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 1jyz_1_L DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.327 61.300 0.045 0.000 1.566 3 I CB 0.000 38.019 38.000 0.031 0.000 1.214 4 T N -1.829 112.761 114.554 0.061 0.000 3.113 4 T HA 0.151 4.501 4.350 -0.000 0.000 0.256 4 T C 0.808 175.558 174.700 0.083 0.000 1.131 4 T CA 1.213 63.339 62.100 0.044 0.000 1.074 4 T CB -0.564 68.328 68.868 0.040 0.000 0.944 4 T HN 0.342 nan 8.240 nan 0.000 0.516 5 D N 2.293 122.795 120.400 0.169 0.000 2.340 5 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 5 D C 0.828 177.328 176.300 0.333 0.000 1.039 5 D CA 0.077 54.284 54.000 0.345 0.000 0.866 5 D CB 0.018 41.062 40.800 0.406 0.000 0.913 5 D HN 0.570 nan 8.370 nan 0.000 0.523 6 S N 0.127 115.915 115.700 0.147 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.343 175.992 174.600 0.081 0.000 1.315 6 S CA -0.688 57.558 58.200 0.077 0.000 1.050 6 S CB 1.189 64.406 63.200 0.028 0.000 0.918 6 S HN -0.122 nan 8.310 nan 0.000 0.497 7 L N 4.061 125.310 121.223 0.042 0.000 1.997 7 L HA -0.142 4.198 4.340 -0.000 0.000 0.216 7 L C 3.033 179.919 176.870 0.027 0.000 1.074 7 L CA 2.631 57.501 54.840 0.050 0.000 0.763 7 L CB -1.800 40.246 42.059 -0.021 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.442 121.383 122.820 0.008 0.000 1.971 8 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 8 A C 2.527 180.109 177.584 -0.002 0.000 1.182 8 A CA 2.507 54.547 52.037 0.005 0.000 0.649 8 A CB -1.099 17.900 19.000 -0.001 0.000 0.818 8 A HN 0.283 nan 8.150 nan 0.000 0.458 9 V N -1.014 118.891 119.914 -0.014 0.000 2.331 9 V HA -0.132 3.988 4.120 -0.000 0.000 0.242 9 V C 2.526 178.559 176.094 -0.101 0.000 1.034 9 V CA 1.663 63.935 62.300 -0.046 0.000 1.027 9 V CB -0.181 31.619 31.823 -0.039 0.000 0.667 9 V HN 0.352 nan 8.190 nan 0.000 0.457 10 V N 0.842 120.671 119.914 -0.142 0.000 2.231 10 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 10 V C 2.269 178.259 176.094 -0.174 0.000 1.054 10 V CA 2.410 64.520 62.300 -0.316 0.000 1.015 10 V CB -0.774 30.810 31.823 -0.399 0.000 0.638 10 V HN 0.498 nan 8.190 nan 0.000 0.444 11 L N 0.264 121.477 121.223 -0.017 0.000 2.642 11 L HA -0.156 4.184 4.340 -0.000 0.000 0.236 11 L C 2.452 179.402 176.870 0.133 0.000 1.169 11 L CA 0.928 55.891 54.840 0.206 0.000 0.851 11 L CB -0.841 41.373 42.059 0.257 0.000 0.968 11 L HN 0.424 nan 8.230 nan 0.000 0.453 12 Q N 2.214 122.018 119.800 0.005 0.000 2.061 12 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 12 Q C 2.240 178.189 176.000 -0.085 0.000 0.984 12 Q CA 2.099 57.885 55.803 -0.028 0.000 0.846 12 Q CB -0.111 28.596 28.738 -0.051 0.000 0.902 12 Q HN 0.567 nan 8.270 nan 0.000 0.421 13 R N -0.264 120.162 120.500 -0.124 0.000 2.120 13 R HA 0.057 4.397 4.340 -0.000 0.000 0.234 13 R C 0.323 176.431 176.300 -0.320 0.000 1.123 13 R CA 0.909 56.899 56.100 -0.183 0.000 0.975 13 R CB -0.455 29.743 30.300 -0.170 0.000 0.866 13 R HN 0.107 nan 8.270 nan 0.000 0.446 14 R N 0.999 121.208 120.500 -0.486 0.000 3.209 14 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 14 R C -0.557 175.217 176.300 -0.876 0.000 0.958 14 R CA 0.516 55.841 56.100 -1.292 0.000 0.651 14 R CB -1.476 28.209 30.300 -1.024 0.000 1.142 14 R HN 0.490 nan 8.270 nan 0.000 0.441 15 D N -0.185 119.925 120.400 -0.483 0.000 2.218 15 D HA -0.190 4.450 4.640 -0.000 0.000 0.204 15 D C 1.609 177.855 176.300 -0.089 0.000 0.976 15 D CA 1.843 55.640 54.000 -0.339 0.000 0.853 15 D CB -0.120 40.269 40.800 -0.685 0.000 0.939 15 D HN 0.735 nan 8.370 nan 0.000 0.481 16 W N 1.737 123.062 121.300 0.042 0.000 3.096 16 W HA 0.114 4.774 4.660 -0.000 0.000 0.241 16 W C 0.490 177.123 176.519 0.189 0.000 1.316 16 W CA -0.109 57.370 57.345 0.224 0.000 1.520 16 W CB -0.198 29.422 29.460 0.266 0.000 1.128 16 W HN -0.176 nan 8.180 nan 0.000 0.707 17 E N 0.940 120.971 120.200 -0.281 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.829 175.662 176.600 -0.182 0.000 0.980 17 E CA -0.228 56.081 56.400 -0.152 0.000 1.172 17 E CB -0.172 29.462 29.700 -0.109 0.000 1.088 17 E HN 0.108 nan 8.360 nan 0.000 0.463 18 N N 1.211 119.825 118.700 -0.144 0.000 2.594 18 N HA 0.135 4.875 4.740 -0.000 0.000 0.280 18 N C -2.253 173.143 175.510 -0.191 0.000 1.156 18 N CA -1.868 51.064 53.050 -0.196 0.000 0.831 18 N CB 1.460 39.837 38.487 -0.184 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.043 nan 4.420 nan 0.000 0.220 19 P C 1.174 178.252 177.300 -0.370 0.000 1.144 19 P CA 1.044 63.831 63.100 -0.522 0.000 0.800 19 P CB 0.135 31.101 31.700 -1.224 0.000 0.772 20 G N -0.586 108.035 108.800 -0.298 0.000 2.484 20 G HA2 0.003 3.963 3.960 -0.000 0.000 0.218 20 G HA3 0.003 3.963 3.960 -0.000 0.000 0.218 20 G C 0.349 175.181 174.900 -0.113 0.000 1.130 20 G CA 0.210 45.188 45.100 -0.204 0.000 0.784 20 G HN 0.238 nan 8.290 nan 0.000 0.543 21 V N 1.131 121.001 119.914 -0.075 0.000 2.378 21 V HA 0.420 4.540 4.120 -0.000 0.000 0.288 21 V C 0.864 177.024 176.094 0.110 0.000 1.016 21 V CA 0.187 62.501 62.300 0.022 0.000 0.840 21 V CB 1.352 33.191 31.823 0.026 0.000 0.994 21 V HN 0.294 nan 8.190 nan 0.000 0.431 22 T N 0.862 115.466 114.554 0.083 0.000 2.975 22 T HA 0.351 4.701 4.350 -0.000 0.000 0.257 22 T C 0.220 174.927 174.700 0.011 0.000 1.003 22 T CA 0.298 62.431 62.100 0.056 0.000 0.932 22 T CB 0.388 69.254 68.868 -0.004 0.000 1.087 22 T HN 0.725 nan 8.240 nan 0.000 0.512 23 Q N 0.130 119.986 119.800 0.094 0.000 2.756 23 Q HA 0.709 5.048 4.340 -0.000 0.000 0.295 23 Q C -2.473 173.651 176.000 0.207 0.000 0.903 23 Q CA -1.110 54.737 55.803 0.073 0.000 0.768 23 Q CB 0.789 29.508 28.738 -0.031 0.000 1.472 23 Q HN 0.076 nan 8.270 nan 0.000 0.416 24 L N 2.530 123.906 121.223 0.255 0.000 2.528 24 L HA 0.534 4.874 4.340 -0.000 0.000 0.267 24 L C -0.830 176.211 176.870 0.285 0.000 0.961 24 L CA -0.010 55.014 54.840 0.308 0.000 0.866 24 L CB 1.419 43.784 42.059 0.510 0.000 1.248 24 L HN 0.883 nan 8.230 nan 0.000 0.404 25 N N 1.166 119.983 118.700 0.195 0.000 2.753 25 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 25 N C 0.527 176.110 175.510 0.123 0.000 1.097 25 N CA 0.845 54.000 53.050 0.176 0.000 0.786 25 N CB -0.670 37.918 38.487 0.170 0.000 1.137 25 N HN 0.674 nan 8.380 nan 0.000 0.566 26 R N 1.160 121.607 120.500 -0.089 0.000 2.438 26 R HA 0.378 4.718 4.340 -0.000 0.000 0.287 26 R C 0.726 176.845 176.300 -0.301 0.000 1.077 26 R CA -0.364 55.391 56.100 -0.575 0.000 1.034 26 R CB 0.571 30.546 30.300 -0.543 0.000 0.993 26 R HN 0.114 nan 8.270 nan 0.000 0.459 27 L N 2.516 123.550 121.223 -0.315 0.000 2.470 27 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 27 L C 0.655 177.480 176.870 -0.076 0.000 1.227 27 L CA -0.601 54.170 54.840 -0.115 0.000 0.824 27 L CB 0.388 42.420 42.059 -0.045 0.000 1.175 27 L HN 0.742 nan 8.230 nan 0.000 0.503 28 A N 0.361 123.185 122.820 0.008 0.000 2.322 28 A HA 0.608 4.928 4.320 -0.000 0.000 0.269 28 A C 0.139 177.789 177.584 0.109 0.000 1.094 28 A CA -0.222 51.838 52.037 0.038 0.000 0.807 28 A CB 0.523 19.562 19.000 0.066 0.000 1.047 28 A HN 0.753 nan 8.150 nan 0.000 0.487 29 A N 1.185 124.019 122.820 0.023 0.000 2.406 29 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 29 A C 0.155 177.740 177.584 0.001 0.000 1.082 29 A CA 0.739 52.730 52.037 -0.076 0.000 0.786 29 A CB -0.175 18.758 19.000 -0.111 0.000 1.029 29 A HN 2.073 nan 8.150 nan 0.000 0.495 30 H N -2.582 116.420 119.070 -0.114 0.000 2.883 30 H HA 0.541 5.096 4.556 -0.000 0.000 0.266 30 H C -3.423 171.698 175.328 -0.344 0.000 1.446 30 H CA -1.443 54.503 56.048 -0.170 0.000 1.179 30 H CB -0.052 29.639 29.762 -0.119 0.000 1.806 30 H HN 0.425 nan 8.280 nan 0.000 0.467 31 P HA 0.219 nan 4.420 nan 0.000 0.274 31 P C -2.610 174.390 177.300 -0.500 0.000 1.256 31 P CA -1.567 61.309 63.100 -0.374 0.000 0.795 31 P CB -0.413 31.042 31.700 -0.408 0.000 1.038 32 P HA 0.105 nan 4.420 nan 0.000 0.262 32 P C -0.788 176.494 177.300 -0.031 0.000 1.199 32 P CA 0.878 63.870 63.100 -0.181 0.000 0.763 32 P CB -0.203 31.483 31.700 -0.022 0.000 0.790 33 F N 1.420 121.491 119.950 0.202 0.000 2.507 33 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 33 F C 1.202 176.970 175.800 -0.053 0.000 1.068 33 F CA -0.946 57.117 58.000 0.104 0.000 0.965 33 F CB 1.921 40.942 39.000 0.035 0.000 1.192 33 F HN 0.236 nan 8.300 nan 0.000 0.476 34 A N 0.246 123.075 122.820 0.015 0.000 2.263 34 A HA 0.269 4.589 4.320 -0.000 0.000 0.200 34 A C 0.821 178.173 177.584 -0.387 0.000 1.428 34 A CA 0.540 52.313 52.037 -0.439 0.000 1.050 34 A CB -0.069 18.082 19.000 -1.416 0.000 1.226 34 A HN 0.778 nan 8.150 nan 0.000 0.501 35 S N -0.324 115.271 115.700 -0.174 0.000 3.749 35 S HA -0.134 4.336 4.470 -0.000 0.000 0.348 35 S C -0.033 174.538 174.600 -0.049 0.000 1.045 35 S CA 0.382 58.512 58.200 -0.117 0.000 1.051 35 S CB -1.755 61.341 63.200 -0.173 0.000 0.898 35 S HN 0.504 nan 8.310 nan 0.000 0.472 36 W N 0.626 121.930 121.300 0.007 0.000 2.187 36 W HA 0.130 4.790 4.660 -0.000 0.000 0.348 36 W C 1.252 177.769 176.519 -0.003 0.000 1.282 36 W CA -0.193 57.160 57.345 0.013 0.000 1.271 36 W CB 0.126 29.592 29.460 0.011 0.000 1.170 36 W HN 0.260 nan 8.180 nan 0.000 0.583 37 R N 1.434 122.090 120.500 0.259 0.000 2.509 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.300 37 R C -0.060 176.322 176.300 0.138 0.000 0.985 37 R CA -0.135 56.056 56.100 0.151 0.000 1.092 37 R CB -0.433 29.928 30.300 0.102 0.000 1.237 37 R HN 0.358 nan 8.270 nan 0.000 0.546 38 N N -0.254 118.550 118.700 0.173 0.000 2.336 38 N HA 0.004 4.744 4.740 -0.000 0.000 0.290 38 N C 0.510 176.020 175.510 -0.000 0.000 1.058 38 N CA 0.231 53.330 53.050 0.081 0.000 0.865 38 N CB 2.023 40.553 38.487 0.071 0.000 1.581 38 N HN -0.087 nan 8.380 nan 0.000 0.480 39 S N 3.015 118.687 115.700 -0.047 0.000 2.365 39 S HA -0.186 4.284 4.470 -0.000 0.000 0.221 39 S C 1.256 175.707 174.600 -0.248 0.000 1.037 39 S CA 1.338 59.461 58.200 -0.129 0.000 1.060 39 S CB -0.391 62.762 63.200 -0.078 0.000 0.974 39 S HN 0.645 nan 8.310 nan 0.000 0.427 40 E N 1.329 121.412 120.200 -0.196 0.000 2.108 40 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 40 E C 2.163 178.590 176.600 -0.289 0.000 1.022 40 E CA 1.771 58.026 56.400 -0.243 0.000 0.823 40 E CB -0.641 28.968 29.700 -0.151 0.000 0.744 40 E HN 0.778 nan 8.360 nan 0.000 0.456 41 E N 0.169 120.229 120.200 -0.233 0.000 2.023 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 41 E C 2.087 178.241 176.600 -0.743 0.000 1.003 41 E CA 1.157 57.417 56.400 -0.233 0.000 0.809 41 E CB -0.207 29.550 29.700 0.095 0.000 0.755 41 E HN 0.250 nan 8.360 nan 0.000 0.449 42 A N 1.621 123.581 122.820 -1.432 0.000 1.917 42 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 42 A C 2.125 179.040 177.584 -1.115 0.000 1.182 42 A CA 2.020 52.653 52.037 -2.340 0.000 0.633 42 A CB -0.643 17.509 19.000 -1.413 0.000 0.819 42 A HN 0.150 nan 8.150 nan 0.000 0.448 43 R N -0.196 119.885 120.500 -0.698 0.000 2.091 43 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 43 R C 1.553 177.601 176.300 -0.422 0.000 1.136 43 R CA 2.088 57.862 56.100 -0.544 0.000 0.959 43 R CB -0.483 29.441 30.300 -0.626 0.000 0.856 43 R HN 0.587 nan 8.270 nan 0.000 0.437 44 T N -2.203 112.136 114.554 -0.358 0.000 3.244 44 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 44 T C -0.003 174.629 174.700 -0.112 0.000 1.024 44 T CA 0.153 62.130 62.100 -0.206 0.000 0.920 44 T CB 0.140 68.912 68.868 -0.160 0.000 1.042 44 T HN 0.308 nan 8.240 nan 0.000 0.572 45 D N 1.657 121.959 120.400 -0.164 0.000 2.686 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 45 D C 0.465 176.901 176.300 0.226 0.000 1.160 45 D CA 0.418 54.461 54.000 0.071 0.000 0.645 45 D CB -0.451 40.416 40.800 0.112 0.000 1.039 45 D HN 0.437 nan 8.370 nan 0.000 0.423 46 R N -0.243 120.408 120.500 0.252 0.000 2.811 46 R HA 0.565 4.905 4.340 -0.000 0.000 0.237 46 R C -2.001 174.561 176.300 0.437 0.000 1.231 46 R CA -0.840 55.437 56.100 0.294 0.000 1.070 46 R CB -0.749 29.688 30.300 0.229 0.000 1.126 46 R HN 0.173 nan 8.270 nan 0.000 0.540 47 P HA 0.198 nan 4.420 nan 0.000 0.304 47 P C -1.005 176.341 177.300 0.077 0.000 1.365 47 P CA -0.488 62.710 63.100 0.164 0.000 0.935 47 P CB 1.804 33.569 31.700 0.109 0.000 1.091 48 S N 1.952 117.550 115.700 -0.169 0.000 2.554 48 S HA 0.139 4.609 4.470 -0.000 0.000 0.278 48 S C 1.094 175.657 174.600 -0.061 0.000 1.242 48 S CA -0.433 57.618 58.200 -0.248 0.000 1.051 48 S CB 0.596 63.390 63.200 -0.676 0.000 0.986 48 S HN 0.336 nan 8.310 nan 0.000 0.502 49 Q N 2.733 122.551 119.800 0.030 0.000 2.425 49 Q HA 0.011 4.351 4.340 -0.000 0.000 0.204 49 Q C 0.793 176.942 176.000 0.248 0.000 0.933 49 Q CA 0.314 56.196 55.803 0.132 0.000 0.939 49 Q CB -0.324 28.505 28.738 0.152 0.000 1.044 49 Q HN 0.861 nan 8.270 nan 0.000 0.513 50 Q N 0.436 120.303 119.800 0.111 0.000 2.444 50 Q HA 0.166 4.506 4.340 -0.000 0.000 0.206 50 Q C -0.018 176.038 176.000 0.094 0.000 0.948 50 Q CA 0.040 55.891 55.803 0.081 0.000 0.946 50 Q CB -0.035 28.644 28.738 -0.099 0.000 1.027 50 Q HN 0.163 nan 8.270 nan 0.000 0.513 51 L N 1.237 122.526 121.223 0.110 0.000 2.325 51 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 51 L C -1.058 175.898 176.870 0.144 0.000 1.004 51 L CA -0.466 54.429 54.840 0.091 0.000 0.823 51 L CB 1.447 43.484 42.059 -0.036 0.000 1.236 51 L HN -0.082 nan 8.230 nan 0.000 0.415 52 R N 2.642 123.245 120.500 0.172 0.000 2.575 52 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 52 R C -1.015 175.320 176.300 0.058 0.000 0.983 52 R CA -0.482 55.686 56.100 0.113 0.000 0.887 52 R CB 2.219 32.592 30.300 0.120 0.000 1.184 52 R HN 0.710 nan 8.270 nan 0.000 0.445 53 S N 3.234 118.959 115.700 0.042 0.000 2.562 53 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 53 S C 0.870 175.495 174.600 0.042 0.000 1.281 53 S CA -0.511 57.713 58.200 0.040 0.000 1.045 53 S CB 0.583 63.815 63.200 0.053 0.000 0.962 53 S HN 0.584 nan 8.310 nan 0.000 0.503 54 L N 3.411 124.676 121.223 0.071 0.000 2.857 54 L HA 0.287 4.627 4.340 -0.000 0.000 0.249 54 L C 0.031 177.121 176.870 0.367 0.000 1.172 54 L CA -0.320 54.600 54.840 0.135 0.000 0.980 54 L CB -0.463 41.657 42.059 0.102 0.000 1.299 54 L HN 0.531 nan 8.230 nan 0.000 0.535 55 N N 1.657 120.494 118.700 0.229 0.000 2.518 55 N HA 0.491 5.231 4.740 -0.000 0.000 0.266 55 N C 0.657 176.326 175.510 0.264 0.000 1.196 55 N CA 0.738 53.925 53.050 0.228 0.000 0.947 55 N CB 1.772 40.315 38.487 0.093 0.000 1.098 55 N HN 0.297 nan 8.380 nan 0.000 0.450 56 G N 0.541 109.532 108.800 0.318 0.000 2.347 56 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.224 56 G C -1.419 173.735 174.900 0.423 0.000 1.318 56 G CA -0.792 44.478 45.100 0.283 0.000 1.016 56 G HN 0.459 nan 8.290 nan 0.000 0.469 57 E N -0.320 120.075 120.200 0.325 0.000 2.316 57 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 57 E C -0.947 175.916 176.600 0.439 0.000 1.029 57 E CA 0.058 56.650 56.400 0.320 0.000 0.871 57 E CB 0.663 30.465 29.700 0.170 0.000 1.022 57 E HN 0.384 nan 8.360 nan 0.000 0.418 58 W N 1.583 122.958 121.300 0.125 0.000 3.060 58 W HA 0.437 5.097 4.660 -0.000 0.000 0.346 58 W C -0.505 176.111 176.519 0.162 0.000 1.194 58 W CA -0.692 56.753 57.345 0.167 0.000 1.105 58 W CB 0.948 30.553 29.460 0.241 0.000 1.487 58 W HN 0.259 nan 8.180 nan 0.000 0.592 59 R N 1.525 122.290 120.500 0.442 0.000 2.445 59 R HA 0.591 4.931 4.340 -0.000 0.000 0.308 59 R C -1.535 174.949 176.300 0.307 0.000 0.961 59 R CA -0.801 55.482 56.100 0.305 0.000 0.862 59 R CB 1.963 32.388 30.300 0.208 0.000 1.144 59 R HN 0.345 nan 8.270 nan 0.000 0.447 60 F N 1.376 121.322 119.950 -0.007 0.000 2.546 60 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 60 F C -1.287 174.377 175.800 -0.226 0.000 1.076 60 F CA -0.682 57.172 58.000 -0.243 0.000 0.928 60 F CB 2.042 40.752 39.000 -0.484 0.000 1.189 60 F HN 0.639 nan 8.300 nan 0.000 0.465 61 A N 4.287 126.175 122.820 -1.553 0.000 2.517 61 A HA 0.520 4.840 4.320 -0.000 0.000 0.297 61 A C -2.441 174.300 177.584 -1.406 0.000 1.050 61 A CA -0.521 50.836 52.037 -1.134 0.000 0.694 61 A CB 0.469 19.200 19.000 -0.449 0.000 1.277 61 A HN 0.977 nan 8.150 nan 0.000 0.400 62 W N 2.504 123.066 121.300 -1.230 0.000 2.606 62 W HA 0.797 5.457 4.660 -0.000 0.000 0.332 62 W C -1.984 174.082 176.519 -0.756 0.000 1.052 62 W CA -0.555 56.264 57.345 -0.876 0.000 1.223 62 W CB 1.321 30.450 29.460 -0.551 0.000 1.383 62 W HN 0.502 nan 8.180 nan 0.000 0.524 63 F N 5.544 124.890 119.950 -1.007 0.000 2.591 63 F HA 0.330 4.857 4.527 -0.000 0.000 0.309 63 F C -1.417 173.559 175.800 -1.374 0.000 1.098 63 F CA -2.565 54.969 58.000 -0.775 0.000 0.937 63 F CB 1.547 40.239 39.000 -0.514 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.447 64 P HA 0.021 nan 4.420 nan 0.000 0.225 64 P C -0.181 177.022 177.300 -0.162 0.000 1.148 64 P CA 1.143 64.068 63.100 -0.292 0.000 0.779 64 P CB 0.551 32.327 31.700 0.127 0.000 0.780 65 A N -1.280 121.450 122.820 -0.150 0.000 2.605 65 A HA 0.528 4.848 4.320 -0.000 0.000 0.294 65 A C -2.402 175.081 177.584 -0.168 0.000 1.062 65 A CA -1.075 50.901 52.037 -0.103 0.000 0.682 65 A CB 0.600 19.601 19.000 0.001 0.000 1.278 65 A HN -0.281 nan 8.150 nan 0.000 0.410 66 P HA -0.160 nan 4.420 nan 0.000 0.215 66 P C 1.022 178.209 177.300 -0.189 0.000 1.157 66 P CA 1.863 64.807 63.100 -0.260 0.000 0.863 66 P CB -0.016 31.492 31.700 -0.320 0.000 0.787 67 E N 0.747 120.904 120.200 -0.072 0.000 2.171 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 67 E C 1.817 178.382 176.600 -0.059 0.000 0.997 67 E CA 1.579 57.964 56.400 -0.025 0.000 0.810 67 E CB -1.230 28.492 29.700 0.037 0.000 0.738 67 E HN 0.219 nan 8.360 nan 0.000 0.467 68 A N 1.710 124.490 122.820 -0.066 0.000 2.255 68 A HA 0.149 4.469 4.320 -0.000 0.000 0.206 68 A C 1.110 178.590 177.584 -0.173 0.000 1.193 68 A CA -0.003 52.023 52.037 -0.019 0.000 0.794 68 A CB -0.220 18.854 19.000 0.124 0.000 0.794 68 A HN 0.056 nan 8.150 nan 0.000 0.481 69 V N 1.014 120.689 119.914 -0.399 0.000 2.834 69 V HA 0.289 4.409 4.120 -0.000 0.000 0.301 69 V C -2.374 173.557 176.094 -0.272 0.000 1.066 69 V CA -1.361 60.549 62.300 -0.650 0.000 1.052 69 V CB 1.049 32.304 31.823 -0.945 0.000 1.021 69 V HN 0.264 nan 8.190 nan 0.000 0.480 70 P HA 0.438 nan 4.420 nan 0.000 0.306 70 P C 0.176 177.477 177.300 0.002 0.000 1.385 70 P CA -0.598 62.478 63.100 -0.041 0.000 0.915 70 P CB 1.795 33.514 31.700 0.031 0.000 1.013 71 E N 1.446 121.630 120.200 -0.026 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.515 178.081 176.600 -0.056 0.000 1.004 71 E CA 2.141 58.510 56.400 -0.053 0.000 0.813 71 E CB -0.215 29.456 29.700 -0.049 0.000 0.736 71 E HN 0.387 nan 8.360 nan 0.000 0.468 72 S N -0.102 115.592 115.700 -0.010 0.000 2.387 72 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 72 S C 1.452 176.044 174.600 -0.013 0.000 1.035 72 S CA 1.201 59.397 58.200 -0.007 0.000 1.014 72 S CB -0.786 62.434 63.200 0.033 0.000 0.836 72 S HN 0.551 nan 8.310 nan 0.000 0.466 73 W N 2.641 123.857 121.300 -0.140 0.000 2.292 73 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 73 W C 1.640 178.047 176.519 -0.186 0.000 1.228 73 W CA 1.132 58.383 57.345 -0.156 0.000 1.241 73 W CB -0.684 28.650 29.460 -0.210 0.000 1.142 73 W HN 0.248 nan 8.180 nan 0.000 0.520 74 L N 0.038 120.969 121.223 -0.486 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.607 179.203 176.870 -0.457 0.000 1.083 74 L CA 1.535 55.961 54.840 -0.689 0.000 0.752 74 L CB -0.714 41.013 42.059 -0.553 0.000 0.899 74 L HN -0.049 nan 8.230 nan 0.000 0.433 75 E N -1.246 118.787 120.200 -0.279 0.000 2.079 75 E HA 0.069 4.419 4.350 -0.000 0.000 0.191 75 E C 0.353 176.864 176.600 -0.148 0.000 0.961 75 E CA 0.448 56.744 56.400 -0.174 0.000 0.823 75 E CB 0.110 29.747 29.700 -0.105 0.000 0.789 75 E HN 0.317 nan 8.360 nan 0.000 0.459 76 C N 1.921 121.151 119.300 -0.116 0.000 2.507 76 C HA 0.361 4.821 4.460 -0.000 0.000 0.319 76 C C 0.196 175.180 174.990 -0.010 0.000 1.208 76 C CA -1.272 57.711 59.018 -0.057 0.000 1.619 76 C CB 1.564 29.293 27.740 -0.019 0.000 2.230 76 C HN 0.243 nan 8.230 nan 0.000 0.492 77 D N 1.274 121.684 120.400 0.016 0.000 2.378 77 D HA 0.217 4.857 4.640 -0.000 0.000 0.238 77 D C -0.125 176.250 176.300 0.125 0.000 1.180 77 D CA 0.443 54.500 54.000 0.096 0.000 0.895 77 D CB 0.672 41.515 40.800 0.072 0.000 1.192 77 D HN 0.358 nan 8.370 nan 0.000 0.438 78 L N 2.462 123.786 121.223 0.168 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.262 78 L C -1.198 175.713 176.870 0.070 0.000 1.093 78 L CA -1.546 53.365 54.840 0.119 0.000 0.801 78 L CB 0.635 42.769 42.059 0.125 0.000 1.191 78 L HN 0.268 nan 8.230 nan 0.000 0.459 79 P HA -0.036 nan 4.420 nan 0.000 0.216 79 P C 0.588 177.901 177.300 0.021 0.000 1.156 79 P CA 0.894 64.013 63.100 0.031 0.000 0.855 79 P CB 0.226 31.940 31.700 0.023 0.000 0.786 80 E N 0.126 120.332 120.200 0.009 0.000 2.494 80 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 80 E C 0.763 177.354 176.600 -0.015 0.000 1.074 80 E CA -0.088 56.305 56.400 -0.013 0.000 0.867 80 E CB -0.758 28.916 29.700 -0.043 0.000 0.924 80 E HN 0.178 nan 8.360 nan 0.000 0.502 81 A N 1.263 124.088 122.820 0.009 0.000 2.445 81 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 81 A C -0.033 177.582 177.584 0.051 0.000 1.075 81 A CA -0.234 51.811 52.037 0.013 0.000 0.777 81 A CB 0.371 19.407 19.000 0.059 0.000 1.013 81 A HN 0.052 nan 8.150 nan 0.000 0.493 82 D N 0.206 120.659 120.400 0.088 0.000 2.326 82 D HA 0.430 5.070 4.640 -0.000 0.000 0.248 82 D C -0.668 175.721 176.300 0.148 0.000 1.001 82 D CA -0.068 54.012 54.000 0.132 0.000 0.961 82 D CB 1.634 42.568 40.800 0.223 0.000 1.183 82 D HN 0.428 nan 8.370 nan 0.000 0.502 83 T N 0.912 115.539 114.554 0.122 0.000 2.767 83 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 83 T C -0.088 174.684 174.700 0.119 0.000 0.973 83 T CA -0.424 61.754 62.100 0.131 0.000 0.996 83 T CB 1.042 69.970 68.868 0.100 0.000 0.927 83 T HN 0.047 nan 8.240 nan 0.000 0.456 84 V N 3.422 123.434 119.914 0.164 0.000 3.040 84 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 84 V C -0.320 175.878 176.094 0.172 0.000 1.115 84 V CA -0.922 61.444 62.300 0.110 0.000 0.998 84 V CB 2.436 34.308 31.823 0.083 0.000 1.042 84 V HN 0.633 nan 8.190 nan 0.000 0.433 85 V N 2.371 122.358 119.914 0.121 0.000 2.481 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 85 V C -0.214 175.929 176.094 0.080 0.000 1.042 85 V CA -0.427 61.949 62.300 0.127 0.000 0.928 85 V CB 1.565 33.436 31.823 0.081 0.000 0.986 85 V HN 0.556 nan 8.190 nan 0.000 0.462 86 V N 6.782 126.690 119.914 -0.011 0.000 2.604 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 86 V C -2.275 173.738 176.094 -0.136 0.000 1.043 86 V CA -1.735 60.442 62.300 -0.205 0.000 0.888 86 V CB 2.691 34.064 31.823 -0.750 0.000 0.995 86 V HN 0.786 nan 8.190 nan 0.000 0.429 87 P HA 0.580 nan 4.420 nan 0.000 0.278 87 P C -0.970 176.283 177.300 -0.079 0.000 1.258 87 P CA -0.284 62.725 63.100 -0.152 0.000 0.811 87 P CB 1.523 33.138 31.700 -0.141 0.000 1.063 88 S N -0.349 115.325 115.700 -0.043 0.000 2.643 88 S HA 0.392 4.862 4.470 -0.000 0.000 0.266 88 S C -1.486 173.084 174.600 -0.051 0.000 1.130 88 S CA -1.013 57.158 58.200 -0.048 0.000 0.817 88 S CB 0.124 63.312 63.200 -0.020 0.000 1.107 88 S HN 0.333 nan 8.310 nan 0.000 0.471 89 N N 1.139 119.729 118.700 -0.183 0.000 2.444 89 N HA 0.424 5.164 4.740 -0.000 0.000 0.262 89 N C 0.527 175.897 175.510 -0.234 0.000 0.974 89 N CA -0.755 52.160 53.050 -0.225 0.000 0.933 89 N CB 0.714 39.025 38.487 -0.293 0.000 1.137 89 N HN 0.817 nan 8.380 nan 0.000 0.498 90 W N 3.064 124.239 121.300 -0.207 0.000 2.350 90 W HA -0.169 4.491 4.660 -0.000 0.000 0.289 90 W C 0.947 177.458 176.519 -0.013 0.000 1.215 90 W CA 1.142 58.371 57.345 -0.193 0.000 1.236 90 W CB -0.440 28.825 29.460 -0.325 0.000 1.130 90 W HN 0.498 nan 8.180 nan 0.000 0.541 91 Q N 0.244 120.056 119.800 0.020 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 2.052 178.035 176.000 -0.029 0.000 0.976 91 Q CA 1.671 57.502 55.803 0.046 0.000 0.875 91 Q CB -0.629 28.009 28.738 -0.166 0.000 0.927 91 Q HN 0.241 nan 8.270 nan 0.000 0.450 92 M N -0.890 118.615 119.600 -0.159 0.000 2.630 92 M HA -0.037 4.443 4.480 -0.000 0.000 0.254 92 M C 0.412 176.684 176.300 -0.045 0.000 1.092 92 M CA 1.242 56.428 55.300 -0.189 0.000 1.087 92 M CB -0.530 31.888 32.600 -0.303 0.000 1.453 92 M HN 0.335 nan 8.290 nan 0.000 0.509 93 H N -1.359 117.784 119.070 0.122 0.000 2.592 93 H HA 0.354 4.910 4.556 -0.000 0.000 0.279 93 H C 1.257 176.512 175.328 -0.122 0.000 1.089 93 H CA 0.090 56.191 56.048 0.089 0.000 1.150 93 H CB 0.467 30.428 29.762 0.332 0.000 1.575 93 H HN 0.502 nan 8.280 nan 0.000 0.547 94 G N 0.624 109.464 108.800 0.067 0.000 2.179 94 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.260 94 G C 0.520 175.330 174.900 -0.150 0.000 0.977 94 G CA 0.607 45.662 45.100 -0.075 0.000 0.641 94 G HN 0.471 nan 8.290 nan 0.000 0.533 95 Y N 1.814 122.150 120.300 0.060 0.000 2.207 95 Y HA 0.196 4.746 4.550 -0.000 0.000 0.287 95 Y C 1.722 177.444 175.900 -0.296 0.000 1.156 95 Y CA 1.641 59.649 58.100 -0.153 0.000 1.182 95 Y CB -0.073 38.307 38.460 -0.134 0.000 0.979 95 Y HN 0.664 nan 8.280 nan 0.000 0.521 96 D N -2.432 118.116 120.400 0.246 0.000 2.768 96 D HA 0.512 5.152 4.640 -0.000 0.000 0.327 96 D C -1.158 175.278 176.300 0.227 0.000 1.302 96 D CA -0.768 53.378 54.000 0.242 0.000 0.897 96 D CB 0.690 41.797 40.800 0.512 0.000 1.420 96 D HN 0.002 nan 8.370 nan 0.000 0.494 97 A N -0.348 122.604 122.820 0.220 0.000 2.316 97 A HA 0.704 5.024 4.320 -0.000 0.000 0.284 97 A C -2.413 175.225 177.584 0.091 0.000 1.115 97 A CA -1.135 51.003 52.037 0.169 0.000 0.812 97 A CB 0.095 19.242 19.000 0.245 0.000 1.064 97 A HN 0.488 nan 8.150 nan 0.000 0.489 98 P HA 0.505 nan 4.420 nan 0.000 0.288 98 P C -0.857 176.577 177.300 0.224 0.000 1.267 98 P CA -0.009 63.030 63.100 -0.101 0.000 0.815 98 P CB 0.886 32.237 31.700 -0.582 0.000 0.989 99 I N 2.241 123.040 120.570 0.380 0.000 2.493 99 I HA 0.344 4.514 4.170 -0.000 0.000 0.298 99 I C -0.628 175.710 176.117 0.368 0.000 0.998 99 I CA -0.979 60.559 61.300 0.396 0.000 1.137 99 I CB 1.803 39.957 38.000 0.256 0.000 1.310 99 I HN 0.311 nan 8.210 nan 0.000 0.445 100 Y N 5.333 125.614 120.300 -0.032 0.000 2.686 100 Y HA 0.430 4.980 4.550 -0.000 0.000 0.331 100 Y C -0.383 175.364 175.900 -0.255 0.000 0.996 100 Y CA -0.523 57.298 58.100 -0.465 0.000 1.293 100 Y CB 0.844 38.415 38.460 -1.482 0.000 1.092 100 Y HN 0.675 nan 8.280 nan 0.000 0.524 101 T N 0.969 114.987 114.554 -0.893 0.000 2.930 101 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 101 T C 0.201 174.368 174.700 -0.889 0.000 1.052 101 T CA -0.810 60.794 62.100 -0.827 0.000 1.017 101 T CB 2.332 70.940 68.868 -0.433 0.000 1.137 101 T HN 0.700 nan 8.240 nan 0.000 0.511 102 N N -0.211 118.067 118.700 -0.704 0.000 2.622 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.213 102 N C 1.170 176.381 175.510 -0.497 0.000 1.037 102 N CA 0.172 52.916 53.050 -0.509 0.000 0.999 102 N CB 0.417 38.619 38.487 -0.474 0.000 1.342 102 N HN 0.334 nan 8.380 nan 0.000 0.465 103 V N 0.913 120.470 119.914 -0.595 0.000 2.521 103 V HA 0.087 4.207 4.120 -0.000 0.000 0.239 103 V C 0.613 176.369 176.094 -0.563 0.000 1.053 103 V CA 0.767 62.638 62.300 -0.715 0.000 1.073 103 V CB -0.089 31.236 31.823 -0.830 0.000 0.746 103 V HN 0.280 nan 8.190 nan 0.000 0.476 104 T N 1.143 115.438 114.554 -0.432 0.000 2.871 104 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 104 T C -0.405 174.133 174.700 -0.271 0.000 0.998 104 T CA 0.369 62.291 62.100 -0.297 0.000 1.162 104 T CB -0.299 68.434 68.868 -0.224 0.000 0.947 104 T HN 0.189 nan 8.240 nan 0.000 0.536 105 Y N 4.837 125.027 120.300 -0.185 0.000 2.597 105 Y HA 0.112 4.662 4.550 -0.000 0.000 0.336 105 Y C -0.939 174.819 175.900 -0.236 0.000 1.216 105 Y CA -1.830 56.147 58.100 -0.204 0.000 1.463 105 Y CB 0.429 38.764 38.460 -0.207 0.000 1.303 105 Y HN 0.556 nan 8.280 nan 0.000 0.576 106 P HA -0.124 nan 4.420 nan 0.000 0.220 106 P C 0.129 177.234 177.300 -0.326 0.000 1.148 106 P CA 1.406 64.386 63.100 -0.200 0.000 0.803 106 P CB 0.194 31.756 31.700 -0.230 0.000 0.782 107 I N -4.836 115.479 120.570 -0.425 0.000 3.237 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.308 107 I C -0.583 175.392 176.117 -0.236 0.000 1.093 107 I CA -1.054 59.980 61.300 -0.442 0.000 1.001 107 I CB 1.501 39.069 38.000 -0.720 0.000 1.245 107 I HN -0.425 nan 8.210 nan 0.000 0.485 108 T N 2.263 116.719 114.554 -0.163 0.000 2.919 108 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 108 T C 0.141 174.820 174.700 -0.036 0.000 1.031 108 T CA -0.322 61.741 62.100 -0.063 0.000 1.127 108 T CB 0.990 69.852 68.868 -0.010 0.000 0.952 108 T HN 0.375 nan 8.240 nan 0.000 0.540 109 V N 4.635 124.553 119.914 0.006 0.000 2.352 109 V HA 0.252 4.372 4.120 -0.000 0.000 0.253 109 V C 0.648 176.812 176.094 0.117 0.000 1.083 109 V CA -0.180 62.158 62.300 0.064 0.000 0.993 109 V CB -0.386 31.460 31.823 0.038 0.000 1.111 109 V HN 0.845 nan 8.190 nan 0.000 0.490 110 N N 5.621 124.463 118.700 0.235 0.000 2.679 110 N HA 0.241 4.981 4.740 -0.000 0.000 0.240 110 N C -2.993 172.582 175.510 0.108 0.000 1.537 110 N CA -1.243 51.916 53.050 0.183 0.000 0.793 110 N CB 1.476 40.118 38.487 0.259 0.000 1.391 110 N HN 0.263 nan 8.380 nan 0.000 0.524 111 P HA 0.181 nan 4.420 nan 0.000 0.266 111 P C -2.375 174.600 177.300 -0.541 0.000 1.195 111 P CA -0.713 61.887 63.100 -0.833 0.000 0.768 111 P CB 0.368 31.392 31.700 -1.125 0.000 0.838 112 P HA 0.276 nan 4.420 nan 0.000 0.257 112 P C -0.679 176.454 177.300 -0.278 0.000 1.737 112 P CA -0.356 62.459 63.100 -0.475 0.000 1.130 112 P CB -0.208 31.254 31.700 -0.397 0.000 1.572 113 F N -0.327 119.739 119.950 0.192 0.000 2.396 113 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 113 F C 1.131 177.114 175.800 0.306 0.000 1.104 113 F CA -0.959 57.169 58.000 0.214 0.000 1.161 113 F CB 1.176 40.248 39.000 0.120 0.000 1.146 113 F HN -0.263 nan 8.300 nan 0.000 0.522 114 V N 3.701 123.921 119.914 0.510 0.000 2.966 114 V HA 0.416 4.536 4.120 -0.000 0.000 0.317 114 V C -2.010 174.282 176.094 0.330 0.000 1.070 114 V CA -1.890 60.644 62.300 0.388 0.000 1.008 114 V CB 1.878 34.025 31.823 0.539 0.000 1.070 114 V HN 0.523 nan 8.190 nan 0.000 0.457 115 P HA 0.167 nan 4.420 nan 0.000 0.285 115 P C 0.807 178.272 177.300 0.274 0.000 1.259 115 P CA -0.047 63.178 63.100 0.209 0.000 0.794 115 P CB 0.909 32.690 31.700 0.136 0.000 0.940 116 T N 0.239 114.916 114.554 0.205 0.000 2.721 116 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 116 T C 0.372 175.187 174.700 0.190 0.000 1.038 116 T CA 1.413 63.628 62.100 0.193 0.000 1.145 116 T CB -0.815 68.130 68.868 0.128 0.000 0.858 116 T HN 0.385 nan 8.240 nan 0.000 0.459 117 E N 2.722 123.038 120.200 0.194 0.000 1.941 117 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 117 E C -0.644 176.108 176.600 0.254 0.000 1.113 117 E CA -0.301 56.213 56.400 0.190 0.000 0.878 117 E CB 0.316 30.133 29.700 0.195 0.000 1.070 117 E HN 0.496 nan 8.360 nan 0.000 0.399 118 N N 3.354 122.158 118.700 0.174 0.000 2.531 118 N HA 0.291 5.031 4.740 -0.000 0.000 0.268 118 N C -2.813 172.667 175.510 -0.050 0.000 1.023 118 N CA -2.718 50.431 53.050 0.164 0.000 0.896 118 N CB 1.117 39.748 38.487 0.240 0.000 1.233 118 N HN -0.028 nan 8.380 nan 0.000 0.512 119 P HA -0.002 nan 4.420 nan 0.000 0.256 119 P C -0.757 176.389 177.300 -0.256 0.000 1.173 119 P CA 0.548 63.513 63.100 -0.225 0.000 0.768 119 P CB 0.157 31.976 31.700 0.198 0.000 0.758 120 T N 2.667 116.874 114.554 -0.578 0.000 2.824 120 T HA 0.603 4.953 4.350 -0.000 0.000 0.280 120 T C 0.457 174.731 174.700 -0.710 0.000 0.995 120 T CA -0.545 61.282 62.100 -0.455 0.000 1.009 120 T CB 1.689 70.305 68.868 -0.420 0.000 0.955 120 T HN 0.321 nan 8.240 nan 0.000 0.452 121 G N 0.899 109.426 108.800 -0.456 0.000 2.533 121 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 121 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 121 G C -0.335 174.499 174.900 -0.110 0.000 1.266 121 G CA -0.456 44.387 45.100 -0.429 0.000 0.967 121 G HN 0.905 nan 8.290 nan 0.000 0.493 122 C N 3.175 122.132 119.300 -0.571 0.000 2.281 122 C HA 0.478 4.938 4.460 -0.000 0.000 0.336 122 C C -0.487 174.473 174.990 -0.050 0.000 1.217 122 C CA -1.050 57.636 59.018 -0.554 0.000 1.730 122 C CB -1.755 25.039 27.740 -1.577 0.000 2.338 122 C HN 0.596 nan 8.230 nan 0.000 0.521 123 Y N 1.747 122.252 120.300 0.342 0.000 2.387 123 Y HA 0.625 5.175 4.550 -0.000 0.000 0.330 123 Y C 0.762 177.114 175.900 0.753 0.000 1.133 123 Y CA -0.458 57.987 58.100 0.576 0.000 1.152 123 Y CB 1.370 40.141 38.460 0.519 0.000 1.215 123 Y HN 0.695 nan 8.280 nan 0.000 0.466 124 S N 2.850 119.039 115.700 0.816 0.000 2.541 124 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 124 S C -1.594 173.096 174.600 0.150 0.000 1.133 124 S CA -0.878 57.611 58.200 0.481 0.000 0.876 124 S CB 2.202 65.635 63.200 0.388 0.000 1.105 124 S HN 0.678 nan 8.310 nan 0.000 0.470 125 L N 0.911 122.077 121.223 -0.095 0.000 2.565 125 L HA 0.685 5.025 4.340 -0.000 0.000 0.261 125 L C -1.512 175.334 176.870 -0.040 0.000 0.932 125 L CA -0.013 54.605 54.840 -0.370 0.000 0.878 125 L CB 2.245 43.493 42.059 -1.352 0.000 1.333 125 L HN 0.784 nan 8.230 nan 0.000 0.409 126 T N 5.282 119.826 114.554 -0.017 0.000 2.771 126 T HA 0.754 5.104 4.350 -0.000 0.000 0.281 126 T C -0.894 173.889 174.700 0.138 0.000 0.982 126 T CA -0.086 62.042 62.100 0.047 0.000 0.978 126 T CB 0.561 69.405 68.868 -0.039 0.000 0.930 126 T HN 0.469 nan 8.240 nan 0.000 0.447 127 F N 0.711 120.580 119.950 -0.134 0.000 2.711 127 F HA 0.695 5.222 4.527 -0.000 0.000 0.313 127 F C -0.985 174.757 175.800 -0.096 0.000 1.141 127 F CA -1.498 56.429 58.000 -0.122 0.000 0.941 127 F CB 1.325 40.243 39.000 -0.137 0.000 1.349 127 F HN 0.265 nan 8.300 nan 0.000 0.464 128 N N 0.148 118.798 118.700 -0.082 0.000 2.443 128 N HA 0.707 5.447 4.740 -0.000 0.000 0.295 128 N C -1.670 173.789 175.510 -0.086 0.000 1.076 128 N CA -0.591 52.366 53.050 -0.154 0.000 0.919 128 N CB 2.157 40.584 38.487 -0.099 0.000 1.176 128 N HN 0.582 nan 8.380 nan 0.000 0.487 129 V N 1.359 121.181 119.914 -0.153 0.000 2.540 129 V HA 0.266 4.386 4.120 -0.000 0.000 0.302 129 V C -0.211 175.764 176.094 -0.199 0.000 1.035 129 V CA -1.015 61.196 62.300 -0.149 0.000 0.873 129 V CB 1.600 33.389 31.823 -0.056 0.000 0.992 129 V HN 0.653 nan 8.190 nan 0.000 0.428 130 D N 2.912 123.097 120.400 -0.358 0.000 2.423 130 D HA -0.001 4.639 4.640 -0.000 0.000 0.238 130 D C 1.177 177.394 176.300 -0.138 0.000 1.142 130 D CA 0.193 54.020 54.000 -0.288 0.000 0.884 130 D CB 1.537 42.085 40.800 -0.420 0.000 1.199 130 D HN 0.877 nan 8.370 nan 0.000 0.438 131 E N 1.069 121.232 120.200 -0.061 0.000 2.299 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 131 E C 1.644 178.281 176.600 0.061 0.000 0.998 131 E CA 0.812 57.217 56.400 0.008 0.000 0.851 131 E CB -0.194 29.505 29.700 -0.001 0.000 0.795 131 E HN 0.378 nan 8.360 nan 0.000 0.492 132 S N 0.390 116.124 115.700 0.057 0.000 2.387 132 S HA -0.223 4.247 4.470 -0.000 0.000 0.230 132 S C 1.539 176.237 174.600 0.164 0.000 1.035 132 S CA 1.052 59.316 58.200 0.106 0.000 1.014 132 S CB -0.867 62.401 63.200 0.114 0.000 0.836 132 S HN 0.522 nan 8.310 nan 0.000 0.466 133 W N 1.472 122.644 121.300 -0.213 0.000 2.402 133 W HA 0.281 4.941 4.660 -0.000 0.000 0.286 133 W C 2.226 178.690 176.519 -0.092 0.000 1.221 133 W CA -0.065 57.023 57.345 -0.427 0.000 1.257 133 W CB -0.855 28.363 29.460 -0.404 0.000 1.120 133 W HN 0.314 nan 8.180 nan 0.000 