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 1bgl_1_E 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 SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ 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 0.000 176.130 176.117 0.021 0.000 1.063 3 I CA 0.000 61.310 61.300 0.017 0.000 1.566 3 I CB 0.000 38.002 38.000 0.004 0.000 1.214 4 T N -1.386 113.189 114.554 0.035 0.000 2.951 4 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 4 T C 1.082 175.812 174.700 0.051 0.000 1.073 4 T CA 1.635 63.748 62.100 0.020 0.000 1.134 4 T CB -0.620 68.259 68.868 0.019 0.000 0.884 4 T HN 0.347 nan 8.240 nan 0.000 0.479 5 D N 2.353 122.838 120.400 0.142 0.000 2.348 5 D HA 0.040 4.680 4.640 -0.000 0.000 0.216 5 D C 1.194 177.655 176.300 0.268 0.000 0.970 5 D CA 0.370 54.559 54.000 0.315 0.000 0.889 5 D CB -0.410 40.606 40.800 0.360 0.000 0.912 5 D HN 0.582 nan 8.370 nan 0.000 0.524 6 S N 0.149 115.901 115.700 0.087 0.000 2.560 6 S HA -0.015 4.455 4.470 -0.000 0.000 0.284 6 S C 1.215 175.818 174.600 0.005 0.000 1.327 6 S CA -0.606 57.594 58.200 -0.000 0.000 1.055 6 S CB 0.901 64.092 63.200 -0.016 0.000 0.868 6 S HN -0.071 nan 8.310 nan 0.000 0.506 7 L N 3.627 124.804 121.223 -0.076 0.000 2.191 7 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 7 L C 2.800 179.649 176.870 -0.035 0.000 1.103 7 L CA 2.070 56.869 54.840 -0.068 0.000 0.769 7 L CB -1.597 40.381 42.059 -0.135 0.000 0.908 7 L HN 0.983 nan 8.230 nan 0.000 0.438 8 A N -1.253 121.543 122.820 -0.040 0.000 1.933 8 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 8 A C 2.329 179.889 177.584 -0.040 0.000 1.175 8 A CA 1.880 53.900 52.037 -0.029 0.000 0.628 8 A CB -0.663 18.320 19.000 -0.027 0.000 0.814 8 A HN 0.206 nan 8.150 nan 0.000 0.444 9 V N -0.618 119.261 119.914 -0.058 0.000 2.256 9 V HA -0.174 3.946 4.120 -0.000 0.000 0.240 9 V C 2.529 178.529 176.094 -0.157 0.000 1.036 9 V CA 1.633 63.877 62.300 -0.093 0.000 1.008 9 V CB -1.010 30.761 31.823 -0.087 0.000 0.648 9 V HN 0.338 nan 8.190 nan 0.000 0.453 10 V N 0.854 120.647 119.914 -0.201 0.000 2.218 10 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 10 V C 2.234 178.149 176.094 -0.298 0.000 1.057 10 V CA 2.498 64.570 62.300 -0.379 0.000 1.022 10 V CB -0.852 30.748 31.823 -0.373 0.000 0.645 10 V HN 0.488 nan 8.190 nan 0.000 0.451 11 L N 0.092 121.245 121.223 -0.116 0.000 2.622 11 L HA -0.097 4.243 4.340 -0.000 0.000 0.233 11 L C 2.430 179.294 176.870 -0.010 0.000 1.156 11 L CA 0.720 55.599 54.840 0.066 0.000 0.866 11 L CB -0.789 41.444 42.059 0.291 0.000 0.980 11 L HN 0.403 nan 8.230 nan 0.000 0.448 12 Q N 2.093 121.848 119.800 -0.074 0.000 2.084 12 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 12 Q C 2.256 178.187 176.000 -0.115 0.000 0.978 12 Q CA 1.860 57.623 55.803 -0.067 0.000 0.844 12 Q CB -0.084 28.614 28.738 -0.067 0.000 0.898 12 Q HN 0.548 nan 8.270 nan 0.000 0.426 13 R N -0.104 120.288 120.500 -0.181 0.000 2.092 13 R HA 0.074 4.414 4.340 -0.000 0.000 0.231 13 R C 0.232 176.313 176.300 -0.365 0.000 1.119 13 R CA 0.728 56.697 56.100 -0.219 0.000 0.970 13 R CB -0.483 29.694 30.300 -0.204 0.000 0.864 13 R HN 0.068 nan 8.270 nan 0.000 0.440 14 R N 1.305 121.425 120.500 -0.634 0.000 3.084 14 R HA -0.157 4.183 4.340 -0.000 0.000 0.258 14 R C -0.906 174.703 176.300 -1.151 0.000 0.914 14 R CA 0.570 55.801 56.100 -1.448 0.000 0.646 14 R CB -1.414 28.411 30.300 -0.792 0.000 1.330 14 R HN 0.485 nan 8.270 nan 0.000 0.465 15 D N -0.207 119.674 120.400 -0.866 0.000 2.269 15 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 15 D C 1.513 177.762 176.300 -0.085 0.000 0.963 15 D CA 1.458 55.273 54.000 -0.309 0.000 0.864 15 D CB -0.072 40.714 40.800 -0.023 0.000 0.936 15 D HN 0.729 nan 8.370 nan 0.000 0.505 16 W N 1.475 122.905 121.300 0.217 0.000 2.632 16 W HA 0.045 4.705 4.660 -0.000 0.000 0.248 16 W C 0.464 177.116 176.519 0.222 0.000 1.259 16 W CA 0.202 57.712 57.345 0.274 0.000 1.288 16 W CB -0.622 28.981 29.460 0.239 0.000 1.136 16 W HN -0.057 nan 8.180 nan 0.000 0.640 17 E N 0.203 120.336 120.200 -0.112 0.000 2.651 17 E HA 0.038 4.388 4.350 -0.000 0.000 0.208 17 E C -0.313 176.232 176.600 -0.091 0.000 0.997 17 E CA -0.199 56.234 56.400 0.054 0.000 1.020 17 E CB -0.152 29.654 29.700 0.176 0.000 1.052 17 E HN 0.002 nan 8.360 nan 0.000 0.465 18 N N 1.474 120.112 118.700 -0.103 0.000 2.573 18 N HA 0.147 4.887 4.740 -0.000 0.000 0.262 18 N C -2.130 173.247 175.510 -0.221 0.000 1.029 18 N CA -2.336 50.609 53.050 -0.175 0.000 0.882 18 N CB 1.427 39.829 38.487 -0.143 0.000 1.204 18 N HN -0.171 nan 8.380 nan 0.000 0.519 19 P HA 0.034 nan 4.420 nan 0.000 0.230 19 P C 1.087 178.129 177.300 -0.430 0.000 1.158 19 P CA 0.571 63.307 63.100 -0.606 0.000 0.769 19 P CB 0.256 31.147 31.700 -1.347 0.000 0.807 20 G N -0.039 108.565 108.800 -0.326 0.000 2.408 20 G HA2 0.006 3.966 3.960 -0.000 0.000 0.215 20 G HA3 0.006 3.966 3.960 -0.000 0.000 0.215 20 G C 0.360 175.164 174.900 -0.160 0.000 1.156 20 G CA 0.291 45.255 45.100 -0.228 0.000 0.793 20 G HN 0.231 nan 8.290 nan 0.000 0.535 21 V N 0.823 120.657 119.914 -0.132 0.000 2.417 21 V HA 0.588 4.708 4.120 -0.000 0.000 0.291 21 V C 0.461 176.480 176.094 -0.126 0.000 1.024 21 V CA 0.056 62.307 62.300 -0.081 0.000 0.861 21 V CB 1.329 33.156 31.823 0.006 0.000 0.985 21 V HN 0.242 nan 8.190 nan 0.000 0.436 22 T N 0.602 115.042 114.554 -0.189 0.000 3.399 22 T HA 0.520 4.870 4.350 -0.000 0.000 0.305 22 T C -0.191 174.284 174.700 -0.375 0.000 0.983 22 T CA 0.148 62.083 62.100 -0.276 0.000 0.967 22 T CB 0.002 68.770 68.868 -0.166 0.000 1.186 22 T HN 1.064 nan 8.240 nan 0.000 0.504 23 Q N -0.109 119.458 119.800 -0.389 0.000 3.083 23 Q HA 0.664 5.004 4.340 -0.000 0.000 0.310 23 Q C -2.706 173.241 176.000 -0.088 0.000 0.880 23 Q CA -1.131 54.483 55.803 -0.314 0.000 0.809 23 Q CB 0.296 28.900 28.738 -0.224 0.000 1.596 23 Q HN 0.139 nan 8.270 nan 0.000 0.487 24 L N 2.090 123.329 121.223 0.026 0.000 2.751 24 L HA 0.500 4.840 4.340 -0.000 0.000 0.261 24 L C -0.952 175.964 176.870 0.077 0.000 0.927 24 L CA 0.134 55.064 54.840 0.149 0.000 0.968 24 L CB 1.870 44.185 42.059 0.426 0.000 1.432 24 L HN 0.858 nan 8.230 nan 0.000 0.439 25 N N 0.673 119.385 118.700 0.020 0.000 2.815 25 N HA -0.236 4.503 4.740 -0.000 0.000 0.247 25 N C 0.525 175.928 175.510 -0.177 0.000 1.030 25 N CA 0.963 54.002 53.050 -0.017 0.000 0.881 25 N CB -0.807 37.687 38.487 0.012 0.000 1.134 25 N HN 0.669 nan 8.380 nan 0.000 0.582 26 R N 1.864 122.128 120.500 -0.394 0.000 2.401 26 R HA 0.166 4.506 4.340 -0.000 0.000 0.299 26 R C 1.580 177.626 176.300 -0.423 0.000 1.064 26 R CA -0.275 55.340 56.100 -0.808 0.000 1.000 26 R CB 0.466 30.389 30.300 -0.629 0.000 0.973 26 R HN 0.077 nan 8.270 nan 0.000 0.438 27 L N 2.193 123.186 121.223 -0.382 0.000 2.064 27 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 27 L C 0.632 177.447 176.870 -0.092 0.000 0.881 27 L CA 1.137 55.884 54.840 -0.156 0.000 1.719 27 L CB -0.606 41.412 42.059 -0.068 0.000 1.490 27 L HN 0.736 nan 8.230 nan 0.000 0.622 28 A N -1.455 121.362 122.820 -0.005 0.000 2.488 28 A HA 0.648 4.968 4.320 -0.000 0.000 0.295 28 A C -0.335 177.362 177.584 0.190 0.000 1.045 28 A CA -0.125 51.937 52.037 0.041 0.000 0.703 28 A CB 1.132 20.152 19.000 0.033 0.000 1.271 28 A HN 0.615 nan 8.150 nan 0.000 0.400 29 A N 1.890 124.783 122.820 0.122 0.000 2.521 29 A HA 0.607 4.927 4.320 -0.000 0.000 0.237 29 A C 0.311 178.049 177.584 0.256 0.000 1.087 29 A CA 1.470 53.575 52.037 0.112 0.000 0.777 29 A CB -0.173 18.807 19.000 -0.034 0.000 1.035 29 A HN 2.514 nan 8.150 nan 0.000 0.510 30 H N -3.714 115.320 119.070 -0.060 0.000 2.891 30 H HA 0.450 5.006 4.556 -0.000 0.000 0.250 30 H C -3.380 171.779 175.328 -0.282 0.000 1.407 30 H CA -1.345 54.634 56.048 -0.115 0.000 1.255 30 H CB -0.242 29.526 29.762 0.009 0.000 1.811 30 H HN 0.438 nan 8.280 nan 0.000 0.444 31 P HA 0.152 nan 4.420 nan 0.000 0.271 31 P C -2.537 174.408 177.300 -0.591 0.000 1.233 31 P CA -1.149 61.672 63.100 -0.464 0.000 0.789 31 P CB -0.387 31.012 31.700 -0.501 0.000 0.951 32 P HA 0.147 nan 4.420 nan 0.000 0.268 32 P C -0.931 176.268 177.300 -0.168 0.000 1.204 32 P CA 0.661 63.629 63.100 -0.221 0.000 0.768 32 P CB 0.067 31.741 31.700 -0.043 0.000 0.842 33 F N 0.740 120.826 119.950 0.227 0.000 2.546 33 F HA 0.573 5.100 4.527 -0.000 0.000 0.320 33 F C 1.019 176.809 175.800 -0.017 0.000 1.076 33 F CA -0.941 57.154 58.000 0.157 0.000 0.928 33 F CB 1.558 40.639 39.000 0.135 0.000 1.189 33 F HN 0.321 nan 8.300 nan 0.000 0.465 34 A N 0.362 123.209 122.820 0.046 0.000 2.259 34 A HA 0.332 4.652 4.320 -0.000 0.000 0.213 34 A C 1.026 178.374 177.584 -0.392 0.000 1.209 34 A CA 0.687 52.436 52.037 -0.480 0.000 0.910 34 A CB -0.253 17.703 19.000 -1.741 0.000 0.946 