.725 32.500 0.032 0.000 1.154 431 K HN 0.036 nan 8.250 nan 0.000 0.425 432 V N 3.096 123.076 119.914 0.109 0.000 2.275 432 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 432 V C -0.107 176.034 176.094 0.080 0.000 1.028 432 V CA -0.812 61.548 62.300 0.101 0.000 0.810 432 V CB 0.762 32.645 31.823 0.101 0.000 1.043 432 V HN 0.710 nan 8.190 nan 0.000 0.453 433 E N 5.257 125.506 120.200 0.081 0.000 2.463 433 E HA 0.049 4.399 4.350 -0.000 0.000 0.248 433 E C 0.179 176.824 176.600 0.075 0.000 1.106 433 E CA 0.095 56.550 56.400 0.091 0.000 0.946 433 E CB 0.350 30.148 29.700 0.163 0.000 0.971 433 E HN 0.697 nan 8.360 nan 0.000 0.478 434 R N 2.040 122.595 120.500 0.091 0.000 2.664 434 R HA 0.392 4.732 4.340 -0.000 0.000 0.286 434 R C -0.106 176.258 176.300 0.108 0.000 0.967 434 R CA -0.948 55.171 56.100 0.030 0.000 0.933 434 R CB 0.870 31.200 30.300 0.049 0.000 1.146 434 R HN 0.317 nan 8.270 nan 0.000 0.468 435 H N 1.740 120.847 119.070 0.062 0.000 3.016 435 H HA -0.008 4.548 4.556 -0.000 0.000 0.345 435 H C 0.569 175.957 175.328 0.099 0.000 1.066 435 H CA -0.077 56.020 56.048 0.082 0.000 1.390 435 H CB 0.474 30.258 29.762 0.037 0.000 1.344 435 H HN 0.385 nan 8.280 nan 0.000 0.605 436 I N 4.107 124.846 120.570 0.281 0.000 2.752 436 I HA -0.127 4.043 4.170 -0.000 0.000 0.286 436 I C 1.151 177.412 176.117 0.240 0.000 1.180 436 I CA 0.785 62.204 61.300 0.199 0.000 1.404 436 I CB -1.009 37.090 38.000 0.165 0.000 1.389 436 I HN 0.382 nan 8.210 nan 0.000 0.549 437 M N 4.147 123.831 119.600 0.140 0.000 2.527 437 M HA 0.298 4.778 4.480 -0.000 0.000 0.283 437 M C 0.069 176.438 176.300 0.114 0.000 1.188 437 M CA -0.936 54.450 55.300 0.142 0.000 0.941 437 M CB 0.728 33.353 32.600 0.042 0.000 1.498 437 M HN 0.324 nan 8.290 nan 0.000 0.510 438 D N 1.029 121.496 120.400 0.111 0.000 2.382 438 D HA 0.091 4.731 4.640 -0.000 0.000 0.240 438 D C 0.310 176.623 176.300 0.022 0.000 1.146 438 D CA 0.749 54.786 54.000 0.062 0.000 0.897 438 D CB 0.238 41.073 40.800 0.059 0.000 1.197 438 D HN 0.548 nan 8.370 nan 0.000 0.432 439 N N -0.079 118.627 118.700 0.011 0.000 2.900 439 N HA -0.184 4.556 4.740 -0.000 0.000 0.240 439 N C -1.012 174.485 175.510 -0.022 0.000 0.953 439 N CA 0.814 53.861 53.050 -0.004 0.000 0.950 439 N CB -1.075 37.408 38.487 -0.007 0.000 1.102 439 N HN 0.441 nan 8.380 nan 0.000 0.593 440 D N 1.312 121.695 120.400 -0.028 0.000 2.455 440 D HA 0.119 4.759 4.640 -0.000 0.000 0.241 440 D C -2.083 174.196 176.300 -0.034 0.000 1.138 440 D CA -0.648 53.314 54.000 -0.063 0.000 0.877 440 D CB 0.486 41.246 40.800 -0.067 0.000 1.187 440 D HN 0.193 nan 8.370 nan 0.000 0.451 441 P HA 0.071 nan 4.420 nan 0.000 0.276 441 P C -0.765 176.553 177.300 0.030 0.000 1.235 441 P CA -0.358 62.741 63.100 -0.002 0.000 0.772 441 P CB 0.784 32.479 31.700 -0.009 0.000 0.871 442 V N 1.628 121.581 119.914 0.065 0.000 2.841 442 V HA 0.452 4.572 4.120 -0.000 0.000 0.310 442 V C -0.581 175.606 176.094 0.155 0.000 1.090 442 V CA -1.201 61.158 62.300 0.099 0.000 0.930 442 V CB 2.211 34.073 31.823 0.064 0.000 1.014 442 V HN 0.355 nan 8.190 nan 0.000 0.425 443 L N 4.376 125.715 121.223 0.192 0.000 2.283 443 L HA 0.539 4.878 4.340 -0.000 0.000 0.287 443 L C -1.079 175.986 176.870 0.326 0.000 1.073 443 L CA -0.345 54.639 54.840 0.240 0.000 0.822 443 L CB 0.807 42.980 42.059 0.189 0.000 1.186 443 L HN 0.795 nan 8.230 nan 0.000 0.436 444 F N 6.554 126.567 119.950 0.106 0.000 2.443 444 F HA 0.485 5.012 4.527 -0.000 0.000 0.335 444 F C -0.171 175.607 175.800 -0.037 0.000 1.104 444 F CA -0.918 57.037 58.000 -0.076 0.000 1.013 444 F CB 1.229 40.107 39.000 -0.202 0.000 1.136 444 F HN 0.542 nan 8.300 nan 0.000 0.470 445 N N 5.205 123.602 118.700 -0.506 0.000 2.396 445 N HA 0.358 5.098 4.740 -0.000 0.000 0.275 445 N C -2.016 173.157 175.510 -0.561 0.000 1.218 445 N CA -0.789 52.025 53.050 -0.392 0.000 0.812 445 N CB 2.473 40.949 38.487 -0.018 0.000 1.592 445 N HN 0.800 nan 8.380 nan 0.000 0.480 446 R N 1.464 121.769 120.500 -0.326 0.000 2.437 446 R HA 0.289 4.629 4.340 -0.000 0.000 0.310 446 R C -0.768 175.497 176.300 -0.059 0.000 0.955 446 R CA -0.360 55.612 56.100 -0.213 0.000 0.851 446 R CB 1.375 31.569 30.300 -0.176 0.000 1.161 446 R HN 0.637 nan 8.270 nan 0.000 0.446 447 Q N 3.775 123.543 119.800 -0.054 0.000 2.260 447 Q HA 0.346 4.686 4.340 -0.000 0.000 0.242 447 Q C -1.997 173.989 176.000 -0.023 0.000 0.932 447 Q CA -1.882 53.907 55.803 -0.023 0.000 0.891 447 Q CB 1.127 29.857 28.738 -0.013 0.000 1.222 447 Q HN 0.459 nan 8.270 nan 0.000 0.453 448 P HA 0.034 nan 4.420 nan 0.000 0.271 448 P C -0.997 176.289 177.300 -0.024 0.000 1.216 448 P CA -0.170 62.916 63.100 -0.023 0.000 0.771 448 P CB 0.767 32.449 31.700 -0.031 0.000 0.864 449 S N 2.722 118.414 115.700 -0.014 0.000 3.729 449 S HA 0.177 4.647 4.470 -0.000 0.000 0.235 449 S C 0.707 175.293 174.600 -0.025 0.000 1.367 449 S CA -0.498 57.702 58.200 -0.001 0.000 0.907 449 S CB -0.761 62.447 63.200 0.012 0.000 1.471 449 S HN 0.307 nan 8.310 nan 0.000 0.476 450 L N 0.255 121.434 121.223 -0.074 0.000 2.984 450 L HA 0.581 4.921 4.340 -0.000 0.000 0.246 450 L C 0.158 176.932 176.870 -0.160 0.000 1.268 450 L CA -0.060 54.697 54.840 -0.139 0.000 1.054 450 L CB -1.163 40.775 42.059 -0.202 0.000 1.393 450 L HN 0.506 nan 8.230 nan 0.000 0.532 451 H N -1.485 117.549 119.070 -0.060 0.000 2.948 451 H HA 0.339 4.895 4.556 -0.000 0.000 0.315 451 H C -0.053 175.233 175.328 -0.071 0.000 1.360 451 H CA -0.868 55.133 56.048 -0.077 0.000 1.125 451 H CB 1.874 31.584 29.762 -0.086 0.000 1.844 451 H HN -0.103 nan 8.280 nan 0.000 0.529 452 K N 0.445 120.860 120.400 0.026 0.000 2.314 452 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 452 K C 1.387 177.943 176.600 -0.074 0.000 1.045 452 K CA 0.883 57.144 56.287 -0.042 0.000 0.988 452 K CB 0.237 32.683 32.500 -0.091 0.000 0.783 452 K HN 0.334 nan 8.250 nan 0.000 0.484 453 M N 0.317 119.828 119.600 -0.148 0.000 2.319 453 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 453 M C 1.816 178.004 176.300 -0.188 0.000 1.068 453 M CA 1.341 56.492 55.300 -0.250 0.000 1.118 453 M CB 0.073 32.429 32.600 -0.406 0.000 1.395 453 M HN -0.131 nan 8.290 nan 0.000 0.435 454 S N -0.399 115.326 115.700 0.040 0.000 2.507 454 S HA 0.119 4.589 4.470 -0.000 0.000 0.235 454 S C 0.764 175.526 174.600 0.270 0.000 0.988 454 S CA 0.773 59.079 58.200 0.177 0.000 0.944 454 S CB -0.156 63.125 63.200 0.135 0.000 0.762 454 S HN 0.391 nan 8.310 nan 0.000 0.526 455 M N 1.868 121.569 119.600 0.168 0.000 1.987 455 M HA 0.423 4.903 4.480 -0.000 0.000 0.298 455 M C -1.289 175.111 176.300 0.167 0.000 0.892 455 M CA 0.318 55.722 55.300 0.174 0.000 0.885 455 M CB 1.051 33.696 32.600 0.076 0.000 1.469 455 M HN 0.092 nan 8.290 nan 0.000 0.389 456 M N 1.743 121.530 119.600 0.312 0.000 2.395 456 M HA 0.616 5.096 4.480 -0.000 0.000 0.307 456 M C -0.092 176.322 176.300 0.189 0.000 1.091 456 M CA -0.734 54.669 55.300 0.173 0.000 0.919 456 M CB 2.402 35.030 32.600 0.047 0.000 1.662 456 M HN 0.608 nan 8.290 nan 0.000 0.440 457 A N 2.791 125.637 122.820 0.043 0.000 2.450 457 A HA 0.381 4.701 4.320 -0.000 0.000 0.255 457 A C -0.681 176.863 177.584 -0.067 0.000 1.096 457 A CA 0.131 52.199 52.037 0.051 0.000 0.778 457 A CB 0.027 19.037 19.000 0.017 0.000 1.031 457 A HN 0.845 nan 8.150 nan 0.000 0.494 458 H N 1.370 120.464 119.070 0.041 0.000 2.731 458 H HA 0.344 4.900 4.556 -0.000 0.000 0.368 458 H C -0.353 174.956 175.328 -0.031 0.000 1.168 458 H CA -0.739 55.307 56.048 -0.004 0.000 1.181 458 H CB 1.465 31.192 29.762 -0.057 0.000 1.743 458 H HN 0.713 nan 8.280 nan 0.000 0.547 459 R N 0.955 121.510 120.500 0.091 0.000 2.389 459 R HA 0.228 4.568 4.340 -0.000 0.000 0.295 459 R C -0.283 176.029 176.300 0.021 0.000 1.075 459 R CA -0.475 55.648 56.100 0.038 0.000 1.005 459 R CB 0.729 31.043 30.300 0.024 0.000 0.987 459 R HN 0.185 nan 8.270 nan 0.000 0.452 460 V N 3.727 123.642 119.914 0.002 0.000 2.686 460 V HA 0.138 4.258 4.120 -0.000 0.000 0.295 460 V C 0.409 176.499 176.094 -0.006 0.000 1.055 460 V CA 0.125 62.417 62.300 -0.014 0.000 1.050 460 V CB 1.130 32.956 31.823 0.005 0.000 0.984 460 V HN 0.549 nan 8.190 nan 0.000 0.482 461 K N 3.436 123.824 120.400 -0.021 0.000 2.637 461 K HA 0.361 4.681 4.320 -0.000 0.000 0.248 461 K C -1.375 175.204 176.600 -0.036 0.000 0.971 461 K CA -0.459 55.820 56.287 -0.014 0.000 0.858 461 K CB 1.872 34.365 32.500 -0.012 0.000 1.170 461 K HN 0.433 nan 8.250 nan 0.000 0.443 462 V N 6.328 126.212 119.914 -0.050 0.000 2.439 462 V HA 0.308 4.428 4.120 -0.000 0.000 0.271 462 V C 0.668 176.681 176.094 -0.134 0.000 1.040 462 V CA -0.404 61.807 62.300 -0.148 0.000 1.002 462 V CB -0.178 31.445 31.823 -0.332 0.000 1.000 462 V HN 0.570 nan 8.190 nan 0.000 0.477 463 I N 4.234 124.733 120.570 -0.118 0.000 3.108 463 I HA 0.808 4.978 4.170 -0.000 0.000 0.312 463 I C -2.589 173.478 176.117 -0.083 0.000 1.095 463 I CA -2.637 58.626 61.300 -0.063 0.000 1.000 463 I CB 2.190 40.186 38.000 -0.007 0.000 1.229 463 I HN 0.332 nan 8.210 nan 0.000 0.454 464 P HA 0.348 nan 4.420 nan 0.000 0.282 464 P C -1.323 175.955 177.300 -0.037 0.000 1.287 464 P CA -0.050 62.943 63.100 -0.179 0.000 0.792 464 P CB 0.329 31.829 31.700 -0.333 0.000 1.163 465 Y N -2.871 117.380 120.300 -0.080 0.000 2.502 465 Y HA -0.212 4.338 4.550 -0.000 0.000 0.036 465 Y C 0.884 176.718 175.900 -0.111 0.000 1.697 465 Y CA 0.832 58.882 58.100 -0.084 0.000 1.422 465 Y CB -2.176 36.241 38.460 -0.072 0.000 2.067 465 Y HN 0.369 nan 8.280 nan 0.000 0.253 466 S N -1.265 114.461 115.700 0.043 0.000 2.484 466 S HA 0.456 4.926 4.470 -0.000 0.000 0.242 466 S C -0.324 174.198 174.600 -0.130 0.000 1.158 466 S CA -0.030 58.122 58.200 -0.079 0.000 1.162 466 S CB -0.025 63.125 63.200 -0.083 0.000 0.850 466 S HN 0.812 nan 8.310 nan 0.000 0.477 467 T N -0.985 113.508 114.554 -0.102 0.000 2.861 467 T HA 0.635 4.985 4.350 -0.000 0.000 0.287 467 T C -0.469 174.183 174.700 -0.081 0.000 1.003 467 T CA -0.748 61.292 62.100 -0.100 0.000 0.977 467 T CB 0.650 69.493 68.868 -0.041 0.000 0.996 467 T HN 0.221 nan 8.240 nan 0.000 0.448 468 F N 2.314 122.249 119.950 -0.025 0.000 2.502 468 F HA 0.284 4.811 4.527 -0.000 0.000 0.371 468 F C 1.497 177.249 175.800 -0.079 0.000 1.083 468 F CA -0.682 57.275 58.000 -0.072 0.000 1.174 468 F CB 0.579 39.598 39.000 0.031 0.000 1.096 468 F HN 0.270 nan 8.300 nan 0.000 0.545 469 R N 5.299 125.842 120.500 0.072 0.000 2.338 469 R HA 0.590 4.929 4.340 -0.000 0.000 0.317 469 R C -1.182 175.082 176.300 -0.060 0.000 0.968 469 R CA -0.969 55.115 56.100 -0.026 0.000 0.849 469 R CB 1.443 31.709 30.300 -0.057 0.000 1.128 469 R HN 0.501 nan 8.270 nan 0.000 0.448 470 L N -0.296 120.928 121.223 0.002 0.000 2.354 470 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 470 L C -0.148 176.790 176.870 0.114 0.000 1.008 470 L CA -1.126 53.743 54.840 0.049 0.000 0.819 470 L CB 1.100 43.255 42.059 0.160 0.000 1.339 470 L HN 0.354 nan 8.230 nan 0.000 0.420 471 N N 0.892 119.664 118.700 0.122 0.000 2.492 471 N HA 0.131 4.870 4.740 -0.000 0.000 0.260 471 N C 0.643 176.260 175.510 0.179 0.000 1.215 471 N CA 0.088 53.212 53.050 0.122 0.000 0.923 471 N CB 1.132 39.674 38.487 0.091 0.000 1.092 471 N HN 0.839 nan 8.380 nan 0.000 0.448 472 L N 2.176 123.505 121.223 0.178 0.000 2.093 472 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 472 L C 2.288 179.244 176.870 0.143 0.000 1.085 472 L CA 0.951 55.919 54.840 0.214 0.000 0.755 472 L CB -0.404 41.775 42.059 0.200 0.000 0.904 472 L HN 0.516 nan 8.230 nan 0.000 0.435 473 S N -1.052 114.711 115.700 0.105 0.000 2.493 473 S HA -0.108 4.362 4.470 -0.000 0.000 0.243 473 S C 1.676 176.255 174.600 -0.035 0.000 0.991 473 S CA 0.723 58.953 58.200 0.050 0.000 0.957 473 S CB -0.129 63.092 63.200 0.035 0.000 0.756 473 S HN 0.226 nan 8.310 nan 0.000 0.521 474 V N 1.021 120.956 119.914 0.035 0.000 3.649 474 V HA 0.026 4.146 4.120 -0.000 0.000 0.275 474 V C 1.960 178.133 176.094 0.133 0.000 1.281 474 V CA 0.856 63.198 62.300 0.070 0.000 1.143 474 V CB -0.346 31.642 31.823 0.276 0.000 0.892 474 V HN 0.436 nan 8.190 nan 0.000 0.441 475 T N 0.479 115.098 114.554 0.108 0.000 2.701 475 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 475 T C 2.086 176.802 174.700 0.025 0.000 1.040 475 T CA 2.062 64.210 62.100 0.079 0.000 1.147 475 T CB -0.090 68.785 68.868 0.011 0.000 0.865 475 T HN 0.757 nan 8.240 nan 0.000 0.426 476 S N 1.481 117.176 115.700 -0.008 0.000 2.402 476 S HA -0.003 4.467 4.470 -0.000 0.000 0.229 476 S C -0.735 173.839 174.600 -0.044 0.000 1.021 476 S CA 0.550 58.737 58.200 -0.021 0.000 0.974 476 S CB -1.489 61.704 63.200 -0.012 0.000 0.800 476 S HN 0.426 nan 8.310 nan 0.000 0.484 477 P HA 0.053 nan 4.420 nan 0.000 0.222 477 P C 0.566 177.725 177.300 -0.236 0.000 1.153 477 P CA 0.866 63.825 63.100 -0.235 0.000 0.798 477 P CB -0.221 31.224 31.700 -0.424 0.000 0.796 478 Y N -1.874 118.429 120.300 0.004 0.000 2.511 478 Y HA 0.150 4.699 4.550 -0.000 0.000 0.279 478 Y C 0.838 176.715 175.900 -0.038 0.000 1.157 478 Y CA -0.272 57.812 58.100 -0.028 0.000 1.300 478 Y CB -0.496 37.920 38.460 -0.075 0.000 1.052 478 Y HN -0.110 nan 8.280 nan 0.000 0.529 479 N N 0.928 119.670 118.700 0.070 0.000 2.705 479 N HA -0.191 4.549 4.740 -0.000 0.000 0.255 479 N C -0.818 174.687 175.510 -0.007 0.000 1.008 479 N CA 0.676 53.736 53.050 0.017 0.000 0.742 479 N CB -0.911 37.577 38.487 0.002 0.000 0.906 479 N HN 0.414 nan 8.380 nan 0.000 0.541 480 A N 0.597 123.405 122.820 -0.020 0.000 2.330 480 A HA 0.727 5.047 4.320 -0.000 0.000 0.329 480 A C -0.074 177.362 177.584 -0.246 0.000 1.135 480 A CA 0.012 51.991 52.037 -0.097 0.000 0.817 480 A CB 1.171 20.134 19.000 -0.062 0.000 1.269 480 A HN 0.576 nan 8.150 nan 0.000 0.469 481 D N -1.767 118.444 120.400 -0.314 0.000 2.610 481 D HA 0.519 5.159 4.640 -0.000 0.000 0.271 481 D C -0.858 175.154 176.300 -0.480 0.000 1.174 481 D CA -0.521 53.150 54.000 -0.548 0.000 0.949 481 D CB 0.553 41.182 40.800 -0.284 0.000 1.430 481 D HN 0.246 nan 8.370 nan 0.000 0.467 482 F N -0.051 119.914 119.950 0.025 0.000 2.819 482 F HA 0.174 4.701 4.527 -0.000 0.000 0.294 482 F C 1.149 176.957 175.800 0.013 0.000 1.166 482 F CA -0.703 57.310 58.000 0.022 0.000 1.374 482 F CB 0.174 39.187 39.000 0.023 0.000 0.956 482 F HN 0.334 nan 8.300 nan 0.000 0.509 483 D N -0.007 120.446 120.400 0.088 0.000 2.363 483 D HA 0.047 4.687 4.640 -0.000 0.000 0.226 483 D C 1.586 177.921 176.300 0.059 0.000 1.020 483 D CA 0.897 54.934 54.000 0.061 0.000 0.892 483 D CB 0.254 41.065 40.800 0.019 0.000 0.900 483 D HN 0.393 nan 8.370 nan 0.000 0.531 484 G N -0.050 108.799 108.800 0.081 0.000 2.240 484 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.181 484 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.181 484 G C -0.711 174.226 174.900 0.060 0.000 1.028 484 G CA -0.470 44.669 45.100 0.065 0.000 0.760 484 G HN 0.212 nan 8.290 nan 0.000 0.508 485 D N 1.557 121.999 120.400 0.070 0.000 2.425 485 D HA 0.392 5.032 4.640 -0.000 0.000 0.247 485 D C 0.726 177.070 176.300 0.074 0.000 1.147 485 D CA 0.592 54.620 54.000 0.047 0.000 0.879 485 D CB 0.836 41.647 40.800 0.019 0.000 1.179 485 D HN 0.510 nan 8.370 nan 0.000 0.456 486 E N 1.665 121.894 120.200 0.048 0.000 2.227 486 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 486 E C -0.072 176.549 176.600 0.034 0.000 0.990 486 E CA -0.692 55.750 56.400 0.069 0.000 0.856 486 E CB 1.849 31.580 29.700 0.051 0.000 1.159 486 E HN 0.298 nan 8.360 nan 0.000 0.401 487 M N 1.368 121.017 119.600 0.081 0.000 2.531 487 M HA 0.328 4.808 4.480 -0.000 0.000 0.286 487 M C -1.059 175.250 176.300 0.015 0.000 1.232 487 M CA -1.006 54.239 55.300 -0.091 0.000 0.877 487 M CB 2.266 34.653 32.600 -0.355 0.000 1.726 487 M HN 0.377 nan 8.290 nan 0.000 0.463 488 N N 1.570 120.191 118.700 -0.132 0.000 2.515 488 N HA 0.678 5.418 4.740 -0.000 0.000 0.279 488 N C -1.423 174.053 175.510 -0.058 0.000 1.164 488 N CA -0.383 52.638 53.050 -0.049 0.000 0.982 488 N CB 1.406 39.877 38.487 -0.026 0.000 1.170 488 N HN 0.471 nan 8.380 nan 0.000 0.474 489 L N 1.698 122.882 121.223 -0.066 0.000 2.408 489 L HA 0.435 4.775 4.340 -0.000 0.000 0.268 489 L C -1.229 175.479 176.870 -0.270 0.000 0.986 489 L CA -0.452 54.379 54.840 -0.014 0.000 0.820 489 L CB 1.270 43.400 42.059 0.118 0.000 1.303 489 L HN 0.535 nan 8.230 nan 0.000 0.411 490 H N 3.994 123.154 119.070 0.150 0.000 2.600 490 H HA 0.575 5.131 4.556 -0.000 0.000 0.357 490 H C -1.216 174.200 175.328 0.147 0.000 1.106 490 H CA -0.757 55.383 56.048 0.153 0.000 1.193 490 H CB 2.356 32.193 29.762 0.125 0.000 1.594 490 H HN 0.369 nan 8.280 nan 0.000 0.526 491 V N 5.115 125.186 119.914 0.263 0.000 2.370 491 V HA 0.184 4.304 4.120 -0.000 0.000 0.283 491 V C -1.935 174.246 176.094 0.145 0.000 1.023 491 V CA -1.697 60.714 62.300 0.185 0.000 0.857 491 V CB 1.421 33.345 31.823 0.168 0.000 0.985 491 V HN 0.611 nan 8.190 nan 0.000 0.443 492 P HA 0.100 nan 4.420 nan 0.000 0.268 492 P C -0.371 177.004 177.300 0.125 0.000 1.204 492 P CA 0.047 63.219 63.100 0.120 0.000 0.768 492 P CB 1.497 33.270 31.700 0.123 0.000 0.842 493 Q N 0.857 120.657 119.800 0.000 0.000 2.402 493 Q HA 0.172 4.512 4.340 -0.000 0.000 0.231 493 Q C 0.688 176.577 176.000 -0.185 0.000 0.888 493 Q CA 0.787 56.468 55.803 -0.203 0.000 0.938 493 Q CB 0.272 28.829 28.738 -0.303 0.000 1.086 493 Q HN 0.393 nan 8.270 nan 0.000 0.543 494 S N -0.270 115.420 115.700 -0.017 0.000 2.687 494 S HA 0.146 4.616 4.470 -0.000 0.000 0.283 494 S C 0.672 175.345 174.600 0.121 0.000 1.170 494 S CA -0.437 57.766 58.200 0.005 0.000 1.008 494 S CB 1.340 64.543 63.200 0.006 0.000 1.026 494 S HN 0.166 nan 8.310 nan 0.000 0.541 495 E N 1.368 121.636 120.200 0.113 0.000 2.150 495 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 495 E C 1.373 178.029 176.600 0.092 0.000 0.985 495 E CA 1.581 58.066 56.400 0.141 0.000 0.814 495 E CB 0.008 29.778 29.700 0.116 0.000 0.752 495 E HN 0.696 nan 8.360 nan 0.000 0.466 496 E N -0.969 119.271 120.200 0.067 0.000 2.072 496 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 496 E C 1.991 178.623 176.600 0.052 0.000 0.982 496 E CA 1.503 57.935 56.400 0.053 0.000 0.803 496 E CB -0.209 29.515 29.700 0.040 0.000 0.755 496 E HN 0.144 nan 8.360 nan 0.000 0.453 497 T N 1.293 115.879 114.554 0.054 0.000 2.803 497 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 497 T C 1.751 176.489 174.700 0.063 0.000 1.052 497 T CA 1.172 63.304 62.100 0.053 0.000 1.136 497 T CB -0.141 68.759 68.868 0.054 0.000 0.864 497 T HN 0.133 nan 8.240 nan 0.000 0.467 498 R N 1.218 121.767 120.500 0.082 0.000 2.061 498 R HA 0.072 4.412 4.340 -0.000 0.000 0.230 498 R C 2.959 179.281 176.300 0.037 0.000 1.140 498 R CA 1.283 57.418 56.100 0.059 0.000 0.940 498 R CB -0.710 29.617 30.300 0.045 0.000 0.839 498 R HN 0.357 nan 8.270 nan 0.000 0.429 499 A N 1.204 124.048 122.820 0.039 0.000 1.997 499 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 499 A C 1.960 179.561 177.584 0.029 0.000 1.172 499 A CA 1.806 53.862 52.037 0.031 0.000 0.645 499 A CB -0.446 18.577 19.000 0.039 0.000 0.813 499 A HN 0.437 nan 8.150 nan 0.000 0.454 500 E N -0.812 119.408 120.200 0.032 0.000 2.299 500 E HA 0.039 4.389 4.350 -0.000 0.000 0.193 500 E C 1.776 178.387 176.600 0.019 0.000 0.998 500 E CA 0.307 56.723 56.400 0.027 0.000 0.851 500 E CB -0.048 29.668 29.700 0.027 0.000 0.795 500 E HN 0.692 nan 8.360 nan 0.000 0.492 501 L N 0.059 121.295 121.223 0.022 0.000 2.127 501 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 501 L C 2.480 179.352 176.870 0.004 0.000 1.080 501 L CA 1.042 55.893 54.840 0.018 0.000 0.768 501 L CB -0.238 41.842 42.059 0.034 0.000 0.924 501 L HN 0.137 nan 8.230 nan 0.000 0.444 502 S N -1.546 114.156 115.700 0.003 0.000 2.527 502 S HA -0.070 4.400 4.470 -0.000 0.000 0.222 502 S C 1.737 176.331 174.600 -0.010 0.000 0.985 502 S CA 0.308 58.503 58.200 -0.008 0.000 0.921 502 S CB 0.167 63.362 63.200 -0.008 0.000 0.772 502 S HN 0.262 nan 8.310 nan 0.000 0.529 503 Q N -0.486 119.312 119.800 -0.002 0.000 2.392 503 Q HA 0.482 4.822 4.340 -0.000 0.000 0.219 503 Q C 1.222 177.216 176.000 -0.010 0.000 0.895 503 Q CA 0.346 56.148 55.803 -0.001 0.000 0.929 503 Q CB 0.277 29.023 28.738 0.013 0.000 1.077 503 Q HN 0.418 nan 8.270 nan 0.000 0.532 504 L N -2.218 118.997 121.223 -0.013 0.000 2.641 504 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 504 L C 1.036 177.882 176.870 -0.039 0.000 1.049 504 L CA 0.842 55.667 54.840 -0.024 0.000 0.866 504 L CB -0.062 41.990 42.059 -0.012 0.000 1.264 504 L HN 0.090 nan 8.230 nan 0.000 0.483 505 C N 0.370 119.652 119.300 -0.031 0.000 2.855 505 C HA 0.641 5.101 4.460 -0.000 0.000 0.279 505 C C 1.238 176.195 174.990 -0.055 0.000 1.270 505 C CA -1.001 57.995 59.018 -0.037 0.000 1.702 505 C CB -1.305 26.429 27.740 -0.009 0.000 1.949 505 C HN 0.331 nan 8.230 nan 0.000 0.618 506 A N 1.072 123.854 122.820 -0.064 0.000 2.462 506 A HA 0.398 4.718 4.320 -0.000 0.000 0.243 506 A C 1.381 178.880 177.584 -0.141 0.000 1.076 506 A CA 0.092 52.072 52.037 -0.096 0.000 0.773 506 A CB 0.387 19.344 19.000 -0.071 0.000 1.010 506 A HN 0.243 nan 8.150 nan 0.000 0.493 507 V N 3.281 123.062 119.914 -0.223 0.000 2.324 507 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 507 V C -0.390 175.595 176.094 -0.183 0.000 1.060 507 V CA 2.584 64.736 62.300 -0.247 0.000 1.042 507 V CB -1.796 29.809 31.823 -0.363 0.000 0.650 507 V HN 0.796 nan 8.190 nan 0.000 0.450 508 P HA -0.183 nan 4.420 nan 0.000 0.215 508 P C 1.832 179.079 177.300 -0.089 0.000 1.163 508 P CA 1.549 64.592 63.100 -0.096 0.000 0.894 508 P CB -0.175 31.491 31.700 -0.056 0.000 0.791 509 L N -1.246 119.924 121.223 -0.088 0.000 2.450 509 L HA -0.152 4.188 4.340 -0.000 0.000 0.224 509 L C 2.046 178.849 176.870 -0.111 0.000 1.149 509 L CA 1.125 55.914 54.840 -0.084 0.000 0.816 509 L CB -0.775 41.239 42.059 -0.075 0.000 0.932 509 L HN 0.014 nan 8.230 nan 0.000 0.449 510 Q N -0.656 119.063 119.800 -0.134 0.000 2.319 510 Q HA 0.180 4.520 4.340 -0.000 0.000 0.202 510 Q C 2.108 178.008 176.000 -0.167 0.000 0.896 510 Q CA 0.236 55.944 55.803 -0.159 0.000 0.942 510 Q CB 0.517 29.146 28.738 -0.181 0.000 1.083 510 Q HN 0.545 nan 8.270 nan 0.000 0.510 511 I N -0.040 120.446 120.570 -0.140 0.000 2.091 511 I HA -0.211 3.959 4.170 -0.000 0.000 0.239 511 I C 0.800 176.840 176.117 -0.128 0.000 1.061 511 I CA 1.078 62.312 61.300 -0.111 0.000 1.317 511 I CB 0.054 38.040 38.000 -0.023 0.000 1.031 511 I HN -0.139 nan 8.210 nan 0.000 0.401 512 V N 2.390 122.204 119.914 -0.166 0.000 2.353 512 V HA 0.093 4.213 4.120 -0.000 0.000 0.264 512 V C 0.383 176.359 176.094 -0.196 0.000 1.049 512 V CA -0.410 61.753 62.300 -0.230 0.000 0.896 512 V CB 0.614 32.240 31.823 -0.328 0.000 1.025 512 V HN 0.380 nan 8.190 nan 0.000 0.475 513 S N 7.628 123.227 115.700 -0.169 0.000 2.565 513 S HA 0.373 4.843 4.470 -0.000 0.000 0.274 513 S C -1.115 173.424 174.600 -0.103 0.000 1.309 513 S CA -1.075 57.030 58.200 -0.158 0.000 1.043 513 S CB 1.473 64.560 63.200 -0.189 0.000 0.939 513 S HN 0.573 nan 8.310 nan 0.000 0.504 514 P HA -0.108 nan 4.420 nan 0.000 0.229 514 P C 1.234 178.605 177.300 0.117 0.000 1.160 514 P CA 0.866 63.976 63.100 0.016 0.000 0.777 514 P CB -0.018 31.711 31.700 0.048 0.000 0.814 515 Q N 1.011 120.820 119.800 0.016 0.000 2.123 515 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 515 Q C 1.455 177.462 176.000 0.012 0.000 0.966 515 Q CA 1.789 57.574 55.803 -0.030 0.000 0.845 515 Q CB -0.661 27.968 28.738 -0.182 0.000 0.907 515 Q HN 0.197 nan 8.270 nan 0.000 0.439 516 S N 0.289 116.002 115.700 0.022 0.000 2.664 516 S HA 0.149 4.619 4.470 -0.000 0.000 0.245 516 S C 0.044 174.760 174.600 0.194 0.000 1.019 516 S CA -0.135 58.116 58.200 0.085 0.000 0.996 516 S CB -0.429 62.832 63.200 0.101 0.000 0.878 516 S HN 0.656 nan 8.310 nan 0.000 0.493 517 N N 1.787 120.576 118.700 0.148 0.000 2.608 517 N HA -0.331 4.409 4.740 -0.000 0.000 0.246 517 N C -0.266 175.349 175.510 0.175 0.000 1.162 517 N CA 2.007 55.150 53.050 0.155 0.000 0.736 517 N CB -1.853 36.764 38.487 0.218 0.000 1.078 517 N HN 0.923 nan 8.380 nan 0.000 0.554 518 K N -2.855 117.610 120.400 0.109 0.000 2.378 518 K HA 0.670 4.990 4.320 -0.000 0.000 0.244 518 K C -3.105 173.440 176.600 -0.092 0.000 1.039 518 K CA -2.291 54.040 56.287 0.074 0.000 0.863 518 K CB 1.971 34.566 32.500 0.158 0.000 1.326 518 K HN -0.132 nan 8.250 nan 0.000 0.460 519 P HA 0.002 nan 4.420 nan 0.000 0.272 519 P C 0.602 177.870 177.300 -0.054 0.000 1.223 519 P CA -0.473 62.554 63.100 -0.123 0.000 0.784 519 P CB 0.652 32.310 31.700 -0.071 0.000 0.923 520 C N 0.433 119.689 119.300 -0.074 0.000 3.070 520 C HA 0.474 4.934 4.460 -0.000 0.000 0.280 520 C C 0.675 175.634 174.990 -0.051 0.000 1.264 520 C CA -0.334 58.636 59.018 -0.079 0.000 1.690 520 C CB -1.120 26.526 27.740 -0.157 0.000 2.049 520 C HN 0.366 nan 8.230 nan 0.000 0.636 521 M N 1.480 121.075 119.600 -0.008 0.000 2.321 521 M HA 0.628 5.108 4.480 -0.000 0.000 0.315 521 M C 0.358 176.789 176.300 0.218 0.000 1.052 521 M CA 0.277 55.599 55.300 0.037 0.000 0.936 521 M CB 2.162 34.703 32.600 -0.099 0.000 1.639 521 M HN 0.414 nan 8.290 nan 0.000 0.433 522 G N 2.819 111.749 108.800 0.217 0.000 3.247 522 G HA2 0.790 4.750 3.960 -0.000 0.000 0.199 522 G HA3 0.790 4.750 3.960 -0.000 0.000 0.199 522 G C -1.081 173.978 174.900 0.265 0.000 1.172 522 G CA -0.604 44.636 45.100 0.234 0.000 0.844 522 G HN 0.592 nan 8.290 nan 0.000 0.619 523 I N 1.332 121.974 120.570 0.121 0.000 2.389 523 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 523 I C -0.397 175.757 176.117 0.062 0.000 0.999 523 I CA -0.514 60.845 61.300 0.098 0.000 1.129 523 I CB 1.511 39.521 38.000 0.016 0.000 1.288 523 I HN 0.066 nan 8.210 nan 0.000 0.444 524 V N 4.790 124.746 119.914 0.071 0.000 3.182 524 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 524 V C 0.357 176.475 176.094 0.039 0.000 1.221 524 V CA -0.642 61.687 62.300 0.048 0.000 1.060 524 V CB 1.388 33.242 31.823 0.052 0.000 1.164 524 V HN 0.859 nan 8.190 nan 0.000 0.466 525 Q N 0.027 119.847 119.800 0.033 0.000 2.046 525 Q HA -0.344 3.996 4.340 -0.000 0.000 0.437 525 Q C 1.182 177.184 176.000 0.003 0.000 0.778 525 Q CA 1.993 57.814 55.803 0.030 0.000 0.836 525 Q CB -1.512 27.259 28.738 0.056 0.000 3.591 525 Q HN 0.937 nan 8.270 nan 0.000 0.849 526 D N 0.362 120.768 120.400 0.010 0.000 2.204 526 D HA -0.158 4.482 4.640 -0.000 0.000 0.189 526 D C 1.948 178.230 176.300 -0.030 0.000 1.006 526 D CA 2.623 56.612 54.000 -0.017 0.000 0.855 526 D CB -0.745 40.055 40.800 0.000 0.000 0.946 526 D HN 0.626 nan 8.370 nan 0.000 0.448 527 T N 0.517 115.067 114.554 -0.005 0.000 2.778 527 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 527 T C 1.826 176.509 174.700 -0.027 0.000 1.050 527 T CA 0.968 63.064 62.100 -0.006 0.000 1.137 527 T CB -0.252 68.628 68.868 0.020 0.000 0.860 527 T HN 0.046 nan 8.240 nan 0.000 0.468 528 L N 0.800 122.006 121.223 -0.030 0.000 2.130 528 L HA 0.204 4.544 4.340 -0.000 0.000 0.200 528 L C 2.713 179.536 176.870 -0.078 0.000 1.075 528 L CA 1.247 56.061 54.840 -0.044 0.000 0.768 528 L CB -1.241 40.804 42.059 -0.023 0.000 0.933 528 L HN 0.453 nan 8.230 nan 0.000 0.451 529 C N 0.097 119.333 119.300 -0.106 0.000 2.411 529 C HA -0.033 4.427 4.460 -0.000 0.000 0.279 529 C C 2.632 177.491 174.990 -0.219 0.000 1.288 529 C CA 0.882 59.781 59.018 -0.199 0.000 1.764 529 C CB -1.752 25.808 27.740 -0.301 0.000 1.974 529 C HN 0.646 nan 8.230 nan 0.000 0.498 530 G N -0.335 108.383 108.800 -0.137 0.000 2.603 530 G HA2 0.032 3.992 3.960 -0.000 0.000 0.214 530 G HA3 0.032 3.992 3.960 -0.000 0.000 0.214 530 G C 1.552 176.423 174.900 -0.047 0.000 1.140 530 G CA 0.655 45.740 45.100 -0.025 0.000 0.800 530 G HN 0.624 nan 8.290 nan 0.000 0.533 531 I N -0.275 120.238 120.570 -0.095 0.000 2.500 531 I HA 0.049 4.219 4.170 -0.000 0.000 0.252 531 I C 2.693 178.705 176.117 -0.174 0.000 1.142 531 I CA 0.501 61.715 61.300 -0.144 0.000 1.451 531 I CB 0.003 37.936 38.000 -0.111 0.000 1.093 531 I HN 0.110 nan 8.210 nan 0.000 0.430 532 R N 1.118 121.536 120.500 -0.137 0.000 2.062 532 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 532 R C 2.252 178.466 176.300 -0.144 0.000 1.136 532 R CA 1.409 57.434 56.100 -0.124 0.000 0.948 532 R CB -0.108 30.137 30.300 -0.091 0.000 0.845 532 R HN 0.271 nan 8.270 nan 0.000 0.430 533 K N 0.576 120.902 120.400 -0.122 0.000 2.044 533 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 533 K C 2.161 178.581 176.600 -0.301 0.000 1.049 533 K CA 1.555 57.798 56.287 -0.072 0.000 0.927 533 K CB -0.414 32.166 32.500 0.135 0.000 0.713 533 K HN 0.155 nan 8.250 nan 0.000 0.443 534 L N 1.467 122.286 121.223 -0.672 0.000 2.079 534 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 534 L C 2.049 178.558 176.870 -0.601 0.000 1.081 534 L CA 1.852 56.004 54.840 -1.147 0.000 0.752 534 L CB -0.568 40.795 42.059 -1.160 0.000 0.896 534 L HN 0.112 nan 8.230 nan 0.000 0.433 535 T N 0.213 114.539 114.554 -0.381 0.000 2.737 535 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 535 T C 0.923 175.487 174.700 -0.226 0.000 1.038 535 T CA 0.396 62.337 62.100 -0.264 0.000 1.144 535 T CB -0.471 68.285 68.868 -0.188 0.000 0.866 535 T HN 0.197 nan 8.240 nan 0.000 0.434 536 L N 2.143 123.255 121.223 -0.185 0.000 2.781 536 L HA -0.155 4.185 4.340 -0.000 0.000 0.308 536 L C 1.849 178.599 176.870 -0.200 0.000 1.240 536 L CA 0.051 54.807 54.840 -0.139 0.000 0.873 536 L CB 0.215 42.222 42.059 -0.087 0.000 1.144 536 L HN 0.201 nan 8.230 nan 0.000 0.505 537 R N 1.473 121.879 120.500 -0.156 0.000 2.139 537 R HA -0.195 4.145 4.340 -0.000 0.000 0.243 537 R C 1.403 177.507 176.300 -0.328 0.000 1.145 537 R CA 1.544 57.520 56.100 -0.207 0.000 0.976 537 R CB -0.229 30.032 30.300 -0.065 0.000 0.866 537 R HN 0.704 nan 8.270 nan 0.000 0.449 538 D N 0.412 120.726 120.400 -0.143 0.000 2.263 538 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 538 D C -0.104 176.141 176.300 -0.092 0.000 0.971 538 D CA 0.846 54.845 54.000 -0.002 0.000 0.867 538 D CB 0.099 40.938 40.800 0.065 0.000 0.929 538 D HN 0.069 nan 8.370 nan 0.000 0.492 539 T N 0.819 115.187 114.554 -0.310 0.000 2.729 539 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 539 T C -0.276 174.161 174.700 -0.439 0.000 0.928 539 T CA -0.105 61.867 62.100 -0.213 0.000 1.045 539 T CB 0.114 68.862 68.868 -0.201 0.000 0.902 539 T HN -0.157 nan 8.240 nan 0.000 0.500 540 F N 2.842 122.864 119.950 0.120 0.000 2.556 540 F HA 0.651 5.178 4.527 -0.000 0.000 0.314 540 F C -0.227 175.693 175.800 0.200 0.000 1.106 540 F CA -1.222 56.862 58.000 0.139 0.000 0.911 540 F CB 1.415 40.486 39.000 0.119 0.000 1.190 540 F HN 0.297 nan 8.300 nan 0.000 0.448 541 I N 1.470 122.286 120.570 0.409 0.000 2.740 541 I HA 0.417 4.587 4.170 -0.000 0.000 0.303 541 I C -0.683 175.666 176.117 0.386 0.000 1.044 541 I CA -0.699 60.811 61.300 0.350 0.000 1.064 541 I CB 2.115 40.283 38.000 0.279 0.000 1.249 541 I HN 0.614 nan 8.210 nan 0.000 0.433 542 E N 4.082 124.453 120.200 0.285 0.000 2.263 542 E HA 0.443 4.793 4.350 -0.000 0.000 0.264 542 E C 0.415 177.101 176.600 0.144 0.000 0.923 542 E CA -0.857 55.729 56.400 0.310 0.000 0.802 542 E CB 1.636 31.480 29.700 0.240 0.000 1.228 542 E HN 0.333 nan 8.360 nan 0.000 0.417 543 L N 2.209 123.545 121.223 0.188 0.000 2.252 543 L HA -0.442 3.898 4.340 -0.000 0.000 0.246 543 L C 2.031 178.855 176.870 -0.076 0.000 1.123 543 L CA 3.091 57.927 54.840 -0.006 0.000 0.844 543 L CB -1.003 41.138 42.059 0.136 0.000 0.970 543 L HN 1.038 nan 8.230 nan 0.000 0.440 544 D N -1.397 119.007 120.400 0.007 0.000 2.204 544 D HA -0.344 4.296 4.640 -0.000 0.000 0.189 544 D C 1.882 178.195 176.300 0.021 0.000 1.006 544 D CA 2.471 56.477 54.000 0.011 0.000 0.855 544 D CB -0.742 40.075 40.800 0.028 0.000 0.946 544 D HN 0.735 nan 8.370 nan 0.000 0.448 545 Q N -0.043 119.787 119.800 0.050 0.000 2.297 545 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 545 Q C 2.565 178.608 176.000 0.073 0.000 0.962 545 Q CA 0.442 56.330 55.803 0.142 0.000 0.879 545 Q CB 0.352 29.189 28.738 0.165 0.000 0.947 545 Q HN 0.289 nan 8.270 nan 0.000 0.462 546 V N 0.848 120.684 119.914 -0.130 0.000 2.283 546 V HA -0.264 3.856 4.120 -0.000 0.000 0.243 546 V C 2.263 178.147 176.094 -0.350 0.000 1.039 546 V CA 1.296 63.384 62.300 -0.353 0.000 1.016 546 V CB -0.629 30.645 31.823 -0.915 0.000 0.650 546 V HN 0.345 nan 8.190 nan 0.000 0.449 547 L N 0.347 121.385 121.223 -0.308 0.000 1.978 547 L HA -0.259 4.081 4.340 -0.000 0.000 0.218 547 L C 2.603 179.342 176.870 -0.220 0.000 1.075 547 L CA 2.035 56.715 54.840 -0.266 0.000 0.767 547 L CB -1.122 40.849 42.059 -0.147 0.000 0.890 547 L HN 0.382 nan 8.230 nan 0.000 0.434 548 N N 0.003 118.661 118.700 -0.071 0.000 2.037 548 N HA -0.234 4.506 4.740 -0.000 0.000 0.196 548 N C 1.896 177.373 175.510 -0.055 0.000 1.034 548 N CA 1.718 54.758 53.050 -0.018 0.000 0.861 548 N CB -0.345 38.198 38.487 0.093 0.000 1.039 548 N HN 0.341 nan 8.380 nan 0.000 0.427 549 M N 0.354 119.932 119.600 -0.037 0.000 2.159 549 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 549 M C 1.999 178.198 176.300 -0.167 0.000 1.063 549 M CA 1.098 56.385 55.300 -0.023 0.000 1.110 549 M CB -0.160 32.478 32.600 0.063 0.000 1.374 549 M HN 0.101 nan 8.290 nan 0.000 0.411 550 L N -1.663 119.299 121.223 -0.437 0.000 1.994 550 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 550 L C 2.523 178.916 176.870 -0.795 0.000 1.071 550 L CA 1.290 55.553 54.840 -0.963 0.000 0.745 550 L CB -0.949 40.122 42.059 -1.648 0.000 0.892 550 L HN 0.246 nan 8.230 nan 0.000 0.431 551 Y N -0.735 119.147 120.300 -0.696 0.000 2.333 551 Y HA -0.260 4.290 4.550 -0.000 0.000 0.290 551 Y C 2.099 177.857 175.900 -0.236 0.000 1.144 551 Y CA 0.787 58.682 58.100 -0.342 0.000 1.228 551 Y CB -0.574 37.711 38.460 -0.292 0.000 0.985 551 Y HN 0.116 nan 8.280 nan 0.000 0.542 552 W N -0.239 120.863 121.300 -0.330 0.000 2.425 552 W HA 0.007 4.667 4.660 -0.000 0.000 0.277 552 W C 0.538 176.922 176.519 -0.225 0.000 1.231 552 W CA 0.759 57.887 57.345 -0.360 0.000 1.248 552 W CB -0.093 29.125 29.460 -0.403 0.000 1.117 552 W HN -0.372 nan 8.180 nan 0.000 0.568 553 V N 3.993 123.951 119.914 0.074 0.000 2.439 553 V HA -0.047 4.073 4.120 -0.000 0.000 0.271 553 V C -0.781 175.378 176.094 0.108 0.000 1.040 553 V CA -0.888 61.471 62.300 0.098 0.000 1.002 553 V CB 0.677 32.560 31.823 0.099 0.000 1.000 553 V HN -0.093 nan 8.190 nan 0.000 0.477 554 P HA -0.139 nan 4.420 nan 0.000 0.215 554 P C 0.725 178.092 177.300 0.111 0.000 1.153 554 P CA 1.238 64.364 63.100 0.044 0.000 0.853 554 P CB 0.354 32.075 31.700 0.034 0.000 0.788 555 D N -1.762 118.715 120.400 0.128 0.000 2.324 555 D HA -0.025 4.615 4.640 -0.000 0.000 0.235 555 D C 0.336 176.743 176.300 0.179 0.000 1.095 555 D CA -0.133 53.940 54.000 0.121 0.000 0.871 555 D CB -0.422 40.432 40.800 0.089 0.000 0.906 555 D HN 0.176 nan 8.370 nan 0.000 0.522 556 W N 3.589 124.910 121.300 0.035 0.000 2.264 556 W HA -0.052 4.608 4.660 -0.000 0.000 0.331 556 W C 1.200 177.744 176.519 0.042 0.000 1.364 556 W CA -0.689 56.683 57.345 0.045 0.000 1.253 556 W CB 0.613 30.115 29.460 0.069 0.000 1.215 556 W HN -0.027 nan 8.180 nan 0.000 0.561 557 D N 3.261 123.381 120.400 -0.468 0.000 2.349 557 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 557 D C 1.595 177.440 176.300 -0.759 