0.551 134 L N -0.276 121.077 121.223 0.216 0.000 2.291 134 L HA -0.182 4.158 4.340 -0.000 0.000 0.214 134 L C 2.293 179.237 176.870 0.124 0.000 1.120 134 L CA 0.971 55.908 54.840 0.162 0.000 0.799 134 L CB -0.376 41.747 42.059 0.107 0.000 0.925 134 L HN 0.044 nan 8.230 nan 0.000 0.446 135 Q N -0.327 119.541 119.800 0.113 0.000 1.922 135 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 135 Q C 0.890 176.947 176.000 0.094 0.000 0.979 135 Q CA 1.052 56.907 55.803 0.087 0.000 0.841 135 Q CB -0.007 28.775 28.738 0.073 0.000 0.903 135 Q HN 0.260 nan 8.270 nan 0.000 0.431 136 E N 0.329 120.600 120.200 0.119 0.000 2.264 136 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 136 E C 0.337 177.035 176.600 0.164 0.000 0.961 136 E CA 0.007 56.473 56.400 0.110 0.000 0.834 136 E CB 1.040 30.787 29.700 0.079 0.000 1.230 136 E HN 0.347 nan 8.360 nan 0.000 0.412 137 G N 0.775 109.590 108.800 0.025 0.000 2.698 137 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.233 137 G C -0.838 173.962 174.900 -0.166 0.000 1.352 137 G CA 0.194 45.191 45.100 -0.171 0.000 0.879 137 G HN 0.796 nan 8.290 nan 0.000 0.567 138 Q N -0.642 118.911 119.800 -0.412 0.000 2.356 138 Q HA 0.653 4.993 4.340 -0.000 0.000 0.270 138 Q C -1.234 174.624 176.000 -0.235 0.000 1.058 138 Q CA -0.478 55.192 55.803 -0.222 0.000 0.802 138 Q CB 1.915 30.556 28.738 -0.162 0.000 1.303 138 Q HN 0.636 nan 8.270 nan 0.000 0.444 139 T N 4.641 119.206 114.554 0.019 0.000 2.809 139 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 139 T C -0.912 173.862 174.700 0.123 0.000 0.992 139 T CA -0.642 61.527 62.100 0.116 0.000 0.957 139 T CB 0.707 69.773 68.868 0.331 0.000 0.942 139 T HN 0.652 nan 8.240 nan 0.000 0.439 140 R N 3.365 123.916 120.500 0.085 0.000 2.837 140 R HA 0.721 5.061 4.340 -0.000 0.000 0.271 140 R C -1.312 175.031 176.300 0.072 0.000 0.993 140 R CA -0.951 55.204 56.100 0.092 0.000 0.931 140 R CB 1.661 32.000 30.300 0.065 0.000 1.206 140 R HN 0.537 nan 8.270 nan 0.000 0.474 141 I N 2.714 123.316 120.570 0.053 0.000 2.607 141 I HA 0.467 4.637 4.170 -0.000 0.000 0.305 141 I C -0.995 175.043 176.117 -0.133 0.000 0.995 141 I CA -1.449 59.808 61.300 -0.073 0.000 1.148 141 I CB 1.508 39.431 38.000 -0.128 0.000 1.323 141 I HN 0.644 nan 8.210 nan 0.000 0.461 142 I N 6.590 126.973 120.570 -0.312 0.000 2.512 142 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 142 I C -1.292 174.549 176.117 -0.461 0.000 1.069 142 I CA -0.368 60.765 61.300 -0.278 0.000 1.056 142 I CB 1.751 39.676 38.000 -0.124 0.000 1.229 142 I HN 0.354 nan 8.210 nan 0.000 0.429 143 F N 4.529 124.483 119.950 0.007 0.000 2.350 143 F HA 0.252 4.779 4.527 -0.000 0.000 0.365 143 F C 1.281 176.987 175.800 -0.156 0.000 1.122 143 F CA -0.449 57.489 58.000 -0.103 0.000 1.139 143 F CB 0.837 39.764 39.000 -0.122 0.000 1.220 143 F HN 0.487 nan 8.300 nan 0.000 0.499 144 D N 2.394 122.763 120.400 -0.051 0.000 2.264 144 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 144 D C 0.947 177.103 176.300 -0.240 0.000 0.966 144 D CA 0.904 54.814 54.000 -0.150 0.000 0.864 144 D CB 0.362 41.040 40.800 -0.203 0.000 0.933 144 D HN 0.649 nan 8.370 nan 0.000 0.499 145 G N -0.699 107.884 108.800 -0.363 0.000 2.524 145 G HA2 0.409 4.369 3.960 -0.000 0.000 0.306 145 G HA3 0.409 4.369 3.960 -0.000 0.000 0.306 145 G C -1.579 172.872 174.900 -0.747 0.000 1.420 145 G CA -0.519 44.197 45.100 -0.641 0.000 1.086 145 G HN -0.057 nan 8.290 nan 0.000 0.591 146 V N 2.458 122.184 119.914 -0.313 0.000 2.524 146 V HA 0.560 4.680 4.120 -0.000 0.000 0.297 146 V C -0.760 175.386 176.094 0.086 0.000 1.035 146 V CA -1.128 61.036 62.300 -0.227 0.000 0.867 146 V CB 1.851 33.271 31.823 -0.672 0.000 1.004 146 V HN 0.783 nan 8.190 nan 0.000 0.426 147 N N 2.613 121.411 118.700 0.163 0.000 2.372 147 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 147 N C 0.666 176.125 175.510 -0.085 0.000 1.008 147 N CA 0.159 53.236 53.050 0.045 0.000 0.880 147 N CB 2.420 40.848 38.487 -0.099 0.000 1.239 147 N HN 0.599 nan 8.380 nan 0.000 0.484 148 S N 2.429 118.106 115.700 -0.039 0.000 2.502 148 S HA 0.495 4.965 4.470 -0.000 0.000 0.228 148 S C 0.549 175.216 174.600 0.111 0.000 1.061 148 S CA 0.338 58.568 58.200 0.050 0.000 0.935 148 S CB 0.049 63.294 63.200 0.076 0.000 0.809 148 S HN 0.694 nan 8.310 nan 0.000 0.510 149 A N 0.743 123.642 122.820 0.132 0.000 2.485 149 A HA 0.867 5.187 4.320 -0.000 0.000 0.292 149 A C -1.033 176.708 177.584 0.261 0.000 1.147 149 A CA -0.975 51.133 52.037 0.118 0.000 0.750 149 A CB 1.094 20.185 19.000 0.150 0.000 1.331 149 A HN 1.234 nan 8.150 nan 0.000 0.419 150 F N -1.125 118.733 119.950 -0.154 0.000 2.746 150 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 150 F C -1.466 174.373 175.800 0.065 0.000 1.135 150 F CA -0.814 57.184 58.000 -0.003 0.000 0.954 150 F CB 0.867 39.826 39.000 -0.069 0.000 1.276 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 1.901 121.143 119.070 0.287 0.000 2.533 151 H HA 0.812 5.368 4.556 -0.000 0.000 0.343 151 H C -1.402 174.009 175.328 0.139 0.000 1.160 151 H CA -0.682 55.484 56.048 0.197 0.000 1.218 151 H CB 2.352 32.285 29.762 0.286 0.000 1.566 151 H HN 0.831 nan 8.280 nan 0.000 0.522 152 L N 2.095 123.222 121.223 -0.160 0.000 2.431 152 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 152 L C -1.865 174.677 176.870 -0.546 0.000 0.978 152 L CA -0.522 54.220 54.840 -0.164 0.000 0.822 152 L CB 1.851 43.757 42.059 -0.256 0.000 1.310 152 L HN 0.508 nan 8.230 nan 0.000 0.409 153 W N 4.182 125.445 121.300 -0.061 0.000 2.936 153 W HA 0.632 5.292 4.660 -0.000 0.000 0.338 153 W C -1.234 175.212 176.519 -0.122 0.000 1.121 153 W CA -0.780 56.496 57.345 -0.116 0.000 1.209 153 W CB 2.103 31.525 29.460 -0.064 0.000 1.420 153 W HN 0.692 nan 8.180 nan 0.000 0.516 154 C N 4.975 124.344 119.300 0.114 0.000 2.446 154 C HA 0.318 4.778 4.460 -0.000 0.000 0.329 154 C C 0.092 175.179 174.990 0.162 0.000 1.166 154 C CA -0.387 58.679 59.018 0.081 0.000 1.341 154 C CB -0.415 27.292 27.740 -0.054 0.000 1.970 154 C HN 0.800 nan 8.230 nan 0.000 0.452 155 N N 3.725 122.488 118.700 0.105 0.000 2.725 155 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 155 N C 0.999 176.564 175.510 0.092 0.000 1.031 155 N CA 2.105 55.196 53.050 0.068 0.000 0.720 155 N CB -1.301 37.228 38.487 0.070 0.000 0.930 155 N HN 1.932 nan 8.380 nan 0.000 0.543 156 G N -1.326 107.515 108.800 0.068 0.000 2.234 156 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 156 G C 0.230 175.290 174.900 0.267 0.000 0.987 156 G CA 0.666 45.801 45.100 0.058 0.000 0.625 156 G HN 0.573 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.871 120.500 0.379 0.000 2.312 157 R HA 0.456 4.796 4.340 -0.000 0.000 0.311 157 R C -0.067 176.533 176.300 0.501 0.000 1.004 157 R CA -0.879 55.522 56.100 0.503 0.000 0.902 157 R CB 0.672 31.300 30.300 0.547 0.000 1.073 157 R HN 0.258 nan 8.270 nan 0.000 0.457 158 W N 3.994 125.447 121.300 0.255 0.000 2.251 158 W HA 0.093 4.753 4.660 -0.000 0.000 0.327 158 W C -0.137 176.208 176.519 -0.290 0.000 1.361 158 W CA 0.059 57.148 57.345 -0.426 0.000 1.234 158 W CB 0.627 29.882 29.460 -0.342 0.000 1.212 158 W HN 0.345 nan 8.180 nan 0.000 0.557 159 V N 4.952 123.816 119.914 -1.750 0.000 2.948 159 V HA 0.579 4.699 4.120 -0.000 0.000 0.234 159 V C 0.940 175.927 176.094 -1.845 0.000 1.205 159 V CA 0.794 62.208 62.300 -1.478 0.000 1.234 159 V CB -0.275 30.823 31.823 -1.208 0.000 1.020 159 V HN 0.778 nan 8.190 nan 0.000 0.491 160 G N -1.697 105.905 108.800 -1.996 0.000 2.554 160 G HA2 0.525 4.485 3.960 -0.000 0.000 0.306 160 G HA3 0.525 4.485 3.960 -0.000 0.000 0.306 160 G C -2.504 172.197 174.900 -0.331 0.000 1.320 160 G CA -0.328 44.139 45.100 -1.056 0.000 0.800 160 G HN -0.012 nan 8.290 nan 0.000 0.481 161 Y N -0.655 119.594 120.300 -0.085 0.000 2.588 161 Y HA 0.739 5.289 4.550 -0.000 0.000 0.343 161 Y C -0.043 175.726 175.900 -0.218 0.000 1.065 161 Y CA -0.258 57.680 58.100 -0.270 0.000 1.038 161 Y CB 2.333 40.729 38.460 -0.108 0.000 1.297 161 Y HN 1.192 nan 8.280 nan 0.000 0.467 162 G N 3.322 111.362 108.800 -1.265 0.000 2.742 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.296 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.296 162 G C -2.175 172.282 174.900 -0.738 0.000 1.436 162 G CA -0.905 43.729 45.100 -0.776 0.000 0.928 162 G HN 0.599 nan 8.290 nan 0.000 0.520 163 Q N -0.084 119.517 119.800 -0.332 0.000 2.496 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.286 163 Q C -1.358 174.638 176.000 -0.007 0.000 1.103 163 Q CA -0.842 54.880 55.803 -0.134 0.000 0.813 163 Q CB 2.781 31.482 28.738 -0.062 0.000 1.444 163 Q HN 0.654 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.359 120.400 0.057 0.000 4.150 164 D HA -0.097 4.543 4.640 -0.000 0.000 0.231 164 D C -0.206 176.157 176.300 0.104 0.000 1.129 164 D CA 0.672 54.723 54.000 0.085 0.000 1.005 164 D CB -0.700 40.138 40.800 0.062 0.000 0.691 164 D HN 0.575 nan 8.370 nan 0.000 0.320 165 S N 3.084 118.861 115.700 0.127 0.000 2.469 165 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 165 S C 1.601 176.324 174.600 0.205 0.000 0.998 165 S CA 0.713 59.017 58.200 0.172 0.000 0.957 165 S CB 0.128 63.417 63.200 0.149 0.000 0.764 165 S HN 0.568 nan 8.310 nan 0.000 0.514 166 R N 0.232 120.822 120.500 0.150 0.000 2.362 166 R HA 0.449 4.789 4.340 -0.000 0.000 0.227 166 R C 0.055 176.417 176.300 0.102 0.000 0.905 166 R CA 0.044 56.233 56.100 0.148 0.000 1.067 166 R CB -0.372 30.029 30.300 0.167 0.000 1.078 166 R HN 0.378 nan 8.270 nan 0.000 0.516 167 L N 1.274 122.535 121.223 0.063 0.000 2.301 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.264 167 L C -2.334 174.528 176.870 -0.014 0.000 1.016 167 L CA -2.438 52.411 54.840 0.016 0.000 0.821 167 L CB 1.962 44.022 42.059 0.003 0.000 1.346 167 L HN -0.232 nan 8.230 nan 0.000 0.429 168 P HA 0.134 nan 4.420 nan 0.000 0.269 168 P C -1.145 176.143 177.300 -0.021 0.000 1.215 168 P CA -0.223 62.848 63.100 -0.048 0.000 0.780 168 P CB 0.797 32.429 31.700 -0.113 0.000 0.898 169 S N 1.102 116.842 115.700 0.066 0.000 2.561 169 S HA 0.362 4.832 4.470 -0.000 0.000 0.303 169 S C -0.735 173.868 174.600 0.005 0.000 1.110 169 S CA -0.614 57.620 58.200 0.057 0.000 1.034 169 S CB 0.947 64.333 63.200 0.310 0.000 1.010 169 S HN 0.343 nan 8.310 nan 0.000 0.482 170 E N 1.904 121.928 120.200 -0.293 0.000 2.238 170 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 170 E C -1.505 174.797 176.600 -0.497 0.000 0.887 170 E CA -0.618 55.656 56.400 -0.210 0.000 0.769 170 E CB 1.689 31.355 29.700 -0.057 0.000 1.187 170 E HN 0.417 nan 8.360 nan 0.000 0.416 171 F N 0.334 120.302 119.950 0.029 0.000 2.578 171 F HA 0.239 4.766 4.527 -0.000 0.000 0.311 171 F C -0.186 175.616 175.800 0.004 0.000 1.094 171 F CA -1.201 56.801 58.000 0.003 0.000 0.923 171 F CB 1.357 40.334 39.000 -0.037 0.000 1.230 171 F HN 0.242 nan 8.300 nan 0.000 0.450 172 D N 2.427 122.963 120.400 0.226 0.000 2.336 172 D HA 0.263 4.903 4.640 -0.000 0.000 0.249 172 D C 0.463 176.888 176.300 0.208 0.000 1.213 172 D CA 0.284 54.388 54.000 0.172 0.000 0.870 172 D CB 1.005 41.894 40.800 0.149 0.000 1.076 172 D HN 0.585 nan 8.370 nan 0.000 0.483 173 L N 2.516 123.859 121.223 0.201 0.000 2.513 173 L HA -0.035 4.305 4.340 -0.000 0.000 0.222 173 L C 2.192 179.303 176.870 0.402 0.000 1.096 173 L CA -0.062 54.931 54.840 0.255 0.000 0.857 173 L CB -0.058 42.117 42.059 0.193 0.000 1.026 173 L HN 0.329 nan 8.230 nan 0.000 0.469 174 S N 1.182 117.048 115.700 0.277 0.000 2.429 174 S HA -0.354 4.116 4.470 -0.000 0.000 0.251 174 S C 1.870 176.578 174.600 0.181 0.000 1.104 174 S CA 2.055 60.380 58.200 0.208 0.000 1.130 174 S CB -0.281 63.000 63.200 0.135 0.000 1.000 174 S HN 0.586 nan 8.310 nan 0.000 0.449 175 A N -0.828 122.100 122.820 0.180 0.000 2.251 175 A HA 0.371 4.691 4.320 -0.000 0.000 0.209 175 A C 0.980 178.423 177.584 -0.235 0.000 1.187 175 A CA 0.236 52.219 52.037 -0.090 0.000 0.823 175 A CB -0.258 18.549 19.000 -0.322 0.000 0.846 175 A HN 0.487 nan 8.150 nan 0.000 0.486 176 F N -0.962 119.022 119.950 0.058 0.000 2.706 176 F HA 0.390 4.917 4.527 -0.000 0.000 0.313 176 F C 0.285 176.114 175.800 0.048 0.000 1.096 176 F CA -0.683 57.348 58.000 0.051 0.000 1.219 176 F CB -0.053 38.979 39.000 0.054 0.000 1.051 176 F HN -0.075 nan 8.300 nan 0.000 0.568 177 L N 1.909 123.280 121.223 0.248 0.000 2.350 177 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 177 L C 0.321 177.235 176.870 0.074 0.000 1.099 177 L CA -0.444 54.487 54.840 0.153 0.000 0.808 177 L CB 0.935 43.104 42.059 0.183 0.000 1.149 177 L HN -0.009 nan 8.230 nan 0.000 0.442 178 R N 1.588 122.096 120.500 0.014 0.000 2.787 178 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 178 R C -0.527 175.749 176.300 -0.040 0.000 0.993 178 R CA -0.934 55.156 56.100 -0.016 0.000 0.993 178 R CB 1.718 31.993 30.300 -0.042 0.000 1.155 178 R HN 0.693 nan 8.270 nan 0.000 0.486 179 A N 0.824 123.624 122.820 -0.034 0.000 2.407 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.248 179 A C 0.937 178.470 177.584 -0.084 0.000 1.082 179 A CA 0.774 52.782 52.037 -0.048 0.000 0.785 179 A CB -0.042 18.939 19.000 -0.031 0.000 1.020 179 A HN 0.893 nan 8.150 nan 0.000 0.489 180 G N 0.792 109.529 108.800 -0.105 0.000 2.536 180 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.277 180 G C 0.059 174.842 174.900 -0.196 0.000 1.155 180 G CA 0.353 45.377 45.100 -0.126 0.000 0.960 180 G HN 0.994 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.447 120.200 -0.187 0.000 2.257 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 181 E C -0.061 176.343 176.600 -0.327 0.000 1.049 181 E CA -0.049 56.201 56.400 -0.250 0.000 0.876 181 E CB 0.197 29.797 29.700 -0.167 0.000 1.035 181 E HN 0.424 nan 8.360 nan 0.000 0.419 182 N N 3.057 121.404 118.700 -0.588 0.000 2.321 182 N HA 0.413 5.153 4.740 -0.000 0.000 0.290 182 N C -0.844 174.346 175.510 -0.533 0.000 1.212 182 N CA -0.739 51.938 53.050 -0.622 0.000 0.767 182 N CB 2.383 40.384 38.487 -0.809 0.000 1.494 182 N HN 0.253 nan 8.380 nan 0.000 0.479 183 R N 1.432 121.814 120.500 -0.197 0.000 2.532 183 R HA 0.462 4.802 4.340 -0.000 0.000 0.297 183 R C -1.332 175.036 176.300 0.114 0.000 0.984 183 R CA -0.517 55.576 56.100 -0.012 0.000 0.884 183 R CB 1.301 31.560 30.300 -0.069 0.000 1.182 183 R HN 0.512 nan 8.270 nan 0.000 0.442 184 L N 2.905 124.253 121.223 0.208 0.000 2.309 184 L HA 0.656 4.996 4.340 -0.000 0.000 0.282 184 L C -0.203 176.758 176.870 0.151 0.000 1.036 184 L CA -0.764 54.200 54.840 0.207 0.000 0.806 184 L CB 1.878 44.078 42.059 0.235 0.000 1.220 184 L HN 0.690 nan 8.230 nan 0.000 0.429 185 A N 3.784 126.699 122.820 0.157 0.000 2.410 185 A HA 0.676 4.995 4.320 -0.000 0.000 0.289 185 A C -0.897 177.002 177.584 0.526 0.000 1.200 185 A CA -0.439 51.632 52.037 0.057 0.000 0.751 185 A CB 1.190 19.621 19.000 -0.947 0.000 1.161 185 A HN 0.377 nan 8.150 nan 0.000 0.459 186 V N 3.316 123.691 119.914 0.767 0.000 2.357 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 186 V C 0.121 176.691 176.094 0.794 0.000 1.018 186 V CA -0.321 62.405 62.300 0.710 0.000 0.841 186 V CB 1.250 33.292 31.823 0.364 0.000 0.991 186 V HN 0.946 nan 8.190 nan 0.000 0.437 187 M N 6.281 126.361 119.600 0.800 0.000 2.088 187 M HA 0.602 5.082 4.480 -0.000 0.000 0.346 187 M C -1.438 175.104 176.300 0.404 0.000 1.111 187 M CA -0.273 55.325 55.300 0.496 0.000 1.017 187 M CB 1.239 34.166 32.600 0.545 0.000 1.568 187 M HN 0.469 nan 8.290 nan 0.000 0.445 188 V N 6.721 126.807 119.914 0.288 0.000 2.472 188 V HA 0.529 4.649 4.120 -0.000 0.000 0.290 188 V C -0.184 176.048 176.094 0.229 0.000 1.037 188 V CA -0.769 61.694 62.300 0.272 0.000 0.908 188 V CB 1.631 33.618 31.823 0.274 0.000 0.985 188 V HN 0.836 nan 8.190 nan 0.000 0.454 189 L N 2.806 124.118 121.223 0.149 0.000 2.362 189 L HA 0.671 5.011 4.340 -0.000 0.000 0.271 189 L C 1.049 177.879 176.870 -0.067 0.000 1.002 189 L CA -0.809 54.047 54.840 0.026 0.000 0.818 189 L CB 1.777 43.747 42.059 -0.148 0.000 1.298 189 L HN 0.444 nan 8.230 nan 0.000 0.420 190 R N 1.557 121.913 120.500 -0.240 0.000 2.082 190 R HA 0.003 4.343 4.340 -0.000 0.000 0.228 190 R C -0.211 175.691 176.300 -0.663 0.000 1.140 190 R CA 1.772 57.428 56.100 -0.739 0.000 0.920 190 R CB 0.012 29.536 30.300 -1.294 0.000 0.828 190 R HN 0.628 nan 8.270 nan 0.000 0.430 191 W N 0.363 121.722 121.300 0.098 0.000 2.375 191 W HA 0.297 4.957 4.660 -0.000 0.000 0.336 191 W C 0.143 176.780 176.519 0.197 0.000 1.160 191 W CA -0.693 56.722 57.345 0.117 0.000 1.266 191 W CB 1.061 30.590 29.460 0.116 0.000 1.195 191 W HN 0.141 nan 8.180 nan 0.000 0.599 192 S N -1.171 114.822 115.700 0.489 0.000 2.636 192 S HA 0.161 4.631 4.470 -0.000 0.000 0.268 192 S C 0.018 174.879 174.600 0.435 0.000 1.159 192 S CA -0.489 58.007 58.200 0.492 0.000 0.815 192 S CB 1.130 64.580 63.200 0.416 0.000 1.130 192 S HN 0.631 nan 8.310 nan 0.000 0.471 193 D N 0.799 121.450 120.400 0.419 0.000 2.178 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 193 D C 1.898 178.489 176.300 0.485 0.000 0.980 193 D CA 1.306 55.582 54.000 0.460 0.000 0.842 193 D CB -0.837 40.118 40.800 0.258 0.000 0.948 193 D HN 0.733 nan 8.370 nan 0.000 0.472 194 G N 0.200 109.210 108.800 0.350 0.000 2.475 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 194 G C 1.741 176.818 174.900 0.294 0.000 1.125 194 G CA 1.050 46.328 45.100 0.296 0.000 0.755 194 G HN 0.338 nan 8.290 nan 0.000 0.565 195 S N 0.042 115.911 115.700 0.283 0.000 2.383 195 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 195 S C 1.970 176.683 174.600 0.188 0.000 1.030 195 S CA 1.136 59.473 58.200 0.227 0.000 1.002 195 S CB -0.487 62.851 63.200 0.230 0.000 0.829 195 S HN 0.549 nan 8.310 nan 0.000 0.467 196 Y N 1.260 121.658 120.300 0.163 0.000 2.384 196 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 196 Y C 1.611 177.604 175.900 0.155 0.000 1.152 196 Y CA 0.685 58.803 58.100 0.030 0.000 1.258 196 Y CB -0.287 38.092 38.460 -0.135 0.000 0.979 196 Y HN 0.199 nan 8.280 nan 0.000 0.549 197 L N -0.047 121.364 121.223 0.312 0.000 2.700 197 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 197 L C -0.071 176.937 176.870 0.229 0.000 1.156 197 L CA 0.368 55.349 54.840 0.235 0.000 0.946 197 L CB 0.002 42.195 42.059 0.224 0.000 1.216 197 L HN 0.194 nan 8.230 nan 0.000 0.493 198 E N -0.403 119.951 120.200 0.257 0.000 4.044 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.216 198 E C -0.469 176.247 176.600 0.193 0.000 1.104 198 E CA -0.091 56.444 56.400 0.224 0.000 1.383 198 E CB 0.511 30.337 29.700 0.209 0.000 1.195 198 E HN 0.004 nan 8.360 nan 0.000 0.442 199 D N 1.291 121.770 120.400 0.131 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.210 176.082 176.300 -0.013 0.000 1.192 199 D CA -0.044 53.923 54.000 -0.055 0.000 0.835 199 D CB 0.096 40.630 40.800 -0.444 0.000 0.975 199 D HN 0.078 nan 8.370 nan 0.000 0.490 200 Q N 0.563 120.443 119.800 0.133 0.000 2.349 200 Q HA 0.057 4.397 4.340 -0.000 0.000 0.287 200 Q C -0.115 175.978 176.000 0.155 0.000 1.044 200 Q CA 0.245 56.187 55.803 0.232 0.000 0.918 200 Q CB 0.515 29.531 28.738 0.463 0.000 1.242 200 Q HN 0.120 nan 8.270 nan 0.000 0.405 201 D N 3.428 123.932 120.400 0.174 0.000 2.441 201 D HA 0.207 4.847 4.640 -0.000 0.000 0.243 201 D C -0.665 175.753 176.300 0.197 0.000 1.257 201 D CA 0.058 54.120 54.000 0.103 0.000 1.027 201 D CB -0.319 40.522 40.800 0.068 0.000 1.084 201 D HN 0.470 nan 8.370 nan 0.000 0.514 202 M N 0.435 120.111 119.600 0.126 0.000 3.008 202 M HA 0.459 4.939 4.480 -0.000 0.000 0.271 202 M C -1.278 175.112 176.300 0.150 0.000 1.265 202 M CA -1.227 54.111 55.300 0.064 0.000 0.817 202 M CB 1.059 33.630 32.600 -0.050 0.000 1.638 202 M HN -0.035 nan 8.290 nan 0.000 0.479 203 W N 1.988 123.359 121.300 0.118 0.000 2.216 203 W HA 0.378 5.038 4.660 -0.000 0.000 0.326 203 W C 0.126 176.653 176.519 0.014 0.000 1.319 203 W CA -0.210 57.194 57.345 0.099 0.000 1.213 203 W CB 0.532 29.993 29.460 0.001 0.000 1.171 203 W HN 0.274 nan 8.180 nan 0.000 0.557 204 R N 4.968 125.650 120.500 0.303 0.000 2.196 204 R HA 0.424 4.764 4.340 -0.000 0.000 0.340 204 R C -0.131 176.203 176.300 0.056 0.000 1.043 204 R CA -0.185 56.018 56.100 0.172 0.000 0.883 204 R CB 0.247 30.694 30.300 0.245 0.000 1.078 204 R HN 0.581 nan 8.270 nan 0.000 0.462 205 M N 0.268 119.797 119.600 -0.119 0.000 2.708 205 M HA 0.525 5.005 4.480 -0.000 0.000 0.280 205 M C -0.242 175.753 176.300 -0.508 0.000 1.095 205 M CA -0.789 54.322 55.300 -0.315 0.000 0.822 205 M CB 2.185 34.585 32.600 -0.333 0.000 1.698 205 M HN 0.664 nan 8.290 nan 0.000 0.475 206 S N -1.305 113.969 115.700 -0.710 0.000 2.611 206 S HA 0.866 5.336 4.470 -0.000 0.000 0.270 206 S C -0.644 173.515 174.600 -0.736 0.000 1.131 206 S CA -0.306 57.395 58.200 -0.831 0.000 0.826 206 S CB 1.506 64.039 63.200 -1.111 0.000 1.095 206 S HN 1.470 nan 8.310 nan 0.000 0.461 207 G N 0.101 108.679 108.800 -0.370 0.000 2.316 207 G HA2 0.187 4.147 3.960 -0.000 0.000 0.349 207 G HA3 0.187 4.147 3.960 -0.000 0.000 0.349 207 G C -1.558 173.305 174.900 -0.063 0.000 1.274 207 G CA -0.574 44.528 45.100 0.003 0.000 1.018 207 G HN 1.202 nan 8.290 nan 0.000 0.486 208 I N 2.112 122.525 120.570 -0.263 0.000 2.316 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 208 I C 1.001 176.988 176.117 -0.217 0.000 1.107 208 I CA -0.309 60.741 61.300 -0.416 0.000 1.219 208 I CB -0.058 37.485 38.000 -0.762 0.000 1.455 208 I HN 0.505 nan 8.210 nan 0.000 0.498 209 F N 3.720 123.527 119.950 -0.238 0.000 2.727 209 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 209 F C 0.661 176.396 175.800 -0.108 0.000 1.097 209 F CA -0.518 57.381 58.000 -0.169 0.000 1.330 209 F CB 0.075 38.976 39.000 -0.166 0.000 1.084 209 F HN 0.132 nan 8.300 nan 0.000 0.578 210 R N 0.719 120.808 120.500 -0.685 0.000 2.867 210 R HA 0.225 4.565 4.340 -0.000 0.000 0.268 210 R C -0.889 175.262 176.300 -0.249 0.000 1.014 210 R CA -1.160 54.685 56.100 -0.425 0.000 0.946 210 R CB 1.062 31.048 30.300 -0.523 0.000 1.208 210 R HN 0.010 nan 8.270 nan 0.000 0.477 211 D N 0.669 120.995 120.400 -0.124 0.000 2.515 211 D HA 0.071 4.711 4.640 -0.000 0.000 0.230 211 D C -0.372 175.878 176.300 -0.083 0.000 1.181 211 D CA 0.535 54.491 54.000 -0.073 0.000 0.875 211 D CB 0.428 41.216 40.800 -0.020 0.000 1.213 211 D HN 0.011 nan 8.370 nan 0.000 0.478 212 V N 0.778 120.662 119.914 -0.050 0.000 2.588 212 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 212 V C -0.239 175.815 176.094 -0.067 0.000 1.042 212 V CA -0.587 61.667 62.300 -0.077 0.000 0.877 212 V CB 1.771 33.615 31.823 0.035 0.000 0.996 212 V HN 0.742 nan 8.190 nan 0.000 0.425 213 S N 4.421 120.032 115.700 -0.147 0.000 2.656 213 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 213 S C -1.231 173.327 174.600 -0.070 0.000 1.168 213 S CA -0.943 57.214 58.200 -0.073 0.000 0.817 213 S CB 1.962 65.145 63.200 -0.028 0.000 1.146 213 S HN 0.474 nan 8.310 nan 0.000 0.475 214 L N 1.322 122.565 121.223 0.034 0.000 2.386 214 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 214 L C -1.638 175.341 176.870 0.182 0.000 0.993 214 L CA -0.798 54.123 54.840 0.134 0.000 0.819 214 L CB 1.833 44.059 42.059 0.277 0.000 1.294 214 L HN 0.593 nan 8.230 nan 0.000 0.414 215 L N 2.469 123.755 121.223 0.105 0.000 2.381 215 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 215 L C -0.958 175.812 176.870 -0.167 0.000 0.988 215 L CA -0.254 54.583 54.840 -0.005 0.000 0.824 215 L CB 1.590 43.650 42.059 0.001 0.000 1.263 215 L HN 0.454 nan 8.230 nan 0.000 0.410 216 H N 4.176 122.922 119.070 -0.539 0.000 2.581 216 H HA 0.554 5.110 4.556 -0.000 0.000 0.308 216 H C -1.114 173.926 175.328 -0.480 0.000 1.040 216 H CA -0.129 55.428 56.048 -0.819 0.000 1.231 216 H CB 0.783 29.473 29.762 -1.787 0.000 1.396 216 H HN 0.576 nan 8.280 nan 0.000 0.467 217 K N 5.597 125.502 120.400 -0.824 0.000 2.375 217 K HA 0.389 4.709 4.320 -0.000 0.000 0.249 217 K C -2.723 173.516 176.600 -0.600 0.000 0.942 217 K CA -2.446 53.497 56.287 -0.574 0.000 0.806 217 K CB 1.836 34.107 32.500 -0.382 0.000 1.227 217 K HN 0.438 nan 8.250 nan 0.000 0.430 218 P HA -0.034 nan 4.420 nan 0.000 0.270 218 P C 0.337 177.499 177.300 -0.229 0.000 1.223 218 P CA -0.031 62.911 63.100 -0.264 0.000 0.785 218 P CB 0.442 32.039 31.700 -0.171 0.000 0.923 219 T N -1.990 112.465 114.554 -0.164 0.000 2.821 219 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 219 T C 0.693 175.312 174.700 -0.134 0.000 1.046 219 T CA 1.313 63.334 62.100 -0.132 0.000 1.139 219 T CB -0.838 67.979 68.868 -0.086 0.000 0.871 219 T HN 0.337 nan 8.240 nan 0.000 0.454 220 T N 3.313 117.786 114.554 -0.134 0.000 2.801 220 T HA 0.480 4.830 4.350 -0.000 0.000 0.306 220 T C -0.345 174.255 174.700 -0.167 0.000 1.020 220 T CA -0.804 61.205 62.100 -0.153 0.000 0.948 220 T CB 0.850 69.633 68.868 -0.142 0.000 0.962 220 T HN 0.614 nan 8.240 nan 0.000 0.465 221 Q N 2.588 122.274 119.800 -0.191 0.000 2.615 221 Q HA 0.590 4.930 4.340 -0.000 0.000 0.298 221 Q C -1.088 174.788 176.000 -0.207 0.000 1.023 221 Q CA -1.193 54.484 55.803 -0.210 0.000 0.768 221 Q CB 1.332 29.911 28.738 -0.265 0.000 1.500 221 Q HN 0.433 nan 8.270 nan 0.000 0.441 222 I N 2.746 123.171 120.570 -0.241 0.000 2.505 222 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 222 I C 0.985 176.902 176.117 -0.334 0.000 1.104 222 I CA 0.164 61.333 61.300 -0.219 0.000 1.387 222 I CB 0.970 38.813 38.000 -0.262 0.000 1.404 222 I HN 0.861 nan 8.210 nan 0.000 0.528 223 S N 3.140 118.756 115.700 -0.140 0.000 2.486 223 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 223 S C 0.232 174.938 174.600 0.176 0.000 1.011 223 S CA -0.096 58.054 58.200 -0.083 0.000 0.921 223 S CB 0.251 63.430 63.200 -0.036 0.000 0.785 223 S HN 0.756 nan 8.310 nan 0.000 0.517 224 D N -0.603 119.951 120.400 0.256 0.000 2.766 224 D HA 0.433 5.073 4.640 -0.000 0.000 0.244 224 D C -1.703 174.788 176.300 0.319 0.000 1.198 224 D CA -0.738 53.495 54.000 0.388 0.000 0.739 224 D CB 0.990 41.920 40.800 0.216 0.000 1.379 224 D HN 0.256 nan 8.370 nan 0.000 0.437 225 F N -0.337 119.619 119.950 0.011 0.000 2.678 225 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 225 F C -1.517 174.227 175.800 -0.094 0.000 1.118 225 F CA -0.801 57.099 58.000 -0.168 0.000 0.959 225 F CB 1.419 40.406 39.000 -0.021 0.000 1.305 225 F HN 0.317 nan 8.300 nan 0.000 0.443 226 H N 0.899 119.970 119.070 0.002 0.000 2.768 226 H HA 0.803 5.359 4.556 -0.000 0.000 0.371 226 H C -1.374 173.937 175.328 -0.029 0.000 1.151 226 H CA -1.533 54.442 56.048 -0.122 0.000 1.165 226 H CB 2.603 32.312 29.762 -0.089 0.000 1.722 226 H HN 0.620 nan 8.280 nan 0.000 0.543 227 V N 1.065 121.020 119.914 0.070 0.000 2.769 227 V HA 0.831 4.951 4.120 -0.000 0.000 0.312 227 V C -0.463 175.608 176.094 -0.038 0.000 1.061 227 V CA -0.643 61.664 62.300 0.013 0.000 0.931 227 V CB 1.624 33.432 31.823 -0.025 0.000 1.010 227 V HN 0.986 nan 8.190 nan 0.000 0.433 228 A N 2.128 124.906 122.820 -0.070 0.000 2.547 228 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 228 A C -0.438 177.057 177.584 -0.149 0.000 1.056 228 A CA -0.431 51.553 52.037 -0.089 0.000 0.688 228 A CB 2.056 21.027 19.000 -0.049 0.000 1.282 228 A HN 0.940 nan 8.150 nan 0.000 0.400 229 T N -0.133 114.322 114.554 -0.165 0.000 2.829 229 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 229 T C -0.365 174.148 174.700 -0.313 0.000 0.999 229 T CA -0.706 61.227 62.100 -0.278 0.000 0.983 229 T CB 1.589 70.254 68.868 -0.338 0.000 0.968 229 T HN 0.704 nan 8.240 nan 0.000 0.446 230 R N 1.386 121.585 120.500 -0.501 0.000 2.750 230 R HA 0.734 5.074 4.340 -0.000 0.000 0.281 230 R C -1.425 174.458 176.300 -0.696 0.000 0.972 230 R CA -0.761 55.108 56.100 -0.385 0.000 0.912 230 R CB 1.528 31.722 30.300 -0.176 0.000 1.187 230 R HN 0.609 nan 8.270 nan 0.000 0.464 231 F N 0.572 120.521 119.950 -0.001 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.517 176.207 175.800 -0.184 0.000 1.067 231 F CA -1.112 56.838 58.000 -0.084 0.000 0.969 231 F CB 0.854 39.741 39.000 -0.188 0.000 1.332 231 F HN 0.465 nan 8.300 nan 0.000 0.490 232 N N 0.188 118.892 118.700 0.008 0.000 2.463 232 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 232 N C 0.407 175.780 175.510 -0.227 0.000 1.205 232 N CA -0.160 52.843 53.050 -0.078 0.000 0.974 232 N CB 0.631 39.095 38.487 -0.038 0.000 1.197 232 N HN 0.730 nan 8.380 nan 0.000 0.504 233 D N -0.599 119.701 120.400 -0.167 0.000 2.254 233 D HA -0.272 4.368 4.640 -0.000 0.000 0.201 233 D C 0.373 176.535 176.300 -0.230 0.000 0.998 233 D CA 1.694 55.580 54.000 -0.189 0.000 0.885 233 D CB -0.362 40.394 40.800 -0.073 0.000 0.915 233 D HN 0.751 nan 8.370 nan 0.000 0.460 234 D N -1.949 118.357 120.400 -0.156 0.000 2.469 234 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 234 D C 0.255 176.674 176.300 0.198 0.000 1.154 234 D CA -0.819 53.203 54.000 0.036 0.000 0.832 234 D CB -1.045 39.805 40.800 0.083 0.000 1.008 234 D HN 0.216 nan 8.370 nan 0.000 0.506 235 F N 0.463 120.467 119.950 0.092 0.000 2.988 235 F HA -0.283 4.244 4.527 -0.000 0.000 0.287 235 F C 1.651 177.523 175.800 0.120 0.000 0.781 235 F CA 0.721 58.793 58.000 0.120 0.000 1.221 235 F CB -2.473 36.501 39.000 -0.044 0.000 1.392 235 F HN 0.202 nan 8.300 nan 0.000 0.425 236 S N -0.350 115.457 115.700 0.179 0.000 2.528 236 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 236 S C 0.646 175.300 174.600 0.090 0.000 0.985 236 S CA 0.063 58.337 58.200 0.123 0.000 0.914 236 S CB 0.386 63.632 63.200 0.077 0.000 0.776 236 S HN 0.349 nan 8.310 nan 0.000 0.526 237 R N 0.457 121.019 120.500 0.103 0.000 2.566 237 R HA 0.790 5.130 4.340 -0.000 0.000 0.271 237 R C -1.226 175.096 176.300 0.037 0.000 1.071 237 R CA -0.290 55.834 56.100 0.040 0.000 0.915 237 R CB 1.256 31.556 30.300 0.001 0.000 1.228 237 R HN 0.176 nan 8.270 nan 0.000 0.449 238 A N 1.336 124.118 122.820 -0.064 0.000 2.435 238 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 238 A C -1.057 176.433 177.584 -0.156 0.000 1.147 238 A CA -0.789 51.124 52.037 -0.206 0.000 0.775 238 A CB 2.157 21.013 19.000 -0.241 0.000 1.340 238 A HN 0.318 nan 8.150 nan 0.000 0.427 239 V N 1.328 121.123 119.914 -0.200 0.000 2.482 239 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 239 V C -1.079 174.960 176.094 -0.092 0.000 1.026 239 V CA -0.447 61.784 62.300 -0.115 0.000 0.856 239 V CB 1.345 33.102 31.823 -0.110 0.000 1.001 239 V HN 0.801 nan 8.190 nan 0.000 0.424 240 L N 5.318 126.524 121.223 -0.029 0.000 2.276 240 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 240 L C -0.027 176.807 176.870 -0.061 0.000 1.061 240 L CA 0.238 55.047 54.840 -0.052 0.000 0.807 240 L CB 1.038 43.091 42.059 -0.009 0.000 1.177 240 L HN 0.868 nan 8.230 nan 0.000 0.429 241 E N 4.841 124.999 120.200 -0.070 0.000 2.218 241 E HA 0.760 5.110 4.350 -0.000 0.000 0.263 241 E C -1.778 174.808 176.600 -0.024 0.000 0.879 241 E CA -0.817 55.555 56.400 -0.047 0.000 0.762 241 E CB 1.551 31.221 29.700 -0.050 0.000 1.166 241 E HN 0.832 nan 8.360 nan 0.000 0.415 242 A N 4.281 127.092 122.820 -0.014 0.000 2.343 242 A HA 0.472 4.792 4.320 -0.000 0.000 0.316 242 A C -0.890 176.686 177.584 -0.013 0.000 1.104 242 A CA -0.733 51.315 52.037 0.017 0.000 0.768 242 A CB 1.371 20.392 19.000 0.034 0.000 1.213 242 A HN 0.775 nan 8.150 nan 0.000 0.456 243 E N 2.213 122.403 120.200 -0.016 0.000 2.187 243 E HA 0.614 4.964 4.350 -0.000 0.000 0.268 243 E C -1.668 174.860 176.600 -0.120 0.000 0.896 243 E CA -0.528 55.819 56.400 -0.088 0.000 0.766 243 E CB 1.690 31.332 29.700 -0.096 0.000 1.142 243 E HN 0.382 nan 8.360 nan 0.000 0.408 244 V N 3.985 123.834 119.914 -0.108 0.000 2.604 244 V HA 0.356 4.476 4.120 -0.000 0.000 0.305 244 V C -0.573 175.528 176.094 0.011 0.000 1.043 244 V CA -0.827 61.442 62.300 -0.052 0.000 0.888 244 V CB 1.694 33.459 31.823 -0.097 0.000 0.995 244 V HN 0.748 nan 8.190 nan 0.000 0.429 245 Q N 4.171 124.013 119.800 0.069 0.000 2.365 245 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 245 Q C -0.829 175.257 176.000 0.142 0.000 1.061 245 Q CA -0.823 55.057 55.803 0.129 0.000 0.816 245 Q CB 2.819 31.570 28.738 0.022 0.000 1.325 245 Q HN 0.856 nan 8.270 nan 0.000 0.446 246 M N -0.879 118.783 119.600 0.103 0.000 2.662 246 M HA 0.776 5.256 4.480 -0.000 0.000 0.310 246 M C -1.313 174.895 176.300 -0.154 0.000 1.204 246 M CA -0.505 54.739 55.300 -0.094 0.000 0.891 246 M CB 2.115 34.482 32.600 -0.387 0.000 1.732 246 M HN 0.550 nan 8.290 nan 0.000 0.467 247 C N 1.511 120.709 119.300 -0.170 0.000 2.563 247 C HA 1.017 5.477 4.460 -0.000 0.000 0.314 247 C C 0.558 175.443 174.990 -0.175 0.000 1.199 247 C CA 0.943 59.873 59.018 -0.147 0.000 1.564 247 C CB 0.933 28.602 27.740 -0.117 0.000 2.173 247 C HN 1.305 nan 8.230 nan 0.000 0.485 248 G N 3.174 111.883 108.800 -0.151 0.000 2.265 248 G HA2 0.080 4.040 3.960 -0.000 0.000 0.246 248 G HA3 0.080 4.040 3.960 -0.000 0.000 0.246 248 G C -1.210 173.602 174.900 -0.148 0.000 1.299 248 G CA -0.482 44.530 45.100 -0.147 0.000 1.117 248 G HN 0.744 nan 8.290 nan 0.000 0.485 249 E N 0.441 120.553 120.200 -0.146 0.000 2.044 249 E HA 0.587 4.937 4.350 -0.000 0.000 0.282 249 E C 0.337 176.823 176.600 -0.190 0.000 1.031 249 E CA -0.401 55.920 56.400 -0.131 0.000 0.824 249 E CB 0.605 30.255 29.700 -0.084 0.000 1.076 249 E HN 0.524 nan 8.360 nan 0.000 0.395 250 L N 5.310 126.419 121.223 -0.190 0.000 2.410 250 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 250 L C -0.005 176.746 176.870 -0.198 0.000 1.144 250 L CA 0.113 54.809 54.840 -0.239 0.000 0.863 250 L CB 0.212 42.149 42.059 -0.204 0.000 1.140 250 L HN 0.487 nan 8.230 nan 0.000 0.463 251 R N 2.578 122.903 120.500 -0.291 0.000 2.626 251 R HA 0.141 4.481 4.340 -0.000 0.000 0.274 251 R C -0.068 176.039 176.300 -0.321 0.000 1.031 251 R CA -0.620 55.304 56.100 -0.294 0.000 0.898 251 R CB 1.666 31.607 30.300 -0.599 0.000 1.222 251 R HN 0.685 nan 8.270 nan 0.000 0.455 252 D N 1.386 121.732 120.400 -0.090 0.000 2.384 252 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 252 D C 0.861 177.180 176.300 0.031 0.000 0.976 252 D CA 1.166 55.163 54.000 -0.005 0.000 0.915 252 D CB 0.003 40.846 40.800 0.072 0.000 0.896 252 D HN 0.688 nan 8.370 nan 0.000 0.523 253 Y N -0.598 119.702 120.300 0.001 0.000 2.468 253 Y HA 0.392 4.942 4.550 -0.000 0.000 0.268 253 Y C 0.858 176.754 175.900 -0.006 0.000 1.177 253 Y CA -0.948 57.154 58.100 0.003 0.000 1.265 253 Y CB -0.278 38.185 38.460 0.006 0.000 1.103 253 Y HN -0.236 nan 8.280 nan 0.000 0.522 254 L N 2.931 123.945 121.223 -0.349 0.000 2.397 254 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 254 L C 0.190 176.996 176.870 -0.106 0.000 1.148 254 L CA -0.187 54.512 54.840 -0.235 0.000 0.825 254 L CB 0.624 42.542 42.059 -0.234 0.000 1.117 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 R N 2.037 122.381 120.500 -0.261 0.000 2.799 255 R HA 0.761 5.101 4.340 -0.000 0.000 0.270 255 R C -1.504 174.490 176.300 -0.511 0.000 1.010 255 R CA -0.840 55.026 56.100 -0.391 0.000 0.916 255 R CB 2.370 32.389 30.300 -0.468 0.000 1.228 255 R HN 0.288 nan 8.270 nan 0.000 0.469 256 V N 0.661 120.374 119.914 -0.335 0.000 2.760 256 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 256 V C -0.613 175.472 176.094 -0.016 0.000 1.077 256 V CA -0.627 61.554 62.300 -0.198 0.000 0.910 256 V CB 2.409 34.038 31.823 -0.322 0.000 1.008 256 V HN 0.783 nan 8.190 nan 0.000 0.424 257 T N 3.439 118.054 114.554 0.102 0.000 2.881 257 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 257 T C -0.851 173.861 174.700 0.019 0.000 1.000 257 T CA -0.491 61.662 62.100 0.089 0.000 0.978 257 T CB 1.863 70.820 68.868 0.147 0.000 0.997 