34 A HN 0.839 nan 8.150 nan 0.000 0.497 35 S N -0.485 115.139 115.700 -0.126 0.000 3.641 35 S HA -0.142 4.328 4.470 -0.000 0.000 0.346 35 S C 0.273 174.849 174.600 -0.041 0.000 1.074 35 S CA 0.401 58.539 58.200 -0.105 0.000 1.026 35 S CB -1.637 61.460 63.200 -0.172 0.000 0.908 35 S HN 0.529 nan 8.310 nan 0.000 0.479 36 W N 0.792 122.100 121.300 0.014 0.000 1.959 36 W HA 0.090 4.750 4.660 -0.000 0.000 0.352 36 W C 1.545 178.064 176.519 0.001 0.000 1.348 36 W CA 0.169 57.526 57.345 0.021 0.000 1.411 36 W CB 0.033 29.504 29.460 0.019 0.000 1.318 36 W HN 0.312 nan 8.180 nan 0.000 0.669 37 R N 0.878 121.564 120.500 0.311 0.000 2.563 37 R HA 0.117 4.457 4.340 -0.000 0.000 0.443 37 R C -0.613 175.772 176.300 0.142 0.000 0.956 37 R CA -0.313 55.887 56.100 0.167 0.000 1.141 37 R CB -0.155 30.211 30.300 0.110 0.000 1.553 37 R HN 0.317 nan 8.270 nan 0.000 0.577 38 N N 0.007 118.805 118.700 0.162 0.000 2.504 38 N HA 0.051 4.791 4.740 -0.000 0.000 0.268 38 N C 0.440 175.933 175.510 -0.028 0.000 1.184 38 N CA 0.045 53.135 53.050 0.067 0.000 0.875 38 N CB 1.879 40.411 38.487 0.076 0.000 1.630 38 N HN -0.105 nan 8.380 nan 0.000 0.486 39 S N 2.076 117.735 115.700 -0.069 0.000 2.331 39 S HA -0.059 4.411 4.470 -0.000 0.000 0.208 39 S C 1.227 175.691 174.600 -0.227 0.000 1.032 39 S CA 1.536 59.654 58.200 -0.137 0.000 0.991 39 S CB -0.811 62.341 63.200 -0.080 0.000 0.980 39 S HN 0.680 nan 8.310 nan 0.000 0.433 40 E N 1.041 121.131 120.200 -0.182 0.000 2.233 40 E HA -0.285 4.065 4.350 -0.000 0.000 0.210 40 E C 2.018 178.479 176.600 -0.232 0.000 1.046 40 E CA 1.988 58.258 56.400 -0.216 0.000 0.844 40 E CB -0.226 29.386 29.700 -0.146 0.000 0.741 40 E HN 0.712 nan 8.360 nan 0.000 0.465 41 E N -0.447 119.633 120.200 -0.200 0.000 1.987 41 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 41 E C 2.039 178.284 176.600 -0.593 0.000 0.990 41 E CA 0.737 57.017 56.400 -0.200 0.000 0.859 41 E CB -0.253 29.489 29.700 0.069 0.000 0.805 41 E HN 0.281 nan 8.360 nan 0.000 0.499 42 A N 1.472 123.428 122.820 -1.439 0.000 1.985 42 A HA -0.367 3.953 4.320 -0.000 0.000 0.223 42 A C 2.071 179.123 177.584 -0.886 0.000 1.189 42 A CA 2.519 53.294 52.037 -2.103 0.000 0.658 42 A CB -0.920 16.898 19.000 -1.969 0.000 0.820 42 A HN 0.306 nan 8.150 nan 0.000 0.464 43 R N -0.048 120.115 120.500 -0.561 0.000 2.103 43 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 43 R C 1.281 177.379 176.300 -0.336 0.000 1.142 43 R CA 2.111 57.961 56.100 -0.417 0.000 0.960 43 R CB -0.603 29.402 30.300 -0.491 0.000 0.858 43 R HN 0.556 nan 8.270 nan 0.000 0.439 44 T N -2.037 112.340 114.554 -0.295 0.000 3.221 44 T HA 0.147 4.497 4.350 -0.000 0.000 0.246 44 T C -0.006 174.644 174.700 -0.084 0.000 0.952 44 T CA -0.176 61.822 62.100 -0.169 0.000 0.994 44 T CB 0.402 69.188 68.868 -0.137 0.000 1.127 44 T HN 0.283 nan 8.240 nan 0.000 0.549 45 D N 1.754 122.096 120.400 -0.096 0.000 2.839 45 D HA -0.189 4.451 4.640 -0.000 0.000 0.229 45 D C 0.590 177.026 176.300 0.228 0.000 1.170 45 D CA 0.673 54.725 54.000 0.086 0.000 0.698 45 D CB -0.421 40.447 40.800 0.113 0.000 1.067 45 D HN 0.681 nan 8.370 nan 0.000 0.422 46 R N -0.234 120.384 120.500 0.196 0.000 2.919 46 R HA 0.276 4.616 4.340 -0.000 0.000 0.284 46 R C -2.120 174.461 176.300 0.467 0.000 1.104 46 R CA -0.678 55.591 56.100 0.281 0.000 1.207 46 R CB -0.315 30.107 30.300 0.203 0.000 1.162 46 R HN 0.110 nan 8.270 nan 0.000 0.561 47 P HA 0.117 nan 4.420 nan 0.000 0.292 47 P C -1.009 176.369 177.300 0.130 0.000 1.283 47 P CA -0.328 62.885 63.100 0.189 0.000 0.835 47 P CB 1.572 33.344 31.700 0.120 0.000 1.017 48 S N 1.373 117.007 115.700 -0.109 0.000 2.437 48 S HA 0.119 4.589 4.470 -0.000 0.000 0.305 48 S C 1.136 175.700 174.600 -0.060 0.000 1.109 48 S CA -0.539 57.516 58.200 -0.242 0.000 1.099 48 S CB 0.469 63.159 63.200 -0.849 0.000 1.004 48 S HN 0.279 nan 8.310 nan 0.000 0.475 49 Q N 2.701 122.529 119.800 0.045 0.000 2.291 49 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 49 Q C 0.721 176.903 176.000 0.302 0.000 0.976 49 Q CA 0.911 56.805 55.803 0.152 0.000 0.875 49 Q CB -0.150 28.687 28.738 0.165 0.000 0.927 49 Q HN 0.660 nan 8.270 nan 0.000 0.450 50 Q N 0.031 119.937 119.800 0.178 0.000 2.451 50 Q HA 0.094 4.434 4.340 -0.000 0.000 0.206 50 Q C 0.036 176.139 176.000 0.172 0.000 0.947 50 Q CA 0.318 56.225 55.803 0.174 0.000 0.937 50 Q CB 0.128 28.834 28.738 -0.054 0.000 1.025 50 Q HN 0.131 nan 8.270 nan 0.000 0.511 51 L N 1.575 122.876 121.223 0.131 0.000 2.264 51 L HA 0.337 4.677 4.340 -0.000 0.000 0.287 51 L C -0.525 176.441 176.870 0.158 0.000 1.039 51 L CA -0.104 54.792 54.840 0.093 0.000 0.829 51 L CB 0.603 42.634 42.059 -0.046 0.000 1.211 51 L HN -0.076 nan 8.230 nan 0.000 0.427 52 R N 2.138 122.766 120.500 0.214 0.000 2.387 52 R HA 0.380 4.720 4.340 -0.000 0.000 0.314 52 R C -0.655 175.684 176.300 0.064 0.000 0.958 52 R CA -0.321 55.863 56.100 0.140 0.000 0.846 52 R CB 1.976 32.388 30.300 0.186 0.000 1.147 52 R HN 0.601 nan 8.270 nan 0.000 0.447 53 S N 3.789 119.508 115.700 0.031 0.000 2.499 53 S HA 0.305 4.775 4.470 -0.000 0.000 0.279 53 S C 0.864 175.474 174.600 0.017 0.000 1.219 53 S CA -0.581 57.633 58.200 0.023 0.000 1.062 53 S CB 0.573 63.796 63.200 0.038 0.000 0.978 53 S HN 0.599 nan 8.310 nan 0.000 0.489 54 L N 3.703 124.947 121.223 0.036 0.000 2.818 54 L HA 0.287 4.627 4.340 -0.000 0.000 0.243 54 L C 0.353 177.465 176.870 0.404 0.000 1.185 54 L CA -0.331 54.585 54.840 0.126 0.000 0.988 54 L CB -0.457 41.648 42.059 0.075 0.000 1.292 54 L HN 0.544 nan 8.230 nan 0.000 0.519 55 N N 1.584 120.409 118.700 0.209 0.000 2.441 55 N HA 0.373 5.113 4.740 -0.000 0.000 0.251 55 N C 0.707 176.377 175.510 0.267 0.000 1.242 55 N CA 1.144 54.295 53.050 0.168 0.000 0.898 55 N CB 1.320 39.850 38.487 0.073 0.000 1.100 55 N HN 0.357 nan 8.380 nan 0.000 0.443 56 G N 0.705 109.653 108.800 0.248 0.000 2.250 56 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.252 56 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.252 56 G C -1.297 173.840 174.900 0.394 0.000 1.325 56 G CA -0.791 44.473 45.100 0.274 0.000 1.091 56 G HN 0.485 nan 8.290 nan 0.000 0.476 57 E N -0.760 119.647 120.200 0.344 0.000 2.383 57 E HA 0.504 4.854 4.350 -0.000 0.000 0.264 57 E C -1.124 175.798 176.600 0.536 0.000 1.050 57 E CA 0.330 56.932 56.400 0.337 0.000 0.896 57 E CB 0.861 30.679 29.700 0.196 0.000 0.982 57 E HN 0.428 nan 8.360 nan 0.000 0.424 58 W N 0.538 121.925 121.300 0.143 0.000 3.464 58 W HA 0.204 4.864 4.660 -0.000 0.000 0.292 58 W C -0.755 175.879 176.519 0.191 0.000 1.262 58 W CA -0.701 56.754 57.345 0.183 0.000 1.202 58 W CB 0.830 30.441 29.460 0.251 0.000 1.334 58 W HN 0.267 nan 8.180 nan 0.000 0.561 59 R N 2.259 122.995 120.500 0.392 0.000 2.347 59 R HA 0.477 4.817 4.340 -0.000 0.000 0.304 59 R C -0.858 175.627 176.300 0.308 0.000 1.072 59 R CA -0.240 56.039 56.100 0.299 0.000 0.980 59 R CB 0.719 31.143 30.300 0.206 0.000 0.986 59 R HN 0.387 nan 8.270 nan 0.000 0.448 60 F N 1.191 121.149 119.950 0.013 0.000 2.577 60 F HA 0.681 5.208 4.527 -0.000 0.000 0.318 60 F C -1.113 174.535 175.800 -0.254 0.000 1.065 60 F CA -0.644 57.224 58.000 -0.221 0.000 0.929 60 F CB 1.868 40.636 39.000 -0.386 0.000 1.237 60 F HN 0.615 nan 8.300 nan 0.000 0.468 61 A N 3.055 124.926 122.820 -1.581 0.000 2.593 61 A HA 0.704 5.024 4.320 -0.000 0.000 0.290 61 A C -2.540 174.252 177.584 -1.320 0.000 1.126 61 A CA -0.604 50.843 52.037 -0.984 0.000 0.695 61 A CB 0.980 19.721 19.000 -0.431 0.000 1.290 61 A HN 0.976 nan 8.150 nan 0.000 0.414 62 W N 0.325 121.161 121.300 -0.773 0.000 3.097 62 W HA 0.734 5.394 4.660 -0.000 0.000 0.335 62 W C -2.529 173.697 176.519 -0.488 0.000 1.114 62 W CA -0.374 56.614 57.345 -0.596 0.000 1.231 62 W CB 1.662 30.927 29.460 -0.325 0.000 1.388 62 W HN 0.486 nan 8.180 nan 0.000 0.485 63 F N 7.048 126.304 119.950 -1.158 0.000 2.561 63 F HA 0.357 4.884 4.527 -0.000 0.000 0.313 63 F C -1.311 173.699 175.800 -1.315 0.000 1.126 63 F CA -2.531 54.965 58.000 -0.840 0.000 0.918 63 F CB 1.550 40.215 39.000 -0.558 0.000 1.199 63 F HN 0.131 nan 8.300 nan 0.000 0.444 64 P HA -0.220 nan 4.420 nan 0.000 0.219 64 P C 0.161 177.336 177.300 -0.209 0.000 1.158 64 P CA 2.250 65.246 63.100 -0.173 0.000 0.895 64 P CB 0.455 32.235 31.700 0.135 0.000 0.792 65 A N -2.615 120.107 122.820 -0.162 0.000 2.507 65 A HA 0.614 4.934 4.320 -0.000 0.000 0.284 65 A C -2.207 175.246 177.584 -0.219 0.000 1.281 65 A CA -1.048 50.893 52.037 -0.159 0.000 0.744 65 A CB 0.393 19.358 19.000 -0.058 0.000 1.332 65 A HN -0.148 nan 8.150 nan 0.000 0.454 66 P HA 0.076 nan 4.420 nan 0.000 0.218 66 P C 0.708 177.890 177.300 -0.197 0.000 1.147 66 P CA 1.013 63.945 63.100 -0.280 0.000 0.863 66 P CB -0.001 31.512 31.700 -0.311 0.000 0.812 67 E