0.000 1.029 557 D CA 0.712 54.435 54.000 -0.462 0.000 0.879 557 D CB -0.377 40.276 40.800 -0.245 0.000 0.906 557 D HN 0.782 nan 8.370 nan 0.000 0.528 558 G N -0.121 107.690 108.800 -1.647 0.000 2.179 558 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 558 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 558 G C 0.194 174.473 174.900 -1.035 0.000 0.977 558 G CA 0.290 44.414 45.100 -1.625 0.000 0.641 558 G HN 0.387 nan 8.290 nan 0.000 0.533 559 V N 2.489 121.981 119.914 -0.703 0.000 2.318 559 V HA 0.448 4.568 4.120 -0.000 0.000 0.271 559 V C 0.934 177.161 176.094 0.220 0.000 1.030 559 V CA -0.751 61.466 62.300 -0.139 0.000 0.844 559 V CB 1.054 32.827 31.823 -0.083 0.000 1.015 559 V HN 0.347 nan 8.190 nan 0.000 0.460 560 I N 8.583 129.374 120.570 0.368 0.000 2.662 560 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 560 I C -1.488 174.856 176.117 0.378 0.000 1.161 560 I CA -0.990 60.586 61.300 0.459 0.000 1.415 560 I CB 0.154 38.376 38.000 0.369 0.000 1.385 560 I HN 0.432 nan 8.210 nan 0.000 0.552 561 P HA 0.109 nan 4.420 nan 0.000 0.275 561 P C -0.460 177.114 177.300 0.457 0.000 1.228 561 P CA -0.400 62.925 63.100 0.373 0.000 0.786 561 P CB 0.441 32.354 31.700 0.355 0.000 0.927 562 T N 4.073 118.761 114.554 0.222 0.000 2.888 562 T HA 0.220 4.570 4.350 -0.000 0.000 0.301 562 T C -2.081 172.535 174.700 -0.140 0.000 1.001 562 T CA -0.649 61.489 62.100 0.063 0.000 1.147 562 T CB -0.544 68.336 68.868 0.019 0.000 0.931 562 T HN 0.361 nan 8.240 nan 0.000 0.541 563 P HA 0.251 nan 4.420 nan 0.000 0.271 563 P C 0.346 177.369 177.300 -0.460 0.000 1.218 563 P CA -0.407 62.018 63.100 -1.125 0.000 0.780 563 P CB 0.436 31.181 31.700 -1.592 0.000 0.901 564 A N 3.095 125.747 122.820 -0.279 0.000 2.178 564 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 564 A C 0.883 178.413 177.584 -0.089 0.000 1.157 564 A CA 1.174 53.160 52.037 -0.084 0.000 0.689 564 A CB -0.798 18.230 19.000 0.047 0.000 0.787 564 A HN 0.549 nan 8.150 nan 0.000 0.465 565 I N -0.643 119.822 120.570 -0.175 0.000 2.500 565 I HA 0.301 4.470 4.170 -0.000 0.000 0.286 565 I C -0.155 175.836 176.117 -0.210 0.000 1.063 565 I CA -0.305 60.901 61.300 -0.156 0.000 1.062 565 I CB 2.108 40.019 38.000 -0.149 0.000 1.223 565 I HN 0.098 nan 8.210 nan 0.000 0.435 566 I N 5.395 125.872 120.570 -0.154 0.000 4.082 566 I HA 0.076 4.246 4.170 -0.000 0.000 0.337 566 I C 1.397 177.458 176.117 -0.093 0.000 1.352 566 I CA -0.261 60.955 61.300 -0.140 0.000 1.097 566 I CB -0.244 37.688 38.000 -0.114 0.000 1.048 566 I HN 0.505 nan 8.210 nan 0.000 0.393 567 K N 2.491 122.840 120.400 -0.085 0.000 2.990 567 K HA 0.070 4.390 4.320 -0.000 0.000 0.348 567 K C -1.113 175.456 176.600 -0.053 0.000 1.055 567 K CA -0.193 56.056 56.287 -0.063 0.000 1.075 567 K CB -1.942 30.519 32.500 -0.065 0.000 0.940 567 K HN -0.212 nan 8.250 nan 0.000 0.452 568 P HA -0.194 nan 4.420 nan 0.000 0.218 568 P C -0.333 176.949 177.300 -0.030 0.000 1.150 568 P CA 1.641 64.721 63.100 -0.034 0.000 0.841 568 P CB 0.136 31.815 31.700 -0.035 0.000 0.784 569 K N -0.663 119.711 120.400 -0.044 0.000 2.581 569 K HA 0.271 4.591 4.320 -0.000 0.000 0.249 569 K C -2.892 173.679 176.600 -0.048 0.000 0.966 569 K CA -2.317 53.955 56.287 -0.026 0.000 0.811 569 K CB 2.242 34.736 32.500 -0.011 0.000 1.223 569 K HN -0.230 nan 8.250 nan 0.000 0.438 570 P HA 0.033 nan 4.420 nan 0.000 0.263 570 P C -1.012 176.240 177.300 -0.080 0.000 1.276 570 P CA -0.234 62.784 63.100 -0.138 0.000 0.986 570 P CB 0.208 31.858 31.700 -0.084 0.000 1.105 571 L N 4.458 125.602 121.223 -0.130 0.000 2.334 571 L HA 0.519 4.859 4.340 -0.000 0.000 0.276 571 L C 0.199 177.114 176.870 0.075 0.000 1.014 571 L CA -0.378 54.530 54.840 0.114 0.000 0.815 571 L CB 1.124 43.224 42.059 0.068 0.000 1.268 571 L HN 0.353 nan 8.230 nan 0.000 0.428 572 W N 1.003 122.410 121.300 0.178 0.000 2.509 572 W HA 0.553 5.213 4.660 -0.000 0.000 0.351 572 W C 0.371 177.016 176.519 0.210 0.000 1.107 572 W CA -0.693 56.751 57.345 0.165 0.000 1.264 572 W CB 2.087 31.611 29.460 0.106 0.000 1.312 572 W HN 0.545 nan 8.180 nan 0.000 0.608 573 S N -0.243 115.647 115.700 0.316 0.000 2.693 573 S HA 0.429 4.899 4.470 -0.000 0.000 0.276 573 S C 1.021 175.605 174.600 -0.028 0.000 1.192 573 S CA 0.038 58.260 58.200 0.035 0.000 0.994 573 S CB 1.498 64.652 63.200 -0.077 0.000 1.012 573 S HN 0.617 nan 8.310 nan 0.000 0.550 574 G N 1.039 109.717 108.800 -0.203 0.000 2.440 574 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 574 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 574 G C 1.265 176.046 174.900 -0.197 0.000 1.154 574 G CA 0.644 45.574 45.100 -0.283 0.000 0.767 574 G HN 0.797 nan 8.290 nan 0.000 0.552 575 K N 0.033 120.339 120.400 -0.157 0.000 2.097 575 K HA -0.091 4.228 4.320 -0.000 0.000 0.206 575 K C 2.628 179.200 176.600 -0.046 0.000 1.049 575 K CA 1.131 57.354 56.287 -0.107 0.000 0.933 575 K CB -0.213 32.236 32.500 -0.085 0.000 0.717 575 K HN 0.341 nan 8.250 nan 0.000 0.442 576 Q N 0.691 120.496 119.800 0.009 0.000 2.030 576 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 576 Q C 2.339 178.389 176.000 0.083 0.000 0.986 576 Q CA 1.914 57.771 55.803 0.090 0.000 0.843 576 Q CB -0.218 28.645 28.738 0.209 0.000 0.904 576 Q HN 0.511 nan 8.270 nan 0.000 0.420 577 I N -2.101 118.498 120.570 0.048 0.000 2.716 577 I HA -0.091 4.079 4.170 -0.000 0.000 0.259 577 I C 2.145 178.245 176.117 -0.029 0.000 1.172 577 I CA 0.488 61.788 61.300 0.000 0.000 1.478 577 I CB -0.262 37.705 38.000 -0.055 0.000 1.104 577 I HN 0.054 nan 8.210 nan 0.000 0.439 578 L N 1.074 122.261 121.223 -0.060 0.000 2.362 578 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 578 L C 2.134 178.978 176.870 -0.043 0.000 1.134 578 L CA 1.334 56.131 54.840 -0.071 0.000 0.807 578 L CB -0.330 41.658 42.059 -0.118 0.000 0.927 578 L HN 0.163 nan 8.230 nan 0.000 0.447 579 S N -1.686 114.004 115.700 -0.017 0.000 2.527 579 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 579 S C 1.806 176.423 174.600 0.027 0.000 0.985 579 S CA 0.788 58.987 58.200 -0.002 0.000 0.921 579 S CB -0.044 63.165 63.200 0.015 0.000 0.772 579 S HN 0.331 nan 8.310 nan 0.000 0.529 580 V N 1.878 121.819 119.914 0.045 0.000 2.358 580 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 580 V C 2.611 178.748 176.094 0.072 0.000 1.047 580 V CA 1.725 64.078 62.300 0.089 0.000 1.035 580 V CB -1.065 30.811 31.823 0.088 0.000 0.658 580 V HN 0.536 nan 8.190 nan 0.000 0.452 581 A N -0.397 122.441 122.820 0.030 0.000 2.066 581 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 581 A C 1.194 178.777 177.584 -0.001 0.000 1.157 581 A CA 0.586 52.635 52.037 0.020 0.000 0.670 581 A CB -0.506 18.492 19.000 -0.003 0.000 0.804 581 A HN 0.529 nan 8.150 nan 0.000 0.453 582 I N 2.409 122.971 120.570 -0.014 0.000 2.337 582 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 582 I C -2.075 174.030 176.117 -0.019 0.000 1.046 582 I CA -2.134 59.146 61.300 -0.034 0.000 1.324 582 I CB 1.073 39.040 38.000 -0.055 0.000 1.409 582 I HN 0.107 nan 8.210 nan 0.000 0.494 583 P HA 0.054 nan 4.420 nan 0.000 0.272 583 P C -0.920 176.357 177.300 -0.038 0.000 1.230 583 P CA -0.372 62.719 63.100 -0.014 0.000 0.788 583 P CB 0.450 32.142 31.700 -0.013 0.000 0.949 584 N N 0.060 118.744 118.700 -0.027 0.000 2.453 584 N HA 0.245 4.985 4.740 -0.000 0.000 0.253 584 N C 1.428 176.891 175.510 -0.078 0.000 1.252 584 N CA 0.863 53.886 53.050 -0.044 0.000 0.917 584 N CB -0.433 38.045 38.487 -0.015 0.000 1.117 584 N HN 0.793 nan 8.380 nan 0.000 0.442 585 G N -0.291 108.429 108.800 -0.134 0.000 2.136 585 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 585 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 585 G C -0.349 174.310 174.900 -0.402 0.000 0.989 585 G CA -0.290 44.704 45.100 -0.177 0.000 0.682 585 G HN 0.450 nan 8.290 nan 0.000 0.522 586 I N 1.712 121.980 120.570 -0.503 0.000 2.377 586 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 586 I C -0.111 175.630 176.117 -0.627 0.000 0.987 586 I CA -0.912 60.133 61.300 -0.424 0.000 1.185 586 I CB 1.308 39.193 38.000 -0.191 0.000 1.341 586 I HN 0.109 nan 8.210 nan 0.000 0.455 587 H N 6.463 125.533 119.070 -0.000 0.000 2.689 587 H HA 0.548 5.103 4.556 -0.000 0.000 0.346 587 H C -1.258 174.060 175.328 -0.017 0.000 1.037 587 H CA -0.721 55.323 56.048 -0.007 0.000 1.234 587 H CB 2.954 32.724 29.762 0.013 0.000 1.572 587 H HN 0.326 nan 8.280 nan 0.000 0.524 588 L N 2.630 123.892 121.223 0.065 0.000 2.438 588 L HA 0.304 4.644 4.340 -0.000 0.000 0.270 588 L C -0.901 175.950 176.870 -0.032 0.000 0.972 588 L CA -0.227 54.615 54.840 0.004 0.000 0.831 588 L CB 2.082 44.113 42.059 -0.047 0.000 1.273 588 L HN 0.564 nan 8.230 nan 0.000 0.405 589 Q N 3.740 123.545 119.800 0.008 0.000 2.333 589 Q HA 0.492 4.832 4.340 -0.000 0.000 0.267 589 Q C -0.396 175.638 176.000 0.057 0.000 1.012 589 Q CA -0.511 55.309 55.803 0.028 0.000 0.824 589 Q CB 3.225 32.066 28.738 0.171 0.000 1.290 589 Q HN 0.709 nan 8.270 nan 0.000 0.449 590 R N 1.734 122.224 120.500 -0.017 0.000 1.963 590 R HA 0.312 4.652 4.340 -0.000 0.000 0.144 590 R C -0.832 175.606 176.300 0.230 0.000 2.032 590 R CA 0.186 56.301 56.100 0.026 0.000 1.626 590 R CB 0.681 30.925 30.300 -0.092 0.000 1.334 590 R HN 0.589 nan 8.270 nan 0.000 0.480 591 F N 1.838 121.826 119.950 0.064 0.000 2.278 591 F HA -0.209 4.318 4.527 -0.000 0.000 0.475 591 F C -0.315 175.510 175.800 0.042 0.000 1.224 591 F CA 0.149 58.196 58.000 0.077 0.000 1.526 591 F CB -1.086 37.953 39.000 0.064 0.000 2.372 591 F HN 0.357 nan 8.300 nan 0.000 0.748 592 D N 1.703 122.190 120.400 0.145 0.000 2.233 592 D HA 0.080 4.720 4.640 -0.000 0.000 0.281 592 D C 1.604 177.963 176.300 0.098 0.000 1.175 592 D CA 0.015 54.071 54.000 0.092 0.000 1.034 592 D CB 0.223 41.052 40.800 0.050 0.000 1.133 592 D HN 0.553 nan 8.370 nan 0.000 0.519 593 E N 0.067 120.302 120.200 0.059 0.000 2.000 593 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 593 E C 1.202 177.838 176.600 0.059 0.000 1.011 593 E CA 1.034 57.462 56.400 0.047 0.000 0.836 593 E CB -0.292 29.423 29.700 0.025 0.000 0.778 593 E HN 0.411 nan 8.360 nan 0.000 0.462 594 G N 1.519 110.349 108.800 0.049 0.000 4.178 594 G HA2 0.147 4.107 3.960 -0.000 0.000 0.287 594 G HA3 0.147 4.107 3.960 -0.000 0.000 0.287 594 G C -0.551 174.378 174.900 0.049 0.000 1.293 594 G CA -0.291 44.836 45.100 0.044 0.000 1.393 594 G HN -0.023 nan 8.290 nan 0.000 0.623 595 T N 0.892 115.510 114.554 0.107 0.000 2.845 595 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 595 T C 0.259 175.074 174.700 0.192 0.000 0.980 595 T CA -0.153 62.011 62.100 0.108 0.000 1.071 595 T CB 1.479 70.433 68.868 0.142 0.000 0.941 595 T HN 0.153 nan 8.240 nan 0.000 0.487 596 T N 1.947 116.526 114.554 0.042 0.000 3.905 596 T HA 0.250 4.600 4.350 -0.000 0.000 0.227 596 T C 0.468 175.151 174.700 -0.028 0.000 1.055 596 T CA -0.790 61.366 62.100 0.093 0.000 1.607 596 T CB -0.528 68.359 68.868 0.030 0.000 0.781 596 T HN 0.499 nan 8.240 nan 0.000 0.639 597 L N 0.417 121.619 121.223 -0.034 0.000 4.132 597 L HA -0.206 4.134 4.340 -0.000 0.000 0.451 597 L C 0.837 177.515 176.870 -0.320 0.000 1.099 597 L CA 1.089 55.847 54.840 -0.138 0.000 0.977 597 L CB -1.243 40.882 42.059 0.109 0.000 1.852 597 L HN 0.698 nan 8.230 nan 0.000 1.069 598 L N -1.175 119.764 121.223 -0.473 0.000 4.269 598 L HA 0.073 4.413 4.340 -0.000 0.000 0.423 598 L C 0.785 177.437 176.870 -0.362 0.000 1.158 598 L CA 0.465 55.094 54.840 -0.352 0.000 1.472 598 L CB 0.426 42.386 42.059 -0.165 0.000 1.521 598 L HN 0.334 nan 8.230 nan 0.000 0.603 599 S N 1.008 116.400 115.700 -0.512 0.000 4.120 599 S HA -0.099 4.371 4.470 -0.000 0.000 0.435 599 S C -1.049 173.446 174.600 -0.175 0.000 0.694 599 S CA -0.189 57.818 58.200 -0.322 0.000 1.628 599 S CB -0.657 62.328 63.200 -0.359 0.000 1.391 599 S HN 0.359 nan 8.310 nan 0.000 0.490 600 P HA -0.117 nan 4.420 nan 0.000 0.218 600 P C 0.673 177.950 177.300 -0.038 0.000 1.149 600 P CA 1.216 64.278 63.100 -0.062 0.000 0.817 600 P CB 0.058 31.733 31.700 -0.042 0.000 0.785 601 K N -0.572 119.808 120.400 -0.033 0.000 2.458 601 K HA 0.020 4.340 4.320 -0.000 0.000 0.194 601 K C 0.170 176.766 176.600 -0.007 0.000 1.024 601 K CA 0.004 56.284 56.287 -0.013 0.000 1.108 601 K CB -0.398 32.100 32.500 -0.004 0.000 0.846 601 K HN -0.091 nan 8.250 nan 0.000 0.518 602 D N 1.320 121.712 120.400 -0.013 0.000 2.772 602 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 602 D C -0.524 175.808 176.300 0.054 0.000 1.143 602 D CA 0.490 54.502 54.000 0.019 0.000 0.700 602 D CB -1.111 39.693 40.800 0.007 0.000 1.076 602 D HN 0.183 nan 8.370 nan 0.000 0.430 603 N N -0.354 118.374 118.700 0.046 0.000 2.327 603 N HA 0.532 5.272 4.740 -0.000 0.000 0.257 603 N C 1.433 177.020 175.510 0.130 0.000 1.281 603 N CA 0.865 53.950 53.050 0.059 0.000 0.942 603 N CB 0.054 38.560 38.487 0.031 0.000 1.199 603 N HN 0.439 nan 8.380 nan 0.000 0.532 604 G N -0.090 108.743 108.800 0.056 0.000 2.581 604 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.291 604 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.291 604 G C -0.370 174.461 174.900 -0.115 0.000 1.277 604 G CA 0.915 46.008 45.100 -0.013 0.000 0.959 604 G HN 0.702 nan 8.290 nan 0.000 0.554 605 M N -1.749 117.639 119.600 -0.354 0.000 2.389 605 M HA 0.686 5.166 4.480 -0.000 0.000 0.291 605 M C -2.131 173.733 176.300 -0.727 0.000 1.128 605 M CA -0.555 54.451 55.300 -0.489 0.000 0.942 605 M CB 1.889 34.339 32.600 -0.250 0.000 1.783 605 M HN 1.504 nan 8.290 nan 0.000 0.501 606 L N 6.174 126.905 121.223 -0.820 0.000 2.568 606 L HA 0.718 5.058 4.340 -0.000 0.000 0.262 606 L C -2.145 174.528 176.870 -0.328 0.000 0.980 606 L CA 0.006 54.477 54.840 -0.616 0.000 0.882 606 L CB 1.416 42.935 42.059 -0.900 0.000 1.198 606 L HN 0.748 nan 8.230 nan 0.000 0.425 607 I N 5.815 126.282 120.570 -0.172 0.000 2.406 607 I HA 0.528 4.698 4.170 -0.000 0.000 0.290 607 I C -0.580 175.542 176.117 0.008 0.000 0.999 607 I CA -0.323 60.922 61.300 -0.092 0.000 1.124 607 I CB 1.768 39.708 38.000 -0.100 0.000 1.289 607 I HN 0.426 nan 8.210 nan 0.000 0.441 608 I N 5.372 125.969 120.570 0.045 0.000 2.478 608 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 608 I C -0.402 175.778 176.117 0.105 0.000 1.042 608 I CA -0.326 61.084 61.300 0.185 0.000 1.067 608 I CB 1.781 39.881 38.000 0.167 0.000 1.233 608 I HN 0.664 nan 8.210 nan 0.000 0.431 609 D N 5.186 125.629 120.400 0.071 0.000 2.870 609 D HA -0.173 4.466 4.640 -0.000 0.000 0.228 609 D C 0.874 177.140 176.300 -0.057 0.000 1.147 609 D CA 1.536 55.539 54.000 0.006 0.000 0.757 609 D CB -0.815 40.046 40.800 0.101 0.000 1.091 609 D HN 1.164 nan 8.370 nan 0.000 0.429 610 G N -0.481 108.246 108.800 -0.122 0.000 2.221 610 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 610 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 610 G C -0.188 174.693 174.900 -0.031 0.000 1.041 610 G CA 0.516 45.569 45.100 -0.078 0.000 0.807 610 G HN 0.496 nan 8.290 nan 0.000 0.502 611 Q N -0.637 119.149 119.800 -0.024 0.000 2.304 611 Q HA 0.488 4.828 4.340 -0.000 0.000 0.270 611 Q C -0.116 175.870 176.000 -0.024 0.000 1.035 611 Q CA -0.740 55.061 55.803 -0.003 0.000 0.781 611 Q CB 2.043 30.796 28.738 0.025 0.000 1.261 611 Q HN 0.468 nan 8.270 nan 0.000 0.444 612 I N 3.982 124.531 120.570 -0.035 0.000 2.416 612 I HA 0.101 4.271 4.170 -0.000 0.000 0.288 612 I C 0.620 176.709 176.117 -0.046 0.000 1.051 612 I CA 0.264 61.524 61.300 -0.067 0.000 1.375 612 I CB 0.564 38.517 38.000 -0.078 0.000 1.407 612 I HN 0.710 nan 8.210 nan 0.000 0.516 613 I N 7.371 127.894 120.570 -0.078 0.000 2.900 613 I HA 0.117 4.286 4.170 -0.000 0.000 0.251 613 I C -0.230 175.934 176.117 0.078 0.000 1.102 613 I CA 0.260 61.556 61.300 -0.007 0.000 1.457 613 I CB 0.216 38.216 38.000 0.000 0.000 1.285 613 I HN 0.502 nan 8.210 nan 0.000 0.459 614 F N 0.266 120.182 119.950 -0.057 0.000 2.613 614 F HA 0.810 5.337 4.527 -0.000 0.000 0.310 614 F C -0.456 175.287 175.800 -0.096 0.000 1.085 614 F CA -1.148 56.807 58.000 -0.074 0.000 0.945 614 F CB 1.140 40.095 39.000 -0.076 0.000 1.298 614 F HN 0.043 nan 8.300 nan 0.000 0.455 615 G N 1.085 109.986 108.800 0.169 0.000 2.841 615 G HA2 0.267 4.227 3.960 -0.000 0.000 0.684 615 G HA3 0.267 4.227 3.960 -0.000 0.000 0.684 615 G C -1.816 173.068 174.900 -0.027 0.000 1.273 615 G CA -0.714 44.425 45.100 0.065 0.000 0.811 615 G HN 1.036 nan 8.290 nan 0.000 0.631 616 V N 1.793 121.692 119.914 -0.025 0.000 2.614 616 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 616 V C 1.178 177.228 176.094 -0.074 0.000 1.049 616 V CA -0.472 61.793 62.300 -0.059 0.000 1.038 616 V CB 1.537 33.331 31.823 -0.048 0.000 0.980 616 V HN 0.834 nan 8.190 nan 0.000 0.481 617 V N 5.958 125.815 119.914 -0.096 0.000 2.455 617 V HA 0.463 4.583 4.120 -0.000 0.000 0.273 617 V C 0.142 176.186 176.094 -0.084 0.000 1.045 617 V CA -0.071 62.171 62.300 -0.097 0.000 0.976 617 V CB 0.618 32.373 31.823 -0.114 0.000 0.993 617 V HN 1.165 nan 8.190 nan 0.000 0.475 618 E N 3.145 123.304 120.200 -0.068 0.000 2.233 618 E HA 0.362 4.712 4.350 -0.000 0.000 0.223 618 E C 0.684 177.258 176.600 -0.044 0.000 1.048 618 E CA -0.864 55.503 56.400 -0.055 0.000 0.883 618 E CB 0.421 30.096 29.700 -0.042 0.000 1.925 618 E HN 0.051 nan 8.360 nan 0.000 0.460 619 K N -0.008 120.374 120.400 -0.029 0.000 2.218 619 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 619 K C 1.280 177.870 176.600 -0.016 0.000 1.046 619 K CA 1.633 57.910 56.287 -0.018 0.000 0.933 619 K CB -0.118 32.378 32.500 -0.006 0.000 0.728 619 K HN 0.346 nan 8.250 nan 0.000 0.454 620 K N -1.004 119.384 120.400 -0.020 0.000 2.296 620 K HA -0.015 4.304 4.320 -0.000 0.000 0.200 620 K C 1.743 178.327 176.600 -0.027 0.000 1.048 620 K CA 1.212 57.489 56.287 -0.018 0.000 0.966 620 K CB 0.304 32.794 32.500 -0.016 0.000 0.754 620 K HN 0.101 nan 8.250 nan 0.000 0.466 621 T N -0.260 114.269 114.554 -0.043 0.000 2.988 621 T HA -0.004 4.346 4.350 -0.000 0.000 0.240 621 T C 1.492 176.154 174.700 -0.064 0.000 1.014 621 T CA 0.486 62.550 62.100 -0.059 0.000 1.155 621 T CB 0.198 69.018 68.868 -0.079 0.000 0.872 621 T HN -0.065 nan 8.240 nan 0.000 0.440 622 V N 1.458 121.331 119.914 -0.068 0.000 3.376 622 V HA 0.488 4.608 4.120 -0.000 0.000 0.313 622 V C 0.857 176.912 176.094 -0.064 0.000 1.393 622 V CA -0.034 62.212 62.300 -0.090 0.000 1.125 622 V CB -0.345 31.416 31.823 -0.103 0.000 1.037 622 V HN 0.468 nan 8.190 nan 0.000 0.440 623 G N -0.237 108.544 108.800 -0.031 0.000 2.531 623 G HA2 0.341 4.301 3.960 -0.000 0.000 0.313 623 G HA3 0.341 4.301 3.960 -0.000 0.000 0.313 623 G C 0.771 175.682 174.900 0.018 0.000 1.238 623 G CA 0.365 45.465 45.100 -0.000 0.000 0.994 623 G HN 0.436 nan 8.290 nan 0.000 0.493 624 S N -0.575 115.147 115.700 0.038 0.000 2.881 624 S HA 0.103 4.573 4.470 -0.000 0.000 0.228 624 S C 1.249 175.880 174.600 0.050 0.000 0.965 624 S CA 0.212 58.441 58.200 0.048 0.000 0.998 624 S CB -0.988 62.239 63.200 0.045 0.000 0.795 624 S HN 0.851 nan 8.310 nan 0.000 0.518 625 S N 1.412 117.140 115.700 0.045 0.000 2.617 625 S HA 0.221 4.691 4.470 -0.000 0.000 0.255 625 S C 1.112 175.768 174.600 0.093 0.000 1.318 625 S CA -0.567 57.664 58.200 0.051 0.000 0.978 625 S CB 0.256 63.471 63.200 0.025 0.000 0.961 625 S HN 0.320 nan 8.310 nan 0.000 0.582 626 N N 0.746 119.494 118.700 0.080 0.000 2.173 626 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 626 N C 1.441 176.976 175.510 0.042 0.000 1.025 626 N CA 1.341 54.459 53.050 0.114 0.000 0.852 626 N CB -0.715 37.796 38.487 0.040 0.000 0.998 626 N HN 0.836 nan 8.380 nan 0.000 0.427 627 G N -0.275 108.520 108.800 -0.009 0.000 3.523 627 G HA2 0.288 4.248 3.960 -0.000 0.000 0.270 627 G HA3 0.288 4.248 3.960 -0.000 0.000 0.270 627 G C 0.484 175.380 174.900 -0.006 0.000 1.134 627 G CA -0.091 44.980 45.100 -0.050 0.000 0.825 627 G HN 0.332 nan 8.290 nan 0.000 0.534 628 G N -0.118 108.706 108.800 0.039 0.000 2.484 628 G HA2 0.180 4.140 3.960 -0.000 0.000 0.235 628 G HA3 0.180 4.140 3.960 -0.000 0.000 0.235 628 G C 1.057 175.967 174.900 0.017 0.000 1.282 628 G CA -0.601 44.513 45.100 0.024 0.000 0.857 628 G HN 0.159 nan 8.290 nan 0.000 0.571 629 L N 1.892 123.095 121.223 -0.033 0.000 2.197 629 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 629 L C 2.482 179.318 176.870 -0.056 0.000 1.095 629 L CA 1.581 56.387 54.840 -0.057 0.000 0.764 629 L CB -0.349 41.652 42.059 -0.097 0.000 0.897 629 L HN 0.654 nan 8.230 nan 0.000 0.436 630 I N -1.325 119.209 120.570 -0.060 0.000 2.233 630 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 630 I C 2.532 178.678 176.117 0.048 0.000 1.093 630 I CA 0.887 62.151 61.300 -0.061 0.000 1.380 630 I CB -0.759 37.196 38.000 -0.075 0.000 1.067 630 I HN 0.313 nan 8.210 nan 0.000 0.413 631 H N 1.208 120.271 119.070 -0.012 0.000 2.421 631 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 631 H C 2.131 177.464 175.328 0.008 0.000 1.087 631 H CA 1.477 57.529 56.048 0.006 0.000 1.330 631 H CB 0.073 29.840 29.762 0.009 0.000 1.388 631 H HN 0.103 nan 8.280 nan 0.000 0.526 632 V N -0.260 119.752 119.914 0.163 0.000 2.302 632 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 632 V C 2.867 179.006 176.094 0.074 0.000 1.036 632 V CA 1.311 63.666 62.300 0.091 0.000 1.020 632 V CB -0.705 31.137 31.823 0.032 0.000 0.657 632 V HN 0.194 nan 8.190 nan 0.000 0.453 633 V N 0.329 120.265 119.914 0.037 0.000 2.407 633 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 633 V C 2.588 178.708 176.094 0.043 0.000 1.055 633 V CA 2.532 64.843 62.300 0.018 0.000 1.049 633 V CB -1.213 30.599 31.823 -0.019 0.000 0.662 633 V HN 0.624 nan 8.190 nan 0.000 0.455 634 T N -0.422 114.167 114.554 0.058 0.000 2.746 634 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 634 T C 2.101 176.842 174.700 0.069 0.000 1.039 634 T CA 1.130 63.263 62.100 0.056 0.000 1.142 634 T CB -0.223 68.660 68.868 0.025 0.000 0.866 634 T HN 0.280 nan 8.240 nan 0.000 0.444 635 R N 0.496 121.061 120.500 0.107 0.000 2.153 635 R HA 0.121 4.461 4.340 -0.000 0.000 0.218 635 R C 2.250 178.607 176.300 0.095 0.000 1.072 635 R CA 0.900 57.074 56.100 0.123 0.000 0.990 635 R CB -0.138 30.268 30.300 0.176 0.000 0.889 635 R HN 0.392 nan 8.270 nan 0.000 0.452 636 E N 0.216 120.464 120.200 0.080 0.000 2.099 636 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 636 E C 1.450 178.085 176.600 0.058 0.000 0.962 636 E CA 0.913 57.355 56.400 0.071 0.000 0.826 636 E CB 0.336 30.071 29.700 0.059 0.000 0.788 636 E HN -0.128 nan 8.360 nan 0.000 0.461 637 K N -0.669 119.757 120.400 0.045 0.000 2.354 637 K HA 0.299 4.619 4.320 -0.000 0.000 0.194 637 K C -0.069 176.554 176.600 0.039 0.000 1.045 637 K CA 0.742 57.051 56.287 0.036 0.000 1.026 637 K CB 1.286 33.800 32.500 0.022 0.000 0.866 637 K HN 0.208 nan 8.250 nan 0.000 0.530 638 G N 2.266 111.092 108.800 0.044 0.000 3.055 638 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.685 638 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.685 638 G C -2.183 172.740 174.900 0.039 0.000 1.212 638 G CA -0.581 44.543 45.100 0.040 0.000 0.822 638 G HN -0.217 nan 8.290 nan 0.000 0.610 639 P HA -0.290 nan 4.420 nan 0.000 0.219 639 P C 1.592 178.915 177.300 0.038 0.000 1.158 639 P CA 1.921 65.037 63.100 0.026 0.000 0.895 639 P CB 0.072 31.773 31.700 0.002 0.000 0.792 640 Q N -0.781 119.036 119.800 0.029 0.000 2.119 640 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 640 Q C 2.286 178.315 176.000 0.049 0.000 0.972 640 Q CA 1.259 57.080 55.803 0.031 0.000 0.847 640 Q CB -0.386 28.364 28.738 0.021 0.000 0.903 640 Q HN 0.180 nan 8.270 nan 0.000 0.433 641 V N -0.087 119.856 119.914 0.048 0.000 2.548 641 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 641 V C 2.287 178.422 176.094 0.069 0.000 1.055 641 V CA 1.297 63.627 62.300 0.050 0.000 1.065 641 V CB -0.452 31.393 31.823 0.035 0.000 0.681 641 V HN 0.523 nan 8.190 nan 0.000 0.462 642 C N 0.700 120.051 119.300 0.085 0.000 2.440 642 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 642 C C 3.090 178.250 174.990 0.284 0.000 1.295 642 C CA 0.723 59.816 59.018 0.125 0.000 1.738 642 C CB -1.130 26.685 27.740 0.125 0.000 1.987 642 C HN 0.565 nan 8.230 nan 0.000 0.492 643 A N -0.227 122.731 122.820 0.229 0.000 1.978 643 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 643 A C 2.260 180.005 177.584 0.268 0.000 1.170 643 A CA 1.975 54.145 52.037 0.221 0.000 0.636 643 A CB -0.592 18.440 19.000 0.053 0.000 0.810 643 A HN 0.749 nan 8.150 nan 0.000 0.448 644 K N -1.134 119.376 120.400 0.182 0.000 2.243 644 K HA 0.063 4.383 4.320 -0.000 0.000 0.201 644 K C 1.791 178.479 176.600 0.147 0.000 1.051 644 K CA 0.534 56.905 56.287 0.140 0.000 0.970 644 K CB -0.173 32.380 32.500 0.088 0.000 0.755 644 K HN 0.353 nan 8.250 nan 0.000 0.465 645 L N 0.927 122.228 121.223 0.129 0.000 1.971 645 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 645 L C 1.575 178.441 176.870 -0.006 0.000 1.072 645 L CA 1.894 56.740 54.840 0.011 0.000 0.758 645 L CB -0.697 41.299 42.059 -0.106 0.000 0.889 645 L HN 0.094 nan 8.230 nan 0.000 0.433 646 F N 0.151 120.107 119.950 0.011 0.000 2.048 646 F HA -0.286 4.241 4.527 -0.000 0.000 0.296 646 F C 2.525 178.337 175.800 0.021 0.000 1.109 646 F CA 1.979 59.987 58.000 0.014 0.000 1.214 646 F CB -1.689 37.322 39.000 0.019 0.000 0.963 646 F HN 0.232 nan 8.300 nan 0.000 0.491 647 G N -0.669 108.287 108.800 0.260 0.000 2.440 647 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 647 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 647 G C 1.615 176.583 174.900 0.113 0.000 1.154 647 G CA 1.178 46.373 45.100 0.158 0.000 0.767 647 G HN 0.263 nan 8.290 nan 0.000 0.552 648 N N 0.777 119.534 118.700 0.096 0.000 2.028 648 N HA -0.051 4.689 4.740 -0.000 0.000 0.194 648 N C 2.285 177.819 175.510 0.039 0.000 1.050 648 N CA 0.918 54.009 53.050 0.070 0.000 0.848 648 N CB -0.541 37.980 38.487 0.056 0.000 1.038 648 N HN 0.320 nan 8.380 nan 0.000 0.423 649 I N 1.673 122.247 120.570 0.006 0.000 2.093 649 I HA -0.417 3.753 4.170 -0.000 0.000 0.239 649 I C 2.437 178.551 176.117 -0.006 0.000 1.026 649 I CA 1.570 62.856 61.300 -0.024 0.000 1.295 649 I CB -0.438 37.519 38.000 -0.073 0.000 1.007 649 I HN 0.281 nan 8.210 nan 0.000 0.401 650 Q N 0.494 120.308 119.800 0.023 0.000 1.998 650 Q HA -0.300 4.040 4.340 -0.000 0.000 0.209 650 Q C 2.299 178.285 176.000 -0.023 0.000 1.002 650 Q CA 2.096 57.911 55.803 0.021 0.000 0.858 650 Q CB -0.236 28.540 28.738 0.063 0.000 0.932 650 Q HN 0.412 nan 8.270 nan 0.000 0.416 651 K N -0.213 120.180 120.400 -0.012 0.000 2.089 651 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 651 K C 2.047 178.517 176.600 -0.217 0.000 1.048 651 K CA 1.736 57.957 56.287 -0.110 0.000 0.926 651 K CB -0.173 32.394 32.500 0.113 0.000 0.714 651 K HN 0.059 nan 8.250 nan 0.000 0.448 652 V N 0.336 120.211 119.914 -0.065 0.000 2.232 652 V HA -0.227 3.893 4.120 -0.000 0.000 0.239 652 V C 2.228 178.340 176.094 0.029 0.000 1.040 652 V CA 1.533 63.820 62.300 -0.022 0.000 0.996 652 V CB -0.636 31.188 31.823 0.001 0.000 0.638 652 V HN 0.053 nan 8.190 nan 0.000 0.453 653 V N 1.053 120.972 119.914 0.009 0.000 2.223 653 V HA -0.400 3.720 4.120 -0.000 0.000 0.253 653 V C 2.420 178.557 176.094 0.070 0.000 1.061 653 V CA 2.692 65.014 62.300 0.038 0.000 1.035 653 V CB -1.091 30.724 31.823 -0.014 0.000 0.653 653 V HN 0.603 nan 8.190 nan 0.000 0.454 654 N N -0.703 117.986 118.700 -0.018 0.000 2.091 654 N HA -0.232 4.508 4.740 -0.000 0.000 0.193 654 N C 1.689 177.116 175.510 -0.138 0.000 1.021 654 N CA 2.169 55.175 53.050 -0.074 0.000 0.862 654 N CB -0.506 37.915 38.487 -0.109 0.000 1.018 654 N HN 0.618 nan 8.380 nan 0.000 0.429 655 F N 0.005 119.740 119.950 -0.357 0.000 2.146 655 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 655 F C 2.339 178.001 175.800 -0.231 0.000 1.096 655 F CA 1.040 58.760 58.000 -0.466 0.000 1.275 655 F CB -0.506 38.017 39.000 -0.795 0.000 1.008 655 F HN 0.082 nan 8.300 nan 0.000 0.480 656 W N 0.837 122.019 121.300 -0.196 0.000 2.332 656 W HA -0.249 4.411 4.660 -0.000 0.000 0.321 656 W C 2.157 178.531 176.519 -0.242 0.000 1.219 656 W CA 2.108 59.338 57.345 -0.191 0.000 1.277 656 W CB -0.845 28.576 29.460 -0.065 0.000 1.161 656 W HN 0.122 nan 8.180 nan 0.000 0.476 657 L N 0.937 122.141 121.223 -0.032 0.000 2.187 657 L HA -0.153 4.186 4.340 -0.000 0.000 0.213 657 L C 2.328 178.982 176.870 -0.360 0.000 1.100 657 L CA 2.009 56.726 54.840 -0.205 0.000 0.765 657 L CB -1.299 40.774 42.059 0.023 0.000 0.904 657 L HN 0.266 nan 8.230 nan 0.000 0.437 658 L N -1.900 119.052 121.223 -0.452 0.000 2.275 658 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 658 L C 2.025 178.512 176.870 -0.637 0.000 1.119 658 L CA 1.630 56.159 54.840 -0.519 0.000 0.790 658 L CB -0.658 41.045 42.059 -0.594 0.000 0.919 658 L HN 0.353 nan 8.230 nan 0.000 0.443 659 H N -1.838 116.903 119.070 -0.547 0.000 2.639 659 H HA 0.153 4.709 4.556 -0.000 0.000 0.267 659 H C 1.724 176.742 175.328 -0.517 0.000 0.958 659 H CA 0.841 56.576 56.048 -0.522 0.000 1.221 659 H CB 0.027 29.422 29.762 -0.611 0.000 1.446 659 H HN 0.417 nan 8.280 nan 0.000 0.512 660 N N 0.460 118.782 118.700 -0.629 0.000 2.109 660 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 660 N C 0.738 176.075 175.510 -0.289 0.000 1.034 660 N CA 1.305 53.992 53.050 -0.605 0.000 0.846 660 N CB 0.475 38.293 38.487 -1.115 0.000 1.010 660 N HN 0.449 nan 8.380 nan 0.000 0.425 661 G N -1.269 107.395 108.800 -0.226 0.000 2.728 661 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.294 661 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.294 661 G C -0.883 174.077 174.900 0.101 0.000 1.342 661 G CA -0.200 44.859 45.100 -0.069 0.000 0.866 661 G HN 0.575 nan 8.290 nan 0.000 0.534 662 F N -0.552 119.352 119.950 -0.077 0.000 2.780 662 F HA 0.609 5.136 4.527 -0.000 0.000 0.320 662 F C -0.237 175.545 175.800 -0.031 0.000 1.118 662 F CA 0.574 58.550 58.000 -0.040 0.000 0.964 662 F CB 1.002 39.989 39.000 -0.021 0.000 1.249 662 F HN 1.678 nan 8.300 nan 0.000 0.455 663 S N 1.637 116.845 115.700 -0.821 0.000 2.790 663 S HA 0.936 5.406 4.470 -0.000 0.000 0.292 663 S C -1.698 172.514 174.600 -0.647 0.000 1.197 663 S CA -0.052 57.834 58.200 -0.522 0.000 0.851 663 S CB 1.979 65.019 63.200 -0.267 0.000 1.217 663 S HN 0.873 nan 8.310 nan 0.000 0.526 664 T N 0.596 114.956 114.554 -0.325 0.000 2.982 664 T HA 0.704 5.054 4.350 -0.000 0.000 0.321 664 T C -0.272 174.346 174.700 -0.137 0.000 1.229 664 T CA -0.241 61.720 62.100 -0.230 0.000 1.044 664 T CB 1.372 70.145 68.868 -0.158 0.000 1.184 664 T HN 0.997 nan 8.240 nan 0.000 0.477 665 G N 0.434 109.171 108.800 -0.105 0.000 3.015 665 G HA2 0.597 4.556 3.960 -0.000 0.000 0.281 665 G HA3 0.597 4.556 3.960 -0.000 0.000 0.281 665 G C 0.557 175.428 174.900 -0.048 0.000 1.386 665 G CA -0.981 44.077 45.100 -0.069 0.000 0.959 665 G HN 0.619 nan 8.290 nan 0.000 0.522 666 I N 0.315 120.865 120.570 -0.034 0.000 2.394 666 I HA 0.092 4.262 4.170 -0.000 0.000 0.251 666 I C 2.767 178.873 176.117 -0.018 0.000 1.136 666 I CA 1.288 62.575 61.300 -0.021 0.000 1.425 666 I CB -0.895 37.097 38.000 -0.014 0.000 1.079 666 I HN 0.504 nan 8.210 nan 0.000 0.425 667 G N 0.702 109.488 108.800 -0.024 0.000 2.499 667 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.221 667 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.221 667 G C 1.311 176.201 174.900 -0.016 0.000 1.109 667 G CA 1.069 46.157 45.100 -0.019 0.000 0.749 667 G HN 0.415 nan 8.290 nan 0.000 0.568 668 D N -0.150 120.235 120.400 -0.024 0.000 2.347 668 D HA -0.049 4.591 4.640 -0.000 0.000 0.215 668 D C 2.529 178.827 176.300 -0.004 0.000 0.976 668 D CA 1.452 55.442 54.000 -0.017 0.000 0.884 668 D CB 0.093 40.873 40.800 -0.033 0.000 0.915 668 D HN 0.532 nan 8.370 nan 0.000 0.526 669 T N -2.015 112.537 114.554 -0.003 0.000 3.040 669 T HA 0.212 4.562 4.350 -0.000 0.000 0.250 669 T C 1.031 175.735 174.700 0.007 0.000 1.058 669 T CA -0.257 61.846 62.100 0.005 0.000 0.988 669 T CB 0.225 69.099 68.868 0.010 0.000 0.993 669 T HN -0.061 nan 8.240 nan 0.000 0.519 670 I N 2.606 123.178 120.570 0.004 0.000 2.352 670 I HA 0.561 4.731 4.170 -0.000 0.000 0.290 670 I C 0.623 176.745 176.117 0.009 0.000 1.036 670 I CA -0.889 60.414 61.300 0.006 0.000 1.336 670 I CB 0.961 38.963 38.000 0.003 0.000 1.407 670 I HN 0.221 nan 8.210 nan 0.000 0.497 671 A N 4.982 127.809 122.820 0.011 0.000 2.281 671 A HA 0.337 4.657 4.320 -0.000 0.000 0.329 671 A C -0.313 177.280 177.584 0.015 0.000 1.122 671 A CA -0.636 51.410 52.037 0.015 0.000 0.850 671 A CB 0.695 19.706 19.000 0.018 0.000 1.207 671 A HN 0.664 nan 8.150 nan 0.000 0.495 672 D N 0.607 121.018 120.400 0.017 0.000 2.571 672 D HA 0.129 4.769 4.640 -0.000 0.000 0.231 672 D C 1.683 177.992 176.300 0.015 0.000 1.133 672 D CA 1.414 55.423 54.000 0.016 0.000 0.862 672 D CB 0.909 41.720 40.800 0.019 0.000 1.179 672 D HN 0.582 nan 8.370 nan 0.000 0.474 673 G N 4.881 113.689 108.800 0.013 0.000 2.719 673 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 673 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 673 G C -0.767 174.141 174.900 0.014 0.000 1.234 673 G CA 0.981 46.088 45.100 0.012 0.000 0.788 673 G HN 0.581 nan 8.290 nan 0.000 0.619 674 P HA -0.020 nan 4.420 nan 0.000 0.225 674 P C 1.516 178.827 177.300 0.018 0.000 1.148 674 P CA 1.516 64.626 63.100 0.016 0.000 0.779 674 P CB -0.169 31.540 31.700 0.015 0.000 0.780 675 T N -0.261 114.305 114.554 0.020 0.000 2.809 675 T HA 0.006 4.356 4.350 -0.000 0.000 0.260 675 T C 1.932 176.646 174.700 0.024 0.000 1.039 675 T CA 0.929 63.043 62.100 0.024 0.000 1.141 675 T CB -0.494 68.390 68.868 0.027 0.000 0.869 675 T HN -0.036 nan 8.240 nan 0.000 0.437 676 M N 1.170 120.782 119.600 0.020 0.000 2.267 676 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 676 M C 2.313 178.625 176.300 0.020 0.000 1.063 676 M CA 1.263 56.574 55.300 0.018 0.000 1.090 676 M CB -0.924 31.685 32.600 0.014 0.000 1.392 676 M HN 0.211 nan 8.290 nan 0.000 0.422 677 R N 0.375 120.886 120.500 0.019 0.000 2.066 677 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 677 R C 2.037 178.350 176.300 0.022 0.000 1.131 677 R CA 1.802 57.913 56.100 0.019 0.000 0.955 677 R CB -0.176 30.134 30.300 0.017 0.000 0.851 677 R HN 0.419 nan 8.270 nan 0.000 0.432 678 E N 0.067 120.281 120.200 0.023 0.000 2.150 678 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 678 E C 1.871 178.489 176.600 0.031 0.000 0.985 678 E CA 1.075 57.491 56.400 0.026 0.000 0.814 678 E CB 0.029 29.745 29.700 0.027 0.000 0.752 678 E HN 0.428 nan 8.360 nan 0.000 0.466 679 I N 0.133 120.723 120.570 0.033 0.000 2.193 679 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 679 I C 2.437 178.579 176.117 0.042 0.000 1.084 679 I CA 1.176 62.500 61.300 0.040 0.000 1.365 679 I CB -0.454 37.567 38.000 0.035 0.000 1.064 679 I HN 0.082 nan 8.210 nan 0.000 0.410 680 T N 0.936 115.511 114.554 0.035 0.000 2.635 680 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 680 T C 1.696 176.420 174.700 0.040 0.000 1.040 680 T CA 2.127 64.250 62.100 0.038 0.000 1.156 680 T CB -0.477 68.408 68.868 0.030 0.000 0.863 680 T HN 0.610 nan 8.240 nan 0.000 0.430 681 E N 0.281 120.500 120.200 0.031 0.000 2.208 681 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 681 E C 1.972 178.585 176.600 0.022 0.000 0.988 681 E CA 1.202 57.616 56.400 0.024 0.000 