257 T HN 0.370 nan 8.240 nan 0.000 0.443 258 V N 3.298 123.207 119.914 -0.009 0.000 2.531 258 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 258 V C -0.336 175.750 176.094 -0.013 0.000 1.034 258 V CA -0.838 61.453 62.300 -0.015 0.000 0.865 258 V CB 1.811 33.613 31.823 -0.034 0.000 0.995 258 V HN 1.065 nan 8.190 nan 0.000 0.424 259 S N 5.198 120.913 115.700 0.025 0.000 2.526 259 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 259 S C -1.071 173.532 174.600 0.004 0.000 1.092 259 S CA -0.747 57.431 58.200 -0.036 0.000 0.980 259 S CB 2.320 65.543 63.200 0.040 0.000 1.048 259 S HN 0.459 nan 8.310 nan 0.000 0.483 260 L N 2.225 123.338 121.223 -0.183 0.000 2.322 260 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 260 L C -1.808 174.938 176.870 -0.206 0.000 1.014 260 L CA -0.439 54.377 54.840 -0.040 0.000 0.815 260 L CB 0.734 42.784 42.059 -0.015 0.000 1.247 260 L HN 0.881 nan 8.230 nan 0.000 0.421 261 W N 3.084 124.484 121.300 0.166 0.000 2.819 261 W HA 0.559 5.219 4.660 -0.000 0.000 0.337 261 W C -0.554 176.097 176.519 0.220 0.000 1.077 261 W CA -0.585 56.851 57.345 0.153 0.000 1.226 261 W CB 1.573 31.075 29.460 0.070 0.000 1.419 261 W HN 0.420 nan 8.180 nan 0.000 0.502 262 Q N 2.422 122.463 119.800 0.402 0.000 2.721 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.257 262 Q C 0.733 176.816 176.000 0.139 0.000 1.070 262 Q CA 0.638 56.532 55.803 0.152 0.000 0.910 262 Q CB 0.318 29.109 28.738 0.088 0.000 1.163 262 Q HN 0.729 nan 8.270 nan 0.000 0.501 263 G N 2.329 111.204 108.800 0.125 0.000 2.675 263 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.312 263 G C 0.779 175.753 174.900 0.124 0.000 1.186 263 G CA 0.404 45.548 45.100 0.074 0.000 0.965 263 G HN 0.518 nan 8.290 nan 0.000 0.548 264 E N 1.376 121.650 120.200 0.123 0.000 2.230 264 E HA 0.194 4.544 4.350 -0.000 0.000 0.192 264 E C 1.504 178.312 176.600 0.345 0.000 0.987 264 E CA 1.031 57.520 56.400 0.149 0.000 0.841 264 E CB -0.307 29.444 29.700 0.084 0.000 0.783 264 E HN 0.492 nan 8.360 nan 0.000 0.481 265 T N 1.251 115.991 114.554 0.310 0.000 2.856 265 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 265 T C 0.044 174.862 174.700 0.197 0.000 0.980 265 T CA -0.365 61.888 62.100 0.256 0.000 1.091 265 T CB 1.448 70.382 68.868 0.111 0.000 0.936 265 T HN -0.061 nan 8.240 nan 0.000 0.503 266 Q N 2.758 122.402 119.800 -0.260 0.000 2.322 266 Q HA 0.286 4.625 4.340 -0.000 0.000 0.256 266 Q C 0.448 176.179 176.000 -0.449 0.000 0.960 266 Q CA -0.451 54.758 55.803 -0.990 0.000 0.934 266 Q CB 0.924 28.686 28.738 -1.627 0.000 1.200 266 Q HN 0.618 nan 8.270 nan 0.000 0.435 267 V N 1.849 121.558 119.914 -0.341 0.000 2.825 267 V HA 0.379 4.499 4.120 -0.000 0.000 0.246 267 V C 0.507 176.495 176.094 -0.176 0.000 1.068 267 V CA 0.813 63.021 62.300 -0.152 0.000 1.088 267 V CB -0.195 31.626 31.823 -0.004 0.000 0.733 267 V HN 0.718 nan 8.190 nan 0.000 0.468 268 A N -1.114 121.558 122.820 -0.246 0.000 2.594 268 A HA 0.744 5.064 4.320 -0.000 0.000 0.296 268 A C -0.808 176.652 177.584 -0.206 0.000 1.056 268 A CA -0.003 51.922 52.037 -0.187 0.000 0.693 268 A CB 1.664 20.591 19.000 -0.121 0.000 1.278 268 A HN 0.055 nan 8.150 nan 0.000 0.408 269 S N -0.951 114.658 115.700 -0.151 0.000 2.588 269 S HA 0.911 5.381 4.470 -0.000 0.000 0.275 269 S C -0.412 174.142 174.600 -0.077 0.000 1.130 269 S CA 0.128 58.257 58.200 -0.119 0.000 0.855 269 S CB 1.989 65.114 63.200 -0.125 0.000 1.116 269 S HN 2.264 nan 8.310 nan 0.000 0.472 270 G N 1.161 109.928 108.800 -0.055 0.000 2.759 270 G HA2 0.591 4.551 3.960 -0.000 0.000 0.297 270 G HA3 0.591 4.551 3.960 -0.000 0.000 0.297 270 G C -1.518 173.366 174.900 -0.028 0.000 1.434 270 G CA -0.361 44.713 45.100 -0.044 0.000 0.980 270 G HN 0.665 nan 8.290 nan 0.000 0.531 271 T N -0.135 114.407 114.554 -0.021 0.000 2.893 271 T HA 0.903 5.253 4.350 -0.000 0.000 0.293 271 T C -0.198 174.482 174.700 -0.034 0.000 1.027 271 T CA 0.146 62.246 62.100 -0.001 0.000 0.988 271 T CB 1.839 70.738 68.868 0.052 0.000 1.043 271 T HN 1.765 nan 8.240 nan 0.000 0.461 272 A N 3.146 125.923 122.820 -0.072 0.000 2.566 272 A HA 0.905 5.225 4.320 -0.000 0.000 0.290 272 A C -3.243 174.244 177.584 -0.161 0.000 1.071 272 A CA -1.385 50.591 52.037 -0.102 0.000 0.658 272 A CB 1.114 20.044 19.000 -0.117 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.427 273 P HA 0.670 nan 4.420 nan 0.000 0.289 273 P C -0.739 176.493 177.300 -0.114 0.000 1.293 273 P CA -0.490 62.562 63.100 -0.081 0.000 0.897 273 P CB 0.514 32.209 31.700 -0.009 0.000 1.166 274 F N 0.611 120.512 119.950 -0.083 0.000 2.535 274 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 274 F C 1.610 177.389 175.800 -0.035 0.000 1.208 274 F CA 1.812 59.775 58.000 -0.062 0.000 1.330 274 F CB -0.268 38.689 39.000 -0.072 0.000 1.167 274 F HN 0.625 nan 8.300 nan 0.000 0.597 275 G N 0.835 109.753 108.800 0.197 0.000 3.438 275 G HA2 0.380 4.340 3.960 -0.000 0.000 0.684 275 G HA3 0.380 4.340 3.960 -0.000 0.000 0.684 275 G C -0.471 174.469 174.900 0.067 0.000 1.192 275 G CA -0.782 44.390 45.100 0.119 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.655 109.512 108.800 0.094 0.000 2.537 276 G HA2 0.755 4.715 3.960 -0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 -0.000 0.000 0.297 276 G C 0.074 175.006 174.900 0.054 0.000 1.310 276 G CA -0.331 44.816 45.100 0.079 0.000 1.027 276 G HN 0.888 nan 8.290 nan 0.000 0.505 277 E N -0.850 119.379 120.200 0.048 0.000 2.345 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.259 277 E C -0.315 176.304 176.600 0.032 0.000 1.117 277 E CA -0.643 55.775 56.400 0.029 0.000 0.913 277 E CB 0.815 30.528 29.700 0.020 0.000 1.057 277 E HN 0.220 nan 8.360 nan 0.000 0.432 278 I N 1.613 122.191 120.570 0.013 0.000 2.710 278 I HA -0.055 4.115 4.170 -0.000 0.000 0.286 278 I C 1.037 177.159 176.117 0.009 0.000 1.181 278 I CA 0.684 61.984 61.300 0.001 0.000 1.430 278 I CB 0.189 38.185 38.000 -0.006 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 0.898 121.467 120.570 -0.003 0.000 4.244 279 I HA 0.426 4.596 4.170 -0.000 0.000 0.318 279 I C -0.177 175.939 176.117 -0.003 0.000 1.282 279 I CA 0.172 61.480 61.300 0.014 0.000 1.276 279 I CB 0.357 38.389 38.000 0.054 0.000 1.183 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.372 120.014 120.400 -0.024 0.000 2.946 280 D HA 0.189 4.829 4.640 -0.000 0.000 0.337 280 D C 0.371 176.655 176.300 -0.027 0.000 1.332 280 D CA -0.461 53.527 54.000 -0.021 0.000 0.935 280 D CB 0.341 41.129 40.800 -0.021 0.000 1.440 280 D HN -0.083 nan 8.370 nan 0.000 0.540 281 E N -0.871 119.315 120.200 -0.023 0.000 2.209 281 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 281 E C 1.522 178.103 176.600 -0.031 0.000 0.993 281 E CA 1.132 57.518 56.400 -0.023 0.000 0.819 281 E CB -0.051 29.639 29.700 -0.017 0.000 0.745 281 E HN 0.253 nan 8.360 nan 0.000 0.477 282 R N -0.413 120.060 120.500 -0.045 0.000 2.300 282 R HA 0.265 4.605 4.340 -0.000 0.000 0.199 282 R C 0.956 177.215 176.300 -0.069 0.000 0.920 282 R CA 0.727 56.793 56.100 -0.056 0.000 1.046 282 R CB 0.763 31.024 30.300 -0.066 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.376 108.382 108.800 -0.070 0.000 2.301 283 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.194 283 G C -0.394 174.448 174.900 -0.098 0.000 1.266 283 G CA -0.624 44.434 45.100 -0.070 0.000 1.210 283 G HN 0.426 nan 8.290 nan 0.000 0.524 284 G N -1.829 106.907 108.800 -0.106 0.000 3.251 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.248 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.248 284 G C -1.611 173.154 174.900 -0.226 0.000 1.320 284 G CA -0.746 44.283 45.100 -0.117 0.000 0.982 284 G HN 0.735 nan 8.290 nan 0.000 0.575 285 Y N 0.835 121.150 120.300 0.024 0.000 2.404 285 Y HA 0.460 5.010 4.550 -0.000 0.000 0.344 285 Y C 1.368 177.299 175.900 0.052 0.000 0.970 285 Y CA 0.025 58.145 58.100 0.035 0.000 1.180 285 Y CB 1.857 40.344 38.460 0.044 0.000 1.138 285 Y HN 0.535 nan 8.280 nan 0.000 0.510 286 A N 1.829 124.735 122.820 0.142 0.000 1.968 286 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 286 A C 1.323 179.005 177.584 0.162 0.000 1.169 286 A CA 1.466 53.570 52.037 0.111 0.000 0.638 286 A CB -0.241 18.781 19.000 0.036 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.599 119.901 120.400 0.168 0.000 2.460 287 D HA 0.168 4.808 4.640 -0.000 0.000 0.229 287 D C 0.388 176.902 176.300 0.358 0.000 1.170 287 D CA -0.073 53.989 54.000 0.104 0.000 0.827 287 D CB -0.084 40.718 40.800 0.003 0.000 0.973 287 D HN 0.399 nan 8.370 nan 0.000 0.496 288 R N -0.995 119.777 120.500 0.454 0.000 2.817 288 R HA 0.762 5.102 4.340 -0.000 0.000 0.268 288 R C -1.596 174.763 176.300 0.097 0.000 1.027 288 R CA -1.181 55.089 56.100 0.284 0.000 0.928 288 R CB 2.870 33.214 30.300 0.074 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.120 119.959 119.914 -0.125 0.000 3.077 289 V HA 0.501 4.621 4.120 -0.000 0.000 0.299 289 V C -1.677 174.312 176.094 -0.174 0.000 1.276 289 V CA -0.256 61.906 62.300 -0.230 0.000 0.993 289 V CB 2.754 34.268 31.823 -0.515 0.000 1.076 289 V HN 0.819 nan 8.190 nan 0.000 0.434 290 T N 6.921 121.402 114.554 -0.123 0.000 2.841 290 T HA 0.744 5.094 4.350 -0.000 0.000 0.285 290 T C -1.055 173.594 174.700 -0.084 0.000 0.991 290 T CA -0.270 61.777 62.100 -0.089 0.000 0.966 290 T CB 1.226 70.064 68.868 -0.051 0.000 0.962 290 T HN 0.482 nan 8.240 nan 0.000 0.438 291 L N 2.810 123.987 121.223 -0.077 0.000 2.330 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.383 177.221 176.870 -0.052 0.000 1.013 291 L CA -0.707 54.092 54.840 -0.068 0.000 0.816 291 L CB 1.304 43.319 42.059 -0.074 0.000 1.287 291 L HN 0.396 nan 8.230 nan 0.000 0.435 292 R N 2.733 123.202 120.500 -0.050 0.000 2.435 292 R HA 0.634 4.974 4.340 -0.000 0.000 0.308 292 R C -1.483 174.788 176.300 -0.048 0.000 0.975 292 R CA -0.598 55.473 56.100 -0.048 0.000 0.867 292 R CB 1.359 31.632 30.300 -0.046 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.470 293 L N 2.764 123.959 121.223 -0.047 0.000 2.317 293 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 293 L C 0.070 176.910 176.870 -0.050 0.000 1.024 293 L CA -0.914 53.897 54.840 -0.049 0.000 0.810 293 L CB 1.424 43.456 42.059 -0.046 0.000 1.240 293 L HN 0.471 nan 8.230 nan 0.000 0.427 294 N N 2.020 120.685 118.700 -0.059 0.000 2.473 294 N HA 0.481 5.221 4.740 -0.000 0.000 0.291 294 N C -0.986 174.474 175.510 -0.083 0.000 1.083 294 N CA -0.336 52.674 53.050 -0.066 0.000 0.951 294 N CB 2.897 41.349 38.487 -0.059 0.000 1.164 294 N HN 0.208 nan 8.380 nan 0.000 0.480 295 V N 1.862 121.711 119.914 -0.108 0.000 2.525 295 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 295 V C -0.150 175.862 176.094 -0.136 0.000 1.034 295 V CA -0.852 61.352 62.300 -0.159 0.000 0.863 295 V CB 2.153 33.791 31.823 -0.308 0.000 0.999 295 V HN 0.521 nan 8.190 nan 0.000 0.423 296 E N 3.621 123.764 120.200 -0.095 0.000 2.301 296 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 296 E C -0.017 176.553 176.600 -0.050 0.000 1.030 296 E CA -0.352 56.014 56.400 -0.056 0.000 0.852 296 E CB 0.724 30.403 29.700 -0.034 0.000 1.060 296 E HN 0.693 nan 8.360 nan 0.000 0.401 297 N N 1.313 120.004 118.700 -0.015 0.000 2.699 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.256 297 N C -2.353 173.150 175.510 -0.012 0.000 0.993 297 N CA 0.395 53.451 53.050 0.009 0.000 0.759 297 N CB -1.404 37.093 38.487 0.016 0.000 0.906 297 N HN 0.330 nan 8.380 nan 0.000 0.541 298 P HA 0.104 nan 4.420 nan 0.000 0.270 298 P C 0.110 177.415 177.300 0.008 0.000 1.223 298 P CA 0.228 63.209 63.100 -0.199 0.000 0.785 298 P CB 0.707 32.048 31.700 -0.598 0.000 0.923 299 K N 1.394 121.886 120.400 0.154 0.000 2.234 299 K HA 0.368 4.688 4.320 -0.000 0.000 0.277 299 K C -0.156 176.602 176.600 0.264 0.000 1.038 299 K CA -0.313 56.078 56.287 0.173 0.000 0.888 299 K CB 0.193 32.768 32.500 0.125 0.000 1.091 299 K HN 0.368 nan 8.250 nan 0.000 0.467 300 L N 2.711 124.010 121.223 0.126 0.000 2.395 300 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 300 L C -0.068 176.878 176.870 0.127 0.000 1.133 300 L CA -0.726 54.193 54.840 0.132 0.000 0.812 300 L CB 0.499 42.476 42.059 -0.138 0.000 1.125 300 L HN 0.619 nan 8.230 nan 0.000 0.452 301 W N 3.093 124.419 121.300 0.044 0.000 2.381 301 W HA 0.504 5.164 4.660 -0.000 0.000 0.329 301 W C -0.023 176.442 176.519 -0.089 0.000 1.157 301 W CA 0.104 57.457 57.345 0.013 0.000 1.240 301 W CB 1.388 30.904 29.460 0.095 0.000 1.199 301 W HN 0.628 nan 8.180 nan 0.000 0.579 302 S N 2.883 117.885 115.700 -1.163 0.000 2.595 302 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 302 S C 0.028 173.840 174.600 -1.312 0.000 1.145 302 S CA -0.343 57.290 58.200 -0.944 0.000 0.825 302 S CB 0.899 63.813 63.200 -0.477 0.000 1.107 302 S HN 1.146 nan 8.310 nan 0.000 0.461 303 A N 0.801 123.056 122.820 -0.943 0.000 2.019 303 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 303 A C 1.776 179.031 177.584 -0.547 0.000 1.164 303 A CA 1.685 53.151 52.037 -0.952 0.000 0.644 303 A CB -1.028 17.227 19.000 -1.242 0.000 0.805 303 A HN 0.892 nan 8.150 nan 0.000 0.449 304 E N -0.866 119.146 120.200 -0.312 0.000 2.072 304 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 304 E C -0.218 176.223 176.600 -0.265 0.000 0.985 304 E CA 0.825 57.099 56.400 -0.210 0.000 0.801 304 E CB -0.029 29.680 29.700 0.015 0.000 0.750 304 E HN 0.620 nan 8.360 nan 0.000 0.452 305 I N 0.914 121.276 120.570 -0.346 0.000 2.576 305 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 305 I C -2.615 173.221 176.117 -0.469 0.000 1.114 305 I CA -1.887 59.230 61.300 -0.305 0.000 1.076 305 I CB 2.250 40.128 38.000 -0.203 0.000 1.212 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.076 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.776 177.300 -0.047 0.000 1.756 306 P CA -0.139 62.618 63.100 -0.571 0.000 0.990 306 P CB -0.371 31.225 31.700 -0.174 0.000 1.973 307 N N 1.575 120.264 118.700 -0.018 0.000 2.447 307 N HA 0.105 4.845 4.740 -0.000 0.000 0.263 307 N C 0.104 175.816 175.510 0.336 0.000 1.226 307 N CA 0.440 53.559 53.050 0.116 0.000 0.906 307 N CB 0.746 39.288 38.487 0.092 0.000 1.060 307 N HN 0.256 nan 8.380 nan 0.000 0.468 308 L N 2.196 123.530 121.223 0.185 0.000 2.323 308 L HA 0.527 4.867 4.340 -0.000 0.000 0.265 308 L C -0.844 176.085 176.870 0.099 0.000 1.012 308 L CA -0.872 54.111 54.840 0.240 0.000 0.820 308 L CB 1.212 43.388 42.059 0.193 0.000 1.334 308 L HN 0.408 nan 8.230 nan 0.000 0.427 309 Y N -0.157 120.270 120.300 0.212 0.000 2.605 309 Y HA 0.579 5.129 4.550 -0.000 0.000 0.343 309 Y C -0.361 175.643 175.900 0.175 0.000 1.036 309 Y CA -0.800 57.433 58.100 0.221 0.000 1.065 309 Y CB 2.111 40.757 38.460 0.310 0.000 1.288 309 Y HN 0.377 nan 8.280 nan 0.000 0.481 310 R N 1.135 121.868 120.500 0.387 0.000 2.562 310 R HA 0.876 5.216 4.340 -0.000 0.000 0.298 310 R C -1.535 174.955 176.300 0.316 0.000 0.961 310 R CA -0.679 55.581 56.100 0.266 0.000 0.881 310 R CB 1.206 31.584 30.300 0.129 0.000 1.159 310 R HN 0.799 nan 8.270 nan 0.000 0.450 311 A N 3.542 126.491 122.820 0.214 0.000 2.355 311 A HA 0.617 4.937 4.320 -0.000 0.000 0.317 311 A C -1.199 176.457 177.584 0.120 0.000 1.094 311 A CA -0.655 51.499 52.037 0.196 0.000 0.764 311 A CB 1.601 20.694 19.000 0.156 0.000 1.230 311 A HN 0.447 nan 8.150 nan 0.000 0.448 312 V N 2.021 122.011 119.914 0.126 0.000 2.487 312 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 312 V C -0.438 175.642 176.094 -0.024 0.000 1.028 312 V CA -0.692 61.624 62.300 0.027 0.000 0.860 312 V CB 1.443 33.291 31.823 0.041 0.000 0.991 312 V HN 0.597 nan 8.190 nan 0.000 0.427 313 V N 4.807 124.644 119.914 -0.128 0.000 2.313 313 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 313 V C -0.030 176.008 176.094 -0.092 0.000 1.017 313 V CA -0.483 61.713 62.300 -0.174 0.000 0.823 313 V CB 1.006 32.572 31.823 -0.428 0.000 1.010 313 V HN 1.039 nan 8.190 nan 0.000 0.443 314 E N 5.047 125.243 120.200 -0.006 0.000 2.165 314 E HA 0.565 4.915 4.350 -0.000 0.000 0.266 314 E C -1.067 175.637 176.600 0.173 0.000 0.889 314 E CA -1.056 55.392 56.400 0.079 0.000 0.756 314 E CB 2.712 32.467 29.700 0.091 0.000 1.131 314 E HN 0.405 nan 8.360 nan 0.000 0.411 315 L N 5.446 126.735 121.223 0.110 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.695 176.242 176.870 0.112 0.000 1.046 315 L CA 0.057 54.931 54.840 0.056 0.000 0.816 315 L CB -0.232 41.832 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.169 120.256 119.070 0.028 0.000 0.000 316 H HA 0.611 5.167 4.556 -0.000 0.000 0.000 316 H C -0.911 174.452 175.328 0.059 0.000 0.000 316 H CA -0.328 55.743 56.048 0.038 0.000 0.000 316 H CB 0.887 30.669 29.762 0.034 0.000 0.000 316 H HN 0.462 nan 8.280 nan 0.000 0.000 317 T N -2.857 111.825 114.554 0.213 0.000 2.881 317 T HA 0.534 4.884 4.350 -0.000 0.000 0.278 317 T C 1.464 176.335 174.700 0.284 0.000 0.982 317 T CA -0.172 62.061 62.100 0.221 0.000 0.989 317 T CB 1.387 70.447 68.868 0.319 0.000 1.058 317 T HN 0.777 nan 8.240 nan 0.000 0.529 318 A N 1.036 123.997 122.820 0.235 0.000 1.940 318 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 318 A C 1.856 179.539 177.584 0.166 0.000 1.176 318 A CA 2.095 54.246 52.037 0.191 0.000 0.631 318 A CB -1.426 17.670 19.000 0.159 0.000 0.814 318 A HN 1.046 nan 8.150 nan 0.000 0.446 319 D N -2.457 118.028 120.400 0.141 0.000 2.182 319 D HA 0.206 4.846 4.640 -0.000 0.000 0.201 319 D C 1.263 177.615 176.300 0.086 0.000 0.986 319 D CA 1.487 55.539 54.000 0.088 0.000 0.847 319 D CB -0.261 40.572 40.800 0.054 0.000 0.942 319 D HN 0.806 nan 8.370 nan 0.000 0.467 320 G N -1.478 107.401 108.800 0.132 0.000 2.227 320 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.168 320 G C 0.194 175.130 174.900 0.060 0.000 1.006 320 G CA -0.024 45.115 45.100 0.065 0.000 0.684 320 G HN 0.347 nan 8.290 nan 0.000 0.489 321 T N 1.915 116.538 114.554 0.115 0.000 2.814 321 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 321 T C 0.246 175.033 174.700 0.144 0.000 0.956 321 T CA 0.007 62.168 62.100 0.102 0.000 1.123 321 T CB 1.567 70.492 68.868 0.094 0.000 0.902 321 T HN 0.604 nan 8.240 nan 0.000 0.528 322 L N 4.978 126.261 121.223 0.099 0.000 2.331 322 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 322 L C 0.583 177.512 176.870 0.097 0.000 1.106 322 L CA 0.130 55.041 54.840 0.118 0.000 0.824 322 L CB 0.325 42.423 42.059 0.065 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 3.121 123.749 120.570 0.096 0.000 2.494 323 I HA 0.158 4.328 4.170 -0.000 0.000 0.250 323 I C 0.624 176.753 176.117 0.021 0.000 1.112 323 I CA 0.929 62.255 61.300 0.044 0.000 1.438 323 I CB -0.300 37.708 38.000 0.013 0.000 1.111 323 I HN 0.869 nan 8.210 nan 0.000 0.431 324 E N -0.730 119.488 120.200 0.030 0.000 2.411 324 E HA 0.682 5.032 4.350 -0.000 0.000 0.279 324 E C -1.622 175.003 176.600 0.043 0.000 1.132 324 E CA -1.038 55.377 56.400 0.024 0.000 0.876 324 E CB 0.949 30.625 29.700 -0.040 0.000 1.335 324 E HN -0.071 nan 8.360 nan 0.000 0.436 325 A N 0.917 123.791 122.820 0.090 0.000 2.539 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 325 A C -1.272 176.439 177.584 0.212 0.000 1.073 325 A CA -0.695 51.402 52.037 0.100 0.000 0.700 325 A CB 1.971 21.018 19.000 0.078 0.000 1.296 325 A HN 0.495 nan 8.150 nan 0.000 0.405 326 E N -0.533 119.722 120.200 0.091 0.000 2.393 326 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 326 E C -0.624 175.992 176.600 0.026 0.000 0.918 326 E CA -0.473 56.039 56.400 0.186 0.000 0.773 326 E CB 2.487 32.225 29.700 0.065 0.000 1.275 326 E HN 1.190 nan 8.360 nan 0.000 0.451 327 A N 0.176 123.126 122.820 0.217 0.000 2.588 327 A HA 0.862 5.182 4.320 -0.000 0.000 0.290 327 A C -1.158 176.605 177.584 0.299 0.000 1.136 327 A CA -0.324 51.776 52.037 0.105 0.000 0.681 327 A CB 1.110 20.041 19.000 -0.116 0.000 1.282 327 A HN 0.949 nan 8.150 nan 0.000 0.421 328 C N -0.785 118.649 119.300 0.223 0.000 3.303 328 C HA 0.689 5.149 4.460 -0.000 0.000 0.340 328 C C -1.630 173.442 174.990 0.136 0.000 1.274 328 C CA -0.999 58.142 59.018 0.204 0.000 1.234 328 C CB 0.799 28.676 27.740 0.228 0.000 1.532 328 C HN 0.846 nan 8.230 nan 0.000 0.483 329 D N 0.972 121.429 120.400 0.096 0.000 2.302 329 D HA 0.542 5.182 4.640 -0.000 0.000 0.248 329 D C -0.474 175.860 176.300 0.057 0.000 1.094 329 D CA 0.138 54.196 54.000 0.096 0.000 0.897 329 D CB 2.112 42.969 40.800 0.095 0.000 1.200 329 D HN 0.521 nan 8.370 nan 0.000 0.429 330 V N 0.754 120.731 119.914 0.105 0.000 2.656 330 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 330 V C 0.381 176.522 176.094 0.078 0.000 1.051 330 V CA -0.698 61.612 62.300 0.016 0.000 0.893 330 V CB 2.183 33.999 31.823 -0.013 0.000 0.999 330 V HN 0.667 nan 8.190 nan 0.000 0.426 331 G N 2.766 111.501 108.800 -0.108 0.000 2.609 331 G HA2 0.639 4.599 3.960 -0.000 0.000 0.308 331 G HA3 0.639 4.599 3.960 -0.000 0.000 0.308 331 G C -1.258 173.632 174.900 -0.017 0.000 1.369 331 G CA -0.406 44.705 45.100 0.019 0.000 0.958 331 G HN 0.404 nan 8.290 nan 0.000 0.499 332 F N 2.276 122.409 119.950 0.305 0.000 2.413 332 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 332 F C 0.940 176.966 175.800 0.376 0.000 1.122 332 F CA -0.255 57.975 58.000 0.383 0.000 1.160 332 F CB 1.097 40.347 39.000 0.417 0.000 1.146 332 F HN 0.534 nan 8.300 nan 0.000 0.514 333 R N 1.235 122.023 120.500 0.480 0.000 2.664 333 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 333 R C -1.722 174.720 176.300 0.236 0.000 1.046 333 R CA -1.113 55.120 56.100 0.221 0.000 0.885 333 R CB 1.536 31.987 30.300 0.251 0.000 1.254 333 R HN 0.467 nan 8.270 nan 0.000 0.465 334 E N 2.020 122.263 120.200 0.072 0.000 2.199 334 E HA 0.462 4.812 4.350 -0.000 0.000 0.265 334 E C -1.353 175.309 176.600 0.103 0.000 0.882 334 E CA -0.986 55.518 56.400 0.172 0.000 0.759 334 E CB 2.118 31.969 29.700 0.252 0.000 1.148 334 E HN 0.419 nan 8.360 nan 0.000 0.412 335 V N 5.530 125.503 119.914 0.099 0.000 2.384 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.287 335 V C -0.212 175.918 176.094 0.060 0.000 1.020 335 V CA -0.530 61.803 62.300 0.054 0.000 0.850 335 V CB 1.126 32.961 31.823 0.021 0.000 0.987 335 V HN 0.749 nan 8.190 nan 0.000 0.436 336 R N 4.421 124.953 120.500 0.052 0.000 2.680 336 R HA 0.691 5.031 4.340 -0.000 0.000 0.269 336 R C -2.007 174.316 176.300 0.038 0.000 1.026 336 R CA -0.869 55.263 56.100 0.054 0.000 0.889 336 R CB 1.715 32.059 30.300 0.073 0.000 1.241 336 R HN 0.509 nan 8.270 nan 0.000 0.463 337 I N 1.965 122.557 120.570 0.037 0.000 2.312 337 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 337 I C -0.512 175.624 176.117 0.031 0.000 1.008 337 I CA -0.279 61.038 61.300 0.028 0.000 1.226 337 I CB 1.617 39.635 38.000 0.030 0.000 1.371 337 I HN 0.704 nan 8.210 nan 0.000 0.468 338 E N 6.435 126.650 120.200 0.025 0.000 2.263 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.248 176.363 176.600 0.018 0.000 0.884 338 E CA -0.639 55.777 56.400 0.027 0.000 0.766 338 E CB 1.078 30.798 29.700 0.034 0.000 1.196 338 E HN 0.528 nan 8.360 nan 0.000 0.416 339 N N 3.367 122.078 118.700 0.018 0.000 2.727 339 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 339 N C 0.470 175.984 175.510 0.008 0.000 1.048 339 N CA 2.091 55.148 53.050 0.013 0.000 0.714 339 N CB -1.227 37.267 38.487 0.012 0.000 0.959 339 N HN 1.023 nan 8.380 nan 0.000 0.544 340 G N -2.203 106.601 108.800 0.007 0.000 2.176 340 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 340 G C -0.072 174.822 174.900 -0.009 0.000 0.979 340 G CA 0.512 45.612 45.100 0.000 0.000 0.641 340 G HN 0.491 nan 8.290 nan 0.000 0.530 341 L N -0.017 121.202 121.223 -0.007 0.000 2.362 341 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 341 L C -0.050 176.811 176.870 -0.016 0.000 1.002 341 L CA -1.351 53.478 54.840 -0.018 0.000 0.818 341 L CB 1.903 43.950 42.059 -0.019 0.000 1.298 341 L HN 0.089 nan 8.230 nan 0.000 0.420 342 L N 3.988 125.190 121.223 -0.035 0.000 2.278 342 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 342 L C -0.914 175.933 176.870 -0.038 0.000 1.072 342 L CA 0.325 55.144 54.840 -0.035 0.000 0.819 342 L CB 0.477 42.502 42.059 -0.056 0.000 1.176 342 L HN 0.390 nan 8.230 nan 0.000 0.435 343 L N 5.943 127.159 121.223 -0.012 0.000 2.342 343 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 343 L C -0.807 176.069 176.870 0.010 0.000 1.008 343 L CA -0.759 54.083 54.840 0.003 0.000 0.818 343 L CB 1.989 44.071 42.059 0.038 0.000 1.296 343 L HN 0.575 nan 8.230 nan 0.000 0.427 344 L N 3.321 124.559 121.223 0.024 0.000 2.372 344 L HA 0.482 4.822 4.340 -0.000 0.000 0.274 344 L C -0.417 176.495 176.870 0.069 0.000 0.988 344 L CA -0.258 54.609 54.840 0.045 0.000 0.833 344 L CB 0.973 43.049 42.059 0.028 0.000 1.236 344 L HN 0.659 nan 8.230 nan 0.000 0.410 345 N N 4.110 122.759 118.700 -0.086 0.000 2.727 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 345 N C 0.817 176.124 175.510 -0.337 0.000 1.048 345 N CA 1.403 54.167 53.050 -0.477 0.000 0.714 345 N CB -1.071 37.012 38.487 -0.672 0.000 0.959 345 N HN 1.153 nan 8.380 nan 0.000 0.544 346 G N -2.154 106.669 108.800 0.038 0.000 2.284 346 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.230 346 G C 0.019 174.970 174.900 0.084 0.000 1.021 346 G CA 0.672 45.860 45.100 0.146 0.000 0.619 346 G HN 0.479 nan 8.290 nan 0.000 0.510 347 K N 1.233 121.673 120.400 0.066 0.000 2.139 347 K HA 0.597 4.917 4.320 -0.000 0.000 0.243 347 K C -3.040 173.546 176.600 -0.023 0.000 0.983 347 K CA -2.010 54.271 56.287 -0.011 0.000 0.890 347 K CB 2.211 34.630 32.500 -0.136 0.000 1.090 347 K HN 0.119 nan 8.250 nan 0.000 0.445 348 P HA 0.313 nan 4.420 nan 0.000 0.297 348 P C -0.238 177.004 177.300 -0.097 0.000 1.331 348 P CA -0.376 62.684 63.100 -0.067 0.000 0.803 348 P CB 0.685 32.347 31.700 -0.063 0.000 0.929 349 L N 3.409 124.569 121.223 -0.106 0.000 2.466 349 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 349 L C 0.468 177.258 176.870 -0.132 0.000 1.189 349 L CA -0.615 54.149 54.840 -0.126 0.000 0.813 349 L CB 0.427 42.376 42.059 -0.183 0.000 1.118 349 L HN 0.235 nan 8.230 nan 0.000 0.471 350 L N 3.118 124.277 121.223 -0.108 0.000 2.485 350 L HA 0.398 4.738 4.340 -0.000 0.000 0.260 350 L C -0.605 176.211 176.870 -0.090 0.000 0.998 350 L CA -0.269 54.494 54.840 -0.128 0.000 0.883 350 L CB 0.866 42.881 42.059 -0.074 0.000 1.196 350 L HN 0.213 nan 8.230 nan 0.000 0.443 351 I N 4.316 124.767 120.570 -0.199 0.000 2.505 351 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 351 I C 0.646 176.693 176.117 -0.115 0.000 1.104 351 I CA 0.314 61.500 61.300 -0.190 0.000 1.387 351 I CB 0.287 38.049 38.000 -0.397 0.000 1.404 351 I HN 0.532 nan 8.210 nan 0.000 0.528 352 R N 4.789 125.302 120.500 0.022 0.000 2.937 352 R HA 0.466 4.806 4.340 -0.000 0.000 0.264 352 R C 0.535 176.913 176.300 0.129 0.000 1.334 352 R CA -0.265 55.882 56.100 0.078 0.000 1.516 352 R CB 0.817 31.032 30.300 -0.142 0.000 1.187 352 R HN 0.782 nan 8.270 nan 0.000 0.609 353 G N 0.018 108.843 108.800 0.042 0.000 2.552 353 G HA2 0.629 4.588 3.960 -0.000 0.000 0.324 353 G HA3 0.629 4.588 3.960 -0.000 0.000 0.324 353 G C -1.279 173.925 174.900 0.507 0.000 1.217 353 G CA -0.509 44.644 45.100 0.087 0.000 0.989 353 G HN 0.228 nan 8.290 nan 0.000 0.490 354 V N -0.239 120.011 119.914 0.560 0.000 3.048 354 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 354 V C -1.313 174.940 176.094 0.265 0.000 1.214 354 V CA -1.193 61.319 62.300 0.352 0.000 0.984 354 V CB 2.290 34.070 31.823 -0.071 0.000 1.054 354 V HN 0.774 nan 8.190 nan 0.000 0.430 355 N N 3.880 122.641 118.700 0.101 0.000 2.498 355 N HA 0.552 5.292 4.740 -0.000 0.000 0.287 355 N C -0.830 174.492 175.510 -0.313 0.000 1.097 355 N CA -0.438 52.538 53.050 -0.123 0.000 0.973 355 N CB 1.798 40.221 38.487 -0.108 0.000 1.153 355 N HN 0.686 nan 8.380 nan 0.000 0.472 356 R N 1.590 121.864 120.500 -0.377 0.000 2.522 356 R HA 0.246 4.586 4.340 -0.000 0.000 0.283 356 R C -1.196 174.867 176.300 -0.395 0.000 1.074 356 R CA -0.553 55.346 56.100 -0.335 0.000 0.925 356 R CB 1.019 31.129 30.300 -0.318 0.000 1.205 356 R HN 0.579 nan 8.270 nan 0.000 0.436 357 H N 2.003 120.944 119.070 -0.215 0.000 2.495 357 H HA 0.185 4.741 4.556 -0.000 0.000 0.350 357 H C -0.532 174.796 175.328 0.000 0.000 1.202 357 H CA -0.216 55.788 56.048 -0.074 0.000 1.322 357 H CB 1.644 31.414 29.762 0.014 0.000 1.544 357 H HN 0.567 nan 8.280 nan 0.000 0.565 358 E N 1.635 122.030 120.200 0.324 0.000 1.963 358 E HA 0.111 4.461 4.350 -0.000 0.000 0.274 358 E C -0.771 175.966 176.600 0.228 0.000 1.061 358 E CA -0.033 56.470 56.400 0.171 0.000 0.847 358 E CB 0.221 30.021 29.700 0.166 0.000 1.083 358 E HN 0.390 nan 8.360 nan 0.000 0.402 359 H N 1.560 120.679 119.070 0.082 0.000 2.947 359 H HA 0.235 4.791 4.556 -0.000 0.000 0.354 359 H C -1.660 173.704 175.328 0.060 0.000 1.085 359 H CA -0.694 55.396 56.048 0.069 0.000 1.253 359 H CB 1.081 30.878 29.762 0.058 0.000 1.757 359 H HN 0.366 nan 8.280 nan 0.000 0.523 360 H N 6.507 125.203 119.070 -0.623 0.000 2.744 360 H HA 0.202 4.758 4.556 -0.000 0.000 0.339 360 H C -2.223 172.661 175.328 -0.741 0.000 1.004 360 H CA -2.453 53.288 56.048 -0.511 0.000 1.257 360 H CB 2.491 32.088 29.762 -0.276 0.000 1.552 360 H HN 0.563 nan 8.280 nan 0.000 0.522 361 P HA -0.136 nan 4.420 nan 0.000 0.218 361 P C 1.207 178.378 177.300 -0.215 0.000 1.146 361 P CA 1.013 63.894 63.100 -0.365 0.000 0.813 361 P CB 0.749 32.264 31.700 -0.309 0.000 0.778 362 L N -2.129 119.105 121.223 0.018 0.000 2.349 362 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 362 L C 2.463 179.271 176.870 -0.103 0.000 1.064 362 L CA 0.614 55.414 54.840 -0.065 0.000 0.821 362 L CB -0.756 41.157 42.059 -0.243 0.000 1.027 362 L HN -0.008 nan 8.230 nan 0.000 0.476 363 H N -0.310 118.729 119.070 -0.052 0.000 2.551 363 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 363 H C 1.461 176.671 175.328 -0.197 0.000 0.977 363 H CA 0.132 56.033 56.048 -0.246 0.000 1.163 363 H CB 0.305 29.798 29.762 -0.448 0.000 1.381 363 H HN 0.447 nan 8.280 nan 0.000 0.581 364 G N 1.437 110.157 108.800 -0.133 0.000 2.523 364 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.271 364 G C 0.498 175.311 174.900 -0.144 0.000 1.146 364 G CA 0.243 45.209 45.100 -0.223 0.000 0.961 364 G HN 0.453 nan 8.290 nan 0.000 0.549 365 Q N 0.118 119.843 119.800 -0.125 0.000 2.247 365 Q HA 0.447 4.787 4.340 -0.000 0.000 0.205 365 Q C 0.294 176.329 176.000 0.058 0.000 0.896 365 Q CA -0.046 55.712 55.803 -0.075 0.000 0.950 365 Q CB 0.766 29.353 28.738 -0.252 0.000 1.054 365 Q HN 0.384 nan 8.270 nan 0.000 0.482 366 V N 1.824 121.776 119.914 0.062 0.000 2.432 366 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 366 V C 0.140 176.271 176.094 0.063 0.000 1.043 366 V CA -0.204 62.153 62.300 0.096 0.000 0.925 366 V CB 1.037 32.872 31.823 0.019 0.000 0.985 366 V HN 0.325 nan 8.190 nan 0.000 0.466 367 M N 4.412 124.044 119.600 0.053 0.000 2.528 367 M HA 0.581 5.061 4.480 -0.000 0.000 0.318 367 M C -0.564 175.680 176.300 -0.095 0.000 1.195 367 M CA -0.547 54.741 55.300 -0.018 0.000 1.000 367 M CB 1.653 34.209 32.600 -0.073 0.000 1.615 367 M HN 0.965 nan 8.290 nan 0.000 0.469 368 D N -2.123 118.235 120.400 -0.070 0.000 2.655 368 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 368 D C 0.249 176.541 176.300 -0.014 0.000 1.229 368 D CA -0.701 53.261 54.000 -0.063 0.000 0.807 368 D CB 1.422 42.219 40.800 -0.004 0.000 1.514 368 D HN 0.674 nan 8.370 nan 0.000 0.444 369 E N 0.316 120.517 120.200 0.001 0.000 2.082 369 E HA -0.431 3.919 4.350 -0.000 0.000 0.215 369 E C 1.590 178.244 176.600 0.090 0.000 1.048 369 E CA 2.173 58.611 56.400 0.063 0.000 0.869 369 E CB 0.024 29.774 29.700 0.083 0.000 0.773 369 E HN 0.581 nan 8.360 nan 0.000 0.466 370 Q N -0.654 119.197 119.800 0.085 0.000 2.047 370 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 370 Q C 2.365 178.429 176.000 0.107 0.000 1.005 370 Q CA 2.703 58.563 55.803 0.095 0.000 0.866 370 Q CB -0.434 28.361 28.738 0.095 0.000 0.938 370 Q HN 0.435 nan 8.270 nan 0.000 0.414 371 T N 1.185 115.810 114.554 0.118 0.000 2.622 371 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 371 T C 1.950 176.733 174.700 0.139 0.000 1.047 371 T CA 1.774 63.954 62.100 0.134 0.000 1.159 371 T CB -0.318 68.643 68.868 0.155 0.000 0.863 371 T HN 0.277 nan 8.240 nan 0.000 0.422 372 M N 0.652 120.339 119.600 0.145 0.000 2.151 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 372 M C 2.495 178.923 176.300 0.215 0.000 1.072 372 M CA 1.716 57.172 55.300 0.259 0.000 1.090 372 M CB -1.011 31.772 32.600 0.305 0.000 1.294 372 M HN 0.116 nan 8.290 nan 0.000 0.415 373 V N -0.098 119.890 119.914 0.123 0.000 2.392 373 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 373 V C 2.302 178.396 176.094 0.000 0.000 1.059 373 V CA 2.033 64.339 62.300 0.010 0.000 1.051 373 V CB -0.966 30.882 31.823 0.041 0.000 0.658 373 V HN 0.545 nan 8.190 nan 0.000 0.455 374 Q N -0.268 119.576 119.800 0.074 0.000 2.045 374 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 374 Q C 2.137 178.214 176.000 0.128 0.000 0.991 374 Q CA 2.268 58.128 55.803 0.095 0.000 0.851 374 Q CB -0.184 28.626 28.738 0.121 0.000 0.911 374 Q HN 0.644 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.746 120.400 0.172 0.000 2.106 375 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 375 D C 1.902 178.183 176.300 -0.031 0.000 0.997 375 D CA 1.281 55.391 54.000 0.184 0.000 0.834 375 D CB -0.375 40.516 40.800 0.152 0.000 0.956 375 D HN 0.330 nan 8.370 nan 0.000 0.448 376 I N 0.604 121.135 120.570 -0.066 0.000 2.118 376 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 376 I C 2.527 178.523 176.117 -0.202 0.000 1.070 376 I CA 0.874 62.034 61.300 -0.234 0.000 1.327 376 I CB -0.362 37.393 38.000 -0.408 0.000 1.034 376 I HN 0.024 nan 8.210 nan 0.000 0.405 377 L N 0.211 121.347 121.223 -0.147 0.000 2.042 377 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 377 L C 2.624 179.558 176.870 0.107 0.000 1.076 377 L CA 1.371 56.206 54.840 -0.008 0.000 0.749 377 L CB -0.601 41.473 42.059 0.026 0.000 0.893 377 L HN 0.298 nan 8.230 nan 0.000 0.432 378 L N -0.929 120.382 121.223 0.146 0.000 1.989 378 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 378 L C 2.760 179.788 176.870 0.264 0.000 1.071 378 L CA 1.600 56.605 54.840 0.275 0.000 0.749 378 L CB -0.406 41.941 42.059 0.481 0.000 0.890 378 L HN 0.325 nan 8.230 nan 0.000 0.431 379 M N -0.559 119.058 119.600 0.028 0.000 2.082 379 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 379 M C 2.326 178.699 176.300 0.121 0.000 1.071 379 M CA 1.883 57.130 55.300 -0.087 0.000 1.103 379 M CB -0.557 31.780 32.600 -0.439 0.000 1.307 379 M HN 0.129 nan 8.290 nan 0.000 0.409 380 K N 0.239 120.611 120.400 -0.046 0.000 2.074 380 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 380 K C 1.940 178.520 176.600 -0.034 0.000 1.048 380 K CA 1.652 57.807 56.287 -0.221 0.000 0.926 380 K CB -0.346 31.821 32.500 -0.556 0.000 0.713 380 K HN 0.536 nan 8.250 nan 0.000 0.444 381 Q N 0.171 120.115 119.800 0.239 0.000 2.291 381 Q HA -0.051 4.289 4.340 -0.000 0.000 0.205 381 Q C 0.859 177.145 176.000 0.476 0.000 0.970 381 Q CA 0.735 56.800 55.803 0.436 0.000 0.876 381 Q CB 0.065 29.029 28.738 0.376 0.000 0.935 381 Q HN 0.304 nan 8.270 nan 0.000 0.455 382 N N 0.846 119.795 118.700 0.415 0.000 2.320 382 N HA 0.053 4.793 4.740 -0.000 0.000 0.237 382 N C -0.685 174.972 175.510 0.246 0.000 1.129 382 N CA -0.010 53.286 53.050 0.411 0.000 0.854 382 N CB 0.619 39.416 38.487 0.517 0.000 1.083 382 N HN 0.166 nan 8.380 nan 0.000 0.504 383 N N 0.193 119.022 118.700 0.216 