N 0.552 120.696 120.200 -0.093 0.000 2.339 67 E HA -0.195 4.155 4.350 -0.000 0.000 0.201 67 E C 1.669 178.249 176.600 -0.032 0.000 1.015 67 E CA 1.460 57.843 56.400 -0.030 0.000 0.841 67 E CB -0.742 28.969 29.700 0.018 0.000 0.754 67 E HN 0.245 nan 8.360 nan 0.000 0.508 68 A N 1.535 124.334 122.820 -0.035 0.000 2.030 68 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 68 A C 1.411 178.975 177.584 -0.033 0.000 1.164 68 A CA -0.114 51.961 52.037 0.064 0.000 0.697 68 A CB 0.018 19.162 19.000 0.240 0.000 0.827 68 A HN 0.058 nan 8.150 nan 0.000 0.457 69 V N 2.230 121.880 119.914 -0.439 0.000 2.843 69 V HA 0.046 4.166 4.120 -0.000 0.000 0.305 69 V C -2.175 173.756 176.094 -0.272 0.000 1.120 69 V CA -0.454 61.360 62.300 -0.809 0.000 1.254 69 V CB -0.086 31.102 31.823 -1.057 0.000 0.901 69 V HN 0.366 nan 8.190 nan 0.000 0.503 70 P HA 0.321 nan 4.420 nan 0.000 0.290 70 P C 0.364 177.666 177.300 0.002 0.000 1.276 70 P CA -0.507 62.592 63.100 -0.003 0.000 0.808 70 P CB 1.400 33.151 31.700 0.084 0.000 0.966 71 E N 1.860 122.038 120.200 -0.036 0.000 2.058 71 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 71 E C 1.708 178.254 176.600 -0.091 0.000 0.997 71 E CA 2.171 58.519 56.400 -0.087 0.000 0.801 71 E CB -0.571 29.085 29.700 -0.074 0.000 0.746 71 E HN 0.403 nan 8.360 nan 0.000 0.450 72 S N 0.037 115.719 115.700 -0.031 0.000 2.428 72 S HA -0.255 4.215 4.470 -0.000 0.000 0.240 72 S C 1.504 176.097 174.600 -0.011 0.000 1.036 72 S CA 1.239 59.429 58.200 -0.017 0.000 1.009 72 S CB -0.794 62.420 63.200 0.023 0.000 0.803 72 S HN 0.535 nan 8.310 nan 0.000 0.486 73 W N 2.648 123.859 121.300 -0.148 0.000 2.325 73 W HA -0.130 4.530 4.660 -0.000 0.000 0.299 73 W C 1.592 178.003 176.519 -0.179 0.000 1.215 73 W CA 0.901 58.146 57.345 -0.166 0.000 1.244 73 W CB -0.768 28.552 29.460 -0.235 0.000 1.140 73 W HN 0.277 nan 8.180 nan 0.000 0.523 74 L N 0.209 121.066 121.223 -0.610 0.000 2.079 74 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 74 L C 2.548 179.152 176.870 -0.445 0.000 1.081 74 L CA 1.802 56.205 54.840 -0.728 0.000 0.752 74 L CB -0.730 40.978 42.059 -0.586 0.000 0.896 74 L HN -0.009 nan 8.230 nan 0.000 0.433 75 E N -1.830 118.205 120.200 -0.274 0.000 2.244 75 E HA 0.104 4.454 4.350 -0.000 0.000 0.196 75 E C 0.241 176.773 176.600 -0.114 0.000 0.939 75 E CA 0.289 56.594 56.400 -0.158 0.000 0.884 75 E CB 0.519 30.159 29.700 -0.101 0.000 0.850 75 E HN 0.317 nan 8.360 nan 0.000 0.481 76 C N 1.696 120.944 119.300 -0.087 0.000 2.634 76 C HA 0.348 4.808 4.460 -0.000 0.000 0.313 76 C C 0.028 175.054 174.990 0.060 0.000 1.198 76 C CA -1.088 57.920 59.018 -0.016 0.000 1.605 76 C CB 1.544 29.286 27.740 0.003 0.000 2.196 76 C HN 0.235 nan 8.230 nan 0.000 0.486 77 D N 1.359 121.807 120.400 0.081 0.000 2.368 77 D HA 0.235 4.875 4.640 -0.000 0.000 0.240 77 D C -0.342 176.051 176.300 0.154 0.000 1.169 77 D CA 0.378 54.469 54.000 0.152 0.000 0.906 77 D CB 0.690 41.554 40.800 0.106 0.000 1.187 77 D HN 0.363 nan 8.370 nan 0.000 0.435 78 L N 3.206 124.529 121.223 0.166 0.000 2.357 78 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 78 L C -1.089 175.822 176.870 0.068 0.000 1.080 78 L CA -1.596 53.308 54.840 0.108 0.000 0.803 78 L CB 1.135 43.245 42.059 0.085 0.000 1.174 78 L HN 0.282 nan 8.230 nan 0.000 0.443 79 P HA -0.148 nan 4.420 nan 0.000 0.214 79 P C 0.351 177.668 177.300 0.029 0.000 1.162 79 P CA 1.229 64.351 63.100 0.035 0.000 0.879 79 P CB 0.119 31.835 31.700 0.025 0.000 0.786 80 E N -0.085 120.125 120.200 0.017 0.000 2.330 80 E HA 0.375 4.725 4.350 -0.000 0.000 0.210 80 E C 0.165 176.770 176.600 0.008 0.000 1.256 80 E CA -0.286 56.117 56.400 0.004 0.000 1.346 80 E CB -0.595 29.089 29.700 -0.027 0.000 1.308 80 E HN 0.166 nan 8.360 nan 0.000 0.441 81 A N 1.112 123.951 122.820 0.032 0.000 2.318 81 A HA 0.369 4.689 4.320 -0.000 0.000 0.324 81 A C -0.740 176.896 177.584 0.087 0.000 1.170 81 A CA -0.889 51.174 52.037 0.043 0.000 0.810 81 A CB 0.763 19.788 19.000 0.042 0.000 1.198 81 A HN 0.103 nan 8.150 nan 0.000 0.484 82 D N 0.448 120.928 120.400 0.133 0.000 2.411 82 D HA 0.482 5.122 4.640 -0.000 0.000 0.251 82 D C 0.091 176.485 176.300 0.156 0.000 1.201 82 D CA 0.525 54.615 54.000 0.151 0.000 0.996 82 D CB 0.709 41.642 40.800 0.222 0.000 1.101 82 D HN 0.414 nan 8.370 nan 0.000 0.504 83 T N 0.471 115.102 114.554 0.128 0.000 2.829 83 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 83 T C -0.545 174.229 174.700 0.123 0.000 0.990 83 T CA -0.563 61.622 62.100 0.141 0.000 1.028 83 T CB 1.009 69.944 68.868 0.112 0.000 0.951 83 T HN 0.058 nan 8.240 nan 0.000 0.460 84 V N 2.353 122.372 119.914 0.175 0.000 3.181 84 V HA 0.605 4.725 4.120 -0.000 0.000 0.308 84 V C -0.551 175.665 176.094 0.204 0.000 1.214 84 V CA -0.876 61.507 62.300 0.138 0.000 1.053 84 V CB 2.399 34.305 31.823 0.138 0.000 1.069 84 V HN 0.598 nan 8.190 nan 0.000 0.441 85 V N 1.113 121.150 119.914 0.206 0.000 2.630 85 V HA 0.641 4.761 4.120 -0.000 0.000 0.305 85 V C -0.648 175.503 176.094 0.096 0.000 1.046 85 V CA -0.367 62.033 62.300 0.166 0.000 0.934 85 V CB 2.116 34.011 31.823 0.121 0.000 1.003 85 V HN 0.593 nan 8.190 nan 0.000 0.451 86 V N 7.018 126.911 119.914 -0.034 0.000 2.604 86 V HA 0.564 4.684 4.120 -0.000 0.000 0.305 86 V C -2.268 173.737 176.094 -0.148 0.000 1.043 86 V CA -1.436 60.723 62.300 -0.234 0.000 0.888 86 V CB 2.363 33.706 31.823 -0.800 0.000 0.995 86 V HN 0.801 nan 8.190 nan 0.000 0.429 87 P HA 0.712 nan 4.420 nan 0.000 0.286 87 P C -1.037 176.216 177.300 -0.078 0.000 1.292 87 P CA -0.501 62.511 63.100 -0.147 0.000 0.842 87 P CB 2.040 33.672 31.700 -0.114 0.000 1.207 88 S N -0.973 114.704 115.700 -0.038 0.000 2.688 88 S HA 0.310 4.780 4.470 -0.000 0.000 0.266 88 S C -1.609 172.969 174.600 -0.037 0.000 1.061 88 S CA -0.989 57.169 58.200 -0.069 0.000 0.844 88 S CB -0.340 62.754 63.200 -0.178 0.000 1.103 88 S HN 0.348 nan 8.310 nan 0.000 0.471 89 N N 1.091 119.701 118.700 -0.151 0.000 2.421 89 N HA 0.498 5.238 4.740 -0.000 0.000 0.285 89 N C 0.450 175.863 175.510 -0.161 0.000 1.027 89 N CA -0.572 52.382 53.050 -0.161 0.000 0.918 89 N CB 0.630 38.982 38.487 -0.225 0.000 1.152 89 N HN 0.832 nan 8.380 nan 0.000 0.485 90 W N 2.298 123.555 121.300 -0.071 0.000 2.519 90 W HA 0.013 4.673 4.660 -0.000 0.000 0.266 90 W C 0.777 177.356 176.519 0.099 0.000 1.253 90 W CA 0.701 58.011 57.345 -0.058 0.000 1.274 90 W CB -0.433 28.953 29.460 -0.124 0.000 1.114 90 W HN 0.468 nan 8.180 nan 0.000 0.596 91 Q N 0.795 120.677 119.800 0.137 0.000 2.119 91 Q HA -0.079 4.261 4.340 -0.000 0.000 0.201 91 Q C 1.995 178.015 176.000 0.033 0.000 0.972 91 Q CA 1.582 57.465 55.803 0.134 0.000 0.847 91 Q CB -0.843 27.855 28.738 -0.067 0.000 0.903 91 Q HN 0.205 nan 8.270 nan 0.000 0.433 92 M N -0.007 119.544 119.600 -0.081 0.000 2.776 92 M HA -0.054 4.426 4.480 -0.000 0.000 0.233 92 M C 0.261 176.604 176.300 0.071 0.000 1.078 92 M CA 1.298 56.542 55.300 -0.093 0.000 1.058 92 M CB -0.885 31.598 32.600 -0.194 0.000 1.611 92 M HN 0.385 nan 8.290 nan 0.000 0.541 93 H N -1.429 117.690 119.070 0.082 0.000 3.233 93 H HA 0.304 4.860 4.556 -0.000 0.000 0.263 93 H C 1.071 176.312 175.328 -0.144 0.000 1.168 93 H CA 0.080 56.163 56.048 0.058 0.000 1.159 93 H CB 0.887 30.788 29.762 0.233 0.000 1.593 93 H HN 0.505 nan 8.280 nan 0.000 0.580 94 G N 0.830 109.645 108.800 0.026 0.000 2.132 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.228 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.228 94 G C 0.120 174.814 174.900 -0.344 0.000 1.000 94 G CA 0.368 45.368 45.100 -0.168 0.000 0.693 94 G HN 0.447 nan 8.290 nan 0.000 0.515 95 Y N 1.118 121.440 120.300 0.036 0.000 2.503 95 Y HA 0.374 4.924 4.550 -0.000 0.000 0.278 95 Y C 1.392 177.134 175.900 -0.264 0.000 1.111 95 Y CA 0.782 58.756 58.100 -0.210 0.000 1.270 95 Y CB 0.432 38.748 38.460 -0.241 0.000 1.063 95 Y HN 0.579 nan 8.280 nan 0.000 0.548 96 D N -1.502 119.055 120.400 0.261 0.000 2.692 96 D HA 0.479 5.119 4.640 -0.000 0.000 0.290 96 D C -1.274 175.149 176.300 0.204 0.000 1.281 96 D CA -0.982 53.180 54.000 0.270 0.000 0.804 96 D CB 0.798 41.884 40.800 0.477 0.000 1.331 96 D HN -0.076 nan 8.370 nan 0.000 0.432 97 A N 0.579 123.512 122.820 0.188 0.000 2.260 97 A HA 0.649 4.969 4.320 -0.000 0.000 0.312 97 A C -2.367 175.253 177.584 0.060 0.000 1.321 97 A CA -1.328 50.780 52.037 0.118 0.000 0.928 97 A CB -0.079 19.049 19.000 0.214 0.000 1.158 97 A HN 0.456 nan 8.150 nan 0.000 0.542 98 P HA 0.142 nan 4.420 nan 0.000 0.264 98 P C -0.667 176.828 177.300 0.324 0.000 1.183 98 P CA 0.461 63.509 63.100 -0.087 0.000 0.763 98 P CB 0.234 31.592 31.700 -0.569 0.000 0.807 99 I N 3.143 124.016 120.570 0.504 0.000 2.607 99 I HA 0.391 4.561 4.170 -0.000 0.000 0.305 99 I C -0.324 175.988 176.117 0.325 