0.828 681 E CB -0.483 29.227 29.700 0.018 0.000 0.763 681 E HN 0.270 nan 8.360 nan 0.000 0.478 682 T N 1.102 115.675 114.554 0.031 0.000 2.867 682 T HA -0.002 4.348 4.350 -0.000 0.000 0.268 682 T C 1.746 176.468 174.700 0.037 0.000 1.057 682 T CA 1.031 63.150 62.100 0.032 0.000 1.136 682 T CB -0.138 68.757 68.868 0.044 0.000 0.874 682 T HN 0.195 nan 8.240 nan 0.000 0.466 683 I N 1.252 121.857 120.570 0.058 0.000 2.233 683 I HA -0.057 4.113 4.170 -0.000 0.000 0.243 683 I C 2.897 179.031 176.117 0.028 0.000 1.093 683 I CA 0.918 62.264 61.300 0.076 0.000 1.380 683 I CB -0.535 37.553 38.000 0.146 0.000 1.067 683 I HN 0.118 nan 8.210 nan 0.000 0.413 684 A N 1.545 124.383 122.820 0.029 0.000 1.958 684 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 684 A C 2.258 179.830 177.584 -0.020 0.000 1.178 684 A CA 2.381 54.424 52.037 0.011 0.000 0.642 684 A CB -0.857 18.153 19.000 0.016 0.000 0.816 684 A HN 0.696 nan 8.150 nan 0.000 0.453 685 E N -0.469 119.713 120.200 -0.030 0.000 2.158 685 E HA 0.124 4.474 4.350 -0.000 0.000 0.191 685 E C 1.997 178.526 176.600 -0.118 0.000 0.982 685 E CA 0.826 57.188 56.400 -0.063 0.000 0.823 685 E CB -0.433 29.236 29.700 -0.051 0.000 0.766 685 E HN 0.459 nan 8.360 nan 0.000 0.468 686 A N 1.969 124.723 122.820 -0.110 0.000 1.933 686 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 686 A C 2.122 179.585 177.584 -0.202 0.000 1.175 686 A CA 1.543 53.478 52.037 -0.171 0.000 0.628 686 A CB -0.367 18.567 19.000 -0.109 0.000 0.814 686 A HN 0.133 nan 8.150 nan 0.000 0.444 687 K N -0.224 120.089 120.400 -0.145 0.000 2.097 687 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 687 K C 2.031 178.574 176.600 -0.096 0.000 1.049 687 K CA 1.559 57.775 56.287 -0.118 0.000 0.933 687 K CB -0.138 32.329 32.500 -0.056 0.000 0.717 687 K HN 0.428 nan 8.250 nan 0.000 0.442 688 K N 0.900 121.241 120.400 -0.099 0.000 2.057 688 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 688 K C 1.982 178.496 176.600 -0.144 0.000 1.050 688 K CA 1.284 57.516 56.287 -0.092 0.000 0.935 688 K CB 0.047 32.500 32.500 -0.078 0.000 0.715 688 K HN 0.058 nan 8.250 nan 0.000 0.439 689 K N 0.491 120.732 120.400 -0.265 0.000 2.026 689 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 689 K C 2.076 178.477 176.600 -0.332 0.000 1.048 689 K CA 1.298 57.306 56.287 -0.464 0.000 0.929 689 K CB -0.163 31.746 32.500 -0.985 0.000 0.713 689 K HN -0.063 nan 8.250 nan 0.000 0.439 690 V N 1.715 121.501 119.914 -0.213 0.000 2.255 690 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 690 V C 2.234 178.371 176.094 0.073 0.000 1.051 690 V CA 1.601 63.902 62.300 0.001 0.000 1.018 690 V CB -0.423 31.384 31.823 -0.027 0.000 0.641 690 V HN 0.261 nan 8.190 nan 0.000 0.445 691 L N 0.272 121.508 121.223 0.022 0.000 2.083 691 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 691 L C 1.955 178.854 176.870 0.048 0.000 1.083 691 L CA 2.095 56.964 54.840 0.048 0.000 0.752 691 L CB -0.797 41.273 42.059 0.018 0.000 0.899 691 L HN 0.303 nan 8.230 nan 0.000 0.433 692 D N -1.392 119.014 120.400 0.010 0.000 2.178 692 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 692 D C 2.242 178.580 176.300 0.063 0.000 0.974 692 D CA 1.204 55.212 54.000 0.014 0.000 0.841 692 D CB 0.075 40.856 40.800 -0.031 0.000 0.953 692 D HN 0.243 nan 8.370 nan 0.000 0.478 693 V N 0.218 120.204 119.914 0.121 0.000 2.591 693 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 693 V C 2.320 178.565 176.094 0.251 0.000 1.053 693 V CA 1.477 63.909 62.300 0.221 0.000 1.068 693 V CB -0.587 31.441 31.823 0.342 0.000 0.689 693 V HN 0.189 nan 8.190 nan 0.000 0.462 694 T N -0.002 114.715 114.554 0.271 0.000 2.652 694 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 694 T C 1.958 176.656 174.700 -0.004 0.000 1.039 694 T CA 1.664 63.853 62.100 0.148 0.000 1.153 694 T CB -0.227 68.753 68.868 0.186 0.000 0.863 694 T HN 0.421 nan 8.240 nan 0.000 0.428 695 K N 0.668 121.084 120.400 0.027 0.000 2.097 695 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 695 K C 2.441 179.037 176.600 -0.007 0.000 1.049 695 K CA 1.234 57.522 56.287 0.002 0.000 0.933 695 K CB -0.097 32.411 32.500 0.014 0.000 0.717 695 K HN 0.455 nan 8.250 nan 0.000 0.442 696 E N 0.296 120.505 120.200 0.015 0.000 2.152 696 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 696 E C 1.719 178.313 176.600 -0.011 0.000 0.983 696 E CA 0.795 57.204 56.400 0.015 0.000 0.818 696 E CB 0.083 29.810 29.700 0.045 0.000 0.758 696 E HN 0.316 nan 8.360 nan 0.000 0.467 697 A N 0.493 123.287 122.820 -0.043 0.000 1.975 697 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 697 A C 1.959 179.448 177.584 -0.159 0.000 1.170 697 A CA 0.788 52.753 52.037 -0.120 0.000 0.656 697 A CB -0.186 18.658 19.000 -0.261 0.000 0.821 697 A HN 0.238 nan 8.150 nan 0.000 0.449 698 Q N -0.570 119.139 119.800 -0.151 0.000 2.230 698 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 698 Q C 1.820 177.775 176.000 -0.075 0.000 0.963 698 Q CA 1.011 56.738 55.803 -0.126 0.000 0.866 698 Q CB -0.227 28.449 28.738 -0.104 0.000 0.931 698 Q HN 0.624 nan 8.270 nan 0.000 0.452 699 A N 0.815 123.603 122.820 -0.053 0.000 2.302 699 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 699 A C 0.590 178.155 177.584 -0.031 0.000 1.243 699 A CA 0.345 52.362 52.037 -0.033 0.000 0.856 699 A CB -0.298 18.691 19.000 -0.019 0.000 0.893 699 A HN 0.488 nan 8.150 nan 0.000 0.491 700 N N -1.776 116.898 118.700 -0.044 0.000 2.713 700 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 700 N C 0.501 175.998 175.510 -0.021 0.000 1.117 700 N CA 1.294 54.322 53.050 -0.037 0.000 0.770 700 N CB -1.889 36.579 38.487 -0.031 0.000 1.137 700 N HN 0.504 nan 8.380 nan 0.000 0.566 701 L N -0.421 120.793 121.223 -0.014 0.000 2.291 701 L HA 0.060 4.400 4.340 -0.000 0.000 0.214 701 L C 1.154 178.028 176.870 0.007 0.000 1.120 701 L CA 0.349 55.189 54.840 -0.001 0.000 0.799 701 L CB -0.087 41.975 42.059 0.005 0.000 0.925 701 L HN 0.260 nan 8.230 nan 0.000 0.446 702 L N 0.828 122.055 121.223 0.006 0.000 2.462 702 L HA 0.011 4.351 4.340 -0.000 0.000 0.272 702 L C 0.146 177.028 176.870 0.019 0.000 1.166 702 L CA 0.016 54.869 54.840 0.022 0.000 0.880 702 L CB 0.650 42.726 42.059 0.028 0.000 1.142 702 L HN 0.054 nan 8.230 nan 0.000 0.473 703 T N 4.355 118.925 114.554 0.027 0.000 2.727 703 T HA 0.262 4.612 4.350 -0.000 0.000 0.295 703 T C 0.495 175.211 174.700 0.028 0.000 0.915 703 T CA -0.579 61.536 62.100 0.025 0.000 1.066 703 T CB 0.731 69.616 68.868 0.029 0.000 0.891 703 T HN 0.679 nan 8.240 nan 0.000 0.516 704 A N 5.038 127.870 122.820 0.019 0.000 2.515 704 A HA 0.223 4.543 4.320 -0.000 0.000 0.263 704 A C 0.611 178.211 177.584 0.027 0.000 1.096 704 A CA -0.278 51.769 52.037 0.015 0.000 0.769 704 A CB -0.139 18.859 19.000 -0.004 0.000 1.040 704 A HN 0.809 nan 8.150 nan 0.000 0.505 705 K N 1.674 122.095 120.400 0.035 0.000 2.336 705 K HA 0.110 4.430 4.320 -0.000 0.000 0.262 705 K C 0.176 176.815 176.600 0.065 0.000 0.992 705 K CA 0.000 56.323 56.287 0.059 0.000 0.927 705 K CB 0.275 32.809 32.500 0.056 0.000 0.956 705 K HN 0.832 nan 8.250 nan 0.000 0.495 706 H N -0.395 118.683 119.070 0.013 0.000 2.732 706 H HA 0.174 4.730 4.556 -0.000 0.000 0.351 706 H C 1.241 176.576 175.328 0.013 0.000 1.090 706 H CA 1.703 57.756 56.048 0.007 0.000 1.431 706 H CB 0.611 30.372 29.762 -0.001 0.000 1.447 706 H HN 0.734 nan 8.280 nan 0.000 0.582 707 G N 3.322 111.897 108.800 -0.376 0.000 2.205 707 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 707 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 707 G C 0.100 174.954 174.900 -0.077 0.000 0.980 707 G CA 0.443 45.447 45.100 -0.161 0.000 0.632 707 G HN 0.605 nan 8.290 nan 0.000 0.533 708 M N 1.208 120.770 119.600 -0.064 0.000 2.456 708 M HA 0.448 4.928 4.480 -0.000 0.000 0.324 708 M C 0.313 176.591 176.300 -0.036 0.000 1.124 708 M CA -0.526 54.756 55.300 -0.030 0.000 0.959 708 M CB 2.078 34.677 32.600 -0.002 0.000 1.692 708 M HN 0.066 nan 8.290 nan 0.000 0.444 709 T N 2.247 116.789 114.554 -0.021 0.000 2.898 709 T HA 0.131 4.481 4.350 -0.000 0.000 0.301 709 T C 1.344 176.043 174.700 -0.001 0.000 1.049 709 T CA -0.464 61.626 62.100 -0.017 0.000 1.095 709 T CB 0.554 69.417 68.868 -0.008 0.000 0.976 709 T HN 0.467 nan 8.240 nan 0.000 0.539 710 L N 1.358 122.577 121.223 -0.007 0.000 2.263 710 L HA -0.081 4.259 4.340 -0.000 0.000 0.216 710 L C 2.635 179.518 176.870 0.021 0.000 1.111 710 L CA 1.651 56.492 54.840 0.001 0.000 0.773 710 L CB -0.626 41.419 42.059 -0.022 0.000 0.906 710 L HN 0.549 nan 8.230 nan 0.000 0.439 711 R N -0.662 119.847 120.500 0.015 0.000 2.112 711 R HA -0.033 4.307 4.340 -0.000 0.000 0.216 711 R C 2.167 178.528 176.300 0.102 0.000 1.080 711 R CA 0.629 56.754 56.100 0.042 0.000 0.996 711 R CB 0.098 30.400 30.300 0.004 0.000 0.902 711 R HN 0.402 nan 8.270 nan 0.000 0.449 712 E N -0.185 120.048 120.200 0.055 0.000 2.107 712 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 712 E C 1.840 178.457 176.600 0.029 0.000 0.982 712 E CA 1.537 57.959 56.400 0.037 0.000 0.809 712 E CB 0.109 29.818 29.700 0.014 0.000 0.756 712 E HN 0.350 nan 8.360 nan 0.000 0.459 713 S N 0.767 116.491 115.700 0.040 0.000 2.406 713 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 713 S C 1.862 176.488 174.600 0.042 0.000 1.020 713 S CA 0.506 58.722 58.200 0.026 0.000 0.965 713 S CB -0.431 62.788 63.200 0.033 0.000 0.798 713 S HN 0.312 nan 8.310 nan 0.000 0.488 714 F N 2.969 122.892 119.950 -0.045 0.000 2.084 714 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 714 F C 2.401 178.179 175.800 -0.038 0.000 1.111 714 F CA 1.613 59.588 58.000 -0.041 0.000 1.224 714 F CB -0.454 38.511 39.000 -0.059 0.000 0.991 714 F HN 0.060 nan 8.300 nan 0.000 0.471 715 E N 0.349 120.416 120.200 -0.222 0.000 2.038 715 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 715 E C 1.927 178.357 176.600 -0.283 0.000 1.000 715 E CA 1.863 58.074 56.400 -0.316 0.000 0.803 715 E CB -0.786 28.874 29.700 -0.067 0.000 0.750 715 E HN 0.522 nan 8.360 nan 0.000 0.448 716 D N 0.430 120.726 120.400 -0.175 0.000 2.172 716 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 716 D C 1.697 177.848 176.300 -0.249 0.000 0.999 716 D CA 1.183 55.086 54.000 -0.162 0.000 0.856 716 D CB 0.044 40.782 40.800 -0.103 0.000 0.934 716 D HN 0.026 nan 8.370 nan 0.000 0.453 717 N N -0.506 118.007 118.700 -0.311 0.000 2.080 717 N HA -0.104 4.636 4.740 -0.000 0.000 0.189 717 N C 1.986 177.172 175.510 -0.540 0.000 1.036 717 N CA 0.853 53.611 53.050 -0.486 0.000 0.846 717 N CB -0.497 37.777 38.487 -0.355 0.000 1.015 717 N HN 0.136 nan 8.380 nan 0.000 0.423 718 V N 1.206 120.879 119.914 -0.401 0.000 2.287 718 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 718 V C 2.484 178.470 176.094 -0.181 0.000 1.053 718 V CA 1.251 63.400 62.300 -0.252 0.000 1.027 718 V CB -0.624 30.925 31.823 -0.456 0.000 0.646 718 V HN 0.056 nan 8.190 nan 0.000 0.447 719 V N -0.178 119.614 119.914 -0.204 0.000 2.332 719 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 719 V C 2.544 178.575 176.094 -0.106 0.000 1.055 719 V CA 2.415 64.640 62.300 -0.124 0.000 1.038 719 V CB -0.836 30.924 31.823 -0.106 0.000 0.651 719 V HN 0.455 nan 8.190 nan 0.000 0.450 720 R N -0.873 119.515 120.500 -0.187 0.000 2.092 720 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 720 R C 2.316 178.548 176.300 -0.113 0.000 1.119 720 R CA 1.586 57.574 56.100 -0.186 0.000 0.970 720 R CB -0.267 29.855 30.300 -0.298 0.000 0.864 720 R HN 0.526 nan 8.270 nan 0.000 0.440 721 F N 0.307 120.203 119.950 -0.090 0.000 2.186 721 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 721 F C 2.107 177.842 175.800 -0.108 0.000 1.090 721 F CA 0.604 58.549 58.000 -0.093 0.000 1.307 721 F CB 0.026 38.955 39.000 -0.118 0.000 1.019 721 F HN 0.018 nan 8.300 nan 0.000 0.489 722 L N -0.550 120.696 121.223 0.038 0.000 2.131 722 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 722 L C 2.111 179.037 176.870 0.094 0.000 1.087 722 L CA 0.582 55.372 54.840 -0.083 0.000 0.767 722 L CB -0.643 41.248 42.059 -0.281 0.000 0.917 722 L HN 0.082 nan 8.230 nan 0.000 0.441 723 N N 0.444 119.193 118.700 0.082 0.000 2.043 723 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 723 N C 1.750 177.327 175.510 0.111 0.000 1.037 723 N CA 1.406 54.517 53.050 0.100 0.000 0.851 723 N CB -0.161 38.358 38.487 0.053 0.000 1.027 723 N HN 0.356 nan 8.380 nan 0.000 0.422 724 E N 0.442 120.697 120.200 0.092 0.000 2.085 724 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 724 E C 1.895 178.565 176.600 0.116 0.000 0.994 724 E CA 1.127 57.586 56.400 0.098 0.000 0.801 724 E CB -0.094 29.666 29.700 0.101 0.000 0.743 724 E HN 0.373 nan 8.360 nan 0.000 0.453 725 A N 1.501 124.392 122.820 0.119 0.000 1.902 725 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 725 A C 2.098 179.780 177.584 0.164 0.000 1.181 725 A CA 1.519 53.628 52.037 0.121 0.000 0.623 725 A CB -0.472 18.578 19.000 0.085 0.000 0.818 725 A HN 0.103 nan 8.150 nan 0.000 0.443 726 R N -0.417 120.205 120.500 0.203 0.000 2.081 726 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 726 R C 1.437 177.841 176.300 0.174 0.000 1.131 726 R CA 2.007 58.214 56.100 0.178 0.000 0.960 726 R CB -0.411 29.990 30.300 0.168 0.000 0.856 726 R HN 0.429 nan 8.270 nan 0.000 0.436 727 D N 0.579 121.105 120.400 0.210 0.000 2.084 727 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 727 D C 1.826 178.301 176.300 0.292 0.000 0.985 727 D CA 1.921 56.106 54.000 0.308 0.000 0.826 727 D CB -0.089 40.832 40.800 0.202 0.000 0.978 727 D HN 0.465 nan 8.370 nan 0.000 0.456 728 K N 0.436 120.939 120.400 0.171 0.000 2.283 728 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 728 K C 1.966 178.651 176.600 0.141 0.000 1.048 728 K CA 1.147 57.513 56.287 0.133 0.000 0.948 728 K CB 0.005 32.556 32.500 0.085 0.000 0.742 728 K HN 0.016 nan 8.250 nan 0.000 0.458 729 A N 1.903 124.807 122.820 0.141 0.000 1.897 729 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 729 A C 2.498 180.147 177.584 0.109 0.000 1.181 729 A CA 1.392 53.493 52.037 0.107 0.000 0.620 729 A CB -1.112 17.943 19.000 0.091 0.000 0.821 729 A HN 0.492 nan 8.150 nan 0.000 0.443 730 G N -0.607 108.279 108.800 0.142 0.000 2.403 730 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 730 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 730 G C 1.745 176.823 174.900 0.296 0.000 1.154 730 G CA 0.802 45.944 45.100 0.070 0.000 0.784 730 G HN 0.530 nan 8.290 nan 0.000 0.538 731 R N -0.184 120.620 120.500 0.506 0.000 2.091 731 R HA 0.075 4.415 4.340 -0.000 0.000 0.238 731 R C 2.571 178.991 176.300 0.199 0.000 1.136 731 R CA 0.922 57.249 56.100 0.379 0.000 0.959 731 R CB -0.462 29.927 30.300 0.148 0.000 0.856 731 R HN 0.306 nan 8.270 nan 0.000 0.437 732 L N -0.126 121.183 121.223 0.144 0.000 2.127 732 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 732 L C 2.462 179.381 176.870 0.081 0.000 1.089 732 L CA 1.157 56.052 54.840 0.092 0.000 0.757 732 L CB -0.459 41.644 42.059 0.073 0.000 0.899 732 L HN 0.299 nan 8.230 nan 0.000 0.434 733 A N -0.581 122.291 122.820 0.086 0.000 2.016 733 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 733 A C 2.259 179.885 177.584 0.071 0.000 1.162 733 A CA 1.183 53.255 52.037 0.058 0.000 0.662 733 A CB -0.237 18.779 19.000 0.026 0.000 0.812 733 A HN 0.464 nan 8.150 nan 0.000 0.450 734 E N 0.059 120.331 120.200 0.120 0.000 2.046 734 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 734 E C 1.808 178.467 176.600 0.099 0.000 0.982 734 E CA 1.342 57.822 56.400 0.134 0.000 0.800 734 E CB -0.131 29.717 29.700 0.246 0.000 0.756 734 E HN 0.240 nan 8.360 nan 0.000 0.449 735 V N 1.621 121.592 119.914 0.094 0.000 2.282 735 V HA -0.268 3.851 4.120 -0.000 0.000 0.249 735 V C 1.567 177.693 176.094 0.054 0.000 1.057 735 V CA 1.811 64.151 62.300 0.066 0.000 1.032 735 V CB -1.022 30.835 31.823 0.058 0.000 0.645 735 V HN 0.354 nan 8.190 nan 0.000 0.447 736 N N -1.149 117.583 118.700 0.053 0.000 2.231 736 N HA 0.217 4.957 4.740 -0.000 0.000 0.223 736 N C 0.091 175.625 175.510 0.040 0.000 1.329 736 N CA 0.436 53.511 53.050 0.042 0.000 0.889 736 N CB 0.249 38.759 38.487 0.039 0.000 1.125 736 N HN 0.231 nan 8.380 nan 0.000 0.447 737 L N -2.604 118.639 121.223 0.033 0.000 7.826 737 L HA -0.337 4.003 4.340 -0.000 0.000 0.054 737 L C -0.037 176.853 176.870 0.033 0.000 1.428 737 L CA 0.939 55.798 54.840 0.031 0.000 1.396 737 L CB -1.048 41.030 42.059 0.032 0.000 2.954 737 L HN 0.697 nan 8.230 nan 0.000 1.207 738 K N -0.555 119.867 120.400 0.036 0.000 2.126 738 K HA 0.493 4.813 4.320 -0.000 0.000 0.245 738 K C -0.233 176.395 176.600 0.047 0.000 1.068 738 K CA -0.608 55.702 56.287 0.039 0.000 0.877 738 K CB 0.746 33.268 32.500 0.037 0.000 1.406 738 K HN 0.401 nan 8.250 nan 0.000 0.490 739 D N 0.531 120.960 120.400 0.049 0.000 2.240 739 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 739 D C 1.691 178.033 176.300 0.071 0.000 0.963 739 D CA 0.715 54.749 54.000 0.057 0.000 0.863 739 D CB -0.140 40.691 40.800 0.051 0.000 0.973 739 D HN 0.438 nan 8.370 nan 0.000 0.501 740 L N -0.541 120.721 121.223 0.066 0.000 2.633 740 L HA 0.107 4.447 4.340 -0.000 0.000 0.235 740 L C 0.537 177.447 176.870 0.067 0.000 1.163 740 L CA 0.131 55.016 54.840 0.074 0.000 0.859 740 L CB -1.131 40.963 42.059 0.058 0.000 0.973 740 L HN -0.225 nan 8.230 nan 0.000 0.451 741 N N 1.268 120.004 118.700 0.060 0.000 2.431 741 N HA -0.003 4.737 4.740 -0.000 0.000 0.265 741 N C 1.015 176.569 175.510 0.074 0.000 1.184 741 N CA -0.061 53.017 53.050 0.047 0.000 0.943 741 N CB 0.389 38.902 38.487 0.042 0.000 1.080 741 N HN 0.150 nan 8.380 nan 0.000 0.477 742 N N 2.765 121.484 118.700 0.031 0.000 2.104 742 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 742 N C 1.323 176.913 175.510 0.134 0.000 1.024 742 N CA 0.993 54.063 53.050 0.035 0.000 0.853 742 N CB -0.161 38.156 38.487 -0.285 0.000 1.008 742 N HN 0.339 nan 8.380 nan 0.000 0.424 743 V N 1.503 121.455 119.914 0.062 0.000 2.343 743 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 743 V C 2.436 178.589 176.094 0.098 0.000 1.051 743 V CA 1.485 63.831 62.300 0.076 0.000 1.036 743 V CB -0.415 31.429 31.823 0.036 0.000 0.654 743 V HN 0.316 nan 8.190 nan 0.000 0.451 744 K N -0.656 119.798 120.400 0.090 0.000 2.155 744 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 744 K C 2.314 178.975 176.600 0.101 0.000 1.052 744 K CA 0.961 57.301 56.287 0.087 0.000 0.948 744 K CB -0.075 32.471 32.500 0.076 0.000 0.728 744 K HN 0.452 nan 8.250 nan 0.000 0.448 745 Q N 0.079 119.964 119.800 0.142 0.000 2.112 745 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 745 Q C 2.070 178.132 176.000 0.104 0.000 0.987 745 Q CA 1.889 57.785 55.803 0.154 0.000 0.858 745 Q CB -0.076 28.843 28.738 0.301 0.000 0.905 745 Q HN 0.440 nan 8.270 nan 0.000 0.420 746 M N -0.533 119.159 119.600 0.152 0.000 2.175 746 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 746 M C 2.184 178.518 176.300 0.056 0.000 1.063 746 M CA 0.925 56.280 55.300 0.092 0.000 1.119 746 M CB 0.018 32.704 32.600 0.145 0.000 1.377 746 M HN 0.014 nan 8.290 nan 0.000 0.415 747 V N 0.128 120.083 119.914 0.068 0.000 2.548 747 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 747 V C 2.233 178.354 176.094 0.045 0.000 1.055 747 V CA 1.457 63.792 62.300 0.059 0.000 1.065 747 V CB -0.472 31.394 31.823 0.072 0.000 0.681 747 V HN 0.497 nan 8.190 nan 0.000 0.462 748 M N -0.189 119.436 119.600 0.042 0.000 2.200 748 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 748 M C 2.367 178.671 176.300 0.007 0.000 1.066 748 M CA 1.867 57.183 55.300 0.027 0.000 1.127 748 M CB -0.481 32.136 32.600 0.028 0.000 1.379 748 M HN 0.385 nan 8.290 nan 0.000 0.420 749 A N 0.001 122.819 122.820 -0.004 0.000 1.902 749 A HA 0.109 4.428 4.320 -0.000 0.000 0.217 749 A C 1.819 179.396 177.584 -0.012 0.000 1.181 749 A CA 1.586 53.608 52.037 -0.025 0.000 0.623 749 A CB -0.998 17.971 19.000 -0.052 0.000 0.818 749 A HN 0.658 nan 8.150 nan 0.000 0.443 750 G N -1.229 107.574 108.800 0.004 0.000 2.140 750 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.211 750 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.211 750 G C 0.928 175.834 174.900 0.010 0.000 1.013 750 G CA 1.183 46.290 45.100 0.011 0.000 0.705 750 G HN 1.503 nan 8.290 nan 0.000 0.508 751 S N -1.618 114.087 115.700 0.008 0.000 2.439 751 S HA 0.482 4.952 4.470 -0.000 0.000 0.224 751 S C 0.820 175.434 174.600 0.024 0.000 1.029 751 S CA 1.283 59.489 58.200 0.009 0.000 0.946 751 S CB 0.661 63.856 63.200 -0.007 0.000 0.797 751 S HN 0.412 nan 8.310 nan 0.000 0.504 752 K N 0.151 120.571 120.400 0.034 0.000 2.600 752 K HA 0.499 4.819 4.320 -0.000 0.000 0.262 752 K C -0.359 176.267 176.600 0.043 0.000 0.935 752 K CA 0.582 56.891 56.287 0.037 0.000 0.866 752 K CB 1.255 33.781 32.500 0.043 0.000 1.354 752 K HN 0.650 nan 8.250 nan 0.000 0.419 753 G N 1.064 109.885 108.800 0.036 0.000 2.612 753 G HA2 0.092 4.052 3.960 -0.000 0.000 0.686 753 G HA3 0.092 4.052 3.960 -0.000 0.000 0.686 753 G C -0.956 173.973 174.900 0.048 0.000 1.274 753 G CA -0.106 45.017 45.100 0.038 0.000 0.849 753 G HN 1.281 nan 8.290 nan 0.000 0.595 754 S N -1.140 114.593 115.700 0.055 0.000 2.727 754 S HA 0.707 5.177 4.470 -0.000 0.000 0.278 754 S C 0.667 175.335 174.600 0.114 0.000 1.186 754 S CA 0.318 58.573 58.200 0.092 0.000 0.836 754 S CB 1.138 64.395 63.200 0.094 0.000 1.186 754 S HN 1.978 nan 8.310 nan 0.000 0.499 755 F N 1.413 121.379 119.950 0.028 0.000 2.027 755 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 755 F C 2.056 177.877 175.800 0.036 0.000 1.129 755 F CA 1.984 60.002 58.000 0.030 0.000 1.195 755 F CB -0.455 38.560 39.000 0.026 0.000 0.960 755 F HN 0.525 nan 8.300 nan 0.000 0.485 756 I N 1.330 121.817 120.570 -0.137 0.000 2.181 756 I HA -0.414 3.756 4.170 -0.000 0.000 0.247 756 I C 2.043 178.041 176.117 -0.198 0.000 1.081 756 I CA 1.872 63.042 61.300 -0.217 0.000 1.340 756 I CB -1.299 36.709 38.000 0.013 0.000 1.036 756 I HN 0.375 nan 8.210 nan 0.000 0.417 757 N N 0.536 119.177 118.700 -0.097 0.000 2.244 757 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 757 N C 1.870 177.340 175.510 -0.068 0.000 1.016 757 N CA 1.192 54.212 53.050 -0.050 0.000 0.866 757 N CB -0.072 38.406 38.487 -0.016 0.000 0.980 757 N HN 0.444 nan 8.380 nan 0.000 0.430 758 I N 1.079 121.575 120.570 -0.123 0.000 2.277 758 I HA -0.108 4.062 4.170 -0.000 0.000 0.243 758 I C 2.487 178.500 176.117 -0.174 0.000 1.094 758 I CA 0.653 61.886 61.300 -0.112 0.000 1.393 758 I CB -0.462 37.486 38.000 -0.088 0.000 1.078 758 I HN -0.026 nan 8.210 nan 0.000 0.417 759 A N 0.714 123.302 122.820 -0.387 0.000 1.903 759 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 759 A C 2.259 179.732 177.584 -0.185 0.000 1.191 759 A CA 2.049 53.845 52.037 -0.401 0.000 0.638 759 A CB -0.720 17.830 19.000 -0.751 0.000 0.823 759 A HN 0.562 nan 8.150 nan 0.000 0.451 760 Q N -1.689 118.040 119.800 -0.117 0.000 2.398 760 Q HA 0.196 4.535 4.340 -0.000 0.000 0.204 760 Q C 1.946 178.017 176.000 0.118 0.000 0.932 760 Q CA 0.625 56.418 55.803 -0.016 0.000 0.916 760 Q CB 0.043 28.841 28.738 0.100 0.000 1.024 760 Q HN 0.704 nan 8.270 nan 0.000 0.504 761 M N -0.827 118.832 119.600 0.098 0.000 2.394 761 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 761 M C 1.604 177.936 176.300 0.054 0.000 1.098 761 M CA 0.942 56.319 55.300 0.129 0.000 1.149 761 M CB 0.486 33.123 32.600 0.062 0.000 1.369 761 M HN 0.050 nan 8.290 nan 0.000 0.450 762 S N -0.066 115.636 115.700 0.002 0.000 2.517 762 S HA 0.310 4.780 4.470 -0.000 0.000 0.228 762 S C 1.053 175.642 174.600 -0.019 0.000 1.060 762 S CA 0.307 58.503 58.200 -0.006 0.000 0.937 762 S CB 0.233 63.427 63.200 -0.010 0.000 0.840 762 S HN 0.409 nan 8.310 nan 0.000 0.546 763 A N 0.684 123.481 122.820 -0.038 0.000 3.696 763 A HA 0.541 4.861 4.320 -0.000 0.000 0.156 763 A C 0.419 177.961 177.584 -0.069 0.000 1.732 763 A CA -0.306 51.710 52.037 -0.035 0.000 1.004 763 A CB -0.736 18.254 19.000 -0.016 0.000 1.799 763 A HN 0.495 nan 8.150 nan 0.000 0.665 764 C N 0.317 119.582 119.300 -0.059 0.000 2.629 764 C HA 0.391 4.851 4.460 -0.000 0.000 0.410 764 C C 1.882 176.763 174.990 -0.182 0.000 1.339 764 C CA -0.035 58.915 59.018 -0.112 0.000 1.810 764 C CB -1.177 26.549 27.740 -0.024 0.000 2.549 764 C HN 0.506 nan 8.230 nan 0.000 0.589 765 V N 6.680 126.409 119.914 -0.309 0.000 2.237 765 V HA 0.205 4.325 4.120 -0.000 0.000 0.245 765 V C 1.636 177.555 176.094 -0.291 0.000 1.046 765 V CA 2.400 64.477 62.300 -0.373 0.000 1.007 765 V CB -1.389 30.057 31.823 -0.628 0.000 0.638 765 V HN 1.503 nan 8.190 nan 0.000 0.445 766 G N -1.012 107.551 108.800 -0.396 0.000 2.354 766 G HA2 0.050 4.010 3.960 -0.000 0.000 0.582 766 G HA3 0.050 4.010 3.960 -0.000 0.000 0.582 766 G C -0.987 173.765 174.900 -0.246 0.000 1.316 766 G CA -0.183 44.773 45.100 -0.240 0.000 0.995 766 G HN 0.382 nan 8.290 nan 0.000 0.573 767 Q N 0.054 119.907 119.800 0.088 0.000 2.281 767 Q HA 0.558 4.898 4.340 -0.000 0.000 0.267 767 Q C 0.445 176.473 176.000 0.047 0.000 1.053 767 Q CA 0.171 56.076 55.803 0.169 0.000 0.905 767 Q CB 0.820 29.705 28.738 0.246 0.000 1.195 767 Q HN 0.558 nan 8.270 nan 0.000 0.398 768 Q N 1.531 121.348 119.800 0.028 0.000 2.394 768 Q HA 0.457 4.797 4.340 -0.000 0.000 0.248 768 Q C -0.970 175.047 176.000 0.029 0.000 0.992 768 Q CA 0.239 56.067 55.803 0.042 0.000 0.888 768 Q CB 1.235 30.028 28.738 0.091 0.000 1.257 768 Q HN 0.749 nan 8.270 nan 0.000 0.462 769 S N -0.012 115.705 115.700 0.028 0.000 2.575 769 S HA 0.784 5.254 4.470 -0.000 0.000 0.278 769 S C -1.221 173.380 174.600 0.001 0.000 1.139 769 S CA -0.862 57.341 58.200 0.005 0.000 0.954 769 S CB 1.220 64.424 63.200 0.007 0.000 1.054 769 S HN 0.242 nan 8.310 nan 0.000 0.483 770 V N 2.565 122.471 119.914 -0.014 0.000 2.531 770 V HA 0.538 4.658 4.120 -0.000 0.000 0.301 770 V C 0.180 176.263 176.094 -0.018 0.000 1.034 770 V CA -0.665 61.626 62.300 -0.015 0.000 0.865 770 V CB 0.946 32.759 31.823 -0.017 0.000 0.995 770 V HN 1.150 nan 8.190 nan 0.000 0.424 771 E N 3.294 123.486 120.200 -0.013 0.000 2.328 771 E HA -0.285 4.065 4.350 -0.000 0.000 0.233 771 E C 1.311 177.904 176.600 -0.011 0.000 1.219 771 E CA 0.604 56.998 56.400 -0.010 0.000 0.717 771 E CB -1.115 28.579 29.700 -0.010 0.000 1.210 771 E HN 1.520 nan 8.360 nan 0.000 0.381 772 G N -0.235 108.559 108.800 -0.010 0.000 2.205 772 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.269 772 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.269 772 G C 0.262 175.151 174.900 -0.019 0.000 0.977 772 G CA 1.320 46.414 45.100 -0.011 0.000 0.652 772 G HN 0.339 nan 8.290 nan 0.000 0.539 773 K N -0.023 120.361 120.400 -0.027 0.000 2.238 773 K HA 0.584 4.904 4.320 -0.000 0.000 0.239 773 K C 0.856 177.423 176.600 -0.055 0.000 0.987 773 K CA -1.045 55.217 56.287 -0.042 0.000 0.857 773 K CB 1.156 33.627 32.500 -0.048 0.000 1.154 773 K HN 0.386 nan 8.250 nan 0.000 0.439 774 R N 1.000 121.454 120.500 -0.076 0.000 2.615 774 R HA 0.237 4.577 4.340 -0.000 0.000 0.270 774 R C 0.096 176.306 176.300 -0.151 0.000 1.081 774 R CA -0.764 55.278 56.100 -0.098 0.000 1.154 774 R CB 0.040 30.280 30.300 -0.100 0.000 1.063 774 R HN 0.401 nan 8.270 nan 0.000 0.519 775 I N 1.757 122.221 120.570 -0.175 0.000 3.214 775 I HA -0.207 3.963 4.170 -0.000 0.000 0.332 775 I C 1.153 177.121 176.117 -0.247 0.000 1.225 775 I CA 0.726 61.906 61.300 -0.201 0.000 1.453 775 I CB -1.165 36.619 38.000 -0.359 0.000 1.321 775 I HN 0.827 nan 8.210 nan 0.000 0.518 776 A N 8.045 130.768 122.820 -0.162 0.000 2.262 776 A HA 0.412 4.732 4.320 -0.000 0.000 0.273 776 A C -0.039 177.486 177.584 -0.099 0.000 1.202 776 A CA -0.292 51.623 52.037 -0.203 0.000 0.811 776 A CB 0.200 19.151 19.000 -0.083 0.000 1.159 776 A HN 0.585 nan 8.150 nan 0.000 0.505 777 F N 0.430 120.379 119.950 -0.001 0.000 2.384 777 F HA 0.320 4.846 4.527 -0.000 0.000 0.359 777 F C 1.624 177.455 175.800 0.052 0.000 1.143 777 F CA -0.252 57.770 58.000 0.038 0.000 1.216 777 F CB 0.873 39.886 39.000 0.022 0.000 1.512 777 F HN 0.757 nan 8.300 nan 0.000 0.573 778 G N 3.396 112.337 108.800 0.234 0.000 2.404 778 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 778 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 778 G C 0.514 175.379 174.900 -0.058 0.000 1.174 778 G CA 0.141 45.259 45.100 0.029 0.000 0.780 778 G HN 0.316 nan 8.290 nan 0.000 0.537 779 F N -0.082 119.954 119.950 0.142 0.000 2.440 779 F HA 0.339 4.866 4.527 -0.000 0.000 0.323 779 F C 0.825 176.647 175.800 0.037 0.000 1.192 779 F CA -0.814 57.231 58.000 0.075 0.000 1.252 779 F CB 0.900 39.935 39.000 0.059 0.000 1.214 779 F HN -0.250 nan 8.300 nan 0.000 0.578 780 V N 2.837 122.878 119.914 0.212 0.000 2.434 780 V HA -0.072 4.048 4.120 -0.000 0.000 0.281 780 V C 0.093 176.154 176.094 -0.056 0.000 1.005 780 V CA 0.413 62.760 62.300 0.078 0.000 1.089 780 V CB -0.202 31.658 31.823 0.062 0.000 0.978 780 V HN 0.845 nan 8.190 nan 0.000 0.474 781 D N 2.548 122.848 120.400 -0.166 0.000 3.028 781 D HA -0.210 4.430 4.640 -0.000 0.000 0.211 781 D C 0.611 176.069 176.300 -1.403 0.000 1.136 781 D CA 1.906 55.562 54.000 -0.573 0.000 0.987 781 D CB -0.396 40.245 40.800 -0.265 0.000 1.128 781 D HN 0.888 nan 8.370 nan 0.000 0.406 782 R N -2.077 117.909 120.500 -0.857 0.000 2.836 782 R HA 0.710 5.050 4.340 -0.000 0.000 0.269 782 R C 0.592 176.999 176.300 0.178 0.000 1.010 782 R CA -0.816 54.955 56.100 -0.547 0.000 0.930 782 R CB 0.711 30.923 30.300 -0.146 0.000 1.218 782 R HN -0.269 nan 8.270 nan 0.000 0.473 783 T N 0.044 114.875 114.554 0.462 0.000 3.031 783 T HA 0.277 4.627 4.350 -0.000 0.000 0.254 783 T C 0.501 175.673 174.700 0.786 0.000 1.060 783 T CA 0.424 62.901 62.100 0.627 0.000 1.135 783 T CB 0.047 69.154 68.868 0.399 0.000 0.896 783 T HN 0.241 nan 8.240 nan 0.000 0.472 784 L N 0.945 122.598 121.223 0.717 0.000 2.424 784 L HA 0.342 4.682 4.340 -0.000 0.000 0.258 784 L C -2.049 174.761 176.870 -0.099 0.000 0.995 784 L CA -2.284 52.797 54.840 0.401 0.000 0.821 784 L CB 2.807 45.154 42.059 0.479 0.000 1.383 784 L HN -0.232 nan 8.230 nan 0.000 0.410 785 P HA -0.082 nan 4.420 nan 0.000 0.244 785 P C 0.591 177.553 177.300 -0.564 0.000 1.211 785 P CA 1.005 63.697 63.100 -0.679 0.000 0.760 785 P CB -0.040 31.168 31.700 -0.819 0.000 0.961 786 H N -2.083 116.775 119.070 -0.354 0.000 2.622 786 H HA 0.234 4.790 4.556 -0.000 0.000 0.269 786 H C 0.528 175.600 175.328 -0.427 0.000 0.977 786 H CA 0.016 55.813 56.048 -0.418 0.000 1.179 786 H CB 0.130 29.555 29.762 -0.561 0.000 1.458 786 H HN 0.198 nan 8.280 nan 0.000 0.531 787 F N 0.952 120.944 119.950 0.071 0.000 2.483 787 F HA 0.290 4.817 4.527 -0.000 0.000 0.329 787 F C 0.774 176.561 175.800 -0.020 0.000 1.064 787 F CA -1.123 56.910 58.000 0.055 0.000 0.986 787 F CB 1.436 40.498 39.000 0.103 0.000 1.218 787 F HN -0.215 nan 8.300 nan 0.000 0.484 788 S N 0.991 116.824 115.700 0.221 0.000 2.580 788 S HA 0.179 4.649 4.470 -0.000 0.000 0.274 788 S C -0.215 174.396 174.600 0.019 0.000 1.329 788 S CA -0.907 57.343 58.200 0.083 0.000 1.036 788 S CB 0.626 63.873 63.200 0.078 0.000 0.919 788 S HN 0.399 nan 8.310 nan 0.000 0.515 789 K N 1.936 122.312 120.400 -0.040 0.000 2.518 789 K HA -0.038 4.282 4.320 -0.000 0.000 0.276 789 K C -0.334 176.214 176.600 -0.087 0.000 0.974 789 K CA 0.337 56.554 56.287 -0.117 0.000 0.986 789 K CB 0.057 32.506 32.500 -0.085 0.000 0.901 789 K HN 0.599 nan 8.250 nan 0.000 0.497 790 D N 2.403 122.707 120.400 -0.160 0.000 3.400 790 D HA -0.197 4.443 4.640 -0.000 0.000 0.226 790 D C -0.940 175.434 176.300 0.123 0.000 1.152 790 D CA 1.038 55.067 54.000 0.048 0.000 1.008 790 D CB -0.365 40.524 40.800 0.148 0.000 0.866 790 D HN 0.492 nan 8.370 nan 0.000 0.402 791 D N 1.110 121.551 120.400 0.067 0.000 2.402 791 D HA 0.146 4.786 4.640 -0.000 0.000 0.252 791 D C -0.274 176.062 176.300 0.060 0.000 1.294 791 D CA -0.518 53.535 54.000 0.089 0.000 0.948 791 D CB 0.305 41.096 40.800 -0.015 0.000 1.202 791 D HN 0.161 nan 8.370 nan 0.000 0.561 792 Y N 0.869 121.267 120.300 0.162 0.000 2.571 792 Y HA 0.113 4.662 4.550 -0.000 0.000 0.275 792 Y C 1.354 177.331 175.900 0.128 0.000 1.179 792 Y CA -0.392 57.819 58.100 0.184 0.000 1.242 792 Y CB 0.184 38.823 38.460 0.299 0.000 1.126 792 Y HN 0.178 nan 8.280 nan 0.000 0.524 793 S N 0.286 116.077 115.700 0.151 0.000 2.593 793 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 793 S C -1.521 173.082 174.600 0.005 0.000 1.334 793 S CA -1.175 57.073 58.200 0.080 0.000 1.015 793 S CB 1.256 64.490 63.200 0.057 0.000 0.912 793 S HN 0.029 nan 8.310 nan 0.000 0.541 794 P HA -0.176 nan 4.420 nan 0.000 0.214 794 P C 0.945 178.310 177.300 0.108 0.000 1.163 794 P CA 1.594 64.692 63.100 -0.003 0.000 0.889 794 P CB -0.144 31.470 31.700 -0.143 0.000 0.790 795 E N -0.048 120.234 120.200 0.137 0.000 2.209 795 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 795 E C 2.236 178.890 176.600 0.089 0.000 0.993 795 E CA 1.429 57.958 56.400 0.214 0.000 0.819 795 E CB -0.926 28.921 29.700 0.245 0.000 0.745 795 E HN 0.222 nan 8.360 nan 0.000 0.477 796 S N -0.409 115.126 115.700 -0.276 0.000 2.478 796 S HA 0.034 4.504 4.470 -0.000 0.000 0.222 796 S C 1.207 175.475 174.600 -0.553 0.000 1.008 796 S CA 0.342 58.035 58.200 -0.846 0.000 0.928 796 S CB 0.168 62.791 63.200 -0.962 0.000 0.781 796 S HN 0.024 nan 8.310 nan 0.000 0.518 797 K N 0.668 120.855 120.400 -0.356 0.000 2.576 797 K HA 0.279 4.599 4.320 -0.000 0.000 0.209 797 K C 0.418 176.808 176.600 -0.351 0.000 1.049 797 K CA 0.337 56.394 56.287 -0.383 0.000 1.140 797 K CB 0.523 32.863 32.500 -0.267 0.000 0.871 797 K HN 0.395 nan 8.250 nan 0.000 0.479 798 G N 1.997 110.555 108.800 -0.402 0.000 2.203 798 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 798 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 798 G C -0.551 174.423 174.900 0.123 0.000 1.058 798 G CA -0.510 44.495 45.100 -0.158 0.000 0.781 798 G HN 0.357 nan 8.290 nan 0.000 0.496 799 F N 1.701 121.668 119.950 0.028 0.000 2.350 799 F HA 0.596 5.123 4.527 -0.000 0.000 0.365 799 F C 0.421 176.260 175.800 0.064 0.000 1.122 799 F CA -1.091 56.926 58.000 0.027 0.000 1.139 799 F CB 1.325 40.329 39.000 0.008 0.000 1.220 799 F HN 0.048 nan 8.300 nan 0.000 0.499 800 V N 7.569 127.181 119.914 -0.504 0.000 2.415 800 V HA 0.020 4.140 4.120 -0.000 0.000 0.267 800 V C 1.166 176.761 176.094 -0.832 0.000 1.042 800 V CA 0.138 62.152 62.300 -0.477 0.000 1.000 800 V CB 0.916 32.490 31.823 -0.415 0.000 1.015 800 V HN 0.907 nan 8.190 nan 0.000 0.478 801 E N 4.300 124.206 120.200 -0.490 0.000 2.230 801 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 801 E C 0.802 177.274 176.600 -0.213 0.000 0.987 801 E CA 0.188 56.396 56.400 -0.321 0.000 0.841 801 E CB 0.362 30.096 29.700 0.056 0.000 0.783 801 E HN 0.750 nan 8.360 nan 0.000 0.481 802 N N 0.793 119.371 118.700 -0.205 0.000 2.434 802 N HA 0.044 4.784 4.740 -0.000 0.000 0.266 802 N C -0.194 175.181 175.510 -0.225 0.000 1.223 802 N CA 0.177 53.133 53.050 -0.157 0.000 0.972 802 N CB 1.453 39.877 38.487 -0.106 0.000 1.207 802 N HN 0.050 nan 8.380 nan 0.000 0.525 803 S N -0.660 114.943 115.700 -0.160 0.000 2.687 803 S HA 0.259 4.729 4.470 -0.000 0.000 0.283 803 S C 0.931 175.439 174.600 -0.153 0.000 1.170 803 S CA -0.562 57.538 58.200 -0.167 0.000 1.008 803 S CB 0.449 63.611 63.200 -0.064 0.000 1.026 803 S HN 