0.000 2.776 383 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 383 N C -0.880 174.544 175.510 -0.144 0.000 1.111 383 N CA 0.840 53.929 53.050 0.064 0.000 0.711 383 N CB -1.771 36.636 38.487 -0.133 0.000 1.065 383 N HN 0.260 nan 8.380 nan 0.000 0.556 384 F N 0.988 120.952 119.950 0.024 0.000 2.399 384 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 384 F C 1.753 177.548 175.800 -0.008 0.000 1.084 384 F CA -0.566 57.435 58.000 0.001 0.000 1.053 384 F CB 0.917 39.895 39.000 -0.038 0.000 1.209 384 F HN 0.048 nan 8.300 nan 0.000 0.502 385 N N 0.288 119.112 118.700 0.208 0.000 2.118 385 N HA 0.435 5.175 4.740 -0.000 0.000 0.226 385 N C -0.885 174.693 175.510 0.113 0.000 1.305 385 N CA 0.032 53.139 53.050 0.095 0.000 0.890 385 N CB 0.742 39.328 38.487 0.164 0.000 1.118 385 N HN 0.485 nan 8.380 nan 0.000 0.511 386 A N -0.436 122.514 122.820 0.216 0.000 2.606 386 A HA 0.783 5.103 4.320 -0.000 0.000 0.293 386 A C -1.708 176.101 177.584 0.376 0.000 1.082 386 A CA -0.595 51.627 52.037 0.309 0.000 0.685 386 A CB 1.728 20.959 19.000 0.385 0.000 1.284 386 A HN 0.375 nan 8.150 nan 0.000 0.408 387 V N 0.694 120.863 119.914 0.426 0.000 3.012 387 V HA 0.836 4.956 4.120 -0.000 0.000 0.307 387 V C -0.930 175.271 176.094 0.178 0.000 1.166 387 V CA -0.730 61.772 62.300 0.337 0.000 0.974 387 V CB 1.993 33.910 31.823 0.157 0.000 1.040 387 V HN 1.181 nan 8.190 nan 0.000 0.428 388 R N 4.487 124.937 120.500 -0.083 0.000 2.387 388 R HA 0.511 4.851 4.340 -0.000 0.000 0.314 388 R C -0.831 175.318 176.300 -0.251 0.000 0.958 388 R CA -0.484 55.409 56.100 -0.344 0.000 0.846 388 R CB 1.223 31.058 30.300 -0.776 0.000 1.147 388 R HN 0.858 nan 8.270 nan 0.000 0.447 389 C N 4.278 123.460 119.300 -0.197 0.000 3.183 389 C HA 0.106 4.566 4.460 -0.000 0.000 0.545 389 C C 0.550 175.243 174.990 -0.495 0.000 1.044 389 C CA -0.467 58.381 59.018 -0.283 0.000 1.117 389 C CB -2.138 25.543 27.740 -0.097 0.000 1.393 389 C HN 0.689 nan 8.230 nan 0.000 0.611 390 S N 1.492 116.772 115.700 -0.700 0.000 2.465 390 S HA 0.186 4.656 4.470 -0.000 0.000 0.280 390 S C -0.115 173.558 174.600 -1.546 0.000 1.232 390 S CA 0.111 57.594 58.200 -1.194 0.000 1.066 390 S CB 0.097 62.531 63.200 -1.277 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.433 121.854 119.070 -1.081 0.000 2.597 391 H HA 0.297 4.853 4.556 -0.000 0.000 0.225 391 H C -1.191 173.994 175.328 -0.238 0.000 1.422 391 H CA -0.360 55.447 56.048 -0.403 0.000 1.335 391 H CB -0.098 29.636 29.762 -0.046 0.000 1.783 391 H HN 0.890 nan 8.280 nan 0.000 0.513 392 Y N -2.695 117.705 120.300 0.167 0.000 2.774 392 Y HA 0.437 4.987 4.550 -0.000 0.000 0.346 392 Y C -3.305 172.694 175.900 0.166 0.000 1.222 392 Y CA -3.037 55.169 58.100 0.175 0.000 1.088 392 Y CB 0.009 38.577 38.460 0.179 0.000 1.354 392 Y HN -0.108 nan 8.280 nan 0.000 0.455 393 P HA 0.221 nan 4.420 nan 0.000 0.271 393 P C -0.756 176.837 177.300 0.488 0.000 1.218 393 P CA 0.053 63.412 63.100 0.431 0.000 0.780 393 P CB 0.678 32.568 31.700 0.316 0.000 0.901 394 N N 0.155 119.155 118.700 0.500 0.000 2.491 394 N HA 0.111 4.851 4.740 -0.000 0.000 0.279 394 N C 0.004 175.764 175.510 0.416 0.000 1.236 394 N CA -0.624 52.621 53.050 0.326 0.000 0.982 394 N CB 0.386 38.815 38.487 -0.098 0.000 1.194 394 N HN 0.585 nan 8.380 nan 0.000 0.582 395 H N 2.209 121.390 119.070 0.184 0.000 3.046 395 H HA 0.027 4.583 4.556 -0.000 0.000 0.303 395 H C -1.717 173.815 175.328 0.340 0.000 1.002 395 H CA -1.121 55.045 56.048 0.197 0.000 1.460 395 H CB 0.911 30.740 29.762 0.112 0.000 1.493 395 H HN 0.419 nan 8.280 nan 0.000 0.559 396 P HA -0.282 nan 4.420 nan 0.000 0.219 396 P C 1.881 179.496 177.300 0.525 0.000 1.158 396 P CA 1.020 64.339 63.100 0.364 0.000 0.895 396 P CB 0.155 31.872 31.700 0.028 0.000 0.792 397 L N -1.177 120.423 121.223 0.628 0.000 2.081 397 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 397 L C 2.414 179.533 176.870 0.414 0.000 1.080 397 L CA 1.668 56.819 54.840 0.518 0.000 0.754 397 L CB -1.430 40.939 42.059 0.516 0.000 0.893 397 L HN 0.086 nan 8.230 nan 0.000 0.433 398 W N -0.281 121.126 121.300 0.179 0.000 2.290 398 W HA -0.408 4.252 4.660 -0.000 0.000 0.328 398 W C 2.313 178.745 176.519 -0.146 0.000 1.272 398 W CA 2.271 59.569 57.345 -0.078 0.000 1.262 398 W CB -0.594 28.679 29.460 -0.312 0.000 1.151 398 W HN 0.285 nan 8.180 nan 0.000 0.473 399 Y N 0.709 120.986 120.300 -0.038 0.000 2.193 399 Y HA -0.283 4.267 4.550 -0.000 0.000 0.285 399 Y C 2.834 178.513 175.900 -0.368 0.000 1.166 399 Y CA 2.252 60.086 58.100 -0.444 0.000 1.181 399 Y CB -1.468 36.431 38.460 -0.934 0.000 0.976 399 Y HN -0.143 nan 8.280 nan 0.000 0.520 400 T N 0.567 115.159 114.554 0.064 0.000 2.708 400 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 400 T C 2.040 176.775 174.700 0.059 0.000 1.037 400 T CA 1.377 63.567 62.100 0.150 0.000 1.146 400 T CB -0.570 68.435 68.868 0.228 0.000 0.865 400 T HN 0.231 nan 8.240 nan 0.000 0.435 401 L N 0.461 121.697 121.223 0.022 0.000 2.042 401 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 401 L C 2.908 179.778 176.870 -0.000 0.000 1.076 401 L CA 1.068 55.944 54.840 0.060 0.000 0.749 401 L CB -0.776 41.299 42.059 0.026 0.000 0.893 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.342 118.787 119.300 -0.285 0.000 2.425 402 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 402 C C 2.447 177.450 174.990 0.022 0.000 1.280 402 C CA 0.391 59.254 59.018 -0.258 0.000 1.744 402 C CB -0.829 26.630 27.740 -0.468 0.000 1.989 402 C HN 0.546 nan 8.230 nan 0.000 0.491 403 D N 0.417 120.832 120.400 0.024 0.000 2.123 403 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 403 D C 2.352 178.804 176.300 0.253 0.000 0.992 403 D CA 1.314 55.391 54.000 0.129 0.000 0.833 403 D CB -0.322 40.525 40.800 0.079 0.000 0.954 403 D HN 0.469 nan 8.370 nan 0.000 0.455 404 R N -0.854 119.702 120.500 0.094 0.000 2.075 404 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 404 R C 2.318 178.530 176.300 -0.147 0.000 1.114 404 R CA 0.751 56.830 56.100 -0.035 0.000 0.972 404 R CB -0.332 29.857 30.300 -0.186 0.000 0.869 404 R HN 0.280 nan 8.270 nan 0.000 0.437 405 Y N -0.780 119.528 120.300 0.013 0.000 2.337 405 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 405 Y C 0.955 176.781 175.900 -0.123 0.000 1.123 405 Y CA 0.933 59.010 58.100 -0.039 0.000 1.201 405 Y CB 0.567 38.972 38.460 -0.092 0.000 1.011 405 Y HN 0.259 nan 8.280 nan 0.000 0.545 406 G N 1.043 109.863 108.800 0.033 0.000 2.943 406 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.250 406 G C -1.161 173.567 174.900 -0.286 0.000 0.996 406 G CA -0.631 44.349 45.100 -0.200 0.000 1.248 406 G HN 0.122 nan 8.290 nan 0.000 0.589 407 L N 0.957 122.080 121.223 -0.168 0.000 2.455 407 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 407 L C -0.059 176.755 176.870 -0.094 0.000 0.968 407 L CA -1.221 53.477 54.840 -0.238 0.000 0.827 407 L CB 2.045 43.989 42.059 -0.192 0.000 1.317 407 L HN 0.437 nan 8.230 nan 0.000 0.407 408 Y N 2.062 122.460 120.300 0.164 0.000 2.359 408 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 408 Y C 0.308 176.306 175.900 0.164 0.000 1.143 408 Y CA -0.568 57.656 58.100 0.206 0.000 1.318 408 Y CB 1.272 39.846 38.460 0.190 0.000 1.234 408 Y HN 0.163 nan 8.280 nan 0.000 0.522 409 V N 3.724 123.805 119.914 0.278 0.000 2.735 409 V HA 0.386 4.506 4.120 -0.000 0.000 0.310 409 V C -0.737 175.423 176.094 0.110 0.000 1.061 409 V CA -1.046 61.358 62.300 0.174 0.000 0.913 409 V CB 2.106 33.988 31.823 0.099 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.592 122.549 119.914 0.073 0.000 2.328 410 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 410 V C -0.399 175.725 176.094 0.049 0.000 1.021 410 V CA -0.449 61.853 62.300 0.003 0.000 0.838 410 V CB 1.406 33.158 31.823 -0.120 0.000 0.999 410 V HN 0.869 nan 8.190 nan 0.000 0.447 411 D N 4.052 124.509 120.400 0.095 0.000 2.312 411 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 411 D C -0.181 176.290 176.300 0.285 0.000 1.150 411 D CA 0.093 54.244 54.000 0.251 0.000 0.870 411 D CB 1.210 42.199 40.800 0.316 0.000 1.153 411 D HN 0.709 nan 8.370 nan 0.000 0.457 412 E N 1.826 122.169 120.200 0.238 0.000 2.234 412 E HA 0.607 4.957 4.350 -0.000 0.000 0.266 412 E C -1.117 175.618 176.600 0.225 0.000 0.877 412 E CA -1.074 55.455 56.400 0.215 0.000 0.758 412 E CB 1.388 31.169 29.700 0.135 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.731 126.680 122.820 0.214 0.000 2.445 413 A HA 0.071 4.391 4.320 -0.000 0.000 0.242 413 A C 0.352 178.058 177.584 0.203 0.000 1.075 413 A CA -0.271 51.875 52.037 0.181 0.000 0.777 413 A CB 0.178 19.253 19.000 0.124 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.455 120.283 118.700 0.213 0.000 2.971 414 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 414 N C -0.947 174.685 175.510 0.203 0.000 1.210 414 N CA 0.239 53.443 53.050 0.257 0.000 1.157 414 N CB -0.877 37.769 38.487 0.265 0.000 1.450 414 N HN 0.472 nan 8.380 nan 0.000 0.527 415 I N 0.746 121.429 120.570 0.189 0.000 2.529 415 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 415 I C -0.587 175.617 176.117 0.144 0.000 1.088 415 I CA -0.660 60.732 61.300 0.153 0.000 1.062 415 I CB 1.874 39.939 38.000 0.108 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.217 124.499 120.200 0.137 0.000 2.278 416 E HA 0.399 4.749 4.350 -0.000 0.000 0.272 416 E C -0.449 176.211 176.600 0.099 0.000 0.890 416 E CA -0.443 56.010 56.400 0.089 0.000 0.770 416 E CB 1.871 31.603 29.700 0.052 0.000 1.212 416 E HN 0.649 nan 8.360 nan 0.000 0.415 417 T N 0.629 115.230 114.554 0.078 0.000 3.331 417 T HA 0.147 4.497 4.350 -0.000 0.000 0.282 417 T C 0.962 175.708 174.700 0.077 0.000 1.010 417 T CA -0.248 61.927 62.100 0.125 0.000 0.928 417 T CB -0.313 68.605 68.868 0.083 0.000 1.154 417 T HN 0.679 nan 8.240 nan 0.000 0.516 418 H N 1.280 120.267 119.070 -0.138 0.000 2.330 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.290 418 H C 2.320 177.513 175.328 -0.224 0.000 1.111 418 H CA 1.617 57.544 56.048 -0.201 0.000 1.226 418 H CB -0.266 29.341 29.762 -0.260 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.247 108.899 108.800 -0.247 0.000 2.679 419 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 419 G C 0.623 175.613 174.900 0.151 0.000 1.137 419 G CA -0.019 44.966 45.100 -0.192 0.000 0.787 419 G HN 0.159 nan 8.290 nan 0.000 0.534 420 M N -0.036 119.694 119.600 0.218 0.000 2.113 420 M HA 0.340 4.820 4.480 -0.000 0.000 0.288 420 M C -0.300 176.032 176.300 0.053 0.000 1.225 420 M CA 0.098 55.486 55.300 0.146 0.000 1.148 420 M CB 1.021 33.661 32.600 0.067 0.000 1.388 420 M HN -0.163 nan 8.290 nan 0.000 0.469 421 V N 1.922 121.846 119.914 0.017 0.000 2.624 421 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 421 V C -2.201 173.882 176.094 -0.018 0.000 1.077 421 V CA -1.292 61.006 62.300 -0.005 0.000 0.905 421 V CB 1.978 33.797 31.823 -0.008 0.000 1.025 421 V HN 0.734 nan 8.190 nan 0.000 0.440 422 P HA 0.265 nan 4.420 nan 0.000 0.274 422 P C 1.137 178.432 177.300 -0.009 0.000 1.246 422 P CA -0.522 62.570 63.100 -0.014 0.000 0.795 422 P CB 0.819 32.513 31.700 -0.011 0.000 1.006 423 M N 1.200 120.799 119.600 -0.001 0.000 2.192 423 M HA -0.257 4.223 4.480 -0.000 0.000 0.256 423 M C 1.117 177.424 176.300 0.012 0.000 1.076 423 M CA 2.246 57.551 55.300 0.009 0.000 1.075 423 M CB -0.377 32.219 32.600 -0.007 0.000 1.368 423 M HN 0.404 nan 8.290 nan 0.000 0.406 424 N N -0.226 118.481 118.700 0.012 0.000 2.268 424 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 424 N C 1.154 176.625 175.510 -0.064 0.000 1.124 424 N CA 0.184 53.238 53.050 0.006 0.000 0.838 424 N CB -0.660 37.853 38.487 0.043 0.000 0.994 424 N HN 0.405 nan 8.380 nan 0.000 0.489 425 R N 0.640 121.092 120.500 -0.080 0.000 2.134 425 R HA -0.086 4.254 4.340 -0.000 0.000 0.248 425 R C 1.582 177.756 176.300 -0.209 0.000 1.143 425 R CA 1.719 57.746 56.100 -0.121 0.000 0.957 425 R CB -0.144 30.085 30.300 -0.118 0.000 0.867 425 R HN 0.297 nan 8.270 nan 0.000 0.441 426 L N -0.805 120.226 121.223 -0.320 0.000 2.102 426 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 426 L C 2.556 179.231 176.870 -0.326 0.000 1.076 426 L CA 1.389 55.895 54.840 -0.556 0.000 0.761 426 L CB -0.756 40.722 42.059 -0.968 0.000 0.921 426 L HN 0.400 nan 8.230 nan 0.000 0.444 427 T N -3.697 110.708 114.554 -0.247 0.000 2.897 427 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 427 T C 1.229 175.806 174.700 -0.206 0.000 1.084 427 T CA 1.485 63.426 62.100 -0.265 0.000 1.123 427 T CB -0.366 68.310 68.868 -0.321 0.000 0.865 427 T HN 0.116 nan 8.240 nan 0.000 0.496 428 D N 1.408 121.727 120.400 -0.135 0.000 2.358 428 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 428 D C -0.547 175.721 176.300 -0.055 0.000 1.123 428 D CA -0.217 53.725 54.000 -0.097 0.000 0.833 428 D CB -0.062 40.695 40.800 -0.072 0.000 0.946 428 D HN 0.362 nan 8.370 nan 0.000 0.505 429 D N -0.613 119.771 120.400 -0.028 0.000 2.549 429 D HA 0.185 4.825 4.640 -0.000 0.000 0.251 429 D C -1.829 174.538 176.300 0.111 0.000 1.153 429 D CA -2.294 51.740 54.000 0.057 0.000 0.861 429 D CB 2.198 43.068 40.800 0.117 0.000 1.207 429 D HN -0.156 nan 8.370 nan 0.000 0.543 430 P HA -0.207 nan 4.420 nan 0.000 0.218 430 P C 1.165 178.473 177.300 0.013 0.000 1.154 430 P CA 1.262 64.372 63.100 0.016 0.000 0.872 430 P CB 0.316 32.014 31.700 -0.002 0.000 0.790 431 R N -1.824 118.691 120.500 0.025 0.000 2.139 431 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 431 R C 1.916 178.079 176.300 -0.229 0.000 1.145 431 R CA 1.664 57.703 56.100 -0.102 0.000 0.976 431 R CB -0.860 29.363 30.300 -0.129 0.000 0.866 431 R HN 0.339 nan 8.270 nan 0.000 0.449 432 W N -0.577 120.661 121.300 -0.102 0.000 3.290 432 W HA 0.163 4.823 4.660 -0.000 0.000 0.287 432 W C 1.386 177.841 176.519 -0.107 0.000 1.288 432 W CA -0.545 56.739 57.345 -0.103 0.000 1.725 432 W CB -0.155 29.240 29.460 -0.109 0.000 1.103 432 W HN 0.040 nan 8.180 nan 0.000 0.670 433 L N 2.915 124.182 121.223 0.073 0.000 1.963 433 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 433 L C -0.499 176.343 176.870 -0.046 0.000 1.076 433 L CA 2.471 57.307 54.840 -0.006 0.000 0.772 433 L CB -1.982 40.058 42.059 -0.032 0.000 0.892 433 L HN -0.196 nan 8.230 nan 0.000 0.435 434 P HA -0.240 nan 4.420 nan 0.000 0.217 434 P C 1.605 178.855 177.300 -0.084 0.000 1.158 434 P CA 2.613 65.655 63.100 -0.097 0.000 0.887 434 P CB -0.402 31.233 31.700 -0.109 0.000 0.792 435 A N -0.517 122.267 122.820 -0.061 0.000 1.865 435 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 435 A C 2.341 179.931 177.584 0.010 0.000 1.191 435 A CA 2.568 54.599 52.037 -0.009 0.000 0.623 435 A CB -1.577 17.469 19.000 0.075 0.000 0.826 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.365 119.981 119.600 0.027 0.000 2.108 436 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 436 M C 2.457 178.703 176.300 -0.090 0.000 1.066 436 M CA 1.971 57.260 55.300 -0.017 0.000 1.107 436 M CB -0.800 31.769 32.600 -0.051 0.000 1.356 436 M HN 0.595 nan 8.290 nan 0.000 0.406 437 S N 0.457 116.077 115.700 -0.133 0.000 2.359 437 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 437 S C 1.661 176.105 174.600 -0.260 0.000 1.039 437 S CA 1.399 59.457 58.200 -0.237 0.000 1.042 437 S CB -0.721 62.324 63.200 -0.259 0.000 0.915 437 S HN 0.479 nan 8.310 nan 0.000 0.439 438 E N 1.275 121.369 120.200 -0.178 0.000 2.097 438 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 438 E C 2.348 178.868 176.600 -0.134 0.000 1.000 438 E CA 1.021 57.328 56.400 -0.156 0.000 0.804 438 E CB -0.240 29.402 29.700 -0.097 0.000 0.740 438 E HN 0.500 nan 8.360 nan 0.000 0.454 439 R N 0.139 120.587 120.500 -0.087 0.000 2.120 439 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 439 R C 2.390 178.649 176.300 -0.068 0.000 1.123 439 R CA 0.998 57.074 56.100 -0.040 0.000 0.975 439 R CB -0.037 30.273 30.300 0.017 0.000 0.866 439 R HN 0.026 nan 8.270 nan 0.000 0.446 440 V N 0.040 119.868 119.914 -0.143 0.000 2.374 440 V HA -0.183 3.937 4.120 -0.000 0.000 0.241 440 V C 2.400 178.342 176.094 -0.253 0.000 1.034 440 V CA 2.034 64.236 62.300 -0.163 0.000 1.037 440 V CB -0.401 31.316 31.823 -0.176 0.000 0.682 440 V HN 0.521 nan 8.190 nan 0.000 0.463 441 T N -0.168 114.113 114.554 -0.455 0.000 2.624 441 T HA -0.333 4.017 4.350 -0.000 0.000 0.268 441 T C 1.944 176.508 174.700 -0.227 0.000 1.041 441 T CA 1.894 63.656 62.100 -0.563 0.000 1.159 441 T CB -0.546 67.869 68.868 -0.755 0.000 0.863 441 T HN 0.387 nan 8.240 nan 0.000 0.434 442 R N 0.589 120.975 120.500 -0.190 0.000 2.091 442 R HA -0.004 4.336 4.340 -0.000 0.000 0.238 442 R C 2.738 178.975 176.300 -0.105 0.000 1.136 442 R CA 1.812 57.837 56.100 -0.125 0.000 0.959 442 R CB -0.579 29.656 30.300 -0.108 0.000 0.856 442 R HN 0.529 nan 8.270 nan 0.000 0.437 443 M N 0.785 120.331 119.600 -0.089 0.000 2.080 443 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 443 M C 1.952 178.196 176.300 -0.092 0.000 1.068 443 M CA 1.750 57.026 55.300 -0.041 0.000 1.109 443 M CB -0.016 32.601 32.600 0.028 0.000 1.342 443 M HN -0.009 nan 8.290 nan 0.000 0.405 444 V N 1.551 121.323 119.914 -0.237 0.000 2.295 444 V HA -0.307 3.813 4.120 -0.000 0.000 0.246 444 V C 2.403 178.396 176.094 -0.169 0.000 1.049 444 V CA 2.308 64.360 62.300 -0.412 0.000 1.024 444 V CB -1.207 30.334 31.823 -0.471 0.000 0.648 444 V HN 0.627 nan 8.190 nan 0.000 0.447 445 Q N 0.014 119.751 119.800 -0.105 0.000 2.226 445 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 445 Q C 2.349 178.281 176.000 -0.112 0.000 0.975 445 Q CA 1.628 57.382 55.803 -0.081 0.000 0.866 445 Q CB -0.352 28.366 28.738 -0.033 0.000 0.915 445 Q HN 0.597 nan 8.270 nan 0.000 0.440 446 R N 0.779 121.204 120.500 -0.126 0.000 2.062 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.754 176.976 176.300 -0.130 0.000 1.125 446 R CA 1.427 57.425 56.100 -0.169 0.000 0.966 446 R CB 0.320 30.516 30.300 -0.174 0.000 0.861 446 R HN 0.150 nan 8.270 nan 0.000 0.433 447 D N -0.012 120.374 120.400 -0.025 0.000 2.360 447 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 447 D C 1.466 177.864 176.300 0.164 0.000 1.047 447 D CA 0.236 54.266 54.000 0.050 0.000 0.854 447 D CB 0.208 40.994 40.800 -0.025 0.000 0.936 447 D HN 0.348 nan 8.370 nan 0.000 0.514 448 R N 0.796 121.412 120.500 0.194 0.000 2.303 448 R HA -0.008 4.332 4.340 -0.000 0.000 0.225 448 R C 0.906 177.202 176.300 -0.007 0.000 1.114 448 R CA 1.065 57.294 56.100 0.214 0.000 1.007 448 R CB -0.413 29.978 30.300 0.152 0.000 0.861 448 R HN -0.036 nan 8.270 nan 0.000 0.471 449 N N 0.213 118.822 118.700 -0.151 0.000 2.280 449 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 449 N C -0.526 174.841 175.510 -0.238 0.000 1.109 449 N CA 0.130 53.047 53.050 -0.222 0.000 0.855 449 N CB 0.153 38.453 38.487 -0.312 0.000 0.974 449 N HN 0.321 nan 8.380 nan 0.000 0.482 450 H N 1.572 120.553 119.070 -0.147 0.000 2.723 450 H HA 0.114 4.670 4.556 -0.000 0.000 0.294 450 H C -1.200 173.963 175.328 -0.275 0.000 1.079 450 H CA -1.328 54.616 56.048 -0.173 0.000 1.411 450 H CB 1.630 31.324 29.762 -0.113 0.000 1.439 450 H HN 0.016 nan 8.280 nan 0.000 0.474 451 P HA -0.176 nan 4.420 nan 0.000 0.217 451 P C 1.431 178.311 177.300 -0.700 0.000 1.148 451 P CA 1.321 64.074 63.100 -0.579 0.000 0.828 451 P CB 0.205 31.298 31.700 -1.011 0.000 0.783 452 S N -1.313 114.050 115.700 -0.563 0.000 2.442 452 S HA -0.036 4.434 4.470 -0.000 0.000 0.236 452 S C 1.050 175.613 174.600 -0.061 0.000 1.007 452 S CA 0.305 58.346 58.200 -0.264 0.000 0.965 452 S CB -1.404 61.758 63.200 -0.063 0.000 0.773 452 S HN -0.054 nan 8.310 nan 0.000 0.504 453 V N 3.561 123.402 119.914 -0.123 0.000 2.470 453 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 453 V C 1.021 176.971 176.094 -0.239 0.000 1.040 453 V CA -0.076 62.118 62.300 -0.175 0.000 1.008 453 V CB 0.623 32.240 31.823 -0.342 0.000 0.990 453 V HN 0.625 nan 8.190 nan 0.000 0.477 454 I N 2.539 123.010 120.570 -0.164 0.000 4.327 454 I HA 0.525 4.695 4.170 -0.000 0.000 0.331 454 I C 0.201 176.196 176.117 -0.204 0.000 1.348 454 I CA 0.339 61.550 61.300 -0.148 0.000 1.152 454 I CB 0.520 38.513 38.000 -0.012 0.000 1.151 454 I HN 0.319 nan 8.210 nan 0.000 0.410 455 I N 0.491 120.905 120.570 -0.259 0.000 2.692 455 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 455 I C -1.598 174.412 176.117 -0.178 0.000 1.200 455 I CA -0.398 60.799 61.300 -0.172 0.000 1.036 455 I CB 2.047 40.043 38.000 -0.006 0.000 1.258 455 I HN 0.038 nan 8.210 nan 0.000 0.421 456 W N 3.860 125.205 121.300 0.074 0.000 2.449 456 W HA 0.616 5.276 4.660 -0.000 0.000 0.331 456 W C 0.441 177.022 176.519 0.102 0.000 1.119 456 W CA -0.628 56.767 57.345 0.083 0.000 1.240 456 W CB 1.652 31.154 29.460 0.069 0.000 1.251 456 W HN 0.364 nan 8.180 nan 0.000 0.576 457 S N 2.796 118.726 115.700 0.383 0.000 2.557 457 S HA 0.398 4.868 4.470 -0.000 0.000 0.291 457 S C -0.093 174.673 174.600 0.276 0.000 1.116 457 S CA -0.756 57.617 58.200 0.288 0.000 0.992 457 S CB 0.789 64.113 63.200 0.207 0.000 1.028 457 S HN 0.567 nan 8.310 nan 0.000 0.484 458 L N 4.188 125.570 121.223 0.266 0.000 2.645 458 L HA 0.388 4.728 4.340 -0.000 0.000 0.235 458 L C 1.411 178.375 176.870 0.156 0.000 1.150 458 L CA 0.380 55.313 54.840 0.155 0.000 0.911 458 L CB -1.449 40.615 42.059 0.008 0.000 1.077 458 L HN 1.039 nan 8.230 nan 0.000 0.438 459 G N 0.132 109.085 108.800 0.255 0.000 2.297 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.209 459 G C -1.483 173.585 174.900 0.280 0.000 1.267 459 G CA -0.549 44.696 45.100 0.242 0.000 1.127 459 G HN 0.233 nan 8.290 nan 0.000 0.498 460 N N 0.333 119.146 118.700 0.189 0.000 2.598 460 N HA 0.451 5.191 4.740 -0.000 0.000 0.263 460 N C -0.461 175.004 175.510 -0.075 0.000 1.254 460 N CA 0.142 53.164 53.050 -0.047 0.000 0.863 460 N CB 1.389 39.571 38.487 -0.508 0.000 1.586 460 N HN 0.952 nan 8.380 nan 0.000 0.491 461 E N 0.275 120.324 120.200 -0.252 0.000 1.867 461 E HA -0.203 4.147 4.350 -0.000 0.000 0.164 461 E C -0.783 175.713 176.600 -0.174 0.000 1.355 461 E CA 0.692 56.866 56.400 -0.377 0.000 0.575 461 E CB -1.445 27.732 29.700 -0.871 0.000 1.037 461 E HN 0.360 nan 8.360 nan 0.000 0.286 462 S N 0.165 115.914 115.700 0.082 0.000 2.941 462 S HA 0.398 4.868 4.470 -0.000 0.000 0.251 462 S C 0.724 175.481 174.600 0.262 0.000 1.029 462 S CA -0.121 58.182 58.200 0.172 0.000 1.062 462 S CB 1.363 64.716 63.200 0.255 0.000 0.977 462 S HN 0.892 nan 8.310 nan 0.000 0.552 463 G N 1.981 110.880 108.800 0.165 0.000 2.575 463 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 463 G C -0.515 174.599 174.900 0.357 0.000 1.264 463 G CA -0.005 45.199 45.100 0.173 0.000 0.935 463 G HN 0.625 nan 8.290 nan 0.000 0.568 464 H N 0.434 119.629 119.070 0.209 0.000 2.840 464 H HA 0.577 5.133 4.556 -0.000 0.000 0.340 464 H C 0.115 175.620 175.328 0.295 0.000 1.004 464 H CA 0.060 56.259 56.048 0.252 0.000 1.288 464 H CB 1.022 30.860 29.762 0.126 0.000 1.607 464 H HN 1.263 nan 8.280 nan 0.000 0.522 465 G N 1.382 110.187 108.800 0.009 0.000 2.642 465 G HA2 0.453 4.413 3.960 -0.000 0.000 0.293 465 G HA3 0.453 4.413 3.960 -0.000 0.000 0.293 465 G C 0.494 175.221 174.900 -0.288 0.000 1.341 465 G CA -0.142 44.817 45.100 -0.234 0.000 0.916 465 G HN 0.665 nan 8.290 nan 0.000 0.474 466 A N 0.602 123.299 122.820 -0.204 0.000 1.986 466 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 466 A C 2.186 179.725 177.584 -0.076 0.000 1.171 466 A CA 2.205 54.177 52.037 -0.108 0.000 0.640 466 A CB -0.522 18.442 19.000 -0.060 0.000 0.811 466 A HN 0.566 nan 8.150 nan 0.000 0.451 467 N N -0.346 118.269 118.700 -0.141 0.000 2.137 467 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 467 N C 1.416 176.850 175.510 -0.126 0.000 1.017 467 N CA 1.883 54.840 53.050 -0.155 0.000 0.859 467 N CB -0.723 37.636 38.487 -0.212 0.000 1.002 467 N HN 0.812 nan 8.380 nan 0.000 0.428 468 H N 0.397 119.409 119.070 -0.097 0.000 2.293 468 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 468 H C 1.367 176.734 175.328 0.065 0.000 1.082 468 H CA 1.356 57.361 56.048 -0.071 0.000 1.308 468 H CB 0.065 29.771 29.762 -0.093 0.000 1.375 468 H HN 0.177 nan 8.280 nan 0.000 0.495 469 D N 0.515 121.049 120.400 0.222 0.000 2.116 469 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 469 D C 2.313 178.755 176.300 0.235 0.000 0.998 469 D CA 1.343 55.475 54.000 0.220 0.000 0.836 469 D CB -0.564 40.332 40.800 0.161 0.000 0.951 469 D HN 0.445 nan 8.370 nan 0.000 0.449 470 A N 0.800 123.709 122.820 0.147 0.000 1.908 470 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 470 A C 2.464 180.154 177.584 0.175 0.000 1.181 470 A CA 1.042 53.161 52.037 0.137 0.000 0.627 470 A CB -0.773 18.266 19.000 0.065 0.000 0.818 470 A HN 0.216 nan 8.150 nan 0.000 0.445 471 L N -2.168 119.142 121.223 0.145 0.000 2.056 471 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 471 L C 2.601 179.611 176.870 0.234 0.000 1.078 471 L CA 1.741 56.668 54.840 0.144 0.000 0.749 471 L CB -0.809 41.272 42.059 0.036 0.000 0.901 471 L HN 0.611 nan 8.230 nan 0.000 0.433 472 Y N 0.951 121.329 120.300 0.131 0.000 2.081 472 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 472 Y C 2.919 178.898 175.900 0.131 0.000 1.163 472 Y CA 1.629 59.810 58.100 0.135 0.000 1.135 472 Y CB -0.234 38.306 38.460 0.134 0.000 0.970 472 Y HN -0.056 nan 8.280 nan 0.000 0.498 473 R N 0.011 120.642 120.500 0.219 0.000 2.083 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.237 473 R C 2.118 178.419 176.300 0.002 0.000 1.137 473 R CA 2.015 58.164 56.100 0.082 0.000 0.951 473 R CB -1.697 28.725 30.300 0.204 0.000 0.851 473 R HN 0.687 nan 8.270 nan 0.000 0.434 474 W N 1.309 122.567 121.300 -0.071 0.000 2.318 474 W HA -0.209 4.451 4.660 -0.000 0.000 0.313 474 W C 1.943 178.368 176.519 -0.157 0.000 1.221 474 W CA 1.954 59.241 57.345 -0.095 0.000 1.266 474 W CB -0.422 28.986 29.460 -0.087 0.000 1.150 474 W HN 0.023 nan 8.180 nan 0.000 0.496 475 I N 0.612 121.174 120.570 -0.015 0.000 2.142 475 I HA -0.351 3.819 4.170 -0.000 0.000 0.240 475 I C 2.467 178.352 176.117 -0.386 0.000 1.078 475 I CA 1.432 62.553 61.300 -0.297 0.000 1.343 475 I CB -1.016 36.878 38.000 -0.177 0.000 1.046 475 I HN -0.092 nan 8.210 nan 0.000 0.405 476 K N 1.183 121.380 120.400 -0.337 0.000 2.089 476 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 476 K C 2.219 178.668 176.600 -0.252 0.000 1.048 476 K CA 1.888 58.001 56.287 -0.290 0.000 0.926 476 K CB -0.666 31.642 32.500 -0.319 0.000 0.714 476 K HN 0.374 nan 8.250 nan 0.000 0.448 477 S N 0.312 115.826 115.700 -0.309 0.000 2.395 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 477 S C 2.227 176.595 174.600 -0.386 0.000 1.027 477 S CA 0.808 58.830 58.200 -0.297 0.000 0.965 477 S CB -0.131 62.905 63.200 -0.273 0.000 0.812 477 S HN -0.006 nan 8.310 nan 0.000 0.482 478 V N 1.383 120.927 119.914 -0.616 0.000 2.535 478 V HA 0.061 4.181 4.120 -0.000 0.000 0.246 478 V C 0.385 176.235 176.094 -0.406 0.000 1.045 478 V CA 1.238 63.156 62.300 -0.637 0.000 1.058 478 V CB -0.236 30.890 31.823 -1.162 0.000 0.689 478 V HN 0.392 nan 8.190 nan 0.000 0.461 479 D N -0.712 119.488 120.400 -0.332 0.000 2.358 479 D HA 0.273 4.913 4.640 -0.000 0.000 0.253 479 D C -2.272 174.004 176.300 -0.039 0.000 1.288 479 D CA -1.767 52.154 54.000 -0.130 0.000 0.950 479 D CB 1.977 42.784 40.800 0.011 0.000 1.197 479 D HN 0.079 nan 8.370 nan 0.000 0.550 480 P HA 0.027 nan 4.420 nan 0.000 0.255 480 P C 1.076 178.392 177.300 0.027 0.000 1.248 480 P CA 0.228 63.316 63.100 -0.020 0.000 0.807 480 P CB 0.311 31.990 31.700 -0.036 0.000 1.150 481 S N -0.505 115.223 115.700 0.047 0.000 2.489 481 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 481 S C 0.907 175.538 174.600 0.051 0.000 0.995 481 S CA -0.041 58.191 58.200 0.054 0.000 0.934 481 S CB -0.398 62.828 63.200 0.044 0.000 0.771 481 S HN 0.106 nan 8.310 nan 0.000 0.522 482 R N 0.953 121.501 120.500 0.081 0.000 2.744 482 R HA 0.635 4.975 4.340 -0.000 0.000 0.279 482 R C -3.222 173.142 176.300 0.106 0.000 0.977 482 R CA -2.408 53.712 56.100 0.032 0.000 0.906 482 R CB 1.063 31.266 30.300 -0.162 0.000 1.197 482 R HN 0.127 nan 8.270 nan 0.000 0.463 483 P HA 0.197 nan 4.420 nan 0.000 0.276 483 P C -0.795 176.607 177.300 0.171 0.000 1.252 483 P CA -0.531 62.633 63.100 0.106 0.000 0.802 483 P CB 0.783 32.530 31.700 0.078 0.000 1.035 484 V N 1.857 121.894 119.914 0.205 0.000 2.540 484 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 484 V C 0.138 176.410 176.094 0.296 0.000 1.035 484 V CA -0.416 62.050 62.300 0.278 0.000 0.873 484 V CB 1.333 33.300 31.823 0.239 0.000 0.992 484 V HN 0.631 nan 8.190 nan 0.000 0.428 485 Q N 3.675 123.631 119.800 0.260 0.000 2.433 485 Q HA 0.822 5.162 4.340 -0.000 0.000 0.279 485 Q C -1.754 174.405 176.000 0.265 0.000 1.105 485 Q CA -0.976 54.952 55.803 0.208 0.000 0.815 485 Q CB 2.978 31.785 28.738 0.115 0.000 1.403 485 Q HN 0.662 nan 8.270 nan 0.000 0.435 486 Y N 0.189 120.507 120.300 0.030 0.000 2.376 486 Y HA 0.154 4.704 4.550 -0.000 0.000 0.321 486 Y C -0.371 175.479 175.900 -0.084 0.000 1.189 486 Y CA -0.643 57.443 58.100 -0.023 0.000 1.069 486 Y CB 2.096 40.538 38.460 -0.031 0.000 1.292 486 Y HN 0.951 nan 8.280 nan 0.000 0.430 487 E N 3.597 123.338 120.200 -0.766 0.000 2.250 487 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 487 E C 0.734 176.875 176.600 -0.766 0.000 0.986 487 E CA 0.767 56.802 56.400 -0.609 0.000 0.849 487 E CB 0.176 29.637 29.700 -0.398 0.000 0.797 487 E HN 0.909 nan 8.360 nan 0.000 0.482 488 G N 0.062 107.963 108.800 -1.498 0.000 2.464 488 G HA2 0.158 4.117 3.960 -0.000 0.000 0.231 488 G HA3 0.158 4.117 3.960 -0.000 0.000 0.231 488 G C 0.808 175.542 174.900 -0.275 0.000 1.267 488 G CA 0.398 45.025 45.100 -0.789 0.000 0.863 488 G HN 0.390 nan 8.290 nan 0.000 0.559 489 G N -0.248 108.494 108.800 -0.096 0.000 2.198 489 G HA2 0.230 4.190 3.960 -0.000 0.000 0.260 489 G HA3 0.230 4.190 3.960 -0.000 0.000 0.260 489 G C 1.290 176.175 174.900 -0.026 0.000 1.025 489 G CA 1.000 46.103 45.100 0.006 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.715 107.066 108.800 -0.031 0.000 2.229 490 G HA2 0.420 4.380 3.960 -0.000 0.000 0.189 490 G HA3 0.420 4.380 3.960 -0.000 0.000 0.189 490 G C 1.089 176.080 174.900 0.152 0.000 1.000 490 G CA 1.329 46.469 45.100 0.066 0.000 0.663 490 G HN 2.340 nan 8.290 nan 0.000 0.493 491 A N -0.155 122.649 122.820 -0.025 0.000 3.413 491 A HA -0.113 4.207 4.320 -0.000 0.000 0.268 491 A C 1.093 178.624 177.584 -0.088 0.000 1.128 491 A CA 2.665 54.640 52.037 -0.103 0.000 1.062 491 A CB -1.810 17.099 19.000 -0.151 0.000 1.121 491 A HN 2.111 nan 8.150 nan 0.000 0.895 492 D N -1.094 119.321 120.400 0.025 0.000 2.692 492 D HA 0.301 4.941 4.640 -0.000 0.000 0.290 492 D C 0.433 176.722 176.300 -0.019 0.000 1.455 492 D CA 0.841 54.862 54.000 0.036 0.000 0.796 492 D CB -1.153 39.798 40.800 0.253 0.000 1.131 492 D HN 0.846 nan 8.370 nan 0.000 0.467 493 T N -2.453 112.026 114.554 -0.126 0.000 2.698 493 T HA 0.147 4.497 4.350 -0.000 0.000 0.295 493 T C 1.615 176.184 174.700 -0.219 0.000 1.007 493 T CA 0.580 62.532 62.100 -0.245 0.000 0.980 493 T CB 1.032 69.541 68.868 -0.598 0.000 1.036 493 T HN 0.078 nan 8.240 nan 0.000 0.526 494 T N -2.143 112.270 114.554 -0.235 0.000 3.113 494 T HA 0.127 4.477 4.350 -0.000 0.000 0.263 494 T C 1.648 176.101 174.700 -0.411 0.000 1.143 494 T CA 0.600 62.575 62.100 -0.209 0.000 1.090 494 T CB -0.770 68.045 68.868 -0.088 0.000 0.922 494 T HN 0.836 nan 8.240 nan 0.000 0.521 495 A N 0.139 122.750 122.820 -0.349 0.000 2.337 495 A HA 0.464 4.784 4.320 -0.000 0.000 0.227 495 A C 0.979 178.381 177.584 -0.304 0.000 1.259 495 A CA -0.025 51.760 52.037 -0.419 0.000 0.870 495 A CB -0.111 18.899 19.000 0.017 0.000 0.927 495 A HN 0.492 nan 8.150 nan 0.000 0.497 496 T N -1.531 112.884 114.554 -0.231 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.299 496 T C -0.562 174.168 174.700 0.050 0.000 1.052 496 T CA -0.465 61.642 62.100 0.012 0.000 0.996 496 T CB 1.319 70.190 68.868 0.005 0.000 1.070 496 T HN 0.076 nan 8.240 nan 0.000 0.465 497 D N 2.618 123.125 120.400 0.178 0.000 2.349 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.215 497 D C 0.255 176.591 176.300 0.060 0.000 1.016 497 D CA 0.660 54.749 54.000 0.148 0.000 0.870 497 D CB 0.397 41.310 40.800 0.189 0.000 0.917 497 D HN 0.511 nan 8.370 nan 0.000 0.524 498 I N 0.471 121.057 120.570 0.027 0.000 2.769 498 I HA 0.253 4.423 4.170 -0.000 0.000 0.298 498 I C -0.430 175.629 176.117 -0.097 0.000 1.128 498 I CA -0.955 60.326 61.300 -0.032 0.000 1.031 498 I CB 2.997 40.985 38.000 -0.019 0.000 1.235 498 I HN -0.347 nan 8.210 nan 0.000 0.423 499 I N 4.901 125.369 120.570 -0.171 0.000 2.363 499 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 499 I C -0.058 175.867 176.117 -0.320 0.000 1.075 499 I CA -0.166 60.946 61.300 -0.313 0.000 1.333 499 I CB 0.051 37.770 38.000 -0.468 0.000 1.415 499 I HN 0.598 nan 8.210 nan 0.000 0.502 500 C N 5.417 124.549 119.300 -0.281 0.000 3.273 500 C HA 0.504 4.964 4.460 -0.000 0.000 0.227 500 C C -2.192 172.665 174.990 -0.222 0.000 1.409 500 C CA -2.267 56.627 59.018 -0.208 0.000 1.516 500 C CB -0.888 26.785 27.740 -0.111 0.000 1.853 500 C HN 0.408 nan 8.230 nan 0.000 0.472 501 P HA 0.439 nan 4.420 nan 0.000 0.275 501 P C -0.514 176.719 177.300 -0.112 0.000 1.266 501 P CA -0.032 62.956 63.100 -0.186 0.000 0.793 501 P CB 0.693 32.282 31.700 -0.186 0.000 1.074 502 M N -0.893 118.670 119.600 -0.062 0.000 2.204 502 M HA 0.483 4.963 4.480 -0.000 0.000 0.293 502 M C -1.083 175.201 176.300 -0.025 0.000 0.994 502 M CA -0.633 54.546 55.300 -0.203 0.000 0.925 502 M CB 1.653 34.088 32.600 -0.275 0.000 1.577 502 M HN 0.353 nan 8.290 nan 0.000 0.439 503 Y N -0.326 120.123 120.300 0.249 0.000 4.569 503 Y HA -0.197 4.353 4.550 -0.000 0.000 0.237 503 Y C 0.488 176.542 175.900 0.256 0.000 1.090 503 Y CA 0.414 58.663 58.100 0.249 0.000 2.052 503 Y CB -2.165 36.412 38.460 0.195 0.000 1.621 503 Y HN 1.006 nan 8.280 nan 0.000 0.682 504 A N 1.091 124.119 122.820 0.345 0.000 2.425 504 A HA 0.616 4.936 4.320 -0.000 0.000 0.249 504 A C 0.671 178.452 177.584 0.330 0.000 1.084 504 A CA -0.377 51.864 52.037 0.339 0.000 0.781 504 A CB 0.413 19.639 19.000 0.376 0.000 1.019 504 A HN 0.408 nan 8.150 nan 0.000 0.490 505 R N 1.128 121.757 120.500 0.216 0.000 2.543 505 R HA 0.359 4.699 4.340 -0.000 0.000 0.268 505 R C 1.096 177.364 176.300 -0.054 0.000 1.067 505 R CA -0.685 55.477 56.100 0.102 0.000 1.142 505 R CB 0.763 31.100 30.300 0.062 0.000 1.110 505 R HN 0.481 nan 8.270 nan 0.000 0.549 506 V N 0.672 120.408 119.914 -0.298 0.000 2.270 506 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 506 V C 0.868 176.845 176.094 -0.195 0.000 1.043 506 V CA 1.899 63.972 62.300 -0.377 0.000 1.014 506 V CB -0.227 31.264 31.823 -0.553 0.000 0.645 506 V HN 0.768 nan 8.190 nan 0.000 0.447 507 D N -1.424 118.896 120.400 -0.134 0.000 2.474 507 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 507 D C 0.748 177.029 176.300 -0.031 0.000 1.120 507 D CA 0.050 54.004 54.000 -0.077 0.000 0.836 507 D CB 0.947 41.707 40.800 -0.068 0.000 1.019 507 D HN 0.553 nan 8.370 nan 0.000 0.507 508 E N 1.604 121.793 120.200 -0.019 0.000 2.179 508 E HA 0.197 4.547 4.350 -0.000 0.000 0.275 508 E C -1.035 175.569 176.600 0.007 0.000 0.945 508 E CA -0.621 55.776 56.400 -0.005 0.000 0.792 508 E CB 1.462 31.158 29.700 -0.006 0.000 1.125 508 E HN -0.278 nan 8.360 nan 0.000 0.397 509 D N 3.238 123.639 120.400 0.002 0.000 2.225 509 D HA 0.183 4.823 4.640 -0.000 0.000 0.249 509 D C -0.752 175.450 176.300 -0.164 0.000 1.052 