0.000 0.995 99 I CA -0.735 60.843 61.300 0.463 0.000 1.148 99 I CB 1.027 39.182 38.000 0.259 0.000 1.323 99 I HN 0.264 nan 8.210 nan 0.000 0.461 100 Y N 4.152 124.340 120.300 -0.187 0.000 2.349 100 Y HA 0.671 5.221 4.550 -0.000 0.000 0.324 100 Y C -0.773 174.914 175.900 -0.354 0.000 1.005 100 Y CA -0.447 57.194 58.100 -0.765 0.000 1.240 100 Y CB 1.188 38.494 38.460 -1.923 0.000 1.117 100 Y HN 0.755 nan 8.280 nan 0.000 0.463 101 T N 2.350 116.263 114.554 -1.068 0.000 2.901 101 T HA 0.362 4.712 4.350 -0.000 0.000 0.293 101 T C -0.132 173.972 174.700 -0.994 0.000 1.084 101 T CA -0.898 60.698 62.100 -0.839 0.000 1.008 101 T CB 2.369 70.986 68.868 -0.419 0.000 1.170 101 T HN 0.721 nan 8.240 nan 0.000 0.509 102 N N -0.173 118.105 118.700 -0.704 0.000 2.831 102 N HA 0.059 4.799 4.740 -0.000 0.000 0.233 102 N C 1.128 176.358 175.510 -0.467 0.000 1.031 102 N CA 0.166 52.890 53.050 -0.543 0.000 1.198 102 N CB 0.405 38.610 38.487 -0.470 0.000 1.595 102 N HN 0.311 nan 8.380 nan 0.000 0.588 103 V N 1.586 121.169 119.914 -0.552 0.000 2.365 103 V HA 0.024 4.144 4.120 -0.000 0.000 0.232 103 V C 0.625 176.400 176.094 -0.531 0.000 1.065 103 V CA 0.906 62.811 62.300 -0.657 0.000 1.054 103 V CB -0.799 30.520 31.823 -0.840 0.000 0.685 103 V HN 0.402 nan 8.190 nan 0.000 0.480 104 T N 0.847 115.145 114.554 -0.427 0.000 2.772 104 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 104 T C -0.521 173.995 174.700 -0.306 0.000 1.025 104 T CA 0.778 62.693 62.100 -0.309 0.000 1.139 104 T CB -0.469 68.265 68.868 -0.224 0.000 1.053 104 T HN 0.214 nan 8.240 nan 0.000 0.483 105 Y N 4.747 124.931 120.300 -0.193 0.000 2.425 105 Y HA 0.195 4.745 4.550 -0.000 0.000 0.331 105 Y C -1.032 174.711 175.900 -0.262 0.000 1.157 105 Y CA -1.972 55.987 58.100 -0.234 0.000 1.372 105 Y CB 0.392 38.698 38.460 -0.256 0.000 1.253 105 Y HN 0.521 nan 8.280 nan 0.000 0.536 106 P HA -0.049 nan 4.420 nan 0.000 0.242 106 P C -0.103 176.956 177.300 -0.403 0.000 1.197 106 P CA 1.125 64.070 63.100 -0.259 0.000 0.765 106 P CB 0.240 31.745 31.700 -0.326 0.000 0.936 107 I N -4.295 116.029 120.570 -0.409 0.000 3.343 107 I HA 0.425 4.595 4.170 -0.000 0.000 0.315 107 I C -1.078 174.916 176.117 -0.205 0.000 1.153 107 I CA -1.000 60.061 61.300 -0.398 0.000 0.952 107 I CB 1.824 39.426 38.000 -0.663 0.000 1.287 107 I HN -0.408 nan 8.210 nan 0.000 0.472 108 T N 1.670 116.151 114.554 -0.122 0.000 2.884 108 T HA 0.359 4.709 4.350 -0.000 0.000 0.298 108 T C 0.243 174.927 174.700 -0.027 0.000 0.998 108 T CA -0.437 61.641 62.100 -0.036 0.000 1.124 108 T CB 1.173 70.052 68.868 0.019 0.000 0.931 108 T HN 0.388 nan 8.240 nan 0.000 0.531 109 V N 4.230 124.150 119.914 0.009 0.000 2.341 109 V HA 0.174 4.294 4.120 -0.000 0.000 0.248 109 V C 0.654 176.834 176.094 0.144 0.000 1.107 109 V CA -0.020 62.315 62.300 0.059 0.000 1.069 109 V CB -0.785 31.072 31.823 0.056 0.000 1.177 109 V HN 0.868 nan 8.190 nan 0.000 0.492 110 N N 6.136 124.992 118.700 0.259 0.000 2.687 110 N HA 0.260 5.000 4.740 -0.000 0.000 0.275 110 N C -2.840 172.831 175.510 0.269 0.000 1.789 110 N CA -1.469 51.736 53.050 0.259 0.000 0.806 110 N CB 1.664 40.321 38.487 0.283 0.000 1.256 110 N HN 0.262 nan 8.380 nan 0.000 0.500 111 P HA 0.193 nan 4.420 nan 0.000 0.267 111 P C -2.201 174.845 177.300 -0.424 0.000 1.200 111 P CA -0.669 62.123 63.100 -0.514 0.000 0.772 111 P CB 0.519 31.676 31.700 -0.904 0.000 0.855 112 P HA 0.174 nan 4.420 nan 0.000 0.256 112 P C -0.302 176.874 177.300 -0.207 0.000 1.384 112 P CA -0.205 62.629 63.100 -0.444 0.000 0.879 112 P CB -0.150 31.303 31.700 -0.411 0.000 1.403 113 F N 0.120 120.188 119.950 0.196 0.000 2.538 113 F HA 0.101 4.628 4.527 -0.000 0.000 0.371 113 F C 1.243 177.257 175.800 0.356 0.000 1.087 113 F CA -0.181 57.976 58.000 0.262 0.000 1.250 113 F CB 0.044 39.149 39.000 0.175 0.000 1.110 113 F HN -0.246 nan 8.300 nan 0.000 0.570 114 V N 4.709 124.958 119.914 0.558 0.000 2.881 114 V HA 0.502 4.622 4.120 -0.000 0.000 0.316 114 V C -1.974 174.337 176.094 0.362 0.000 1.070 114 V CA -1.997 60.558 62.300 0.425 0.000 0.976 114 V CB 2.205 34.336 31.823 0.513 0.000 1.038 114 V HN 0.568 nan 8.190 nan 0.000 0.446 115 P HA 0.184 nan 4.420 nan 0.000 0.280 115 P C 0.819 178.265 177.300 0.243 0.000 1.244 115 P CA -0.081 63.171 63.100 0.254 0.000 0.784 115 P CB 0.816 32.660 31.700 0.240 0.000 0.913 116 T N -0.245 114.417 114.554 0.180 0.000 2.760 116 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 116 T C 0.376 175.142 174.700 0.109 0.000 1.047 116 T CA 1.303 63.485 62.100 0.137 0.000 1.139 116 T CB -0.857 68.077 68.868 0.109 0.000 0.855 116 T HN 0.383 nan 8.240 nan 0.000 0.471 117 E N 2.601 122.886 120.200 0.142 0.000 1.936 117 E HA 0.367 4.717 4.350 -0.000 0.000 0.267 117 E C -0.437 176.232 176.600 0.114 0.000 1.076 117 E CA -0.282 56.195 56.400 0.128 0.000 0.870 117 E CB 0.230 30.033 29.700 0.172 0.000 1.093 117 E HN 0.551 nan 8.360 nan 0.000 0.411 118 N N 3.358 122.044 118.700 -0.023 0.000 3.234 118 N HA 0.194 4.934 4.740 -0.000 0.000 0.272 118 N C -2.402 172.948 175.510 -0.266 0.000 1.254 118 N CA -2.299 50.660 53.050 -0.152 0.000 1.087 118 N CB 0.368 38.790 38.487 -0.108 0.000 1.356 118 N HN 0.004 nan 8.380 nan 0.000 0.511 119 P HA -0.094 nan 4.420 nan 0.000 0.212 119 P C -0.754 176.350 177.300 -0.327 0.000 0.974 119 P CA 0.717 63.635 63.100 -0.303 0.000 1.226 119 P CB -0.529 31.289 31.700 0.197 0.000 1.258 120 T N 2.204 116.394 114.554 -0.606 0.000 2.817 120 T HA 0.472 4.822 4.350 -0.000 0.000 0.293 120 T C 0.940 175.182 174.700 -0.764 0.000 0.964 120 T CA -0.258 61.540 62.100 -0.502 0.000 1.085 120 T CB 1.123 69.698 68.868 -0.490 0.000 0.921 120 T HN 0.262 nan 8.240 nan 0.000 0.502 121 G N 1.122 109.616 108.800 -0.509 0.000 2.744 121 G HA2 0.396 4.356 3.960 -0.000 0.000 0.309 121 G HA3 0.396 4.356 3.960 -0.000 0.000 0.309 121 G C 0.077 174.737 174.900 -0.400 0.000 1.328 121 G CA -0.592 44.096 45.100 -0.687 0.000 1.034 121 G HN 0.919 nan 8.290 nan 0.000 0.518 122 C N 3.920 122.700 119.300 -0.866 0.000 2.773 122 C HA 0.184 4.644 4.460 -0.000 0.000 0.442 122 C C 0.587 175.335 174.990 -0.404 0.000 1.028 122 C CA -1.231 57.249 59.018 -0.896 0.000 1.164 122 C CB -2.709 23.829 27.740 -2.003 0.000 1.593 122 C HN 0.558 nan 8.230 nan 0.000 0.557 123 Y N 1.562 121.908 120.300 0.077 0.000 2.245 123 Y HA 0.366 4.916 4.550 -0.000 0.000 0.355 123 Y C 1.158 177.429 175.900 0.619 0.000 1.278 123 Y CA 0.435 58.781 58.100 0.410 0.000 1.593 123 Y CB 0.248 39.010 38.460 0.504 0.000 1.393 123 Y HN 0.644 nan 8.280 nan 0.000 0.662 124 S N 0.258 116.473 115.700 0.858 0.000 2.635 124 S HA 0.465 4.935 4.470 -0.000 0.000 0.327 124 S C -1.673 173.069 174.600 0.237 0.000 0.917 124 S CA -1.056 57.483 58.200 0.566 0.000 0.827 124 S CB -0.202 63.352 63.200 0.590 0.000 1.065 124 S HN 0.881 nan 8.310 nan 0.000 0.474 125 L N 0.923 122.080 121.223 -0.111 0.000 2.376 125 L HA 0.996 5.336 4.340 -0.000 0.000 0.258 125 L C -0.920 175.907 176.870 -0.072 0.000 1.013 125 L CA -0.091 54.512 54.840 -0.395 0.000 0.822 125 L CB 2.329 43.536 42.059 -1.419 0.000 1.388 125 L HN 0.712 nan 8.230 nan 0.000 0.413 126 T N 3.221 117.767 114.554 -0.014 0.000 2.855 126 T HA 0.850 5.200 4.350 -0.000 0.000 0.281 126 T C -1.268 173.577 174.700 0.241 0.000 1.007 126 T CA -0.014 62.142 62.100 0.093 0.000 1.009 126 T CB 0.894 69.756 68.868 -0.010 0.000 0.983 126 T HN 0.597 nan 8.240 nan 0.000 0.455 127 F N 0.327 120.203 119.950 -0.124 0.000 2.770 127 F HA 0.589 5.116 4.527 -0.000 0.000 0.313 127 F C -1.131 174.617 175.800 -0.086 0.000 1.154 127 F CA -1.519 56.414 58.000 -0.111 0.000 0.923 127 F CB 0.700 39.623 39.000 -0.128 0.000 1.301 127 F HN 0.367 nan 8.300 nan 0.000 0.449 128 N N -0.236 118.454 118.700 -0.016 0.000 2.495 128 N HA 0.784 5.524 4.740 -0.000 0.000 0.280 128 N C -1.651 173.840 175.510 -0.031 0.000 1.168 128 N CA -0.568 52.424 53.050 -0.097 0.000 0.978 128 N CB 1.860 40.305 38.487 -0.070 0.000 1.191 128 N HN 0.574 nan 8.380 nan 0.000 0.497 129 V N 0.719 120.574 119.914 -0.099 0.000 2.760 129 V HA 0.264 4.384 4.120 -0.000 0.000 0.309 129 V C -0.125 175.881 176.094 -0.146 0.000 1.077 129 V CA -1.035 61.211 62.300 -0.090 0.000 0.910 129 V CB 1.662 33.489 31.823 0.006 0.000 1.008 129 V HN 0.640 nan 8.190 nan 0.000 0.424 130 D N 2.190 122.414 120.400 -0.293 0.000 2.335 130 D HA 0.042 4.682 4.640 -0.000 0.000 0.236 130 D C 1.244 177.508 176.300 -0.060 0.000 1.297 130 D CA 0.202 54.062 54.000 -0.233 0.000 0.906 130 D CB 1.011 41.551 40.800 -0.433 0.000 1.164 130 D HN 0.757 nan 8.370 nan 0.000 0.469 131 E N -0.134 120.053 120.200 -0.021 0.000 2.024 131 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 131 E C 2.044 178.693 176.600 0.082 0.000 0.974 131 E CA 0.960 57.376 56.400 0.027 0.000 0.810 