0.535 nan 8.310 nan 0.000 0.541 804 Y N 0.091 120.370 120.300 -0.036 0.000 2.403 804 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 804 Y C 2.115 178.011 175.900 -0.007 0.000 1.143 804 Y CA 0.940 59.034 58.100 -0.010 0.000 1.257 804 Y CB -0.167 38.292 38.460 -0.002 0.000 0.984 804 Y HN 0.630 nan 8.280 nan 0.000 0.550 805 L N 0.210 121.502 121.223 0.115 0.000 2.072 805 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 805 L C 2.170 179.059 176.870 0.032 0.000 1.079 805 L CA 1.639 56.516 54.840 0.062 0.000 0.752 805 L CB -0.347 41.734 42.059 0.038 0.000 0.906 805 L HN -0.032 nan 8.230 nan 0.000 0.436 806 R N -0.183 120.323 120.500 0.010 0.000 2.093 806 R HA 0.294 4.634 4.340 -0.000 0.000 0.224 806 R C 0.457 176.756 176.300 -0.002 0.000 1.101 806 R CA 0.632 56.730 56.100 -0.003 0.000 0.979 806 R CB -0.233 30.055 30.300 -0.019 0.000 0.877 806 R HN 0.533 nan 8.270 nan 0.000 0.441 807 G N -0.082 108.719 108.800 0.001 0.000 2.674 807 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.686 807 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.686 807 G C -1.298 173.594 174.900 -0.014 0.000 1.195 807 G CA -1.110 43.995 45.100 0.008 0.000 0.776 807 G HN -0.030 nan 8.290 nan 0.000 0.654 808 L N 0.919 122.149 121.223 0.012 0.000 2.416 808 L HA 0.836 5.176 4.340 -0.000 0.000 0.262 808 L C 1.557 178.431 176.870 0.006 0.000 1.093 808 L CA 0.056 54.905 54.840 0.015 0.000 0.801 808 L CB 1.468 43.589 42.059 0.103 0.000 1.191 808 L HN 1.076 nan 8.230 nan 0.000 0.459 809 T N -2.517 112.043 114.554 0.009 0.000 2.928 809 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 809 T C -2.035 172.652 174.700 -0.021 0.000 1.008 809 T CA -1.833 60.256 62.100 -0.018 0.000 1.057 809 T CB 1.489 70.349 68.868 -0.013 0.000 1.018 809 T HN 0.346 nan 8.240 nan 0.000 0.493 810 P HA -0.225 nan 4.420 nan 0.000 0.218 810 P C 1.596 178.813 177.300 -0.138 0.000 1.165 810 P CA 1.471 64.513 63.100 -0.096 0.000 0.922 810 P CB 0.006 31.593 31.700 -0.189 0.000 0.794 811 Q N -0.406 119.219 119.800 -0.291 0.000 2.045 811 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 811 Q C 2.183 177.676 176.000 -0.845 0.000 0.991 811 Q CA 1.854 57.321 55.803 -0.560 0.000 0.851 811 Q CB -0.863 27.718 28.738 -0.261 0.000 0.911 811 Q HN 0.432 nan 8.270 nan 0.000 0.418 812 E N -0.554 119.489 120.200 -0.261 0.000 2.077 812 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 812 E C 1.679 178.320 176.600 0.068 0.000 0.989 812 E CA 0.892 57.288 56.400 -0.007 0.000 0.800 812 E CB -0.237 29.504 29.700 0.068 0.000 0.746 812 E HN 0.259 nan 8.360 nan 0.000 0.452 813 F N 0.790 120.710 119.950 -0.048 0.000 2.043 813 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 813 F C 2.024 177.866 175.800 0.069 0.000 1.121 813 F CA 1.572 59.602 58.000 0.050 0.000 1.199 813 F CB -0.455 38.560 39.000 0.026 0.000 0.968 813 F HN -0.021 nan 8.300 nan 0.000 0.478 814 F N -0.301 119.586 119.950 -0.105 0.000 2.365 814 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 814 F C 1.822 177.633 175.800 0.018 0.000 1.090 814 F CA 1.279 59.206 58.000 -0.122 0.000 1.408 814 F CB -0.492 38.478 39.000 -0.049 0.000 1.060 814 F HN 0.023 nan 8.300 nan 0.000 0.534 815 F N -1.780 118.277 119.950 0.178 0.000 2.149 815 F HA -0.160 4.367 4.527 -0.000 0.000 0.294 815 F C 2.609 178.420 175.800 0.018 0.000 1.095 815 F CA 0.745 58.812 58.000 0.112 0.000 1.276 815 F CB -0.832 38.263 39.000 0.159 0.000 1.023 815 F HN -0.029 nan 8.300 nan 0.000 0.480 816 H N 1.184 120.296 119.070 0.070 0.000 2.265 816 H HA -0.201 4.355 4.556 -0.000 0.000 0.295 816 H C 2.166 177.387 175.328 -0.178 0.000 1.084 816 H CA 1.632 57.646 56.048 -0.057 0.000 1.261 816 H CB -0.689 29.021 29.762 -0.086 0.000 1.360 816 H HN 0.160 nan 8.280 nan 0.000 0.487 817 A N 0.458 123.046 122.820 -0.386 0.000 1.986 817 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 817 A C 2.729 180.091 177.584 -0.371 0.000 1.171 817 A CA 2.002 53.724 52.037 -0.525 0.000 0.640 817 A CB -0.794 17.784 19.000 -0.705 0.000 0.811 817 A HN 0.542 nan 8.150 nan 0.000 0.451 818 M N -1.085 118.332 119.600 -0.305 0.000 2.229 818 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 818 M C 2.193 178.432 176.300 -0.103 0.000 1.063 818 M CA 1.367 56.542 55.300 -0.209 0.000 1.114 818 M CB -0.300 32.245 32.600 -0.091 0.000 1.387 818 M HN 0.539 nan 8.290 nan 0.000 0.420 819 G N -0.917 107.853 108.800 -0.050 0.000 2.426 819 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 819 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 819 G C 1.464 176.339 174.900 -0.043 0.000 1.156 819 G CA 0.628 45.721 45.100 -0.011 0.000 0.802 819 G HN 0.536 nan 8.290 nan 0.000 0.534 820 G N 0.676 109.413 108.800 -0.105 0.000 2.432 820 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 820 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 820 G C 1.818 176.639 174.900 -0.132 0.000 1.135 820 G CA 1.130 46.138 45.100 -0.154 0.000 0.767 820 G HN 0.464 nan 8.290 nan 0.000 0.550 821 R N 0.715 121.129 120.500 -0.144 0.000 2.090 821 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 821 R C 2.313 178.568 176.300 -0.075 0.000 1.110 821 R CA 1.705 57.737 56.100 -0.114 0.000 0.973 821 R CB -0.482 29.738 30.300 -0.134 0.000 0.869 821 R HN 0.484 nan 8.270 nan 0.000 0.440 822 E N -0.691 119.471 120.200 -0.063 0.000 2.085 822 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 822 E C 1.775 178.355 176.600 -0.034 0.000 0.994 822 E CA 1.538 57.914 56.400 -0.040 0.000 0.801 822 E CB -0.505 29.178 29.700 -0.029 0.000 0.743 822 E HN 0.487 nan 8.360 nan 0.000 0.453 823 G N 1.651 110.430 108.800 -0.036 0.000 2.553 823 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 823 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 823 G C 1.576 176.457 174.900 -0.033 0.000 1.195 823 G CA 1.266 46.349 45.100 -0.029 0.000 0.779 823 G HN 0.281 nan 8.290 nan 0.000 0.577 824 L N -0.058 121.139 121.223 -0.044 0.000 2.191 824 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 824 L C 2.834 179.684 176.870 -0.034 0.000 1.103 824 L CA 0.442 55.257 54.840 -0.041 0.000 0.769 824 L CB -0.401 41.628 42.059 -0.050 0.000 0.908 824 L HN 0.245 nan 8.230 nan 0.000 0.438 825 I N 0.794 121.344 120.570 -0.033 0.000 2.141 825 I HA -0.274 3.896 4.170 -0.000 0.000 0.236 825 I C 2.030 178.134 176.117 -0.021 0.000 1.071 825 I CA 1.708 62.991 61.300 -0.027 0.000 1.345 825 I CB -0.284 37.700 38.000 -0.028 0.000 1.066 825 I HN 0.371 nan 8.210 nan 0.000 0.406 826 D N -0.836 119.553 120.400 -0.019 0.000 2.392 826 D HA -0.124 4.516 4.640 -0.000 0.000 0.228 826 D C 1.669 177.961 176.300 -0.014 0.000 1.003 826 D CA 0.783 54.775 54.000 -0.014 0.000 0.917 826 D CB -0.476 40.318 40.800 -0.011 0.000 0.890 826 D HN 0.164 nan 8.370 nan 0.000 0.532 827 T N -0.229 114.314 114.554 -0.018 0.000 2.732 827 T HA 0.020 4.370 4.350 -0.000 0.000 0.261 827 T C 2.089 176.778 174.700 -0.018 0.000 1.040 827 T CA 1.450 63.539 62.100 -0.018 0.000 1.145 827 T CB -0.419 68.436 68.868 -0.022 0.000 0.866 827 T HN 0.370 nan 8.240 nan 0.000 0.427 828 A N 0.693 123.502 122.820 -0.019 0.000 2.019 828 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 828 A C 2.422 179.997 177.584 -0.015 0.000 1.164 828 A CA 1.127 53.153 52.037 -0.018 0.000 0.644 828 A CB -0.672 18.316 19.000 -0.019 0.000 0.805 828 A HN 0.375 nan 8.150 nan 0.000 0.449 829 V N -0.610 119.296 119.914 -0.014 0.000 2.331 829 V HA -0.094 4.026 4.120 -0.000 0.000 0.242 829 V C 2.205 178.296 176.094 -0.005 0.000 1.034 829 V CA 1.897 64.190 62.300 -0.011 0.000 1.027 829 V CB -0.565 31.252 31.823 -0.011 0.000 0.667 829 V HN 0.360 nan 8.190 nan 0.000 0.457 830 K N 0.392 120.789 120.400 -0.005 0.000 2.520 830 K HA -0.120 4.200 4.320 -0.000 0.000 0.197 830 K C 1.897 178.496 176.600 -0.003 0.000 1.044 830 K CA 1.398 57.684 56.287 -0.003 0.000 0.938 830 K CB -0.531 31.965 32.500 -0.007 0.000 0.767 830 K HN 0.538 nan 8.250 nan 0.000 0.481 831 T N -1.020 113.531 114.554 -0.004 0.000 2.925 831 T HA 0.092 4.442 4.350 -0.000 0.000 0.245 831 T C 1.801 176.506 174.700 0.008 0.000 1.025 831 T CA 0.803 62.901 62.100 -0.004 0.000 1.149 831 T CB -0.152 68.709 68.868 -0.010 0.000 0.866 831 T HN 0.235 nan 8.240 nan 0.000 0.437 832 A N 1.490 124.314 122.820 0.006 0.000 1.902 832 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 832 A C 2.145 179.753 177.584 0.039 0.000 1.181 832 A CA 1.721 53.765 52.037 0.012 0.000 0.623 832 A CB -0.573 18.420 19.000 -0.011 0.000 0.818 832 A HN 0.533 nan 8.150 nan 0.000 0.443 833 E N -1.156 119.065 120.200 0.034 0.000 2.106 833 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 833 E C 1.907 178.574 176.600 0.112 0.000 0.984 833 E CA 1.441 57.882 56.400 0.069 0.000 0.806 833 E CB -0.004 29.721 29.700 0.042 0.000 0.750 833 E HN 0.610 nan 8.360 nan 0.000 0.458 834 T N -0.660 113.932 114.554 0.064 0.000 2.896 834 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 834 T C 1.733 176.461 174.700 0.047 0.000 1.050 834 T CA 0.849 62.976 62.100 0.044 0.000 1.140 834 T CB -0.303 68.569 68.868 0.007 0.000 0.877 834 T HN 0.320 nan 8.240 nan 0.000 0.457 835 G N 0.265 109.098 108.800 0.054 0.000 2.469 835 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 835 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 835 G C 1.371 176.335 174.900 0.107 0.000 1.136 835 G CA 0.837 45.971 45.100 0.056 0.000 0.759 835 G HN 0.513 nan 8.290 nan 0.000 0.562 836 Y N 1.056 121.361 120.300 0.008 0.000 2.184 836 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 836 Y C 2.609 178.539 175.900 0.051 0.000 1.129 836 Y CA 1.031 59.149 58.100 0.030 0.000 1.144 836 Y CB -0.251 38.224 38.460 0.024 0.000 0.995 836 Y HN 0.174 nan 8.280 nan 0.000 0.513 837 I N 0.105 120.698 120.570 0.037 0.000 2.208 837 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 837 I C 2.669 178.734 176.117 -0.086 0.000 1.097 837 I CA 1.577 62.846 61.300 -0.052 0.000 1.363 837 I CB -0.532 37.479 38.000 0.017 0.000 1.051 837 I HN 0.309 nan 8.210 nan 0.000 0.413 838 Q N 1.011 120.781 119.800 -0.051 0.000 2.077 838 Q HA -0.286 4.054 4.340 -0.000 0.000 0.206 838 Q C 2.377 178.330 176.000 -0.079 0.000 0.989 838 Q CA 1.921 57.685 55.803 -0.066 0.000 0.853 838 Q CB -0.284 28.424 28.738 -0.050 0.000 0.907 838 Q HN 0.443 nan 8.270 nan 0.000 0.418 839 R N 0.021 120.484 120.500 -0.061 0.000 2.066 839 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 839 R C 2.389 178.643 176.300 -0.076 0.000 1.131 839 R CA 1.243 57.319 56.100 -0.040 0.000 0.955 839 R CB -0.087 30.226 30.300 0.022 0.000 0.851 839 R HN 0.188 nan 8.270 nan 0.000 0.432 840 R N 0.381 120.801 120.500 -0.133 0.000 2.094 840 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 840 R C 2.478 178.583 176.300 -0.325 0.000 1.137 840 R CA 1.989 57.982 56.100 -0.178 0.000 0.943 840 R CB -0.568 29.616 30.300 -0.193 0.000 0.850 840 R HN 0.258 nan 8.270 nan 0.000 0.433 841 L N 0.026 121.101 121.223 -0.247 0.000 2.013 841 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 841 L C 2.450 179.149 176.870 -0.284 0.000 1.073 841 L CA 1.210 55.894 54.840 -0.260 0.000 0.753 841 L CB -0.566 41.393 42.059 -0.167 0.000 0.890 841 L HN 0.085 nan 8.230 nan 0.000 0.432 842 V N -0.374 119.413 119.914 -0.211 0.000 2.407 842 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 842 V C 2.554 178.519 176.094 -0.214 0.000 1.055 842 V CA 1.563 63.759 62.300 -0.173 0.000 1.049 842 V CB -0.449 31.311 31.823 -0.104 0.000 0.662 842 V HN 0.377 nan 8.190 nan 0.000 0.455 843 K N -0.099 120.134 120.400 -0.278 0.000 2.228 843 K HA 0.103 4.423 4.320 -0.000 0.000 0.202 843 K C 2.165 178.432 176.600 -0.554 0.000 1.051 843 K CA 1.266 57.378 56.287 -0.292 0.000 0.960 843 K CB -0.482 31.872 32.500 -0.244 0.000 0.743 843 K HN 0.474 nan 8.250 nan 0.000 0.458 844 A N 0.982 123.179 122.820 -1.039 0.000 1.929 844 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 844 A C 2.126 179.384 177.584 -0.543 0.000 1.176 844 A CA 0.945 52.182 52.037 -1.333 0.000 0.628 844 A CB -0.277 17.907 19.000 -1.360 0.000 0.816 844 A HN 0.164 nan 8.150 nan 0.000 0.444 845 L N -1.948 119.047 121.223 -0.379 0.000 2.357 845 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 845 L C 1.938 178.711 176.870 -0.161 0.000 1.075 845 L CA 0.819 55.526 54.840 -0.221 0.000 0.830 845 L CB -0.694 41.259 42.059 -0.177 0.000 0.996 845 L HN 0.527 nan 8.230 nan 0.000 0.467 846 E N 1.622 121.726 120.200 -0.161 0.000 2.914 846 E HA -0.397 3.953 4.350 -0.000 0.000 0.218 846 E C 1.075 177.621 176.600 -0.090 0.000 0.897 846 E CA 2.692 59.026 56.400 -0.110 0.000 1.465 846 E CB -0.400 29.246 29.700 -0.090 0.000 1.468 846 E HN 0.707 nan 8.360 nan 0.000 0.462 847 D N 0.167 120.523 120.400 -0.075 0.000 2.338 847 D HA -0.035 4.605 4.640 -0.000 0.000 0.239 847 D C 0.472 176.735 176.300 -0.061 0.000 1.095 847 D CA 0.257 54.221 54.000 -0.059 0.000 0.888 847 D CB -0.369 40.411 40.800 -0.033 0.000 0.899 847 D HN 0.243 nan 8.370 nan 0.000 0.525 848 I N 1.499 122.020 120.570 -0.082 0.000 2.371 848 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 848 I C 0.549 176.586 176.117 -0.133 0.000 1.028 848 I CA -0.357 60.892 61.300 -0.085 0.000 1.345 848 I CB 0.874 38.821 38.000 -0.090 0.000 1.407 848 I HN -0.002 nan 8.210 nan 0.000 0.501 849 M N 4.852 124.362 119.600 -0.150 0.000 2.664 849 M HA 0.595 5.075 4.480 -0.000 0.000 0.279 849 M C -1.504 174.644 176.300 -0.254 0.000 1.275 849 M CA -0.986 54.165 55.300 -0.247 0.000 0.829 849 M CB 2.060 34.484 32.600 -0.295 0.000 1.727 849 M HN 0.025 nan 8.290 nan 0.000 0.459 850 V N 2.886 122.610 119.914 -0.316 0.000 2.427 850 V HA 0.244 4.364 4.120 -0.000 0.000 0.268 850 V C 0.321 176.259 176.094 -0.260 0.000 1.046 850 V CA -0.142 62.014 62.300 -0.242 0.000 0.970 850 V CB -0.314 31.349 31.823 -0.268 0.000 1.001 850 V HN 0.710 nan 8.190 nan 0.000 0.476 851 H N 3.276 122.267 119.070 -0.130 0.000 2.437 851 H HA 0.175 4.731 4.556 -0.000 0.000 0.338 851 H C 0.394 175.653 175.328 -0.115 0.000 1.495 851 H CA -0.079 55.910 56.048 -0.099 0.000 1.453 851 H CB 0.950 30.705 29.762 -0.011 0.000 1.707 851 H HN 0.589 nan 8.280 nan 0.000 0.655 852 Y N 0.404 120.800 120.300 0.159 0.000 2.574 852 Y HA -0.143 4.407 4.550 -0.000 0.000 0.294 852 Y C 1.570 177.507 175.900 0.062 0.000 1.142 852 Y CA 0.888 59.036 58.100 0.081 0.000 1.314 852 Y CB 0.152 38.657 38.460 0.075 0.000 0.991 852 Y HN 0.559 nan 8.280 nan 0.000 0.555 853 D N -2.141 118.370 120.400 0.186 0.000 2.342 853 D HA -0.042 4.598 4.640 -0.000 0.000 0.221 853 D C 0.307 176.665 176.300 0.097 0.000 1.101 853 D CA 0.085 54.160 54.000 0.126 0.000 0.837 853 D CB -0.591 40.273 40.800 0.106 0.000 0.938 853 D HN 0.169 nan 8.370 nan 0.000 0.508 854 N N -0.662 118.083 118.700 0.075 0.000 2.815 854 N HA -0.179 4.561 4.740 -0.000 0.000 0.247 854 N C -0.134 175.426 175.510 0.083 0.000 1.030 854 N CA 1.176 54.264 53.050 0.063 0.000 0.881 854 N CB -1.453 37.071 38.487 0.063 0.000 1.134 854 N HN 0.350 nan 8.380 nan 0.000 0.582 855 T N -0.006 114.596 114.554 0.080 0.000 2.788 855 T HA 0.308 4.658 4.350 -0.000 0.000 0.287 855 T C 0.203 174.920 174.700 0.029 0.000 1.007 855 T CA 0.551 62.680 62.100 0.048 0.000 1.005 855 T CB 0.740 69.619 68.868 0.018 0.000 1.012 855 T HN 0.107 nan 8.240 nan 0.000 0.530 856 T N 3.892 118.431 114.554 -0.025 0.000 2.963 856 T HA 0.481 4.831 4.350 -0.000 0.000 0.328 856 T C -0.554 174.119 174.700 -0.046 0.000 1.048 856 T CA -0.657 61.426 62.100 -0.028 0.000 1.033 856 T CB 0.510 69.360 68.868 -0.030 0.000 1.010 856 T HN 0.491 nan 8.240 nan 0.000 0.469 857 R N 2.085 122.615 120.500 0.049 0.000 2.892 857 R HA 0.572 4.912 4.340 -0.000 0.000 0.265 857 R C 0.376 176.702 176.300 0.044 0.000 1.025 857 R CA -1.166 54.932 56.100 -0.003 0.000 0.982 857 R CB 1.671 31.913 30.300 -0.096 0.000 1.185 857 R HN 0.696 nan 8.270 nan 0.000 0.484 858 N N -0.971 117.727 118.700 -0.004 0.000 2.495 858 N HA 0.027 4.767 4.740 -0.000 0.000 0.294 858 N C 0.804 176.334 175.510 0.035 0.000 1.276 858 N CA -0.313 52.741 53.050 0.007 0.000 0.973 858 N CB 0.615 39.090 38.487 -0.020 0.000 1.143 858 N HN 0.542 nan 8.380 nan 0.000 0.589 859 S N -0.013 115.700 115.700 0.022 0.000 2.382 859 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 859 S C 1.893 176.496 174.600 0.005 0.000 1.027 859 S CA 0.647 58.862 58.200 0.026 0.000 0.991 859 S CB -0.834 62.373 63.200 0.012 0.000 0.823 859 S HN 0.543 nan 8.310 nan 0.000 0.469 860 L N 1.091 122.309 121.223 -0.008 0.000 2.353 860 L HA 0.101 4.441 4.340 -0.000 0.000 0.220 860 L C 2.204 179.051 176.870 -0.038 0.000 1.133 860 L CA 0.753 55.582 54.840 -0.018 0.000 0.798 860 L CB -0.929 41.121 42.059 -0.015 0.000 0.922 860 L HN 0.707 nan 8.230 nan 0.000 0.445 861 G N -0.743 108.023 108.800 -0.056 0.000 2.179 861 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 861 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 861 G C 0.092 174.930 174.900 -0.104 0.000 0.977 861 G CA -0.040 44.993 45.100 -0.112 0.000 0.641 861 G HN 0.362 nan 8.290 nan 0.000 0.533 862 N N 0.930 119.586 118.700 -0.073 0.000 2.434 862 N HA 0.261 5.001 4.740 -0.000 0.000 0.268 862 N C 0.865 176.300 175.510 -0.125 0.000 1.256 862 N CA 0.212 53.216 53.050 -0.076 0.000 0.914 862 N CB 1.223 39.681 38.487 -0.047 0.000 1.088 862 N HN 0.218 nan 8.380 nan 0.000 0.478 863 V N 3.800 123.601 119.914 -0.189 0.000 2.720 863 V HA -0.069 4.051 4.120 -0.000 0.000 0.307 863 V C 1.743 177.645 176.094 -0.320 0.000 1.071 863 V CA 0.677 62.768 62.300 -0.349 0.000 1.199 863 V CB 0.246 31.649 31.823 -0.700 0.000 0.900 863 V HN 0.609 nan 8.190 nan 0.000 0.494 864 I N 2.283 122.682 120.570 -0.285 0.000 3.971 864 I HA 0.179 4.349 4.170 -0.000 0.000 0.303 864 I C 0.625 176.635 176.117 -0.179 0.000 1.233 864 I CA 0.368 61.557 61.300 -0.184 0.000 1.346 864 I CB 0.478 38.417 38.000 -0.103 0.000 1.273 864 I HN 0.579 nan 8.210 nan 0.000 0.448 865 Q N -0.075 119.602 119.800 -0.204 0.000 2.263 865 Q HA 0.309 4.649 4.340 -0.000 0.000 0.266 865 Q C -0.549 175.382 176.000 -0.115 0.000 1.002 865 Q CA -0.473 55.279 55.803 -0.085 0.000 0.790 865 Q CB 2.135 30.899 28.738 0.044 0.000 1.272 865 Q HN 0.083 nan 8.270 nan 0.000 0.435 866 F N 1.391 121.367 119.950 0.043 0.000 2.641 866 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 866 F C 0.568 176.399 175.800 0.052 0.000 1.146 866 F CA 0.831 58.855 58.000 0.040 0.000 1.464 866 F CB 0.319 39.336 39.000 0.029 0.000 1.101 866 F HN 0.348 nan 8.300 nan 0.000 0.585 867 I N -2.034 118.662 120.570 0.209 0.000 2.680 867 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 867 I C -1.082 175.139 176.117 0.172 0.000 1.244 867 I CA -1.308 60.090 61.300 0.163 0.000 1.042 867 I CB 1.366 39.447 38.000 0.134 0.000 1.277 867 I HN -0.332 nan 8.210 nan 0.000 0.423 868 Y N 5.355 125.667 120.300 0.020 0.000 2.650 868 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 868 Y C 1.322 177.228 175.900 0.009 0.000 1.165 868 Y CA 0.760 58.859 58.100 -0.002 0.000 1.473 868 Y CB 0.226 38.675 38.460 -0.019 0.000 1.224 868 Y HN 0.850 nan 8.280 nan 0.000 0.533 869 G N 4.796 113.475 108.800 -0.201 0.000 2.203 869 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.263 869 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.263 869 G C 0.442 175.308 174.900 -0.057 0.000 1.012 869 G CA 0.622 45.550 45.100 -0.287 0.000 0.749 869 G HN 0.950 nan 8.290 nan 0.000 0.512 870 E N -1.910 118.300 120.200 0.017 0.000 3.496 870 E HA -0.306 4.043 4.350 -0.000 0.000 0.300 870 E C 0.829 177.446 176.600 0.027 0.000 0.877 870 E CA 1.432 57.861 56.400 0.049 0.000 1.050 870 E CB -1.026 28.710 29.700 0.060 0.000 1.532 870 E HN 0.876 nan 8.360 nan 0.000 0.447 871 D N -1.608 118.795 120.400 0.005 0.000 2.460 871 D HA 0.158 4.798 4.640 -0.000 0.000 0.263 871 D C 1.109 177.421 176.300 0.020 0.000 1.209 871 D CA 0.482 54.498 54.000 0.026 0.000 0.818 871 D CB -0.261 40.554 40.800 0.025 0.000 1.239 871 D HN 0.283 nan 8.370 nan 0.000 0.530 872 G N 0.943 109.752 108.800 0.014 0.000 2.225 872 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 872 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 872 G C -0.138 174.757 174.900 -0.008 0.000 1.024 872 G CA 0.719 45.848 45.100 0.049 0.000 0.784 872 G HN 0.369 nan 8.290 nan 0.000 0.507 873 M N 1.060 120.619 119.600 -0.068 0.000 2.300 873 M HA 0.394 4.874 4.480 -0.000 0.000 0.348 873 M C 0.014 176.290 176.300 -0.039 0.000 1.151 873 M CA -1.356 53.894 55.300 -0.083 0.000 1.046 873 M CB 1.331 33.876 32.600 -0.092 0.000 1.647 873 M HN 0.197 nan 8.290 nan 0.000 0.451 874 D N 3.390 123.829 120.400 0.064 0.000 2.339 874 D HA 0.180 4.820 4.640 -0.000 0.000 0.256 874 D C 0.771 177.127 176.300 0.092 0.000 1.214 874 D CA 0.294 54.385 54.000 0.153 0.000 0.877 874 D CB 1.236 42.187 40.800 0.251 0.000 1.111 874 D HN 0.817 nan 8.370 nan 0.000 0.478 875 A N 4.721 127.569 122.820 0.047 0.000 1.923 875 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 875 A C 2.156 179.759 177.584 0.031 0.000 1.258 875 A CA 2.717 54.767 52.037 0.022 0.000 0.670 875 A CB -0.870 18.164 19.000 0.058 0.000 0.834 875 A HN 0.738 nan 8.150 nan 0.000 0.470 876 A N -2.096 120.701 122.820 -0.038 0.000 1.972 876 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 876 A C 1.661 179.151 177.584 -0.158 0.000 1.169 876 A CA 1.333 53.280 52.037 -0.150 0.000 0.635 876 A CB -0.730 18.088 19.000 -0.303 0.000 0.810 876 A HN 0.703 nan 8.150 nan 0.000 0.446 877 H N -1.050 118.037 119.070 0.030 0.000 2.645 877 H HA 0.397 4.953 4.556 -0.000 0.000 0.300 877 H C -0.499 174.857 175.328 0.046 0.000 1.065 877 H CA 0.181 56.249 56.048 0.033 0.000 1.173 877 H CB -0.269 29.484 29.762 -0.014 0.000 1.383 877 H HN 0.351 nan 8.280 nan 0.000 0.566 878 I N 0.927 121.588 120.570 0.153 0.000 2.608 878 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 878 I C -0.364 175.843 176.117 0.149 0.000 1.049 878 I CA -0.561 60.819 61.300 0.133 0.000 1.063 878 I CB 2.667 40.737 38.000 0.116 0.000 1.248 878 I HN 0.056 nan 8.210 nan 0.000 0.424 879 E N 3.639 123.905 120.200 0.110 0.000 2.408 879 E HA 0.317 4.667 4.350 -0.000 0.000 0.275 879 E C -1.326 175.302 176.600 0.047 0.000 0.935 879 E CA -1.109 55.326 56.400 0.059 0.000 0.775 879 E CB 2.493 32.168 29.700 -0.041 0.000 1.277 879 E HN 0.295 nan 8.360 nan 0.000 0.455 880 K N 2.276 122.676 120.400 -0.000 0.000 2.278 880 K HA 0.104 4.424 4.320 -0.000 0.000 0.289 880 K C -0.752 175.825 176.600 -0.038 0.000 1.080 880 K CA 0.255 56.521 56.287 -0.035 0.000 0.934 880 K CB 0.276 32.714 32.500 -0.104 0.000 1.093 880 K HN 0.323 nan 8.250 nan 0.000 0.459 881 Q N 1.222 121.022 119.800 0.000 0.000 2.351 881 Q HA 0.291 4.631 4.340 -0.000 0.000 0.273 881 Q C -0.679 175.314 176.000 -0.011 0.000 1.077 881 Q CA -1.086 54.722 55.803 0.009 0.000 0.843 881 Q CB 1.985 30.761 28.738 0.063 0.000 1.367 881 Q HN 0.610 nan 8.270 nan 0.000 0.449 882 S N 0.822 116.514 115.700 -0.013 0.000 2.499 882 S HA 0.461 4.931 4.470 -0.000 0.000 0.279 882 S C -0.269 174.343 174.600 0.021 0.000 1.219 882 S CA -0.792 57.393 58.200 -0.026 0.000 1.062 882 S CB 0.249 63.428 63.200 -0.035 0.000 0.978 882 S HN 0.478 nan 8.310 nan 0.000 0.489 883 L N 3.388 124.627 121.223 0.026 0.000 2.334 883 L HA 0.281 4.621 4.340 -0.000 0.000 0.286 883 L C 0.412 177.325 176.870 0.072 0.000 1.108 883 L CA -0.484 54.390 54.840 0.056 0.000 0.875 883 L CB 0.104 42.200 42.059 0.062 0.000 1.246 883 L HN 0.687 nan 8.230 nan 0.000 0.439 884 D N 0.707 121.173 120.400 0.109 0.000 2.392 884 D HA -0.085 4.555 4.640 -0.000 0.000 0.228 884 D C 1.519 177.960 176.300 0.234 0.000 1.003 884 D CA 0.819 54.917 54.000 0.163 0.000 0.917 884 D CB 0.249 41.163 40.800 0.191 0.000 0.890 884 D HN 0.504 nan 8.370 nan 0.000 0.532 885 T N 0.127 114.782 114.554 0.167 0.000 3.081 885 T HA 0.147 4.497 4.350 -0.000 0.000 0.255 885 T C 1.986 176.738 174.700 0.087 0.000 1.113 885 T CA -0.015 62.169 62.100 0.140 0.000 1.082 885 T CB 0.604 69.504 68.868 0.052 0.000 0.939 885 T HN 0.185 nan 8.240 nan 0.000 0.506 886 I N 0.322 120.944 120.570 0.087 0.000 2.499 886 I HA 0.206 4.376 4.170 -0.000 0.000 0.243 886 I C 1.874 178.059 176.117 0.114 0.000 1.085 886 I CA 0.131 61.475 61.300 0.073 0.000 1.422 886 I CB -0.403 37.628 38.000 0.051 0.000 1.165 886 I HN 0.211 nan 8.210 nan 0.000 0.440 887 G N 0.058 108.916 108.800 0.097 0.000 2.653 887 G HA2 0.414 4.374 3.960 -0.000 0.000 0.265 887 G HA3 0.414 4.374 3.960 -0.000 0.000 0.265 887 G C 0.074 175.064 174.900 0.150 0.000 1.237 887 G CA 0.452 45.622 45.100 0.118 0.000 0.946 887 G HN 0.617 nan 8.290 nan 0.000 0.522 888 G N -1.529 107.353 108.800 0.137 0.000 2.787 888 G HA2 0.243 4.203 3.960 -0.000 0.000 0.685 888 G HA3 0.243 4.203 3.960 -0.000 0.000 0.685 888 G C 0.261 175.229 174.900 0.114 0.000 1.437 888 G CA 0.244 45.418 45.100 0.122 0.000 0.872 888 G HN 1.999 nan 8.290 nan 0.000 0.566 889 S N -0.011 115.745 115.700 0.093 0.000 2.584 889 S HA 0.340 4.810 4.470 -0.000 0.000 0.270 889 S C 1.074 175.732 174.600 0.097 0.000 1.346 889 S CA 0.478 58.720 58.200 0.070 0.000 1.018 889 S CB 1.486 64.719 63.200 0.055 0.000 0.899 889 S HN 0.615 nan 8.310 nan 0.000 0.542 890 D N 1.448 121.881 120.400 0.055 0.000 2.221 890 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 890 D C 2.025 178.419 176.300 0.156 0.000 0.982 890 D CA 1.576 55.621 54.000 0.074 0.000 0.857 890 D CB -0.378 40.434 40.800 0.020 0.000 0.934 890 D HN 0.729 nan 8.370 nan 0.000 0.475 891 A N 0.986 123.874 122.820 0.113 0.000 1.897 891 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 891 A C 2.344 180.000 177.584 0.120 0.000 1.181 891 A CA 1.700 53.797 52.037 0.101 0.000 0.620 891 A CB -0.491 18.547 19.000 0.063 0.000 0.821 891 A HN 0.222 nan 8.150 nan 0.000 0.443 892 A N -1.140 121.759 122.820 0.131 0.000 1.898 892 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 892 A C 2.046 179.743 177.584 0.189 0.000 1.181 892 A CA 1.510 53.621 52.037 0.124 0.000 0.620 892 A CB -0.756 18.310 19.000 0.110 0.000 0.819 892 A HN 0.709 nan 8.150 nan 0.000 0.442 893 F N 0.648 120.671 119.950 0.121 0.000 2.269 893 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 893 F C 2.083 178.044 175.800 0.267 0.000 1.082 893 F CA 2.021 60.149 58.000 0.214 0.000 1.360 893 F CB 0.029 39.090 39.000 0.102 0.000 1.041 893 F HN 0.424 nan 8.300 nan 0.000 0.512 894 E N 0.076 120.450 120.200 0.290 0.000 2.122 894 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 894 E C 1.941 178.543 176.600 0.004 0.000 0.977 894 E CA 0.566 57.075 56.400 0.183 0.000 0.820 894 E CB -0.018 29.777 29.700 0.158 0.000 0.770 894 E HN 0.361 nan 8.360 nan 0.000 0.462 895 K N 0.095 120.493 120.400 -0.004 0.000 2.439 895 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 895 K C 2.081 178.627 176.600 -0.091 0.000 1.041 895 K CA 0.405 56.656 56.287 -0.061 0.000 0.970 895 K CB 0.177 32.663 32.500 -0.023 0.000 0.773 895 K HN -0.015 nan 8.250 nan 0.000 0.479 896 R N -0.855 119.580 120.500 -0.108 0.000 2.140 896 R HA 0.030 4.370 4.340 -0.000 0.000 0.200 896 R C 1.020 177.090 176.300 -0.384 0.000 1.069 896 R CA 0.621 56.559 56.100 -0.269 0.000 1.088 896 R CB 0.263 30.353 30.300 -0.349 0.000 1.012 896 R HN 0.124 nan 8.270 nan 0.000 0.500 897 Y N -0.207 119.948 120.300 -0.240 0.000 2.458 897 Y HA 0.288 4.838 4.550 -0.000 0.000 0.254 897 Y C 0.398 176.289 175.900 -0.016 0.000 1.120 897 Y CA -0.324 57.652 58.100 -0.207 0.000 1.282 897 Y CB 0.397 38.568 38.460 -0.482 0.000 1.109 897 Y HN -0.173 nan 8.280 nan 0.000 0.526 898 R N 1.449 122.009 120.500 0.099 0.000 2.267 898 R HA 0.427 4.767 4.340 -0.000 0.000 0.319 898 R C -1.535 174.692 176.300 -0.121 0.000 1.067 898 R CA -0.376 55.666 56.100 -0.096 0.000 0.936 898 R CB 0.208 30.314 30.300 -0.324 0.000 1.006 898 R HN -0.103 nan 8.270 nan 0.000 0.452 899 V N 4.734 124.583 119.914 -0.107 0.000 2.443 899 V HA 0.304 4.424 4.120 -0.000 0.000 0.293 899 V C -0.834 175.209 176.094 -0.086 0.000 1.021 899 V CA -0.881 61.376 62.300 -0.072 0.000 0.848 899 V CB 1.710 33.510 31.823 -0.037 0.000 0.998 899 V HN 0.657 nan 8.190 nan 0.000 0.424 900 D N 3.928 124.292 120.400 -0.059 0.000 2.453 900 D HA 0.434 5.074 4.640 -0.000 0.000 0.238 900 D C 0.694 176.985 176.300 -0.015 0.000 1.088 900 D CA -0.326 53.647 54.000 -0.044 0.000 0.854 900 D CB 1.843 42.624 40.800 -0.031 0.000 1.076 900 D HN 0.416 nan 8.370 nan 0.000 0.533 901 L N 2.762 123.973 121.223 -0.022 0.000 2.478 901 L HA 0.102 4.442 4.340 -0.000 0.000 0.223 901 L C 1.063 177.924 176.870 -0.017 0.000 1.140 901 L CA 0.565 55.394 54.840 -0.018 0.000 0.842 901 L CB -0.053 41.994 42.059 -0.020 0.000 0.953 901 L HN 0.314 nan 8.230 nan 0.000 0.452 902 L N 0.523 121.736 121.223 -0.017 0.000 2.783 902 L HA 0.322 4.662 4.340 -0.000 0.000 0.235 902 L C -0.454 176.407 176.870 -0.014 0.000 1.260 902 L CA -0.115 54.715 54.840 -0.016 0.000 1.184 902 L CB -0.452 41.598 42.059 -0.016 0.000 1.472 902 L HN 0.164 nan 8.230 nan 0.000 0.426 903 N N -0.780 117.910 118.700 -0.016 0.000 3.987 903 N HA -0.025 4.715 4.740 -0.000 0.000 0.170 903 N C 0.667 176.150 175.510 -0.044 0.000 1.436 903 N CA 0.045 53.081 53.050 -0.024 0.000 0.843 903 N CB 0.570 39.060 38.487 0.005 0.000 1.734 903 N HN 0.064 nan 8.380 nan 0.000 0.746 904 T N 0.120 114.642 114.554 -0.053 0.000 2.774 904 T HA -0.215 4.135 4.350 -0.000 0.000 0.264 904 T C 0.770 175.416 174.700 -0.091 0.000 1.037 904 T CA 1.905 63.969 62.100 -0.061 0.000 1.152 904 T CB -0.147 68.687 68.868 -0.056 0.000 0.842 904 T HN 0.529 nan 8.240 nan 0.000 0.483 905 D N -0.547 119.754 120.400 -0.166 0.000 2.333 905 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 905 D C 0.959 177.068 176.300 -0.319 0.000 0.984 905 D CA 0.682 54.516 54.000 -0.276 0.000 0.873 905 D CB 0.084 40.644 40.800 -0.401 0.000 0.935 905 D HN 0.462 nan 8.370 nan 0.000 0.521 906 H N -0.367 118.679 119.070 -0.040 0.000 2.492 906 H HA 0.292 4.848 4.556 -0.000 0.000 0.264 906 H C 0.048 175.343 175.328 -0.054 0.000 1.150 906 H CA -0.100 55.919 56.048 -0.050 0.000 0.962 906 H CB 0.240 29.966 29.762 -0.060 0.000 1.766 906 H HN -0.135 nan 8.280 nan 0.000 0.589 907 T N 0.662 115.242 114.554 0.043 0.000 2.936 907 T HA 0.364 4.713 4.350 -0.000 0.000 0.282 907 T C 0.832 175.531 174.700 -0.001 0.000 1.003 907 T CA -0.770 61.335 62.100 0.010 0.000 1.005 907 T CB 1.553 70.417 68.868 -0.008 0.000 1.097 907 T HN 0.115 nan 8.240 nan 0.000 0.532 908 L N 2.530 123.744 121.223 -0.015 0.000 2.562 908 L HA 0.078 4.418 4.340 -0.000 0.000 0.271 908 L C 1.033 177.892 176.870 -0.019 0.000 1.167 908 L CA -0.148 54.679 54.840 -0.022 0.000 0.917 908 L CB -0.001 42.040 42.059 -0.029 0.000 1.187 908 L HN 0.623 nan 8.230 nan 0.000 0.482 909 D N 6.872 127.262 120.400 -0.017 0.000 2.493 909 D HA -0.003 4.637 4.640 -0.000 0.000 0.240 909 D C -1.439 174.851 176.300 -0.016 0.000 1.142 909 D CA -1.058 52.933 54.000 -0.016 0.000 0.872 909 D CB 1.475 42.266 40.800 -0.014 0.000 1.173 909 D HN 0.335 nan 8.370 nan 0.000 0.467 910 P HA -0.095 nan 4.420 nan 0.000 0.236 910 P C 1.002 178.296 177.300 -0.011 0.000 1.172 910 P CA 0.482 63.573 63.100 -0.014 0.000 0.759 910 P CB 0.093 31.785 31.700 -0.014 0.000 0.843 911 S N -0.831 114.864 115.700 -0.008 0.000 2.439 911 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 911 S C 1.902 176.501 174.600 -0.001 0.000 1.029 911 S CA 0.200 58.398 58.200 -0.003 0.000 0.946 911 S CB -1.218 61.983 63.200 0.001 0.000 0.797 911 S HN 0.085 nan 8.310 nan 0.000 0.504 912 L N 0.240 121.460 121.223 -0.006 0.000 2.049 912 L HA 0.293 4.633 4.340 -0.000 0.000 0.203 912 L C 1.116 177.977 176.870 -0.015 0.000 1.074 912 L CA 0.362 55.198 54.840 -0.006 0.000 0.749 912 L CB -0.616 41.434 42.059 -0.014 0.000 0.907 912 L HN 0.313 nan 8.230 nan 0.000 0.439 913 L N -0.129 121.080 121.223 -0.023 0.000 2.360 913 L HA 0.174 4.514 4.340 -0.000 0.000 0.271 913 L C 1.033 177.888 176.870 -0.024 0.000 1.057 913 L CA 0.165 54.987 54.840 -0.030 0.000 0.803 913 L CB 1.147 43.183 42.059 -0.038 0.000 1.207 913 L HN 0.108 nan 8.230 nan 0.000 0.445 914 E N 0.381 120.565 120.200 -0.027 0.000 2.076 914 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 914 E C 0.789 177.377 176.600 -0.020 0.000 0.979 914 E CA 1.050 57.438 56.400 -0.021 0.000 0.807 914 E CB 0.196 29.883 29.700 -0.022 0.000 0.761 914 E HN 0.807 nan 8.360 nan 0.000 0.454 915 S N -0.315 115.370 115.700 -0.025 0.000 2.767 915 S HA 0.194 4.663 4.470 -0.000 0.000 0.253 915 S C 1.392 175.979 174.600 -0.023 0.000 1.082 915 S CA -0.052 58.134 58.200 -0.023 0.000 1.148 915 S CB 0.550 63.735 63.200 -0.025 0.000 0.808 915 S HN 0.333 nan 8.310 nan 0.000 0.466 916 G N 2.707 111.494 108.800 -0.021 0.000 2.442 916 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 916 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 916 G C 1.606 176.495 174.900 -0.019 0.000 1.141 916 G CA 1.091 46.178 45.100 -0.021 0.000 0.763 916 G HN 0.746 nan 8.290 nan 0.000 0.554 917 S N 1.060 116.750 115.700 -0.017 0.000 2.421 917 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 917 S C 1.913 176.503 174.600 -0.015 0.000 1.035 917 S CA 1.071 59.262 58.200 -0.015 0.000 0.953 917 S CB -0.234 62.958 63.200 -0.014 0.000 0.810 917 S HN 0.709 nan 8.310 nan 0.000 0.497 918 E N 0.977 121.168 120.200 -0.015 0.000 2.511 918 E HA 0.168 4.518 4.350 -0.000 0.000 0.196 918 E C 1.453 178.043 176.600 -0.016 0.000 1.066 918 E CA 0.323 56.714 56.400 -0.015 0.000 0.871 918 E CB -0.399 29.292 29.700 -0.014 0.000 0.863 918 E HN 0.569 nan 8.360 nan 0.000 0.520 919 I N 0.422 120.981 120.570 -0.018 0.000 3.039 919 I HA 0.021 4.191 4.170 -0.000 0.000 0.270 919 I C 1.142 177.248 176.117 -0.018 0.000 1.150 919 I CA -0.333 60.956 61.300 -0.019 0.000 1.448 919 I CB 0.365 38.352 38.000 -0.023 0.000 1.197 919 I HN 0.158 nan 8.210 nan 0.000 0.450 920 L N 2.974 124.187 121.223 -0.018 0.000 2.894 920 L HA -0.076 4.264 4.340 -0.000 0.000 0.286 920 L C 0.868 177.728 176.870 -0.017 0.000 1.077 920 L CA 0.970 55.799 54.840 -0.018 0.000 1.070 920 L CB -0.462 41.587 42.059 -0.018 0.000 1.470 920 L HN 0.564 nan 8.230 nan 0.000 0.452 921 G N 2.149 110.939 108.800 -0.016 0.000 2.148 921 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.203 921 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.203 921 G C 0.002 174.893 174.900 -0.014 0.000 0.993 921 G CA -0.048 45.043 45.100 -0.015 0.000 0.661 921 G HN 0.650 nan 8.290 nan 0.000 0.518 922 D N 0.336 120.728 120.400 -0.014 0.000 2.348 922 D HA 0.374 5.014 4.640 -0.000 0.000 0.253 922 D C 1.610 177.902 176.300 -0.012 0.000 1.161 922 D CA -0.317 53.675 54.000 -0.013 0.000 0.876 922 D CB 1.003 41.794 40.800 -0.014 0.000 1.160 922 D HN 0.131 nan 8.370 nan 0.000 0.459 923 L N 3.610 124.826 121.223 -0.011 0.000 2.162 923 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 923 L C 2.246 179.111 176.870 -0.008 0.000 1.086 923 L CA 0.615 55.450 54.840 -0.009 0.000 0.778 923 L CB 0.081 42.135 42.059 -0.008 0.000 0.928 923 L HN 0.340 nan 8.230 nan 0.000 0.446 924 K N -0.090 120.305 120.400 -0.008 0.000 2.217 924 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 924 K C 1.974 178.569 176.600 -0.008 0.000 1.051 924 K CA 0.915 57.198 56.287 -0.007 0.000 0.952 924 K CB 0.046 32.542 32.500 -0.007 0.000 0.736 924 K HN 0.256 nan 8.250 nan 0.000 0.453 925 L N 0.613 121.829 121.223 -0.010 0.000 2.072 925 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 925 L C 2.407 179.272 176.870 -0.009 0.000 1.079 925 L CA 0.795 55.628 54.840 -0.012 0.000 0.752 925 L CB -0.362 41.687 42.059 -0.016 0.000 0.906 925 L HN 0.152 nan 8.230 nan 0.000 0.436 926 Q N -0.009 119.785 119.800 -0.010 0.000 2.364 926 Q HA -0.116 4.224 4.340 -0.000 0.000 0.209 926 Q C 2.319 178.317 176.000 -0.003 0.000 0.977 926 Q CA 0.976 56.773 55.803 -0.010 0.000 0.885 926 Q CB -0.191 28.538 28.738 -0.014 0.000 0.941 926 Q HN 0.378 nan 8.270 nan 0.000 0.464 927 V N 0.561 120.474 119.914 -0.001 0.000 2.490 927 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 927 V C 2.216 178.315 176.094 0.009 0.000 1.061 927 V CA 1.314 63.617 62.300 0.003 0.000 1.064 927 V CB -0.356 31.468 31.823 0.001 0.000 0.670 927 V HN 0.285 nan 8.190 nan 0.000 0.461 928 L N -1.343 119.884 121.223 0.007 0.000 2.145 928 L HA -0.013 4.327 4.340 -0.000 0.000 0.201 928 L C 2.356 179.240 176.870 0.024 0.000 1.075 928 L CA 0.644 55.491 54.840 0.012 0.000 0.773 928 L CB -0.467 41.594 42.059 0.004 0.000 0.936 928 L HN 0.228 nan 8.230 nan 0.000 0.451 929 L N 0.070 121.305 121.223 0.020 0.000 2.129 929 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 929 L C 2.160 179.072 176.870 0.071 0.000 1.087 929 L CA 1.778 56.639 54.840 0.036 0.000 0.757 929 L CB -1.305 40.760 42.059 0.009 0.000 0.896 929 L HN 0.322 nan 8.230 nan 0.000 0.434 930 D N -0.109 120.321 120.400 0.051 0.000 2.097 930 D HA -0.160 4.479 4.640 -0.000 0.000 0.195 930 D C 2.192 178.553 176.300 0.102 0.000 0.989 930 D CA 1.004 55.051 54.000 0.078 0.000 0.827 930 D CB 0.030 40.855 40.800 0.042 0.000 0.966 930 D HN 0.384 nan 8.370 nan 0.000 0.456 931 E N 0.364 120.600 120.200 0.061 0.000 2.110 931 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 931 E C 1.943 178.573 176.600 0.049 0.000 0.988 931 E CA 0.659 57.086 56.400 0.045 0.000 0.804 931 E CB 0.046 29.761 29.700 0.024 0.000 0.745 931 E HN 0.395 nan 8.360 nan 0.000 0.458 932 E N 0.248 120.486 120.200 0.063 0.000 2.015 932 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 932 E C 1.960 178.609 176.600 0.080 0.000 0.991 932 E CA 0.929 57.366 56.400 0.063 0.000 0.802 932 E CB -0.191 29.552 29.700 0.071 0.000 0.759 932 E HN 0.269 nan 8.360 nan 0.000 0.447 933 Y N 1.289 121.593 120.300 0.006 0.000 2.274 933 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 933 Y C 1.948 177.869 175.900 0.035 0.000 1.145 933 Y CA 1.710 59.817 58.100 0.012 0.000 1.203 933 Y CB 0.158 38.625 38.460 0.011 0.000 0.984 933 Y HN -0.049 nan 8.280 nan 0.000 0.533 934 K N -0.604 119.868 120.400 0.120 0.000 2.288 934 K HA -0.182 4.137 4.320 -0.000 0.000 0.201 934 K C 1.964 178.549 176.600 -0.026 0.000 1.048 934 K CA 1.083 57.400 56.287 0.049 0.000 0.956 934 K CB 0.010 32.551 32.500 0.068 0.000 0.746 934 K HN 0.271 nan 8.250 nan 0.000 0.461 935 Q N 0.950 120.728 119.800 -0.035 0.000 2.089 935 Q HA 0.018 4.358 4.340 -0.000 0.000 0.195 935 Q C 1.741 177.691 176.000 -0.083 0.000 0.963 935 Q CA 1.129 56.899 55.803 -0.056 0.000 0.834 935 Q CB 0.024 28.736 28.738 -0.042 0.000 0.906 935 Q HN 0.218 nan 8.270 nan 0.000 0.452 936 L N -0.566 120.585 121.223 -0.119 0.000 2.191 936 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 936 L C 2.183 179.020 176.870 -0.056 0.000 1.103 936 L CA 0.549 55.302 54.840 -0.145 0.000 0.769 936 L CB -0.628 41.232 42.059 -0.332 0.000 0.908 936 L HN 0.063 nan 8.230 nan 0.000 0.438 937 V N 0.058 119.889 119.914 -0.137 0.000 2.307 937 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 937 V C 2.627 178.639 176.094 -0.137 0.000 1.045 937 V CA 1.765 63.961 62.300 -0.173 0.000 1.024 937 V CB -0.419 31.311 31.823 -0.155 0.000 0.651 937 V HN 0.389 nan 8.190 nan 0.000 0.449 938 K N -0.335 120.013 120.400 -0.087 0.000 2.063 938 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 938 K C 1.920 178.513 176.600 -0.012 0.000 1.048 938 K CA 1.900 58.154 56.287 -0.056 0.000 0.928 938 K CB -0.296 32.164 32.500 -0.068 0.000 0.713 938 K HN 0.472 nan 8.250 nan 0.000 0.442 939 D N -0.007 120.384 120.400 -0.015 0.000 2.097 939 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 939 D C 1.880 178.208 176.300 0.046 0.000 0.989 939 D CA 1.026 55.063 54.000 0.062 0.000 0.827 939 D CB -0.146 40.668 40.800 0.023 0.000 0.966 939 D HN 0.146 nan 8.370 nan 0.000 0.456 940 R N 0.692 121.144 120.500 -0.080 0.000 2.103 940 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 940 R C 1.929 178.173 176.300 -0.092 0.000 1.142 940 R CA 1.330 57.332 56.100 -0.163 0.000 0.960 940 R CB 0.200 30.213 30.300 -0.478 0.000 0.858 940 R HN 0.036 nan 8.270 nan 0.000 0.439 941 K N -0.181 120.176 120.400 -0.071 0.000 2.031 941 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 941 K C 1.938 178.557 176.600 0.033 0.000 1.049 941 K CA 1.108 57.376 56.287 -0.032 0.000 0.939 941 K CB -0.715 31.766 32.500 -0.031 0.000 0.717 941 K HN 0.190 nan 8.250 nan 0.000 0.438 942 F N 2.449 122.352 119.950 -0.078 0.000 2.095 942 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 942 F C 1.967 177.726 175.800 -0.068 0.000 1.104 942 F CA 1.299 59.254 58.000 -0.076 0.000 1.232 942 F CB -0.299 38.656 39.000 -0.075 0.000 0.987 942 F HN -0.133 nan 8.300 nan 0.000 0.475 943 L N -0.221 120.929 121.223 -0.121 0.000 2.109 943 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 943 L C 2.529 179.365 176.870 -0.057 0.000 1.086 943 L CA 1.044 55.802 54.840 -0.138 0.000 0.760 943 L CB -0.633 41.474 42.059 0.079 0.000 0.910 943 L HN 0.061 nan 8.230 nan 0.000 0.437 944 R N -0.033 120.459 120.500 -0.014 0.000 2.237 944 R HA -0.139 4.201 4.340 -0.000 0.000 0.219 944 R C 1.893 178.172 176.300 -0.034 0.000 1.080 944 R CA 0.820 56.949 56.100 0.048 0.000 0.995 944 R CB -0.027 30.321 30.300 0.081 0.000 0.875 944 R HN 0.473 nan 8.270 nan 0.000 0.462 945 E N -0.235 119.876 120.200 -0.148 0.000 2.122 945 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 945 E C 1.870 178.286 176.600 -0.307 0.000 0.977 945 E CA 0.698 56.986 56.400 -0.188 0.000 0.820 945 E CB 0.366 29.963 29.700 -0.171 0.000 0.770 945 E HN 0.055 nan 8.360 nan 0.000 0.462 946 V N 0.419 120.018 119.914 -0.526 0.000 2.302 946 V HA -0.117 4.003 4.120 -0.000 0.000 0.243 946 V C 0.699 176.306 176.094 -0.812 0.000 1.036 946 V CA 1.204 63.025 62.300 -0.799 0.000 1.020 946 V CB -0.180 30.893 31.823 -1.250 0.000 0.657 946 V HN 0.127 nan 8.190 nan 0.000 0.453 947 F N 0.082 119.864 119.950 -0.281 0.000 2.359 947 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 947 F C 1.146 176.905 175.800 -0.067 0.000 1.132 947 F CA -0.378 57.530 58.000 -0.155 0.000 1.246 947 F CB 0.119 39.074 39.000 -0.075 0.000 1.569 947 F HN -0.181 nan 8.300 nan 0.000 0.561 948 V N 0.139 120.082 119.914 0.048 0.000 2.343 948 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 948 V C 1.945 178.115 176.094 0.127 0.000 1.051 948 V CA 1.743 64.090 62.300 0.078 0.000 1.036 948 V CB -0.355 31.478 31.823 0.017 0.000 0.654 948 V HN 0.541 nan 8.190 nan 0.000 0.451 949 D N 0.691 121.147 120.400 0.094 0.000 2.263 949 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 949 D C 1.907 178.096 176.300 -0.185 0.000 1.013 949 D CA 2.242 56.264 54.000 0.037 0.000 0.892 949 D CB -0.547 40.306 40.800 0.089 0.000 0.909 949 D HN 0.674 nan 8.370 nan 0.000 0.449 950 G N 0.199 108.801 108.800 -0.331 0.000 2.157 950 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.239 950 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.239 950 G C 0.114 174.764 174.900 -0.417 0.000 0.982 950 G CA 0.443 44.998 45.100 -0.909 0.000 0.650 950 G HN 0.410 nan 8.290 nan 0.000 0.527 951 E N 0.571 120.683 120.200 -0.148 0.000 2.324 951 E HA 0.681 5.031 4.350 -0.000 0.000 0.271 951 E C 1.128 177.640 176.600 -0.147 0.000 1.028 951 E CA 0.735 57.030 56.400 -0.174 0.000 0.890 951 E CB 0.807 30.412 29.700 -0.159 0.000 1.004 951 E HN 0.668 nan 8.360 nan 0.000 0.431 952 A N 4.997 127.659 122.820 -0.263 0.000 2.197 952 A HA 0.109 4.429 4.320 -0.000 0.000 0.210 952 A C 0.145 177.563 177.584 -0.277 0.000 1.180 952 A CA -0.212 51.719 52.037 -0.178 0.000 0.846 952 A CB 0.080 19.016 19.000 -0.107 0.000 0.884 952 A HN 0.566 nan 8.150 nan 0.000 0.487 953 N N 0.508 118.890 118.700 -0.530 0.000 2.439 953 N HA 0.299 5.039 4.740 -0.000 0.000 0.243 953 N C -1.691 173.270 175.510 -0.915 0.000 1.088 953 N CA 0.294 53.026 53.050 -0.530 0.000 0.940 953 N CB 0.228 38.462 38.487 -0.421 0.000 1.180 953 N HN 0.464 nan 8.380 nan 0.000 0.505 954 W N 2.138 123.304 121.300 -0.224 0.000 2.819 954 W HA 0.363 5.023 4.660 -0.000 0.000 0.337 954 W C -2.055 174.415 176.519 -0.082 0.000 1.077 954 W CA -2.015 55.212 57.345 -0.198 0.000 1.226 954 W CB 1.469 30.736 29.460 -0.321 0.000 1.419 954 W HN 0.267 nan 8.180 nan 0.000 0.502 955 P HA 0.118 nan 4.420 nan 0.000 0.264 955 P C -0.787 176.628 177.300 0.192 0.000 1.229 955 P CA 0.693 63.902 63.100 0.182 0.000 0.780 955 P CB 0.652 32.490 31.700 0.229 0.000 0.808 956 L N 6.073 127.398 121.223 0.170 0.000 2.388 956 L HA 0.506 4.846 4.340 -0.000 0.000 0.264 956 L C -2.267 174.690 176.870 0.145 0.000 0.998 956 L CA -2.910 52.042 54.840 0.187 0.000 0.817 956 L CB 3.021 45.248 42.059 0.280 0.000 1.338 956 L HN 0.116 nan 8.230 nan 0.000 0.414 957 P HA 0.058 nan 4.420 nan 0.000 0.269 957 P C -0.635 176.669 177.300 0.007 0.000 1.209 957 P CA 0.168 63.265 63.100 -0.004 0.000 0.776 957 P CB 0.878 32.506 31.700 -0.121 0.000 0.876 958 V N 0.227 120.167 119.914 0.043 0.000 3.699 958 V HA -0.201 3.919 4.120 -0.000 0.000 0.464 958 V C 0.606 176.788 176.094 0.146 0.000 0.681 958 V CA -0.048 62.305 62.300 0.088 0.000 1.940 958 V CB -1.778 30.106 31.823 0.101 0.000 2.368 958 V HN 0.881 nan 8.190 nan 0.000 0.496 959 N N 4.347 123.102 118.700 0.090 0.000 2.434 959 N HA 0.177 4.917 4.740 -0.000 0.000 0.268 959 N C 0.910 176.464 175.510 0.073 0.000 1.256 959 N CA 0.409 53.501 53.050 0.070 0.000 0.914 959 N CB 0.805 39.305 38.487 0.022 0.000 1.088 959 N HN 0.730 nan 8.380 nan 0.000 0.478 960 I N 3.227 123.846 120.570 0.083 0.000 2.731 960 I HA -0.079 4.090 4.170 -0.000 0.000 0.260 960 I C 2.387 178.501 176.117 -0.005 0.000 1.138 960 I CA 0.085 61.411 61.300 0.044 0.000 1.461 960 I CB -0.098 37.928 38.000 0.043 0.000 1.128 960 I HN 0.563 nan 8.210 nan 0.000 0.438 961 R N 1.453 121.960 120.500 0.012 0.000 2.113 961 R HA -0.233 4.107 4.340 -0.000 0.000 0.244 961 R C 2.466 178.757 176.300 -0.016 0.000 1.142 961 R CA 1.850 57.950 56.100 -0.001 0.000 0.953 961 R CB -0.210 30.106 30.300 0.025 0.000 0.860 961 R HN 0.201 nan 8.270 nan 0.000 0.438 962 R N 0.255 120.761 120.500 0.010 0.000 2.066 962 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 962 R C 2.404 178.725 176.300 0.035 0.000 1.131 962 R CA 1.819 57.937 56.100 0.031 0.000 0.955 962 R CB -0.319 30.010 30.300 0.048 0.000 0.851 962 R HN 0.323 nan 8.270 nan 0.000 0.432 963 I N 0.652 121.233 120.570 0.017 0.000 2.236 963 I HA -0.346 3.824 4.170 -0.000 0.000 0.249 963 I C 2.173 178.317 176.117 0.044 0.000 1.102 963 I CA 1.482 62.791 61.300 0.014 0.000 1.365 963 I CB -0.283 37.672 38.000 -0.076 0.000 1.051 963 I HN 0.253 nan 8.210 nan 0.000 0.420 964 I N 0.143 120.672 120.570 -0.068 0.000 2.353 964 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 964 I C 2.596 178.657 176.117 -0.093 0.000 1.119 964 I CA 1.159 62.359 61.300 -0.167 0.000 1.417 964 I CB -0.250 37.455 38.000 -0.491 0.000 1.078 964 I HN 0.261 nan 8.210 nan 0.000 0.421 965 Q N 0.432 120.194 119.800 -0.064 0.000 2.124 965 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 965 Q C 1.443 177.371 176.000 -0.121 0.000 0.977 965 Q CA 1.123 56.876 55.803 -0.083 0.000 0.850 965 Q CB -0.272 28.422 28.738 -0.072 0.000 0.901 965 Q HN 0.517 nan 8.270 nan 0.000 0.429 966 N N -0.253 118.462 118.700 0.024 0.000 2.515 966 N HA 0.017 4.757 4.740 -0.000 0.000 0.191 966 N C 0.677 176.294 175.510 0.179 0.000 1.182 966 N CA 0.682 53.809 53.050 0.129 0.000 0.879 966 N CB 0.485 39.165 38.487 0.321 0.000 0.984 966 N HN 0.206 nan 8.380 nan 0.000 0.453 967 A N -0.416 122.500 122.820 0.161 0.000 2.287 967 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 967 A C 1.976 179.597 177.584 0.062 0.000 1.228 967 A CA -0.122 52.009 52.037 0.157 0.000 0.939 967 A CB 0.323 19.473 19.000 0.249 0.000 0.992 967 A HN -0.004 nan 8.150 nan 0.000 0.502 968 Q N 0.158 119.951 119.800 -0.011 0.000 2.119 968 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 968 Q C 1.768 177.738 176.000 -0.049 0.000 0.972 968 Q CA 2.065 57.856 55.803 -0.020 0.000 0.847 968 Q CB -0.070 28.662 28.738 -0.010 0.000 0.903 968 Q HN 0.956 nan 8.270 nan 0.000 0.433 969 Q N -2.364 117.356 119.800 -0.132 0.000 2.214 969 Q HA 0.177 4.517 4.340 -0.000 0.000 0.229 969 Q C 1.336 177.098 176.000 -0.397 0.000 0.835 969 Q CA 0.445 56.141 55.803 -0.178 0.000 0.953 969 Q CB -0.017 28.657 28.738 -0.107 0.000 1.131 969 Q HN -0.083 nan 8.270 nan 0.000 0.501 970 T N -0.036 114.309 114.554 -0.348 0.000 2.904 970 T HA 0.081 4.431 4.350 -0.000 0.000 0.267 970 T C 0.163 174.368 174.700 -0.826 0.000 1.059 970 T CA 1.037 62.789 62.100 -0.580 0.000 1.137 970 T CB -0.145 68.340 68.868 -0.638 0.000 0.879 970 T HN 0.322 nan 8.240 nan 0.000 0.467 971 F N 0.160 119.848 119.950 -0.436 0.000 2.678 971 F HA 0.296 4.823 4.527 -0.000 0.000 0.305 971 F C 0.481 176.189 175.800 -0.154 0.000 1.090 971 F CA -0.594 57.235 58.000 -0.286 0.000 1.272 971 F CB -0.093 38.781 39.000 -0.210 0.000 1.060 971 F HN 0.149 nan 8.300 nan 0.000 0.576 972 H N 0.317 119.403 119.070 0.026 0.000 2.677 972 H HA -0.154 4.401 4.556 -0.000 0.000 0.321 972 H C 0.344 175.677 175.328 0.009 0.000 1.171 972 H CA 0.282 56.334 56.048 0.006 0.000 1.139 972 H CB -1.780 27.976 29.762 -0.012 0.000 1.515 972 H HN 0.262 nan 8.280 nan 0.000 0.423 973 I N 2.924 123.531 120.570 0.061 0.000 2.517 973 I HA -0.052 4.118 4.170 -0.000 0.000 0.285 973 I C 0.823 176.882 176.117 -0.096 0.000 1.106 973 I CA 0.193 61.473 61.300 -0.033 0.000 1.402 973 I CB 0.552 38.489 38.000 -0.104 0.000 1.399 973 I HN 0.194 nan 8.210 nan 0.000 0.535 974 D N 6.201 126.559 120.400 -0.071 0.000 2.274 974 D HA 0.080 4.720 4.640 -0.000 0.000 0.239 974 D C 0.389 176.639 176.300 -0.083 0.000 1.104 974 D CA -0.429 53.547 54.000 -0.039 0.000 0.840 974 D CB 0.850 41.659 40.800 0.015 0.000 1.100 974 D HN 0.484 nan 8.370 nan 0.000 0.477 975 H N 1.466 120.562 119.070 0.045 0.000 2.682 975 H HA 0.030 4.586 4.556 -0.000 0.000 0.293 975 H C 1.045 176.388 175.328 0.024 0.000 1.080 975 H CA 0.595 56.664 56.048 0.036 0.000 1.189 975 H CB 0.001 29.786 29.762 0.038 0.000 1.311 975 H HN 0.622 nan 8.280 nan 0.000 0.599 976 T N -3.337 111.272 114.554 0.091 0.000 2.978 976 T HA 0.161 4.511 4.350 -0.000 0.000 0.248 976 T C 0.867 175.588 174.700 0.035 0.000 1.018 976 T CA -0.197 61.939 62.100 0.061 0.000 1.026 976 T CB 1.095 69.993 68.868 0.050 0.000 1.032 976 T HN 0.040 nan 8.240 nan 0.000 0.485 977 K N 2.135 122.549 120.400 0.023 0.000 2.185 977 K HA 0.566 4.886 4.320 -0.000 0.000 0.240 977 K C -2.824 173.779 176.600 0.006 0.000 0.983 977 K CA -2.512 53.782 56.287 0.012 0.000 0.873 977 K CB 1.088 33.592 32.500 0.007 0.000 1.118 977 K HN 0.104 nan 8.250 nan 0.000 0.441 978 P HA 0.022 nan 4.420 nan 0.000 0.284 978 P C -0.503 176.790 177.300 -0.012 0.000 1.253 978 P CA -0.341 62.756 63.100 -0.005 0.000 0.800 978 P CB 1.404 33.100 31.700 -0.007 0.000 0.961 979 S N 1.504 117.193 115.700 -0.017 0.000 2.573 979 S HA 0.006 4.476 4.470 -0.000 0.000 0.277 979 S C 0.923 175.504 174.600 -0.032 0.000 1.346 979 S CA -0.170 58.014 58.200 -0.026 0.000 1.034 979 S CB -0.121 63.059 63.200 -0.034 0.000 0.879 979 S HN 0.560 nan 8.310 nan 0.000 0.528 980 D N 3.141 123.521 120.400 -0.034 0.000 2.388 980 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 980 D C 0.166 176.434 176.300 -0.053 0.000 1.133 980 D CA -0.161 53.819 54.000 -0.034 0.000 0.831 980 D CB -0.340 40.448 40.800 -0.020 0.000 0.962 980 D HN 0.369 nan 8.370 nan 0.000 0.502 981 L N 1.101 122.276 121.223 -0.080 0.000 2.349 981 L HA 0.201 4.541 4.340 -0.000 0.000 0.275 981 L C 0.634 177.436 176.870 -0.112 0.000 1.115 981 L CA -0.048 54.715 54.840 -0.128 0.000 0.820 981 L CB 1.337 43.269 42.059 -0.213 0.000 1.135 981 L HN -0.171 nan 8.230 nan 0.000 0.445 982 T N 3.248 117.737 114.554 -0.109 0.000 2.904 982 T HA 0.246 4.596 4.350 -0.000 0.000 0.290 982 T C 1.597 176.232 174.700 -0.108 0.000 1.018 982 T CA -0.441 61.607 62.100 -0.086 0.000 1.075 982 T CB 1.233 70.064 68.868 -0.062 0.000 0.986 982 T HN 0.421 nan 8.240 nan 0.000 0.523 983 I N 1.014 121.535 120.570 -0.081 0.000 2.454 983 I HA -0.168 4.002 4.170 -0.000 0.000 0.254 983 I C 2.467 178.542 176.117 -0.070 0.000 1.156 983 I CA 1.300 62.553 61.300 -0.078 0.000 1.433 983 I CB -0.172 37.797 38.000 -0.052 0.000 1.082 983 I HN 0.665 nan 8.210 nan 0.000 0.432 984 K N 0.541 120.906 120.400 -0.058 0.000 2.025 984 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 984 K C 1.684 178.252 176.600 -0.054 0.000 1.049 984 K CA 1.544 57.805 56.287 -0.043 0.000 0.933 984 K CB -0.147 32.335 32.500 -0.030 0.000 0.714 984 K HN 0.230 nan 8.250 nan 0.000 0.438 985 D N 1.073 121.422 120.400 -0.084 0.000 2.108 985 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 985 D C 1.940 178.150 176.300 -0.149 0.000 0.995 985 D CA 1.359 55.297 54.000 -0.104 0.000 0.834 985 D CB -0.459 40.250 40.800 -0.152 0.000 0.967 985 D HN 0.144 nan 8.370 nan 0.000 0.446 986 I N 0.524 120.909 120.570 -0.309 0.000 2.058 986 I HA -0.270 3.900 4.170 -0.000 0.000 0.235 986 I C 2.617 178.706 176.117 -0.046 0.000 1.053 986 I CA 0.871 61.952 61.300 -0.365 0.000 1.313 986 I CB -0.601 37.173 38.000 -0.375 0.000 1.039 986 I HN -0.112 nan 8.210 nan 0.000 0.396 987 V N 0.955 120.845 119.914 -0.039 0.000 2.324 987 V HA -0.284 3.836 4.120 -0.000 0.000 0.250 987 V C 2.336 178.446 176.094 0.026 0.000 1.060 987 V CA 1.910 64.216 62.300 0.009 0.000 1.042 987 V CB -0.540 31.282 31.823 -0.002 0.000 0.650 987 V HN 0.369 nan 8.190 nan 0.000 0.450 988 L N -0.286 120.948 121.223 0.017 0.000 2.209 988 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 988 L C 2.573 179.476 176.870 0.055 0.000 1.094 988 L CA 1.217 56.073 54.840 0.026 0.000 0.790 988 L CB -0.889 41.179 42.059 0.014 0.000 0.932 988 L HN 0.434 nan 8.230 nan 0.000 0.447 989 G N -0.193 108.665 108.800 0.097 0.000 2.433 989 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.216 989 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.216 989 G C 1.533 176.524 174.900 0.151 0.000 1.186 989 G CA 0.931 46.133 45.100 0.171 0.000 0.779 989 G HN 0.170 nan 8.290 nan 0.000 0.543 990 V N 0.694 120.722 119.914 0.191 0.000 2.490 990 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 990 V C 2.614 178.728 176.094 0.033 0.000 1.061 990 V CA 2.137 64.499 62.300 0.104 0.000 1.064 990 V CB -0.390 31.510 31.823 0.127 0.000 0.670 990 V HN 0.376 nan 8.190 nan 0.000 0.461 991 K N -0.377 120.046 120.400 0.037 0.000 2.103 991 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 991 K C 1.857 178.458 176.600 0.002 0.000 1.052 991 K CA 1.307 57.600 56.287 0.009 0.000 0.945 991 K CB -0.089 32.417 32.500 0.011 0.000 0.722 991 K HN 0.403 nan 8.250 nan 0.000 0.443 992 D N 0.592 121.002 120.400 0.016 0.000 2.234 992 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 992 D C 1.764 178.064 176.300 -0.000 0.000 0.962 992 D CA 0.478 54.484 54.000 0.011 0.000 0.855 992 D CB 0.228 41.042 40.800 0.023 0.000 0.951 992 D HN 0.133 nan 8.370 nan 0.000 0.500 993 L N 1.095 122.314 121.223 -0.007 0.000 2.141 993 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 993 L C 1.973 178.817 176.870 -0.042 0.000 1.094 993 L CA 1.480 56.303 54.840 -0.028 0.000 0.763 993 L CB -0.348 41.682 42.059 -0.048 0.000 0.908 993 L HN -0.098 nan 8.230 nan 0.000 0.437 994 Q N -0.575 119.197 119.800 -0.047 0.000 2.291 994 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 994 Q C 1.633 177.606 176.000 -0.046 0.000 0.976 994 Q CA 1.217 56.983 55.803 -0.061 0.000 0.875 994 Q CB -0.025 28.677 28.738 -0.059 0.000 0.927 994 Q HN 0.583 nan 8.270 nan 0.000 0.450 995 E N 0.098 120.282 120.200 -0.026 0.000 2.318 995 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 995 E C 0.868 177.466 176.600 -0.002 0.000 0.998 995 E CA 0.397 56.789 56.400 -0.012 0.000 0.859 995 E CB 0.205 29.902 29.700 -0.006 0.000 0.812 995 E HN 0.356 nan 8.360 nan 0.000 0.492 996 N N 0.386 119.083 118.700 -0.005 0.000 2.214 996 N HA 0.125 4.865 4.740 -0.000 0.000 0.214 996 N C 1.591 177.123 175.510 0.037 0.000 1.132 996 N CA -0.009 53.049 53.050 0.014 0.000 0.856 996 N CB 0.853 39.346 38.487 0.009 0.000 1.020 996 N HN 0.139 nan 8.380 nan 0.000 0.509 997 L N 0.453 121.679 121.223 0.004 0.000 1.971 997 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 997 L C 0.508 177.552 176.870 0.291 0.000 1.083 997 L CA 0.803 55.652 54.840 0.016 0.000 0.753 997 L CB -0.377 41.412 42.059 -0.450 0.000 0.893 997 L HN 0.093 nan 8.230 nan 0.000 0.436 998 L N -1.113 120.241 121.223 0.219 0.000 0.626 998 L HA -0.219 4.121 4.340 -0.000 0.000 0.357 998 L C 0.129 177.154 176.870 0.259 0.000 1.004 998 L CA -0.305 54.656 54.840 0.201 0.000 1.223 998 L CB -0.683 41.444 42.059 0.113 0.000 0.120 998 L HN 0.048 nan 8.230 nan 0.000 0.114 999 V N 2.778 122.785 119.914 0.154 0.000 3.332 999 V HA 0.336 4.456 4.120 -0.000 0.000 0.263 999 V C 0.249 176.377 176.094 0.057 0.000 1.562 999 V CA 0.530 62.882 62.300 0.085 0.000 1.040 999 V CB 1.119 33.011 31.823 0.115 0.000 0.857 999 V HN 0.456 nan 8.190 nan 0.000 0.428 1000 L N -0.534 120.729 121.223 0.066 0.000 2.350 1000 L HA 0.590 4.930 4.340 -0.000 0.000 0.260 1000 L C 0.390 177.287 176.870 0.045 0.000 1.015 1000 L CA -0.430 54.442 54.840 0.054 0.000 0.821 1000 L CB 2.607 44.701 42.059 0.058 0.000 1.370 1000 L HN -0.099 nan 8.230 nan 0.000 0.416 1001 R N -0.031 120.492 120.500 0.039 0.000 2.549 1001 R HA 0.210 4.550 4.340 -0.000 0.000 0.361 1001 R C 0.468 176.784 176.300 0.026 0.000 0.969 1001 R CA -0.273 55.846 56.100 0.031 0.000 1.158 1001 R CB 1.304 31.620 30.300 0.026 0.000 1.456 1001 R HN 0.759 nan 8.270 nan 0.000 0.540 1002 G N 0.909 109.726 108.800 0.029 0.000 2.647 1002 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.234 1002 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.234 1002 G C 0.177 175.088 174.900 0.017 0.000 1.252 1002 G CA -0.091 45.023 45.100 0.023 0.000 0.846 1002 G HN 0.112 nan 8.290 nan 0.000 0.589 1003 K N -0.260 120.148 120.400 0.013 0.000 2.414 1003 K HA 0.075 4.395 4.320 -0.000 0.000 0.204 1003 K C 0.736 177.339 176.600 0.006 0.000 1.026 1003 K CA -0.206 56.086 56.287 0.009 0.000 1.108 1003 K CB -0.033 32.472 32.500 0.007 0.000 0.855 1003 K HN 0.736 nan 8.250 nan 0.000 0.517 1004 N N -0.921 117.783 118.700 0.006 0.000 2.448 1004 N HA -0.007 4.733 4.740 -0.000 0.000 0.274 1004 N C 0.792 176.301 175.510 -0.001 0.000 1.239 1004 N CA -0.537 52.515 53.050 0.003 0.000 0.982 1004 N CB 0.620 39.109 38.487 0.004 0.000 1.199 1004 N HN -0.162 nan 8.380 nan 0.000 0.576 1005 E N 0.041 120.238 120.200 -0.006 0.000 2.006 1005 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 1005 E C 1.517 178.108 176.600 -0.014 0.000 0.993 1005 E CA 1.309 57.702 56.400 -0.011 0.000 0.808 1005 E CB -0.350 29.342 29.700 -0.014 0.000 0.764 1005 E HN 0.645 nan 8.360 nan 0.000 0.449 1006 I N 0.762 121.321 120.570 -0.017 0.000 2.087 1006 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 1006 I C 2.205 178.311 176.117 -0.018 0.000 1.054 1006 I CA 1.124 62.408 61.300 -0.027 0.000 1.311 1006 I CB -0.411 37.570 38.000 -0.030 0.000 1.024 1006 I HN 0.302 nan 8.210 nan 0.000 0.402 1007 I N 0.044 120.613 120.570 -0.002 0.000 2.252 1007 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 1007 I C 2.637 178.761 176.117 0.012 0.000 1.102 1007 I CA 1.470 62.777 61.300 0.012 0.000 1.385 1007 I CB -1.306 36.709 38.000 0.024 0.000 1.064 1007 I HN 0.396 nan 8.210 nan 0.000 0.414 1008 Q N 0.698 120.502 119.800 0.005 0.000 2.096 1008 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 1008 Q C 2.008 178.007 176.000 -0.002 0.000 0.982 1008 Q CA 1.226 57.032 55.803 0.004 0.000 0.850 1008 Q CB -0.478 28.259 28.738 -0.001 0.000 0.901 1008 Q HN 0.553 nan 8.270 nan 0.000 0.422 1009 N N 0.365 119.058 118.700 -0.012 0.000 2.104 1009 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 1009 N C 1.608 177.109 175.510 -0.016 0.000 1.024 1009 N CA 1.372 54.409 53.050 -0.021 0.000 0.853 1009 N CB -0.065 38.402 38.487 -0.033 0.000 1.008 1009 N HN 0.223 nan 8.380 nan 0.000 0.424 1010 A N 0.772 123.587 122.820 -0.008 0.000 2.014 1010 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 1010 A C 2.182 179.783 177.584 0.028 0.000 1.163 1010 A CA 1.207 53.248 52.037 0.005 0.000 0.652 1010 A CB -0.352 18.655 19.000 0.012 0.000 0.808 1010 A HN 0.257 nan 8.150 nan 0.000 0.449 1011 Q N 0.633 120.451 119.800 0.029 0.000 2.020 1011 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 1011 Q C 2.083 178.106 176.000 0.038 0.000 0.982 1011 Q CA 2.134 57.964 55.803 0.045 0.000 0.838 1011 Q CB -0.438 28.324 28.738 0.040 0.000 0.899 1011 Q HN 0.633 nan 8.270 nan 0.000 0.423 1012 R N 0.342 120.850 120.500 0.012 0.000 2.103 1012 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 1012 R C 1.970 178.269 176.300 -0.001 0.000 1.142 1012 R CA 1.444 57.541 56.100 -0.005 0.000 0.960 1012 R CB -0.446 29.836 30.300 -0.028 0.000 0.858 1012 R HN 0.437 nan 8.270 nan 0.000 0.439 1013 D N 0.782 121.183 120.400 0.002 0.000 2.087 1013 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 1013 D C 1.729 178.053 176.300 0.041 0.000 0.993 1013 D CA 1.753 55.759 54.000 0.010 0.000 0.828 1013 D CB -0.348 40.456 40.800 0.006 0.000 0.968 1013 D HN 0.253 nan 8.370 nan 0.000 0.448 1014 A N 0.170 123.026 122.820 0.059 0.000 2.216 1014 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 1014 A C 2.141 179.803 177.584 0.130 0.000 1.160 1014 A CA 0.745 52.835 52.037 0.087 0.000 0.725 1014 A CB -0.054 19.002 19.000 0.094 0.000 0.784 1014 A HN 0.175 nan 8.150 nan 0.000 0.472 1015 V N -2.033 117.949 119.914 0.113 0.000 3.379 1015 V HA -0.073 4.046 4.120 -0.000 0.000 0.249 1015 V C 2.329 178.493 176.094 0.116 0.000 1.184 1015 V CA 1.371 63.749 62.300 0.130 0.000 1.106 1015 V CB -0.643 31.220 31.823 0.066 0.000 0.826 1015 V HN 0.485 nan 8.190 nan 0.000 0.465 1016 T N 1.853 116.449 114.554 0.069 0.000 2.564 1016 T HA -0.334 4.016 4.350 -0.000 0.000 0.264 1016 T C 1.915 176.678 174.700 0.105 0.000 1.100 1016 T CA 2.620 64.746 62.100 0.043 0.000 1.171 1016 T CB -0.493 68.390 68.868 0.025 0.000 0.863 1016 T HN 0.309 nan 8.240 nan 0.000 0.430 1017 L N 0.585 121.907 121.223 0.165 0.000 2.012 1017 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 1017 L C 2.091 179.066 176.870 0.176 0.000 1.073 1017 L CA 1.738 56.691 54.840 0.189 0.000 0.748 1017 L CB -1.225 40.933 42.059 0.165 0.000 0.891 1017 L HN 0.304 nan 8.230 nan 0.000 0.431 1018 F N -0.171 119.810 119.950 0.050 0.000 2.095 1018 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 1018 F C 2.555 178.346 175.800 -0.014 0.000 1.104 1018 F CA 1.825 59.839 58.000 0.023 0.000 1.232 1018 F CB -1.015 37.987 39.000 0.004 0.000 0.987 1018 F HN 0.216 nan 8.300 nan 0.000 0.475 1019 C N 0.009 119.230 119.300 -0.133 0.000 2.398 1019 C HA -0.281 4.179 4.460 -0.000 0.000 0.276 1019 C C 3.089 177.959 174.990 -0.200 0.000 1.222 1019 C CA 1.389 60.269 59.018 -0.231 0.000 1.746 1019 C CB -1.819 25.859 27.740 -0.103 0.000 2.039 1019 C HN 0.731 nan 8.230 nan 0.000 0.470 1020 C N -0.008 119.244 119.300 -0.080 0.000 2.411 1020 C HA -0.117 4.343 4.460 -0.000 0.000 0.279 1020 C C 2.478 177.437 174.990 -0.053 0.000 1.288 1020 C CA 1.094 60.098 59.018 -0.024 0.000 1.764 1020 C CB -1.653 26.138 27.740 0.086 0.000 1.974 1020 C HN 0.701 nan 8.230 nan 0.000 0.498 1021 L N 0.357 121.508 121.223 -0.119 0.000 2.095 1021 L HA 0.036 4.376 4.340 -0.000 0.000 0.204 1021 L C 2.212 178.952 176.870 -0.217 0.000 1.080 1021 L CA 1.547 56.310 54.840 -0.128 0.000 0.759 1021 L CB -0.794 41.194 42.059 -0.119 0.000 0.914 1021 L HN 0.215 nan 8.230 nan 0.000 0.439 1022 L N -0.071 120.891 121.223 -0.435 0.000 2.017 1022 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 1022 L C 2.708 179.487 176.870 -0.151 0.000 1.073 1022 L CA 1.769 56.376 54.840 -0.388 0.000 0.745 1022 L CB -0.654 41.084 42.059 -0.535 0.000 0.894 1022 L HN 0.250 nan 8.230 nan 0.000 0.432 1023 R N -0.576 119.856 120.500 -0.113 0.000 2.081 1023 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 1023 R C 2.398 178.736 176.300 0.062 0.000 1.131 1023 R CA 1.622 57.709 56.100 -0.023 0.000 0.960 1023 R CB -0.760 29.516 30.300 -0.039 0.000 0.856 1023 R HN 0.661 nan 8.270 nan 0.000 0.436 1024 S N 0.651 116.393 115.700 0.069 0.000 2.399 1024 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 1024 S C 1.908 176.655 174.600 0.245 0.000 1.022 1024 S CA 0.712 59.046 58.200 0.223 0.000 0.983 1024 S CB -0.054 63.243 63.200 0.162 0.000 0.803 1024 S HN 0.174 nan 8.310 nan 0.000 0.480 1025 R N 1.038 121.613 120.500 0.124 0.000 2.112 1025 R HA 0.350 4.690 4.340 -0.000 0.000 0.216 1025 R C 1.100 177.512 176.300 0.187 0.000 1.080 1025 R CA 0.487 56.672 56.100 0.141 0.000 0.996 1025 R CB -0.821 29.526 30.300 0.079 0.000 0.902 1025 R HN 0.446 nan 8.270 nan 0.000 0.449 1026 L N 1.672 122.977 121.223 0.137 0.000 3.084 1026 L HA 0.407 4.747 4.340 -0.000 0.000 0.238 1026 L C 0.022 176.994 176.870 0.171 0.000 1.327 1026 L CA -0.587 54.368 54.840 0.191 0.000 1.094 1026 L CB 0.455 42.606 42.059 0.154 0.000 1.477 1026 L HN -0.067 nan 8.230 nan 0.000 0.514 1027 A N -0.430 122.472 122.820 0.137 0.000 2.316 1027 A HA 0.398 4.718 4.320 -0.000 0.000 0.284 1027 A C 1.396 179.008 177.584 0.046 0.000 1.115 1027 A CA -0.227 51.877 52.037 0.111 0.000 0.812 1027 A CB 0.616 19.721 19.000 0.176 0.000 1.064 1027 A HN 0.407 nan 8.150 nan 0.000 0.489 1028 T N 1.517 116.090 114.554 0.032 0.000 2.685 1028 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 1028 T C 2.069 176.738 174.700 -0.053 0.000 1.034 1028 T CA 1.705 63.797 62.100 -0.014 0.000 1.149 1028 T CB -0.198 68.659 68.868 -0.018 0.000 0.860 1028 T HN 0.600 nan 8.240 nan 0.000 0.449 1029 R N 0.807 121.259 120.500 -0.081 0.000 2.070 1029 R HA 0.076 4.416 4.340 -0.000 0.000 0.233 1029 R C 2.712 178.891 176.300 -0.202 0.000 1.137 1029 R CA 1.301 57.319 56.100 -0.136 0.000 0.945 1029 R CB -0.468 29.730 30.300 -0.169 0.000 0.845 1029 R HN 0.407 nan 8.270 nan 0.000 0.430 1030 R N -0.045 120.291 120.500 -0.273 0.000 2.097 1030 R HA -0.155 4.185 4.340 -0.000 0.000 0.236 1030 R C 2.340 178.382 176.300 -0.431 0.000 1.135 1030 R CA 2.031 57.870 56.100 -0.436 0.000 0.934 1030 R CB -0.776 29.290 30.300 -0.392 0.000 0.846 1030 R HN 0.039 nan 8.270 nan 0.000 0.431 1031 V N 1.362 121.231 119.914 -0.075 0.000 2.250 1031 V HA -0.302 3.818 4.120 -0.000 0.000 0.253 1031 V C 2.244 178.387 176.094 0.083 0.000 1.065 1031 V CA 2.084 64.493 62.300 0.181 0.000 1.039 1031 V CB -0.503 31.442 31.823 0.204 0.000 0.647 1031 V HN 0.318 nan 8.190 nan 0.000 0.446 1032 L N -1.438 119.769 121.223 -0.026 0.000 2.298 1032 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 1032 L C 2.463 179.315 176.870 -0.031 0.000 1.084 1032 L CA 1.131 55.957 54.840 -0.023 0.000 0.816 1032 L CB -0.329 41.701 42.059 -0.048 0.000 0.967 1032 L HN 0.321 nan 8.230 nan 0.000 0.460 1033 Q N -0.063 119.684 119.800 -0.088 0.000 2.304 1033 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 1033 Q C 1.903 177.837 176.000 -0.111 0.000 0.936 1033 Q CA 0.565 56.317 55.803 -0.085 0.000 0.878 1033 Q CB 0.484 29.158 28.738 -0.106 0.000 0.983 1033 Q HN 0.420 nan 8.270 nan 0.000 0.516 1034 E N -0.348 119.701 120.200 -0.252 0.000 2.086 1034 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 1034 E C -0.533 175.972 176.600 -0.158 0.000 0.975 1034 E CA 0.610 56.812 56.400 -0.330 0.000 0.813 1034 E CB 0.432 29.773 29.700 -0.599 0.000 0.768 1034 E HN 0.334 nan 8.360 nan 0.000 0.457 1035 Y N -0.856 119.501 120.300 0.095 0.000 2.541 1035 Y HA 0.397 4.947 4.550 -0.000 0.000 0.350 1035 Y C -0.701 175.269 175.900 0.116 0.000 1.075 1035 Y CA -1.328 56.878 58.100 0.177 0.000 1.302 1035 Y CB -0.158 38.378 38.460 0.127 0.000 1.094 1035 Y HN -0.278 nan 8.280 nan 0.000 0.579 1036 R N 3.489 124.133 120.500 0.242 0.000 3.419 1036 R HA 0.015 4.355 4.340 -0.000 0.000 0.236 1036 R C -0.340 175.981 176.300 0.034 0.000 1.375 1036 R CA 0.295 56.438 56.100 0.072 0.000 0.977 1036 R CB -0.479 29.803 30.300 -0.029 0.000 1.121 1036 R HN 0.734 nan 8.270 nan 0.000 0.516 1037 L N 1.513 122.806 121.223 0.116 0.000 2.417 1037 L HA 0.102 4.442 4.340 -0.000 0.000 0.268 1037 L C 1.440 178.325 176.870 0.025 0.000 1.158 1037 L CA 0.024 54.919 54.840 0.092 0.000 0.819 1037 L CB 0.807 43.002 42.059 0.227 0.000 1.112 1037 L HN 0.460 nan 8.230 nan 0.000 0.458 1038 T N -1.484 113.062 114.554 -0.015 0.000 2.923 1038 T HA 0.228 4.578 4.350 -0.000 0.000 0.281 1038 T C 0.737 175.425 174.700 -0.021 0.000 0.995 1038 T CA -0.811 61.269 62.100 -0.033 0.000 0.985 1038 T CB 1.666 70.508 68.868 -0.043 0.000 1.114 1038 T HN 0.529 nan 8.240 nan 0.000 0.548 1039 K N 0.017 120.401 120.400 -0.026 0.000 2.147 1039 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 1039 K C 2.302 178.913 176.600 0.019 0.000 1.049 1039 K CA 1.693 57.979 56.287 -0.001 0.000 0.936 1039 K CB -0.477 32.017 32.500 -0.011 0.000 0.722 1039 K HN 0.727 nan 8.250 nan 0.000 0.446 1040 Q N -0.395 119.376 119.800 -0.047 0.000 1.990 1040 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 1040 Q C 1.988 177.759 176.000 -0.381 0.000 0.980 1040 Q CA 1.810 57.543 55.803 -0.117 0.000 0.832 1040 Q CB -0.368 28.331 28.738 -0.064 0.000 0.897 1040 Q HN 0.422 nan 8.270 nan 0.000 0.427 1041 A N 0.050 122.475 122.820 -0.658 0.000 1.933 1041 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 1041 A C 1.860 179.310 177.584 -0.225 0.000 1.175 1041 A CA 1.281 52.765 52.037 -0.921 0.000 0.628 1041 A CB -0.893 17.709 19.000 -0.665 0.000 0.814 1041 A HN 0.629 nan 8.150 nan 0.000 0.444 1042 F N 0.697 120.540 119.950 -0.179 0.000 2.146 1042 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 1042 F C 1.734 177.523 175.800 -0.018 0.000 1.096 1042 F CA 1.923 59.887 58.000 -0.059 0.000 1.275 1042 F CB -0.122 38.856 39.000 -0.037 0.000 1.008 1042 F HN 0.230 nan 8.300 nan 0.000 0.480 1043 D N -0.778 119.736 120.400 0.191 0.000 2.263 1043 D HA -0.212 4.428 4.640 -0.000 0.000 0.208 1043 D C 1.650 177.991 176.300 0.068 0.000 0.971 1043 D CA 1.060 55.144 54.000 0.140 0.000 0.867 1043 D CB -0.387 40.503 40.800 0.151 0.000 0.929 1043 D HN 0.541 nan 8.370 nan 0.000 0.492 1044 W N 0.141 121.363 121.300 -0.130 0.000 2.443 1044 W HA -0.084 4.576 4.660 -0.000 0.000 0.296 1044 W C 1.919 178.369 176.519 -0.115 0.000 1.202 1044 W CA 0.694 57.993 57.345 -0.076 0.000 1.312 1044 W CB -0.353 29.094 29.460 -0.022 0.000 1.120 1044 W HN -0.258 nan 8.180 nan 0.000 0.536 1045 V N 1.633 121.484 119.914 -0.107 0.000 2.568 1045 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 1045 V C 2.145 178.000 176.094 -0.399 0.000 1.072 1045 V CA 1.913 64.024 62.300 -0.315 0.000 1.084 1045 V CB -0.793 30.880 31.823 -0.249 0.000 0.676 1045 V HN 0.244 nan 8.190 nan 0.000 0.469 1046 L N -0.977 120.007 121.223 -0.398 0.000 2.049 1046 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 1046 L C 2.626 179.368 176.870 -0.213 0.000 1.074 1046 L CA 1.627 56.287 54.840 -0.298 0.000 0.749 1046 L CB -0.850 41.059 42.059 -0.250 0.000 0.907 1046 