509 D CA -0.025 53.968 54.000 -0.012 0.000 0.909 509 D CB 1.409 42.261 40.800 0.087 0.000 1.186 509 D HN 0.382 nan 8.370 nan 0.000 0.431 510 Q N 1.557 121.149 119.800 -0.347 0.000 2.616 510 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 510 Q C -2.343 173.003 176.000 -1.090 0.000 0.991 510 Q CA -1.644 53.746 55.803 -0.688 0.000 0.707 510 Q CB 2.455 30.806 28.738 -0.645 0.000 1.247 510 Q HN 0.119 nan 8.270 nan 0.000 0.491 511 P HA 0.067 nan 4.420 nan 0.000 0.220 511 P C -0.853 176.092 177.300 -0.592 0.000 1.806 511 P CA -0.135 62.539 63.100 -0.709 0.000 0.976 511 P CB -0.529 30.957 31.700 -0.357 0.000 1.952 512 F N 2.440 122.237 119.950 -0.254 0.000 2.459 512 F HA 0.262 4.789 4.527 -0.000 0.000 0.346 512 F C -1.217 174.477 175.800 -0.177 0.000 1.128 512 F CA -2.627 55.270 58.000 -0.171 0.000 1.268 512 F CB -0.452 38.464 39.000 -0.140 0.000 1.161 512 F HN 0.054 nan 8.300 nan 0.000 0.583 513 P HA 0.033 nan 4.420 nan 0.000 0.266 513 P C 0.387 177.701 177.300 0.025 0.000 1.195 513 P CA 0.968 64.084 63.100 0.026 0.000 0.768 513 P CB 1.013 32.729 31.700 0.028 0.000 0.838 514 A N 2.838 125.658 122.820 0.000 0.000 3.292 514 A HA -0.258 4.062 4.320 -0.000 0.000 0.241 514 A C 0.715 178.293 177.584 -0.009 0.000 0.569 514 A CA 2.177 54.216 52.037 0.003 0.000 1.149 514 A CB -2.677 16.329 19.000 0.010 0.000 1.321 514 A HN 0.751 nan 8.150 nan 0.000 0.679 515 V N -3.561 116.351 119.914 -0.004 0.000 2.546 515 V HA 0.574 4.694 4.120 -0.000 0.000 0.260 515 V C -2.666 173.431 176.094 0.004 0.000 0.933 515 V CA -1.251 61.042 62.300 -0.011 0.000 0.994 515 V CB 0.898 32.724 31.823 0.005 0.000 1.160 515 V HN 0.439 nan 8.190 nan 0.000 0.523 516 P HA 0.345 nan 4.420 nan 0.000 0.274 516 P C -0.728 176.126 177.300 -0.743 0.000 1.231 516 P CA 0.051 62.796 63.100 -0.592 0.000 0.790 516 P CB 0.966 31.918 31.700 -1.248 0.000 0.951 517 K N 2.128 122.144 120.400 -0.640 0.000 2.464 517 K HA 0.243 4.563 4.320 -0.000 0.000 0.252 517 K C -0.482 175.839 176.600 -0.464 0.000 1.000 517 K CA -0.286 55.789 56.287 -0.354 0.000 0.951 517 K CB 0.635 33.223 32.500 0.147 0.000 1.183 517 K HN 0.476 nan 8.250 nan 0.000 0.445 518 W N 1.561 122.587 121.300 -0.456 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.333 177.870 176.519 0.030 0.000 1.279 518 W CA -0.652 56.514 57.345 -0.297 0.000 1.259 518 W CB 0.516 29.642 29.460 -0.557 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.203 119.067 115.700 0.273 0.000 2.558 519 S HA -0.067 4.403 4.470 -0.000 0.000 0.288 519 S C 1.133 175.876 174.600 0.239 0.000 1.318 519 S CA -0.229 58.071 58.200 0.167 0.000 1.056 519 S CB 0.259 63.491 63.200 0.054 0.000 0.853 519 S HN 0.549 nan 8.310 nan 0.000 0.505 520 I N 1.428 122.097 120.570 0.165 0.000 2.361 520 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 520 I C 1.866 178.005 176.117 0.036 0.000 1.133 520 I CA 1.228 62.624 61.300 0.160 0.000 1.413 520 I CB -0.572 37.462 38.000 0.056 0.000 1.073 520 I HN 0.653 nan 8.210 nan 0.000 0.424 521 K N 1.943 122.272 120.400 -0.118 0.000 2.148 521 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 521 K C 2.153 178.737 176.600 -0.027 0.000 1.050 521 K CA 1.532 57.680 56.287 -0.231 0.000 0.942 521 K CB -0.283 31.986 32.500 -0.386 0.000 0.724 521 K HN 0.437 nan 8.250 nan 0.000 0.446 522 K N 0.679 121.088 120.400 0.015 0.000 2.062 522 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 522 K C 1.931 178.539 176.600 0.013 0.000 1.051 522 K CA 0.644 56.920 56.287 -0.018 0.000 0.941 522 K CB -0.090 32.364 32.500 -0.076 0.000 0.719 522 K HN 0.172 nan 8.250 nan 0.000 0.440 523 W N 2.084 123.345 121.300 -0.064 0.000 2.321 523 W HA -0.232 4.428 4.660 -0.000 0.000 0.306 523 W C 1.559 178.043 176.519 -0.060 0.000 1.217 523 W CA 1.338 58.658 57.345 -0.042 0.000 1.257 523 W CB -0.662 28.876 29.460 0.129 0.000 1.145 523 W HN 0.137 nan 8.180 nan 0.000 0.509 524 L N 0.793 122.163 121.223 0.245 0.000 2.081 524 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 524 L C 2.540 179.466 176.870 0.093 0.000 1.080 524 L CA 2.090 57.009 54.840 0.131 0.000 0.754 524 L CB -1.014 41.103 42.059 0.097 0.000 0.893 524 L HN 0.027 nan 8.230 nan 0.000 0.433 525 S N -1.036 114.698 115.700 0.056 0.000 2.593 525 S HA 0.131 4.601 4.470 -0.000 0.000 0.217 525 S C 0.745 175.320 174.600 -0.041 0.000 0.966 525 S CA -0.461 57.744 58.200 0.008 0.000 0.914 525 S CB -0.480 62.720 63.200 -0.001 0.000 0.776 525 S HN 0.199 nan 8.310 nan 0.000 0.523 526 L N 2.192 123.379 121.223 -0.060 0.000 2.506 526 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 526 L C -2.213 174.624 176.870 -0.055 0.000 1.228 526 L CA -1.720 53.047 54.840 -0.122 0.000 0.850 526 L CB -0.438 41.514 42.059 -0.178 0.000 1.110 526 L HN 0.045 nan 8.230 nan 0.000 0.496 527 P HA 0.001 nan 4.420 nan 0.000 0.260 527 P C 0.835 178.126 177.300 -0.015 0.000 1.185 527 P CA 0.991 64.067 63.100 -0.040 0.000 0.763 527 P CB 0.694 32.365 31.700 -0.048 0.000 0.776 528 G N 2.042 110.840 108.800 -0.003 0.000 2.253 528 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.251 528 G C 0.313 175.227 174.900 0.023 0.000 0.998 528 G CA 0.135 45.241 45.100 0.010 0.000 0.621 528 G HN 0.627 nan 8.290 nan 0.000 0.524 529 E N 1.209 121.429 120.200 0.032 0.000 2.392 529 E HA 0.544 4.894 4.350 -0.000 0.000 0.264 529 E C 1.406 178.028 176.600 0.037 0.000 1.024 529 E CA 0.992 57.424 56.400 0.053 0.000 0.903 529 E CB 0.784 30.545 29.700 0.101 0.000 0.963 529 E HN 0.669 nan 8.360 nan 0.000 0.432 530 T N 0.525 115.097 114.554 0.030 0.000 3.092 530 T HA 0.302 4.652 4.350 -0.000 0.000 0.273 530 T C 0.579 175.286 174.700 0.011 0.000 0.898 530 T CA -0.453 61.659 62.100 0.020 0.000 0.868 530 T CB 0.042 68.921 68.868 0.019 0.000 1.228 530 T HN 0.276 nan 8.240 nan 0.000 0.555 531 R N 2.166 122.668 120.500 0.004 0.000 2.707 531 R HA 0.467 4.807 4.340 -0.000 0.000 0.270 531 R C -2.562 173.716 176.300 -0.036 0.000 1.083 531 R CA -1.574 54.518 56.100 -0.014 0.000 1.182 531 R CB 0.039 30.325 30.300 -0.025 0.000 1.084 531 R HN 0.244 nan 8.270 nan 0.000 0.528 532 P HA 0.132 nan 4.420 nan 0.000 0.279 532 P C -1.340 175.891 177.300 -0.115 0.000 1.252 532 P CA -0.411 62.647 63.100 -0.071 0.000 0.811 532 P CB 0.653 32.312 31.700 -0.068 0.000 1.035 533 L N 1.934 123.070 121.223 -0.146 0.000 2.356 533 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 533 L C -1.378 175.354 176.870 -0.230 0.000 0.996 533 L CA -0.294 54.422 54.840 -0.206 0.000 0.822 533 L CB 0.854 42.754 42.059 -0.265 0.000 1.256 533 L HN 0.221 nan 8.230 nan 0.000 0.413 534 I N 5.456 125.893 120.570 -0.223 0.000 2.512 534 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 534 I C -0.969 175.048 176.117 -0.166 0.000 1.069 534 I CA -0.638 60.520 61.300 -0.236 0.000 1.056 534 I CB 2.071 39.983 38.000 -0.146 0.000 1.229 534 I HN 0.546 nan 8.210 nan 0.000 0.429 535 L N 5.475 126.569 121.223 -0.214 0.000 2.360 535 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 535 L C 1.421 178.354 176.870 0.105 0.000 1.121 535 L CA -0.263 54.513 54.840 -0.106 0.000 0.845 535 L CB 0.861 42.824 42.059 -0.161 0.000 1.143 535 L HN 0.868 nan 8.230 nan 0.000 0.452 536 C N 0.342 119.690 119.300 0.079 0.000 2.446 536 C HA 0.113 4.573 4.460 -0.000 0.000 0.279 536 C C 0.620 175.742 174.990 0.221 0.000 1.366 536 C CA -0.092 59.020 59.018 0.157 0.000 1.763 536 C CB -0.956 26.787 27.740 0.005 0.000 1.929 536 C HN 0.822 nan 8.230 nan 0.000 0.509 537 E N -0.782 119.471 120.200 0.089 0.000 2.321 537 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 537 E C -1.379 175.141 176.600 -0.134 0.000 0.910 537 E CA -0.358 56.072 56.400 0.052 0.000 0.770 537 E CB 1.919 31.475 29.700 -0.241 0.000 1.225 537 E HN 0.689 nan 8.360 nan 0.000 0.417 538 Y N -0.824 119.441 120.300 -0.059 0.000 2.677 538 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 538 Y C -0.805 175.262 175.900 0.278 0.000 1.196 538 Y CA -0.755 57.346 58.100 0.001 0.000 1.059 538 Y CB 0.993 39.362 38.460 -0.152 0.000 1.315 538 Y HN 0.679 nan 8.280 nan 0.000 0.455 539 A N 2.145 125.032 122.820 0.111 0.000 2.360 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.289 539 A C -0.324 177.391 177.584 0.218 0.000 1.437 539 A CA 1.000 53.080 52.037 0.071 0.000 0.734 539 A CB -2.532 16.343 19.000 -0.209 0.000 1.145 539 A HN 1.137 nan 8.150 nan 0.000 0.374 540 H N 0.580 119.822 119.070 0.287 0.000 3.248 540 H HA 0.174 4.730 4.556 -0.000 0.000 0.258 540 H C 1.242 176.652 175.328 0.137 0.000 0.923 540 H CA 0.811 57.044 56.048 0.308 0.000 1.416 540 H CB 0.335 30.174 29.762 0.128 0.000 1.523 540 H HN 0.861 nan 8.280 nan 0.000 0.528 541 A N 6.452 129.192 122.820 -0.132 0.000 2.543 541 A HA 0.034 4.354 4.320 -0.000 0.000 0.258 541 A C 0.966 178.399 177.584 -0.251 0.000 1.391 541 A CA -0.344 51.577 52.037 -0.192 0.000 1.066 541 A CB -0.573 18.301 19.000 -0.210 0.000 0.972 541 A HN 0.794 nan 8.150 nan 0.000 0.560 542 M N 1.525 120.952 119.600 -0.289 0.000 2.341 542 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 542 M C 1.046 177.183 176.300 -0.273 0.000 1.489 542 M CA 1.269 56.409 55.300 -0.267 0.000 1.278 542 M CB -0.523 31.956 32.600 -0.201 0.000 1.657 542 M HN 0.802 nan 8.290 nan 0.000 0.455 543 G N 4.309 112.937 108.800 -0.288 0.000 2.527 543 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.268 543 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.268 543 G C -0.148 174.283 174.900 -0.782 0.000 1.175 543 G CA 0.022 44.793 45.100 -0.548 0.000 0.962 543 G HN 0.793 nan 8.290 nan 0.000 0.560 544 N N 1.525 119.582 118.700 -1.072 0.000 2.549 544 N HA 0.491 5.231 4.740 -0.000 0.000 0.267 544 N C 0.030 175.285 175.510 -0.424 0.000 1.182 544 N CA 1.121 53.707 53.050 -0.773 0.000 1.019 544 N CB 0.277 38.334 38.487 -0.717 0.000 1.380 544 N HN 0.741 nan 8.380 nan 0.000 0.505 545 S N 1.589 117.120 115.700 -0.281 0.000 2.998 545 S HA 0.619 5.089 4.470 -0.000 0.000 0.323 545 S C -0.017 174.506 174.600 -0.129 0.000 1.141 545 S CA -0.383 57.705 58.200 -0.186 0.000 0.873 545 S CB 0.287 63.399 63.200 -0.147 0.000 1.315 545 S HN 0.352 nan 8.310 nan 0.000 0.637 546 L N 0.103 121.279 121.223 -0.078 0.000 4.793 546 L HA -0.059 4.281 4.340 -0.000 0.000 0.404 546 L C 0.488 177.381 176.870 0.038 0.000 1.022 546 L CA 0.955 55.766 54.840 -0.048 0.000 1.242 546 L CB -1.808 40.142 42.059 -0.182 0.000 2.049 546 L HN 0.709 nan 8.230 nan 0.000 0.637 547 G N -0.877 107.921 108.800 -0.003 0.000 2.365 547 G HA2 0.482 4.442 3.960 -0.000 0.000 0.249 547 G HA3 0.482 4.442 3.960 -0.000 0.000 0.249 547 G C 1.247 176.192 174.900 0.076 0.000 1.288 547 G CA 0.219 45.303 45.100 -0.026 0.000 0.887 547 G HN 1.393 nan 8.290 nan 0.000 0.524 548 G N 1.813 110.668 108.800 0.093 0.000 2.213 548 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.236 548 G C 1.132 176.247 174.900 0.359 0.000 0.991 548 G CA 0.751 45.967 45.100 0.193 0.000 0.629 548 G HN 0.789 nan 8.290 nan 0.000 0.517 549 F N 2.197 122.283 119.950 0.228 0.000 2.085 549 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 549 F C 2.778 178.808 175.800 0.383 0.000 1.096 549 F CA 2.954 61.153 58.000 0.332 0.000 1.227 549 F CB -0.586 38.535 39.000 0.201 0.000 0.983 549 F HN 0.420 nan 8.300 nan 0.000 0.482 550 A N -0.443 122.545 122.820 0.279 0.000 1.978 550 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 550 A C 2.312 179.918 177.584 0.037 0.000 1.170 550 A CA 1.747 53.870 52.037 0.142 0.000 0.636 550 A CB -0.749 18.339 19.000 0.147 0.000 0.810 550 A HN 0.439 nan 8.150 nan 0.000 0.448 551 K N -1.546 118.869 120.400 0.024 0.000 2.074 551 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 551 K C 1.809 178.199 176.600 -0.349 0.000 1.048 551 K CA 2.047 58.261 56.287 -0.122 0.000 0.926 551 K CB -0.347 32.073 32.500 -0.133 0.000 0.713 551 K HN 0.671 nan 8.250 nan 0.000 0.444 552 Y N -0.954 119.076 120.300 -0.451 0.000 2.163 552 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 552 Y C 2.131 177.081 175.900 -1.583 0.000 1.136 552 Y CA 1.348 58.823 58.100 -1.042 0.000 1.147 552 Y CB -0.425 37.391 38.460 -1.073 0.000 0.987 552 Y HN 0.173 nan 8.280 nan 0.000 0.509 553 W N 0.619 121.491 121.300 -0.712 0.000 2.350 553 W HA -0.233 4.427 4.660 -0.000 0.000 0.289 553 W C 2.666 178.996 176.519 -0.314 0.000 1.215 553 W CA 1.937 58.976 57.345 -0.510 0.000 1.236 553 W CB -0.559 28.681 29.460 -0.367 0.000 1.130 553 W HN 0.167 nan 8.180 nan 0.000 0.541 554 Q N 0.482 120.182 119.800 -0.168 0.000 2.123 554 Q HA -0.138 4.202 4.340 -0.000 0.000 0.199 554 Q C 2.176 178.109 176.000 -0.113 0.000 0.966 554 Q CA 1.813 57.565 55.803 -0.085 0.000 0.845 554 Q CB -0.486 28.229 28.738 -0.039 0.000 0.907 554 Q HN 0.214 nan 8.270 nan 0.000 0.439 555 A N 0.753 123.412 122.820 -0.269 0.000 1.902 555 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 555 A C 1.935 179.488 177.584 -0.053 0.000 1.181 555 A CA 1.162 53.082 52.037 -0.196 0.000 0.623 555 A CB -1.112 17.646 19.000 -0.403 0.000 0.818 555 A HN 0.517 nan 8.150 nan 0.000 0.443 556 F N -0.289 119.495 119.950 -0.276 0.000 2.091 556 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 556 F C 2.754 178.464 175.800 -0.150 0.000 1.103 556 F CA 1.293 59.100 58.000 -0.322 0.000 1.228 556 F CB -0.227 38.383 39.000 -0.651 0.000 0.984 556 F HN 0.152 nan 8.300 nan 0.000 0.477 557 R N 0.080 120.648 120.500 0.112 0.000 2.148 557 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 557 R C 2.040 178.382 176.300 0.070 0.000 1.103 557 R CA 1.284 57.433 56.100 0.080 0.000 0.983 557 R CB -0.395 29.945 30.300 0.068 0.000 0.874 557 R HN 0.444 nan 8.270 nan 0.000 0.451 558 Q N -0.450 119.423 119.800 0.122 0.000 2.402 558 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 558 Q C -0.611 175.439 176.000 0.082 0.000 0.919 558 Q CA 0.487 56.350 55.803 0.100 0.000 0.923 558 Q CB 0.562 29.376 28.738 0.126 0.000 1.048 558 Q HN 0.179 nan 8.270 nan 0.000 0.515 559 Y N 0.494 120.778 120.300 -0.028 0.000 2.345 559 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 559 Y C -1.792 174.084 175.900 -0.041 0.000 0.959 559 Y CA -2.908 55.174 58.100 -0.030 0.000 1.204 559 Y CB 1.551 39.996 38.460 -0.025 0.000 1.135 559 Y HN 0.069 nan 8.280 nan 0.000 0.477 560 P HA -0.246 nan 4.420 nan 0.000 0.217 560 P C 1.151 178.454 177.300 0.006 0.000 1.158 560 P CA 1.855 64.961 63.100 0.010 0.000 0.887 560 P CB 0.352 32.042 31.700 -0.016 0.000 0.792 561 R N -1.115 119.406 120.500 0.035 0.000 2.323 561 R HA 0.095 4.435 4.340 -0.000 0.000 0.198 561 R C 0.572 176.850 176.300 -0.036 0.000 0.988 561 R CA 0.147 56.247 56.100 0.000 0.000 1.041 561 R CB -0.481 29.828 30.300 0.015 0.000 0.926 561 R HN 0.288 nan 8.270 nan 0.000 0.476 562 L N 1.950 123.165 121.223 -0.013 0.000 2.282 562 L HA 0.154 4.494 4.340 -0.000 0.000 0.287 562 L C 0.670 177.396 176.870 -0.240 0.000 1.075 562 L CA 0.029 54.811 54.840 -0.098 0.000 0.839 562 L CB 1.270 43.338 42.059 0.014 0.000 1.219 562 L HN 0.001 nan 8.230 nan 0.000 0.434 563 Q N 2.904 122.500 119.800 -0.339 0.000 2.212 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.213 563 Q C 0.846 176.445 176.000 -0.668 0.000 0.874 563 Q CA 0.098 55.659 55.803 -0.404 0.000 0.965 563 Q CB 0.905 29.494 28.738 -0.249 0.000 1.074 563 Q HN 0.939 nan 8.270 nan 0.000 0.473 564 G N -0.328 107.714 108.800 -1.264 0.000 2.378 564 G HA2 0.154 4.114 3.960 -0.000 0.000 0.198 564 G HA3 0.154 4.114 3.960 -0.000 0.000 0.198 564 G C -0.364 173.778 174.900 -1.263 0.000 1.223 564 G CA -0.744 43.316 45.100 -1.734 0.000 1.088 564 G HN 0.586 nan 8.290 nan 0.000 0.530 565 G N -2.214 106.082 108.800 -0.840 0.000 2.349 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.294 565 G C -1.854 172.938 174.900 -0.181 0.000 1.380 565 G CA -0.307 44.500 45.100 -0.487 0.000 0.811 565 G HN 1.152 nan 8.290 nan 0.000 0.519 566 F N 0.493 120.678 119.950 0.392 0.000 2.449 566 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 566 F C 0.715 176.822 175.800 0.512 0.000 1.127 566 F CA -0.803 57.462 58.000 0.441 0.000 0.975 566 F CB 2.157 41.315 39.000 0.264 0.000 1.146 566 F HN 0.266 nan 8.300 nan 0.000 0.444 567 V N 2.879 123.108 119.914 0.525 0.000 2.963 567 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 567 V C -0.371 175.889 176.094 0.278 0.000 1.077 567 V CA -0.444 61.964 62.300 0.180 0.000 1.124 567 V CB 1.015 32.925 31.823 0.145 0.000 0.987 567 V HN 0.786 nan 8.190 nan 0.000 0.487 568 W N 5.997 127.364 121.300 0.111 0.000 2.336 568 W HA 0.470 5.130 4.660 -0.000 0.000 0.315 568 W C -1.054 175.491 176.519 0.042 0.000 1.016 568 W CA -0.656 56.795 57.345 0.176 0.000 1.318 568 W CB 1.420 31.127 29.460 0.413 0.000 1.247 568 W HN 0.924 nan 8.180 nan 0.000 0.414 569 D N 2.602 122.646 120.400 -0.592 0.000 2.812 569 D HA 0.113 4.753 4.640 -0.000 0.000 0.318 569 D C 0.781 176.864 176.300 -0.362 0.000 1.234 569 D CA -0.551 53.007 54.000 -0.736 0.000 0.989 569 D CB 0.238 40.051 40.800 -1.645 0.000 1.442 569 D HN 0.407 nan 8.370 nan 0.000 0.537 570 W N 0.559 121.552 121.300 -0.511 0.000 2.348 570 W HA 0.034 4.694 4.660 -0.000 0.000 0.324 570 W C -0.069 176.223 176.519 -0.378 0.000 1.209 570 W CA 1.485 58.584 57.345 -0.409 0.000 1.275 570 W CB 0.116 29.369 29.460 -0.345 0.000 1.175 570 W HN 0.203 nan 8.180 nan 0.000 0.461 571 V N 0.912 120.623 119.914 -0.338 0.000 2.919 571 V HA 0.296 4.416 4.120 -0.000 0.000 0.316 571 V C -0.448 175.452 176.094 -0.323 0.000 1.077 571 V CA -1.107 60.931 62.300 -0.436 0.000 0.977 571 V CB 1.349 33.051 31.823 -0.203 0.000 1.039 571 V HN -0.084 nan 8.190 nan 0.000 0.441 572 D N 1.579 121.808 120.400 -0.286 0.000 2.382 572 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 572 D C -0.024 176.129 176.300 -0.244 0.000 1.120 572 D CA 0.203 54.082 54.000 -0.202 0.000 0.890 572 D CB 1.349 42.119 40.800 -0.050 0.000 1.201 572 D HN 0.607 nan 8.370 nan 0.000 0.433 573 Q N 0.996 120.586 119.800 -0.350 0.000 3.207 573 Q HA 0.154 4.494 4.340 -0.000 0.000 0.335 573 Q C -0.348 175.602 176.000 -0.083 0.000 1.374 573 Q CA -0.343 55.042 55.803 -0.696 0.000 1.023 573 Q CB 0.246 28.650 28.738 -0.556 0.000 1.576 573 Q HN 0.355 nan 8.270 nan 0.000 0.515 574 S N 0.024 115.804 115.700 0.133 0.000 2.549 574 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 574 S C -0.282 174.493 174.600 0.292 0.000 1.115 574 S CA -0.815 57.568 58.200 0.305 0.000 1.059 574 S CB 1.562 64.908 63.200 0.243 0.000 1.046 574 S HN 0.318 nan 8.310 nan 0.000 0.506 575 L N 1.767 123.081 121.223 0.152 0.000 2.322 575 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 575 L C -0.432 176.336 176.870 -0.170 0.000 1.012 575 L CA -1.136 53.664 54.840 -0.067 0.000 0.815 575 L CB 1.429 43.332 42.059 -0.260 0.000 1.295 575 L HN 0.630 nan 8.230 nan 0.000 0.438 576 I N 1.337 121.748 120.570 -0.265 0.000 2.440 576 I HA 0.297 4.467 4.170 -0.000 0.000 0.294 576 I C -0.017 175.708 176.117 -0.655 0.000 0.995 576 I CA 0.008 61.022 61.300 -0.477 0.000 1.306 576 I CB 1.076 38.820 38.000 -0.428 0.000 1.407 576 I HN 0.511 nan 8.210 nan 0.000 0.501 577 K N 4.236 123.942 120.400 -1.156 0.000 2.466 577 K HA 0.584 4.904 4.320 -0.000 0.000 0.260 577 K C -1.781 174.078 176.600 -1.235 0.000 1.011 577 K CA -0.874 54.710 56.287 -1.171 0.000 0.871 577 K CB 2.340 33.886 32.500 -1.590 0.000 1.404 577 K HN 0.257 nan 8.250 nan 0.000 0.450 578 Y N 0.470 120.618 120.300 -0.253 0.000 2.499 578 Y HA 0.181 4.731 4.550 -0.000 0.000 0.347 578 Y C -0.076 176.006 175.900 0.304 0.000 0.987 578 Y CA -1.088 57.047 58.100 0.059 0.000 1.044 578 Y CB 1.376 39.845 38.460 0.015 0.000 1.245 578 Y HN 0.647 nan 8.280 nan 0.000 0.461 579 D N 0.100 120.794 120.400 0.489 0.000 2.388 579 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 579 D C 0.966 177.389 176.300 0.204 0.000 1.111 579 D CA -0.569 53.610 54.000 0.298 0.000 0.993 579 D CB 0.690 41.593 40.800 0.171 0.000 1.118 579 D HN 0.629 nan 8.370 nan 0.000 0.502 580 E N 0.869 121.139 120.200 0.117 0.000 2.219 580 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 580 E C 0.213 176.851 176.600 0.063 0.000 0.998 580 E CA 1.092 57.534 56.400 0.070 0.000 0.818 580 E CB -0.799 28.923 29.700 0.037 0.000 0.741 580 E HN 0.484 nan 8.360 nan 0.000 0.477 581 N N 1.121 119.867 118.700 0.077 0.000 2.421 581 N HA 0.126 4.866 4.740 -0.000 0.000 0.201 581 N C 0.845 176.409 175.510 0.089 0.000 1.198 581 N CA 0.836 53.926 53.050 0.066 0.000 0.838 581 N CB 0.255 38.775 38.487 0.056 0.000 1.011 581 N HN 0.411 nan 8.380 nan 0.000 0.463 582 G N 0.681 109.551 108.800 0.116 0.000 2.249 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.273 582 G C -0.439 174.641 174.900 0.299 0.000 1.036 582 G CA -0.265 44.910 45.100 0.124 0.000 0.824 582 G HN 0.305 nan 8.290 nan 0.000 0.504 583 N N 1.113 120.011 118.700 0.331 0.000 2.438 583 N HA 0.499 5.239 4.740 -0.000 0.000 0.282 583 N C -2.472 173.233 175.510 0.325 0.000 1.037 583 N CA -1.489 51.747 53.050 0.309 0.000 0.942 583 N CB 2.057 40.666 38.487 0.203 0.000 1.136 583 N HN 0.140 nan 8.380 nan 0.000 0.481 584 P HA 0.327 nan 4.420 nan 0.000 0.284 584 P C -0.585 176.641 177.300 -0.125 0.000 1.253 584 P CA -0.366 62.475 63.100 -0.432 0.000 0.800 584 P CB 0.674 32.161 31.700 -0.355 0.000 0.961 585 W N -0.211 120.830 121.300 -0.432 0.000 3.296 585 W HA 0.372 5.032 4.660 -0.000 0.000 0.314 585 W C -1.475 174.848 176.519 -0.328 0.000 1.238 585 W CA -0.995 56.122 57.345 -0.379 0.000 1.193 585 W CB 0.194 29.290 29.460 -0.608 0.000 1.383 585 W HN 0.140 nan 8.180 nan 0.000 0.545 586 S N 1.934 117.636 115.700 0.002 0.000 2.488 586 S HA 0.539 5.009 4.470 -0.000 0.000 0.278 586 S C 0.264 174.967 174.600 0.172 0.000 1.259 586 S CA -0.160 58.053 58.200 0.021 0.000 1.061 586 S CB 0.889 64.165 63.200 0.125 0.000 0.910 586 S HN 0.655 nan 8.310 nan 0.000 0.491 587 A N 2.818 125.619 122.820 -0.033 0.000 2.311 587 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 587 A C -0.621 177.222 177.584 0.431 0.000 1.139 587 A CA -0.789 51.297 52.037 0.082 0.000 0.830 587 A CB 0.717 19.542 19.000 -0.290 0.000 1.234 587 A HN 0.878 nan 8.150 nan 0.000 0.483 588 Y N -1.102 119.525 120.300 0.545 0.000 2.974 588 Y HA 0.749 5.299 4.550 -0.000 0.000 0.310 588 Y C 0.592 176.833 175.900 0.567 0.000 1.526 588 Y CA -1.326 57.077 58.100 0.505 0.000 1.087 588 Y CB -0.035 38.541 38.460 0.194 0.000 1.404 588 Y HN 0.999 nan 8.280 nan 0.000 0.491 589 G N 0.084 109.266 108.800 0.635 0.000 2.187 589 G HA2 0.356 4.316 3.960 -0.000 0.000 0.239 589 G HA3 0.356 4.316 3.960 -0.000 0.000 0.239 589 G C 1.027 176.263 174.900 0.559 0.000 1.200 589 G CA 0.574 45.992 45.100 0.531 0.000 0.888 589 G HN 2.040 nan 8.290 nan 0.000 0.482 590 G N 2.307 111.401 108.800 0.491 0.000 2.234 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 590 G C 0.917 176.033 174.900 0.361 0.000 0.987 590 G CA 0.765 46.095 45.100 0.383 0.000 0.625 590 G HN 0.671 nan 8.290 nan 0.000 0.532 591 D N -0.324 120.328 120.400 0.420 0.000 2.378 591 D HA 0.110 4.750 4.640 -0.000 0.000 0.222 591 D C 1.264 177.460 176.300 -0.174 0.000 0.980 591 D CA 0.625 54.714 54.000 0.148 0.000 0.907 591 D CB -0.207 40.639 40.800 0.078 0.000 0.899 591 D HN 0.479 nan 8.370 nan 0.000 0.527 592 F N -1.042 119.029 119.950 0.203 0.000 2.698 592 F HA 0.332 4.859 4.527 -0.000 0.000 0.304 592 F C 1.746 177.635 175.800 0.150 0.000 1.108 592 F CA -0.357 57.727 58.000 0.141 0.000 1.263 592 F CB 0.515 39.591 39.000 0.126 0.000 1.013 592 F HN -0.078 nan 8.300 nan 0.000 0.532 593 G N 0.602 109.565 108.800 0.271 0.000 2.175 593 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.265 593 G C -0.067 174.978 174.900 0.242 0.000 0.979 593 G CA 0.323 45.550 45.100 0.212 0.000 0.663 593 G HN 0.461 nan 8.290 nan 0.000 0.533 594 D N 0.531 121.130 120.400 0.332 0.000 2.450 594 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 594 D C -0.015 176.418 176.300 0.221 0.000 1.162 594 D CA 0.656 54.838 54.000 0.304 0.000 0.879 594 D CB 1.129 42.171 40.800 0.403 0.000 1.163 594 D HN 0.072 nan 8.370 nan 0.000 0.472 595 T N 2.389 117.041 114.554 0.164 0.000 2.952 595 T HA 0.460 4.810 4.350 -0.000 0.000 0.305 595 T C -2.358 172.383 174.700 0.069 0.000 1.064 595 T CA -0.945 61.219 62.100 0.107 0.000 1.008 595 T CB 2.002 70.928 68.868 0.097 0.000 1.078 595 T HN 0.389 nan 8.240 nan 0.000 0.459 596 P HA 0.530 nan 4.420 nan 0.000 0.279 596 P C -1.099 176.191 177.300 -0.016 0.000 1.276 596 P CA -0.666 62.436 63.100 0.002 0.000 0.801 596 P CB 0.750 32.424 31.700 -0.043 0.000 1.127 597 N N -1.283 117.408 118.700 -0.016 0.000 2.732 597 N HA 0.161 4.901 4.740 -0.000 0.000 0.259 597 N C -1.272 174.202 175.510 -0.060 0.000 1.402 597 N CA -0.546 52.479 53.050 -0.041 0.000 0.829 597 N CB 1.320 39.881 38.487 0.124 0.000 1.495 597 N HN 0.211 nan 8.380 nan 0.000 0.511 598 D N 0.215 120.556 120.400 -0.098 0.000 2.772 598 D HA 0.148 4.788 4.640 -0.000 0.000 0.272 598 D C 0.595 177.125 176.300 0.384 0.000 1.314 598 D CA -0.218 53.800 54.000 0.031 0.000 0.835 598 D CB 0.845 41.489 40.800 -0.260 0.000 1.080 598 D HN 0.590 nan 8.370 nan 0.000 0.482 599 R N 0.295 120.997 120.500 0.337 0.000 3.587 599 R HA -0.366 3.974 4.340 -0.000 0.000 0.556 599 R C 0.945 177.241 176.300 -0.007 0.000 0.241 599 R CA 1.456 57.727 56.100 0.284 0.000 1.724 599 R CB -1.359 29.017 30.300 0.127 0.000 0.885 599 R HN 0.067 nan 8.270 nan 0.000 0.613 600 Q N 0.643 120.125 119.800 -0.529 0.000 2.437 600 Q HA 0.104 4.444 4.340 -0.000 0.000 0.210 600 Q C 1.810 177.526 176.000 -0.474 0.000 0.972 600 Q CA 1.532 56.862 55.803 -0.788 0.000 0.903 600 Q CB -0.223 27.921 28.738 -0.990 0.000 0.967 600 Q HN 0.436 nan 8.270 nan 0.000 0.486 601 F N 0.680 120.527 119.950 -0.172 0.000 2.271 601 F HA -0.251 4.276 4.527 -0.000 0.000 0.302 601 F C 1.876 177.625 175.800 -0.085 0.000 1.063 601 F CA 1.043 59.031 58.000 -0.020 0.000 1.362 601 F CB -0.441 38.611 39.000 0.087 0.000 1.060 601 F HN 0.325 nan 8.300 nan 0.000 0.521 602 C N -1.378 117.668 119.300 -0.423 0.000 2.539 602 C HA 0.180 4.640 4.460 -0.000 0.000 0.271 602 C C 1.003 175.797 174.990 -0.327 0.000 1.412 602 C CA -0.485 58.136 59.018 -0.663 0.000 1.729 602 C CB -1.893 24.946 27.740 -1.502 0.000 1.739 602 C HN 0.204 nan 8.230 nan 0.000 0.570 603 M N 3.158 122.605 119.600 -0.255 0.000 2.060 603 M HA 0.321 4.801 4.480 -0.000 0.000 0.342 603 M C -0.432 175.754 176.300 -0.191 0.000 1.031 603 M CA 0.232 55.414 55.300 -0.197 0.000 0.981 603 M CB 0.394 32.901 32.600 -0.155 0.000 1.376 603 M HN 0.274 nan 8.290 nan 0.000 0.397 604 N N 1.556 120.141 118.700 -0.191 0.000 2.307 604 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 604 N C 0.177 175.483 175.510 -0.341 0.000 1.322 604 N CA -0.127 52.772 53.050 -0.252 0.000 0.861 604 N CB 1.297 39.691 38.487 -0.155 0.000 1.303 604 N HN 0.669 nan 8.380 nan 0.000 0.498 605 G N 0.037 108.597 108.800 -0.399 0.000 2.528 605 G HA2 0.471 4.431 3.960 -0.000 0.000 0.289 605 G HA3 0.471 4.431 3.960 -0.000 0.000 0.289 605 G C 0.880 175.316 174.900 -0.774 0.000 1.192 605 G CA -0.505 44.260 45.100 -0.557 0.000 0.921 605 G HN 0.102 nan 8.290 nan 0.000 0.512 606 L N -0.413 120.352 121.223 -0.765 0.000 2.446 606 L HA 0.164 4.504 4.340 -0.000 0.000 0.219 606 L C 0.691 176.919 176.870 -1.071 0.000 1.116 606 L CA 0.237 54.628 54.840 -0.749 0.000 0.844 606 L CB -0.146 41.641 42.059 -0.454 0.000 0.970 606 L HN 0.379 nan 8.230 nan 0.000 0.457 607 V N -5.233 113.943 119.914 -1.230 0.000 3.040 607 V HA 0.471 4.591 4.120 -0.000 0.000 0.312 607 V C -0.429 175.193 176.094 -0.786 0.000 1.115 607 V CA -1.241 60.470 62.300 -0.981 0.000 0.998 607 V CB 1.710 33.012 31.823 -0.868 0.000 1.042 607 V HN -0.137 nan 8.190 nan 0.000 0.433 608 F N 1.248 121.059 119.950 -0.231 0.000 2.444 608 F HA 0.559 5.086 4.527 -0.000 0.000 0.331 608 F C 1.940 177.650 175.800 -0.151 0.000 1.167 608 F CA 0.372 58.344 58.000 -0.046 0.000 1.262 608 F CB 1.409 40.415 39.000 0.010 0.000 1.196 608 F HN 0.813 nan 8.300 nan 0.000 0.583 609 A N 1.213 124.112 122.820 0.132 0.000 1.997 609 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 609 A C 1.611 179.158 177.584 -0.063 0.000 1.172 609 A CA 2.181 54.231 52.037 0.022 0.000 0.645 609 A CB -1.148 17.895 19.000 0.071 0.000 0.813 609 A HN 0.879 nan 8.150 nan 0.000 0.454 610 D N -2.897 117.488 120.400 -0.026 0.000 2.378 610 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 610 D C 0.636 176.914 176.300 -0.037 0.000 1.012 610 D CA 0.361 54.321 54.000 -0.066 0.000 0.905 610 D CB -0.142 40.624 40.800 -0.057 0.000 0.895 610 D HN 0.255 nan 8.370 nan 0.000 0.532 611 R N -1.033 119.446 120.500 -0.036 0.000 3.515 611 R HA -0.109 4.231 4.340 -0.000 0.000 0.292 611 R C -0.781 175.506 176.300 -0.022 0.000 1.148 611 R CA 1.040 57.097 56.100 -0.071 0.000 0.786 611 R CB -3.110 27.178 30.300 -0.019 0.000 1.327 611 R HN 0.548 nan 8.270 nan 0.000 0.454 612 T N -2.142 112.460 114.554 0.079 0.000 2.779 612 T HA 0.718 5.068 4.350 -0.000 0.000 0.280 612 T C -2.471 172.372 174.700 0.238 0.000 0.987 612 T CA -2.422 59.771 62.100 0.156 0.000 0.966 612 T CB 2.434 71.389 68.868 0.145 0.000 0.933 612 T HN -0.174 nan 8.240 nan 0.000 0.442 613 P HA 0.093 nan 4.420 nan 0.000 0.267 613 P C -0.180 177.163 177.300 0.072 0.000 1.200 613 P CA -0.008 63.076 63.100 -0.026 0.000 0.772 613 P CB 0.249 31.948 31.700 -0.002 0.000 0.855 614 H N 2.935 121.802 119.070 -0.337 0.000 2.508 614 H HA 0.165 4.721 4.556 -0.000 0.000 0.344 614 H C -1.190 174.030 175.328 -0.180 0.000 1.192 614 H CA -2.122 53.713 56.048 -0.356 0.000 1.290 614 H CB 0.860 30.378 29.762 -0.406 0.000 1.571 614 H HN 0.308 nan 8.280 nan 0.000 0.555 615 P HA -0.137 nan 4.420 nan 0.000 0.218 615 P C 1.249 178.545 177.300 -0.006 0.000 1.149 615 P CA 1.277 64.362 63.100 -0.024 0.000 0.817 615 P CB -0.052 31.625 31.700 -0.038 0.000 0.785 616 A N 0.187 123.004 122.820 -0.004 0.000 1.958 616 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 616 A C 2.153 179.686 177.584 -0.085 0.000 1.178 616 A CA 1.684 53.684 52.037 -0.061 0.000 0.642 616 A CB -1.750 17.189 19.000 -0.100 0.000 0.816 616 A HN 0.167 nan 8.150 nan 0.000 0.453 617 L N 0.016 121.203 121.223 -0.060 0.000 2.089 617 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 617 L C 2.493 179.398 176.870 0.058 0.000 1.079 617 L CA 2.834 57.669 54.840 -0.008 0.000 0.758 617 L CB -1.010 41.043 42.059 -0.009 0.000 0.891 617 L HN 0.451 nan 8.230 nan 0.000 0.433 618 T N -1.334 113.259 114.554 0.065 0.000 2.708 618 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 618 T C 1.713 176.514 174.700 0.168 0.000 1.037 618 T CA 1.357 63.547 62.100 0.149 0.000 1.146 618 T CB -0.238 68.702 68.868 0.120 0.000 0.865 618 T HN 0.364 nan 8.240 nan 0.000 0.435 619 E N 1.545 121.794 120.200 0.082 0.000 2.085 619 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 619 E C 2.235 178.862 176.600 0.046 0.000 0.994 619 E CA 1.409 57.866 56.400 0.096 0.000 0.801 619 E CB -0.567 29.153 29.700 0.034 0.000 0.743 619 E HN 0.454 nan 8.360 nan 0.000 0.453 620 A N 0.993 123.739 122.820 -0.123 0.000 1.865 620 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 620 A C 2.188 179.695 177.584 -0.128 0.000 1.191 620 A CA 2.218 54.158 52.037 -0.161 0.000 0.623 620 A CB -0.775 18.114 19.000 -0.185 0.000 0.826 620 A HN 0.311 nan 8.150 nan 0.000 0.444 621 K N -1.296 119.092 120.400 -0.020 0.000 2.044 621 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 621 K C 2.065 178.577 176.600 -0.148 0.000 1.049 621 K CA 2.162 58.439 56.287 -0.017 0.000 0.927 621 K CB -0.381 32.242 32.500 0.206 0.000 0.713 621 K HN 0.649 nan 8.250 nan 0.000 0.443 622 H N 0.430 119.346 119.070 -0.256 0.000 2.293 622 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 622 H C 1.948 176.996 175.328 -0.467 0.000 1.082 622 H CA 1.990 57.690 56.048 -0.580 0.000 1.308 622 H CB -0.108 29.349 29.762 -0.508 0.000 1.375 622 H HN 0.249 nan 8.280 nan 0.000 0.495 623 Q N 0.246 119.750 119.800 -0.495 0.000 2.291 623 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 623 Q C 1.721 177.168 176.000 -0.923 0.000 0.976 623 Q CA 1.351 56.773 55.803 -0.636 0.000 0.875 623 Q CB -0.041 28.438 28.738 -0.433 0.000 0.927 623 Q HN 0.727 nan 8.270 nan 0.000 0.450 624 Q N 0.570 119.832 119.800 -0.897 0.000 2.319 624 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 624 Q C 0.066 175.511 176.000 -0.924 0.000 0.896 624 Q CA -0.265 54.884 55.803 -1.089 0.000 0.942 624 Q CB 0.304 28.425 28.738 -1.029 0.000 1.083 624 Q HN 0.465 nan 8.270 nan 0.000 0.510 625 Q N -0.417 118.980 119.800 -0.672 0.000 2.414 625 Q HA -0.060 4.280 4.340 -0.000 0.000 0.288 625 Q C -0.240 175.345 176.000 -0.691 0.000 1.086 625 Q CA 0.408 55.916 55.803 -0.493 0.000 0.943 625 Q CB 0.301 28.907 28.738 -0.221 0.000 1.282 625 Q HN 0.186 nan 8.270 nan 0.000 0.438 626 F N -0.153 119.541 119.950 -0.426 0.000 2.797 626 F HA 0.264 4.791 4.527 -0.000 0.000 0.302 626 F C -0.129 175.108 175.800 -0.939 0.000 1.130 626 F CA 0.015 57.521 58.000 -0.824 0.000 1.387 626 F CB 0.428 38.581 39.000 -1.412 0.000 1.107 626 F HN 0.344 nan 8.300 nan 0.000 0.577 627 F N 0.071 119.912 119.950 -0.180 0.000 2.532 627 F HA 0.489 5.016 4.527 -0.000 0.000 0.321 627 F C -0.235 175.230 175.800 -0.559 0.000 1.089 627 F CA -1.077 56.730 58.000 -0.321 0.000 0.926 627 F CB 1.369 40.200 39.000 -0.282 0.000 1.168 627 F HN -0.330 nan 8.300 nan 0.000 0.459 628 Q N 3.083 122.611 119.800 -0.454 0.000 2.353 628 Q HA 0.513 4.853 4.340 -0.000 0.000 0.268 628 Q C -1.458 174.199 176.000 -0.573 0.000 1.045 628 Q CA -0.643 54.894 55.803 -0.444 0.000 0.811 628 Q CB 3.054 31.684 28.738 -0.179 0.000 1.305 628 Q HN 0.539 nan 8.270 nan 0.000 0.447 629 F N 0.465 120.540 119.950 0.208 0.000 2.522 629 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 629 F C 0.549 176.585 175.800 0.392 0.000 1.077 629 F CA -0.843 57.356 58.000 0.332 0.000 0.944 629 F CB 1.905 41.224 39.000 0.531 0.000 1.175 629 F HN 0.114 nan 8.300 nan 0.000 0.468 630 R N 1.758 122.568 120.500 0.517 0.000 2.628 630 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 630 R C -2.005 174.359 176.300 0.107 0.000 0.980 630 R CA -1.174 55.126 56.100 0.334 0.000 0.891 630 R CB 2.668 33.072 30.300 0.174 0.000 1.188 630 R HN 0.554 nan 8.270 nan 0.000 0.450 631 L N 1.371 122.544 121.223 -0.083 0.000 2.333 631 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 631 L C -1.011 175.708 176.870 -0.251 0.000 1.004 631 L CA 0.086 54.652 54.840 -0.457 0.000 0.820 631 L CB 1.949 43.287 42.059 -1.201 0.000 1.247 631 L HN 0.484 nan 8.230 nan 0.000 0.416 632 S N 3.784 119.358 115.700 -0.210 0.000 2.789 632 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 632 S C 0.448 174.962 174.600 -0.143 0.000 1.153 632 S CA 0.201 58.319 58.200 -0.137 0.000 1.084 632 S CB 0.256 63.410 63.200 -0.076 0.000 1.036 632 S HN 1.462 nan 8.310 nan 0.000 0.484 633 G N 4.318 113.031 108.800 -0.144 0.000 2.620 633 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.315 633 G C 0.436 175.235 174.900 -0.169 0.000 1.179 633 G CA 0.716 45.737 45.100 -0.132 0.000 0.971 633 G HN 0.652 nan 8.290 nan 0.000 0.544 634 Q N 1.347 121.056 119.800 -0.151 0.000 2.198 634 Q HA 0.215 4.555 4.340 -0.000 0.000 0.209 634 Q C 0.011 175.896 176.000 -0.192 0.000 0.848 634 Q CA 0.667 56.362 55.803 -0.181 0.000 0.974 634 Q CB 0.842 29.491 28.738 -0.149 0.000 1.115 634 Q HN 0.569 nan 8.270 nan 0.000 0.494 635 T N 0.809 115.260 114.554 -0.171 0.000 2.797 635 T HA 0.538 4.888 4.350 -0.000 0.000 0.279 635 T C 0.082 174.685 174.700 -0.161 0.000 0.991 635 T CA -0.391 61.624 62.100 -0.142 0.000 0.979 635 T CB 1.579 70.395 68.868 -0.087 0.000 0.943 635 T HN 0.020 nan 8.240 nan 0.000 0.444 636 I N 2.403 122.901 120.570 -0.119 0.000 2.336 636 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 636 I C 0.476 