131 E CB -0.675 29.037 29.700 0.020 0.000 0.775 131 E HN 0.525 nan 8.360 nan 0.000 0.453 132 S N 1.275 117.036 115.700 0.100 0.000 2.399 132 S HA -0.248 4.222 4.470 -0.000 0.000 0.235 132 S C 1.735 176.448 174.600 0.188 0.000 1.063 132 S CA 1.489 59.780 58.200 0.152 0.000 1.070 132 S CB -1.028 62.286 63.200 0.190 0.000 0.904 132 S HN 0.334 nan 8.310 nan 0.000 0.456 133 W N 1.551 122.732 121.300 -0.198 0.000 2.364 133 W HA 0.164 4.824 4.660 -0.000 0.000 0.281 133 W C 2.190 178.619 176.519 -0.150 0.000 1.219 133 W CA 0.099 57.163 57.345 -0.468 0.000 1.220 133 W CB -0.545 28.637 29.460 -0.464 0.000 1.127 133 W HN 0.293 nan 8.180 nan 0.000 0.556 134 L N -0.975 120.342 121.223 0.156 0.000 2.307 134 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 134 L C 2.058 178.988 176.870 0.099 0.000 1.099 134 L CA 1.015 55.928 54.840 0.121 0.000 0.816 134 L CB -1.169 40.944 42.059 0.090 0.000 0.952 134 L HN 0.068 nan 8.230 nan 0.000 0.455 135 Q N 0.342 120.201 119.800 0.099 0.000 1.969 135 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 135 Q C 0.642 176.691 176.000 0.083 0.000 0.978 135 Q CA 1.099 56.950 55.803 0.079 0.000 0.830 135 Q CB 0.207 28.989 28.738 0.074 0.000 0.896 135 Q HN 0.557 nan 8.270 nan 0.000 0.431 136 E N -0.744 119.526 120.200 0.116 0.000 3.262 136 E HA 0.410 4.760 4.350 -0.000 0.000 0.257 136 E C 0.653 177.322 176.600 0.114 0.000 1.195 136 E CA -0.456 56.004 56.400 0.099 0.000 1.160 136 E CB 0.057 29.812 29.700 0.092 0.000 1.416 136 E HN 0.274 nan 8.360 nan 0.000 0.630 137 G N 0.511 109.296 108.800 -0.024 0.000 2.551 137 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.383 137 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.383 137 G C -0.262 174.570 174.900 -0.114 0.000 1.370 137 G CA 0.801 45.773 45.100 -0.212 0.000 0.940 137 G HN 0.542 nan 8.290 nan 0.000 0.524 138 Q N -1.089 118.581 119.800 -0.217 0.000 2.359 138 Q HA 0.585 4.925 4.340 -0.000 0.000 0.274 138 Q C -1.558 174.412 176.000 -0.050 0.000 1.074 138 Q CA -0.455 55.297 55.803 -0.085 0.000 0.810 138 Q CB 2.042 30.724 28.738 -0.093 0.000 1.342 138 Q HN 0.540 nan 8.270 nan 0.000 0.427 139 T N 3.797 118.396 114.554 0.075 0.000 2.815 139 T HA 0.455 4.805 4.350 -0.000 0.000 0.289 139 T C -1.001 173.779 174.700 0.134 0.000 1.000 139 T CA -0.538 61.636 62.100 0.123 0.000 0.958 139 T CB 0.653 69.651 68.868 0.217 0.000 0.944 139 T HN 0.491 nan 8.240 nan 0.000 0.442 140 R N 4.739 125.300 120.500 0.103 0.000 2.740 140 R HA 0.545 4.885 4.340 -0.000 0.000 0.282 140 R C -1.425 174.965 176.300 0.149 0.000 0.969 140 R CA -0.733 55.451 56.100 0.139 0.000 0.918 140 R CB 1.402 31.771 30.300 0.114 0.000 1.175 140 R HN 0.509 nan 8.270 nan 0.000 0.464 141 I N 5.757 126.439 120.570 0.187 0.000 2.377 141 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 141 I C -0.660 175.566 176.117 0.181 0.000 0.987 141 I CA -1.081 60.296 61.300 0.129 0.000 1.185 141 I CB 1.414 39.482 38.000 0.112 0.000 1.341 141 I HN 0.620 nan 8.210 nan 0.000 0.455 142 I N 7.310 127.882 120.570 0.004 0.000 2.410 142 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 142 I C -1.051 174.957 176.117 -0.182 0.000 1.009 142 I CA -0.509 60.814 61.300 0.039 0.000 1.111 142 I CB 1.262 39.290 38.000 0.047 0.000 1.262 142 I HN 0.318 nan 8.210 nan 0.000 0.443 143 F N 4.599 124.608 119.950 0.098 0.000 2.303 143 F HA 0.248 4.775 4.527 -0.000 0.000 0.368 143 F C 1.325 177.067 175.800 -0.096 0.000 1.105 143 F CA -0.421 57.559 58.000 -0.032 0.000 1.153 143 F CB 0.377 39.353 39.000 -0.040 0.000 1.362 143 F HN 0.476 nan 8.300 nan 0.000 0.511 144 D N 2.008 122.388 120.400 -0.035 0.000 2.203 144 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 144 D C 1.126 177.346 176.300 -0.134 0.000 0.997 144 D CA 1.402 55.357 54.000 -0.075 0.000 0.863 144 D CB 0.183 40.922 40.800 -0.102 0.000 0.928 144 D HN 0.625 nan 8.370 nan 0.000 0.458 145 G N -1.951 106.674 108.800 -0.292 0.000 2.616 145 G HA2 0.479 4.439 3.960 -0.000 0.000 0.294 145 G HA3 0.479 4.439 3.960 -0.000 0.000 0.294 145 G C -1.827 172.573 174.900 -0.832 0.000 1.489 145 G CA -0.496 44.249 45.100 -0.592 0.000 0.836 145 G HN -0.052 nan 8.290 nan 0.000 0.527 146 V N 1.944 121.426 119.914 -0.721 0.000 2.716 146 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 146 V C -0.974 174.992 176.094 -0.213 0.000 1.129 146 V CA -1.219 60.726 62.300 -0.592 0.000 0.926 146 V CB 1.673 32.952 31.823 -0.907 0.000 1.051 146 V HN 0.792 nan 8.190 nan 0.000 0.458 147 N N 2.359 121.052 118.700 -0.012 0.000 2.422 147 N HA 0.324 5.064 4.740 -0.000 0.000 0.266 147 N C 0.885 176.429 175.510 0.055 0.000 1.007 147 N CA 0.635 53.776 53.050 0.152 0.000 0.941 147 N CB 2.222 40.909 38.487 0.333 0.000 1.115 147 N HN 0.734 nan 8.380 nan 0.000 0.492 148 S N 2.773 118.537 115.700 0.107 0.000 2.566 148 S HA 0.403 4.873 4.470 -0.000 0.000 0.234 148 S C 0.607 175.346 174.600 0.232 0.000 1.075 148 S CA 0.211 58.516 58.200 0.176 0.000 0.926 148 S CB 0.125 63.458 63.200 0.221 0.000 0.811 148 S HN 0.589 nan 8.310 nan 0.000 0.518 149 A N 0.842 123.844 122.820 0.302 0.000 2.387 149 A HA 0.870 5.190 4.320 -0.000 0.000 0.298 149 A C -1.119 176.829 177.584 0.606 0.000 1.165 149 A CA -0.834 51.472 52.037 0.447 0.000 0.814 149 A CB 0.976 20.284 19.000 0.513 0.000 1.357 149 A HN 1.344 nan 8.150 nan 0.000 0.443 150 F N -1.194 118.963 119.950 0.346 0.000 2.654 150 F HA 0.399 4.926 4.527 -0.000 0.000 0.315 150 F C -1.361 174.576 175.800 0.230 0.000 1.042 150 F CA -0.880 57.253 58.000 0.222 0.000 1.048 150 F CB -0.077 38.961 39.000 0.064 0.000 1.287 150 F HN 0.656 nan 8.300 nan 0.000 0.501 151 H N 3.173 122.320 119.070 0.129 0.000 2.551 151 H HA 0.714 5.270 4.556 -0.000 0.000 0.358 151 H C -0.946 174.317 175.328 -0.108 0.000 1.151 151 H CA -0.221 55.811 56.048 -0.027 0.000 1.374 151 H CB 2.252 32.057 29.762 0.073 0.000 1.473 151 H HN 0.769 nan 8.280 nan 0.000 0.574 152 L N 2.446 123.469 121.223 -0.333 0.000 2.408 152 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 152 L C -1.637 174.870 176.870 -0.606 0.000 0.986 152 L CA -0.673 53.938 54.840 -0.380 0.000 0.820 152 L CB 1.603 43.260 42.059 -0.671 0.000 1.303 152 L HN 0.531 nan 8.230 nan 0.000 0.411 153 W N 4.017 125.226 121.300 -0.151 0.000 2.864 153 W HA 0.650 5.310 4.660 -0.000 0.000 0.343 153 W C -1.153 175.228 176.519 -0.229 0.000 1.109 153 W CA -0.673 56.572 57.345 -0.168 0.000 1.192 153 W CB 2.184 31.554 29.460 -0.149 0.000 1.426 153 W HN 0.583 nan 8.180 nan 0.000 0.529 154 C N 4.020 123.303 119.300 -0.028 0.000 2.551 154 C HA 0.239 4.699 4.460 -0.000 0.000 0.332 154 C C 0.190 175.204 174.990 0.041 0.000 1.139 154 C CA -0.521 58.444 59.018 -0.088 0.000 1.328 154 C CB -0.095 27.467 27.740 -0.296 0.000 1.903 154 C HN 0.788 nan 8.230 nan 0.000 0.459 155 N N 3.304 122.021 118.700 0.028 0.000 2.702 155 N HA -0.212 4.528 4.740 -0.000 0.000 0.255 155 N C 1.088 176.629 175.510 0.052 0.000 0.983 155 N CA 1.985 55.048 53.050 0.022 0.000 0.768 155 N CB -1.003 37.501 38.487 0.029 0.000 0.918 155 N HN 1.707 nan 8.380 nan 0.000 0.540 156 G N -1.137 107.686 108.800 0.038 0.000 2.253 156 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.251 156 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.251 156 G C 0.027 175.065 174.900 0.230 0.000 0.998 156 G CA 0.486 45.615 45.100 0.049 0.000 0.621 156 G HN 0.646 nan 8.290 nan 0.000 0.524 157 R N -0.736 119.929 120.500 0.275 0.000 2.294 157 R HA 0.507 4.847 4.340 -0.000 0.000 0.319 157 R C 0.044 176.493 176.300 0.249 0.000 0.984 157 R CA -0.938 55.383 56.100 0.369 0.000 0.861 157 R CB 1.120 31.678 30.300 0.431 0.000 1.104 157 R HN 0.185 nan 8.270 nan 0.000 0.451 158 W N 3.649 124.960 121.300 0.019 0.000 2.314 158 W HA -0.023 4.637 4.660 -0.000 0.000 0.339 158 W C 0.058 176.335 176.519 -0.403 0.000 1.293 158 W CA 0.268 57.228 57.345 -0.642 0.000 1.288 158 W CB 0.591 29.721 29.460 -0.549 0.000 1.186 158 W HN 0.428 nan 8.180 nan 0.000 0.566 159 V N 5.358 124.353 119.914 -1.533 0.000 3.572 159 V HA 0.494 4.614 4.120 -0.000 0.000 0.260 159 V C 1.056 176.246 176.094 -1.507 0.000 1.324 159 V CA 0.803 62.348 62.300 -1.259 0.000 1.068 159 V CB -0.328 30.841 31.823 -1.089 0.000 0.837 159 V HN 1.035 nan 8.190 nan 0.000 0.450 160 G N -0.921 106.414 108.800 -2.443 0.000 2.340 160 G HA2 0.197 4.157 3.960 -0.000 0.000 0.282 160 G HA3 0.197 4.157 3.960 -0.000 0.000 0.282 160 G C -1.785 172.869 174.900 -0.410 0.000 1.312 160 G CA -0.013 44.227 45.100 -1.433 0.000 0.942 160 G HN -0.038 nan 8.290 nan 0.000 0.495 161 Y N -0.089 120.156 120.300 -0.091 0.000 3.048 161 Y HA 0.856 5.406 4.550 -0.000 0.000 0.305 161 Y C 0.463 176.255 175.900 -0.179 0.000 1.538 161 Y CA -0.370 57.596 58.100 -0.223 0.000 1.082 161 Y CB 1.462 39.885 38.460 -0.061 0.000 1.388 161 Y HN 2.073 