L HN 0.251 nan 8.230 nan 0.000 0.439 1047 S N -0.009 115.571 115.700 -0.199 0.000 2.419 1047 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 1047 S C 1.906 176.359 174.600 -0.246 0.000 1.019 1047 S CA 1.373 59.473 58.200 -0.165 0.000 0.982 1047 S CB -0.355 62.780 63.200 -0.109 0.000 0.789 1047 S HN 0.397 nan 8.310 nan 0.000 0.490 1048 N N 1.151 119.595 118.700 -0.427 0.000 2.135 1048 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 1048 N C 1.760 177.117 175.510 -0.255 0.000 1.027 1048 N CA 1.451 54.209 53.050 -0.486 0.000 0.849 1048 N CB -0.336 37.614 38.487 -0.895 0.000 1.002 1048 N HN 0.458 nan 8.380 nan 0.000 0.425 1049 I N 1.278 121.728 120.570 -0.199 0.000 2.208 1049 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 1049 I C 2.522 178.646 176.117 0.011 0.000 1.097 1049 I CA 1.032 62.300 61.300 -0.055 0.000 1.363 1049 I CB -0.313 37.676 38.000 -0.019 0.000 1.051 1049 I HN 0.315 nan 8.210 nan 0.000 0.413 1050 E N 1.359 121.545 120.200 -0.024 0.000 2.038 1050 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 1050 E C 2.313 178.937 176.600 0.040 0.000 1.000 1050 E CA 1.552 57.969 56.400 0.029 0.000 0.803 1050 E CB -0.078 29.618 29.700 -0.006 0.000 0.750 1050 E HN 0.471 nan 8.360 nan 0.000 0.448 1051 A N 0.928 123.733 122.820 -0.026 0.000 1.883 1051 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 1051 A C 2.129 179.690 177.584 -0.038 0.000 1.186 1051 A CA 1.805 53.821 52.037 -0.035 0.000 0.624 1051 A CB -0.614 18.350 19.000 -0.061 0.000 0.822 1051 A HN 0.372 nan 8.150 nan 0.000 0.444 1052 Q N -2.132 117.647 119.800 -0.036 0.000 2.119 1052 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 1052 Q C 1.947 177.912 176.000 -0.058 0.000 0.972 1052 Q CA 1.404 57.180 55.803 -0.046 0.000 0.847 1052 Q CB -0.248 28.474 28.738 -0.026 0.000 0.903 1052 Q HN 0.752 nan 8.270 nan 0.000 0.433 1053 F N 1.405 121.261 119.950 -0.157 0.000 2.075 1053 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 1053 F C 1.837 177.535 175.800 -0.170 0.000 1.113 1053 F CA 1.256 59.126 58.000 -0.218 0.000 1.218 1053 F CB -0.283 38.577 39.000 -0.233 0.000 0.984 1053 F HN -0.045 nan 8.300 nan 0.000 0.472 1054 L N 0.040 121.195 121.223 -0.113 0.000 2.447 1054 L HA -0.189 4.151 4.340 -0.000 0.000 0.225 1054 L C 2.366 179.090 176.870 -0.243 0.000 1.148 1054 L CA 1.020 55.746 54.840 -0.190 0.000 0.808 1054 L CB -0.498 41.528 42.059 -0.054 0.000 0.928 1054 L HN 0.147 nan 8.230 nan 0.000 0.448 1055 R N -1.529 118.820 120.500 -0.253 0.000 2.223 1055 R HA 0.065 4.405 4.340 -0.000 0.000 0.198 1055 R C 1.951 177.941 176.300 -0.517 0.000 0.984 1055 R CA 0.501 56.422 56.100 -0.297 0.000 1.018 1055 R CB 0.141 30.296 30.300 -0.243 0.000 0.945 1055 R HN 0.168 nan 8.270 nan 0.000 0.479 1056 S N 0.607 116.017 115.700 -0.483 0.000 2.593 1056 S HA 0.082 4.552 4.470 -0.000 0.000 0.217 1056 S C 0.612 175.036 174.600 -0.295 0.000 0.966 1056 S CA -0.095 57.856 58.200 -0.415 0.000 0.914 1056 S CB 0.265 63.308 63.200 -0.261 0.000 0.776 1056 S HN -0.052 nan 8.310 nan 0.000 0.523 1057 V N 2.389 122.104 119.914 -0.332 0.000 2.963 1057 V HA 0.100 4.220 4.120 -0.000 0.000 0.306 1057 V C 0.606 176.708 176.094 0.013 0.000 1.077 1057 V CA -0.478 61.691 62.300 -0.217 0.000 1.124 1057 V CB 0.825 32.495 31.823 -0.256 0.000 0.987 1057 V HN 0.085 nan 8.190 nan 0.000 0.487 1058 V N 4.042 123.996 119.914 0.067 0.000 2.637 1058 V HA 0.102 4.222 4.120 -0.000 0.000 0.296 1058 V C 0.451 176.626 176.094 0.135 0.000 1.046 1058 V CA -0.313 62.096 62.300 0.182 0.000 1.066 1058 V CB 0.028 31.997 31.823 0.244 0.000 0.968 1058 V HN 0.777 nan 8.190 nan 0.000 0.483 1059 H N 5.195 124.236 119.070 -0.048 0.000 2.742 1059 H HA 0.184 4.740 4.556 -0.000 0.000 0.302 1059 H C -2.251 172.968 175.328 -0.181 0.000 1.069 1059 H CA -1.883 54.108 56.048 -0.095 0.000 1.446 1059 H CB 1.104 30.830 29.762 -0.060 0.000 1.462 1059 H HN 0.456 nan 8.280 nan 0.000 0.499 1060 P HA -0.057 nan 4.420 nan 0.000 0.258 1060 P C 0.898 177.932 177.300 -0.444 0.000 1.187 1060 P CA 1.059 63.863 63.100 -0.494 0.000 0.767 1060 P CB 0.521 31.605 31.700 -1.028 0.000 0.770 1061 G N 2.603 111.210 108.800 -0.321 0.000 3.033 1061 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.196 1061 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.196 1061 G C 0.028 174.825 174.900 -0.171 0.000 1.078 1061 G CA -0.558 44.420 45.100 -0.203 0.000 0.805 1061 G HN 0.446 nan 8.290 nan 0.000 0.472 1062 E N 1.797 121.912 120.200 -0.142 0.000 3.131 1062 E HA -0.006 4.344 4.350 -0.000 0.000 0.258 1062 E C 0.473 176.954 176.600 -0.198 0.000 0.901 1062 E CA 0.598 56.913 56.400 -0.142 0.000 0.964 1062 E CB 0.126 29.746 29.700 -0.133 0.000 0.903 1062 E HN 0.261 nan 8.360 nan 0.000 0.537 1063 M N 5.066 124.574 119.600 -0.152 0.000 3.213 1063 M HA 0.023 4.503 4.480 -0.000 0.000 0.275 1063 M C 1.109 177.319 176.300 -0.149 0.000 1.424 1063 M CA -0.206 55.004 55.300 -0.151 0.000 1.561 1063 M CB -0.339 32.194 32.600 -0.111 0.000 1.109 1063 M HN 0.203 nan 8.290 nan 0.000 0.552 1064 V N 1.453 121.230 119.914 -0.229 0.000 2.307 1064 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 1064 V C 2.381 178.417 176.094 -0.096 0.000 1.045 1064 V CA 2.314 64.482 62.300 -0.220 0.000 1.024 1064 V CB -1.305 30.224 31.823 -0.490 0.000 0.651 1064 V HN 0.830 nan 8.190 nan 0.000 0.449 1065 G N 0.339 109.068 108.800 -0.118 0.000 2.574 1065 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 1065 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 1065 G C 1.656 176.505 174.900 -0.085 0.000 1.173 1065 G CA 1.684 46.727 45.100 -0.094 0.000 0.772 1065 G HN 0.393 nan 8.290 nan 0.000 0.585 1066 V N 0.522 120.385 119.914 -0.086 0.000 2.453 1066 V HA -0.077 4.042 4.120 -0.000 0.000 0.247 1066 V C 2.652 178.708 176.094 -0.063 0.000 1.048 1066 V CA 1.489 63.742 62.300 -0.080 0.000 1.049 1066 V CB -0.402 31.376 31.823 -0.075 0.000 0.672 1066 V HN 0.346 nan 8.190 nan 0.000 0.457 1067 L N 1.125 122.323 121.223 -0.042 0.000 1.971 1067 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 1067 L C 2.504 179.344 176.870 -0.051 0.000 1.072 1067 L CA 2.629 57.456 54.840 -0.021 0.000 0.758 1067 L CB -1.101 40.990 42.059 0.053 0.000 0.889 1067 L HN 0.234 nan 8.230 nan 0.000 0.433 1068 A N -0.530 122.330 122.820 0.068 0.000 1.865 1068 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 1068 A C 2.470 180.021 177.584 -0.056 0.000 1.191 1068 A CA 2.378 54.477 52.037 0.103 0.000 0.623 1068 A CB -1.442 17.673 19.000 0.192 0.000 0.826 1068 A HN 0.645 nan 8.150 nan 0.000 0.444 1069 A N -0.923 121.858 122.820 -0.066 0.000 1.927 1069 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 1069 A C 2.158 179.679 177.584 -0.106 0.000 1.185 1069 A CA 2.013 53.990 52.037 -0.100 0.000 0.639 1069 A CB -0.619 18.307 19.000 -0.122 0.000 0.820 1069 A HN 0.708 nan 8.150 nan 0.000 0.451 1070 Q N -0.808 118.929 119.800 -0.104 0.000 2.020 1070 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 1070 Q C 2.349 178.278 176.000 -0.117 0.000 0.974 1070 Q CA 1.468 57.214 55.803 -0.096 0.000 0.829 1070 Q CB -0.192 28.513 28.738 -0.054 0.000 0.894 1070 Q HN 0.634 nan 8.270 nan 0.000 0.433 1071 S N 0.753 116.338 115.700 -0.191 0.000 2.493 1071 S HA -0.105 4.365 4.470 -0.000 0.000 0.243 1071 S C 1.758 176.251 174.600 -0.179 0.000 0.991 1071 S CA 0.874 58.916 58.200 -0.264 0.000 0.957 1071 S CB -0.141 62.640 63.200 -0.700 0.000 0.756 1071 S HN 0.292 nan 8.310 nan 0.000 0.521 1072 I N 0.255 120.746 120.570 -0.133 0.000 2.927 1072 I HA 0.085 4.255 4.170 -0.000 0.000 0.268 1072 I C 2.622 178.686 176.117 -0.089 0.000 1.153 1072 I CA 0.691 61.936 61.300 -0.092 0.000 1.459 1072 I CB -0.674 37.285 38.000 -0.069 0.000 1.149 1072 I HN 0.317 nan 8.210 nan 0.000 0.443 1073 G N 0.440 109.181 108.800 -0.098 0.000 2.408 1073 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 1073 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 1073 G C 1.566 176.400 174.900 -0.109 0.000 1.150 1073 G CA 0.361 45.405 45.100 -0.094 0.000 0.776 1073 G HN 0.228 nan 8.290 nan 0.000 0.542 1074 E N 0.890 121.003 120.200 -0.145 0.000 2.028 1074 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 1074 E C -0.108 176.415 176.600 -0.129 0.000 0.988 1074 E CA 1.076 57.355 56.400 -0.203 0.000 0.799 1074 E CB -0.658 28.809 29.700 -0.389 0.000 0.755 1074 E HN 0.325 nan 8.360 nan 0.000 0.447 1075 P HA -0.022 nan 4.420 nan 0.000 0.239 1075 P C 0.567 177.832 177.300 -0.058 0.000 1.184 1075 P CA 0.897 63.961 63.100 -0.059 0.000 0.760 1075 P CB 0.066 31.736 31.700 -0.049 0.000 0.884 1076 A N -0.095 122.686 122.820 -0.066 0.000 1.984 1076 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 1076 A C 2.004 179.561 177.584 -0.045 0.000 1.173 1076 A CA 1.253 53.259 52.037 -0.052 0.000 0.673 1076 A CB -1.333 17.637 19.000 -0.051 0.000 0.830 1076 A HN 0.151 nan 8.150 nan 0.000 0.453 1077 T N 0.274 114.794 114.554 -0.057 0.000 3.160 1077 T HA -0.018 4.332 4.350 -0.000 0.000 0.257 1077 T C 1.515 176.189 174.700 -0.044 0.000 1.147 1077 T CA 0.754 62.825 62.100 -0.049 0.000 1.064 1077 T CB -0.009 68.821 68.868 -0.063 0.000 0.949 1077 T HN 0.393 nan 8.240 nan 0.000 0.526 1078 Q N 0.370 120.144 119.800 -0.044 0.000 2.402 1078 Q HA 0.277 4.617 4.340 -0.000 0.000 0.206 1078 Q C 0.618 176.603 176.000 -0.025 0.000 0.919 1078 Q CA 0.289 56.072 55.803 -0.034 0.000 0.923 1078 Q CB -0.057 28.662 28.738 -0.032 0.000 1.048 1078 Q HN 0.563 nan 8.270 nan 0.000 0.515 1079 M N 1.430 121.015 119.600 -0.026 0.000 2.146 1079 M HA 0.163 4.643 4.480 -0.000 0.000 0.352 1079 M C -0.626 175.664 176.300 -0.015 0.000 1.343 1079 M CA 0.628 55.916 55.300 -0.021 0.000 1.115 1079 M CB 0.834 33.421 32.600 -0.023 0.000 1.657 1079 M HN -0.225 nan 8.290 nan 0.000 0.471 1080 T N 4.269 118.816 114.554 -0.012 0.000 3.483 1080 T HA 0.470 4.820 4.350 -0.000 0.000 0.329 1080 T C -0.465 174.232 174.700 -0.005 0.000 1.014 1080 T CA -0.707 61.387 62.100 -0.009 0.000 1.056 1080 T CB 1.218 70.079 68.868 -0.010 0.000 1.090 1080 T HN 0.493 nan 8.240 nan 0.000 0.460 1093 K N 1.704 122.118 120.400 0.023 0.000 2.954 1093 K HA 0.307 4.627 4.320 -0.000 0.000 0.171 1093 K C -0.852 175.765 176.600 0.029 0.000 1.079 1093 K CA -0.367 55.932 56.287 0.021 0.000 0.908 1093 K CB 1.578 34.089 32.500 0.018 0.000 1.142 1093 K HN -0.081 nan 8.250 nan 0.000 0.613 1094 V N 0.113 120.045 119.914 0.030 0.000 3.040 1094 V HA 0.326 4.446 4.120 -0.000 0.000 0.312 1094 V C 0.212 176.326 176.094 0.032 0.000 1.115 1094 V CA -0.986 61.336 62.300 0.037 0.000 0.998 1094 V CB 2.216 34.068 31.823 0.050 0.000 1.042 1094 V HN 0.346 nan 8.190 nan 0.000 0.433 1095 T N 3.341 117.917 114.554 0.037 0.000 2.751 1095 T HA 0.440 4.790 4.350 -0.000 0.000 0.290 1095 T C 0.182 174.902 174.700 0.034 0.000 0.919 1095 T CA 0.099 62.220 62.100 0.035 0.000 1.136 1095 T CB 0.041 68.934 68.868 0.040 0.000 0.875 1095 T HN 0.980 nan 8.240 nan 0.000 0.532 1096 S N 2.312 118.026 115.700 0.023 0.000 2.697 1096 S HA 0.954 5.424 4.470 -0.000 0.000 0.289 1096 S C 0.260 174.864 174.600 0.007 0.000 1.149 1096 S CA -0.259 57.949 58.200 0.014 0.000 0.850 1096 S CB 1.713 64.918 63.200 0.008 0.000 1.151 1096 S HN 1.312 nan 8.310 nan 0.000 0.491 1097 G N -0.057 108.742 108.800 -0.003 0.000 2.681 1097 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 1097 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 1097 G C 0.546 175.446 174.900 0.001 0.000 1.353 1097 G CA -0.112 44.984 45.100 -0.006 0.000 0.872 1097 G HN 1.599 nan 8.290 nan 0.000 0.557 1098 V N 2.258 122.173 119.914 0.002 0.000 2.236 1098 V HA -0.236 3.884 4.120 -0.000 0.000 0.255 1098 V C 0.888 176.996 176.094 0.024 0.000 1.068 1098 V CA 3.464 65.770 62.300 0.011 0.000 1.044 1098 V CB -1.603 30.227 31.823 0.012 0.000 0.653 1098 V HN 0.790 nan 8.190 nan 0.000 0.448 1099 P HA -0.185 nan 4.420 nan 0.000 0.218 1099 P C 1.566 178.892 177.300 0.044 0.000 1.149 1099 P CA 1.603 64.725 63.100 0.036 0.000 0.817 1099 P CB -0.088 31.630 31.700 0.030 0.000 0.785 1100 R N 0.218 120.740 120.500 0.036 0.000 2.073 1100 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 1100 R C 2.263 178.587 176.300 0.039 0.000 1.120 1100 R CA 0.987 57.113 56.100 0.043 0.000 0.967 1100 R CB -1.801 28.518 30.300 0.032 0.000 0.862 1100 R HN 0.072 nan 8.270 nan 0.000 0.436 1101 L N 1.016 122.251 121.223 0.020 0.000 2.046 1101 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 1101 L C 2.161 179.051 176.870 0.033 0.000 1.077 1101 L CA 1.953 56.798 54.840 0.008 0.000 0.747 1101 L CB -0.569 41.487 42.059 -0.005 0.000 0.896 1101 L HN 0.214 nan 8.230 nan 0.000 0.432 1102 K N -0.549 119.883 120.400 0.053 0.000 2.026 1102 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 1102 K C 2.144 178.805 176.600 0.101 0.000 1.048 1102 K CA 1.863 58.199 56.287 0.083 0.000 0.929 1102 K CB -0.156 32.397 32.500 0.088 0.000 0.713 1102 K HN 0.433 nan 8.250 nan 0.000 0.439 1103 E N 0.442 120.701 120.200 0.098 0.000 2.097 1103 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 1103 E C 1.959 178.670 176.600 0.184 0.000 1.000 1103 E CA 1.631 58.107 56.400 0.126 0.000 0.804 1103 E CB -0.041 29.728 29.700 0.114 0.000 0.740 1103 E HN 0.318 nan 8.360 nan 0.000 0.454 1104 I N 0.318 120.977 120.570 0.147 0.000 2.133 1104 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 1104 I C 2.273 178.483 176.117 0.156 0.000 1.074 1104 I CA 0.947 62.329 61.300 0.137 0.000 1.342 1104 I CB -0.254 37.699 38.000 -0.079 0.000 1.053 1104 I HN 0.145 nan 8.210 nan 0.000 0.404 1105 L N 0.493 121.768 121.223 0.086 0.000 2.191 1105 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 1105 L C 2.001 178.951 176.870 0.133 0.000 1.103 1105 L CA 0.987 55.875 54.840 0.079 0.000 0.769 1105 L CB -0.772 41.308 42.059 0.034 0.000 0.908 1105 L HN 0.342 nan 8.230 nan 0.000 0.438 1106 N N -0.060 118.734 118.700 0.157 0.000 2.494 1106 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 1106 N C 0.527 176.150 175.510 0.189 0.000 1.076 1106 N CA 0.448 53.604 53.050 0.177 0.000 0.908 1106 N CB 0.384 38.971 38.487 0.167 0.000 0.967 1106 N HN 0.019 nan 8.380 nan 0.000 0.449 1107 V N 0.735 120.790 119.914 0.234 0.000 5.915 1107 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 1107 V C 0.495 176.653 176.094 0.107 0.000 0.647 1107 V CA 0.407 62.847 62.300 0.233 0.000 0.573 1107 V CB -2.538 29.405 31.823 0.200 0.000 0.266 1107 V HN 0.374 nan 8.190 nan 0.000 0.580 1108 A N 1.643 124.532 122.820 0.114 0.000 2.388 1108 A HA 0.640 4.960 4.320 -0.000 0.000 0.257 1108 A C 0.960 178.535 177.584 -0.014 0.000 1.095 1108 A CA 0.302 52.375 52.037 0.060 0.000 0.791 1108 A CB 0.814 19.864 19.000 0.083 0.000 1.029 1108 A HN 0.587 nan 8.150 nan 0.000 0.489 1109 K N 0.940 121.326 120.400 -0.023 0.000 2.361 1109 K HA 0.059 4.379 4.320 -0.000 0.000 0.196 1109 K C 0.360 176.938 176.600 -0.036 0.000 1.039 1109 K CA 1.137 57.392 56.287 -0.053 0.000 1.001 1109 K CB 0.195 32.667 32.500 -0.047 0.000 0.795 1109 K HN 0.721 nan 8.250 nan 0.000 0.495 1110 N N 1.794 120.489 118.700 -0.010 0.000 2.320 1110 N HA 0.068 4.808 4.740 -0.000 0.000 0.237 1110 N C -0.238 175.277 175.510 0.008 0.000 1.129 1110 N CA -0.069 52.979 53.050 -0.003 0.000 0.854 1110 N CB 0.034 38.524 38.487 0.005 0.000 1.083 1110 N HN 0.319 nan 8.380 nan 0.000 0.504 1111 M N -0.697 118.909 119.600 0.010 0.000 2.235 1111 M HA 0.035 4.515 4.480 -0.000 0.000 0.336 1111 M C 0.792 177.108 176.300 0.026 0.000 1.146 1111 M CA 0.587 55.905 55.300 0.031 0.000 1.018 1111 M CB 0.736 33.364 32.600 0.047 0.000 1.694 1111 M HN -0.189 nan 8.290 nan 0.000 0.451 1112 K N 1.110 121.530 120.400 0.034 0.000 2.062 1112 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 1112 K C 0.202 176.818 176.600 0.026 0.000 1.051 1112 K CA 1.327 57.630 56.287 0.027 0.000 0.941 1112 K CB 0.136 32.653 32.500 0.029 0.000 0.719 1112 K HN 0.794 nan 8.250 nan 0.000 0.440 1113 T N 2.458 117.033 114.554 0.034 0.000 3.155 1113 T HA 0.166 4.516 4.350 -0.000 0.000 0.384 1113 T C -2.193 172.529 174.700 0.036 0.000 1.351 1113 T CA -1.388 60.732 62.100 0.034 0.000 1.198 1113 T CB 1.548 70.440 68.868 0.039 0.000 1.106 1113 T HN 0.002 nan 8.240 nan 0.000 0.564 1114 P HA -0.005 nan 4.420 nan 0.000 0.206 1114 P C 0.405 177.712 177.300 0.012 0.000 1.209 1114 P CA 0.627 63.734 63.100 0.012 0.000 0.923 1114 P CB -0.004 31.692 31.700 -0.005 0.000 0.761 1115 S N -1.788 113.916 115.700 0.008 0.000 3.223 1115 S HA -0.154 4.316 4.470 -0.000 0.000 0.856 1115 S C -0.908 173.688 174.600 -0.007 0.000 1.079 1115 S CA -0.223 57.985 58.200 0.013 0.000 1.166 1115 S CB -1.323 61.901 63.200 0.039 0.000 0.818 1115 S HN 0.302 nan 8.310 nan 0.000 0.256 1116 L N 4.627 125.848 121.223 -0.003 0.000 2.446 1116 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 1116 L C -0.090 176.779 176.870 -0.002 0.000 0.975 1116 L CA -0.015 54.817 54.840 -0.013 0.000 0.848 1116 L CB 2.102 44.153 42.059 -0.014 0.000 1.225 1116 L HN 0.761 nan 8.230 nan 0.000 0.410 1117 T N 4.397 118.970 114.554 0.030 0.000 2.738 1117 T HA 0.479 4.829 4.350 -0.000 0.000 0.298 1117 T C -0.249 174.399 174.700 -0.086 0.000 0.962 1117 T CA -0.327 61.751 62.100 -0.036 0.000 0.972 1117 T CB 0.673 69.585 68.868 0.074 0.000 0.928 1117 T HN 0.427 nan 8.240 nan 0.000 0.474 1118 V N 2.411 122.212 119.914 -0.188 0.000 2.435 1118 V HA 0.741 4.861 4.120 -0.000 0.000 0.290 1118 V C -1.306 174.653 176.094 -0.225 0.000 1.030 1118 V CA -1.001 61.241 62.300 -0.097 0.000 0.881 1118 V CB 0.641 32.451 31.823 -0.021 0.000 0.983 1118 V HN 0.685 nan 8.190 nan 0.000 0.445 1119 Y N 3.636 123.950 120.300 0.023 0.000 2.528 1119 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 1119 Y C 0.101 176.027 175.900 0.043 0.000 1.093 1119 Y CA -1.085 57.030 58.100 0.025 0.000 1.134 1119 Y CB 1.498 39.981 38.460 0.039 0.000 1.253 1119 Y HN 0.517 nan 8.280 nan 0.000 0.478 1120 L N 0.830 122.182 121.223 0.215 0.000 2.468 1120 L HA 0.224 4.564 4.340 -0.000 0.000 0.254 1120 L C 0.430 177.396 176.870 0.160 0.000 1.171 1120 L CA -0.792 54.146 54.840 0.163 0.000 0.809 1120 L CB 0.173 42.335 42.059 0.171 0.000 1.155 1120 L HN 0.597 nan 8.230 nan 0.000 0.473 1121 E N 1.490 121.784 120.200 0.156 0.000 2.415 1121 E HA -0.005 4.345 4.350 -0.000 0.000 0.262 1121 E C -1.524 175.137 176.600 0.103 0.000 1.038 1121 E CA -1.154 55.330 56.400 0.140 0.000 0.921 1121 E CB 0.593 30.411 29.700 0.196 0.000 0.950 1121 E HN 0.379 nan 8.360 nan 0.000 0.438 1122 P HA -0.243 nan 4.420 nan 0.000 0.214 1122 P C 1.185 178.469 177.300 -0.028 0.000 1.172 1122 P CA 1.784 64.889 63.100 0.008 0.000 0.925 1122 P CB -0.018 31.674 31.700 -0.014 0.000 0.793 1123 G N -1.040 107.692 108.800 -0.114 0.000 2.442 1123 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 1123 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 1123 G C 0.771 175.527 174.900 -0.241 0.000 1.141 1123 G CA 0.721 45.680 45.100 -0.235 0.000 0.763 1123 G HN 0.406 nan 8.290 nan 0.000 0.554 1124 H N 0.638 119.734 119.070 0.044 0.000 2.638 1124 H HA 0.510 5.065 4.556 -0.000 0.000 0.232 1124 H C 1.422 176.801 175.328 0.085 0.000 1.756 1124 H CA 0.210 56.290 56.048 0.055 0.000 1.234 1124 H CB 0.222 30.009 29.762 0.041 0.000 1.616 1124 H HN 0.346 nan 8.280 nan 0.000 0.510 1125 A N 0.300 123.214 122.820 0.158 0.000 2.195 1125 A HA 0.309 4.629 4.320 -0.000 0.000 0.210 1125 A C 2.146 179.858 177.584 0.213 0.000 1.165 1125 A CA 0.799 52.938 52.037 0.169 0.000 0.806 1125 A CB 0.302 19.369 19.000 0.111 0.000 0.847 1125 A HN 0.481 nan 8.150 nan 0.000 0.482 1126 A N -0.790 122.151 122.820 0.202 0.000 2.035 1126 A HA 0.176 4.496 4.320 -0.000 0.000 0.208 1126 A C 0.341 178.097 177.584 0.287 0.000 1.206 1126 A CA -0.007 52.169 52.037 0.232 0.000 0.773 1126 A CB -0.015 19.070 19.000 0.142 0.000 0.878 1126 A HN 0.273 nan 8.150 nan 0.000 0.469 1127 D N 1.105 121.628 120.400 0.203 0.000 2.433 1127 D HA 0.027 4.667 4.640 -0.000 0.000 0.274 1127 D C 1.117 177.423 176.300 0.009 0.000 1.344 1127 D CA 0.449 54.516 54.000 0.111 0.000 0.989 1127 D CB 1.116 41.971 40.800 0.092 0.000 1.116 1127 D HN 0.496 nan 8.370 nan 0.000 0.533 1128 Q N 3.262 123.026 119.800 -0.061 0.000 2.226 1128 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 1128 Q C 1.574 177.321 176.000 -0.421 0.000 0.975 1128 Q CA 1.517 57.066 55.803 -0.424 0.000 0.866 1128 Q CB 0.143 28.753 28.738 -0.213 0.000 0.915 1128 Q HN 0.615 nan 8.270 nan 0.000 0.440 1129 E N -0.559 119.511 120.200 -0.217 0.000 2.030 1129 E HA -0.245 4.105 4.350 -0.000 0.000 0.189 1129 E C 1.950 178.444 176.600 -0.178 0.000 0.974 1129 E CA 0.831 57.120 56.400 -0.185 0.000 0.807 1129 E CB -0.154 29.477 29.700 -0.114 0.000 0.771 1129 E HN 0.460 nan 8.360 nan 0.000 0.451 1130 Q N 0.958 120.677 119.800 -0.136 0.000 2.165 1130 Q HA -0.308 4.032 4.340 -0.000 0.000 0.215 1130 Q C 1.804 177.726 176.000 -0.130 0.000 1.010 1130 Q CA 2.763 58.489 55.803 -0.129 0.000 0.896 1130 Q CB -0.553 28.124 28.738 -0.101 0.000 0.956 1130 Q HN 0.363 nan 8.270 nan 0.000 0.413 1131 A N 0.430 123.151 122.820 -0.164 0.000 1.851 1131 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 1131 A C 1.996 179.463 177.584 -0.194 0.000 1.195 1131 A CA 2.043 53.976 52.037 -0.172 0.000 0.622 1131 A CB -0.698 18.137 19.000 -0.276 0.000 0.831 1131 A HN 0.506 nan 8.150 nan 0.000 0.444 1132 K N -0.409 119.837 120.400 -0.256 0.000 2.144 1132 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 1132 K C 1.864 178.367 176.600 -0.163 0.000 1.047 1132 K CA 1.730 57.879 56.287 -0.229 0.000 0.927 1132 K CB -0.546 31.818 32.500 -0.227 0.000 0.716 1132 K HN 0.519 nan 8.250 nan 0.000 0.454 1133 L N 0.496 121.637 121.223 -0.136 0.000 2.027 1133 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 1133 L C 2.330 179.149 176.870 -0.086 0.000 1.074 1133 L CA 1.166 55.944 54.840 -0.103 0.000 0.745 1133 L CB -0.438 41.562 42.059 -0.097 0.000 0.898 1133 L HN 0.153 nan 8.230 nan 0.000 0.433 1134 I N -0.494 120.026 120.570 -0.084 0.000 2.493 1134 I HA -0.252 3.918 4.170 -0.000 0.000 0.254 1134 I C 2.769 178.849 176.117 -0.061 0.000 1.160 1134 I CA 0.764 62.028 61.300 -0.060 0.000 1.445 1134 I CB -0.488 37.485 38.000 -0.046 0.000 1.086 1134 I HN 0.298 nan 8.210 nan 0.000 0.433 1135 R N 1.841 122.288 120.500 -0.089 0.000 2.103 1135 R HA -0.241 4.099 4.340 -0.000 0.000 0.234 1135 R C 2.446 178.706 176.300 -0.066 0.000 1.132 1135 R CA 2.671 58.713 56.100 -0.097 0.000 0.925 1135 R CB -0.466 29.732 30.300 -0.169 0.000 0.842 1135 R HN 0.430 nan 8.270 nan 0.000 0.430 1136 S N -0.428 115.228 115.700 -0.074 0.000 2.481 1136 S HA 0.078 4.548 4.470 -0.000 0.000 0.231 1136 S C 2.001 176.579 174.600 -0.037 0.000 0.996 1136 S CA 0.555 58.726 58.200 -0.049 0.000 0.942 1136 S CB 0.190 63.355 63.200 -0.057 0.000 0.768 1136 S HN 0.524 nan 8.310 nan 0.000 0.520 1137 A N 1.508 124.304 122.820 -0.040 0.000 1.968 1137 A HA 0.284 4.604 4.320 -0.000 0.000 0.217 1137 A C 2.058 179.635 177.584 -0.013 0.000 1.169 1137 A CA 0.921 52.941 52.037 -0.029 0.000 0.638 1137 A CB -0.466 18.514 19.000 -0.033 0.000 0.812 1137 A HN 0.589 nan 8.150 nan 0.000 0.446 1138 I N -1.024 119.541 120.570 -0.009 0.000 2.512 1138 I HA -0.001 4.169 4.170 -0.000 0.000 0.247 1138 I C 1.097 177.232 176.117 0.031 0.000 1.094 1138 I CA 0.001 61.306 61.300 0.008 0.000 1.427 1138 I CB -0.190 37.811 38.000 0.002 0.000 1.149 1138 I HN 0.314 nan 8.210 nan 0.000 0.438 1139 E N 1.897 122.113 120.200 0.027 0.000 2.652 1139 E HA -0.216 4.134 4.350 -0.000 0.000 0.255 1139 E C -0.167 176.478 176.600 0.075 0.000 0.952 1139 E CA 0.202 56.635 56.400 0.055 0.000 0.947 1139 E CB 0.212 29.942 29.700 0.050 0.000 0.912 1139 E HN 0.163 nan 8.360 nan 0.000 0.489 1140 H N 2.897 121.966 119.070 -0.001 0.000 2.690 1140 H HA 0.222 4.778 4.556 -0.000 0.000 0.314 1140 H C -1.141 174.183 175.328 -0.007 0.000 1.069 1140 H CA 0.194 56.237 56.048 -0.007 0.000 1.436 1140 H CB 0.871 30.629 29.762 -0.008 0.000 1.462 1140 H HN 0.299 nan 8.280 nan 0.000 0.511 1141 T N 5.450 119.698 114.554 -0.510 0.000 3.050 1141 T HA 0.241 4.591 4.350 -0.000 0.000 0.310 1141 T C -0.211 174.220 174.700 -0.449 0.000 0.978 1141 T CA -0.712 61.165 62.100 -0.373 0.000 1.013 1141 T CB 0.721 69.485 68.868 -0.173 0.000 1.000 1141 T HN 0.783 nan 8.240 nan 0.000 0.447 1142 T N 0.766 115.089 114.554 -0.386 0.000 2.852 1142 T HA 0.491 4.841 4.350 -0.000 0.000 0.281 1142 T C 1.358 175.985 174.700 -0.121 0.000 0.993 1142 T CA -0.838 61.132 62.100 -0.217 0.000 0.933 1142 T CB 0.605 69.412 68.868 -0.101 0.000 1.187 1142 T HN 0.210 nan 8.240 nan 0.000 0.559 1143 L N 0.294 121.474 121.223 -0.071 0.000 2.109 1143 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 1143 L C 2.587 179.436 176.870 -0.034 0.000 1.086 1143 L CA 1.697 56.508 54.840 -0.048 0.000 0.760 1143 L CB -1.047 40.999 42.059 -0.023 0.000 0.910 1143 L HN 0.811 nan 8.230 nan 0.000 0.437 1144 K N -0.447 119.939 120.400 -0.024 0.000 2.001 1144 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 1144 K C 2.134 178.723 176.600 -0.020 0.000 1.050 1144 K CA 2.124 58.404 56.287 -0.012 0.000 0.934 1144 K CB -0.262 32.238 32.500 -0.000 0.000 0.718 1144 K HN 0.592 nan 8.250 nan 0.000 0.443 1145 S N 0.058 115.738 115.700 -0.032 0.000 2.392 1145 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 1145 S C 1.937 176.519 174.600 -0.030 0.000 1.041 1145 S CA 1.829 60.010 58.200 -0.032 0.000 1.026 1145 S CB -0.638 62.534 63.200 -0.048 0.000 0.845 1145 S HN 0.186 nan 8.310 nan 0.000 0.465 1146 V N 0.938 120.830 119.914 -0.036 0.000 2.825 1146 V HA 0.064 4.184 4.120 -0.000 0.000 0.246 1146 V C 1.048 177.129 176.094 -0.022 0.000 1.068 1146 V CA 0.852 63.133 62.300 -0.033 0.000 1.088 1146 V CB -1.065 30.731 31.823 -0.045 0.000 0.733 1146 V HN 0.408 nan 8.190 nan 0.000 0.468 1147 T N 1.863 116.407 114.554 -0.017 0.000 2.829 1147 T HA 0.222 4.572 4.350 -0.000 0.000 0.293 1147 T C 1.355 176.055 174.700 -0.001 0.000 0.970 1147 T CA 0.322 62.418 62.100 -0.007 0.000 1.168 1147 T CB 0.806 69.673 68.868 -0.001 0.000 0.911 1147 T HN 0.159 nan 8.240 nan 0.000 0.535 1148 I N 2.007 122.579 120.570 0.004 0.000 2.202 1148 I HA 0.108 4.278 4.170 -0.000 0.000 0.242 1148 I C 1.358 177.483 176.117 0.013 0.000 1.091 1148 I CA 0.777 62.081 61.300 0.008 0.000 1.368 1148 I CB -0.122 37.885 38.000 0.011 0.000 1.058 1148 I HN 0.702 nan 8.210 nan 0.000 0.410 1149 A N -0.432 122.399 122.820 0.019 0.000 2.522 1149 A HA 0.563 4.883 4.320 -0.000 0.000 0.291 1149 A C -0.753 176.853 177.584 0.036 0.000 1.039 1149 A CA -0.224 51.828 52.037 0.025 0.000 0.643 1149 A CB 0.639 19.656 19.000 0.029 0.000 1.310 1149 A HN 0.130 nan 8.150 nan 0.000 0.436 1150 S N -0.361 115.362 115.700 0.039 0.000 2.689 1150 S HA 0.941 5.411 4.470 -0.000 0.000 0.306 1150 S C -0.579 174.066 174.600 0.075 0.000 1.104 1150 S CA -0.415 57.817 58.200 0.053 0.000 0.973 1150 S CB 1.951 65.173 63.200 0.037 0.000 1.121 1150 S HN 0.807 nan 8.310 nan 0.000 0.523 1151 E N -0.324 119.944 120.200 0.113 0.000 2.412 1151 E HA 0.455 4.805 4.350 -0.000 0.000 0.279 1151 E C -1.377 175.326 176.600 0.171 0.000 0.984 1151 E CA -0.650 55.838 56.400 0.147 0.000 0.788 1151 E CB 2.102 31.991 29.700 0.314 0.000 1.277 1151 E HN 0.622 nan 8.360 nan 0.000 0.455 1152 I N 2.953 123.591 120.570 0.113 0.000 2.833 1152 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 1152 I C -0.869 175.394 176.117 0.244 0.000 1.287 1152 I CA -0.489 60.910 61.300 0.165 0.000 1.046 1152 I CB -0.013 38.019 38.000 0.054 0.000 1.612 1152 I HN 0.392 nan 8.210 nan 0.000 0.585 1153 Y N 2.013 122.432 120.300 0.199 0.000 2.511 1153 Y HA -0.051 4.499 4.550 -0.000 0.000 0.347 1153 Y C 0.244 176.335 175.900 0.319 0.000 1.257 1153 Y CA 0.506 58.735 58.100 0.216 0.000 1.469 1153 Y CB 0.317 38.847 38.460 0.118 0.000 1.353 1153 Y HN 0.329 nan 8.280 nan 0.000 0.617 1154 Y N 2.702 123.141 120.300 0.231 0.000 2.700 1154 Y HA 0.263 4.813 4.550 -0.000 0.000 0.333 1154 Y C -0.846 175.032 175.900 -0.036 0.000 1.036 1154 Y CA -0.760 57.312 58.100 -0.047 0.000 1.287 1154 Y CB 0.093 38.425 38.460 -0.213 0.000 1.132 1154 Y HN 0.508 nan 8.280 nan 0.000 0.510 1155 D N 8.324 128.495 120.400 -0.382 0.000 2.446 1155 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 1155 D C -2.056 173.989 176.300 -0.423 0.000 1.137 1155 D CA -1.632 52.192 54.000 -0.293 0.000 0.890 1155 D CB 2.121 42.870 40.800 -0.085 0.000 1.071 1155 D HN 0.320 nan 8.370 nan 0.000 0.528 1156 P HA 0.010 nan 4.420 nan 0.000 0.227 1156 P C 0.153 177.338 177.300 -0.192 0.000 1.161 1156 P CA 0.305 63.163 63.100 -0.404 0.000 0.788 1156 P CB 0.768 32.245 31.700 -0.370 0.000 0.822 1157 D N 1.294 121.613 120.400 -0.136 0.000 2.396 1157 D HA 0.144 4.784 4.640 -0.000 0.000 0.225 1157 D C -1.466 174.816 176.300 -0.031 0.000 1.121 1157 D CA -2.480 51.476 54.000 -0.073 0.000 0.853 1157 D CB 1.045 41.812 40.800 -0.056 0.000 1.043 1157 D HN 0.011 nan 8.370 nan 0.000 0.500 1158 P HA -0.011 nan 4.420 nan 0.000 0.242 1158 P C 0.863 178.242 177.300 0.132 0.000 1.197 1158 P CA 0.379 63.531 63.100 0.085 0.000 0.765 1158 P CB 0.491 32.249 31.700 0.097 0.000 0.936 1159 R N -0.023 120.494 120.500 0.028 0.000 2.237 1159 R HA 0.153 4.493 4.340 -0.000 0.000 0.195 1159 R C 0.488 176.810 176.300 0.038 0.000 0.956 1159 R CA 0.579 56.678 56.100 -0.002 0.000 1.029 1159 R CB 0.345 30.573 30.300 -0.120 0.000 0.972 1159 R HN 0.227 nan 8.270 nan 0.000 0.493 1160 S N -0.247 115.465 115.700 0.021 0.000 2.572 1160 S HA 0.322 4.792 4.470 -0.000 0.000 0.274 1160 S C -0.416 174.186 174.600 0.003 0.000 1.150 1160 S CA -0.946 57.263 58.200 0.016 0.000 0.944 1160 S CB 2.245 65.445 63.200 -0.000 0.000 1.071 1160 S HN -0.060 nan 8.310 nan 0.000 0.479 1161 T N 1.988 116.543 114.554 0.002 0.000 2.868 1161 T HA 0.317 4.667 4.350 -0.000 0.000 0.292 1161 T C 1.400 176.092 174.700 -0.014 0.000 1.028 1161 T CA -0.670 61.419 62.100 -0.017 0.000 1.059 1161 T CB 1.076 69.922 68.868 -0.036 0.000 0.991 1161 T HN 0.539 nan 8.240 nan 0.000 0.531 1162 V N 0.816 120.724 119.914 -0.011 0.000 2.951 1162 V HA 0.093 4.213 4.120 -0.000 0.000 0.255 1162 V C 0.998 177.102 176.094 0.017 0.000 1.088 1162 V CA 0.766 63.082 62.300 0.026 0.000 1.109 1162 V CB -0.534 31.340 31.823 0.083 0.000 0.724 1162 V HN 0.679 nan 8.190 nan 0.000 0.471 1163 I N 2.517 123.056 120.570 -0.052 0.000 2.588 1163 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 1163 I C -0.670 175.421 176.117 -0.043 0.000 1.119 1163 I CA -1.248 59.998 61.300 -0.090 0.000 1.419 1163 I CB 0.733 38.590 38.000 -0.239 0.000 1.394 1163 I HN 0.082 nan 8.210 nan 0.000 0.562 1164 P HA -0.138 nan 4.420 nan 0.000 0.217 1164 P C 0.829 178.119 177.300 -0.016 0.000 1.151 1164 P CA 1.445 64.540 63.100 -0.008 0.000 0.828 1164 P CB 0.235 31.939 31.700 0.007 0.000 0.788 1165 E N -0.598 119.587 120.200 -0.026 0.000 2.318 1165 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 1165 E C 0.877 177.460 176.600 -0.030 0.000 0.998 1165 E CA 0.488 56.874 56.400 -0.023 0.000 0.859 1165 E CB -0.138 29.550 29.700 -0.019 0.000 0.812 1165 E HN 0.219 nan 8.360 nan 0.000 0.492 1166 D N 0.713 121.085 120.400 -0.046 0.000 2.360 1166 D HA -0.003 4.637 4.640 -0.000 0.000 0.210 1166 D C 1.289 177.574 176.300 -0.024 0.000 1.047 1166 D CA 0.167 54.142 54.000 -0.042 0.000 0.854 1166 D CB 0.191 40.948 40.800 -0.073 0.000 0.936 1166 D HN 0.126 nan 8.370 nan 0.000 0.514 1167 E N 0.800 120.987 120.200 -0.021 0.000 2.086 1167 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 1167 E C 1.731 178.331 176.600 0.000 0.000 1.012 1167 E CA 1.132 57.528 56.400 -0.007 0.000 0.812 1167 E CB 0.054 29.750 29.700 -0.007 0.000 0.743 1167 E HN 0.389 nan 8.360 nan 0.000 0.453 1168 E N 0.424 120.618 120.200 -0.010 0.000 2.106 1168 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 1168 E C 2.148 178.728 176.600 -0.032 0.000 0.984 1168 E CA 0.666 57.055 56.400 -0.019 0.000 0.806 1168 E CB -0.009 29.675 29.700 -0.026 0.000 0.750 1168 E HN 0.241 nan 8.360 nan 0.000 0.458 1169 I N 1.017 121.572 120.570 -0.025 0.000 2.163 1169 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 1169 I C 2.496 178.632 176.117 0.032 0.000 1.085 1169 I CA 1.035 62.318 61.300 -0.027 0.000 1.347 1169 I CB -0.281 37.728 38.000 0.016 0.000 1.044 1169 I HN 0.216 nan 8.210 nan 0.000 0.408 1170 I N 0.373 120.991 120.570 0.079 0.000 2.142 1170 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 1170 I C 2.666 178.906 176.117 0.206 0.000 1.078 1170 I CA 1.680 63.070 61.300 0.151 0.000 1.343 1170 I CB -0.472 37.607 38.000 0.133 0.000 1.046 1170 I HN 0.356 nan 8.210 nan 0.000 0.405 1171 Q N 0.369 120.261 119.800 0.154 0.000 2.197 1171 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 1171 Q C 1.735 177.830 176.000 0.159 0.000 0.984 1171 Q CA 1.216 57.128 55.803 0.182 0.000 0.869 1171 Q CB -0.129 28.653 28.738 0.073 0.000 0.906 1171 Q HN 0.547 nan 8.270 nan 0.000 0.426 1172 L N 0.507 121.716 121.223 -0.024 0.000 2.672 1172 L HA 0.041 4.381 4.340 -0.000 0.000 0.236 1172 L C 0.451 177.103 176.870 -0.363 0.000 1.186 1172 L CA -0.044 54.697 54.840 -0.164 0.000 0.977 1172 L CB -0.010 41.904 42.059 -0.241 0.000 1.203 1172 L HN 0.200 nan 8.230 nan 0.000 0.448 1173 H N -0.656 118.317 119.070 -0.162 0.000 2.528 1173 H HA 0.264 4.820 4.556 -0.000 0.000 0.256 1173 H C -0.256 174.570 175.328 -0.836 0.000 1.204 1173 H CA -0.109 55.658 56.048 -0.468 0.000 0.955 1173 H CB 0.317 29.742 29.762 -0.561 0.000 1.817 1173 H HN 0.246 nan 8.280 nan 0.000 0.579 1174 F N -0.522 119.458 119.950 0.050 0.000 2.993 1174 F HA 0.085 4.612 4.527 -0.000 0.000 0.338 1174 F C 0.792 176.594 175.800 0.005 0.000 1.199 1174 F CA -0.412 57.606 58.000 0.031 0.000 1.069 1174 F CB 0.562 39.574 39.000 0.020 0.000 1.294 1174 F HN -0.051 nan 8.300 nan 0.000 0.513 1175 S N 0.260 116.019 115.700 0.099 0.000 2.722 1175 S HA 0.816 5.286 4.470 -0.000 0.000 0.292 1175 S C -0.370 174.246 174.600 0.027 0.000 1.135 1175 S CA -0.733 57.500 58.200 0.055 0.000 1.003 1175 S CB 2.084 65.297 63.200 0.021 0.000 1.067 1175 S HN 0.110 nan 8.310 nan 0.000 0.546 1188 Q N 1.228 121.018 119.800 -0.017 0.000 2.330 1188 Q HA 0.340 4.680 4.340 -0.000 0.000 0.279 1188 Q C -0.631 175.387 176.000 0.030 0.000 1.024 1188 Q CA 0.279 56.095 55.803 0.022 0.000 0.900 1188 Q CB 1.082 29.837 28.738 0.029 0.000 1.221 1188 Q HN 0.374 nan 8.270 nan 0.000 0.396 1189 S N 2.056 117.794 115.700 0.063 0.000 2.610 1189 S HA 0.281 4.751 4.470 -0.000 0.000 0.273 1189 S C -1.704 172.896 174.600 -0.000 0.000 1.274 1189 S CA -1.682 56.559 58.200 0.067 0.000 1.023 1189 S CB 0.639 63.936 63.200 0.163 0.000 0.962 1189 S HN 0.469 nan 8.310 nan 0.000 0.523 1190 P HA 0.087 nan 4.420 nan 0.000 0.249 1190 P C -0.773 176.266 177.300 -0.434 0.000 1.241 1190 P CA 0.247 63.120 63.100 -0.379 0.000 0.781 1190 P CB -0.170 31.168 31.700 -0.603 0.000 1.088 1191 W N 0.921 122.207 121.300 -0.022 0.000 2.311 1191 W HA 0.383 5.043 4.660 -0.000 0.000 0.317 1191 W C 0.126 176.667 176.519 0.036 0.000 1.065 1191 W CA -1.020 56.349 57.345 0.041 0.000 1.364 1191 W CB 0.680 30.186 29.460 0.077 0.000 1.233 1191 W HN -0.147 nan 8.180 nan 0.000 0.409 1192 L N 5.165 126.568 121.223 0.300 0.000 2.326 1192 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 1192 L C -0.739 176.261 176.870 0.217 0.000 1.092 1192 L CA -0.537 54.424 54.840 0.203 0.000 0.810 1192 L CB 0.571 42.726 42.059 0.160 0.000 1.153 1192 L HN 0.307 nan 8.230 nan 0.000 0.439 1193 L N 5.896 127.197 121.223 0.129 