176.624 176.117 0.053 0.000 0.991 636 I CA -0.662 60.600 61.300 -0.064 0.000 1.227 636 I CB 1.425 39.418 38.000 -0.012 0.000 1.366 636 I HN 0.625 nan 8.210 nan 0.000 0.466 637 E N 6.509 126.766 120.200 0.095 0.000 2.156 637 E HA 0.493 4.843 4.350 -0.000 0.000 0.279 637 E C -1.546 175.160 176.600 0.177 0.000 0.965 637 E CA -0.588 55.880 56.400 0.112 0.000 0.789 637 E CB 1.609 31.355 29.700 0.076 0.000 1.098 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 3.639 123.632 119.914 0.132 0.000 2.555 638 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 638 V C -0.158 175.954 176.094 0.031 0.000 1.038 638 V CA -0.702 61.641 62.300 0.072 0.000 0.887 638 V CB 1.912 33.809 31.823 0.123 0.000 0.991 638 V HN 0.726 nan 8.190 nan 0.000 0.434 639 T N 2.547 117.077 114.554 -0.040 0.000 2.861 639 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 639 T C -0.298 174.396 174.700 -0.010 0.000 1.003 639 T CA -0.369 61.722 62.100 -0.015 0.000 0.977 639 T CB 1.690 70.530 68.868 -0.046 0.000 0.996 639 T HN 0.681 nan 8.240 nan 0.000 0.448 640 S N 1.549 117.250 115.700 0.002 0.000 2.457 640 S HA 0.242 4.712 4.470 -0.000 0.000 0.289 640 S C 0.642 175.133 174.600 -0.181 0.000 1.163 640 S CA -0.586 57.560 58.200 -0.091 0.000 1.078 640 S CB 0.492 63.710 63.200 0.031 0.000 0.987 640 S HN 0.697 nan 8.310 nan 0.000 0.482 641 E N 3.426 123.419 120.200 -0.344 0.000 2.451 641 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 641 E C -0.860 175.592 176.600 -0.247 0.000 1.027 641 E CA -0.068 56.172 56.400 -0.266 0.000 0.914 641 E CB 0.334 29.862 29.700 -0.287 0.000 1.054 641 E HN 0.677 nan 8.360 nan 0.000 0.461 642 Y N 0.330 120.521 120.300 -0.182 0.000 2.309 642 Y HA 0.102 4.652 4.550 -0.000 0.000 0.327 642 Y C 1.401 177.137 175.900 -0.272 0.000 1.172 642 Y CA -0.307 57.658 58.100 -0.225 0.000 1.280 642 Y CB 0.997 39.301 38.460 -0.260 0.000 1.234 642 Y HN -0.033 nan 8.280 nan 0.000 0.512 643 L N 1.437 122.496 121.223 -0.272 0.000 2.408 643 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 643 L C 0.666 177.077 176.870 -0.765 0.000 1.081 643 L CA 0.745 55.171 54.840 -0.690 0.000 0.840 643 L CB 0.050 41.290 42.059 -1.365 0.000 1.002 643 L HN 0.672 nan 8.230 nan 0.000 0.468 644 F N -0.399 119.558 119.950 0.011 0.000 2.747 644 F HA 0.198 4.725 4.527 -0.000 0.000 0.305 644 F C 1.388 177.160 175.800 -0.048 0.000 1.065 644 F CA -0.805 57.173 58.000 -0.035 0.000 1.230 644 F CB 0.360 39.314 39.000 -0.076 0.000 1.027 644 F HN -0.107 nan 8.300 nan 0.000 0.607 645 R N -0.073 120.454 120.500 0.044 0.000 2.607 645 R HA 0.509 4.849 4.340 -0.000 0.000 0.261 645 R C -1.118 175.184 176.300 0.002 0.000 1.051 645 R CA -0.665 55.409 56.100 -0.043 0.000 1.110 645 R CB 0.659 30.833 30.300 -0.211 0.000 1.158 645 R HN 0.055 nan 8.270 nan 0.000 0.543 646 H N -0.414 118.627 119.070 -0.048 0.000 2.502 646 H HA 0.200 4.756 4.556 -0.000 0.000 0.338 646 H C -0.310 175.038 175.328 0.033 0.000 1.155 646 H CA -0.476 55.583 56.048 0.019 0.000 1.237 646 H CB 1.542 31.323 29.762 0.031 0.000 1.534 646 H HN 0.745 nan 8.280 nan 0.000 0.523 647 S N 2.300 117.809 115.700 -0.318 0.000 3.988 647 S HA -0.069 4.401 4.470 -0.000 0.000 0.180 647 S C 0.174 174.858 174.600 0.139 0.000 1.242 647 S CA 0.013 58.227 58.200 0.023 0.000 0.947 647 S CB -0.984 62.229 63.200 0.023 0.000 1.519 647 S HN 0.722 nan 8.310 nan 0.000 0.439 648 D N 0.303 120.805 120.400 0.171 0.000 2.319 648 D HA 0.032 4.672 4.640 -0.000 0.000 0.230 648 D C 0.422 176.783 176.300 0.101 0.000 1.094 648 D CA -0.201 53.899 54.000 0.168 0.000 0.856 648 D CB -0.233 40.658 40.800 0.151 0.000 0.915 648 D HN 0.465 nan 8.370 nan 0.000 0.517 649 N N 0.012 118.770 118.700 0.097 0.000 2.622 649 N HA 0.119 4.859 4.740 -0.000 0.000 0.293 649 N C -1.545 174.019 175.510 0.091 0.000 1.788 649 N CA -0.232 52.865 53.050 0.078 0.000 0.860 649 N CB 0.300 38.822 38.487 0.059 0.000 1.388 649 N HN -0.052 nan 8.380 nan 0.000 0.496 650 E N 0.107 120.355 120.200 0.080 0.000 2.246 650 E HA 0.435 4.785 4.350 -0.000 0.000 0.266 650 E C -1.523 175.095 176.600 0.030 0.000 0.880 650 E CA -0.604 55.824 56.400 0.046 0.000 0.762 650 E CB 1.920 31.620 29.700 0.000 0.000 1.180 650 E HN 0.064 nan 8.360 nan 0.000 0.416 651 L N 3.537 124.770 121.223 0.017 0.000 2.341 651 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 651 L C -1.470 175.426 176.870 0.042 0.000 1.005 651 L CA -0.924 53.944 54.840 0.046 0.000 0.818 651 L CB 1.521 43.608 42.059 0.047 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.069 126.377 121.223 0.142 0.000 2.276 652 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 652 L C -0.703 176.374 176.870 0.346 0.000 1.024 652 L CA 0.039 54.993 54.840 0.191 0.000 0.826 652 L CB 0.446 42.624 42.059 0.199 0.000 1.211 652 L HN 0.584 nan 8.230 nan 0.000 0.422 653 H N 5.807 124.925 119.070 0.080 0.000 2.467 653 H HA 0.383 4.939 4.556 -0.000 0.000 0.326 653 H C -1.119 174.269 175.328 0.100 0.000 1.094 653 H CA -0.735 55.316 56.048 0.006 0.000 1.253 653 H CB 0.944 30.681 29.762 -0.042 0.000 1.439 653 H HN 0.705 nan 8.280 nan 0.000 0.479 654 W N 3.609 124.980 121.300 0.118 0.000 2.929 654 W HA 0.589 5.249 4.660 -0.000 0.000 0.345 654 W C -1.482 175.072 176.519 0.058 0.000 1.151 654 W CA -1.432 55.967 57.345 0.091 0.000 1.111 654 W CB 1.622 31.127 29.460 0.076 0.000 1.449 654 W HN 0.611 nan 8.180 nan 0.000 0.572 655 M N 1.199 121.170 119.600 0.619 0.000 2.569 655 M HA 0.539 5.019 4.480 -0.000 0.000 0.287 655 M C -2.644 173.911 176.300 0.425 0.000 1.130 655 M CA -0.562 54.977 55.300 0.397 0.000 0.885 655 M CB 1.736 34.340 32.600 0.006 0.000 1.759 655 M HN 0.127 nan 8.290 nan 0.000 0.515 656 V N 2.346 122.490 119.914 0.383 0.000 2.513 656 V HA 1.043 5.163 4.120 -0.000 0.000 0.299 656 V C -0.189 176.019 176.094 0.190 0.000 1.035 656 V CA 0.048 62.521 62.300 0.287 0.000 0.889 656 V CB 1.297 33.285 31.823 0.274 0.000 0.988 656 V HN 1.150 nan 8.190 nan 0.000 0.440 657 A N 4.098 127.039 122.820 0.201 0.000 2.572 657 A HA 0.864 5.184 4.320 -0.000 0.000 0.295 657 A C -1.734 175.976 177.584 0.210 0.000 1.072 657 A CA -0.584 51.543 52.037 0.150 0.000 0.691 657 A CB 1.779 20.820 19.000 0.069 0.000 1.291 657 A HN 0.773 nan 8.150 nan 0.000 0.404 658 L N 1.452 122.765 121.223 0.151 0.000 2.280 658 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 658 L C -0.393 176.577 176.870 0.166 0.000 1.023 658 L CA 0.246 55.188 54.840 0.171 0.000 0.819 658 L CB 0.331 42.456 42.059 0.108 0.000 1.212 658 L HN 0.775 nan 8.230 nan 0.000 0.420 659 D N 4.741 125.306 120.400 0.275 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.185 177.512 176.300 0.046 0.000 1.161 659 D CA 1.588 55.732 54.000 0.240 0.000 0.653 659 D CB -1.007 39.904 40.800 0.185 0.000 1.052 659 D HN 1.171 nan 8.370 nan 0.000 0.424 660 G N -1.285 107.509 108.800 -0.010 0.000 2.213 660 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.236 660 G C 0.161 174.989 174.900 -0.120 0.000 0.991 660 G CA 0.281 45.272 45.100 -0.180 0.000 0.629 660 G HN 0.434 nan 8.290 nan 0.000 0.517 661 K N 2.208 122.588 120.400 -0.034 0.000 2.253 661 K HA 0.553 4.873 4.320 -0.000 0.000 0.277 661 K C -2.565 174.036 176.600 0.001 0.000 1.053 661 K CA -2.050 54.221 56.287 -0.027 0.000 0.892 661 K CB 1.818 34.314 32.500 -0.007 0.000 1.102 661 K HN 0.096 nan 8.250 nan 0.000 0.469 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C -0.229 177.079 177.300 0.013 0.000 1.220 662 P CA 0.037 63.132 63.100 -0.008 0.000 0.768 662 P CB 0.686 32.356 31.700 -0.049 0.000 0.848 663 L N 1.305 122.558 121.223 0.050 0.000 2.717 663 L HA 0.538 4.878 4.340 -0.000 0.000 0.239 663 L C 0.799 177.714 176.870 0.074 0.000 1.086 663 L CA 0.112 54.986 54.840 0.058 0.000 0.897 663 L CB 0.326 42.434 42.059 0.081 0.000 1.214 663 L HN 0.364 nan 8.230 nan 0.000 0.508 664 A N -0.085 122.795 122.820 0.101 0.000 2.594 664 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 664 A C -0.941 176.618 177.584 -0.041 0.000 1.056 664 A CA -0.333 51.776 52.037 0.120 0.000 0.693 664 A CB 1.411 20.620 19.000 0.349 0.000 1.278 664 A HN -0.008 nan 8.150 nan 0.000 0.408 665 S N -0.360 115.058 115.700 -0.470 0.000 2.627 665 S HA 0.983 5.453 4.470 -0.000 0.000 0.283 665 S C -0.072 173.506 174.600 -1.705 0.000 1.127 665 S CA -0.340 57.221 58.200 -1.065 0.000 0.863 665 S CB 2.026 64.873 63.200 -0.589 0.000 1.121 665 S HN 2.115 nan 8.310 nan 0.000 0.479 666 G N -0.197 107.248 108.800 -2.259 0.000 2.677 666 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 666 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 666 G C -2.159 172.204 174.900 -0.894 0.000 1.435 666 G CA -0.598 43.590 45.100 -1.520 0.000 0.826 666 G HN 0.620 nan 8.290 nan 0.000 0.491 667 E N -0.538 119.490 120.200 -0.286 0.000 2.246 667 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 667 E C -1.357 175.313 176.600 0.116 0.000 0.880 667 E CA -0.533 55.805 56.400 -0.103 0.000 0.762 667 E CB 2.593 32.191 29.700 -0.169 0.000 1.180 667 E HN 0.326 nan 8.360 nan 0.000 0.416 668 V N 5.729 125.766 119.914 0.205 0.000 2.668 668 V HA 0.432 4.552 4.120 -0.000 0.000 0.304 668 V C -2.425 173.763 176.094 0.157 0.000 1.071 668 V CA -1.842 60.569 62.300 0.185 0.000 0.894 668 V CB 2.059 34.008 31.823 0.210 0.000 1.008 668 V HN 0.623 nan 8.190 nan 0.000 0.425 669 P HA 0.254 nan 4.420 nan 0.000 0.276 669 P C -0.674 176.682 177.300 0.094 0.000 1.235 669 P CA -0.035 63.126 63.100 0.101 0.000 0.772 669 P CB 0.854 32.609 31.700 0.092 0.000 0.871 670 L N 3.115 124.380 121.223 0.070 0.000 2.350 670 L HA 0.314 4.654 4.340 -0.000 0.000 0.275 670 L C 0.510 177.428 176.870 0.080 0.000 1.099 670 L CA 0.232 55.101 54.840 0.050 0.000 0.808 670 L CB 0.573 42.609 42.059 -0.037 0.000 1.149 670 L HN 0.326 nan 8.230 nan 0.000 0.442 671 D N 2.255 122.705 120.400 0.084 0.000 2.429 671 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 671 D C -1.328 174.992 176.300 0.034 0.000 1.257 671 D CA -0.062 54.032 54.000 0.158 0.000 0.890 671 D CB 0.985 41.914 40.800 0.214 0.000 1.267 671 D HN 0.101 nan 8.370 nan 0.000 0.521 672 V N 0.520 120.266 119.914 -0.280 0.000 2.638 672 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 672 V C 0.517 176.372 176.094 -0.398 0.000 1.052 672 V CA -1.418 60.774 62.300 -0.179 0.000 0.885 672 V CB 1.424 33.268 31.823 0.035 0.000 0.999 672 V HN 0.436 nan 8.190 nan 0.000 0.424 673 A N 5.599 128.394 122.820 -0.043 0.000 2.371 673 A HA 0.769 5.089 4.320 -0.000 0.000 0.257 673 A C -2.294 175.319 177.584 0.049 0.000 1.089 673 A CA -1.535 50.565 52.037 0.105 0.000 0.794 673 A CB -0.164 18.941 19.000 0.174 0.000 1.029 673 A HN 0.741 nan 8.150 nan 0.000 0.488 674 P HA -0.044 nan 4.420 nan 0.000 0.261 674 P C -0.395 176.904 177.300 -0.001 0.000 1.165 674 P CA 0.722 63.839 63.100 0.027 0.000 0.759 674 P CB 0.139 31.837 31.700 -0.004 0.000 0.772 675 Q N -1.238 118.545 119.800 -0.028 0.000 2.452 675 Q HA -0.187 4.153 4.340 -0.000 0.000 0.248 675 Q C 0.697 176.692 176.000 -0.008 0.000 0.874 675 Q CA 1.377 57.158 55.803 -0.038 0.000 1.208 675 Q CB -2.447 26.260 28.738 -0.051 0.000 1.569 675 Q HN 0.765 nan 8.270 nan 0.000 0.579 676 G N 0.289 109.098 108.800 0.015 0.000 2.552 676 G HA2 0.615 4.575 3.960 -0.000 0.000 0.318 676 G HA3 0.615 4.575 3.960 -0.000 0.000 0.318 676 G C -0.624 174.297 174.900 0.036 0.000 1.240 676 G CA -0.674 44.444 45.100 0.031 0.000 1.002 676 G HN -0.021 nan 8.290 nan 0.000 0.493 677 K N -0.461 119.965 120.400 0.042 0.000 2.259 677 K HA 0.466 4.786 4.320 -0.000 0.000 0.249 677 K C -0.834 175.801 176.600 0.060 0.000 0.942 677 K CA -0.547 55.768 56.287 0.047 0.000 0.816 677 K CB 2.380 34.902 32.500 0.037 0.000 1.155 677 K HN 0.530 nan 8.250 nan 0.000 0.428 678 Q N 3.334 123.175 119.800 0.069 0.000 2.323 678 Q HA 0.376 4.716 4.340 -0.000 0.000 0.271 678 Q C -1.558 174.486 176.000 0.073 0.000 1.048 678 Q CA -0.674 55.173 55.803 0.074 0.000 0.792 678 Q CB 1.373 30.161 28.738 0.083 0.000 1.280 678 Q HN 0.532 nan 8.270 nan 0.000 0.441 679 L N 5.097 126.355 121.223 0.058 0.000 2.289 679 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 679 L C -0.449 176.445 176.870 0.040 0.000 1.049 679 L CA -0.679 54.187 54.840 0.044 0.000 0.804 679 L CB 1.200 43.274 42.059 0.026 0.000 1.195 679 L HN 0.625 nan 8.230 nan 0.000 0.428 680 I N 3.069 123.655 120.570 0.027 0.000 2.410 680 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 680 I C -0.288 175.802 176.117 -0.045 0.000 1.009 680 I CA -0.739 60.568 61.300 0.012 0.000 1.111 680 I CB 2.029 40.055 38.000 0.045 0.000 1.262 680 I HN 0.466 nan 8.210 nan 0.000 0.443 681 E N 6.597 126.774 120.200 -0.040 0.000 2.223 681 E HA 0.389 4.739 4.350 -0.000 0.000 0.282 681 E C -0.642 175.888 176.600 -0.116 0.000 1.046 681 E CA -0.302 56.057 56.400 -0.069 0.000 0.857 681 E CB 1.365 31.042 29.700 -0.038 0.000 1.055 681 E HN 0.470 nan 8.360 nan 0.000 0.409 682 L N 6.161 127.277 121.223 -0.178 0.000 2.312 682 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 682 L C -1.865 174.896 176.870 -0.182 0.000 1.070 682 L CA -1.903 52.775 54.840 -0.270 0.000 0.805 682 L CB 1.223 43.044 42.059 -0.397 0.000 1.174 682 L HN 0.233 nan 8.230 nan 0.000 0.434 683 P HA -0.011 nan 4.420 nan 0.000 0.270 683 P C -0.406 176.840 177.300 -0.091 0.000 1.223 683 P CA -0.321 62.738 63.100 -0.069 0.000 0.785 683 P CB 0.504 32.213 31.700 0.014 0.000 0.923 684 E N 0.998 121.170 120.200 -0.046 0.000 2.529 684 E HA 0.007 4.357 4.350 -0.000 0.000 0.259 684 E C -0.199 176.378 176.600 -0.038 0.000 0.966 684 E CA 0.287 56.660 56.400 -0.045 0.000 0.937 684 E CB 0.173 29.859 29.700 -0.023 0.000 0.923 684 E HN 0.329 nan 8.360 nan 0.000 0.468 685 L N 6.074 127.263 121.223 -0.057 0.000 2.357 685 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 685 L C -1.941 174.924 176.870 -0.008 0.000 1.080 685 L CA -2.150 52.667 54.840 -0.039 0.000 0.803 685 L CB 0.629 42.644 42.059 -0.073 0.000 1.174 685 L HN 0.357 nan 8.230 nan 0.000 0.443 686 P HA 0.113 nan 4.420 nan 0.000 0.271 686 P C -1.087 176.223 177.300 0.017 0.000 1.216 686 P CA -0.314 62.802 63.100 0.027 0.000 0.776 686 P CB 0.651 32.381 31.700 0.050 0.000 0.881 687 Q N 2.324 122.132 119.800 0.013 0.000 2.965 687 Q HA 0.278 4.618 4.340 -0.000 0.000 0.288 687 Q C -2.130 173.878 176.000 0.013 0.000 0.974 687 Q CA -1.597 54.211 55.803 0.008 0.000 0.849 687 Q CB 0.103 28.840 28.738 -0.001 0.000 1.280 687 Q HN 0.387 nan 8.270 nan 0.000 0.441 688 P HA -0.064 nan 4.420 nan 0.000 0.267 688 P C 0.048 177.360 177.300 0.019 0.000 1.195 688 P CA 0.147 63.261 63.100 0.024 0.000 0.773 688 P CB 1.269 32.990 31.700 0.034 0.000 0.837 689 E N 0.200 120.412 120.200 0.020 0.000 2.099 689 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 689 E C 0.540 177.153 176.600 0.022 0.000 0.962 689 E CA 0.494 56.905 56.400 0.018 0.000 0.826 689 E CB -0.589 29.120 29.700 0.016 0.000 0.788 689 E HN 0.530 nan 8.360 nan 0.000 0.461 690 S N 1.528 117.244 115.700 0.026 0.000 2.542 690 S HA 0.129 4.599 4.470 -0.000 0.000 0.287 690 S C 0.426 175.048 174.600 0.036 0.000 1.315 690 S CA 0.178 58.397 58.200 0.032 0.000 1.037 690 S CB 0.442 63.663 63.200 0.035 0.000 0.822 690 S HN 0.310 nan 8.310 nan 0.000 0.513 691 A N 1.390 124.235 122.820 0.041 0.000 2.322 691 A HA 0.785 5.105 4.320 -0.000 0.000 0.269 691 A C 0.864 178.485 177.584 0.061 0.000 1.094 691 A CA 0.208 52.272 52.037 0.045 0.000 0.807 691 A CB 0.003 19.031 19.000 0.047 0.000 1.047 691 A HN 1.864 nan 8.150 nan 0.000 0.487 692 G N -0.246 108.592 108.800 0.064 0.000 2.369 692 G HA2 0.320 4.280 3.960 -0.000 0.000 0.295 692 G HA3 0.320 4.280 3.960 -0.000 0.000 0.295 692 G C -1.279 173.667 174.900 0.077 0.000 1.298 692 G CA -0.890 44.266 45.100 0.093 0.000 0.940 692 G HN 0.850 nan 8.290 nan 0.000 0.536 693 Q N -0.609 119.270 119.800 0.130 0.000 2.290 693 Q HA 0.595 4.935 4.340 -0.000 0.000 0.259 693 Q C -0.667 175.419 176.000 0.143 0.000 0.941 693 Q CA -0.725 55.115 55.803 0.062 0.000 0.912 693 Q CB 2.089 30.901 28.738 0.124 0.000 1.244 693 Q HN 0.497 nan 8.270 nan 0.000 0.441 694 L N 4.028 125.225 121.223 -0.045 0.000 2.264 694 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 694 L C -1.784 175.061 176.870 -0.043 0.000 1.044 694 L CA 0.052 54.918 54.840 0.044 0.000 0.807 694 L CB 0.413 42.471 42.059 -0.002 0.000 1.192 694 L HN 0.572 nan 8.230 nan 0.000 0.425 695 W N 5.414 126.780 121.300 0.109 0.000 2.915 695 W HA 0.563 5.223 4.660 -0.000 0.000 0.337 695 W C -1.061 175.563 176.519 0.175 0.000 1.102 695 W CA -0.715 56.717 57.345 0.146 0.000 1.224 695 W CB 1.682 31.255 29.460 0.187 0.000 1.416 695 W HN 0.279 nan 8.180 nan 0.000 0.503 696 L N 2.913 124.436 121.223 0.499 0.000 2.295 696 L HA 0.811 5.151 4.340 -0.000 0.000 0.285 696 L C -0.376 176.798 176.870 0.508 0.000 1.035 696 L CA 0.096 55.198 54.840 0.437 0.000 0.806 696 L CB 1.345 43.606 42.059 0.336 0.000 1.214 696 L HN 0.368 nan 8.230 nan 0.000 0.426 697 T N 4.836 119.633 114.554 0.405 0.000 2.881 697 T HA 0.644 4.994 4.350 -0.000 0.000 0.290 697 T C -0.861 174.021 174.700 0.302 0.000 1.000 697 T CA -0.454 61.837 62.100 0.319 0.000 0.978 697 T CB 1.609 70.599 68.868 0.204 0.000 0.997 697 T HN 0.615 nan 8.240 nan 0.000 0.443 698 V N 1.544 121.592 119.914 0.222 0.000 2.715 698 V HA 0.893 5.013 4.120 -0.000 0.000 0.310 698 V C -0.626 175.523 176.094 0.091 0.000 1.054 698 V CA -1.075 61.315 62.300 0.150 0.000 0.928 698 V CB 1.927 33.754 31.823 0.007 0.000 1.007 698 V HN 0.809 nan 8.190 nan 0.000 0.437 699 R N 1.897 122.473 120.500 0.126 0.000 2.771 699 R HA 0.843 5.183 4.340 -0.000 0.000 0.274 699 R C -1.713 174.647 176.300 0.101 0.000 0.987 699 R CA -0.652 55.531 56.100 0.138 0.000 0.908 699 R CB 2.716 33.066 30.300 0.082 0.000 1.213 699 R HN 0.725 nan 8.270 nan 0.000 0.468 700 V N 3.126 123.120 119.914 0.134 0.000 2.448 700 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 700 V C -0.612 175.493 176.094 0.019 0.000 1.025 700 V CA -0.680 61.664 62.300 0.075 0.000 0.859 700 V CB 1.733 33.620 31.823 0.107 0.000 0.988 700 V HN 0.441 nan 8.190 nan 0.000 0.431 701 V N 4.224 124.093 119.914 -0.075 0.000 2.769 701 V HA 0.486 4.606 4.120 -0.000 0.000 0.312 701 V C -0.427 175.666 176.094 -0.002 0.000 1.061 701 V CA -0.845 61.405 62.300 -0.084 0.000 0.931 701 V CB 1.995 33.668 31.823 -0.251 0.000 1.010 701 V HN 0.875 nan 8.190 nan 0.000 0.433 702 Q N 3.885 123.716 119.800 0.052 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.836 174.181 176.000 0.029 0.000 1.051 702 Q CA -1.810 54.036 55.803 0.071 0.000 0.874 702 Q CB 1.810 30.622 28.738 0.122 0.000 1.207 702 Q HN 0.504 nan 8.270 nan 0.000 0.508 703 P HA -0.221 nan 4.420 nan 0.000 0.214 703 P C -0.533 176.769 177.300 0.002 0.000 1.163 703 P CA 1.404 64.513 63.100 0.015 0.000 0.889 703 P CB 0.263 31.979 31.700 0.027 0.000 0.790 704 N N -0.770 117.926 118.700 -0.007 0.000 2.473 704 N HA 0.435 5.175 4.740 -0.000 0.000 0.291 704 N C -0.223 175.244 175.510 -0.072 0.000 1.083 704 N CA -0.631 52.402 53.050 -0.028 0.000 0.951 704 N CB 0.802 39.276 38.487 -0.021 0.000 1.164 704 N HN 0.021 nan 8.380 nan 0.000 0.480 705 A N 0.743 123.511 122.820 -0.087 0.000 2.327 705 A HA 0.536 4.856 4.320 -0.000 0.000 0.255 705 A C 0.579 178.040 177.584 -0.206 0.000 1.099 705 A CA -0.102 51.841 52.037 -0.156 0.000 0.801 705 A CB 0.062 18.989 19.000 -0.122 0.000 1.062 705 A HN 0.724 nan 8.150 nan 0.000 0.496 706 T N -3.861 110.479 114.554 -0.355 0.000 2.831 706 T HA 0.613 4.963 4.350 -0.000 0.000 0.287 706 T C 0.876 175.384 174.700 -0.320 0.000 1.070 706 T CA 0.069 61.934 62.100 -0.391 0.000 1.010 706 T CB 1.102 69.488 68.868 -0.804 0.000 1.264 706 T HN 1.427 nan 8.240 nan 0.000 0.532 707 A N -0.052 122.682 122.820 -0.144 0.000 2.121 707 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 707 A C 1.558 179.254 177.584 0.186 0.000 1.154 707 A CA 1.105 53.196 52.037 0.090 0.000 0.679 707 A CB -0.866 18.282 19.000 0.246 0.000 0.795 707 A HN 0.914 nan 8.150 nan 0.000 0.458 708 W N -0.954 120.393 121.300 0.078 0.000 2.714 708 W HA 0.431 5.091 4.660 -0.000 0.000 0.353 708 W C -0.173 176.306 176.519 -0.065 0.000 0.999 708 W CA 0.439 57.792 57.345 0.013 0.000 1.629 708 W CB -1.132 28.323 29.460 -0.008 0.000 1.106 708 W HN 0.418 nan 8.180 nan 0.000 0.545 709 S N 0.233 115.447 115.700 -0.810 0.000 2.541 709 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 709 S C -0.498 173.835 174.600 -0.444 0.000 1.133 709 S CA -0.630 57.126 58.200 -0.739 0.000 0.876 709 S CB 2.770 65.124 63.200 -1.409 0.000 1.105 709 S HN 0.039 nan 8.310 nan 0.000 0.470 710 E N 0.882 120.935 120.200 -0.245 0.000 2.369 710 E HA 0.516 4.866 4.350 -0.000 0.000 0.255 710 E C 0.485 177.034 176.600 -0.085 0.000 1.172 710 E CA -0.369 55.962 56.400 -0.114 0.000 0.932 710 E CB 0.944 30.628 29.700 -0.027 0.000 1.040 710 E HN 0.882 nan 8.360 nan 0.000 0.454 711 A N -0.341 122.452 122.820 -0.046 0.000 2.351 711 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 711 A C 0.990 178.582 177.584 0.014 0.000 1.087 711 A CA 0.455 52.478 52.037 -0.024 0.000 0.798 711 A CB 0.019 19.008 19.000 -0.020 0.000 1.033 711 A HN 0.720 nan 8.150 nan 0.000 0.488 712 G N 0.012 108.825 108.800 0.022 0.000 2.147 712 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 712 G C 0.103 175.037 174.900 0.058 0.000 1.005 712 G CA 0.739 45.853 45.100 0.022 0.000 0.713 712 G HN 1.626 nan 8.290 nan 0.000 0.515 713 H N 0.169 119.229 119.070 -0.017 0.000 2.732 713 H HA 0.515 5.071 4.556 -0.000 0.000 0.351 713 H C 0.458 175.828 175.328 0.070 0.000 1.090 713 H CA -0.632 55.431 56.048 0.025 0.000 1.431 713 H CB 0.342 30.108 29.762 0.008 0.000 1.447 713 H HN 0.043 nan 8.280 nan 0.000 0.582 714 I N 4.734 125.025 120.570 -0.464 0.000 2.325 714 I HA 0.019 4.189 4.170 -0.000 0.000 0.291 714 I C 1.162 177.104 176.117 -0.292 0.000 1.019 714 I CA 0.065 61.211 61.300 -0.258 0.000 1.302 714 I CB 0.630 38.555 38.000 -0.125 0.000 1.401 714 I HN 0.829 nan 8.210 nan 0.000 0.485 715 S N 4.047 119.790 115.700 0.072 0.000 2.505 715 S HA 0.631 5.101 4.470 -0.000 0.000 0.216 715 S C 0.559 175.399 174.600 0.400 0.000 1.018 715 S CA 0.168 58.548 58.200 0.300 0.000 0.911 715 S CB 0.616 64.112 63.200 0.495 0.000 0.818 715 S HN 0.738 nan 8.310 nan 0.000 0.497 716 A N 0.498 123.584 122.820 0.443 0.000 2.605 716 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 716 A C -1.758 176.162 177.584 0.561 0.000 1.062 716 A CA -0.904 51.393 52.037 0.433 0.000 0.682 716 A CB 0.397 19.689 19.000 0.486 0.000 1.278 716 A HN 0.896 nan 8.150 nan 0.000 0.410 717 W N 0.109 121.561 121.300 0.252 0.000 3.025 717 W HA 0.821 5.481 4.660 -0.000 0.000 0.343 717 W C -1.133 175.409 176.519 0.038 0.000 1.246 717 W CA -0.658 56.725 57.345 0.064 0.000 1.178 717 W CB 1.224 30.670 29.460 -0.022 0.000 1.463 717 W HN 1.088 nan 8.180 nan 0.000 0.578 718 Q N 1.663 121.484 119.800 0.035 0.000 2.545 718 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 718 Q C -1.636 174.144 176.000 -0.367 0.000 0.975 718 Q CA -0.595 55.060 55.803 -0.245 0.000 0.876 718 Q CB 2.178 30.635 28.738 -0.468 0.000 1.472 718 Q HN 0.678 nan 8.270 nan 0.000 0.389 719 Q N 2.942 122.480 119.800 -0.436 0.000 2.456 719 Q HA 0.663 5.003 4.340 -0.000 0.000 0.283 719 Q C -1.372 174.516 176.000 -0.185 0.000 1.084 719 Q CA -0.599 55.104 55.803 -0.166 0.000 0.801 719 Q CB 1.788 30.615 28.738 0.148 0.000 1.434 719 Q HN 0.670 nan 8.270 nan 0.000 0.419 720 W N 1.503 122.999 121.300 0.327 0.000 3.033 720 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 720 W C -0.522 176.051 176.519 0.090 0.000 1.173 720 W CA -0.828 56.645 57.345 0.213 0.000 1.185 720 W CB 2.171 31.685 29.460 0.090 0.000 1.425 720 W HN 0.661 nan 8.180 nan 0.000 0.536 721 R N 2.366 122.815 120.500 -0.084 0.000 2.198 721 R HA 0.305 4.645 4.340 -0.000 0.000 0.339 721 R C 0.738 176.830 176.300 -0.346 0.000 1.020 721 R CA -0.163 55.483 56.100 -0.758 0.000 0.864 721 R CB 0.595 30.070 30.300 -1.375 0.000 1.105 721 R HN 0.593 nan 8.270 nan 0.000 0.463 722 L N 2.724 123.793 121.223 -0.257 0.000 2.049 722 L HA 0.196 4.536 4.340 -0.000 0.000 0.203 722 L C 0.939 177.712 176.870 -0.162 0.000 1.074 722 L CA 1.030 55.783 54.840 -0.145 0.000 0.749 722 L CB -0.200 41.816 42.059 -0.072 0.000 0.907 722 L HN 0.668 nan 8.230 nan 0.000 0.439 723 A N -0.824 121.883 122.820 -0.188 0.000 2.568 723 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 723 A C -1.443 176.049 177.584 -0.153 0.000 1.159 723 A CA -0.423 51.529 52.037 -0.142 0.000 0.679 723 A CB 1.921 20.873 19.000 -0.081 0.000 1.285 723 A HN 0.054 nan 8.150 nan 0.000 0.428 724 E N 0.137 120.280 120.200 -0.096 0.000 2.304 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 724 E C -1.813 174.769 176.600 -0.029 0.000 0.898 724 E CA -0.631 55.729 56.400 -0.067 0.000 0.764 724 E CB 1.376 31.032 29.700 -0.074 0.000 1.216 724 E HN 0.539 nan 8.360 nan 0.000 0.419 725 N N 4.424 123.121 118.700 -0.006 0.000 2.564 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.248 725 N C -0.650 174.871 175.510 0.018 0.000 0.986 725 N CA -0.332 52.722 53.050 0.007 0.000 0.921 725 N CB 1.072 39.568 38.487 0.015 0.000 1.136 725 N HN 0.487 nan 8.380 nan 0.000 0.509 726 L N 0.814 122.047 121.223 0.015 0.000 2.490 726 L HA 0.068 4.408 4.340 -0.000 0.000 0.274 726 L C 1.153 178.041 176.870 0.030 0.000 1.201 726 L CA 0.289 55.144 54.840 0.025 0.000 0.869 726 L CB 0.509 42.581 42.059 0.021 0.000 1.123 726 L HN 0.353 nan 8.230 nan 0.000 0.484 727 S N 2.054 117.778 115.700 0.040 0.000 2.439 727 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 727 S C 0.518 175.140 174.600 0.037 0.000 1.170 727 S CA -0.912 57.312 58.200 0.041 0.000 1.054 727 S CB 0.722 63.952 63.200 0.050 0.000 0.956 727 S HN 0.437 nan 8.310 nan 0.000 0.490 728 V N 2.790 122.723 119.914 0.031 0.000 3.177 728 V HA 0.321 4.441 4.120 -0.000 0.000 0.342 728 V C 0.775 176.887 176.094 0.029 0.000 1.379 728 V CA -0.080 62.237 62.300 0.028 0.000 1.191 728 V CB -1.148 30.689 31.823 0.023 0.000 1.167 728 V HN 0.835 nan 8.190 nan 0.000 0.471 729 T N -0.188 114.385 114.554 0.032 0.000 2.902 729 T HA 0.778 5.128 4.350 -0.000 0.000 0.280 729 T C -0.534 174.185 174.700 0.032 0.000 0.992 729 T CA -0.594 61.525 62.100 0.031 0.000 1.015 729 T CB 1.985 70.871 68.868 0.030 0.000 1.044 729 T HN 0.220 nan 8.240 nan 0.000 0.520 730 L N 1.735 122.976 121.223 0.029 0.000 2.334 730 L HA 0.568 4.908 4.340 -0.000 0.000 0.276 730 L C -2.059 174.827 176.870 0.028 0.000 1.014 730 L CA -2.115 52.742 54.840 0.029 0.000 0.815 730 L CB 0.646 42.720 42.059 0.025 0.000 1.268 730 L HN 0.578 nan 8.230 nan 0.000 0.428 731 P HA 0.271 nan 4.420 nan 0.000 0.267 731 P C -0.475 176.837 177.300 0.020 0.000 1.209 731 P CA -0.337 62.778 63.100 0.024 0.000 0.763 731 P CB 0.858 32.573 31.700 0.025 0.000 0.816 732 A N 3.303 126.133 122.820 0.017 0.000 2.406 732 A HA 0.496 4.816 4.320 -0.000 0.000 0.243 732 A C 0.710 178.301 177.584 0.012 0.000 1.082 732 A CA -0.051 51.998 52.037 0.019 0.000 0.786 732 A CB -0.258 18.754 19.000 0.020 0.000 1.029 732 A HN 0.743 nan 8.150 nan 0.000 0.495 733 A N 1.076 123.916 122.820 0.032 0.000 2.466 733 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 733 A C 0.761 178.338 177.584 -0.012 0.000 1.074 733 A CA 0.457 52.518 52.037 0.041 0.000 0.774 733 A CB -0.364 18.689 19.000 0.087 0.000 1.015 733 A HN 1.546 nan 8.150 nan 0.000 0.498 734 S N 0.150 115.842 115.700 -0.013 0.000 2.593 734 S HA 0.515 4.985 4.470 -0.000 0.000 0.297 734 S C 0.063 174.687 174.600 0.040 0.000 1.112 734 S CA -0.720 57.416 58.200 -0.107 0.000 1.043 734 S CB 0.903 64.072 63.200 -0.053 0.000 1.054 734 S HN 0.648 nan 8.310 nan 0.000 0.516 735 H N 0.240 119.320 119.070 0.016 0.000 2.539 735 H HA 0.609 5.165 4.556 -0.000 0.000 0.267 735 H C 0.654 175.989 175.328 0.012 0.000 0.982 735 H CA 0.444 56.499 56.048 0.012 0.000 1.146 735 H CB -0.295 29.473 29.762 0.010 0.000 1.382 735 H HN 0.792 nan 8.280 nan 0.000 0.577 736 A N 0.583 123.464 122.820 0.101 0.000 2.557 736 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 736 A C -1.133 176.479 177.584 0.048 0.000 1.139 736 A CA -0.714 51.364 52.037 0.069 0.000 0.665 736 A CB 1.340 20.380 19.000 0.067 0.000 1.285 736 A HN 0.205 nan 8.150 nan 0.000 0.433 737 I N -1.634 118.964 120.570 0.046 0.000 2.802 737 I HA 0.743 4.913 4.170 -0.000 0.000 0.298 737 I C -2.909 173.248 176.117 0.067 0.000 1.176 737 I CA -2.546 58.779 61.300 0.042 0.000 1.025 737 I CB 2.452 40.467 38.000 0.026 0.000 1.243 737 I HN 0.402 nan 8.210 nan 0.000 0.424 738 P HA -0.027 nan 4.420 nan 0.000 0.267 738 P C -1.306 176.086 177.300 0.154 0.000 1.195 738 P CA 0.478 63.637 63.100 0.098 0.000 0.773 738 P CB 0.148 31.860 31.700 0.019 0.000 0.837 739 H N 2.040 121.139 119.070 0.049 0.000 2.587 739 H HA 0.356 4.912 4.556 -0.000 0.000 0.325 739 H C -0.748 174.605 175.328 0.042 0.000 1.012 739 H CA -1.143 54.926 56.048 0.034 0.000 1.213 739 H CB 0.860 30.643 29.762 0.036 0.000 1.431 739 H HN 0.196 nan 8.280 nan 0.000 0.492 740 L N 4.445 125.628 121.223 -0.067 0.000 2.453 740 L HA 0.329 4.669 4.340 -0.000 0.000 0.261 740 L C -0.634 176.062 176.870 -0.290 0.000 1.179 740 L CA 0.396 55.140 54.840 -0.161 0.000 0.813 740 L CB 1.394 43.399 42.059 -0.090 0.000 1.110 740 L HN 0.746 nan 8.230 nan 0.000 0.466 741 T N 2.548 117.020 114.554 -0.136 0.000 3.548 741 T HA 0.266 4.616 4.350 -0.000 0.000 0.329 741 T C -0.397 174.358 174.700 0.092 0.000 0.960 741 T CA -0.554 61.503 62.100 -0.071 0.000 1.041 741 T CB 0.866 69.650 68.868 -0.141 0.000 1.065 741 T HN 0.725 nan 8.240 nan 0.000 0.459 742 T N 2.478 117.113 114.554 0.135 0.000 2.816 742 T HA 0.775 5.125 4.350 -0.000 0.000 0.282 742 T C 0.390 175.162 174.700 0.121 0.000 0.993 742 T CA -0.520 61.726 62.100 0.245 0.000 0.994 742 T CB 1.298 70.326 68.868 0.266 0.000 1.025 742 T HN 0.713 nan 8.240 nan 0.000 0.529 743 S N -1.067 114.677 115.700 0.074 0.000 2.703 743 S HA 0.300 4.770 4.470 -0.000 0.000 0.273 743 S C 0.422 174.996 174.600 -0.044 0.000 1.178 743 S CA -0.637 57.569 58.200 0.010 0.000 0.838 743 S CB 1.180 64.382 63.200 0.003 0.000 1.178 743 S HN 0.719 nan 8.310 nan 0.000 0.494 744 E N -0.200 119.974 120.200 -0.045 0.000 2.112 744 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 744 E C 1.426 177.959 176.600 -0.113 0.000 0.979 744 E CA 0.942 57.302 56.400 -0.066 0.000 0.814 744 E CB -0.068 29.609 29.700 -0.038 0.000 0.762 744 E HN 0.558 nan 8.360 nan 0.000 0.460 745 M N 0.912 120.457 119.600 -0.092 0.000 2.476 745 M HA 0.100 4.580 4.480 -0.000 0.000 0.262 745 M C -0.126 176.087 176.300 -0.145 0.000 1.111 745 M CA 0.809 56.054 55.300 -0.092 0.000 1.127 745 M CB -0.590 31.988 32.600 -0.036 0.000 1.376 745 M HN 0.047 nan 8.290 nan 0.000 0.465 746 D N -1.934 118.356 120.400 -0.183 0.000 2.865 746 D HA 0.444 5.084 4.640 -0.000 0.000 0.343 746 D C -0.977 175.203 176.300 -0.201 0.000 1.372 746 D CA -0.708 53.153 54.000 -0.232 0.000 0.862 746 D CB 0.629 41.423 40.800 -0.010 0.000 1.425 746 D HN -0.031 nan 8.370 nan 0.000 0.501 750 E N 4.581 124.916 120.200 0.224 0.000 2.288 750 E HA 0.877 5.227 4.350 -0.000 0.000 0.268 750 E C -1.775 174.987 176.600 0.270 0.000 0.885 750 E CA -0.833 55.702 56.400 0.225 0.000 0.767 750 E CB 2.790 32.545 29.700 0.092 0.000 1.220 750 E HN 0.560 nan 8.360 nan 0.000 0.427 751 L N 4.143 125.517 121.223 0.251 0.000 2.811 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.251 751 L C -0.107 176.835 176.870 0.121 0.000 0.971 751 L CA 0.769 55.738 54.840 0.214 0.000 0.990 751 L CB 0.961 43.206 42.059 0.311 0.000 1.320 751 L HN 0.790 nan 8.230 nan 0.000 0.473 752 G N 3.663 112.506 108.800 0.072 0.000 2.527 752 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.268 752 G C 0.591 175.486 174.900 -0.008 0.000 1.175 752 G CA 0.476 45.592 45.100 0.028 0.000 0.962 752 G HN 1.012 nan 8.290 nan 0.000 0.560 753 N N 0.968 119.649 118.700 -0.032 0.000 2.459 753 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 753 N C 0.795 176.240 175.510 -0.108 0.000 1.046 753 N CA 1.429 54.442 53.050 -0.063 0.000 0.904 753 N CB -0.121 38.331 38.487 -0.058 0.000 0.964 753 N HN 0.763 nan 8.380 nan 0.000 0.444 754 K N 0.362 120.679 120.400 -0.138 0.000 2.298 754 K HA 0.326 4.646 4.320 -0.000 0.000 0.280 754 K C -0.195 176.190 176.600 -0.359 0.000 1.032 754 K CA -0.176 55.905 56.287 -0.344 0.000 0.958 754 K CB 1.141 33.369 32.500 -0.454 0.000 0.978 754 K HN 0.040 nan 8.250 nan 0.000 0.472 755 R N 1.858 122.042 120.500 -0.527 0.000 2.626 755 R HA 0.368 4.708 4.340 -0.000 0.000 0.274 755 R C -1.653 174.519 176.300 -0.214 0.000 1.031 755 R CA -0.640 55.345 56.100 -0.192 0.000 0.898 755 R CB 1.313 31.556 30.300 -0.095 0.000 1.222 755 R HN 0.595 nan 8.270 nan 0.000 0.455 756 W N 3.222 124.621 121.300 0.165 0.000 2.883 756 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 756 W C -0.718 175.881 176.519 0.133 0.000 1.083 756 W CA -0.562 56.837 57.345 0.092 0.000 1.233 756 W CB 2.240 31.728 29.460 0.046 0.000 1.412 756 W HN 0.475 nan 8.180 nan 0.000 0.490 757 Q N 2.481 122.421 119.800 0.232 0.000 2.356 757 Q HA 0.521 4.861 4.340 -0.000 0.000 0.270 757 Q C -2.094 173.860 176.000 -0.077 0.000 1.058 757 Q CA -0.507 55.422 55.803 0.210 0.000 0.802 757 Q CB 1.908 30.833 28.738 0.311 0.000 1.303 757 Q HN 0.348 nan 8.270 nan 0.000 0.444 758 F N 2.764 122.802 119.950 0.148 0.000 2.402 758 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 758 F C 0.524 176.340 175.800 0.027 0.000 1.123 758 F CA -0.870 57.182 58.000 0.088 0.000 1.021 758 F CB 1.441 40.506 39.000 0.108 0.000 1.160 758 F HN 0.561 nan 8.300 nan 0.000 0.451 759 N N 3.642 122.435 118.700 0.156 0.000 2.475 759 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 759 N C 0.880 176.389 175.510 -0.002 0.000 1.169 759 N CA 0.076 53.164 53.050 0.064 0.000 0.947 759 N CB 0.750 39.285 38.487 0.080 0.000 1.061 759 N HN 0.713 nan 8.380 nan 0.000 0.466 760 R N 2.370 122.792 120.500 -0.129 0.000 2.276 760 R HA -0.063 4.277 4.340 -0.000 0.000 0.203 760 R C 1.124 177.348 176.300 -0.127 0.000 1.017 760 R CA 0.998 56.967 56.100 -0.220 0.000 1.010 760 R CB 0.268 30.328 30.300 -0.400 0.000 0.900 760 R HN 0.619 nan 8.270 nan 0.000 0.469 761 Q N -0.661 119.098 119.800 -0.068 0.000 2.204 761 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 761 Q C 2.081 178.061 176.000 -0.034 0.000 0.946 761 Q CA 1.520 57.295 55.803 -0.048 0.000 0.859 761 Q CB 0.348 29.076 28.738 -0.016 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.404 114.301 115.700 0.009 0.000 2.458 762 S HA 0.184 4.654 4.470 -0.000 0.000 0.223 762 S C 1.619 176.116 174.600 -0.173 0.000 1.019 762 S CA 0.508 58.735 58.200 0.045 0.000 0.937 762 S CB 0.129 63.481 63.200 0.253 0.000 0.788 762 S HN 0.456 nan 8.310 nan 0.000 0.511 763 G N 0.382 109.102 108.800 -0.133 0.000 2.148 763 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 763 G C -0.096 174.665 174.900 -0.230 0.000 0.981 763 G CA 0.372 45.367 45.100 -0.174 0.000 0.670 763 G HN 0.536 nan 8.290 nan 0.000 0.528 764 F N -1.309 118.820 119.950 0.298 0.000 2.541 764 F HA 0.683 5.210 4.527 -0.000 0.000 0.331 764 F C 0.512 176.372 175.800 0.099 0.000 1.057 764 F CA -1.444 56.705 58.000 0.248 0.000 0.975 764 F CB 1.316 40.413 39.000 0.162 0.000 1.246 764 F HN 0.007 nan 8.300 nan 0.000 0.484 765 L N 1.534 122.852 121.223 0.158 0.000 2.485 765 L HA 0.222 4.562 4.340 -0.000 0.000 0.279 765 L C 0.583 177.359 176.870 -0.156 0.000 1.124 765 L CA 0.664 55.212 54.840 -0.485 0.000 0.888 765 L CB 0.121 41.872 42.059 -0.512 0.000 1.217 765 L HN 0.631 nan 8.230 nan 0.000 0.464 766 S N 2.675 118.288 115.700 -0.145 0.000 2.425 766 S HA 0.107 4.577 4.470 -0.000 0.000 0.225 766 S C 0.457 174.961 174.600 -0.159 0.000 