nan 8.280 nan 0.000 0.557 162 G N 1.204 109.632 108.800 -0.620 0.000 2.361 162 G HA2 0.502 4.462 3.960 -0.000 0.000 0.299 162 G HA3 0.502 4.462 3.960 -0.000 0.000 0.299 162 G C -2.312 172.339 174.900 -0.415 0.000 1.544 162 G CA -0.920 43.898 45.100 -0.470 0.000 0.860 162 G HN 0.618 nan 8.290 nan 0.000 0.610 163 Q N -0.283 119.399 119.800 -0.196 0.000 2.615 163 Q HA 0.624 4.964 4.340 -0.000 0.000 0.298 163 Q C -1.236 174.785 176.000 0.036 0.000 1.023 163 Q CA -0.798 54.981 55.803 -0.040 0.000 0.768 163 Q CB 2.873 31.574 28.738 -0.063 0.000 1.500 163 Q HN 0.910 nan 8.270 nan 0.000 0.441 164 D N 0.365 120.818 120.400 0.089 0.000 4.370 164 D HA -0.094 4.546 4.640 -0.000 0.000 0.238 164 D C -0.365 175.997 176.300 0.105 0.000 1.104 164 D CA 0.685 54.744 54.000 0.098 0.000 1.101 164 D CB -0.356 40.481 40.800 0.061 0.000 0.749 164 D HN 0.646 nan 8.370 nan 0.000 0.351 165 S N 3.217 118.996 115.700 0.131 0.000 2.442 165 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 165 S C 1.700 176.387 174.600 0.145 0.000 1.007 165 S CA 0.837 59.121 58.200 0.141 0.000 0.965 165 S CB 0.200 63.538 63.200 0.230 0.000 0.773 165 S HN 0.441 nan 8.310 nan 0.000 0.504 166 R N 0.659 121.238 120.500 0.132 0.000 2.100 166 R HA 0.369 4.709 4.340 -0.000 0.000 0.220 166 R C 0.457 176.822 176.300 0.108 0.000 1.091 166 R CA 0.411 56.592 56.100 0.136 0.000 0.986 166 R CB -0.644 29.750 30.300 0.157 0.000 0.888 166 R HN 0.374 nan 8.270 nan 0.000 0.444 167 L N 1.437 122.706 121.223 0.077 0.000 2.360 167 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 167 L C -2.095 174.791 176.870 0.027 0.000 1.057 167 L CA -2.345 52.523 54.840 0.047 0.000 0.803 167 L CB 1.023 43.099 42.059 0.028 0.000 1.207 167 L HN -0.065 nan 8.230 nan 0.000 0.445 168 P HA 0.115 nan 4.420 nan 0.000 0.269 168 P C -1.116 176.226 177.300 0.069 0.000 1.209 168 P CA -0.226 62.891 63.100 0.028 0.000 0.776 168 P CB 0.807 32.495 31.700 -0.019 0.000 0.876 169 S N 1.212 117.023 115.700 0.186 0.000 2.502 169 S HA 0.395 4.865 4.470 -0.000 0.000 0.304 169 S C -0.649 174.141 174.600 0.317 0.000 1.097 169 S CA -0.669 57.678 58.200 0.244 0.000 1.045 169 S CB 1.039 64.518 63.200 0.464 0.000 1.019 169 S HN 0.364 nan 8.310 nan 0.000 0.481 170 E N 1.662 121.880 120.200 0.030 0.000 2.288 170 E HA 0.687 5.037 4.350 -0.000 0.000 0.268 170 E C -1.517 174.917 176.600 -0.276 0.000 0.885 170 E CA -0.683 55.772 56.400 0.092 0.000 0.767 170 E CB 1.750 31.534 29.700 0.139 0.000 1.220 170 E HN 0.400 nan 8.360 nan 0.000 0.427 171 F N 0.186 120.213 119.950 0.127 0.000 2.619 171 F HA 0.204 4.731 4.527 -0.000 0.000 0.308 171 F C -0.380 175.471 175.800 0.084 0.000 1.097 171 F CA -1.117 56.926 58.000 0.072 0.000 0.953 171 F CB 1.501 40.516 39.000 0.023 0.000 1.287 171 F HN 0.281 nan 8.300 nan 0.000 0.446 172 D N 2.797 123.362 120.400 0.275 0.000 2.393 172 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 172 D C 0.663 177.143 176.300 0.300 0.000 1.192 172 D CA 0.289 54.420 54.000 0.219 0.000 0.882 172 D CB 0.933 41.824 40.800 0.152 0.000 1.038 172 D HN 0.544 nan 8.370 nan 0.000 0.499 173 L N 2.526 123.911 121.223 0.270 0.000 2.209 173 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 173 L C 2.175 179.292 176.870 0.412 0.000 1.094 173 L CA 0.282 55.313 54.840 0.317 0.000 0.790 173 L CB -0.240 41.960 42.059 0.236 0.000 0.932 173 L HN 0.354 nan 8.230 nan 0.000 0.447 174 S N 1.121 116.979 115.700 0.264 0.000 2.429 174 S HA -0.343 4.127 4.470 -0.000 0.000 0.251 174 S C 1.799 176.477 174.600 0.129 0.000 1.104 174 S CA 1.859 60.168 58.200 0.181 0.000 1.130 174 S CB -0.526 62.742 63.200 0.115 0.000 1.000 174 S HN 0.572 nan 8.310 nan 0.000 0.449 175 A N -0.485 122.375 122.820 0.068 0.000 2.259 175 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 175 A C 1.005 178.413 177.584 -0.293 0.000 1.201 175 A CA 0.236 52.170 52.037 -0.171 0.000 0.824 175 A CB -0.435 18.352 19.000 -0.355 0.000 0.838 175 A HN 0.513 nan 8.150 nan 0.000 0.485 176 F N -1.414 118.561 119.950 0.041 0.000 2.834 176 F HA 0.354 4.881 4.527 -0.000 0.000 0.332 176 F C 0.496 176.316 175.800 0.033 0.000 1.056 176 F CA -1.012 57.009 58.000 0.035 0.000 1.178 176 F CB -0.317 38.704 39.000 0.034 0.000 1.037 176 F HN -0.107 nan 8.300 nan 0.000 0.580 177 L N 2.165 123.545 121.223 0.260 0.000 2.485 177 L HA 0.217 4.557 4.340 -0.000 0.000 0.275 177 L C 0.663 177.585 176.870 0.086 0.000 1.207 177 L CA 0.292 55.227 54.840 0.158 0.000 0.855 177 L CB 0.448 42.612 42.059 0.175 0.000 1.114 177 L HN 0.139 nan 8.230 nan 0.000 0.485 178 R N 0.982 121.497 120.500 0.025 0.000 2.856 178 R HA 0.687 5.027 4.340 -0.000 0.000 0.258 178 R C -0.661 175.624 176.300 -0.025 0.000 1.066 178 R CA -0.846 55.250 56.100 -0.007 0.000 1.045 178 R CB 1.829 32.103 30.300 -0.043 0.000 1.178 178 R HN 0.727 nan 8.270 nan 0.000 0.499 179 A N 0.733 123.537 122.820 -0.026 0.000 2.289 179 A HA 0.575 4.895 4.320 -0.000 0.000 0.298 179 A C 0.542 178.086 177.584 -0.066 0.000 1.208 179 A CA 0.590 52.607 52.037 -0.033 0.000 0.845 179 A CB 0.381 19.371 19.000 -0.016 0.000 1.125 179 A HN 0.880 nan 8.150 nan 0.000 0.517 180 G N 1.849 110.594 108.800 -0.092 0.000 2.754 180 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.241 180 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.241 180 G C 0.055 174.841 174.900 -0.191 0.000 1.281 180 G CA 0.087 45.117 45.100 -0.116 0.000 0.971 180 G HN 0.906 nan 8.290 nan 0.000 0.569 181 E N 2.544 122.639 120.200 -0.174 0.000 2.311 181 E HA 0.144 4.494 4.350 -0.000 0.000 0.247 181 E C -0.181 176.221 176.600 -0.329 0.000 1.215 181 E CA 0.077 56.345 56.400 -0.221 0.000 0.957 181 E CB -0.236 29.380 29.700 -0.141 0.000 1.020 181 E HN 0.325 nan 8.360 nan 0.000 0.461 182 N N 3.257 121.587 118.700 -0.617 0.000 2.399 182 N HA 0.245 4.985 4.740 -0.000 0.000 0.295 182 N C -0.546 174.623 175.510 -0.568 0.000 1.048 182 N CA -0.452 52.099 53.050 -0.830 0.000 0.886 182 N CB 1.685 39.487 38.487 -1.141 0.000 1.185 182 N HN 0.266 nan 8.380 nan 0.000 0.487 183 R N 3.089 123.447 120.500 -0.237 0.000 2.352 183 R HA 0.339 4.679 4.340 -0.000 0.000 0.304 183 R C -0.837 175.496 176.300 0.054 0.000 1.104 183 R CA -0.516 55.555 56.100 -0.049 0.000 0.991 183 R CB 0.361 30.620 30.300 -0.069 0.000 1.140 183 R HN 0.519 nan 8.270 nan 0.000 0.540 184 L N 2.664 124.013 121.223 0.210 0.000 2.380 184 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 184 L C 0.249 177.222 176.870 0.172 0.000 1.138 184 L CA -0.208 54.759 54.840 0.212 0.000 0.832 184 L CB 1.477 43.690 42.059 0.255 0.000 1.124 184 L HN 0.594 nan 8.230 nan 0.000 0.454 185 A N 3.955 126.874 122.820 0.166 0.000 2.522 185 A HA 0.597 4.917 4.320 -0.000 0.000 0.285 185 A C -0.881 176.943 177.584 0.400 0.000 1.198 185 A CA -0.433 51.682 52.037 0.130 0.000 0.742 185 A CB 0.986 19.645 19.000 -0.568 0.000 1.176 185 A HN 0.361 nan 8.150 nan 0.000 0.444 186 V N 3.813 124.142 119.914 0.692 0.000 2.364 186 V HA 0.441 4.561 4.120 -0.000 0.000 0.272 186 V C 0.301 176.884 176.094 0.816 0.000 1.036 186 V CA -0.145 62.574 62.300 0.698 0.000 0.880 186 V CB 1.206 33.359 31.823 0.551 0.000 0.991 186 V HN 0.913 nan 8.190 nan 0.000 0.460 187 M N 6.991 127.069 119.600 0.797 0.000 2.044 187 M HA 0.563 5.043 4.480 -0.000 0.000 0.333 187 M C -1.428 175.131 176.300 0.432 0.000 1.004 187 M CA -0.295 55.322 55.300 0.528 0.000 0.954 187 M CB 1.239 34.187 32.600 0.581 0.000 1.468 187 M HN 0.398 nan 8.290 nan 0.000 0.414 188 V N 6.474 126.600 119.914 0.353 0.000 2.509 188 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 188 V C 0.123 176.375 176.094 0.265 0.000 1.047 188 V CA -0.687 61.817 62.300 0.340 0.000 0.952 188 V CB 1.285 33.331 31.823 0.372 0.000 0.988 188 V HN 0.869 nan 8.190 nan 0.000 0.469 189 L N 2.798 124.147 121.223 0.210 0.000 2.333 189 L HA 0.687 5.027 4.340 -0.000 0.000 0.269 189 L C 1.062 177.938 176.870 0.012 0.000 1.010 189 L CA -0.874 54.005 54.840 0.065 0.000 0.818 189 L CB 1.480 43.472 42.059 -0.112 0.000 1.306 189 L HN 0.418 nan 8.230 nan 0.000 0.430 190 R N 0.922 121.299 120.500 -0.206 0.000 2.065 190 R HA 0.077 4.417 4.340 -0.000 0.000 0.224 190 R C -0.053 176.002 176.300 -0.409 0.000 1.161 190 R CA 1.324 57.061 56.100 -0.605 0.000 0.923 190 R CB -0.038 29.458 30.300 -1.340 0.000 0.822 190 R HN 0.640 nan 8.270 nan 0.000 0.437 191 W N 0.459 121.814 121.300 0.092 0.000 2.183 191 W HA 0.273 4.933 4.660 -0.000 0.000 0.348 191 W C 0.348 176.967 176.519 0.167 0.000 1.257 191 W CA -0.610 56.797 57.345 0.103 0.000 1.324 191 W CB 0.696 30.204 29.460 0.080 0.000 1.144 191 W HN 0.208 nan 8.180 nan 0.000 0.622 192 S N -1.400 114.618 115.700 0.531 0.000 2.656 192 S HA 0.061 4.531 4.470 -0.000 0.000 0.265 192 S C -0.071 174.828 174.600 0.497 0.000 1.110 192 S CA -0.334 58.184 58.200 0.529 0.000 