0.000 2.316 1193 L HA 0.521 4.861 4.340 -0.000 0.000 0.280 1193 L C -0.635 176.282 176.870 0.078 0.000 1.006 1193 L CA -0.132 54.767 54.840 0.099 0.000 0.836 1193 L CB 0.848 42.930 42.059 0.038 0.000 1.221 1193 L HN 0.699 nan 8.230 nan 0.000 0.418 1194 R N 5.435 126.004 120.500 0.115 0.000 2.343 1194 R HA 0.703 5.043 4.340 -0.000 0.000 0.320 1194 R C -1.591 174.752 176.300 0.073 0.000 0.956 1194 R CA -0.579 55.572 56.100 0.084 0.000 0.836 1194 R CB 0.867 31.230 30.300 0.106 0.000 1.151 1194 R HN 0.705 nan 8.270 nan 0.000 0.450 1195 L N 2.900 124.148 121.223 0.042 0.000 2.346 1195 L HA 0.500 4.840 4.340 -0.000 0.000 0.276 1195 L C -0.209 176.679 176.870 0.029 0.000 1.006 1195 L CA -0.719 54.142 54.840 0.036 0.000 0.817 1195 L CB 1.994 44.066 42.059 0.022 0.000 1.272 1195 L HN 0.588 nan 8.230 nan 0.000 0.421 1196 E N 3.464 123.682 120.200 0.029 0.000 2.158 1196 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 1196 E C -1.507 175.101 176.600 0.013 0.000 0.911 1196 E CA -0.612 55.802 56.400 0.023 0.000 0.767 1196 E CB 1.500 31.217 29.700 0.028 0.000 1.120 1196 E HN 0.473 nan 8.360 nan 0.000 0.405 1197 L N 2.771 123.998 121.223 0.007 0.000 2.334 1197 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 1197 L C -0.054 176.815 176.870 -0.002 0.000 1.013 1197 L CA -1.153 53.685 54.840 -0.003 0.000 0.816 1197 L CB 1.427 43.476 42.059 -0.016 0.000 1.278 1197 L HN 0.513 nan 8.230 nan 0.000 0.431 1198 D N 1.245 121.641 120.400 -0.006 0.000 2.317 1198 D HA 0.080 4.720 4.640 -0.000 0.000 0.252 1198 D C 0.953 177.249 176.300 -0.008 0.000 1.174 1198 D CA 0.021 54.018 54.000 -0.005 0.000 0.866 1198 D CB 1.122 41.919 40.800 -0.006 0.000 1.127 1198 D HN 0.374 nan 8.370 nan 0.000 0.467 1199 R N 2.884 123.382 120.500 -0.004 0.000 2.293 1199 R HA -0.100 4.240 4.340 -0.000 0.000 0.219 1199 R C 1.483 177.780 176.300 -0.006 0.000 1.091 1199 R CA 1.076 57.173 56.100 -0.004 0.000 1.004 1199 R CB 0.172 30.472 30.300 0.000 0.000 0.865 1199 R HN 0.528 nan 8.270 nan 0.000 0.469 1200 A N 0.226 123.042 122.820 -0.007 0.000 1.855 1200 A HA 0.023 4.343 4.320 -0.000 0.000 0.213 1200 A C 2.233 179.811 177.584 -0.009 0.000 1.195 1200 A CA 1.139 53.172 52.037 -0.007 0.000 0.610 1200 A CB -0.586 18.410 19.000 -0.007 0.000 0.837 1200 A HN 0.395 nan 8.150 nan 0.000 0.444 1201 A N -0.926 121.886 122.820 -0.013 0.000 1.930 1201 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 1201 A C 2.175 179.747 177.584 -0.021 0.000 1.175 1201 A CA 1.833 53.861 52.037 -0.017 0.000 0.627 1201 A CB -0.476 18.511 19.000 -0.021 0.000 0.815 1201 A HN 0.416 nan 8.150 nan 0.000 0.443 1202 M N -0.105 119.482 119.600 -0.023 0.000 2.175 1202 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 1202 M C 1.686 177.971 176.300 -0.024 0.000 1.063 1202 M CA 1.111 56.394 55.300 -0.029 0.000 1.119 1202 M CB -1.344 31.239 32.600 -0.029 0.000 1.377 1202 M HN 0.425 nan 8.290 nan 0.000 0.415 1203 N N 0.534 119.224 118.700 -0.017 0.000 2.207 1203 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 1203 N C 1.344 176.847 175.510 -0.012 0.000 1.020 1203 N CA 1.262 54.303 53.050 -0.014 0.000 0.858 1203 N CB -0.262 38.219 38.487 -0.009 0.000 0.991 1203 N HN 0.342 nan 8.380 nan 0.000 0.427 1204 D N 0.757 121.154 120.400 -0.006 0.000 2.108 1204 D HA -0.099 4.541 4.640 -0.000 0.000 0.190 1204 D C -0.132 176.171 176.300 0.004 0.000 0.995 1204 D CA 1.409 55.413 54.000 0.007 0.000 0.834 1204 D CB 0.123 40.932 40.800 0.016 0.000 0.967 1204 D HN 0.146 nan 8.370 nan 0.000 0.446 1205 K N 1.221 121.618 120.400 -0.004 0.000 2.262 1205 K HA 0.148 4.468 4.320 -0.000 0.000 0.282 1205 K C -0.866 175.715 176.600 -0.032 0.000 1.066 1205 K CA -0.483 55.795 56.287 -0.015 0.000 0.901 1205 K CB 1.210 33.699 32.500 -0.018 0.000 1.089 1205 K HN 0.089 nan 8.250 nan 0.000 0.476 1206 D N 4.146 124.524 120.400 -0.037 0.000 2.668 1206 D HA -0.080 4.560 4.640 -0.000 0.000 0.285 1206 D C -0.486 175.786 176.300 -0.048 0.000 1.492 1206 D CA 1.052 55.027 54.000 -0.042 0.000 1.237 1206 D CB -0.139 40.633 40.800 -0.046 0.000 1.153 1206 D HN 0.322 nan 8.370 nan 0.000 0.571 1207 L N 1.415 122.609 121.223 -0.048 0.000 2.464 1207 L HA 0.265 4.605 4.340 -0.000 0.000 0.266 1207 L C 0.146 176.979 176.870 -0.061 0.000 0.965 1207 L CA -0.597 54.206 54.840 -0.061 0.000 0.833 1207 L CB 2.484 44.501 42.059 -0.070 0.000 1.296 1207 L HN -0.078 nan 8.230 nan 0.000 0.405 1208 T N 2.539 117.048 114.554 -0.074 0.000 2.895 1208 T HA 0.297 4.647 4.350 -0.000 0.000 0.283 1208 T C 1.259 175.882 174.700 -0.129 0.000 1.014 1208 T CA -0.686 61.371 62.100 -0.071 0.000 1.037 1208 T CB 1.692 70.530 68.868 -0.050 0.000 1.006 1208 T HN 0.440 nan 8.240 nan 0.000 0.468 1209 M N 1.935 121.463 119.600 -0.120 0.000 2.103 1209 M HA -0.129 4.351 4.480 -0.000 0.000 0.255 1209 M C 2.520 178.494 176.300 -0.544 0.000 1.074 1209 M CA 2.054 57.212 55.300 -0.237 0.000 1.090 1209 M CB -1.754 30.807 32.600 -0.065 0.000 1.325 1209 M HN 0.864 nan 8.290 nan 0.000 0.403 1210 G N -0.621 107.962 108.800 -0.362 0.000 2.418 1210 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 1210 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 1210 G C 1.505 176.170 174.900 -0.392 0.000 1.158 1210 G CA 0.607 45.472 45.100 -0.392 0.000 0.771 1210 G HN 0.561 nan 8.290 nan 0.000 0.545 1211 Q N -0.220 119.434 119.800 -0.243 0.000 2.096 1211 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 1211 Q C 2.883 178.734 176.000 -0.249 0.000 0.982 1211 Q CA 1.556 57.243 55.803 -0.192 0.000 0.850 1211 Q CB -0.279 28.381 28.738 -0.129 0.000 0.901 1211 Q HN 0.424 nan 8.270 nan 0.000 0.422 1212 V N 0.283 120.015 119.914 -0.304 0.000 2.270 1212 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 1212 V C 2.265 178.143 176.094 -0.361 0.000 1.043 1212 V CA 2.035 64.166 62.300 -0.281 0.000 1.014 1212 V CB -1.283 30.388 31.823 -0.254 0.000 0.645 1212 V HN 0.523 nan 8.190 nan 0.000 0.447 1213 G N -0.819 107.579 108.800 -0.670 0.000 2.418 1213 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 1213 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 1213 G C 1.475 176.057 174.900 -0.530 0.000 1.158 1213 G CA 0.757 45.355 45.100 -0.838 0.000 0.771 1213 G HN 0.563 nan 8.290 nan 0.000 0.545 1214 E N -0.497 119.409 120.200 -0.489 0.000 2.427 1214 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 1214 E C 2.533 179.072 176.600 -0.101 0.000 1.028 1214 E CA -0.004 56.293 56.400 -0.172 0.000 0.864 1214 E CB 0.156 29.801 29.700 -0.092 0.000 0.813 1214 E HN 0.174 nan 8.360 nan 0.000 0.514 1215 R N 0.916 121.334 120.500 -0.137 0.000 2.066 1215 R HA 0.022 4.362 4.340 -0.000 0.000 0.224 1215 R C 1.937 178.202 176.300 -0.060 0.000 1.122 1215 R CA 0.972 57.017 56.100 -0.092 0.000 0.974 1215 R CB -0.369 29.868 30.300 -0.104 0.000 0.871 1215 R HN 0.092 nan 8.270 nan 0.000 0.435 1216 I N 0.729 121.269 120.570 -0.049 0.000 2.194 1216 I HA -0.345 3.825 4.170 -0.000 0.000 0.246 1216 I C 2.385 178.601 176.117 0.165 0.000 1.093 1216 I CA 1.594 62.935 61.300 0.069 0.000 1.355 1216 I CB -0.343 37.695 38.000 0.063 0.000 1.046 1216 I HN 0.213 nan 8.210 nan 0.000 0.413 1217 K N 0.913 121.371 120.400 0.095 0.000 2.026 1217 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 1217 K C 2.183 178.857 176.600 0.124 0.000 1.048 1217 K CA 1.953 58.328 56.287 0.145 0.000 0.929 1217 K CB -0.099 32.477 32.500 0.127 0.000 0.713 1217 K HN 0.497 nan 8.250 nan 0.000 0.439 1218 Q N -0.784 119.045 119.800 0.048 0.000 2.436 1218 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 1218 Q C 1.180 177.158 176.000 -0.038 0.000 0.965 1218 Q CA 1.338 57.151 55.803 0.016 0.000 0.910 1218 Q CB 0.139 28.875 28.738 -0.004 0.000 0.980 1218 Q HN 0.092 nan 8.270 nan 0.000 0.491 1219 T N 0.436 114.930 114.554 -0.099 0.000 2.770 1219 T HA -0.005 4.345 4.350 -0.000 0.000 0.263 1219 T C 0.778 175.246 174.700 -0.387 0.000 1.039 1219 T CA 1.072 62.982 62.100 -0.316 0.000 1.142 1219 T CB -0.155 68.382 68.868 -0.551 0.000 0.868 1219 T HN 0.358 nan 8.240 nan 0.000 0.435 1220 F N 1.158 121.120 119.950 0.021 0.000 2.765 1220 F HA 0.350 4.876 4.527 -0.000 0.000 0.302 1220 F C 1.436 177.259 175.800 0.038 0.000 1.111 1220 F CA -0.500 57.519 58.000 0.031 0.000 1.359 1220 F CB -0.282 38.741 39.000 0.039 0.000 1.097 1220 F HN 0.011 nan 8.300 nan 0.000 0.577 1221 K N 0.087 120.582 120.400 0.157 0.000 8.153 1221 K HA -0.374 3.946 4.320 -0.000 0.000 0.389 1221 K C 0.031 176.711 176.600 0.133 0.000 0.556 1221 K CA 2.261 58.615 56.287 0.112 0.000 1.356 1221 K CB -1.083 31.459 32.500 0.070 0.000 0.798 1221 K HN 0.184 nan 8.250 nan 0.000 1.027 1222 N N 1.033 119.806 118.700 0.121 0.000 2.723 1222 N HA 0.150 4.890 4.740 -0.000 0.000 0.290 1222 N C -1.454 174.118 175.510 0.103 0.000 1.882 1222 N CA 0.176 53.290 53.050 0.106 0.000 0.851 1222 N CB 0.724 39.256 38.487 0.074 0.000 1.234 1222 N HN 0.477 nan 8.380 nan 0.000 0.491 1223 D N -0.401 120.077 120.400 0.129 0.000 2.583 1223 D HA 0.089 4.729 4.640 -0.000 0.000 0.282 1223 D C -0.670 175.680 176.300 0.082 0.000 1.485 1223 D CA -0.143 53.918 54.000 0.101 0.000 0.834 1223 D CB -0.044 40.818 40.800 0.103 0.000 1.258 1223 D HN 0.099 nan 8.370 nan 0.000 0.470 1224 L N 1.103 122.391 121.223 0.107 0.000 2.493 1224 L HA 0.548 4.888 4.340 -0.000 0.000 0.265 1224 L C -2.003 174.978 176.870 0.186 0.000 0.954 1224 L CA -0.770 54.109 54.840 0.064 0.000 0.844 1224 L CB 2.538 44.520 42.059 -0.127 0.000 1.302 1224 L HN -0.092 nan 8.230 nan 0.000 0.405 1225 F N 5.455 125.404 119.950 -0.000 0.000 2.408 1225 F HA 0.780 5.307 4.527 -0.000 0.000 0.344 1225 F C -0.834 174.977 175.800 0.019 0.000 1.112 1225 F CA -0.730 57.278 58.000 0.013 0.000 1.096 1225 F CB 1.370 40.371 39.000 0.002 0.000 1.129 1225 F HN 0.152 nan 8.300 nan 0.000 0.486 1226 V N 7.446 127.075 119.914 -0.475 0.000 2.638 1226 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 1226 V C -0.259 175.523 176.094 -0.520 0.000 1.052 1226 V CA -0.801 61.294 62.300 -0.342 0.000 0.885 1226 V CB 1.778 33.626 31.823 0.041 0.000 0.999 1226 V HN 0.659 nan 8.190 nan 0.000 0.424 1227 I N 3.575 123.908 120.570 -0.395 0.000 2.969 1227 I HA 0.728 4.898 4.170 -0.000 0.000 0.307 1227 I C -1.300 174.782 176.117 -0.059 0.000 1.149 1227 I CA -0.558 60.422 61.300 -0.533 0.000 1.008 1227 I CB 2.657 40.230 38.000 -0.711 0.000 1.232 1227 I HN 0.926 nan 8.210 nan 0.000 0.435 1228 W N 2.129 123.270 121.300 -0.265 0.000 3.146 1228 W HA 0.662 5.322 4.660 -0.000 0.000 0.319 1228 W C -1.201 175.311 176.519 -0.012 0.000 1.258 1228 W CA -0.943 56.332 57.345 -0.117 0.000 1.189 1228 W CB 0.240 29.643 29.460 -0.094 0.000 1.412 1228 W HN 0.446 nan 8.180 nan 0.000 0.567 1229 S N 0.371 116.195 115.700 0.207 0.000 2.592 1229 S HA 0.319 4.789 4.470 -0.000 0.000 0.271 1229 S C -0.124 174.605 174.600 0.216 0.000 1.326 1229 S CA -0.782 57.502 58.200 0.138 0.000 1.024 1229 S CB 1.155 64.409 63.200 0.090 0.000 0.921 1229 S HN 0.566 nan 8.310 nan 0.000 0.527 1230 E N 0.783 121.057 120.200 0.124 0.000 2.404 1230 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 1230 E C 0.376 177.043 176.600 0.112 0.000 1.074 1230 E CA -0.274 56.207 56.400 0.136 0.000 0.917 1230 E CB 0.376 30.113 29.700 0.061 0.000 0.965 1230 E HN 0.621 nan 8.360 nan 0.000 0.433 1231 D N 1.880 122.344 120.400 0.106 0.000 2.228 1231 D HA -0.191 4.449 4.640 -0.000 0.000 0.203 1231 D C 1.187 177.511 176.300 0.041 0.000 0.988 1231 D CA 0.857 54.895 54.000 0.064 0.000 0.864 1231 D CB 0.094 40.922 40.800 0.047 0.000 0.928 1231 D HN 0.375 nan 8.370 nan 0.000 0.469 1232 N N 1.095 119.817 118.700 0.036 0.000 2.166 1232 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 1232 N C 0.327 175.848 175.510 0.018 0.000 1.019 1232 N CA 0.703 53.765 53.050 0.021 0.000 0.856 1232 N CB -0.083 38.413 38.487 0.015 0.000 0.993 1232 N HN 0.210 nan 8.380 nan 0.000 0.426 1233 D N 0.694 121.108 120.400 0.023 0.000 2.443 1233 D HA -0.095 4.545 4.640 -0.000 0.000 0.234 1233 D C 1.300 177.611 176.300 0.017 0.000 1.172 1233 D CA 0.311 54.322 54.000 0.018 0.000 0.878 1233 D CB 0.606 41.420 40.800 0.024 0.000 1.204 1233 D HN 0.435 nan 8.370 nan 0.000 0.453 1234 E N 0.881 121.088 120.200 0.012 0.000 2.358 1234 E HA -0.076 4.273 4.350 -0.000 0.000 0.195 1234 E C -0.043 176.564 176.600 0.012 0.000 1.010 1234 E CA 0.812 57.218 56.400 0.010 0.000 0.856 1234 E CB 0.234 29.938 29.700 0.007 0.000 0.795 1234 E HN 0.145 nan 8.360 nan 0.000 0.504 1235 K N 1.654 122.063 120.400 0.015 0.000 2.527 1235 K HA 0.303 4.623 4.320 -0.000 0.000 0.240 1235 K C -0.919 175.697 176.600 0.026 0.000 0.989 1235 K CA -0.398 55.898 56.287 0.016 0.000 0.985 1235 K CB 1.441 33.947 32.500 0.010 0.000 1.221 1235 K HN 0.129 nan 8.250 nan 0.000 0.458 1236 L N 5.396 126.636 121.223 0.029 0.000 2.485 1236 L HA 0.313 4.652 4.340 -0.000 0.000 0.279 1236 L C -0.031 176.863 176.870 0.040 0.000 1.124 1236 L CA 0.168 55.033 54.840 0.042 0.000 0.888 1236 L CB -0.354 41.721 42.059 0.027 0.000 1.217 1236 L HN 0.395 nan 8.230 nan 0.000 0.464 1237 I N 4.233 124.840 120.570 0.061 0.000 2.619 1237 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 1237 I C -0.415 175.750 176.117 0.080 0.000 1.100 1237 I CA -0.381 60.947 61.300 0.048 0.000 1.043 1237 I CB 2.709 40.722 38.000 0.021 0.000 1.239 1237 I HN 0.388 nan 8.210 nan 0.000 0.420 1238 I N 4.855 125.460 120.570 0.058 0.000 2.530 1238 I HA 0.546 4.716 4.170 -0.000 0.000 0.297 1238 I C -0.424 175.706 176.117 0.021 0.000 1.011 1238 I CA -0.668 60.675 61.300 0.072 0.000 1.107 1238 I CB 1.846 39.873 38.000 0.044 0.000 1.285 1238 I HN 0.439 nan 8.210 nan 0.000 0.436 1239 R N 4.166 124.659 120.500 -0.012 0.000 2.561 1239 R HA 0.678 5.018 4.340 -0.000 0.000 0.297 1239 R C -1.716 174.530 176.300 -0.091 0.000 0.969 1239 R CA -0.519 55.550 56.100 -0.051 0.000 0.879 1239 R CB 1.971 32.223 30.300 -0.080 0.000 1.178 1239 R HN 0.588 nan 8.270 nan 0.000 0.445 1240 C N 2.351 121.625 119.300 -0.045 0.000 2.431 1240 C HA 0.562 5.022 4.460 -0.000 0.000 0.321 1240 C C -0.331 174.665 174.990 0.009 0.000 1.202 1240 C CA -1.011 57.977 59.018 -0.049 0.000 1.398 1240 C CB 1.239 28.943 27.740 -0.061 0.000 2.047 1240 C HN 0.797 nan 8.230 nan 0.000 0.465 1241 R N 2.131 122.660 120.500 0.048 0.000 2.532 1241 R HA 0.635 4.975 4.340 -0.000 0.000 0.297 1241 R C -0.406 175.958 176.300 0.108 0.000 0.984 1241 R CA -0.525 55.642 56.100 0.113 0.000 0.884 1241 R CB 1.697 32.105 30.300 0.180 0.000 1.182 1241 R HN 0.572 nan 8.270 nan 0.000 0.442 1242 V N 2.009 121.970 119.914 0.077 0.000 3.747 1242 V HA 0.140 4.260 4.120 -0.000 0.000 0.299 1242 V C 0.566 176.706 176.094 0.077 0.000 1.103 1242 V CA -0.064 62.269 62.300 0.054 0.000 1.154 1242 V CB 0.701 32.558 31.823 0.056 0.000 1.127 1242 V HN 0.563 nan 8.190 nan 0.000 0.482 1255 E N 0.290 120.515 120.200 0.040 0.000 4.675 1255 E HA -0.155 4.195 4.350 -0.000 0.000 0.163 1255 E C 0.056 176.685 176.600 0.049 0.000 1.720 1255 E CA 0.728 57.155 56.400 0.045 0.000 1.052 1255 E CB -0.370 29.349 29.700 0.032 0.000 1.047 1255 E HN 0.632 nan 8.360 nan 0.000 0.344 1256 E N 1.220 121.445 120.200 0.042 0.000 2.256 1256 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 1256 E C 1.053 177.639 176.600 -0.023 0.000 0.908 1256 E CA 0.241 56.658 56.400 0.027 0.000 0.915 1256 E CB 0.148 29.881 29.700 0.054 0.000 0.890 1256 E HN 0.421 nan 8.360 nan 0.000 0.484 1257 D N 0.946 121.299 120.400 -0.077 0.000 2.158 1257 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 1257 D C 1.817 178.050 176.300 -0.111 0.000 0.995 1257 D CA 1.070 54.966 54.000 -0.173 0.000 0.846 1257 D CB -0.153 40.523 40.800 -0.205 0.000 0.941 1257 D HN 0.231 nan 8.370 nan 0.000 0.456 1258 H N 0.484 119.507 119.070 -0.077 0.000 2.326 1258 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 1258 H C 2.359 177.664 175.328 -0.038 0.000 1.081 1258 H CA 0.863 56.881 56.048 -0.050 0.000 1.334 1258 H CB -0.024 29.720 29.762 -0.030 0.000 1.385 1258 H HN 0.135 nan 8.280 nan 0.000 0.504 1259 M N -0.099 119.573 119.600 0.121 0.000 2.080 1259 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 1259 M C 1.682 177.992 176.300 0.018 0.000 1.068 1259 M CA 0.960 56.301 55.300 0.068 0.000 1.109 1259 M CB -0.311 32.318 32.600 0.048 0.000 1.342 1259 M HN 0.056 nan 8.290 nan 0.000 0.405 1260 L N 0.645 121.851 121.223 -0.029 0.000 2.933 1260 L HA -0.038 4.302 4.340 -0.000 0.000 0.258 1260 L C 1.100 177.924 176.870 -0.077 0.000 1.253 1260 L CA 1.134 55.934 54.840 -0.067 0.000 1.096 1260 L CB -0.690 41.309 42.059 -0.099 0.000 1.432 1260 L HN 0.141 nan 8.230 nan 0.000 0.418 1261 K N -2.042 118.331 120.400 -0.046 0.000 2.864 1261 K HA 0.126 4.446 4.320 -0.000 0.000 0.192 1261 K C 1.653 178.256 176.600 0.005 0.000 1.576 1261 K CA -0.107 56.151 56.287 -0.047 0.000 1.283 1261 K CB 0.346 32.781 32.500 -0.109 0.000 1.778 1261 K HN 0.029 nan 8.250 nan 0.000 0.611 1262 K N 1.239 121.667 120.400 0.047 0.000 2.103 1262 K HA -0.041 4.279 4.320 -0.000 0.000 0.207 1262 K C 1.892 178.547 176.600 0.092 0.000 1.048 1262 K CA 1.308 57.643 56.287 0.081 0.000 0.930 1262 K CB -0.018 32.550 32.500 0.113 0.000 0.716 1262 K HN 0.112 nan 8.250 nan 0.000 0.444 1263 I N 0.915 121.535 120.570 0.084 0.000 2.202 1263 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 1263 I C 2.568 178.743 176.117 0.098 0.000 1.091 1263 I CA 1.236 62.605 61.300 0.115 0.000 1.368 1263 I CB -0.232 37.750 38.000 -0.031 0.000 1.058 1263 I HN 0.203 nan 8.210 nan 0.000 0.410 1264 E N 1.494 121.713 120.200 0.032 0.000 2.130 1264 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 1264 E C 1.825 178.454 176.600 0.048 0.000 0.998 1264 E CA 1.883 58.298 56.400 0.026 0.000 0.806 1264 E CB -0.170 29.526 29.700 -0.006 0.000 0.738 1264 E HN 0.384 nan 8.360 nan 0.000 0.459 1265 N N -0.572 118.158 118.700 0.051 0.000 2.251 1265 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 1265 N C 1.666 177.218 175.510 0.069 0.000 1.019 1265 N CA 1.685 54.765 53.050 0.049 0.000 0.862 1265 N CB -0.520 37.990 38.487 0.038 0.000 0.992 1265 N HN 0.248 nan 8.380 nan 0.000 0.429 1266 T N 2.034 116.647 114.554 0.098 0.000 2.685 1266 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 1266 T C 2.039 176.809 174.700 0.118 0.000 1.034 1266 T CA 1.250 63.417 62.100 0.112 0.000 1.149 1266 T CB -0.102 68.876 68.868 0.183 0.000 0.860 1266 T HN 0.237 nan 8.240 nan 0.000 0.449 1267 M N 0.155 119.856 119.600 0.169 0.000 2.077 1267 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 1267 M C 2.390 178.732 176.300 0.070 0.000 1.070 1267 M CA 1.530 56.921 55.300 0.153 0.000 1.125 1267 M CB -0.591 32.107 32.600 0.162 0.000 1.339 1267 M HN 0.196 nan 8.290 nan 0.000 0.409 1268 L N -0.457 120.799 121.223 0.055 0.000 2.083 1268 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 1268 L C 1.861 178.747 176.870 0.026 0.000 1.083 1268 L CA 1.437 56.295 54.840 0.031 0.000 0.752 1268 L CB -0.406 41.669 42.059 0.026 0.000 0.899 1268 L HN 0.416 nan 8.230 nan 0.000 0.433 1269 E N -1.756 118.465 120.200 0.035 0.000 2.421 1269 E HA 0.029 4.379 4.350 -0.000 0.000 0.209 1269 E C 1.504 178.130 176.600 0.043 0.000 0.871 1269 E CA -0.145 56.278 56.400 0.039 0.000 1.064 1269 E CB 0.372 30.093 29.700 0.036 0.000 1.075 1269 E HN 0.358 nan 8.360 nan 0.000 0.513 1270 N N 0.826 119.546 118.700 0.032 0.000 2.368 1270 N HA 0.080 4.820 4.740 -0.000 0.000 0.176 1270 N C 0.558 176.067 175.510 -0.001 0.000 1.021 1270 N CA 0.388 53.448 53.050 0.016 0.000 0.888 1270 N CB 0.692 39.180 38.487 0.002 0.000 0.995 1270 N HN 0.096 nan 8.380 nan 0.000 0.437 1271 I N 2.257 122.819 120.570 -0.013 0.000 2.505 1271 I HA -0.021 4.149 4.170 -0.000 0.000 0.287 1271 I C -0.070 176.027 176.117 -0.032 0.000 1.104 1271 I CA 0.336 61.612 61.300 -0.041 0.000 1.387 1271 I CB 0.484 38.460 38.000 -0.040 0.000 1.404 1271 I HN -0.166 nan 8.210 nan 0.000 0.528 1272 T N 7.694 122.231 114.554 -0.028 0.000 2.729 1272 T HA 0.171 4.521 4.350 -0.000 0.000 0.296 1272 T C 1.018 175.674 174.700 -0.075 0.000 0.928 1272 T CA -0.538 61.541 62.100 -0.035 0.000 1.045 1272 T CB 1.475 70.369 68.868 0.044 0.000 0.902 1272 T HN 0.319 nan 8.240 nan 0.000 0.500 1273 L N 2.828 123.981 121.223 -0.117 0.000 2.023 1273 L HA 0.286 4.626 4.340 -0.000 0.000 0.205 1273 L C 1.220 178.034 176.870 -0.094 0.000 1.073 1273 L CA 1.564 56.339 54.840 -0.109 0.000 0.745 1273 L CB -0.252 41.734 42.059 -0.122 0.000 0.900 1273 L HN 0.542 nan 8.230 nan 0.000 0.435 1274 R N -1.881 118.555 120.500 -0.108 0.000 2.579 1274 R HA 0.496 4.836 4.340 -0.000 0.000 0.260 1274 R C -0.931 175.336 176.300 -0.055 0.000 1.103 1274 R CA 0.136 56.193 56.100 -0.072 0.000 0.942 1274 R CB 1.260 31.517 30.300 -0.070 0.000 1.251 1274 R HN 0.259 nan 8.270 nan 0.000 0.450 1275 G N 0.851 109.652 108.800 0.001 0.000 2.434 1275 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.671 1275 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.671 1275 G C -1.681 173.287 174.900 0.114 0.000 1.280 1275 G CA -0.520 44.611 45.100 0.052 0.000 0.975 1275 G HN 0.526 nan 8.290 nan 0.000 0.510 1276 V N 1.102 121.083 119.914 0.111 0.000 2.483 1276 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 1276 V C 0.932 177.041 176.094 0.024 0.000 1.035 1276 V CA 0.007 62.346 62.300 0.065 0.000 0.896 1276 V CB 1.344 33.179 31.823 0.021 0.000 0.986 1276 V HN 1.157 nan 8.190 nan 0.000 0.447 1277 E N 4.213 124.363 120.200 -0.083 0.000 2.442 1277 E HA 0.061 4.411 4.350 -0.000 0.000 0.260 1277 E C 0.481 176.922 176.600 -0.265 0.000 1.148 1277 E CA 0.061 56.255 56.400 -0.343 0.000 0.976 1277 E CB 0.126 29.676 29.700 -0.249 0.000 0.967 1277 E HN 0.629 nan 8.360 nan 0.000 0.454 1278 N N -0.718 117.783 118.700 -0.331 0.000 2.804 1278 N HA -0.246 4.494 4.740 -0.000 0.000 0.220 1278 N C -0.105 175.342 175.510 -0.105 0.000 0.878 1278 N CA 1.881 54.827 53.050 -0.173 0.000 1.387 1278 N CB -1.367 37.056 38.487 -0.107 0.000 0.940 1278 N HN 0.599 nan 8.380 nan 0.000 0.592 1279 I N 2.922 123.446 120.570 -0.076 0.000 2.357 1279 I HA -0.004 4.166 4.170 -0.000 0.000 0.300 1279 I C 1.550 177.695 176.117 0.048 0.000 1.159 1279 I CA 0.328 61.627 61.300 -0.002 0.000 1.339 1279 I CB 0.222 38.231 38.000 0.015 0.000 1.458 1279 I HN 0.142 nan 8.210 nan 0.000 0.577 1280 E N 5.390 125.612 120.200 0.036 0.000 2.044 1280 E HA 0.102 4.452 4.350 -0.000 0.000 0.209 1280 E C 0.767 177.403 176.600 0.061 0.000 0.917 1280 E CA 0.162 56.598 56.400 0.060 0.000 0.963 1280 E CB 0.187 29.910 29.700 0.038 0.000 0.919 1280 E HN 0.497 nan 8.360 nan 0.000 0.528 1281 R N 0.283 120.810 120.500 0.046 0.000 2.822 1281 R HA 0.313 4.653 4.340 -0.000 0.000 0.277 1281 R C -0.802 175.542 176.300 0.073 0.000 1.102 1281 R CA -0.022 56.112 56.100 0.057 0.000 1.207 1281 R CB 0.621 30.945 30.300 0.040 0.000 1.139 1281 R HN 0.074 nan 8.270 nan 0.000 0.557 1282 V N 1.126 121.105 119.914 0.110 0.000 2.775 1282 V HA 0.164 4.284 4.120 -0.000 0.000 0.295 1282 V C -0.962 175.203 176.094 0.117 0.000 1.226 1282 V CA -0.776 61.573 62.300 0.081 0.000 0.934 1282 V CB 2.072 33.922 31.823 0.045 0.000 1.056 1282 V HN 0.457 nan 8.190 nan 0.000 0.436 1283 V N 4.231 124.194 119.914 0.082 0.000 2.815 1283 V HA 0.590 4.710 4.120 -0.000 0.000 0.314 1283 V C -0.015 176.107 176.094 0.047 0.000 1.064 1283 V CA -0.832 61.526 62.300 0.096 0.000 0.952 1283 V CB 2.243 34.141 31.823 0.125 0.000 1.020 1283 V HN 0.813 nan 8.190 nan 0.000 0.439 1284 M N 4.609 124.243 119.600 0.058 0.000 2.084 1284 M HA 0.493 4.973 4.480 -0.000 0.000 0.351 1284 M C -0.853 175.641 176.300 0.324 0.000 1.240 1284 M CA 0.092 55.480 55.300 0.147 0.000 1.083 1284 M CB 0.989 33.594 32.600 0.009 0.000 1.593 1284 M HN 0.469 nan 8.290 nan 0.000 0.463 1285 M N 2.591 122.354 119.600 0.271 0.000 2.528 1285 M HA 0.387 4.867 4.480 -0.000 0.000 0.321 1285 M C -0.502 175.799 176.300 0.003 0.000 1.153 1285 M CA -0.554 54.855 55.300 0.182 0.000 0.951 1285 M CB 2.166 34.863 32.600 0.162 0.000 1.705 1285 M HN 0.478 nan 8.290 nan 0.000 0.451 1286 K N 2.371 122.641 120.400 -0.216 0.000 2.244 1286 K HA 0.333 4.653 4.320 -0.000 0.000 0.263 1286 K C -1.216 175.352 176.600 -0.054 0.000 1.103 1286 K CA -0.090 55.906 56.287 -0.487 0.000 0.966 1286 K CB 0.348 32.374 32.500 -0.790 0.000 1.429 1286 K HN 0.546 nan 8.250 nan 0.000 0.434 1287 Y N 1.471 121.664 120.300 -0.180 0.000 2.357 1287 Y HA -0.007 4.543 4.550 -0.000 0.000 0.340 1287 Y C 0.766 176.628 175.900 -0.064 0.000 1.260 1287 Y CA -0.682 57.376 58.100 -0.070 0.000 1.425 1287 Y CB 0.814 39.283 38.460 0.016 0.000 1.326 1287 Y HN 0.451 nan 8.280 nan 0.000 0.580 1288 D N 2.959 123.383 120.400 0.041 0.000 2.232 1288 D HA 0.230 4.870 4.640 -0.000 0.000 0.242 1288 D C -0.593 175.743 176.300 0.059 0.000 1.093 1288 D CA -0.188 53.822 54.000 0.015 0.000 0.845 1288 D CB 1.456 42.237 40.800 -0.032 0.000 1.124 1288 D HN 0.384 nan 8.370 nan 0.000 0.467 1289 R N 2.398 122.938 120.500 0.068 0.000 2.514 1289 R HA 0.195 4.535 4.340 -0.000 0.000 0.296 1289 R C -0.789 175.559 176.300 0.080 0.000 1.012 1289 R CA -0.709 55.442 56.100 0.085 0.000 0.897 1289 R CB 1.368 31.733 30.300 0.108 0.000 1.184 1289 R HN 0.216 nan 8.270 nan 0.000 0.440 1290 K N 2.911 123.374 120.400 0.105 0.000 2.322 1290 K HA 0.334 4.654 4.320 -0.000 0.000 0.283 1290 K C -0.766 175.960 176.600 0.211 0.000 1.042 1290 K CA -0.324 56.067 56.287 0.173 0.000 0.958 1290 K CB 1.565 34.190 32.500 0.208 0.000 0.984 1290 K HN 0.232 nan 8.250 nan 0.000 0.473 1291 V N 4.546 124.530 119.914 0.117 0.000 2.841 1291 V HA 0.252 4.372 4.120 -0.000 0.000 0.310 1291 V C -2.507 173.439 176.094 -0.247 0.000 1.090 1291 V CA -2.390 59.891 62.300 -0.032 0.000 0.930 1291 V CB 1.891 33.700 31.823 -0.025 0.000 1.014 1291 V HN 0.658 nan 8.190 nan 0.000 0.425 1292 P HA 0.123 nan 4.420 nan 0.000 0.266 1292 P C -0.092 177.044 177.300 -0.273 0.000 1.215 1292 P CA 0.515 63.272 63.100 -0.570 0.000 0.763 1292 P CB 0.541 31.944 31.700 -0.496 0.000 0.806 1293 S N 4.904 120.477 115.700 -0.211 0.000 2.593 1293 S HA 0.187 4.657 4.470 -0.000 0.000 0.269 1293 S C -0.912 173.626 174.600 -0.102 0.000 1.334 1293 S CA -1.445 56.686 58.200 -0.115 0.000 1.015 1293 S CB -0.112 63.044 63.200 -0.072 0.000 0.912 1293 S HN 0.330 nan 8.310 nan 0.000 0.541 1294 P HA -0.084 nan 4.420 nan 0.000 0.218 1294 P C 1.334 178.606 177.300 -0.046 0.000 1.148 1294 P CA 1.195 64.261 63.100 -0.056 0.000 0.822 1294 P CB -0.319 31.358 31.700 -0.038 0.000 0.784 1295 T N -2.821 111.711 114.554 -0.037 0.000 3.072 1295 T HA 0.206 4.556 4.350 -0.000 0.000 0.266 1295 T C 1.363 176.051 174.700 -0.021 0.000 1.127 1295 T CA 1.709 63.797 62.100 -0.020 0.000 1.107 1295 T CB -0.516 68.347 68.868 -0.008 0.000 0.910 1295 T HN 0.323 nan 8.240 nan 0.000 0.513 1296 G N 0.630 109.400 108.800 -0.051 0.000 3.151 1296 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.197 1296 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.197 1296 G C -0.284 174.575 174.900 -0.068 0.000 1.682 1296 G CA -0.171 44.894 45.100 -0.058 0.000 1.205 1296 G HN 0.612 nan 8.290 nan 0.000 0.510 1297 E N 0.666 120.858 120.200 -0.013 0.000 2.458 1297 E HA 0.397 4.747 4.350 -0.000 0.000 0.264 1297 E C -0.544 176.055 176.600 -0.002 0.000 1.097 1297 E CA -0.043 56.380 56.400 0.039 0.000 0.973 1297 E CB 0.283 30.013 29.700 0.050 0.000 0.963 1297 E HN 0.422 nan 8.360 nan 0.000 0.451 1298 Y N 0.611 120.908 120.300 -0.005 0.000 2.436 1298 Y HA 0.263 4.813 4.550 -0.000 0.000 0.336 1298 Y C -0.076 175.821 175.900 -0.006 0.000 1.049 1298 Y CA -0.246 57.851 58.100 -0.006 0.000 1.294 1298 Y CB 0.563 39.021 38.460 -0.004 0.000 1.179 1298 Y HN 0.166 nan 8.280 nan 0.000 0.520 1299 V N 4.047 123.999 119.914 0.063 0.000 2.864 1299 V HA 0.356 4.476 4.120 -0.000 0.000 0.314 1299 V C -0.550 175.574 176.094 0.050 0.000 1.073 1299 V CA -1.849 60.479 62.300 0.046 0.000 0.956 1299 V CB 1.992 33.820 31.823 0.009 0.000 1.023 1299 V HN 0.524 nan 8.190 nan 0.000 0.435 1300 K N 2.612 123.035 120.400 0.039 0.000 2.315 1300 K HA 0.260 4.580 4.320 -0.000 0.000 0.291 1300 K C -0.157 176.453 176.600 0.016 0.000 1.074 1300 K CA 0.080 56.385 56.287 0.031 0.000 0.936 1300 K CB 0.761 33.271 32.500 0.017 0.000 1.049 1300 K HN 0.665 nan 8.250 nan 0.000 0.471 1301 E N 5.379 125.592 120.200 0.020 0.000 2.546 1301 E HA 0.154 4.504 4.350 -0.000 0.000 0.227 1301 E C -2.273 174.332 176.600 0.008 0.000 1.009 1301 E CA -2.298 54.109 56.400 0.011 0.000 0.813 1301 E CB 0.624 30.332 29.700 0.012 0.000 1.269 1301 E HN 0.323 nan 8.360 nan 0.000 0.432 1302 P HA -0.075 nan 4.420 nan 0.000 0.264 1302 P C -0.916 176.336 177.300 -0.080 0.000 1.183 1302 P CA 0.483 63.547 63.100 -0.060 0.000 0.763 1302 P CB 0.551 32.177 31.700 -0.123 0.000 0.807 1303 E N 1.279 121.438 120.200 -0.068 0.000 2.343 1303 E HA 0.474 4.823 4.350 -0.000 0.000 0.270 1303 E C -1.420 175.125 176.600 -0.091 0.000 0.895 1303 E CA -0.964 55.423 56.400 -0.022 0.000 0.767 1303 E CB 0.854 30.616 29.700 0.103 0.000 1.248 1303 E HN 0.254 nan 8.360 nan 0.000 0.440 1304 W N 1.788 123.110 121.300 0.036 0.000 2.287 1304 W HA 0.473 5.133 4.660 -0.000 0.000 0.313 1304 W C -0.686 175.773 176.519 -0.099 0.000 1.267 1304 W CA -0.270 57.060 57.345 -0.024 0.000 1.201 1304 W CB 1.241 30.689 29.460 -0.019 0.000 1.196 1304 W HN 0.251 nan 8.180 nan 0.000 0.536 1305 V N 4.940 124.858 119.914 0.006 0.000 2.876 1305 V HA 0.433 4.553 4.120 -0.000 0.000 0.312 1305 V C -0.407 175.545 176.094 -0.237 0.000 1.085 1305 V CA -1.257 60.848 62.300 -0.324 0.000 0.945 1305 V CB 1.975 33.236 31.823 -0.938 0.000 1.017 1305 V HN 0.261 nan 8.190 nan 0.000 0.428 1306 L N 3.387 124.462 121.223 -0.246 0.000 2.276 1306 L HA 0.531 4.871 4.340 -0.000 0.000 0.286 1306 L C 0.052 176.829 176.870 -0.155 0.000 1.024 1306 L CA -0.338 54.417 54.840 -0.142 0.000 0.826 1306 L CB 1.261 43.269 42.059 -0.086 0.000 1.211 1306 L HN 0.648 nan 8.230 nan 0.000 0.422 1307 E N 1.985 122.126 120.200 -0.098 0.000 2.259 1307 E HA 0.302 4.652 4.350 -0.000 0.000 0.281 1307 E C -0.369 176.232 176.600 0.002 0.000 1.027 1307 E CA -0.175 56.204 56.400 -0.035 0.000 0.838 1307 E CB 1.765 31.481 29.700 0.027 0.000 1.066 1307 E HN 0.421 nan 8.360 nan 0.000 0.401 1308 T N 1.232 115.789 114.554 0.007 0.000 2.937 1308 T HA 0.225 4.575 4.350 -0.000 0.000 0.283 1308 T C -0.305 174.410 174.700 0.025 0.000 1.012 1308 T CA -0.622 61.487 62.100 0.016 0.000 0.997 1308 T CB 0.662 69.533 68.868 0.004 0.000 1.136 1308 T HN 0.360 nan 8.240 nan 0.000 0.551 1309 D N 0.698 121.112 120.400 0.024 0.000 2.819 1309 D HA 0.376 5.016 4.640 -0.000 0.000 0.326 1309 D C 0.004 176.311 176.300 0.011 0.000 1.408 1309 D CA -0.035 53.978 54.000 0.022 0.000 0.811 1309 D CB 0.796 41.612 40.800 0.026 0.000 1.148 1309 D HN 0.677 nan 8.370 nan 0.000 0.457 1310 G N -0.508 108.293 108.800 0.003 0.000 2.616 1310 G HA2 0.417 4.377 3.960 -0.000 0.000 0.294 1310 G HA3 0.417 4.377 3.960 -0.000 0.000 0.294 1310 G C -1.600 173.289 174.900 -0.018 0.000 1.489 1310 G CA -0.384 44.710 45.100 -0.011 0.000 0.836 1310 G HN -0.052 nan 8.290 nan 0.000 0.527 1311 V N 2.057 121.953 119.914 -0.029 0.000 2.444 1311 V HA 0.641 4.761 4.120 -0.000 0.000 0.294 1311 V C -0.608 175.462 176.094 -0.040 0.000 1.022 1311 V CA -0.924 61.355 62.300 -0.034 0.000 0.850 1311 V CB 1.720 33.519 31.823 -0.041 0.000 0.992 1311 V HN 0.726 nan 8.190 nan 0.000 0.426 1312 N N 4.279 122.959 118.700 -0.034 0.000 2.751 1312 N HA 0.152 4.892 4.740 -0.000 0.000 0.238 1312 N C 0.159 175.657 175.510 -0.021 0.000 1.351 1312 N CA -0.371 52.659 53.050 -0.032 0.000 0.751 1312 N CB 1.627 40.092 38.487 -0.037 0.000 1.342 1312 N HN 0.537 nan 8.380 nan 0.000 0.540 1313 L N 2.782 123.993 121.223 -0.020 0.000 2.072 1313 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 1313 L C 2.223 179.093 176.870 -0.000 0.000 1.079 1313 L CA 2.123 56.958 54.840 -0.008 0.000 0.752 1313 L CB -0.536 41.516 42.059 -0.012 0.000 0.906 1313 L HN 0.580 nan 8.230 nan 0.000 0.436 1314 S N -1.530 114.166 115.700 -0.006 0.000 2.419 1314 S HA -0.216 4.254 4.470 -0.000 0.000 0.235 1314 S C 1.752 176.352 174.600 0.001 0.000 1.019 1314 S CA 1.590 59.789 58.200 -0.001 0.000 0.982 1314 S CB -0.536 62.660 63.200 -0.007 0.000 0.789 1314 S HN 0.664 nan 8.310 nan 0.000 0.490 1315 E N 0.160 120.359 120.200 -0.002 0.000 2.251 1315 E HA 0.137 4.487 4.350 -0.000 0.000 0.194 1315 E C 1.760 178.363 176.600 0.005 0.000 0.964 1315 E CA 0.471 56.871 56.400 -0.000 0.000 0.868 1315 E CB 0.190 29.887 29.700 -0.005 0.000 0.828 1315 E HN 0.382 nan 8.360 nan 0.000 0.481 1316 V N 1.413 121.332 119.914 0.007 0.000 3.041 1316 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 1316 V C 2.118 178.226 176.094 0.023 0.000 1.105 1316 V CA 1.013 63.321 62.300 0.013 0.000 1.125 1316 V CB -0.343 31.487 31.823 0.011 0.000 0.730 1316 V HN 0.301 nan 8.190 nan 0.000 0.479 1317 M N 0.846 120.462 119.600 0.027 0.000 2.086 1317 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 1317 M C 2.505 178.823 176.300 0.030 0.000 1.067 1317 M CA 2.375 57.697 55.300 0.036 0.000 1.116 1317 M CB -0.825 31.796 32.600 0.034 0.000 1.348 1317 M HN 0.600 nan 8.290 nan 0.000 0.407 1318 T N -1.249 113.317 114.554 0.021 0.000 3.007 1318 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 1318 T C 0.709 175.418 174.700 0.015 0.000 1.107 1318 T CA 0.145 62.254 62.100 0.016 0.000 1.118 1318 T CB -0.832 68.042 68.868 0.011 0.000 0.889 1318 T HN 0.102 nan 8.240 nan 0.000 0.506 1319 V N 4.807 124.730 119.914 0.015 0.000 2.694 1319 V HA 0.211 4.331 4.120 -0.000 0.000 0.306 1319 V C -1.643 174.459 176.094 0.014 0.000 1.054 1319 V CA -1.402 60.904 62.300 0.010 0.000 1.161 1319 V CB 0.344 32.172 31.823 0.009 0.000 0.916 1319 V HN 0.479 nan 8.190 nan 0.000 0.490 1320 P HA 0.391 nan 4.420 nan 0.000 0.282 1320 P C 0.706 178.009 177.300 0.004 0.000 1.249 1320 P CA 0.646 63.751 63.100 0.008 0.000 0.806 1320 P CB 1.561 33.260 31.700 -0.001 0.000 0.984 1321 G N 2.138 110.949 108.800 0.018 0.000 2.317 1321 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.227 1321 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.227 1321 G C 0.275 175.209 174.900 0.055 0.000 1.042 1321 G CA 0.213 45.324 45.100 0.018 0.000 0.623 1321 G HN 0.741 nan 8.290 nan 0.000 0.509 1322 I N -0.661 119.940 120.570 0.053 0.000 3.079 1322 I HA 0.683 4.853 4.170 -0.000 0.000 0.295 1322 I C -0.122 176.051 176.117 0.094 0.000 1.094 1322 I CA -0.699 60.648 61.300 0.078 0.000 1.295 1322 I CB 0.678 38.719 38.000 0.069 0.000 1.443 1322 I HN -0.035 nan 8.210 nan 0.000 0.607 1323 D N 3.605 124.078 120.400 0.123 0.000 2.359 1323 D HA 0.291 4.931 4.640 -0.000 0.000 0.230 1323 D C -1.764 174.598 176.300 0.103 0.000 1.118 1323 D CA -2.139 51.925 54.000 0.105 0.000 0.844 1323 D CB 1.584 42.449 40.800 0.109 0.000 1.059 1323 D HN 0.390 nan 8.370 nan 0.000 0.493 1324 P HA -0.014 nan 4.420 nan 0.000 0.231 1324 P C 1.118 178.456 177.300 0.065 0.000 1.168 1324 P CA 0.382 63.524 63.100 0.069 0.000 0.779 1324 P CB 0.523 32.254 31.700 0.050 0.000 0.844 1325 T N 0.305 114.887 114.554 0.047 0.000 2.857 1325 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 1325 T C 1.714 176.432 174.700 0.030 0.000 1.048 1325 T CA 1.072 63.190 62.100 0.029 0.000 1.139 1325 T CB -0.219 68.652 68.868 0.005 0.000 0.874 1325 T HN 0.228 nan 8.240 nan 0.000 0.455 1326 R N 0.047 120.564 120.500 0.029 0.000 2.362 1326 R HA 0.379 4.719 4.340 -0.000 0.000 0.227 1326 R C 0.482 176.898 176.300 0.194 0.000 0.905 1326 R CA -0.219 55.865 56.100 -0.027 