1.024 766 S CA 0.428 58.589 58.200 -0.065 0.000 0.951 766 S CB -0.043 63.158 63.200 0.001 0.000 0.796 766 S HN 0.737 nan 8.310 nan 0.000 0.498 767 Q N -0.246 119.407 119.800 -0.245 0.000 2.633 767 Q HA 0.650 4.990 4.340 -0.000 0.000 0.289 767 Q C -1.647 174.043 176.000 -0.516 0.000 0.940 767 Q CA -0.641 54.894 55.803 -0.448 0.000 0.785 767 Q CB 1.411 29.763 28.738 -0.643 0.000 1.467 767 Q HN 0.282 nan 8.270 nan 0.000 0.401 768 M N 0.073 119.222 119.600 -0.751 0.000 2.465 768 M HA 0.771 5.251 4.480 -0.000 0.000 0.284 768 M C -1.953 173.935 176.300 -0.687 0.000 1.212 768 M CA -0.330 54.621 55.300 -0.582 0.000 0.910 768 M CB 1.960 34.240 32.600 -0.534 0.000 1.725 768 M HN 0.508 nan 8.290 nan 0.000 0.477 769 W N 3.044 124.115 121.300 -0.382 0.000 2.864 769 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 769 W C -1.533 174.782 176.519 -0.341 0.000 1.109 769 W CA -0.884 56.289 57.345 -0.287 0.000 1.192 769 W CB 2.060 31.385 29.460 -0.225 0.000 1.426 769 W HN 0.584 nan 8.180 nan 0.000 0.529 770 I N 2.418 122.991 120.570 0.006 0.000 2.448 770 I HA 0.436 4.606 4.170 -0.000 0.000 0.281 770 I C 0.727 176.837 176.117 -0.011 0.000 1.027 770 I CA 0.162 61.417 61.300 -0.075 0.000 1.111 770 I CB 1.131 39.057 38.000 -0.124 0.000 1.236 770 I HN 0.710 nan 8.210 nan 0.000 0.452 771 G N 5.582 114.369 108.800 -0.022 0.000 2.531 771 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.274 771 G C 0.292 175.211 174.900 0.032 0.000 1.159 771 G CA 0.474 45.565 45.100 -0.015 0.000 0.969 771 G HN 0.740 nan 8.290 nan 0.000 0.554 772 D N 0.949 121.380 120.400 0.053 0.000 2.363 772 D HA 0.243 4.883 4.640 -0.000 0.000 0.214 772 D C 0.612 177.045 176.300 0.222 0.000 1.093 772 D CA 0.214 54.278 54.000 0.108 0.000 0.837 772 D CB 0.246 41.067 40.800 0.036 0.000 0.948 772 D HN 0.482 nan 8.370 nan 0.000 0.507 773 K N 1.024 121.524 120.400 0.167 0.000 2.234 773 K HA 0.285 4.605 4.320 -0.000 0.000 0.277 773 K C -0.005 176.565 176.600 -0.050 0.000 1.038 773 K CA -0.470 55.856 56.287 0.064 0.000 0.888 773 K CB 1.714 34.210 32.500 -0.007 0.000 1.091 773 K HN -0.125 nan 8.250 nan 0.000 0.467 774 K N 1.908 122.188 120.400 -0.200 0.000 2.295 774 K HA 0.034 4.354 4.320 -0.000 0.000 0.270 774 K C 0.767 177.151 176.600 -0.360 0.000 1.011 774 K CA -0.187 55.755 56.287 -0.573 0.000 0.953 774 K CB 0.689 32.909 32.500 -0.468 0.000 0.956 774 K HN 0.429 nan 8.250 nan 0.000 0.477 775 Q N 1.042 120.599 119.800 -0.404 0.000 2.316 775 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 775 Q C -0.125 175.782 176.000 -0.155 0.000 0.863 775 Q CA 0.430 56.119 55.803 -0.190 0.000 0.939 775 Q CB 0.515 29.191 28.738 -0.103 0.000 1.108 775 Q HN 0.469 nan 8.270 nan 0.000 0.522 776 L N 0.354 121.434 121.223 -0.239 0.000 2.362 776 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 776 L C 0.726 177.469 176.870 -0.211 0.000 1.002 776 L CA -0.463 54.263 54.840 -0.189 0.000 0.818 776 L CB 1.665 43.620 42.059 -0.172 0.000 1.298 776 L HN -0.148 nan 8.230 nan 0.000 0.420 777 L N 0.066 121.157 121.223 -0.220 0.000 2.477 777 L HA 0.248 4.588 4.340 -0.000 0.000 0.220 777 L C 0.577 177.334 176.870 -0.188 0.000 1.106 777 L CA 0.740 55.455 54.840 -0.209 0.000 0.851 777 L CB 0.275 42.188 42.059 -0.244 0.000 0.994 777 L HN 0.619 nan 8.230 nan 0.000 0.462 778 T N -0.260 114.172 114.554 -0.204 0.000 2.916 778 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 778 T C -2.686 171.959 174.700 -0.092 0.000 1.119 778 T CA -1.276 60.745 62.100 -0.131 0.000 1.008 778 T CB 2.323 71.091 68.868 -0.168 0.000 1.129 778 T HN -0.280 nan 8.240 nan 0.000 0.480 779 P HA 0.268 nan 4.420 nan 0.000 0.272 779 P C -0.764 176.508 177.300 -0.047 0.000 1.223 779 P CA -0.735 62.345 63.100 -0.033 0.000 0.784 779 P CB 0.415 32.121 31.700 0.010 0.000 0.923 780 L N 3.912 125.143 121.223 0.014 0.000 2.369 780 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 780 L C 0.541 177.358 176.870 -0.089 0.000 1.108 780 L CA 0.458 55.330 54.840 0.054 0.000 0.852 780 L CB -0.782 41.417 42.059 0.235 0.000 1.169 780 L HN 0.462 nan 8.230 nan 0.000 0.452 781 R N 1.958 122.353 120.500 -0.176 0.000 2.799 781 R HA 0.616 4.956 4.340 -0.000 0.000 0.270 781 R C -1.084 175.094 176.300 -0.203 0.000 1.010 781 R CA -1.107 54.787 56.100 -0.343 0.000 0.916 781 R CB 0.632 30.370 30.300 -0.937 0.000 1.228 781 R HN 0.372 nan 8.270 nan 0.000 0.469 782 D N 0.898 121.208 120.400 -0.151 0.000 2.423 782 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 782 D C -0.637 175.279 176.300 -0.639 0.000 1.142 782 D CA 0.556 54.337 54.000 -0.366 0.000 0.884 782 D CB 0.702 41.294 40.800 -0.348 0.000 1.199 782 D HN 0.351 nan 8.370 nan 0.000 0.438 783 Q N 1.638 120.850 119.800 -0.981 0.000 2.289 783 Q HA 0.310 4.650 4.340 -0.000 0.000 0.270 783 Q C -1.210 174.057 176.000 -1.223 0.000 1.038 783 Q CA -0.592 54.689 55.803 -0.870 0.000 0.812 783 Q CB 0.850 29.308 28.738 -0.466 0.000 1.300 783 Q HN 0.562 nan 8.270 nan 0.000 0.427 784 F N 0.573 120.194 119.950 -0.548 0.000 2.706 784 F HA 0.177 4.704 4.527 -0.000 0.000 0.313 784 F C 0.882 176.302 175.800 -0.633 0.000 1.096 784 F CA -0.079 57.504 58.000 -0.695 0.000 1.219 784 F CB 1.509 39.894 39.000 -1.025 0.000 1.051 784 F HN 0.489 nan 8.300 nan 0.000 0.568 785 T N -0.796 113.504 114.554 -0.424 0.000 2.883 785 T HA 0.754 5.104 4.350 -0.000 0.000 0.284 785 T C -0.489 173.973 174.700 -0.397 0.000 1.041 785 T CA -0.926 60.837 62.100 -0.562 0.000 1.007 785 T CB 2.585 71.072 68.868 -0.635 0.000 1.220 785 T HN 0.226 nan 8.240 nan 0.000 0.552 786 R N -0.540 119.753 120.500 -0.345 0.000 2.774 786 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 786 R C -1.163 175.182 176.300 0.075 0.000 1.000 786 R CA -1.183 54.844 56.100 -0.121 0.000 0.906 786 R CB 1.490 31.726 30.300 -0.106 0.000 1.227 786 R HN 0.823 nan 8.270 nan 0.000 0.468 787 A N 3.388 126.240 122.820 0.054 0.000 2.444 787 A HA 0.325 4.645 4.320 -0.000 0.000 0.287 787 A C -2.029 175.613 177.584 0.097 0.000 1.195 787 A CA -1.555 50.518 52.037 0.059 0.000 0.858 787 A CB -0.468 18.518 19.000 -0.023 0.000 1.117 787 A HN 0.538 nan 8.150 nan 0.000 0.521 788 P HA -0.050 nan 4.420 nan 0.000 0.261 788 P C -0.208 177.194 177.300 0.170 0.000 1.158 788 P CA 0.766 64.016 63.100 0.251 0.000 0.758 788 P CB 0.224 32.097 31.700 0.289 0.000 0.763 789 L N 2.469 123.767 121.223 0.124 0.000 2.454 789 L HA 0.210 4.550 4.340 -0.000 0.000 0.256 789 L C 1.856 178.740 176.870 0.024 0.000 1.136 789 L CA -0.584 54.267 54.840 0.019 0.000 0.804 789 L CB 0.070 42.074 42.059 -0.091 0.000 1.181 789 L HN 0.288 nan 8.230 nan 0.000 0.469 790 D N 0.437 120.793 120.400 -0.075 0.000 2.116 790 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 790 D C 1.631 177.867 176.300 -0.108 0.000 0.998 790 D CA 1.500 55.390 54.000 -0.183 0.000 0.836 790 D CB 0.044 40.648 40.800 -0.327 0.000 0.951 790 D HN 0.489 nan 8.370 nan 0.000 0.449 791 N N 1.137 119.787 118.700 -0.083 0.000 2.205 791 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 791 N C 1.193 176.725 175.510 0.036 0.000 1.015 791 N CA 0.783 53.816 53.050 -0.029 0.000 0.862 791 N CB -0.297 38.159 38.487 -0.052 0.000 0.986 791 N HN 0.252 nan 8.380 nan 0.000 0.429 792 D N 0.175 120.612 120.400 0.060 0.000 2.264 792 D HA 0.012 4.652 4.640 -0.000 0.000 0.208 792 D C 1.894 178.262 176.300 0.114 0.000 0.966 792 D CA 0.432 54.511 54.000 0.131 0.000 0.864 792 D CB 0.150 41.105 40.800 0.257 0.000 0.933 792 D HN 0.353 nan 8.370 nan 0.000 0.499 793 I N -0.413 120.203 120.570 0.077 0.000 2.729 793 I HA 0.110 4.280 4.170 -0.000 0.000 0.256 793 I C 1.893 178.045 176.117 0.058 0.000 1.115 793 I CA 0.605 61.940 61.300 0.059 0.000 1.446 793 I CB -0.149 37.864 38.000 0.021 0.000 1.176 793 I HN 0.072 nan 8.210 nan 0.000 0.446 794 G N 1.421 110.268 108.800 0.077 0.000 2.565 794 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 794 G C 0.689 175.756 174.900 0.278 0.000 1.165 794 G CA 0.934 46.143 45.100 0.181 0.000 0.977 794 G HN 0.655 nan 8.290 nan 0.000 0.546 795 V N -2.213 117.804 119.914 0.173 0.000 3.214 795 V HA 0.704 4.824 4.120 -0.000 0.000 0.330 795 V C 0.950 177.066 176.094 0.037 0.000 1.403 795 V CA 1.025 63.385 62.300 0.099 0.000 1.143 795 V CB 0.331 32.117 31.823 -0.063 0.000 1.098 795 V HN 1.253 nan 8.190 nan 0.000 0.463 796 S N 1.320 117.045 115.700 0.042 0.000 2.533 796 S HA 0.361 4.831 4.470 -0.000 0.000 0.282 796 S C -0.149 174.467 174.600 0.026 0.000 1.304 796 S CA 0.189 58.400 58.200 0.018 0.000 1.063 796 S CB 0.468 63.677 63.200 0.014 0.000 0.881 796 S HN 0.815 nan 8.310 nan 0.000 0.493 797 E N 1.860 122.068 120.200 0.014 0.000 2.343 797 E HA 0.618 4.968 4.350 -0.000 0.000 0.270 797 E C 0.640 177.253 176.600 0.021 0.000 0.895 797 E CA -0.387 56.026 56.400 0.022 0.000 0.767 797 E CB 1.517 31.224 29.700 0.012 0.000 1.248 797 E HN 0.627 nan 8.360 nan 0.000 0.440 798 A N 1.460 124.300 122.820 0.032 0.000 1.903 798 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 798 A C 2.116 179.713 177.584 0.022 0.000 1.191 798 A CA 2.791 54.846 52.037 0.031 0.000 0.638 798 A CB -1.236 17.789 19.000 0.041 0.000 0.823 798 A HN 0.752 nan 8.150 nan 0.000 0.451 799 T N -2.328 112.237 114.554 0.019 0.000 2.701 799 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 799 T C 1.187 175.888 174.700 0.001 0.000 1.040 799 T CA 1.295 63.402 62.100 0.011 0.000 1.147 799 T CB -0.125 68.749 68.868 0.009 0.000 0.865 799 T HN 0.346 nan 8.240 nan 0.000 0.426 800 R N 0.549 121.046 120.500 -0.005 0.000 2.402 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.290 800 R C -1.117 175.173 176.300 -0.016 0.000 1.321 800 R CA -0.557 55.533 56.100 -0.017 0.000 1.283 800 R CB 0.204 30.485 30.300 -0.031 0.000 1.111 800 R HN 0.414 nan 8.270 nan 0.000 0.578 801 I N 1.851 122.414 120.570 -0.011 0.000 2.634 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.239 176.341 176.117 -0.025 0.000 1.124 801 I CA 0.529 61.822 61.300 -0.011 0.000 1.417 801 I CB 0.805 38.802 38.000 -0.006 0.000 1.396 801 I HN 0.397 nan 8.210 nan 0.000 0.571 802 D N 8.673 129.056 120.400 -0.029 0.000 2.477 802 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 802 D C -1.694 174.565 176.300 -0.069 0.000 1.102 802 D CA -2.370 51.602 54.000 -0.045 0.000 0.901 802 D CB 1.146 41.923 40.800 -0.039 0.000 1.026 802 D HN 0.133 nan 8.370 nan 0.000 0.515 803 P HA -0.169 nan 4.420 nan 0.000 0.219 803 P C 0.430 177.637 177.300 -0.154 0.000 1.144 803 P CA 1.040 64.082 63.100 -0.096 0.000 0.806 803 P CB 0.286 31.938 31.700 -0.081 0.000 0.771 804 N N -0.549 118.051 118.700 -0.166 0.000 2.373 804 N HA 0.099 4.839 4.740 -0.000 0.000 0.181 804 N C 0.844 176.147 175.510 -0.345 0.000 1.082 804 N CA 0.092 52.988 53.050 -0.257 0.000 0.885 804 N CB -0.066 38.285 38.487 -0.227 0.000 0.977 804 N HN 0.097 nan 8.380 nan 0.000 0.462 805 A N 0.669 123.348 122.820 -0.234 0.000 2.540 805 A HA 0.020 4.340 4.320 -0.000 0.000 0.239 805 A C 0.763 178.142 177.584 -0.342 0.000 1.061 805 A CA -0.340 51.565 52.037 -0.220 0.000 0.758 805 A CB -0.011 18.940 19.000 -0.082 0.000 0.991 805 A HN 0.334 nan 8.150 nan 0.000 0.502 806 W N 1.921 122.958 121.300 -0.439 0.000 2.302 806 W HA -0.224 4.436 4.660 -0.000 0.000 0.320 806 W C 2.271 178.246 176.519 -0.907 0.000 1.241 806 W CA 1.937 58.735 57.345 -0.911 0.000 1.264 806 W CB -0.478 28.292 29.460 -1.149 0.000 1.154 806 W HN 0.564 nan 8.180 nan 0.000 0.483 807 V N 0.777 120.611 119.914 -0.134 0.000 2.324 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 807 V C 2.288 178.488 176.094 0.177 0.000 1.060 807 V CA 2.283 64.732 62.300 0.248 0.000 1.042 807 V CB -0.475 31.512 31.823 0.273 0.000 0.650 807 V HN 0.092 nan 8.190 nan 0.000 0.450 808 E N 0.166 120.371 120.200 0.008 0.000 2.051 808 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 808 E C 2.352 178.931 176.600 -0.034 0.000 0.991 808 E CA 1.512 57.907 56.400 -0.009 0.000 0.799 808 E CB -0.395 29.270 29.700 -0.059 0.000 0.748 808 E HN 0.661 nan 8.360 nan 0.000 0.449 809 R N -0.396 120.006 120.500 -0.164 0.000 2.075 809 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 809 R C 2.315 178.570 176.300 -0.074 0.000 1.126 809 R CA 1.066 57.051 56.100 -0.192 0.000 0.963 809 R CB -0.431 29.638 30.300 -0.385 0.000 0.858 809 R HN 0.254 nan 8.270 nan 0.000 0.435 810 W N 2.122 123.380 121.300 -0.070 0.000 2.358 810 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 810 W C 2.071 178.546 176.519 -0.074 0.000 1.208 810 W CA 0.475 57.681 57.345 -0.232 0.000 1.274 810 W CB -0.590 28.869 29.460 -0.001 0.000 1.138 810 W HN 0.119 nan 8.180 nan 0.000 0.515 811 K N -0.095 120.532 120.400 0.378 0.000 1.985 811 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 811 K C 2.202 178.883 176.600 0.134 0.000 1.047 811 K CA 1.750 58.225 56.287 0.312 0.000 0.932 811 K CB -0.689 31.941 32.500 0.218 0.000 0.716 811 K HN -0.015 nan 8.250 nan 0.000 0.439 812 A N 1.280 124.146 122.820 0.076 0.000 1.978 812 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 812 A C 2.214 179.803 177.584 0.008 0.000 1.170 812 A CA 1.949 54.009 52.037 0.038 0.000 0.636 812 A CB -0.528 18.479 19.000 0.010 0.000 0.810 812 A HN 0.395 nan 8.150 nan 0.000 0.448 813 A N -2.063 120.740 122.820 -0.029 0.000 2.119 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.216 813 A C 1.933 179.427 177.584 -0.149 0.000 1.152 813 A CA 1.342 53.358 52.037 -0.035 0.000 0.708 813 A CB -0.813 18.145 19.000 -0.071 0.000 0.805 813 A HN 1.912 nan 8.150 nan 0.000 0.460 814 G N -1.862 106.801 108.800 -0.229 0.000 2.141 814 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.242 814 G C 0.623 175.483 174.900 -0.067 0.000 0.982 814 G CA 0.671 45.437 45.100 -0.557 0.000 0.662 814 G HN 0.722 nan 8.290 nan 0.000 0.527 815 H N -1.240 117.781 119.070 -0.082 0.000 2.353 815 H HA -0.133 4.423 4.556 -0.000 0.000 0.298 815 H C 2.191 177.478 175.328 -0.069 0.000 1.103 815 H CA 1.671 57.678 56.048 -0.069 0.000 1.293 815 H CB 0.033 29.692 29.762 -0.171 0.000 1.372 815 H HN 0.597 nan 8.280 nan 0.000 0.501 816 Y N 0.799 121.215 120.300 0.193 0.000 2.571 816 Y HA -0.124 4.426 4.550 -0.000 0.000 0.294 816 Y C 1.644 177.622 175.900 0.131 0.000 1.141 816 Y CA 0.801 58.979 58.100 0.129 0.000 1.308 816 Y CB 0.323 38.846 38.460 0.105 0.000 1.002 816 Y HN 0.402 nan 8.280 nan 0.000 0.551 817 Q N -0.978 118.979 119.800 0.260 0.000 2.063 817 Q HA 0.473 4.813 4.340 -0.000 0.000 0.245 817 Q C -0.269 175.905 176.000 0.291 0.000 0.828 817 Q CA -0.362 55.595 55.803 0.257 0.000 1.089 817 Q CB 0.308 29.191 28.738 0.240 0.000 1.232 817 Q HN 0.110 nan 8.270 nan 0.000 0.445 818 A N 1.104 124.104 122.820 0.301 0.000 2.351 818 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 818 A C -0.097 177.735 177.584 0.414 0.000 1.087 818 A CA -0.178 52.076 52.037 0.362 0.000 0.798 818 A CB 0.521 19.723 19.000 0.336 0.000 1.033 818 A HN 0.309 nan 8.150 nan 0.000 0.488 819 E N 0.613 120.996 120.200 0.305 0.000 2.133 819 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 819 E C -0.069 176.514 176.600 -0.029 0.000 0.930 819 E CA -0.216 56.289 56.400 0.175 0.000 0.770 819 E CB 1.713 31.482 29.700 0.115 0.000 1.104 819 E HN 0.730 nan 8.360 nan 0.000 0.403 820 A N 2.364 125.045 122.820 -0.231 0.000 2.407 820 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 820 A C -0.231 177.180 177.584 -0.288 0.000 1.082 820 A CA -0.063 51.532 52.037 -0.737 0.000 0.785 820 A CB 0.531 19.101 19.000 -0.715 0.000 1.020 820 A HN 0.553 nan 8.150 nan 0.000 0.489 821 A N 2.070 124.715 122.820 -0.290 0.000 2.375 821 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 821 A C -0.697 176.781 177.584 -0.175 0.000 1.066 821 A CA -0.566 51.385 52.037 -0.144 0.000 0.722 821 A CB 0.725 19.667 19.000 -0.097 0.000 1.206 821 A HN 1.069 nan 8.150 nan 0.000 0.435 822 L N 3.341 124.441 121.223 -0.206 0.000 2.462 822 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 822 L C 0.626 177.348 176.870 -0.246 0.000 1.166 822 L CA 0.070 54.678 54.840 -0.386 0.000 0.880 822 L CB 0.141 42.002 42.059 -0.330 0.000 1.142 822 L HN 0.835 nan 8.230 nan 0.000 0.473 823 L N 3.640 124.710 121.223 -0.255 0.000 2.425 823 L HA 0.199 4.538 4.340 -0.000 0.000 0.215 823 L C 0.448 177.250 176.870 -0.113 0.000 1.065 823 L CA 0.191 54.955 54.840 -0.127 0.000 0.842 823 L CB 0.204 42.224 42.059 -0.066 0.000 1.033 823 L HN 0.793 nan 8.230 nan 0.000 0.474 824 Q N -0.583 119.120 119.800 -0.161 0.000 2.617 824 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 824 Q C -1.846 174.095 176.000 -0.098 0.000 0.967 824 Q CA -0.756 54.989 55.803 -0.096 0.000 0.887 824 Q CB 2.285 30.998 28.738 -0.041 0.000 1.516 824 Q HN 0.019 nan 8.270 nan 0.000 0.395 825 C N 2.781 122.062 119.300 -0.033 0.000 2.705 825 C HA 0.886 5.346 4.460 -0.000 0.000 0.369 825 C C -1.062 173.997 174.990 0.115 0.000 1.069 825 C CA 0.769 59.804 59.018 0.030 0.000 1.260 825 C CB 0.816 28.564 27.740 0.015 0.000 1.764 825 C HN 0.923 nan 8.230 nan 0.000 0.469 826 T N 2.823 117.415 114.554 0.063 0.000 2.896 826 T HA 0.894 5.244 4.350 -0.000 0.000 0.297 826 T C -0.537 174.033 174.700 -0.217 0.000 1.108 826 T CA -0.018 62.079 62.100 -0.005 0.000 1.004 826 T CB 1.831 70.683 68.868 -0.026 0.000 1.159 826 T HN 2.019 nan 8.240 nan 0.000 0.499 827 A N 1.605 124.166 122.820 -0.431 0.000 2.401 827 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 827 A C -1.209 176.160 177.584 -0.358 0.000 1.075 827 A CA -0.639 51.035 52.037 -0.605 0.000 0.746 827 A CB 1.438 19.674 19.000 -1.274 0.000 1.277 827 A HN 0.893 nan 8.150 nan 0.000 0.425 828 D N 0.202 120.436 120.400 -0.276 0.000 2.736 828 D HA 0.428 5.068 4.640 -0.000 0.000 0.223 828 D C -1.309 174.909 176.300 -0.136 0.000 1.231 828 D CA -0.012 53.886 54.000 -0.169 0.000 0.818 828 D CB 2.412 43.142 40.800 -0.117 0.000 1.587 828 D HN 0.411 nan 8.370 nan 0.000 0.463 829 T N 1.848 116.346 114.554 -0.093 0.000 2.758 829 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 829 T C 0.110 174.784 174.700 -0.044 0.000 0.981 829 T CA -0.512 61.550 62.100 -0.063 0.000 0.965 829 T CB 0.894 69.740 68.868 -0.037 0.000 0.927 829 T HN 0.062 nan 8.240 nan 0.000 0.448 830 L N 1.701 122.899 121.223 -0.041 0.000 2.376 830 L HA 0.668 5.008 4.340 -0.000 0.000 0.267 830 L C 1.751 178.611 176.870 -0.017 0.000 1.035 830 L CA -0.483 54.340 54.840 -0.028 0.000 0.800 830 L CB 0.130 42.172 42.059 -0.029 0.000 1.290 830 L HN 0.693 nan 8.230 nan 0.000 0.462 831 A N -0.275 122.538 122.820 -0.011 0.000 2.019 831 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 831 A C 0.864 178.448 177.584 -0.001 0.000 1.164 831 A CA 1.946 53.981 52.037 -0.004 0.000 0.644 831 A CB -0.692 18.308 19.000 -0.001 0.000 0.805 831 A HN 0.857 nan 8.150 nan 0.000 0.449 832 D N -2.574 117.823 120.400 -0.004 0.000 2.500 832 D HA 0.560 5.200 4.640 -0.000 0.000 0.217 832 D C 0.262 176.556 176.300 -0.010 0.000 1.159 832 D CA 0.659 54.659 54.000 -0.001 0.000 0.828 832 D CB 0.461 41.263 40.800 0.003 0.000 1.039 832 D HN 0.493 nan 8.370 nan 0.000 0.512 833 A N -0.430 122.377 122.820 -0.022 0.000 2.467 833 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 833 A C -1.773 175.776 177.584 -0.057 0.000 1.126 833 A CA -0.765 51.247 52.037 -0.041 0.000 0.632 833 A CB 0.739 19.711 19.000 -0.046 0.000 1.331 833 A HN -0.013 nan 8.150 nan 0.000 0.482 834 V N 0.274 120.135 119.914 -0.089 0.000 2.581 834 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 834 V C -0.921 175.092 176.094 -0.134 0.000 1.041 834 V CA -0.481 61.748 62.300 -0.117 0.000 0.907 834 V CB 1.369 33.110 31.823 -0.137 0.000 0.994 834 V HN 0.829 nan 8.190 nan 0.000 0.442 835 L N 5.700 126.835 121.223 -0.146 0.000 2.356 835 L HA 0.680 5.020 4.340 -0.000 0.000 0.277 835 L C -0.969 175.787 176.870 -0.191 0.000 0.996 835 L CA -0.084 54.677 54.840 -0.131 0.000 0.822 835 L CB 1.475 43.480 42.059 -0.090 0.000 1.256 835 L HN 0.407 nan 8.230 nan 0.000 0.413 836 I N 3.455 123.921 120.570 -0.174 0.000 2.474 836 I HA 0.594 4.764 4.170 -0.000 0.000 0.294 836 I C 0.145 176.250 176.117 -0.021 0.000 1.005 836 I CA -0.417 60.746 61.300 -0.229 0.000 1.113 836 I CB 1.785 39.457 38.000 -0.546 0.000 1.289 836 I HN 0.705 nan 8.210 nan 0.000 0.436 837 T N 1.933 116.473 114.554 -0.023 0.000 2.886 837 T HA 0.851 5.201 4.350 -0.000 0.000 0.292 837 T C -0.364 174.389 174.700 0.089 0.000 1.012 837 T CA -0.463 61.676 62.100 0.064 0.000 0.982 837 T CB 2.043 70.928 68.868 0.028 0.000 1.018 837 T HN 0.779 nan 8.240 nan 0.000 0.451 838 T N -0.453 114.196 114.554 0.157 0.000 2.887 838 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 838 T C -0.752 174.031 174.700 0.138 0.000 1.087 838 T CA -0.823 61.358 62.100 0.136 0.000 1.009 838 T CB 1.648 70.697 68.868 0.302 0.000 1.203 838 T HN 1.620 nan 8.240 nan 0.000 0.518 839 A N 1.318 124.153 122.820 0.024 0.000 2.480 839 A HA 0.712 5.031 4.320 -0.000 0.000 0.289 839 A C -1.484 176.059 177.584 -0.069 0.000 1.044 839 A CA -0.769 51.324 52.037 0.093 0.000 0.761 839 A CB 0.668 19.698 19.000 0.049 0.000 1.289 839 A HN 0.977 nan 8.150 nan 0.000 0.401 840 H N 0.258 119.388 119.070 0.100 0.000 2.834 840 H HA 0.878 5.434 4.556 -0.000 0.000 0.369 840 H C -0.001 175.345 175.328 0.029 0.000 1.174 840 H CA 0.108 56.124 56.048 -0.053 0.000 1.165 840 H CB 2.104 31.708 29.762 -0.263 0.000 1.820 840 H HN 1.059 nan 8.280 nan 0.000 0.558 841 A N 1.026 123.838 122.820 -0.014 0.000 2.398 841 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 841 A C -1.501 176.092 177.584 0.015 0.000 1.041 841 A CA -0.730 51.388 52.037 0.134 0.000 0.711 841 A CB 1.178 20.234 19.000 0.093 0.000 1.240 841 A HN 0.549 nan 8.150 nan 0.000 0.420 842 W N 2.094 123.477 121.300 0.138 0.000 2.361 842 W HA 0.451 5.111 4.660 -0.000 0.000 0.309 842 W C -0.218 176.273 176.519 -0.047 0.000 1.122 842 W CA -0.173 57.225 57.345 0.089 0.000 1.208 842 W CB 1.588 31.125 29.460 0.128 0.000 1.246 842 W HN 0.768 nan 8.180 nan 0.000 0.490 843 Q N 1.382 121.285 119.800 0.172 0.000 2.496 843 Q HA 0.466 4.806 4.340 -0.000 0.000 0.286 843 Q C -0.925 175.189 176.000 0.190 0.000 1.103 843 Q CA -0.943 54.927 55.803 0.112 0.000 0.813 843 Q CB 3.516 32.291 28.738 0.062 0.000 1.444 843 Q HN 0.389 nan 8.270 nan 0.000 0.443 844 H N 1.036 120.123 119.070 0.027 0.000 3.179 844 H HA 0.066 4.622 4.556 -0.000 0.000 0.331 844 H C -1.073 174.277 175.328 0.037 0.000 1.013 844 H CA -0.065 56.011 56.048 0.048 0.000 1.430 844 H CB 1.032 30.831 29.762 0.062 0.000 1.895 844 H HN 0.863 nan 8.280 nan 0.000 0.468 845 Q N 3.301 122.873 119.800 -0.380 0.000 2.451 845 Q HA -0.245 4.095 4.340 -0.000 0.000 0.305 845 Q C 0.974 176.928 176.000 -0.077 0.000 1.345 845 Q CA 1.172 56.822 55.803 -0.254 0.000 0.854 845 Q CB -1.444 27.111 28.738 -0.305 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -0.290 108.485 108.800 -0.042 0.000 2.234 846 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 846 G C 0.101 175.008 174.900 0.012 0.000 0.987 846 G CA 0.705 45.799 45.100 -0.009 0.000 0.625 846 G HN 0.410 nan 8.290 nan 0.000 0.532 847 K N 1.100 121.517 120.400 0.029 0.000 2.130 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.268 847 K C -0.233 176.380 176.600 0.021 0.000 0.983 847 K CA -0.109 56.197 56.287 0.032 0.000 0.893 847 K CB 0.906 33.434 32.500 0.047 0.000 1.066 847 K HN 0.009 nan 8.250 nan 0.000 0.450 848 T N 5.518 120.074 114.554 0.003 0.000 2.733 848 T HA 0.236 4.586 4.350 -0.000 0.000 0.294 848 T C 1.107 175.744 174.700 -0.104 0.000 0.956 848 T CA -0.591 61.500 62.100 -0.014 0.000 0.987 848 T CB 0.528 69.410 68.868 0.024 0.000 0.920 848 T HN 0.521 nan 8.240 nan 0.000 0.470 849 L N 2.042 123.087 121.223 -0.297 0.000 2.084 849 L HA 0.334 4.674 4.340 -0.000 0.000 0.202 849 L C 0.087 176.508 176.870 -0.748 0.000 1.074 849 L CA 0.988 55.387 54.840 -0.734 0.000 0.757 849 L CB -0.109 41.027 42.059 -1.538 0.000 0.918 849 L HN 0.516 nan 8.230 nan 0.000 0.444 850 F N -1.036 118.870 119.950 -0.074 0.000 2.629 850 F HA 0.616 5.143 4.527 -0.000 0.000 0.316 850 F C -0.382 175.534 175.800 0.193 0.000 1.081 850 F CA -0.922 57.007 58.000 -0.119 0.000 0.954 850 F CB 2.163 40.752 39.000 -0.685 0.000 1.337 850 F HN -0.310 nan 8.300 nan 0.000 0.474 851 I N 1.392 122.217 120.570 0.425 0.000 2.499 851 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 851 I C -1.011 175.385 176.117 0.464 0.000 1.048 851 I CA -0.503 61.061 61.300 0.441 0.000 1.062 851 I CB 2.209 40.377 38.000 0.280 0.000 1.238 851 I HN 0.545 nan 8.210 nan 0.000 0.426 852 S N 6.970 123.043 115.700 0.621 0.000 2.552 852 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 852 S C -0.728 174.128 174.600 0.427 0.000 1.099 852 S CA -0.659 57.870 58.200 0.547 0.000 1.070 852 S CB 0.752 64.389 63.200 0.727 0.000 0.998 852 S HN 0.576 nan 8.310 nan 0.000 0.474 853 R N 3.618 124.290 120.500 0.287 0.000 2.393 853 R HA 0.536 4.876 4.340 -0.000 0.000 0.315 853 R C -0.699 175.679 176.300 0.132 0.000 0.952 853 R CA -0.737 55.489 56.100 0.210 0.000 0.842 853 R CB 1.842 32.239 30.300 0.162 0.000 1.163 853 R HN 0.564 nan 8.270 nan 0.000 0.450 854 K N 0.635 121.106 120.400 0.119 0.000 2.395 854 K HA 0.539 4.859 4.320 -0.000 0.000 0.245 854 K C -0.651 175.929 176.600 -0.033 0.000 1.017 854 K CA -0.960 55.309 56.287 -0.030 0.000 0.852 854 K CB 2.356 34.767 32.500 -0.149 0.000 1.311 854 K HN 0.591 nan 8.250 nan 0.000 0.452 855 T N -1.366 113.088 114.554 -0.167 0.000 2.952 855 T HA 0.526 4.876 4.350 -0.000 0.000 0.305 855 T C -1.485 173.118 174.700 -0.161 0.000 1.064 855 T CA -0.778 61.280 62.100 -0.070 0.000 1.008 855 T CB 0.399 69.255 68.868 -0.019 0.000 1.078 855 T HN 0.407 nan 8.240 nan 0.000 0.459 856 Y N 1.471 121.756 120.300 -0.026 0.000 2.350 856 Y HA 0.706 5.256 4.550 -0.000 0.000 0.338 856 Y C 0.433 176.283 175.900 -0.084 0.000 0.961 856 Y CA -1.140 56.953 58.100 -0.012 0.000 1.100 856 Y CB 1.931 40.419 38.460 0.046 0.000 1.179 856 Y HN 0.854 nan 8.280 nan 0.000 0.454 857 R N 4.539 125.086 120.500 0.079 0.000 2.483 857 R HA 0.641 4.981 4.340 -0.000 0.000 0.303 857 R C -2.030 174.233 176.300 -0.062 0.000 0.987 857 R CA -0.349 55.744 56.100 -0.013 0.000 0.881 857 R CB 0.736 31.031 30.300 -0.009 0.000 1.177 857 R HN 0.813 nan 8.270 nan 0.000 0.451 858 I N 5.085 125.564 120.570 -0.152 0.000 2.339 858 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 858 I C -0.276 175.741 176.117 -0.166 0.000 0.994 858 I CA -0.894 60.254 61.300 -0.254 0.000 1.191 858 I CB 1.487 39.172 38.000 -0.524 0.000 1.343 858 I HN 0.739 nan 8.210 nan 0.000 0.458 859 D N 4.370 124.706 120.400 -0.107 0.000 2.549 859 D HA 0.239 4.879 4.640 -0.000 0.000 0.270 859 D C 1.216 177.499 176.300 -0.029 0.000 1.181 859 D CA -0.703 53.266 54.000 -0.052 0.000 1.070 859 D CB 0.779 41.567 40.800 -0.021 0.000 1.154 859 D HN 0.496 nan 8.370 nan 0.000 0.602 860 G N -1.448 107.348 108.800 -0.007 0.000 2.679 860 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 860 G C 1.125 176.030 174.900 0.008 0.000 1.137 860 G CA 0.876 45.982 45.100 0.009 0.000 0.787 860 G HN 0.524 nan 8.290 nan 0.000 0.534 861 S N -1.005 114.700 115.700 0.007 0.000 2.558 861 S HA 0.367 4.837 4.470 -0.000 0.000 0.217 861 S C 1.765 176.396 174.600 0.052 0.000 0.975 861 S CA 0.925 59.132 58.200 0.012 0.000 0.912 861 S CB 0.046 63.251 63.200 0.009 0.000 0.776 861 S HN 1.395 nan 8.310 nan 0.000 0.526 862 G N 0.818 109.664 108.800 0.078 0.000 2.132 862 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.234 862 G C -0.307 174.694 174.900 0.169 0.000 0.989 862 G CA 0.022 45.231 45.100 0.182 0.000 0.676 862 G HN 0.634 nan 8.290 nan 0.000 0.522 863 Q N -0.582 119.263 119.800 0.074 0.000 2.235 863 Q HA 0.700 5.040 4.340 -0.000 0.000 0.256 863 Q C 0.037 176.052 176.000 0.024 0.000 0.951 863 Q CA -0.542 55.313 55.803 0.086 0.000 0.890 863 Q CB 1.926 30.713 28.738 0.083 0.000 1.279 863 Q HN 0.367 nan 8.270 nan 0.000 0.444 864 M N 1.890 121.540 119.600 0.084 0.000 2.114 864 M HA 0.532 5.012 4.480 -0.000 0.000 0.332 864 M C -1.470 174.927 176.300 0.161 0.000 1.014 864 M CA -0.521 54.815 55.300 0.060 0.000 0.956 864 M CB 1.179 33.819 32.600 0.067 0.000 1.551 864 M HN 0.783 nan 8.290 nan 0.000 0.427 865 A N 6.920 129.805 122.820 0.108 0.000 2.276 865 A HA 0.759 5.079 4.320 -0.000 0.000 0.316 865 A C -0.830 176.801 177.584 0.078 0.000 1.229 865 A CA -0.664 51.437 52.037 0.106 0.000 0.851 865 A CB 0.479 19.522 19.000 0.071 0.000 1.165 865 A HN 0.904 nan 8.150 nan 0.000 0.513 866 I N 1.407 122.007 120.570 0.051 0.000 2.530 866 I HA 0.472 4.642 4.170 -0.000 0.000 0.297 866 I C -0.141 175.876 176.117 -0.167 0.000 1.011 866 I CA -0.377 60.866 61.300 -0.095 0.000 1.107 866 I CB 2.401 40.364 38.000 -0.062 0.000 1.285 866 I HN 0.501 nan 8.210 nan 0.000 0.436 867 T N 4.862 119.260 114.554 -0.261 0.000 2.879 867 T HA 0.537 4.887 4.350 -0.000 0.000 0.290 867 T C -0.721 173.769 174.700 -0.350 0.000 0.993 867 T CA -0.370 61.572 62.100 -0.263 0.000 0.975 867 T CB 1.860 70.669 68.868 -0.098 0.000 0.981 867 T HN 0.245 nan 8.240 nan 0.000 0.439 868 V N 4.187 123.766 119.914 -0.558 0.000 2.588 868 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 868 V C -0.782 175.146 176.094 -0.277 0.000 1.042 868 V CA -0.909 61.090 62.300 -0.502 0.000 0.877 868 V CB 2.082 33.338 31.823 -0.944 0.000 0.996 868 V HN 0.843 nan 8.190 nan 0.000 0.425 869 D N 3.355 123.762 120.400 0.012 0.000 2.696 869 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 869 D C -1.089 175.349 176.300 0.230 0.000 1.188 869 D CA -0.147 53.966 54.000 0.188 0.000 0.876 869 D CB 2.899 43.841 40.800 0.236 0.000 1.334 869 D HN 0.272 nan 8.370 nan 0.000 0.540 870 V N 1.804 121.894 119.914 0.292 0.000 2.715 870 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 870 V C 0.027 176.279 176.094 0.264 0.000 1.054 870 V CA -0.736 61.741 62.300 0.296 0.000 0.928 870 V CB 2.633 34.651 31.823 0.324 0.000 1.007 870 V HN 0.393 nan 8.190 nan 0.000 0.437 871 E N 1.746 122.089 120.200 0.238 0.000 2.210 871 E HA 0.651 5.001 4.350 -0.000 0.000 0.266 871 E C -1.651 175.082 176.600 0.221 0.000 0.883 871 E CA -0.563 55.958 56.400 0.202 0.000 0.761 871 E CB 2.612 32.415 29.700 0.171 0.000 1.156 871 E HN 0.422 nan 8.360 nan 0.000 0.412 872 V N 2.113 122.157 119.914 0.217 0.000 2.487 872 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 872 V C 0.026 176.235 176.094 0.192 0.000 1.028 872 V CA -0.911 61.542 62.300 0.255 0.000 0.860 872 V CB 1.561 33.542 31.823 0.265 0.000 0.991 872 V HN 0.843 nan 8.190 nan 0.000 0.427 873 A N 3.377 126.284 122.820 0.144 0.000 2.546 873 A HA 0.259 4.579 4.320 -0.000 0.000 0.243 873 A C 1.631 179.303 177.584 0.147 0.000 1.063 873 A CA 0.665 52.766 52.037 0.106 0.000 0.757 873 A CB 0.239 19.270 19.000 0.050 0.000 0.991 873 A HN 1.381 nan 8.150 nan 0.000 0.503 874 S N 1.307 117.083 115.700 0.127 0.000 2.442 874 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 874 S C 0.886 175.572 174.600 0.144 0.000 1.007 874 S CA 1.344 59.633 58.200 0.147 0.000 0.965 874 S CB -0.268 62.995 63.200 0.105 0.000 0.773 874 S HN 0.817 nan 8.310 nan 0.000 0.504 875 D N 0.457 120.921 120.400 0.106 0.000 2.342 875 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 875 D C 0.525 176.877 176.300 0.086 0.000 1.101 875 D CA -0.011 54.038 54.000 0.081 0.000 0.837 875 D CB -0.265 40.566 40.800 0.052 0.000 0.938 875 D HN 0.332 nan 8.370 nan 0.000 0.508 876 T N 0.618 115.254 114.554 0.137 0.000 2.943 876 T HA 0.456 4.806 4.350 -0.000 0.000 0.284 876 T C -2.690 172.136 174.700 0.209 0.000 1.015 876 T CA -2.025 60.183 62.100 0.180 0.000 1.042 876 T CB 1.392 70.398 68.868 0.229 0.000 1.055 876 T HN -0.212 nan 8.240 nan 0.000 0.500 877 P HA 0.196 nan 4.420 nan 0.000 0.271 877 P C -0.598 176.991 177.300 0.482 0.000 1.216 877 P CA -0.216 62.984 63.100 0.166 0.000 0.771 877 P CB 0.112 31.893 31.700 0.135 0.000 0.864 878 H N 3.079 122.489 119.070 0.566 0.000 3.034 878 H HA 0.074 4.630 4.556 -0.000 0.000 0.324 878 H C -1.901 173.762 175.328 0.558 0.000 1.015 878 H CA -1.634 54.692 56.048 0.463 0.000 1.429 878 H CB -0.962 29.005 29.762 0.341 0.000 1.429 878 H HN 0.300 nan 8.280 nan 0.000 0.585 879 P HA 0.082 nan 4.420 nan 0.000 0.275 879 P C 0.451 177.668 177.300 -0.138 0.000 1.228 879 P CA -0.300 62.860 63.100 0.101 0.000 0.786 879 P CB 0.771 32.374 31.700 -0.162 0.000 0.927 880 A N 3.482 125.994 122.820 -0.513 0.000 1.972 880 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 880 A C 1.037 178.246 177.584 -0.625 0.000 1.169 880 A CA 1.571 53.251 52.037 -0.595 0.000 0.635 880 A CB -0.605 17.847 19.000 -0.913 0.000 0.810 880 A HN 0.768 nan 8.150 nan 0.000 0.446 881 R N -3.014 117.159 120.500 -0.545 0.000 2.752 881 R HA 0.689 5.029 4.340 -0.000 0.000 0.277 881 R C -1.893 174.171 176.300 -0.394 0.000 1.024 881 R CA -0.825 54.972 56.100 -0.504 0.000 0.866 881 R CB 0.538 30.486 30.300 -0.587 0.000 1.278 881 R HN 0.035 nan 8.270 nan 0.000 0.473 882 I N 1.160 121.529 120.570 -0.334 0.000 2.540 882 I HA 0.640 4.810 4.170 -0.000 0.000 0.280 882 I C -0.444 175.432 176.117 -0.401 0.000 1.083 882 I CA -0.443 60.661 61.300 -0.326 0.000 1.080 882 I CB 1.728 39.617 38.000 -0.186 0.000 1.205 882 I HN 1.009 nan 8.210 nan 0.000 0.459 883 G N 5.929 114.452 108.800 -0.463 0.000 2.578 883 G HA2 0.725 4.685 3.960 -0.000 0.000 0.302 883 G HA3 0.725 4.685 3.960 -0.000 0.000 0.302 883 G C -1.768 172.957 174.900 -0.292 0.000 1.243 883 G CA -0.525 44.357 45.100 -0.363 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.673 121.771 121.223 -0.209 0.000 2.327 884 L HA 0.681 5.021 4.340 -0.000 0.000 0.258 884 L C -0.846 175.919 176.870 -0.175 0.000 1.024 884 L CA -1.139 53.600 54.840 -0.168 0.000 0.825 884 L CB 2.639 44.663 42.059 -0.058 0.000 1.386 884 L HN 0.875 nan 8.230 nan 0.000 0.417 885 N N 0.226 118.852 118.700 -0.124 0.000 2.927 885 N HA 0.689 5.429 4.740 -0.000 0.000 0.248 885 N C -1.275 174.244 175.510 0.015 0.000 1.443 885 N CA -0.552 52.460 53.050 -0.064 0.000 0.870 885 N CB 2.169 40.634 38.487 -0.036 0.000 1.444 885 N HN 0.884 nan 8.380 nan 0.000 0.519 886 C N -1.927 117.420 119.300 0.079 0.000 3.253 886 C HA 0.566 5.026 4.460 -0.000 0.000 0.342 886 C C -1.378 173.531 174.990 -0.136 0.000 1.306 886 C CA -0.860 58.178 59.018 0.033 0.000 1.207 886 C CB 0.936 28.681 27.740 0.008 0.000 1.479 886 C HN 0.880 nan 8.230 nan 0.000 0.469 887 Q N 1.360 120.870 119.800 -0.484 0.000 2.372 887 Q HA 0.640 4.980 4.340 -0.000 0.000 0.259 887 Q C -1.010 174.714 176.000 -0.460 0.000 0.993 887 Q CA -0.423 54.825 55.803 -0.925 0.000 0.854 887 Q CB 0.823 28.636 28.738 -1.542 0.000 1.231 887 Q HN 0.756 nan 8.270 nan 0.000 0.462 888 L N 2.742 123.779 121.223 -0.310 0.000 2.397 888 L HA 0.257 4.597 4.340 -0.000 0.000 0.271 888 L C 1.200 177.983 176.870 -0.146 0.000 1.148 888 L CA -0.236 54.526 54.840 -0.129 0.000 0.825 888 L CB 0.962 43.040 42.059 0.032 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 2.545 125.299 122.820 -0.109 0.000 1.969 889 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 889 A C 1.132 178.680 177.584 -0.061 0.000 1.169 889 A CA 0.757 52.728 52.037 -0.109 0.000 0.635 889 A CB -0.262 18.668 19.000 -0.115 0.000 0.810 889 A HN 0.817 nan 8.150 nan 0.000 0.445 890 Q N -0.598 119.195 119.800 -0.010 0.000 2.382 890 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 890 Q C -1.128 174.882 176.000 0.016 0.000 1.006 890 Q CA 0.098 55.893 55.803 -0.014 0.000 0.916 890 Q CB 0.936 29.670 28.738 -0.007 0.000 1.235 890 Q HN 0.141 nan 8.270 nan 0.000 0.512 891 V N 2.093 121.983 119.914 -0.039 0.000 2.610 891 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 891 V C -0.868 175.178 176.094 -0.080 0.000 1.067 891 V CA -0.118 62.196 62.300 0.024 0.000 0.894 891 V CB 1.099 32.932 31.823 