0.821 192 S CB 0.705 64.186 63.200 0.469 0.000 1.099 192 S HN 0.620 nan 8.310 nan 0.000 0.471 193 D N 0.966 121.650 120.400 0.474 0.000 2.218 193 D HA 0.057 4.697 4.640 -0.000 0.000 0.204 193 D C 1.918 178.535 176.300 0.530 0.000 0.976 193 D CA 1.499 55.801 54.000 0.504 0.000 0.853 193 D CB -0.925 40.027 40.800 0.252 0.000 0.939 193 D HN 0.808 nan 8.370 nan 0.000 0.481 194 G N -0.004 109.027 108.800 0.385 0.000 2.462 194 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 194 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 194 G C 1.744 176.837 174.900 0.322 0.000 1.121 194 G CA 0.978 46.271 45.100 0.322 0.000 0.758 194 G HN 0.336 nan 8.290 nan 0.000 0.559 195 S N 0.106 116.002 115.700 0.326 0.000 2.356 195 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 195 S C 1.997 176.720 174.600 0.205 0.000 1.032 195 S CA 1.177 59.528 58.200 0.252 0.000 1.005 195 S CB -0.516 62.806 63.200 0.203 0.000 0.867 195 S HN 0.498 nan 8.310 nan 0.000 0.449 196 Y N 1.736 122.107 120.300 0.117 0.000 2.219 196 Y HA -0.136 4.414 4.550 -0.000 0.000 0.283 196 Y C 1.477 177.450 175.900 0.122 0.000 1.191 196 Y CA 0.847 58.931 58.100 -0.026 0.000 1.199 196 Y CB -0.565 37.779 38.460 -0.194 0.000 0.972 196 Y HN 0.231 nan 8.280 nan 0.000 0.527 197 L N -0.361 121.042 121.223 0.300 0.000 2.848 197 L HA 0.215 4.555 4.340 -0.000 0.000 0.240 197 L C 0.155 177.162 176.870 0.230 0.000 1.232 197 L CA 0.262 55.238 54.840 0.226 0.000 1.031 197 L CB -0.141 42.029 42.059 0.185 0.000 1.338 197 L HN 0.145 nan 8.230 nan 0.000 0.509 198 E N -0.732 119.623 120.200 0.259 0.000 2.758 198 E HA 0.001 4.351 4.350 -0.000 0.000 0.215 198 E C -0.020 176.690 176.600 0.184 0.000 0.985 198 E CA -0.133 56.401 56.400 0.224 0.000 1.102 198 E CB 0.527 30.359 29.700 0.219 0.000 1.042 198 E HN 0.146 nan 8.360 nan 0.000 0.480 199 D N 1.831 122.316 120.400 0.142 0.000 2.413 199 D HA -0.058 4.582 4.640 -0.000 0.000 0.262 199 D C -0.278 176.025 176.300 0.005 0.000 1.254 199 D CA 0.457 54.425 54.000 -0.054 0.000 0.942 199 D CB -0.147 40.389 40.800 -0.439 0.000 0.937 199 D HN 0.124 nan 8.370 nan 0.000 0.508 200 Q N 0.146 120.028 119.800 0.137 0.000 2.392 200 Q HA 0.126 4.466 4.340 -0.000 0.000 0.262 200 Q C -0.058 176.041 176.000 0.165 0.000 1.003 200 Q CA -0.093 55.847 55.803 0.229 0.000 0.888 200 Q CB 0.608 29.576 28.738 0.383 0.000 1.260 200 Q HN 0.039 nan 8.270 nan 0.000 0.435 201 D N 2.906 123.425 120.400 0.198 0.000 2.429 201 D HA 0.144 4.784 4.640 -0.000 0.000 0.253 201 D C -0.569 175.855 176.300 0.205 0.000 1.294 201 D CA 0.329 54.394 54.000 0.108 0.000 1.063 201 D CB -0.285 40.619 40.800 0.174 0.000 1.096 201 D HN 0.482 nan 8.370 nan 0.000 0.516 202 M N 0.301 119.964 119.600 0.106 0.000 3.782 202 M HA 0.372 4.852 4.480 -0.000 0.000 0.341 202 M C -1.464 174.910 176.300 0.122 0.000 1.544 202 M CA -1.128 54.264 55.300 0.152 0.000 0.892 202 M CB 1.052 33.831 32.600 0.299 0.000 2.101 202 M HN -0.049 nan 8.290 nan 0.000 0.498 203 W N 2.435 123.852 121.300 0.196 0.000 2.433 203 W HA 0.495 5.155 4.660 -0.000 0.000 0.331 203 W C -0.133 176.426 176.519 0.067 0.000 1.110 203 W CA -0.099 57.340 57.345 0.156 0.000 1.450 203 W CB 0.449 29.972 29.460 0.106 0.000 1.348 203 W HN 0.326 nan 8.180 nan 0.000 0.415 204 R N 3.839 124.504 120.500 0.276 0.000 2.903 204 R HA 0.002 4.342 4.340 -0.000 0.000 0.315 204 R C 0.226 176.643 176.300 0.195 0.000 1.219 204 R CA 0.467 56.700 56.100 0.222 0.000 0.977 204 R CB -0.961 29.464 30.300 0.210 0.000 1.042 204 R HN 0.535 nan 8.270 nan 0.000 0.466 205 M N -0.273 119.365 119.600 0.062 0.000 2.440 205 M HA 0.463 4.943 4.480 -0.000 0.000 0.229 205 M C 0.186 176.338 176.300 -0.246 0.000 0.957 205 M CA -0.568 54.663 55.300 -0.115 0.000 1.431 205 M CB 1.190 33.684 32.600 -0.177 0.000 1.252 205 M HN 0.533 nan 8.290 nan 0.000 0.748 206 S N -1.627 113.804 115.700 -0.449 0.000 2.686 206 S HA 0.707 5.177 4.470 -0.000 0.000 0.273 206 S C -0.587 173.654 174.600 -0.598 0.000 1.060 206 S CA -0.417 57.413 58.200 -0.616 0.000 0.845 206 S CB 0.871 63.542 63.200 -0.881 0.000 1.086 206 S HN 1.540 nan 8.310 nan 0.000 0.461 207 G N 0.488 109.116 108.800 -0.287 0.000 2.428 207 G HA2 0.071 4.031 3.960 -0.000 0.000 0.202 207 G HA3 0.071 4.031 3.960 -0.000 0.000 0.202 207 G C -0.986 173.860 174.900 -0.090 0.000 1.247 207 G CA -0.418 44.735 45.100 0.089 0.000 1.020 207 G HN 1.523 nan 8.290 nan 0.000 0.529 208 I N 2.015 122.409 120.570 -0.293 0.000 2.417 208 I HA 0.314 4.484 4.170 -0.000 0.000 0.283 208 I C 1.146 177.084 176.117 -0.298 0.000 1.121 208 I CA -0.335 60.662 61.300 -0.505 0.000 1.211 208 I CB -0.046 37.446 38.000 -0.846 0.000 1.492 208 I HN 0.503 nan 8.210 nan 0.000 0.522 209 F N 1.431 121.260 119.950 -0.202 0.000 2.789 209 F HA 0.383 4.910 4.527 -0.000 0.000 0.300 209 F C 0.905 176.646 175.800 -0.099 0.000 1.132 209 F CA -0.332 57.580 58.000 -0.147 0.000 1.404 209 F CB -0.162 38.759 39.000 -0.132 0.000 1.114 209 F HN 0.058 nan 8.300 nan 0.000 0.584 210 R N 1.644 121.904 120.500 -0.399 0.000 2.664 210 R HA 0.187 4.527 4.340 -0.000 0.000 0.286 210 R C -0.409 175.804 176.300 -0.144 0.000 0.967 210 R CA -0.986 55.020 56.100 -0.156 0.000 0.933 210 R CB 1.071 31.277 30.300 -0.157 0.000 1.146 210 R HN 0.111 nan 8.270 nan 0.000 0.468 211 D N 0.615 120.990 120.400 -0.041 0.000 2.371 211 D HA -0.032 4.608 4.640 -0.000 0.000 0.231 211 D C -0.323 175.886 176.300 -0.151 0.000 1.283 211 D CA 0.368 54.327 54.000 -0.068 0.000 0.884 211 D CB 0.278 41.081 40.800 0.006 0.000 1.235 211 D HN 0.023 nan 8.370 nan 0.000 0.503 212 V N -0.288 119.531 119.914 -0.159 0.000 2.525 212 V HA 0.534 4.654 4.120 -0.000 0.000 0.299 212 V C -0.139 175.855 176.094 -0.167 0.000 1.034 212 V CA -0.689 61.446 62.300 -0.274 0.000 0.863 212 V CB 1.663 33.301 31.823 -0.309 0.000 0.999 212 V HN 0.559 nan 8.190 nan 0.000 0.423 213 S N 4.189 119.772 115.700 -0.195 0.000 2.745 213 S HA 0.824 5.294 4.470 -0.000 0.000 0.306 213 S C -1.114 173.459 174.600 -0.045 0.000 1.137 213 S CA -0.769 57.385 58.200 -0.078 0.000 0.900 213 S CB 1.959 65.148 63.200 -0.018 0.000 1.176 213 S HN 0.549 nan 8.310 nan 0.000 0.520 214 L N 2.133 123.391 121.223 0.060 0.000 2.476 214 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 214 L C -1.879 175.124 176.870 0.222 0.000 0.965 214 L CA -0.522 54.420 54.840 0.170 0.000 0.845 214 L CB 1.730 43.956 42.059 0.278 0.000 1.259 214 L HN 0.452 nan 8.230 nan 0.000 0.403 215 L N 3.400 124.696 121.223 0.121 0.000 2.356 215 L HA 0.464 4.804 4.340 -0.000 0.000 0.277 215 L C -0.700 176.081 176.870 -0.149 0.000 0.996 215 L CA -0.304 54.538 54.840 0.002 0.000 0.822 215 L CB 1.447 43.522 42.059 0.026 0.000 1.256 215 L HN 0.422 nan 8.230 nan 0.000 0.413 216 H N 4.915 123.645 119.070 -0.567 0.000 2.690 216 H HA 0.471 5.027 4.556 -0.000 0.000 0.280 216 H C -1.048 173.993 175.328 -0.479 0.000 1.138 216 H CA -0.245 55.306 56.048 -0.830 0.000 1.241 216 H CB 0.343 29.022 29.762 -1.805 0.000 1.394 216 H HN 0.360 nan 8.280 nan 0.000 0.489 217 K N 5.717 125.705 120.400 -0.686 0.000 2.207 217 K HA 0.336 4.656 4.320 -0.000 0.000 0.255 217 K C -2.776 173.498 176.600 -0.544 0.000 0.941 217 K CA -2.186 53.783 56.287 -0.530 0.000 0.825 217 K CB 1.757 34.049 32.500 -0.348 0.000 1.119 217 K HN 0.466 nan 8.250 nan 0.000 0.430 218 P HA 0.012 nan 4.420 nan 0.000 0.269 218 P C 0.510 177.676 177.300 -0.224 0.000 1.209 218 P CA 0.078 63.007 63.100 -0.286 0.000 0.776 218 P CB 0.326 31.908 31.700 -0.196 0.000 0.876 219 T N -0.828 113.626 114.554 -0.166 0.000 2.803 219 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 219 T C 0.643 175.262 174.700 -0.135 0.000 1.052 219 T CA 1.445 63.467 62.100 -0.131 0.000 1.136 219 T CB -0.920 67.893 68.868 -0.091 0.000 0.864 219 T HN 0.390 nan 8.240 nan 0.000 0.467 220 T N 3.693 118.166 114.554 -0.135 0.000 2.910 220 T HA 0.446 4.796 4.350 -0.000 0.000 0.323 220 T C -0.214 174.389 174.700 -0.161 0.000 1.091 220 T CA -0.801 61.207 62.100 -0.153 0.000 0.960 220 T CB 0.531 69.304 68.868 -0.157 0.000 1.024 220 T HN 0.579 nan 8.240 nan 0.000 0.509 221 Q N 2.421 122.114 119.800 -0.180 0.000 2.544 221 Q HA 0.592 4.932 4.340 -0.000 0.000 0.291 221 Q C -1.111 174.775 176.000 -0.189 0.000 1.068 221 Q CA -1.174 54.511 55.803 -0.197 0.000 0.785 221 Q CB 1.429 30.011 28.738 -0.259 0.000 1.481 221 Q HN 0.422 nan 8.270 nan 0.000 0.430 222 I N 2.545 122.985 120.570 -0.217 0.000 2.598 222 I HA -0.071 4.099 4.170 -0.000 0.000 0.284 222 I C 1.037 176.949 176.117 -0.341 0.000 1.140 222 I CA 0.454 61.639 61.300 -0.191 0.000 1.420 222 I CB 1.002 38.872 38.000 -0.217 0.000 1.387 222 I HN 0.883 nan 8.210 nan 0.000 0.553 223 S N 2.977 118.608 115.700 -0.116 0.000 2.512 223 S HA 0.213 4.683 4.470 -0.000 0.000 0.216 223 S C 0.159 174.924 174.600 0.274 