0.000 1.067 1326 R CB 0.115 30.241 30.300 -0.291 0.000 1.078 1326 R HN 0.349 nan 8.270 nan 0.000 0.516 1327 I N 1.783 122.498 120.570 0.241 0.000 2.662 1327 I HA -0.112 4.058 4.170 -0.000 0.000 0.285 1327 I C -0.716 175.600 176.117 0.332 0.000 1.161 1327 I CA 0.284 61.761 61.300 0.295 0.000 1.415 1327 I CB 0.116 38.219 38.000 0.172 0.000 1.385 1327 I HN -0.014 nan 8.210 nan 0.000 0.552 1328 Y N 6.492 126.926 120.300 0.223 0.000 2.524 1328 Y HA 0.582 5.132 4.550 -0.000 0.000 0.344 1328 Y C -0.655 175.326 175.900 0.137 0.000 1.012 1328 Y CA -0.614 57.597 58.100 0.187 0.000 1.068 1328 Y CB 1.933 40.543 38.460 0.250 0.000 1.249 1328 Y HN 0.515 nan 8.280 nan 0.000 0.468 1329 T N 4.148 118.191 114.554 -0.852 0.000 2.933 1329 T HA 0.155 4.505 4.350 -0.000 0.000 0.305 1329 T C 0.143 174.284 174.700 -0.932 0.000 1.092 1329 T CA -0.829 60.899 62.100 -0.619 0.000 1.008 1329 T CB 1.143 69.849 68.868 -0.269 0.000 1.102 1329 T HN 0.700 nan 8.240 nan 0.000 0.469 1330 N N 0.256 118.717 118.700 -0.397 0.000 2.463 1330 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 1330 N C 0.746 176.320 175.510 0.107 0.000 1.078 1330 N CA -0.040 52.956 53.050 -0.091 0.000 0.902 1330 N CB 0.230 38.769 38.487 0.087 0.000 0.970 1330 N HN 0.386 nan 8.380 nan 0.000 0.451 1331 S N 0.642 116.347 115.700 0.009 0.000 2.700 1331 S HA 0.121 4.591 4.470 -0.000 0.000 0.321 1331 S C 0.617 175.208 174.600 -0.015 0.000 1.161 1331 S CA -0.917 57.288 58.200 0.009 0.000 1.078 1331 S CB -1.080 62.074 63.200 -0.077 0.000 1.302 1331 S HN 0.369 nan 8.310 nan 0.000 0.540 1332 F N 3.636 123.572 119.950 -0.023 0.000 2.365 1332 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 1332 F C 1.436 177.246 175.800 0.017 0.000 1.090 1332 F CA 0.227 58.233 58.000 0.010 0.000 1.408 1332 F CB -0.656 38.375 39.000 0.052 0.000 1.060 1332 F HN 0.461 nan 8.300 nan 0.000 0.534 1333 I N 1.357 121.579 120.570 -0.580 0.000 2.127 1333 I HA -0.274 3.896 4.170 -0.000 0.000 0.241 1333 I C 2.214 178.236 176.117 -0.158 0.000 1.075 1333 I CA 1.701 62.775 61.300 -0.377 0.000 1.334 1333 I CB -0.733 37.010 38.000 -0.429 0.000 1.040 1333 I HN 0.169 nan 8.210 nan 0.000 0.405 1334 D N 1.237 121.552 120.400 -0.140 0.000 2.097 1334 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 1334 D C 2.344 178.625 176.300 -0.032 0.000 0.989 1334 D CA 1.475 55.430 54.000 -0.075 0.000 0.827 1334 D CB -0.095 40.660 40.800 -0.074 0.000 0.966 1334 D HN 0.352 nan 8.370 nan 0.000 0.456 1335 I N 1.303 121.865 120.570 -0.012 0.000 2.315 1335 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 1335 I C 2.672 178.819 176.117 0.051 0.000 1.125 1335 I CA 0.866 62.188 61.300 0.036 0.000 1.392 1335 I CB -0.322 37.726 38.000 0.080 0.000 1.065 1335 I HN 0.088 nan 8.210 nan 0.000 0.424 1336 M N 0.837 120.463 119.600 0.044 0.000 2.156 1336 M HA -0.191 4.289 4.480 -0.000 0.000 0.264 1336 M C 1.962 178.277 176.300 0.024 0.000 1.067 1336 M CA 1.863 57.191 55.300 0.046 0.000 1.131 1336 M CB -0.165 32.463 32.600 0.046 0.000 1.368 1336 M HN 0.096 nan 8.290 nan 0.000 0.416 1337 E N -0.352 119.849 120.200 0.003 0.000 2.274 1337 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1337 E C 1.897 178.501 176.600 0.005 0.000 0.996 1337 E CA 1.086 57.485 56.400 -0.001 0.000 0.840 1337 E CB 0.209 29.898 29.700 -0.018 0.000 0.772 1337 E HN 0.444 nan 8.360 nan 0.000 0.491 1338 V N 0.218 120.139 119.914 0.010 0.000 2.581 1338 V HA -0.041 4.079 4.120 -0.000 0.000 0.240 1338 V C 1.708 177.817 176.094 0.025 0.000 1.054 1338 V CA 0.877 63.186 62.300 0.015 0.000 1.076 1338 V CB 0.137 31.968 31.823 0.014 0.000 0.748 1338 V HN 0.186 nan 8.190 nan 0.000 0.474 1339 L N 0.115 121.360 121.223 0.036 0.000 2.693 1339 L HA 0.579 4.919 4.340 -0.000 0.000 0.235 1339 L C 0.861 177.758 176.870 0.045 0.000 1.127 1339 L CA 0.531 55.398 54.840 0.044 0.000 0.914 1339 L CB 0.217 42.312 42.059 0.059 0.000 1.193 1339 L HN 0.490 nan 8.230 nan 0.000 0.502 1340 G N 0.652 109.477 108.800 0.043 0.000 2.721 1340 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 1340 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 1340 G C 0.273 175.207 174.900 0.057 0.000 1.236 1340 G CA -0.112 45.014 45.100 0.044 0.000 0.786 1340 G HN 0.119 nan 8.290 nan 0.000 0.616 1341 I N 0.187 120.791 120.570 0.056 0.000 2.264 1341 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 1341 I C 2.383 178.547 176.117 0.078 0.000 1.111 1341 I CA 2.210 63.552 61.300 0.069 0.000 1.382 1341 I CB -0.026 38.012 38.000 0.064 0.000 1.060 1341 I HN 0.697 nan 8.210 nan 0.000 0.418 1342 E N 1.045 121.285 120.200 0.066 0.000 2.130 1342 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 1342 E C 2.186 178.831 176.600 0.076 0.000 0.998 1342 E CA 1.540 57.978 56.400 0.065 0.000 0.806 1342 E CB -0.312 29.417 29.700 0.049 0.000 0.738 1342 E HN 0.693 nan 8.360 nan 0.000 0.459 1343 A N 0.453 123.321 122.820 0.081 0.000 1.930 1343 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 1343 A C 2.448 180.115 177.584 0.138 0.000 1.175 1343 A CA 1.697 53.795 52.037 0.102 0.000 0.627 1343 A CB -0.871 18.186 19.000 0.095 0.000 0.815 1343 A HN 0.340 nan 8.150 nan 0.000 0.443 1344 G N -0.394 108.486 108.800 0.134 0.000 2.459 1344 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 1344 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 1344 G C 1.736 176.746 174.900 0.184 0.000 1.183 1344 G CA 1.035 46.240 45.100 0.174 0.000 0.776 1344 G HN 0.511 nan 8.290 nan 0.000 0.552 1345 R N 0.553 121.137 120.500 0.141 0.000 2.112 1345 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 1345 R C 2.893 179.282 176.300 0.148 0.000 1.137 1345 R CA 1.861 58.035 56.100 0.123 0.000 0.944 1345 R CB -0.521 29.832 30.300 0.089 0.000 0.857 1345 R HN 0.332 nan 8.270 nan 0.000 0.435 1346 A N 0.302 123.213 122.820 0.152 0.000 1.902 1346 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 1346 A C 2.324 180.050 177.584 0.235 0.000 1.181 1346 A CA 1.757 53.902 52.037 0.180 0.000 0.623 1346 A CB -0.651 18.429 19.000 0.135 0.000 0.818 1346 A HN 0.552 nan 8.150 nan 0.000 0.443 1347 A N -0.660 122.314 122.820 0.255 0.000 1.898 1347 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 1347 A C 2.106 179.809 177.584 0.198 0.000 1.181 1347 A CA 1.660 53.897 52.037 0.333 0.000 0.620 1347 A CB -0.570 18.644 19.000 0.357 0.000 0.819 1347 A HN 0.632 nan 8.150 nan 0.000 0.442 1348 L N -1.548 119.742 121.223 0.112 0.000 2.083 1348 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 1348 L C 2.273 179.117 176.870 -0.043 0.000 1.083 1348 L CA 2.310 57.082 54.840 -0.114 0.000 0.752 1348 L CB -0.864 41.168 42.059 -0.045 0.000 0.899 1348 L HN 0.556 nan 8.230 nan 0.000 0.433 1349 Y N 0.197 120.490 120.300 -0.012 0.000 2.153 1349 Y HA -0.210 4.340 4.550 -0.000 0.000 0.289 1349 Y C 2.652 178.604 175.900 0.087 0.000 1.127 1349 Y CA 2.122 60.231 58.100 0.014 0.000 1.131 1349 Y CB -0.274 38.193 38.460 0.011 0.000 0.995 1349 Y HN 0.136 nan 8.280 nan 0.000 0.505 1350 K N -0.066 120.355 120.400 0.035 0.000 2.127 1350 K HA -0.279 4.041 4.320 -0.000 0.000 0.208 1350 K C 1.985 178.587 176.600 0.003 0.000 1.047 1350 K CA 1.972 58.252 56.287 -0.012 0.000 0.927 1350 K CB -0.111 32.445 32.500 0.093 0.000 0.716 1350 K HN 0.286 nan 8.250 nan 0.000 0.450 1351 E N -0.208 119.994 120.200 0.003 0.000 2.008 1351 E HA -0.106 4.243 4.350 -0.000 0.000 0.191 1351 E C 1.808 178.363 176.600 -0.076 0.000 0.986 1351 E CA 1.239 57.632 56.400 -0.012 0.000 0.807 1351 E CB -0.144 29.490 29.700 -0.110 0.000 0.766 1351 E HN 0.051 nan 8.360 nan 0.000 0.450 1352 V N 0.837 120.667 119.914 -0.140 0.000 2.469 1352 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 1352 V C 2.144 178.157 176.094 -0.134 0.000 1.064 1352 V CA 2.071 64.293 62.300 -0.129 0.000 1.066 1352 V CB -0.737 31.016 31.823 -0.116 0.000 0.667 1352 V HN 0.359 nan 8.190 nan 0.000 0.461 1353 Y N 1.478 121.572 120.300 -0.343 0.000 2.145 1353 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 1353 Y C 2.559 178.372 175.900 -0.145 0.000 1.145 1353 Y CA 1.983 59.882 58.100 -0.335 0.000 1.148 1353 Y CB -0.369 37.711 38.460 -0.633 0.000 0.981 1353 Y HN 0.222 nan 8.280 nan 0.000 0.507 1354 N N -0.097 118.547 118.700 -0.094 0.000 2.223 1354 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 1354 N C 1.855 177.286 175.510 -0.131 0.000 1.016 1354 N CA 1.446 54.437 53.050 -0.099 0.000 0.863 1354 N CB -0.103 38.406 38.487 0.037 0.000 0.983 1354 N HN 0.301 nan 8.380 nan 0.000 0.429 1355 V N 1.670 121.516 119.914 -0.113 0.000 2.261 1355 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 1355 V C 2.204 178.227 176.094 -0.117 0.000 1.047 1355 V CA 1.390 63.636 62.300 -0.090 0.000 1.015 1355 V CB -0.277 31.504 31.823 -0.070 0.000 0.642 1355 V HN 0.203 nan 8.190 nan 0.000 0.446 1356 I N 0.338 120.811 120.570 -0.162 0.000 2.500 1356 I HA -0.072 4.098 4.170 -0.000 0.000 0.252 1356 I C 2.456 178.459 176.117 -0.190 0.000 1.142 1356 I CA 1.233 62.442 61.300 -0.152 0.000 1.451 1356 I CB -0.503 37.416 38.000 -0.134 0.000 1.093 1356 I HN 0.234 nan 8.210 nan 0.000 0.430 1357 A N 0.660 123.277 122.820 -0.339 0.000 2.119 1357 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 1357 A C 2.418 179.890 177.584 -0.187 0.000 1.152 1357 A CA 1.300 53.127 52.037 -0.350 0.000 0.708 1357 A CB -0.565 17.976 19.000 -0.765 0.000 0.805 1357 A HN 0.485 nan 8.150 nan 0.000 0.460 1358 S N -0.490 115.122 115.700 -0.148 0.000 2.453 1358 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 1358 S C 1.057 175.622 174.600 -0.058 0.000 1.005 1358 S CA 1.408 59.560 58.200 -0.081 0.000 0.949 1358 S CB -0.364 62.801 63.200 -0.059 0.000 0.774 1358 S HN 0.484 nan 8.310 nan 0.000 0.510 1359 D N 0.638 121.000 120.400 -0.063 0.000 2.339 1359 D HA 0.362 5.002 4.640 -0.000 0.000 0.217 1359 D C 1.387 177.669 176.300 -0.030 0.000 1.050 1359 D CA 0.794 54.770 54.000 -0.040 0.000 0.856 1359 D CB -0.064 40.713 40.800 -0.038 0.000 0.922 1359 D HN 0.522 nan 8.370 nan 0.000 0.518 1360 G N -0.378 108.399 108.800 -0.038 0.000 2.253 1360 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 1360 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 1360 G C 0.559 175.458 174.900 -0.001 0.000 0.998 1360 G CA 0.320 45.407 45.100 -0.021 0.000 0.621 1360 G HN 0.342 nan 8.290 nan 0.000 0.524 1361 S N -0.011 115.686 115.700 -0.005 0.000 2.584 1361 S HA 0.599 5.069 4.470 -0.000 0.000 0.273 1361 S C -0.462 174.186 174.600 0.079 0.000 1.311 1361 S CA -0.217 58.001 58.200 0.030 0.000 1.034 1361 S CB 1.613 64.812 63.200 -0.001 0.000 0.939 1361 S HN 0.734 nan 8.310 nan 0.000 0.513 1362 Y N 1.430 121.724 120.300 -0.011 0.000 2.468 1362 Y HA 0.670 5.220 4.550 -0.000 0.000 0.342 1362 Y C -1.151 174.789 175.900 0.067 0.000 1.021 1362 Y CA -1.009 57.110 58.100 0.031 0.000 1.079 1362 Y CB 1.036 39.533 38.460 0.061 0.000 1.226 1362 Y HN 0.401 nan 8.280 nan 0.000 0.460 1363 V N 5.374 124.951 119.914 -0.562 0.000 2.760 1363 V HA 0.232 4.352 4.120 -0.000 0.000 0.309 1363 V C -0.720 174.969 176.094 -0.675 0.000 1.077 1363 V CA -1.401 60.597 62.300 -0.502 0.000 0.910 1363 V CB 1.890 33.628 31.823 -0.142 0.000 1.008 1363 V HN 0.863 nan 8.190 nan 0.000 0.424 1364 N N 2.138 120.582 118.700 -0.427 0.000 2.454 1364 N HA 0.018 4.758 4.740 -0.000 0.000 0.260 1364 N C 0.962 176.527 175.510 0.092 0.000 1.218 1364 N CA 0.103 53.083 53.050 -0.118 0.000 0.904 1364 N CB 0.361 38.853 38.487 0.008 0.000 1.065 1364 N HN 0.705 nan 8.380 nan 0.000 0.462 1365 Y N 4.839 125.208 120.300 0.114 0.000 1.967 1365 Y HA -0.479 4.071 4.550 -0.000 0.000 0.255 1365 Y C 2.206 178.095 175.900 -0.018 0.000 1.197 1365 Y CA 2.825 60.993 58.100 0.113 0.000 1.088 1365 Y CB -0.343 38.136 38.460 0.031 0.000 0.917 1365 Y HN 0.730 nan 8.280 nan 0.000 0.497 1366 R N -1.041 119.375 120.500 -0.140 0.000 2.165 1366 R HA -0.301 4.039 4.340 -0.000 0.000 0.254 1366 R C 1.904 178.053 176.300 -0.252 0.000 1.153 1366 R CA 2.034 57.944 56.100 -0.317 0.000 0.971 1366 R CB -1.510 28.500 30.300 -0.483 0.000 0.878 1366 R HN 0.528 nan 8.270 nan 0.000 0.449 1367 H N 0.868 119.909 119.070 -0.049 0.000 2.290 1367 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 1367 H C 2.280 177.580 175.328 -0.047 0.000 1.087 1367 H CA 2.076 58.112 56.048 -0.020 0.000 1.291 1367 H CB -0.321 29.428 29.762 -0.022 0.000 1.369 1367 H HN 0.318 nan 8.280 nan 0.000 0.492 1368 M N -0.081 119.568 119.600 0.082 0.000 2.288 1368 M HA 0.010 4.490 4.480 -0.000 0.000 0.266 1368 M C 2.750 179.051 176.300 0.001 0.000 1.072 1368 M CA 0.963 56.313 55.300 0.085 0.000 1.132 1368 M CB -0.105 32.633 32.600 0.229 0.000 1.386 1368 M HN 0.203 nan 8.290 nan 0.000 0.432 1369 A N 0.976 123.631 122.820 -0.275 0.000 1.865 1369 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 1369 A C 2.134 179.610 177.584 -0.179 0.000 1.191 1369 A CA 1.617 53.391 52.037 -0.438 0.000 0.623 1369 A CB -1.001 17.439 19.000 -0.934 0.000 0.826 1369 A HN 0.421 nan 8.150 nan 0.000 0.444 1370 L N -0.566 120.588 121.223 -0.116 0.000 1.997 1370 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 1370 L C 2.392 179.238 176.870 -0.041 0.000 1.074 1370 L CA 2.405 57.223 54.840 -0.036 0.000 0.763 1370 L CB -0.572 41.505 42.059 0.031 0.000 0.890 1370 L HN 0.476 nan 8.230 nan 0.000 0.434 1371 L N -1.313 119.888 121.223 -0.037 0.000 2.012 1371 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 1371 L C 2.284 179.132 176.870 -0.036 0.000 1.073 1371 L CA 2.083 56.894 54.840 -0.048 0.000 0.748 1371 L CB -0.803 41.230 42.059 -0.043 0.000 0.891 1371 L HN 0.117 nan 8.230 nan 0.000 0.431 1372 V N -0.082 119.821 119.914 -0.018 0.000 2.427 1372 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 1372 V C 2.328 178.425 176.094 0.006 0.000 1.051 1372 V CA 1.896 64.199 62.300 0.005 0.000 1.048 1372 V CB -0.871 30.975 31.823 0.039 0.000 0.666 1372 V HN 0.480 nan 8.190 nan 0.000 0.456 1373 D N 0.154 120.545 120.400 -0.016 0.000 2.117 1373 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 1373 D C 2.151 178.447 176.300 -0.008 0.000 0.982 1373 D CA 1.206 55.201 54.000 -0.007 0.000 0.828 1373 D CB -0.019 40.769 40.800 -0.020 0.000 0.967 1373 D HN 0.334 nan 8.370 nan 0.000 0.464 1374 V N 0.853 120.752 119.914 -0.025 0.000 2.626 1374 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 1374 V C 2.380 178.468 176.094 -0.010 0.000 1.067 1374 V CA 1.018 63.298 62.300 -0.032 0.000 1.081 1374 V CB -0.316 31.466 31.823 -0.069 0.000 0.686 1374 V HN 0.146 nan 8.190 nan 0.000 0.468 1375 M N -0.988 118.613 119.600 0.002 0.000 2.492 1375 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 1375 M C 1.899 178.234 176.300 0.058 0.000 1.090 1375 M CA 1.250 56.571 55.300 0.034 0.000 1.110 1375 M CB 0.085 32.708 32.600 0.038 0.000 1.407 1375 M HN 0.283 nan 8.290 nan 0.000 0.470 1376 T N -1.394 113.188 114.554 0.048 0.000 2.969 1376 T HA 0.029 4.379 4.350 -0.000 0.000 0.250 1376 T C 1.569 176.300 174.700 0.052 0.000 1.021 1376 T CA 1.079 63.215 62.100 0.061 0.000 1.003 1376 T CB 0.099 69.006 68.868 0.066 0.000 1.040 1376 T HN 0.518 nan 8.240 nan 0.000 0.492 1377 T N 0.427 115.002 114.554 0.036 0.000 2.881 1377 T HA -0.051 4.299 4.350 -0.000 0.000 0.270 1377 T C 1.625 176.347 174.700 0.037 0.000 1.068 1377 T CA 0.920 63.039 62.100 0.032 0.000 1.131 1377 T CB -0.321 68.552 68.868 0.007 0.000 0.871 1377 T HN 0.325 nan 8.240 nan 0.000 0.479 1378 Q N 0.793 120.617 119.800 0.039 0.000 2.466 1378 Q HA 0.261 4.601 4.340 -0.000 0.000 0.210 1378 Q C 1.736 177.762 176.000 0.043 0.000 0.961 1378 Q CA 0.331 56.158 55.803 0.040 0.000 0.953 1378 Q CB -0.260 28.502 28.738 0.041 0.000 1.011 1378 Q HN 0.843 nan 8.270 nan 0.000 0.516 1379 G N -0.455 108.374 108.800 0.048 0.000 2.225 1379 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 1379 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 1379 G C 0.304 175.233 174.900 0.050 0.000 0.988 1379 G CA -0.141 44.988 45.100 0.047 0.000 0.625 1379 G HN 0.585 nan 8.290 nan 0.000 0.527 1380 G N -1.136 107.696 108.800 0.054 0.000 3.042 1380 G HA2 0.665 4.625 3.960 -0.000 0.000 0.278 1380 G HA3 0.665 4.625 3.960 -0.000 0.000 0.278 1380 G C -0.746 174.200 174.900 0.076 0.000 1.371 1380 G CA -1.012 44.122 45.100 0.058 0.000 1.009 1380 G HN 0.633 nan 8.290 nan 0.000 0.523 1381 L N 1.424 122.697 121.223 0.083 0.000 2.268 1381 L HA 0.333 4.672 4.340 -0.000 0.000 0.289 1381 L C -0.001 176.934 176.870 0.110 0.000 1.064 1381 L CA -0.255 54.655 54.840 0.117 0.000 0.824 1381 L CB 1.118 43.263 42.059 0.142 0.000 1.202 1381 L HN 0.333 nan 8.230 nan 0.000 0.433 1382 T N 1.632 116.252 114.554 0.110 0.000 2.744 1382 T HA 0.247 4.597 4.350 -0.000 0.000 0.291 1382 T C 0.302 175.084 174.700 0.137 0.000 0.957 1382 T CA -0.641 61.528 62.100 0.114 0.000 1.002 1382 T CB 1.052 69.979 68.868 0.100 0.000 0.919 1382 T HN 0.633 nan 8.240 nan 0.000 0.468 1383 S N 1.986 117.780 115.700 0.157 0.000 2.592 1383 S HA 0.205 4.675 4.470 -0.000 0.000 0.271 1383 S C 1.106 175.827 174.600 0.201 0.000 1.326 1383 S CA -0.925 57.381 58.200 0.175 0.000 1.024 1383 S CB 0.840 64.157 63.200 0.195 0.000 0.921 1383 S HN 0.414 nan 8.310 nan 0.000 0.527 1384 V N 1.703 121.713 119.914 0.159 0.000 3.602 1384 V HA 0.056 4.176 4.120 -0.000 0.000 0.289 1384 V C 0.888 177.144 176.094 0.271 0.000 1.265 1384 V CA 0.477 62.860 62.300 0.138 0.000 1.202 1384 V CB -2.004 29.803 31.823 -0.027 0.000 1.012 1384 V HN 0.955 nan 8.190 nan 0.000 0.431 1385 T N 0.318 115.013 114.554 0.236 0.000 2.852 1385 T HA 0.216 4.566 4.350 -0.000 0.000 0.281 1385 T C 1.521 176.216 174.700 -0.009 0.000 0.993 1385 T CA -0.602 61.588 62.100 0.149 0.000 0.933 1385 T CB 0.767 69.638 68.868 0.004 0.000 1.187 1385 T HN 0.424 nan 8.240 nan 0.000 0.559 1386 R N 0.240 120.657 120.500 -0.138 0.000 2.237 1386 R HA -0.085 4.255 4.340 -0.000 0.000 0.219 1386 R C 1.357 177.501 176.300 -0.260 0.000 1.080 1386 R CA 1.250 57.217 56.100 -0.222 0.000 0.995 1386 R CB -0.577 29.642 30.300 -0.135 0.000 0.875 1386 R HN 0.595 nan 8.270 nan 0.000 0.462 1387 H N 0.223 119.296 119.070 0.006 0.000 2.495 1387 H HA 0.128 4.684 4.556 -0.000 0.000 0.287 1387 H C 1.783 177.106 175.328 -0.008 0.000 1.033 1387 H CA 1.194 57.244 56.048 0.004 0.000 1.307 1387 H CB -0.001 29.782 29.762 0.036 0.000 1.401 1387 H HN 0.472 nan 8.280 nan 0.000 0.555 1388 G N 0.723 109.562 108.800 0.064 0.000 2.571 1388 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.225 1388 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.225 1388 G C 1.245 176.151 174.900 0.009 0.000 1.731 1388 G CA 0.261 45.409 45.100 0.081 0.000 0.858 1388 G HN 0.348 nan 8.290 nan 0.000 0.611 1389 F N 1.209 121.131 119.950 -0.047 0.000 2.546 1389 F HA 0.209 4.736 4.527 -0.000 0.000 0.298 1389 F C 1.599 177.344 175.800 -0.092 0.000 1.120 1389 F CA 0.948 58.898 58.000 -0.083 0.000 1.456 1389 F CB -0.441 38.478 39.000 -0.135 0.000 1.088 1389 F HN 0.079 nan 8.300 nan 0.000 0.572 1390 N N 0.345 118.610 118.700 -0.725 0.000 2.412 1390 N HA 0.038 4.778 4.740 -0.000 0.000 0.184 1390 N C 1.726 177.107 175.510 -0.214 0.000 1.101 1390 N CA 0.080 52.823 53.050 -0.511 0.000 0.881 1390 N CB -0.119 38.058 38.487 -0.516 0.000 0.969 1390 N HN 0.340 nan 8.380 nan 0.000 0.459 1391 R N 0.294 120.710 120.500 -0.139 0.000 2.223 1391 R HA 0.006 4.346 4.340 -0.000 0.000 0.198 1391 R C 1.660 177.938 176.300 -0.036 0.000 0.984 1391 R CA 0.768 56.830 56.100 -0.064 0.000 1.018 1391 R CB 0.025 30.308 30.300 -0.027 0.000 0.945 1391 R HN 0.212 nan 8.270 nan 0.000 0.479 1392 S N 1.143 116.830 115.700 -0.022 0.000 2.546 1392 S HA -0.307 4.163 4.470 -0.000 0.000 0.293 1392 S C 0.776 175.380 174.600 0.006 0.000 1.180 1392 S CA 1.958 60.165 58.200 0.012 0.000 1.075 1392 S CB -0.437 62.789 63.200 0.042 0.000 0.879 1392 S HN 0.656 nan 8.310 nan 0.000 0.476 1393 N N -1.471 117.224 118.700 -0.008 0.000 2.951 1393 N HA -0.108 4.632 4.740 -0.000 0.000 0.175 1393 N C -0.410 175.092 175.510 -0.014 0.000 1.057 1393 N CA 1.041 54.085 53.050 -0.009 0.000 1.074 1393 N CB -1.950 36.536 38.487 -0.001 0.000 0.982 1393 N HN 0.556 nan 8.380 nan 0.000 0.550 1394 T N 1.116 115.661 114.554 -0.014 0.000 2.903 1394 T HA 0.376 4.726 4.350 -0.000 0.000 0.314 1394 T C 1.289 175.976 174.700 -0.023 0.000 1.078 1394 T CA 0.637 62.730 62.100 -0.012 0.000 1.114 1394 T CB 0.599 69.464 68.868 -0.005 0.000 0.987 1394 T HN 0.340 nan 8.240 nan 0.000 0.548 1395 G N 0.361 109.154 108.800 -0.012 0.000 2.720 1395 G HA2 0.317 4.277 3.960 -0.000 0.000 0.237 1395 G HA3 0.317 4.277 3.960 -0.000 0.000 0.237 1395 G C 1.218 176.099 174.900 -0.031 0.000 1.239 1395 G CA -0.166 44.931 45.100 -0.005 0.000 0.847 1395 G HN 0.881 nan 8.290 nan 0.000 0.593 1396 A N 0.460 123.255 122.820 -0.043 0.000 1.898 1396 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 1396 A C 2.385 179.891 177.584 -0.131 0.000 1.181 1396 A CA 1.175 53.103 52.037 -0.182 0.000 0.620 1396 A CB -0.302 18.393 19.000 -0.508 0.000 0.819 1396 A HN 0.542 nan 8.150 nan 0.000 0.442 1397 L N -1.254 119.961 121.223 -0.013 0.000 2.217 1397 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 1397 L C 2.759 179.626 176.870 -0.005 0.000 1.107 1397 L CA 0.630 55.474 54.840 0.007 0.000 0.783 1397 L CB -0.420 41.683 42.059 0.073 0.000 0.919 1397 L HN 0.441 nan 8.230 nan 0.000 0.442 1398 M N -0.205 119.393 119.600 -0.004 0.000 2.067 1398 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 1398 M C 2.452 178.758 176.300 0.010 0.000 1.069 1398 M CA 1.868 57.172 55.300 0.008 0.000 1.117 1398 M CB -0.283 32.323 32.600 0.009 0.000 1.334 1398 M HN 0.172 nan 8.290 nan 0.000 0.407 1399 R N -0.883 119.601 120.500 -0.027 0.000 2.159 1399 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 1399 R C 2.254 178.548 176.300 -0.010 0.000 1.131 1399 R CA 1.318 57.395 56.100 -0.037 0.000 0.982 1399 R CB -0.991 29.255 30.300 -0.090 0.000 0.868 1399 R HN 0.437 nan 8.270 nan 0.000 0.453 1400 C N 0.871 120.147 119.300 -0.039 0.000 2.398 1400 C HA -0.127 4.333 4.460 -0.000 0.000 0.276 1400 C C 2.358 177.352 174.990 0.005 0.000 1.222 1400 C CA 1.636 60.626 59.018 -0.046 0.000 1.746 1400 C CB -0.832 26.875 27.740 -0.056 0.000 2.039 1400 C HN 0.559 nan 8.230 nan 0.000 0.470 1401 S N -1.416 114.314 115.700 0.050 0.000 2.803 1401 S HA 0.082 4.552 4.470 -0.000 0.000 0.226 1401 S C -0.046 174.671 174.600 0.194 0.000 0.962 1401 S CA 0.229 58.483 58.200 0.089 0.000 0.968 1401 S CB -0.528 62.721 63.200 0.082 0.000 0.786 1401 S HN 0.560 nan 8.310 nan 0.000 0.527 1402 F N 1.495 121.423 119.950 -0.036 0.000 3.051 1402 F HA 0.317 4.844 4.527 -0.000 0.000 0.363 1402 F C 0.439 176.202 175.800 -0.060 0.000 1.257 1402 F CA -0.922 57.059 58.000 -0.032 0.000 1.126 1402 F CB 0.356 39.343 39.000 -0.021 0.000 1.476 1402 F HN 0.115 nan 8.300 nan 0.000 0.576 1403 E N 1.704 121.634 120.200 -0.449 0.000 4.665 1403 E HA -0.340 4.010 4.350 -0.000 0.000 0.181 1403 E C 0.166 176.663 176.600 -0.172 0.000 1.307 1403 E CA 2.128 58.300 56.400 -0.380 0.000 2.299 1403 E CB -0.629 28.727 29.700 -0.573 0.000 1.862 1403 E HN 0.731 nan 8.360 nan 0.000 0.373 1404 E N 0.965 121.097 120.200 -0.112 0.000 2.598 1404 E HA 0.179 4.529 4.350 -0.000 0.000 0.233 1404 E C 0.603 177.155 176.600 -0.081 0.000 1.173 1404 E CA 0.146 56.500 56.400 -0.076 0.000 1.473 1404 E CB 0.436 30.102 29.700 -0.056 0.000 1.398 1404 E HN 0.241 nan 8.360 nan 0.000 0.431 1405 T N -0.089 114.412 114.554 -0.088 0.000 2.622 1405 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 1405 T C 2.059 176.662 174.700 -0.162 0.000 1.047 1405 T CA 1.326 63.361 62.100 -0.108 0.000 1.159 1405 T CB -0.052 68.760 68.868 -0.093 0.000 0.863 1405 T HN 0.102 nan 8.240 nan 0.000 0.422 1406 V N 1.644 121.471 119.914 -0.145 0.000 2.261 1406 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 1406 V C 2.504 178.452 176.094 -0.243 0.000 1.047 1406 V CA 1.828 63.991 62.300 -0.227 0.000 1.015 1406 V CB -0.790 30.994 31.823 -0.065 0.000 0.642 1406 V HN 0.523 nan 8.190 nan 0.000 0.446 1407 E N -0.043 120.145 120.200 -0.020 0.000 2.085 1407 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 1407 E C 2.174 178.741 176.600 -0.055 0.000 0.994 1407 E CA 1.593 58.033 56.400 0.067 0.000 0.801 1407 E CB -0.292 29.419 29.700 0.018 0.000 0.743 1407 E HN 0.546 nan 8.360 nan 0.000 0.453 1408 I N 0.887 121.382 120.570 -0.125 0.000 2.264 1408 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 1408 I C 2.287 178.249 176.117 -0.259 0.000 1.111 1408 I CA 1.027 62.227 61.300 -0.166 0.000 1.382 1408 I CB -0.064 37.841 38.000 -0.158 0.000 1.060 1408 I HN 0.130 nan 8.210 nan 0.000 0.418 1409 L N -0.837 120.176 121.223 -0.350 0.000 2.109 1409 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 1409 L C 2.367 179.012 176.870 -0.376 0.000 1.086 1409 L CA 1.322 55.871 54.840 -0.485 0.000 0.760 1409 L CB -0.392 41.353 42.059 -0.523 0.000 0.910 1409 L HN 0.144 nan 8.230 nan 0.000 0.437 1410 F N 0.382 120.196 119.950 -0.227 0.000 2.051 1410 F HA -0.242 4.285 4.527 -0.000 0.000 0.296 1410 F C 2.568 178.267 175.800 -0.168 0.000 1.122 1410 F CA 1.274 59.112 58.000 -0.270 0.000 1.201 1410 F CB -0.277 38.366 39.000 -0.595 0.000 0.978 1410 F HN 0.044 nan 8.300 nan 0.000 0.472 1411 E N 0.239 120.428 120.200 -0.018 0.000 2.209 1411 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 1411 E C 2.193 178.729 176.600 -0.107 0.000 0.993 1411 E CA 0.848 57.209 56.400 -0.064 0.000 0.819 1411 E CB -0.284 29.361 29.700 -0.092 0.000 0.745 1411 E HN 0.442 nan 8.360 nan 0.000 0.477 1412 A N 1.142 123.864 122.820 -0.164 0.000 1.898 1412 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 1412 A C 2.437 179.946 177.584 -0.124 0.000 1.183 1412 A CA 1.256 53.155 52.037 -0.231 0.000 0.622 1412 A CB -0.862 17.847 19.000 -0.486 0.000 0.824 1412 A HN 0.331 nan 8.150 nan 0.000 0.444 1413 G N -0.165 108.602 108.800 -0.054 0.000 2.418 1413 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.217 1413 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.217 1413 G C 1.765 176.719 174.900 0.090 0.000 1.158 1413 G CA 1.545 46.712 45.100 0.113 0.000 0.771 1413 G HN 0.764 nan 8.290 nan 0.000 0.545 1414 A N 1.018 123.898 122.820 0.101 0.000 1.892 1414 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 1414 A C 2.342 179.735 177.584 -0.318 0.000 1.188 1414 A CA 2.473 54.464 52.037 -0.077 0.000 0.631 1414 A CB -0.607 18.390 19.000 -0.004 0.000 0.822 1414 A HN 0.814 nan 8.150 nan 0.000 0.447 1415 S N -1.481 114.051 115.700 -0.280 0.000 2.552 1415 S HA 0.555 5.025 4.470 -0.000 0.000 0.246 1415 S C 0.557 175.080 174.600 -0.128 0.000 1.019 1415 S CA 0.441 58.455 58.200 -0.310 0.000 1.045 1415 S CB -0.355 62.647 63.200 -0.330 0.000 0.784 1415 S HN 1.872 nan 8.310 nan 0.000 0.453 1416 A N 1.100 123.894 122.820 -0.044 0.000 2.154 1416 A HA -0.206 4.114 4.320 -0.000 0.000 0.274 1416 A C 0.238 177.807 177.584 -0.025 0.000 1.373 1416 A CA 0.685 52.725 52.037 0.005 0.000 0.751 1416 A CB -1.803 17.247 19.000 0.085 0.000 1.149 1416 A HN 0.722 nan 8.150 nan 0.000 0.337 1417 E N -0.758 119.449 120.200 0.012 0.000 2.338 1417 E HA 0.370 4.720 4.350 -0.000 0.000 0.272 1417 E C -0.155 176.472 176.600 0.045 0.000 1.029 1417 E CA -0.652 55.760 56.400 0.020 0.000 0.872 1417 E CB 0.846 30.548 29.700 0.004 0.000 1.015 1417 E HN 0.523 nan 8.360 nan 0.000 0.417 1418 L N 3.663 124.880 121.223 -0.010 0.000 2.282 1418 L HA 0.228 4.568 4.340 -0.000 0.000 0.288 1418 L C -0.583 176.291 176.870 0.007 0.000 1.033 1418 L CA -0.205 54.611 54.840 -0.040 0.000 0.807 1418 L CB 1.294 43.306 42.059 -0.077 0.000 1.209 1418 L HN 0.354 nan 8.230 nan 0.000 0.423 1419 D N 2.952 123.362 120.400 0.016 0.000 2.317 1419 D HA 0.122 4.762 4.640 -0.000 0.000 0.234 1419 D C 0.444 176.739 176.300 -0.009 0.000 1.112 1419 D CA -0.150 53.871 54.000 0.036 0.000 0.840 1419 D CB 1.210 42.070 40.800 0.100 0.000 1.078 1419 D HN 0.555 nan 8.370 nan 0.000 0.486 1420 D N 2.110 122.507 120.400 -0.005 0.000 2.182 1420 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 1420 D C 0.938 177.229 176.300 -0.015 0.000 0.986 1420 D CA 0.633 54.626 54.000 -0.012 0.000 0.847 1420 D CB -0.051 40.745 40.800 -0.006 0.000 0.942 1420 D HN 0.523 nan 8.370 nan 0.000 0.467 1421 C N 0.198 119.493 119.300 -0.008 0.000 4.454 1421 C HA -0.172 4.288 4.460 -0.000 0.000 0.298 1421 C C 1.235 176.219 174.990 -0.009 0.000 1.384 1421 C CA -0.090 58.922 59.018 -0.010 0.000 2.002 1421 C CB -2.437 25.289 27.740 -0.023 0.000 1.249 1421 C HN 0.394 nan 8.230 nan 0.000 0.783 1422 R N -0.028 120.470 120.500 -0.003 0.000 2.468 1422 R HA 0.284 4.624 4.340 -0.000 0.000 0.280 1422 R C 1.032 177.334 176.300 0.002 0.000 0.963 1422 R CA 0.577 56.678 56.100 0.002 0.000 1.083 1422 R CB 0.633 30.940 30.300 0.010 0.000 1.200 1422 R HN 0.591 nan 8.270 nan 0.000 0.541 1423 G N -0.124 108.675 108.800 -0.002 0.000 2.367 1423 G HA2 0.275 4.235 3.960 -0.000 0.000 0.314 1423 G HA3 0.275 4.235 3.960 -0.000 0.000 0.314 1423 G C 1.041 175.933 174.900 -0.013 0.000 1.130 1423 G CA -0.613 44.484 45.100 -0.005 0.000 0.864 1423 G HN -0.117 nan 8.290 nan 0.000 0.486 1424 V N 1.997 121.899 119.914 -0.021 0.000 2.252 1424 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 1424 V C 3.044 179.126 176.094 -0.020 0.000 1.056 1424 V CA 2.778 65.061 62.300 -0.028 0.000 1.022 1424 V CB -0.631 31.169 31.823 -0.039 0.000 0.641 1424 V HN 0.829 nan 8.190 nan 0.000 0.445 1425 S N -0.609 115.083 115.700 -0.013 0.000 2.469 1425 S HA -0.185 4.285 4.470 -0.000 0.000 0.238 1425 S C 1.653 176.253 174.600 0.000 0.000 0.998 1425 S CA 1.427 59.625 58.200 -0.003 0.000 0.957 1425 S CB -0.309 62.895 63.200 0.007 0.000 0.764 1425 S HN 0.756 nan 8.310 nan 0.000 0.514 1426 E N 1.249 121.449 120.200 -0.001 0.000 2.166 1426 E HA 0.121 4.471 4.350 -0.000 0.000 0.192 1426 E C 1.706 178.303 176.600 -0.006 0.000 0.967 1426 E CA 0.138 56.540 56.400 0.003 0.000 0.840 1426 E CB -0.048 29.657 29.700 0.008 0.000 0.795 1426 E HN 0.405 nan 8.360 nan 0.000 0.470 1427 N N 0.637 119.330 118.700 -0.013 0.000 2.309 1427 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 1427 N C 1.809 177.308 175.510 -0.019 0.000 1.018 1427 N CA 0.666 53.704 53.050 -0.020 0.000 0.876 1427 N CB 0.244 38.715 38.487 -0.026 0.000 0.972 1427 N HN 0.009 nan 8.380 nan 0.000 0.434 1428 V N 1.563 121.467 119.914 -0.016 0.000 2.453 1428 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 1428 V C 2.223 178.311 176.094 -0.010 0.000 1.048 1428 V CA 0.995 63.286 62.300 -0.015 0.000 1.049 1428 V CB -0.184 31.631 31.823 -0.013 0.000 0.672 1428 V HN 0.195 nan 8.190 nan 0.000 0.457 1429 I N -0.475 120.091 120.570 -0.006 0.000 2.315 1429 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 1429 I C 1.815 177.927 176.117 -0.008 0.000 1.117 1429 I CA 1.484 62.782 61.300 -0.003 0.000 1.404 1429 I CB -0.051 37.952 38.000 0.005 0.000 1.071 1429 I HN 0.247 nan 8.210 nan 0.000 0.419 1430 L N 0.401 121.617 121.223 -0.013 0.000 2.592 1430 L HA 0.251 4.591 4.340 -0.000 0.000 0.227 1430 L C 1.204 178.062 176.870 -0.020 0.000 1.127 1430 L CA 0.055 54.883 54.840 -0.019 0.000 0.884 1430 L CB -0.431 41.612 42.059 -0.025 0.000 1.065 1430 L HN 0.375 nan 8.230 nan 0.000 0.457 1431 G N 1.189 109.979 108.800 -0.017 0.000 2.371 1431 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 1431 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 1431 G C -0.051 174.836 174.900 -0.021 0.000 1.014 1431 G CA 0.290 45.380 45.100 -0.017 0.000 1.097 1431 G HN 0.513 nan 8.290 nan 0.000 0.512 1432 Q N -0.792 118.993 119.800 -0.025 0.000 2.496 1432 Q HA 0.662 5.002 4.340 -0.000 0.000 0.286 1432 Q C 0.580 176.560 176.000 -0.035 0.000 1.103 1432 Q CA -1.233 54.552 55.803 -0.030 0.000 0.813 1432 Q CB 1.213 29.933 28.738 -0.031 0.000 1.444 1432 Q HN 0.334 nan 8.270 nan 0.000 0.443 1433 M N 1.172 120.747 119.600 -0.042 0.000 2.245 1433 M HA 0.299 4.779 4.480 -0.000 0.000 0.344 1433 M C -0.335 175.931 176.300 -0.057 0.000 1.170 1433 M CA 0.145 55.412 55.300 -0.055 0.000 1.135 1433 M CB 0.584 33.142 32.600 -0.070 0.000 1.574 1433 M HN 0.770 nan 8.290 nan 0.000 0.452 1434 A N 4.915 127.697 122.820 -0.063 0.000 2.311 1434 A HA 0.672 4.992 4.320 -0.000 0.000 0.334 1434 A C -2.363 175.177 177.584 -0.073 0.000 1.139 1434 A CA -1.644 50.359 52.037 -0.058 0.000 0.830 1434 A CB 0.348 19.318 19.000 -0.049 0.000 1.234 1434 A HN 0.527 nan 8.150 nan 0.000 0.483 1435 P HA 0.110 nan 4.420 nan 0.000 0.235 1435 P C -0.648 176.595 177.300 -0.096 0.000 1.670 1435 P CA 0.767 63.827 63.100 -0.067 0.000 1.017 1435 P CB -0.612 31.072 31.700 -0.026 0.000 1.945 1436 I N -1.040 119.468 120.570 -0.104 0.000 3.501 1436 I HA 0.281 4.451 4.170 -0.000 0.000 0.297 1436 I C 2.198 178.250 176.117 -0.108 0.000 1.199 1436 I CA -0.669 60.569 61.300 -0.105 0.000 0.987 1436 I CB 0.367 38.316 38.000 -0.085 0.000 1.365 1436 I HN 0.070 nan 8.210 nan 0.000 0.574 1437 G N 0.346 109.098 108.800 -0.079 0.000 2.681 1437 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 1437 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 1437 G C 1.270 176.156 174.900 -0.025 0.000 1.210 1437 G CA 1.878 46.965 45.100 -0.021 0.000 0.783 1437 G HN 0.636 nan 8.290 nan 0.000 0.609 1438 T N 0.431 114.934 114.554 -0.085 0.000 3.035 1438 T HA 0.197 4.547 4.350 -0.000 0.000 0.268 1438 T C 1.810 176.228 174.700 -0.469 0.000 1.109 1438 T CA 1.053 63.038 62.100 -0.193 0.000 1.119 1438 T CB 0.102 68.924 68.868 -0.077 0.000 0.900 1438 T HN 0.409 nan 8.240 nan 0.000 0.503 1439 G N -0.129 108.476 108.800 -0.325 0.000 3.936 1439 G HA2 0.517 4.477 3.960 -0.000 0.000 0.296 1439 G HA3 0.517 4.477 3.960 -0.000 0.000 0.296 1439 G C 0.900 175.653 174.900 -0.245 0.000 1.121 1439 G CA 0.269 45.184 45.100 -0.308 0.000 0.899 1439 G HN 0.414 nan 8.290 nan 0.000 0.542 1440 A N 0.204 122.867 122.820 -0.262 0.000 2.197 1440 A HA 0.620 4.940 4.320 -0.000 0.000 0.210 1440 A C 0.515 178.203 177.584 0.174 0.000 1.180 1440 A CA 0.107 52.146 52.037 0.004 0.000 0.846 1440 A CB -0.033 19.022 19.000 0.091 0.000 0.884 1440 A HN 0.498 nan 8.150 nan 0.000 0.487 1441 F N -1.980 118.051 119.950 0.135 0.000 2.579 1441 F HA 0.751 5.278 4.527 -0.000 0.000 0.324 1441 F C -0.814 175.001 175.800 0.024 0.000 1.058 1441 F CA -1.774 56.262 58.000 0.060 0.000 0.944 1441 F CB 0.885 39.914 39.000 0.049 0.000 1.245 1441 F HN -0.186 nan 8.300 nan 0.000 0.477 1442 D N 1.268 121.780 120.400 0.187 0.000 2.192 1442 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 1442 D C -1.068 175.353 176.300 0.202 0.000 1.042 1442 D CA -0.209 53.854 54.000 0.106 0.000 0.847 1442 D CB 2.729 43.559 40.800 0.049 0.000 1.186 1442 D HN 0.404 nan 8.370 nan 0.000 0.461 1443 V N 3.967 123.981 119.914 0.167 0.000 2.394 1443 V HA 0.431 4.551 4.120 -0.000 0.000 0.282 1443 V C 0.361 176.500 176.094 0.075 0.000 1.031 1443 V CA -0.338 62.051 62.300 0.148 0.000 0.881 1443 V CB 1.304 33.225 31.823 0.163 0.000 0.982 1443 V HN 0.489 nan 8.190 nan 0.000 0.451 1444 M N 4.065 123.696 119.600 0.053 0.000 2.690 1444 M HA 0.617 5.097 4.480 -0.000 0.000 0.302 1444 M C -0.393 175.921 176.300 0.024 0.000 1.234 1444 M CA -0.576 54.744 55.300 0.032 0.000 0.853 1444 M CB 2.386 34.999 32.600 0.022 0.000 1.748 1444 M HN 0.401 nan 8.290 nan 0.000 0.469 1445 I N 0.000 120.581 120.570 0.019 0.000 2.984 1445 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1445 I CA 0.000 61.309 61.300 0.015 0.000 1.566 1445 I CB 0.000 38.009 38.000 0.014 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494