0.017 0.000 1.015 891 V HN 0.946 nan 8.190 nan 0.000 0.432 892 A N 3.279 126.008 122.820 -0.152 0.000 2.347 892 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 892 A C 0.632 178.258 177.584 0.071 0.000 1.163 892 A CA -0.302 51.630 52.037 -0.176 0.000 0.860 892 A CB 1.496 20.194 19.000 -0.505 0.000 1.367 892 A HN 0.734 nan 8.150 nan 0.000 0.461 893 E N -0.296 119.932 120.200 0.047 0.000 2.060 893 E HA 0.070 4.420 4.350 -0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.143 0.000 0.974 893 E CA 1.019 57.471 56.400 0.086 0.000 0.808 893 E CB 0.141 29.868 29.700 0.046 0.000 0.768 893 E HN 0.527 nan 8.360 nan 0.000 0.453 894 R N -0.576 120.020 120.500 0.159 0.000 2.856 894 R HA 0.602 4.942 4.340 -0.000 0.000 0.258 894 R C -1.091 175.397 176.300 0.312 0.000 1.066 894 R CA -0.923 55.297 56.100 0.200 0.000 1.045 894 R CB 2.140 32.525 30.300 0.143 0.000 1.178 894 R HN -0.134 nan 8.270 nan 0.000 0.499 895 V N 1.550 121.651 119.914 0.312 0.000 2.623 895 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 895 V C -0.653 175.709 176.094 0.447 0.000 1.054 895 V CA -0.948 61.574 62.300 0.371 0.000 0.882 895 V CB 1.913 33.908 31.823 0.287 0.000 1.002 895 V HN 0.719 nan 8.190 nan 0.000 0.424 896 N N 4.069 123.023 118.700 0.423 0.000 2.352 896 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 896 N C -1.468 174.313 175.510 0.451 0.000 1.040 896 N CA -0.399 52.871 53.050 0.367 0.000 0.864 896 N CB 2.913 41.508 38.487 0.180 0.000 1.440 896 N HN 0.830 nan 8.380 nan 0.000 0.483 897 W N 3.138 124.496 121.300 0.096 0.000 3.074 897 W HA 0.614 5.274 4.660 -0.000 0.000 0.332 897 W C -2.146 174.375 176.519 0.003 0.000 1.253 897 W CA -1.072 56.314 57.345 0.068 0.000 1.180 897 W CB 0.734 30.265 29.460 0.119 0.000 1.445 897 W HN 0.237 nan 8.180 nan 0.000 0.573 898 L N 3.909 125.146 121.223 0.023 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.022 176.799 176.870 -0.082 0.000 1.012 898 L CA 0.394 55.081 54.840 -0.256 0.000 0.859 898 L CB 0.756 42.717 42.059 -0.162 0.000 1.224 898 L HN 1.029 nan 8.230 nan 0.000 0.429 899 G N 3.661 112.325 108.800 -0.226 0.000 2.392 899 G HA2 0.190 4.150 3.960 -0.000 0.000 0.260 899 G HA3 0.190 4.150 3.960 -0.000 0.000 0.260 899 G C -1.586 173.466 174.900 0.254 0.000 1.226 899 G CA -1.010 44.175 45.100 0.142 0.000 0.913 899 G HN 0.369 nan 8.290 nan 0.000 0.483 900 L N 1.524 122.975 121.223 0.381 0.000 2.361 900 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 900 L C 0.966 177.903 176.870 0.112 0.000 1.113 900 L CA 0.509 55.492 54.840 0.239 0.000 0.849 900 L CB 0.442 42.572 42.059 0.120 0.000 1.155 900 L HN 0.975 nan 8.230 nan 0.000 0.452 901 G N 3.560 112.162 108.800 -0.329 0.000 2.606 901 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 901 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 901 G C -2.749 171.286 174.900 -1.442 0.000 1.360 901 G CA -0.376 44.056 45.100 -1.114 0.000 0.783 901 G HN 0.306 nan 8.290 nan 0.000 0.484 902 P HA 0.135 nan 4.420 nan 0.000 0.252 902 P C 0.209 177.303 177.300 -0.343 0.000 1.211 902 P CA 0.304 62.807 63.100 -0.995 0.000 0.824 902 P CB 0.614 31.884 31.700 -0.717 0.000 1.077 903 Q N 0.822 120.424 119.800 -0.330 0.000 2.318 903 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 903 Q C 0.336 176.210 176.000 -0.210 0.000 1.003 903 Q CA -0.526 55.153 55.803 -0.205 0.000 0.936 903 Q CB 0.785 29.430 28.738 -0.155 0.000 1.204 903 Q HN 0.175 nan 8.270 nan 0.000 0.524 904 E N 1.389 121.475 120.200 -0.190 0.000 2.708 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.260 904 E C -1.027 175.482 176.600 -0.152 0.000 0.937 904 E CA 0.361 56.641 56.400 -0.201 0.000 0.953 904 E CB 0.200 29.854 29.700 -0.077 0.000 0.915 904 E HN 0.612 nan 8.360 nan 0.000 0.487 905 N N 2.774 121.302 118.700 -0.287 0.000 2.308 905 N HA 0.346 5.086 4.740 -0.000 0.000 0.283 905 N C -1.857 173.411 175.510 -0.404 0.000 1.105 905 N CA -0.679 52.257 53.050 -0.190 0.000 0.840 905 N CB 0.737 39.134 38.487 -0.150 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N -0.184 120.027 120.300 -0.148 0.000 2.602 906 Y HA 0.514 5.064 4.550 -0.000 0.000 0.342 906 Y C -1.654 174.179 175.900 -0.112 0.000 1.029 906 Y CA -2.061 55.942 58.100 -0.162 0.000 1.080 906 Y CB 1.751 40.108 38.460 -0.172 0.000 1.284 906 Y HN 0.423 nan 8.280 nan 0.000 0.485 907 P HA -0.189 nan 4.420 nan 0.000 0.216 907 P C 0.437 177.676 177.300 -0.102 0.000 1.157 907 P CA 2.209 65.358 63.100 0.080 0.000 0.880 907 P CB 0.182 32.014 31.700 0.221 0.000 0.791 908 D N -2.105 118.037 120.400 -0.431 0.000 2.358 908 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 908 D C 0.553 176.713 176.300 -0.233 0.000 1.123 908 D CA 0.032 53.574 54.000 -0.763 0.000 0.833 908 D CB -0.246 39.766 40.800 -1.312 0.000 0.946 908 D HN 0.139 nan 8.370 nan 0.000 0.505 909 R N 1.018 121.480 120.500 -0.064 0.000 2.928 909 R HA 0.213 4.553 4.340 -0.000 0.000 0.248 909 R C -0.762 175.573 176.300 0.058 0.000 1.796 909 R CA -0.218 55.899 56.100 0.029 0.000 1.477 909 R CB 0.083 30.401 30.300 0.031 0.000 1.484 909 R HN 0.117 nan 8.270 nan 0.000 0.623 910 L N -0.895 120.373 121.223 0.074 0.000 3.664 910 L HA 0.289 4.629 4.340 -0.000 0.000 0.341 910 L C 1.238 178.171 176.870 0.105 0.000 1.247 910 L CA 0.227 55.108 54.840 0.068 0.000 1.133 910 L CB 0.113 42.194 42.059 0.038 0.000 1.498 910 L HN 0.162 nan 8.230 nan 0.000 0.628 911 T N -2.374 112.270 114.554 0.150 0.000 2.881 911 T HA 0.000 4.350 4.350 -0.000 0.000 0.270 911 T C 1.700 176.502 174.700 0.170 0.000 1.068 911 T CA 1.393 63.608 62.100 0.192 0.000 1.131 911 T CB -0.295 68.728 68.868 0.257 0.000 0.871 911 T HN 0.431 nan 8.240 nan 0.000 0.479 912 A N 1.284 124.210 122.820 0.177 0.000 2.119 912 A HA 0.676 4.996 4.320 -0.000 0.000 0.216 912 A C 1.687 179.368 177.584 0.162 0.000 1.152 912 A CA 0.494 52.605 52.037 0.124 0.000 0.708 912 A CB -0.864 18.320 19.000 0.307 0.000 0.805 912 A HN 0.822 nan 8.150 nan 0.000 0.460 916 D N 3.058 122.875 120.400 -0.972 0.000 3.145 916 D HA 0.324 4.964 4.640 -0.000 0.000 0.345 916 D C -1.508 173.878 176.300 -1.523 0.000 1.391 916 D CA -0.675 52.574 54.000 -1.252 0.000 0.930 916 D CB 2.204 42.221 40.800 -1.305 0.000 1.451 916 D HN 0.628 nan 8.370 nan 0.000 0.555 917 R N 0.523 120.175 120.500 -1.414 0.000 2.229 917 R HA 0.478 4.818 4.340 -0.000 0.000 0.332 917 R C -1.274 174.219 176.300 -1.345 0.000 0.989 917 R CA -0.413 55.011 56.100 -1.126 0.000 0.842 917 R CB 0.505 30.416 30.300 -0.647 0.000 1.119 917 R HN 0.240 nan 8.270 nan 0.000 0.456 918 W N 2.782 123.522 121.300 -0.934 0.000 2.689 918 W HA 0.402 5.062 4.660 -0.000 0.000 0.340 918 W C -0.447 175.682 176.519 -0.650 0.000 1.060 918 W CA -0.638 56.101 57.345 -1.010 0.000 1.218 918 W CB 1.566 29.885 29.460 -1.902 0.000 1.410 918 W HN 0.337 nan 8.180 nan 0.000 0.528 919 D N 3.104 123.449 120.400 -0.091 0.000 2.686 919 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 919 D C -1.275 175.122 176.300 0.162 0.000 1.260 919 D CA -0.121 53.926 54.000 0.078 0.000 0.910 919 D CB 1.210 42.022 40.800 0.020 0.000 1.323 919 D HN 0.393 nan 8.370 nan 0.000 0.561 920 L N 2.654 124.044 121.223 0.279 0.000 2.397 920 L HA 0.561 4.901 4.340 -0.000 0.000 0.251 920 L C -2.557 174.436 176.870 0.205 0.000 1.064 920 L CA -2.134 52.845 54.840 0.232 0.000 0.859 920 L CB 2.734 44.964 42.059 0.284 0.000 1.468 920 L HN 0.187 nan 8.230 nan 0.000 0.411 921 P HA 0.166 nan 4.420 nan 0.000 0.290 921 P C 0.463 177.841 177.300 0.131 0.000 1.276 921 P CA -0.509 62.669 63.100 0.131 0.000 0.808 921 P CB 1.322 33.078 31.700 0.094 0.000 0.966 922 L N 3.677 124.983 121.223 0.139 0.000 2.085 922 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 922 L C 2.188 179.110 176.870 0.088 0.000 1.080 922 L CA 2.844 57.753 54.840 0.114 0.000 0.776 922 L CB -1.525 40.615 42.059 0.135 0.000 0.891 922 L HN 0.450 nan 8.230 nan 0.000 0.437 923 S N -1.814 113.940 115.700 0.090 0.000 2.400 923 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 923 S C 1.624 176.294 174.600 0.117 0.000 1.025 923 S CA 1.243 59.505 58.200 0.103 0.000 0.993 923 S CB -0.774 62.477 63.200 0.084 0.000 0.808 923 S HN 0.528 nan 8.310 nan 0.000 0.478 924 D N 1.320 121.771 120.400 0.085 0.000 2.348 924 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 924 D C 1.193 177.509 176.300 0.027 0.000 0.970 924 D CA 0.605 54.638 54.000 0.055 0.000 0.889 924 D CB -0.184 40.653 40.800 0.061 0.000 0.912 924 D HN 0.415 nan 8.370 nan 0.000 0.524 925 M N -0.231 119.395 119.600 0.043 0.000 2.581 925 M HA 0.081 4.561 4.480 -0.000 0.000 0.224 925 M C -0.156 176.163 176.300 0.031 0.000 1.171 925 M CA -0.021 55.263 55.300 -0.028 0.000 0.993 925 M CB -0.964 31.600 32.600 -0.060 0.000 1.685 925 M HN -0.053 nan 8.290 nan 0.000 0.479 926 Y N -0.158 120.097 120.300 -0.075 0.000 2.425 926 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 926 Y C -0.854 174.965 175.900 -0.134 0.000 0.969 926 Y CA -0.803 57.255 58.100 -0.070 0.000 1.052 926 Y CB 1.530 40.002 38.460 0.020 0.000 1.215 926 Y HN -0.077 nan 8.280 nan 0.000 0.451 927 T N 8.631 122.640 114.554 -0.907 0.000 2.893 927 T HA 0.261 4.611 4.350 -0.000 0.000 0.324 927 T C -2.658 171.198 174.700 -1.407 0.000 1.082 927 T CA -1.494 59.981 62.100 -1.041 0.000 0.983 927 T CB 0.961 69.330 68.868 -0.831 0.000 1.005 927 T HN 0.448 nan 8.240 nan 0.000 0.475 928 P HA 0.039 nan 4.420 nan 0.000 0.246 928 P C -0.565 176.558 177.300 -0.295 0.000 1.675 928 P CA -0.301 62.358 63.100 -0.735 0.000 0.908 928 P CB -0.895 30.527 31.700 -0.462 0.000 1.890 929 Y N -0.430 119.754 120.300 -0.194 0.000 2.632 929 Y HA -0.090 4.460 4.550 -0.000 0.000 0.329 929 Y C 2.272 178.187 175.900 0.026 0.000 1.174 929 Y CA -0.496 57.567 58.100 -0.062 0.000 1.469 929 Y CB 0.495 38.871 38.460 -0.141 0.000 1.242 929 Y HN -0.126 nan 8.280 nan 0.000 0.540 930 V N 4.316 124.419 119.914 0.315 0.000 2.250 930 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 930 V C 0.626 176.872 176.094 0.253 0.000 1.060 930 V CA 1.678 64.147 62.300 0.280 0.000 1.030 930 V CB -0.511 31.512 31.823 0.334 0.000 0.643 930 V HN 0.606 nan 8.190 nan 0.000 0.445 931 F N 3.399 123.384 119.950 0.059 0.000 2.391 931 F HA 0.512 5.039 4.527 -0.000 0.000 0.359 931 F C -2.325 173.472 175.800 -0.005 0.000 1.122 931 F CA -3.188 54.799 58.000 -0.023 0.000 1.120 931 F CB 0.962 39.837 39.000 -0.208 0.000 1.142 931 F HN -0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.352 nan 4.420 nan 0.000 0.278 932 P C -1.228 175.767 177.300 -0.508 0.000 1.238 932 P CA -0.183 62.653 63.100 -0.440 0.000 0.794 932 P CB 1.662 33.168 31.700 -0.324 0.000 0.955 933 S N -0.356 115.237 115.700 -0.178 0.000 2.656 933 S HA 0.375 4.845 4.470 -0.000 0.000 0.265 933 S C -0.834 173.757 174.600 -0.016 0.000 1.132 933 S CA -0.934 57.212 58.200 -0.089 0.000 0.819 933 S CB 0.246 63.430 63.200 -0.028 0.000 1.119 933 S HN 0.385 nan 8.310 nan 0.000 0.476 934 E N 1.228 121.430 120.200 0.002 0.000 2.568 934 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 934 E C -0.078 176.567 176.600 0.075 0.000 0.961 934 E CA 1.140 57.564 56.400 0.039 0.000 0.945 934 E CB -0.314 29.432 29.700 0.077 0.000 0.924 934 E HN 0.835 nan 8.360 nan 0.000 0.467 935 N N 1.176 119.950 118.700 0.123 0.000 3.261 935 N HA 0.466 5.206 4.740 -0.000 0.000 0.248 935 N C 0.255 175.810 175.510 0.075 0.000 1.498 935 N CA -0.654 52.509 53.050 0.188 0.000 0.884 935 N CB 0.510 39.090 38.487 0.155 0.000 1.428 935 N HN 0.738 nan 8.380 nan 0.000 0.517 936 G N -1.397 107.411 108.800 0.014 0.000 2.189 936 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 936 G C -0.148 174.504 174.900 -0.414 0.000 0.975 936 G CA 0.565 45.559 45.100 -0.178 0.000 0.644 936 G HN 0.705 nan 8.290 nan 0.000 0.537 937 L N 0.970 121.877 121.223 -0.528 0.000 2.506 937 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 937 L C 0.733 177.033 176.870 -0.951 0.000 1.228 937 L CA 0.324 54.616 54.840 -0.912 0.000 0.850 937 L CB 0.378 41.587 42.059 -1.416 0.000 1.110 937 L HN 0.314 nan 8.230 nan 0.000 0.496 938 R N 3.854 123.709 120.500 -1.075 0.000 2.532 938 R HA 0.476 4.816 4.340 -0.000 0.000 0.297 938 R C -1.066 174.867 176.300 -0.611 0.000 0.984 938 R CA -0.618 54.977 56.100 -0.841 0.000 0.884 938 R CB 0.731 30.491 30.300 -0.900 0.000 1.182 938 R HN 0.618 nan 8.270 nan 0.000 0.442 939 C N -0.442 118.649 119.300 -0.348 0.000 2.380 939 C HA 0.717 5.177 4.460 -0.000 0.000 0.393 939 C C 1.361 176.327 174.990 -0.040 0.000 1.284 939 C CA 0.086 58.988 59.018 -0.193 0.000 2.033 939 C CB 0.964 28.618 27.740 -0.144 0.000 2.165 939 C HN 1.057 nan 8.230 nan 0.000 0.540 940 G N 1.691 110.482 108.800 -0.016 0.000 2.338 940 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.296 940 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.296 940 G C -0.143 174.818 174.900 0.102 0.000 1.040 940 G CA 0.472 45.611 45.100 0.065 0.000 1.004 940 G HN 0.829 nan 8.290 nan 0.000 0.509 941 T N -0.510 113.974 114.554 -0.116 0.000 2.837 941 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 941 T C 1.430 175.833 174.700 -0.495 0.000 0.984 941 T CA -0.529 61.444 62.100 -0.212 0.000 1.049 941 T CB 1.706 70.420 68.868 -0.257 0.000 0.947 941 T HN 0.332 nan 8.240 nan 0.000 0.472 942 R N 0.908 121.325 120.500 -0.138 0.000 2.287 942 R HA 0.254 4.594 4.340 -0.000 0.000 0.197 942 R C 0.449 176.801 176.300 0.087 0.000 0.900 942 R CA 0.149 56.237 56.100 -0.020 0.000 1.052 942 R CB 0.857 31.266 30.300 0.182 0.000 1.117 942 R HN 0.642 nan 8.270 nan 0.000 0.568 943 E N 1.054 121.323 120.200 0.114 0.000 2.304 943 E HA 0.287 4.637 4.350 -0.000 0.000 0.277 943 E C -1.990 174.766 176.600 0.260 0.000 0.898 943 E CA -0.630 55.905 56.400 0.226 0.000 0.764 943 E CB 1.766 31.567 29.700 0.167 0.000 1.216 943 E HN -0.113 nan 8.360 nan 0.000 0.419 944 L N 4.168 125.602 121.223 0.352 0.000 2.410 944 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 944 L C -1.933 175.177 176.870 0.400 0.000 0.983 944 L CA -0.445 54.561 54.840 0.277 0.000 0.822 944 L CB 1.813 43.888 42.059 0.027 0.000 1.285 944 L HN 0.469 nan 8.230 nan 0.000 0.409 945 N N 4.472 123.368 118.700 0.328 0.000 2.346 945 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 945 N C -2.001 173.761 175.510 0.421 0.000 1.027 945 N CA -0.215 53.034 53.050 0.331 0.000 0.864 945 N CB 2.034 40.647 38.487 0.211 0.000 1.370 945 N HN 0.604 nan 8.380 nan 0.000 0.481 946 Y N 1.372 121.853 120.300 0.301 0.000 2.330 946 Y HA 0.447 4.997 4.550 -0.000 0.000 0.324 946 Y C 0.577 176.618 175.900 0.235 0.000 1.093 946 Y CA 0.116 58.370 58.100 0.257 0.000 1.103 946 Y CB 0.616 39.252 38.460 0.293 0.000 1.183 946 Y HN 0.840 nan 8.280 nan 0.000 0.433 947 G N 6.493 115.208 108.800 -0.140 0.000 2.547 947 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 947 G C -1.831 173.009 174.900 -0.101 0.000 1.209 947 G CA -0.067 44.924 45.100 -0.182 0.000 0.959 947 G HN 0.553 nan 8.290 nan 0.000 0.563 948 P HA 0.093 nan 4.420 nan 0.000 0.237 948 P C 0.513 177.574 177.300 -0.399 0.000 1.178 948 P CA 1.107 64.029 63.100 -0.295 0.000 0.766 948 P CB -0.111 31.340 31.700 -0.416 0.000 0.876 949 H N -0.361 118.663 119.070 -0.076 0.000 2.505 949 H HA 0.513 5.069 4.556 -0.000 0.000 0.351 949 H C 0.334 175.440 175.328 -0.369 0.000 1.151 949 H CA -0.126 55.759 56.048 -0.271 0.000 1.339 949 H CB 0.764 30.200 29.762 -0.544 0.000 1.483 949 H HN -0.058 nan 8.280 nan 0.000 0.558 950 Q N 2.115 121.647 119.800 -0.446 0.000 2.284 950 Q HA 0.251 4.591 4.340 -0.000 0.000 0.269 950 Q C -1.933 173.821 176.000 -0.410 0.000 1.026 950 Q CA -0.728 54.925 55.803 -0.250 0.000 0.831 950 Q CB 1.668 30.389 28.738 -0.028 0.000 1.322 950 Q HN 0.623 nan 8.270 nan 0.000 0.419 951 W N 3.609 124.911 121.300 0.004 0.000 2.736 951 W HA 0.649 5.309 4.660 -0.000 0.000 0.335 951 W C -0.292 176.325 176.519 0.163 0.000 1.059 951 W CA -0.909 56.408 57.345 -0.047 0.000 1.226 951 W CB 2.177 31.422 29.460 -0.359 0.000 1.416 951 W HN 0.524 nan 8.180 nan 0.000 0.505 952 R N 0.602 121.357 120.500 0.425 0.000 2.673 952 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 952 R C 0.075 176.653 176.300 0.463 0.000 0.991 952 R CA -0.497 55.864 56.100 0.434 0.000 0.896 952 R CB 2.418 32.884 30.300 0.277 0.000 1.201 952 R HN 0.789 nan 8.270 nan 0.000 0.457 953 G N 0.916 110.013 108.800 0.496 0.000 2.564 953 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.139 953 G C -1.758 173.309 174.900 0.278 0.000 1.147 953 G CA -0.402 44.947 45.100 0.414 0.000 1.031 953 G HN 0.483 nan 8.290 nan 0.000 0.482 954 D N 0.438 121.024 120.400 0.310 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.983 175.367 176.300 0.083 0.000 1.306 954 D CA -0.228 53.814 54.000 0.070 0.000 0.956 954 D CB 0.818 41.671 40.800 0.088 0.000 1.261 954 D HN 0.455 nan 8.370 nan 0.000 0.544 955 F N 0.099 120.051 119.950 0.003 0.000 3.016 955 F HA 0.595 5.122 4.527 -0.000 0.000 0.324 955 F C -1.214 174.561 175.800 -0.043 0.000 1.196 955 F CA -1.021 56.922 58.000 -0.095 0.000 0.929 955 F CB 0.719 39.650 39.000 -0.115 0.000 1.440 955 F HN -0.134 nan 8.300 nan 0.000 0.505 956 Q N 1.361 121.264 119.800 0.172 0.000 2.413 956 Q HA 0.707 5.047 4.340 -0.000 0.000 0.276 956 Q C -1.417 174.689 176.000 0.178 0.000 1.099 956 Q CA -0.556 55.267 55.803 0.035 0.000 0.814 956 Q CB 2.968 31.590 28.738 -0.194 0.000 1.379 956 Q HN 0.957 nan 8.270 nan 0.000 0.436 957 F N -1.276 118.559 119.950 -0.191 0.000 2.779 957 F HA 0.771 5.298 4.527 -0.000 0.000 0.316 957 F C -1.837 173.754 175.800 -0.349 0.000 1.164 957 F CA -1.037 56.813 58.000 -0.249 0.000 0.924 957 F CB 1.462 40.326 39.000 -0.226 0.000 1.348 957 F HN 0.642 nan 8.300 nan 0.000 0.467 958 N N 0.893 119.448 118.700 -0.241 0.000 2.494 958 N HA 0.711 5.451 4.740 -0.000 0.000 0.270 958 N C -2.188 173.301 175.510 -0.035 0.000 1.285 958 N CA -0.704 52.168 53.050 -0.296 0.000 0.812 958 N CB 2.529 40.839 38.487 -0.295 0.000 1.557 958 N HN 1.146 nan 8.380 nan 0.000 0.487 959 I N 0.373 120.902 120.570 -0.067 0.000 2.649 959 I HA 0.659 4.829 4.170 -0.000 0.000 0.289 959 I C -1.260 174.810 176.117 -0.078 0.000 1.222 959 I CA 0.086 61.323 61.300 -0.104 0.000 1.046 959 I CB 1.267 39.140 38.000 -0.212 0.000 1.272 959 I HN 1.058 nan 8.210 nan 0.000 0.425 960 S N 6.337 122.016 115.700 -0.034 0.000 2.755 960 S HA 0.554 5.024 4.470 -0.000 0.000 0.286 960 S C -0.321 174.242 174.600 -0.061 0.000 1.207 960 S CA -0.965 57.224 58.200 -0.019 0.000 0.892 960 S CB 1.627 64.895 63.200 0.113 0.000 1.240 960 S HN 0.623 nan 8.310 nan 0.000 0.525 961 R N -0.020 120.289 120.500 -0.318 0.000 2.507 961 R HA 0.290 4.630 4.340 -0.000 0.000 0.298 961 R C -1.102 174.864 176.300 -0.556 0.000 0.999 961 R CA 0.146 55.974 56.100 -0.453 0.000 1.082 961 R CB -0.489 29.408 30.300 -0.673 0.000 1.246 961 R HN 0.623 nan 8.270 nan 0.000 0.553 962 Y N 0.304 120.609 120.300 0.008 0.000 2.391 962 Y HA 0.233 4.783 4.550 -0.000 0.000 0.341 962 Y C 0.704 176.370 175.900 -0.390 0.000 0.965 962 Y CA -1.204 56.804 58.100 -0.154 0.000 1.067 962 Y CB 1.512 39.829 38.460 -0.238 0.000 1.199 962 Y HN -0.074 nan 8.280 nan 0.000 0.450 963 S N 1.755 117.121 115.700 -0.557 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.883 175.175 174.600 -0.514 0.000 1.334 963 S CA -0.635 56.901 58.200 -1.107 0.000 1.015 963 S CB 1.114 63.676 63.200 -1.063 0.000 0.912 963 S HN 0.759 nan 8.310 nan 0.000 0.541 964 Q N 0.727 120.229 119.800 -0.497 0.000 2.124 964 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 964 Q C 2.225 178.102 176.000 -0.204 0.000 0.977 964 Q CA 1.872 57.518 55.803 -0.262 0.000 0.850 964 Q CB -0.509 28.111 28.738 -0.198 0.000 0.901 964 Q HN 0.965 nan 8.270 nan 0.000 0.429 965 Q N 0.689 120.348 119.800 -0.236 0.000 2.096 965 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 965 Q C 2.149 178.070 176.000 -0.132 0.000 0.982 965 Q CA 1.434 57.148 55.803 -0.147 0.000 0.850 965 Q CB 0.024 28.691 28.738 -0.118 0.000 0.901 965 Q HN 0.387 nan 8.270 nan 0.000 0.422 966 Q N 0.116 119.822 119.800 -0.158 0.000 2.030 966 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 966 Q C 2.294 178.210 176.000 -0.140 0.000 0.986 966 Q CA 1.735 57.465 55.803 -0.122 0.000 0.843 966 Q CB -0.192 28.467 28.738 -0.131 0.000 0.904 966 Q HN 0.492 nan 8.270 nan 0.000 0.420 967 L N 0.112 121.238 121.223 -0.162 0.000 2.043 967 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 967 L C 2.719 179.476 176.870 -0.189 0.000 1.075 967 L CA 1.442 56.171 54.840 -0.185 0.000 0.752 967 L CB -0.424 41.545 42.059 -0.151 0.000 0.891 967 L HN 0.433 nan 8.230 nan 0.000 0.432 968 M N -0.513 119.001 119.600 -0.143 0.000 2.229 968 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 968 M C 1.728 177.965 176.300 -0.106 0.000 1.063 968 M CA 1.677 56.905 55.300 -0.120 0.000 1.114 968 M CB 0.098 32.636 32.600 -0.105 0.000 1.387 968 M HN 0.189 nan 8.290 nan 0.000 0.420 969 E N -0.655 119.488 120.200 -0.095 0.000 2.474 969 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 969 E C -0.230 176.339 176.600 -0.051 0.000 1.041 969 E CA 0.149 56.515 56.400 -0.057 0.000 0.874 969 E CB 0.436 30.113 29.700 -0.037 0.000 0.914 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.253 114.748 114.554 -0.098 0.000 2.837 970 T HA 0.107 4.457 4.350 -0.000 0.000 0.285 970 T C 1.117 175.750 174.700 -0.110 0.000 0.984 970 T CA -0.402 61.645 62.100 -0.087 0.000 1.049 970 T CB 1.678 70.472 68.868 -0.124 0.000 0.947 970 T HN 0.033 nan 8.240 nan 0.000 0.472 971 S N 1.478 117.204 115.700 0.044 0.000 2.486 971 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 971 S C 0.245 174.939 174.600 0.157 0.000 1.011 971 S CA 0.132 58.427 58.200 0.158 0.000 0.921 971 S CB -0.174 63.266 63.200 0.399 0.000 0.785 971 S HN 0.729 nan 8.310 nan 0.000 0.517 972 H N 0.707 119.813 119.070 0.060 0.000 2.717 972 H HA 0.532 5.088 4.556 -0.000 0.000 0.366 972 H C 1.036 176.409 175.328 0.076 0.000 1.132 972 H CA -0.769 55.391 56.048 0.186 0.000 1.180 972 H CB 1.495 31.460 29.762 0.338 0.000 1.678 972 H HN 0.123 nan 8.280 nan 0.000 0.537 973 R N 1.538 122.199 120.500 0.269 0.000 2.091 973 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 973 R C 1.347 177.713 176.300 0.109 0.000 1.136 973 R CA 2.002 58.181 56.100 0.132 0.000 0.959 973 R CB -0.622 29.758 30.300 0.134 0.000 0.856 973 R HN 0.792 nan 8.270 nan 0.000 0.437 974 H N 1.682 120.778 119.070 0.044 0.000 2.518 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.292 974 H C 1.435 176.711 175.328 -0.087 0.000 1.068 974 H CA 1.066 57.097 56.048 -0.028 0.000 1.275 974 H CB -0.252 29.484 29.762 -0.043 0.000 1.375 974 H HN 0.356 nan 8.280 nan 0.000 0.563 975 L N 0.828 121.755 121.223 -0.494 0.000 2.611 975 L HA 0.256 4.596 4.340 -0.000 0.000 0.229 975 L C 0.306 177.095 176.870 -0.135 0.000 1.137 975 L CA -0.147 54.457 54.840 -0.393 0.000 0.901 975 L CB -0.001 41.813 42.059 -0.409 0.000 1.098 975 L HN 0.022 nan 8.230 nan 0.000 0.456 976 L N 0.842 121.995 121.223 -0.116 0.000 2.375 976 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 976 L C 0.188 177.110 176.870 0.087 0.000 1.107 976 L CA -0.423 54.363 54.840 -0.090 0.000 0.806 976 L CB 0.746 42.593 42.059 -0.353 0.000 1.146 976 L HN 0.148 nan 8.230 nan 0.000 0.447 977 H N 1.363 120.515 119.070 0.137 0.000 2.600 977 H HA 0.654 5.210 4.556 -0.000 0.000 0.357 977 H C -0.762 174.629 175.328 0.105 0.000 1.106 977 H CA -1.179 54.934 56.048 0.108 0.000 1.193 977 H CB 1.376 31.151 29.762 0.022 0.000 1.594 977 H HN 0.713 nan 8.280 nan 0.000 0.526 978 A N 3.467 126.278 122.820 -0.015 0.000 2.531 978 A HA 0.099 4.419 4.320 -0.000 0.000 0.236 978 A C 0.329 177.853 177.584 -0.099 0.000 1.062 978 A CA -0.145 51.704 52.037 -0.314 0.000 0.760 978 A CB 0.064 18.909 19.000 -0.260 0.000 0.995 978 A HN 0.859 nan 8.150 nan 0.000 0.501 979 E N 0.569 120.672 120.200 -0.163 0.000 2.292 979 E HA 0.150 4.500 4.350 -0.000 0.000 0.258 979 E C 0.624 177.205 176.600 -0.031 0.000 1.115 979 E CA -0.706 55.707 56.400 0.022 0.000 0.929 979 E CB 0.725 30.529 29.700 0.175 0.000 1.161 979 E HN 0.822 nan 8.360 nan 0.000 0.453 980 E N 0.331 120.520 120.200 -0.018 0.000 2.065 980 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 980 E C 0.936 177.466 176.600 -0.117 0.000 1.016 980 E CA 1.776 58.136 56.400 -0.066 0.000 0.818 980 E CB 0.002 29.665 29.700 -0.061 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.458 107.221 108.800 -0.201 0.000 3.407 981 G HA2 0.264 4.224 3.960 -0.000 0.000 0.187 981 G HA3 0.264 4.224 3.960 -0.000 0.000 0.187 981 G C -0.692 174.099 174.900 -0.182 0.000 1.262 981 G CA -0.130 44.862 45.100 -0.181 0.000 0.808 981 G HN 0.109 nan 8.290 nan 0.000 0.687 982 T N 0.486 114.928 114.554 -0.186 0.000 2.812 982 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 982 T C -1.488 173.064 174.700 -0.247 0.000 0.990 982 T CA -0.109 61.912 62.100 -0.131 0.000 0.960 982 T CB 1.495 70.397 68.868 0.055 0.000 0.948 982 T HN 0.321 nan 8.240 nan 0.000 0.438 983 W N 3.222 124.438 121.300 -0.139 0.000 2.316 983 W HA 0.608 5.268 4.660 -0.000 0.000 0.311 983 W C -0.332 176.073 176.519 -0.190 0.000 1.217 983 W CA -0.730 56.530 57.345 -0.143 0.000 1.199 983 W CB 0.831 30.216 29.460 -0.125 0.000 1.202 983 W HN 0.356 nan 8.180 nan 0.000 0.528 984 L N 5.617 126.902 121.223 0.103 0.000 2.381 984 L HA 0.500 4.840 4.340 -0.000 0.000 0.274 984 L C -1.160 175.641 176.870 -0.115 0.000 0.988 984 L CA -0.570 54.200 54.840 -0.117 0.000 0.824 984 L CB 1.066 42.922 42.059 -0.339 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.964 125.580 118.700 -0.141 0.000 2.407 985 N HA 0.496 5.236 4.740 -0.000 0.000 0.277 985 N C -1.189 174.203 175.510 -0.197 0.000 0.995 985 N CA -0.284 52.670 53.050 -0.160 0.000 0.903 985 N CB 2.367 40.779 38.487 -0.126 0.000 1.218 985 N HN 0.541 nan 8.380 nan 0.000 0.487 986 I N 1.755 122.160 120.570 -0.275 0.000 2.382 986 I HA 0.236 4.405 4.170 -0.000 0.000 0.285 986 I C -0.641 175.312 176.117 -0.274 0.000 1.007 986 I CA -0.624 60.484 61.300 -0.320 0.000 1.142 986 I CB 1.471 39.133 38.000 -0.563 0.000 1.289 986 I HN 0.157 nan 8.210 nan 0.000 0.453 987 D N 4.529 124.804 120.400 -0.209 0.000 2.217 987 D HA 0.298 4.938 4.640 -0.000 0.000 0.243 987 D C 0.989 177.023 176.300 -0.442 0.000 1.054 987 D CA -0.198 53.624 54.000 -0.296 0.000 0.838 987 D CB 2.486 43.203 40.800 -0.139 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.118 109.374 108.800 -0.907 0.000 2.430 988 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 988 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 988 G C 0.042 174.075 174.900 -1.444 0.000 1.146 988 G CA 0.468 44.751 45.100 -1.362 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.804 117.953 119.950 -0.323 0.000 2.641 989 F HA 0.529 5.056 4.527 -0.000 0.000 0.308 989 F C -0.729 174.986 175.800 -0.142 0.000 1.105 989 F CA -1.231 56.665 58.000 -0.174 0.000 0.964 989 F CB 1.936 40.788 39.000 -0.247 0.000 1.294 989 F HN -0.076 nan 8.300 nan 0.000 0.442 990 H N 2.730 121.832 119.070 0.053 0.000 2.947 990 H HA 0.408 4.964 4.556 -0.000 0.000 0.354 990 H C -1.071 174.289 175.328 0.053 0.000 1.085 990 H CA -0.756 55.288 56.048 -0.007 0.000 1.253 990 H CB 2.367 32.105 29.762 -0.041 0.000 1.757 990 H HN 0.886 nan 8.280 nan 0.000 0.523 991 M N 2.938 122.488 119.600 -0.083 0.000 2.240 991 M HA 0.282 4.762 4.480 -0.000 0.000 0.317 991 M C 0.405 176.822 176.300 0.196 0.000 1.087 991 M CA 0.548 55.873 55.300 0.042 0.000 1.176 991 M CB 0.403 32.926 32.600 -0.128 0.000 1.439 991 M HN 0.684 nan 8.290 nan 0.000 0.452 992 G N 2.275 111.167 108.800 0.153 0.000 2.653 992 G HA2 0.359 4.319 3.960 -0.000 0.000 0.265 992 G HA3 0.359 4.319 3.960 -0.000 0.000 0.265 992 G C 0.521 175.398 174.900 -0.038 0.000 1.237 992 G CA -0.289 44.830 45.100 0.032 0.000 0.946 992 G HN 1.006 nan 8.290 nan 0.000 0.522 993 I N -2.591 117.903 120.570 -0.127 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.134 177.178 176.117 -0.121 0.000 1.274 993 I CA 0.521 61.717 61.300 -0.172 0.000 1.301 993 I CB -0.338 37.468 38.000 -0.323 0.000 1.105 993 I HN 0.957 nan 8.210 nan 0.000 0.427 994 G N 1.622 110.369 108.800 -0.088 0.000 2.645 994 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 994 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 994 G C 0.574 175.465 174.900 -0.015 0.000 1.331 994 G CA 0.139 45.227 45.100 -0.020 0.000 0.890 994 G HN 1.377 nan 8.290 nan 0.000 0.572 995 G N -2.401 106.408 108.800 0.014 0.000 2.613 995 G HA2 0.025 3.985 3.960 -0.000 0.000 0.199 995 G HA3 0.025 3.985 3.960 -0.000 0.000 0.199 995 G C 0.667 175.616 174.900 0.082 0.000 0.991 995 G CA 0.913 46.032 45.100 0.031 0.000 0.756 995 G HN 0.979 nan 8.290 nan 0.000 0.515 996 D N 1.292 121.756 120.400 0.107 0.000 2.203 996 D HA 0.069 4.709 4.640 -0.000 0.000 0.199 996 D C 0.948 177.274 176.300 0.043 0.000 0.997 996 D CA 2.178 56.292 54.000 0.190 0.000 0.863 996 D CB 0.091 41.014 40.800 0.205 0.000 0.928 996 D HN 0.832 nan 8.370 nan 0.000 0.458 997 D N -3.760 116.467 120.400 -0.288 0.000 2.653 997 D HA 0.283 4.923 4.640 -0.000 0.000 0.258 997 D C -0.796 174.997 176.300 -0.845 0.000 1.252 997 D CA -0.722 52.689 54.000 -0.982 0.000 0.777 997 D CB 0.809 40.535 40.800 -1.790 0.000 1.339 997 D HN -0.298 nan 8.370 nan 0.000 0.422 998 S N -0.303 114.717 115.700 -1.134 0.000 2.601 998 S HA 0.233 4.703 4.470 -0.000 0.000 0.244 998 S C -0.483 174.198 174.600 0.135 0.000 1.001 998 S CA -0.654 57.427 58.200 -0.198 0.000 0.984 998 S CB -0.524 62.834 63.200 0.263 0.000 0.842 998 S HN 0.610 nan 8.310 nan 0.000 0.474 999 W N 1.234 122.476 121.300 -0.096 0.000 2.252 999 W HA 0.578 5.238 4.660 -0.000 0.000 0.338 999 W C -0.043 176.430 176.519 -0.077 0.000 0.914 999 W CA -0.640 56.657 57.345 -0.080 0.000 1.754 999 W CB -0.551 28.799 29.460 -0.183 0.000 1.135 999 W HN 0.154 nan 8.180 nan 0.000 0.531 1000 S N -1.274 114.312 115.700 -0.190 0.000 2.588 1000 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 1000 S C -3.213 171.319 174.600 -0.112 0.000 1.157 1000 S CA -1.558 56.564 58.200 -0.130 0.000 0.824 1000 S CB 1.638 64.762 63.200 -0.126 0.000 1.126 1000 S HN -0.207 nan 8.310 nan 0.000 0.464 1001 P HA 0.285 nan 4.420 nan 0.000 0.271 1001 P C 0.289 177.620 177.300 0.052 0.000 1.233 1001 P CA -0.218 62.894 63.100 0.021 0.000 0.764 1001 P CB 0.804 32.438 31.700 -0.109 0.000 0.825 1002 S N 0.775 116.533 115.700 0.097 0.000 2.701 1002 S HA 0.147 4.617 4.470 -0.000 0.000 0.242 1002 S C 0.330 175.006 174.600 0.126 0.000 1.025 1002 S CA -0.307 57.934 58.200 0.068 0.000 1.016 1002 S CB -0.219 62.976 63.200 -0.008 0.000 0.977 1002 S HN 0.120 nan 8.310 nan 0.000 0.546 1003 V N 4.305 124.337 119.914 0.197 0.000 2.455 1003 V HA 0.397 4.517 4.120 -0.000 0.000 0.273 1003 V C 0.771 177.022 176.094 0.262 0.000 1.045 1003 V CA -0.395 62.022 62.300 0.194 0.000 0.976 1003 V CB 0.694 32.592 31.823 0.126 0.000 0.993 1003 V HN 0.648 nan 8.190 nan 0.000 0.475 1004 S N 4.450 120.338 115.700 0.313 0.000 2.585 1004 S HA 0.415 4.885 4.470 -0.000 0.000 0.273 1004 S C 1.471 176.221 174.600 0.249 0.000 1.339 1004 S CA -0.068 58.300 58.200 0.281 0.000 1.028 1004 S CB 1.450 64.783 63.200 0.221 0.000 0.906 1004 S HN 1.059 nan 8.310 nan 0.000 0.528 1005 A N 2.037 124.947 122.820 0.150 0.000 1.915 1005 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 1005 A C 1.897 179.475 177.584 -0.009 0.000 1.198 1005 A CA 2.218 54.316 52.037 0.103 0.000 0.647 1005 A CB -1.357 17.682 19.000 0.065 0.000 0.825 1005 A HN 0.965 nan 8.150 nan 0.000 0.456 1006 E N -0.904 119.195 120.200 -0.167 0.000 2.331 1006 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 1006 E C 0.840 177.055 176.600 -0.641 0.000 1.008 1006 E CA 1.183 57.311 56.400 -0.453 0.000 0.843 1006 E CB -0.405 28.830 29.700 -0.775 0.000 0.761 1006 E HN 0.790 nan 8.360 nan 0.000 0.507 1007 F N 0.690 120.689 119.950 0.081 0.000 2.639 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 1007 F C 0.482 176.320 175.800 0.064 0.000 1.097 1007 F CA -0.410 57.637 58.000 0.079 0.000 1.294 1007 F CB 0.242 39.290 39.000 0.078 0.000 1.027 1007 F HN -0.167 nan 8.300 nan 0.000 0.550 1008 Q N 1.160 121.064 119.800 0.173 0.000 2.222 1008 Q HA 0.421 4.761 4.340 -0.000 0.000 0.252 1008 Q C -0.210 175.819 176.000 0.047 0.000 0.926 1008 Q CA -0.596 55.297 55.803 0.151 0.000 0.899 1008 Q CB 2.026 30.946 28.738 0.303 0.000 1.250 1008 Q HN 0.264 nan 8.270 nan 0.000 0.441 1009 L N 2.408 123.639 121.223 0.013 0.000 2.384 1009 L HA 0.090 4.430 4.340 -0.000 0.000 0.258 1009 L C 0.691 177.461 176.870 -0.167 0.000 1.266 1009 L CA -0.050 54.761 54.840 -0.049 0.000 1.162 1009 L CB -0.392 41.534 42.059 -0.222 0.000 1.375 1009 L HN 0.716 nan 8.230 nan 0.000 0.420 1010 S N -1.084 114.458 115.700 -0.263 0.000 2.539 1010 S HA 0.139 4.609 4.470 -0.000 0.000 0.221 1010 S C 1.726 176.229 174.600 -0.162 0.000 0.987 1010 S CA 0.183 58.050 58.200 -0.554 0.000 0.929 1010 S CB 0.697 63.597 63.200 -0.500 0.000 0.832 1010 S HN 0.516 nan 8.310 nan 0.000 0.492 1011 A N 1.696 124.474 122.820 -0.071 0.000 2.019 1011 A HA 0.396 4.716 4.320 -0.000 0.000 0.219 1011 A C 2.168 179.614 177.584 -0.229 0.000 1.164 1011 A CA 1.473 53.337 52.037 -0.289 0.000 0.644 1011 A CB -1.338 17.191 19.000 -0.785 0.000 0.805 1011 A HN 1.508 nan 8.150 nan 0.000 0.449 1012 G N -1.601 107.181 108.800 -0.030 0.000 2.417 1012 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.233 1012 G C 0.431 175.343 174.900 0.018 0.000 1.103 1012 G CA 0.445 45.568 45.100 0.038 0.000 0.647 1012 G HN 0.730 nan 8.290 nan 0.000 0.512 1013 R N -0.599 119.760 120.500 -0.234 0.000 2.575 1013 R HA 0.683 5.023 4.340 -0.000 0.000 0.293 1013 R C -1.569 174.475 176.300 -0.426 0.000 0.983 1013 R CA -0.650 55.367 56.100 -0.137 0.000 0.887 1013 R CB 1.604 31.863 30.300 -0.068 0.000 1.184 1013 R HN 0.229 nan 8.270 nan 0.000 0.445 1014 Y N 0.155 120.466 120.300 0.020 0.000 2.512 1014 Y HA 0.389 4.939 4.550 -0.000 0.000 0.348 1014 Y C -0.401 175.698 175.900 0.331 0.000 0.990 1014 Y CA -0.915 57.203 58.100 0.031 0.000 1.033 1014 Y CB 2.150 40.464 38.460 -0.244 0.000 1.259 1014 Y HN 0.592 nan 8.280 nan 0.000 0.461 1015 H N 2.268 121.660 119.070 0.536 0.000 2.717 1015 H HA 0.662 5.218 4.556 -0.000 0.000 0.366 1015 H C -1.749 173.953 175.328 0.623 0.000 1.132 1015 H CA -0.999 55.323 56.048 0.457 0.000 1.180 1015 H CB 1.410 31.326 29.762 0.256 0.000 1.678 1015 H HN 0.596 nan 8.280 nan 0.000 0.537 1016 Y N 1.087 121.094 120.300 -0.489 0.000 2.624 1016 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 1016 Y C -1.992 173.702 175.900 -0.343 0.000 1.155 1016 Y CA -1.064 56.862 58.100 -0.290 0.000 1.046 1016 Y CB 1.279 39.662 38.460 -0.128 0.000 1.316 1016 Y HN 0.657 nan 8.280 nan 0.000 0.457 1017 Q N 3.076 122.834 119.800 -0.071 0.000 2.421 1017 Q HA 0.798 5.138 4.340 -0.000 0.000 0.280 1017 Q C -1.812 174.240 176.000 0.087 0.000 1.085 1017 Q CA -1.125 54.644 55.803 -0.057 0.000 0.807 1017 Q CB 3.709 32.474 28.738 0.045 0.000 1.405 1017 Q HN 0.758 nan 8.270 nan 0.000 0.419 1018 L N 0.797 122.058 121.223 0.064 0.000 2.540 1018 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 1018 L C -1.605 175.368 176.870 0.171 0.000 1.001 1018 L CA -1.058 53.861 54.840 0.132 0.000 0.843 1018 L CB 2.714 44.821 42.059 0.080 0.000 1.436 1018 L HN 0.451 nan 8.230 nan 0.000 0.410 1019 V N 1.649 121.698 119.914 0.224 0.000 2.531 1019 V HA 0.491 4.611 4.120 -0.000 0.000 0.301 1019 V C -1.029 175.245 176.094 0.300 0.000 1.034 1019 V CA -0.448 61.999 62.300 0.244 0.000 0.865 1019 V CB 2.107 34.047 31.823 0.196 0.000 0.995 1019 V HN 0.643 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.241 56.287 -0.077 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543