0.000 1.006 223 S CA -0.256 57.902 58.200 -0.069 0.000 0.915 223 S CB 0.375 63.555 63.200 -0.033 0.000 0.824 223 S HN 0.745 nan 8.310 nan 0.000 0.497 224 D N -0.362 120.292 120.400 0.424 0.000 2.842 224 D HA 0.405 5.045 4.640 -0.000 0.000 0.248 224 D C -2.005 174.663 176.300 0.613 0.000 1.140 224 D CA -0.446 53.909 54.000 0.591 0.000 0.728 224 D CB 1.407 42.413 40.800 0.343 0.000 1.595 224 D HN 0.198 nan 8.370 nan 0.000 0.450 225 F N -0.068 120.067 119.950 0.309 0.000 2.650 225 F HA 0.606 5.133 4.527 -0.000 0.000 0.310 225 F C -1.532 174.497 175.800 0.382 0.000 1.112 225 F CA -0.721 57.408 58.000 0.216 0.000 0.986 225 F CB 0.909 40.005 39.000 0.159 0.000 1.285 225 F HN 0.274 nan 8.300 nan 0.000 0.440 226 H N 1.124 120.113 119.070 -0.135 0.000 2.747 226 H HA 0.861 5.417 4.556 -0.000 0.000 0.371 226 H C -1.332 173.912 175.328 -0.139 0.000 1.161 226 H CA -1.609 54.302 56.048 -0.228 0.000 1.167 226 H CB 2.884 32.551 29.762 -0.159 0.000 1.732 226 H HN 0.612 nan 8.280 nan 0.000 0.544 227 V N 0.865 120.759 119.914 -0.033 0.000 2.864 227 V HA 0.794 4.914 4.120 -0.000 0.000 0.314 227 V C -0.627 175.409 176.094 -0.097 0.000 1.073 227 V CA -0.583 61.675 62.300 -0.069 0.000 0.956 227 V CB 1.724 33.486 31.823 -0.101 0.000 1.023 227 V HN 0.989 nan 8.190 nan 0.000 0.435 228 A N 1.944 124.684 122.820 -0.133 0.000 2.555 228 A HA 0.792 5.112 4.320 -0.000 0.000 0.297 228 A C -0.541 176.908 177.584 -0.225 0.000 1.060 228 A CA -0.300 51.650 52.037 -0.145 0.000 0.710 228 A CB 1.888 20.834 19.000 -0.090 0.000 1.282 228 A HN 0.943 nan 8.150 nan 0.000 0.399 229 T N -0.041 114.357 114.554 -0.261 0.000 2.856 229 T HA 0.869 5.219 4.350 -0.000 0.000 0.283 229 T C -0.348 174.088 174.700 -0.441 0.000 1.008 229 T CA -0.768 61.071 62.100 -0.436 0.000 0.997 229 T CB 1.581 70.074 68.868 -0.626 0.000 0.992 229 T HN 0.747 nan 8.240 nan 0.000 0.454 230 R N 0.927 121.048 120.500 -0.631 0.000 2.744 230 R HA 0.765 5.105 4.340 -0.000 0.000 0.279 230 R C -1.391 174.464 176.300 -0.743 0.000 0.977 230 R CA -0.715 55.085 56.100 -0.500 0.000 0.906 230 R CB 1.719 31.890 30.300 -0.215 0.000 1.197 230 R HN 0.579 nan 8.270 nan 0.000 0.463 231 F N -0.078 119.842 119.950 -0.049 0.000 2.664 231 F HA 0.442 4.969 4.527 -0.000 0.000 0.329 231 F C 0.374 176.041 175.800 -0.221 0.000 1.090 231 F CA -1.210 56.717 58.000 -0.122 0.000 0.978 231 F CB 0.782 39.635 39.000 -0.244 0.000 1.378 231 F HN 0.512 nan 8.300 nan 0.000 0.495 232 N N -0.258 118.430 118.700 -0.021 0.000 2.514 232 N HA 0.125 4.865 4.740 -0.000 0.000 0.299 232 N C 0.513 175.876 175.510 -0.244 0.000 1.292 232 N CA -0.124 52.868 53.050 -0.097 0.000 0.963 232 N CB -0.213 38.249 38.487 -0.041 0.000 1.124 232 N HN 0.625 nan 8.380 nan 0.000 0.580 233 D N -1.339 118.973 120.400 -0.147 0.000 2.149 233 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 233 D C -0.098 176.123 176.300 -0.131 0.000 0.990 233 D CA 1.501 55.420 54.000 -0.135 0.000 0.839 233 D CB -0.592 40.180 40.800 -0.046 0.000 0.948 233 D HN 0.729 nan 8.370 nan 0.000 0.460 234 D N -1.175 119.192 120.400 -0.054 0.000 2.696 234 D HA 0.046 4.686 4.640 -0.000 0.000 0.269 234 D C -0.063 176.414 176.300 0.294 0.000 1.319 234 D CA -1.140 52.953 54.000 0.155 0.000 0.826 234 D CB -1.381 39.501 40.800 0.137 0.000 1.086 234 D HN 0.096 nan 8.370 nan 0.000 0.481 235 F N 0.868 120.866 119.950 0.079 0.000 3.082 235 F HA -0.288 4.239 4.527 -0.000 0.000 0.272 235 F C 1.449 177.325 175.800 0.128 0.000 0.936 235 F CA 0.921 58.993 58.000 0.121 0.000 0.920 235 F CB -2.561 36.385 39.000 -0.089 0.000 0.901 235 F HN 0.212 nan 8.300 nan 0.000 0.695 236 S N -0.852 114.970 115.700 0.205 0.000 2.593 236 S HA 0.221 4.691 4.470 -0.000 0.000 0.217 236 S C 0.578 175.241 174.600 0.104 0.000 0.966 236 S CA -0.130 58.151 58.200 0.135 0.000 0.914 236 S CB 0.291 63.541 63.200 0.084 0.000 0.776 236 S HN 0.538 nan 8.310 nan 0.000 0.523 237 R N 0.002 120.582 120.500 0.132 0.000 2.629 237 R HA 0.810 5.150 4.340 -0.000 0.000 0.266 237 R C -1.383 174.973 176.300 0.094 0.000 1.051 237 R CA -0.716 55.429 56.100 0.075 0.000 0.895 237 R CB 1.222 31.531 30.300 0.015 0.000 1.246 237 R HN 0.120 nan 8.270 nan 0.000 0.459 238 A N 1.112 123.940 122.820 0.013 0.000 2.530 238 A HA 0.839 5.159 4.320 -0.000 0.000 0.288 238 A C -1.315 176.219 177.584 -0.084 0.000 1.172 238 A CA -0.796 51.179 52.037 -0.104 0.000 0.733 238 A CB 2.259 21.260 19.000 0.002 0.000 1.320 238 A HN 0.336 nan 8.150 nan 0.000 0.419 239 V N 0.784 120.598 119.914 -0.167 0.000 2.612 239 V HA 0.449 4.569 4.120 -0.000 0.000 0.301 239 V C -1.101 174.899 176.094 -0.157 0.000 1.059 239 V CA -0.386 61.842 62.300 -0.119 0.000 0.886 239 V CB 1.309 33.054 31.823 -0.130 0.000 1.007 239 V HN 0.894 nan 8.190 nan 0.000 0.426 240 L N 3.789 124.952 121.223 -0.099 0.000 2.312 240 L HA 0.658 4.998 4.340 -0.000 0.000 0.281 240 L C -0.062 176.735 176.870 -0.122 0.000 1.070 240 L CA 0.334 55.076 54.840 -0.162 0.000 0.805 240 L CB 1.247 43.228 42.059 -0.129 0.000 1.174 240 L HN 0.864 nan 8.230 nan 0.000 0.434 241 E N 4.244 124.367 120.200 -0.127 0.000 2.182 241 E HA 0.657 5.007 4.350 -0.000 0.000 0.258 241 E C -1.530 175.027 176.600 -0.071 0.000 0.879 241 E CA -0.781 55.563 56.400 -0.094 0.000 0.754 241 E CB 1.314 30.956 29.700 -0.097 0.000 1.162 241 E HN 0.873 nan 8.360 nan 0.000 0.419 242 A N 4.567 127.357 122.820 -0.050 0.000 2.276 242 A HA 0.338 4.658 4.320 -0.000 0.000 0.316 242 A C -0.431 177.131 177.584 -0.036 0.000 1.229 242 A CA -0.579 51.452 52.037 -0.010 0.000 0.851 242 A CB 0.856 19.873 19.000 0.029 0.000 1.165 242 A HN 0.735 nan 8.150 nan 0.000 0.513 243 E N 3.110 123.285 120.200 -0.042 0.000 2.149 243 E HA 0.502 4.852 4.350 -0.000 0.000 0.255 243 E C -1.475 175.067 176.600 -0.097 0.000 0.888 243 E CA -0.448 55.872 56.400 -0.134 0.000 0.742 243 E CB 1.067 30.613 29.700 -0.256 0.000 1.164 243 E HN 0.384 nan 8.360 nan 0.000 0.422 244 V N 4.543 124.419 119.914 -0.064 0.000 2.472 244 V HA 0.286 4.406 4.120 -0.000 0.000 0.290 244 V C -0.250 175.841 176.094 -0.005 0.000 1.037 244 V CA -0.631 61.683 62.300 0.023 0.000 0.908 244 V CB 1.412 33.212 31.823 -0.038 0.000 0.985 244 V HN 0.694 nan 8.190 nan 0.000 0.454 245 Q N 4.669 124.534 119.800 0.108 0.000 2.327 245 Q HA 0.659 4.999 4.340 -0.000 0.000 0.270 245 Q C -0.579 175.542 176.000 0.201 0.000 1.022 245 Q CA -0.672 55.223 55.803 0.154 0.000 0.773 245 Q CB 2.265 31.028 28.738 0.042 0.000 1.251 245 Q HN 0.863 nan 8.270 nan 0.000 0.457 246 M N -0.329 119.458 119.600 0.311 0.000 2.267 246 M HA 0.678 5.158 4.480 -0.000 0.000 0.303 246 M C -0.835 175.414 176.300 -0.084 0.000 1.164 246 M CA -0.189 55.141 55.300 0.050 0.000 1.060 246 M CB 1.465 33.913 32.600 -0.253 0.000 1.455 246 M HN 0.542 nan 8.290 nan 0.000 0.483 247 C N 1.353 120.569 119.300 -0.141 0.000 2.698 247 C HA 0.950 5.410 4.460 -0.000 0.000 0.309 247 C C 0.519 175.410 174.990 -0.166 0.000 1.186 247 C CA 0.886 59.821 59.018 -0.138 0.000 1.474 247 C CB 0.813 28.484 27.740 -0.115 0.000 2.020 247 C HN 1.262 nan 8.230 nan 0.000 0.474 248 G N 3.738 112.450 108.800 -0.146 0.000 2.254 248 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.193 248 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.193 248 G C -0.940 173.878 174.900 -0.136 0.000 1.233 248 G CA -0.495 44.523 45.100 -0.137 0.000 1.290 248 G HN 0.656 nan 8.290 nan 0.000 0.517 249 E N 0.945 121.056 120.200 -0.147 0.000 2.028 249 E HA 0.563 4.913 4.350 -0.000 0.000 0.266 249 E C 0.139 176.625 176.600 -0.189 0.000 0.962 249 E CA -0.369 55.954 56.400 -0.129 0.000 0.784 249 E CB 0.970 30.623 29.700 -0.078 0.000 1.114 249 E HN 0.440 nan 8.360 nan 0.000 0.414 250 L N 4.150 125.257 121.223 -0.195 0.000 2.584 250 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 250 L C 0.041 176.797 176.870 -0.190 0.000 1.195 250 L CA 0.862 55.556 54.840 -0.244 0.000 0.920 250 L CB 0.081 42.024 42.059 -0.194 0.000 1.173 250 L HN 0.413 nan 8.230 nan 0.000 0.489 251 R N 3.759 124.092 120.500 -0.280 0.000 2.695 251 R HA 0.044 4.384 4.340 -0.000 0.000 0.288 251 R C 0.531 176.648 176.300 -0.306 0.000 1.344 251 R CA -0.430 55.530 56.100 -0.233 0.000 1.005 251 R CB 1.069 31.230 30.300 -0.232 0.000 1.233 251 R HN 0.864 nan 8.270 nan 0.000 0.442 252 D N 2.802 123.174 120.400 -0.048 0.000 6.119 252 D HA -0.338 4.302 4.640 -0.000 0.000 0.198 252 D C 0.913 177.234 176.300 0.036 0.000 1.748 252 D CA 2.591 56.609 54.000 0.030 0.000 0.819 252 D CB -0.222 40.641 40.800 0.105 0.000 0.813 252 D HN 0.705 nan 8.370 nan 0.000 0.760 253 Y N 0.397 120.680 120.300 -0.029 0.000 2.583 253 Y HA 0.359 4.909 4.550 -0.000 0.000 0.293 253 Y C 1.193 177.061 175.900 -0.054 0.000 1.157 253 Y CA -0.601 57.476 58.100 -0.038 0.000 1.315 253 Y CB -0.713 37.725 38.460 -0.036 0.000 1.021 253 Y HN -0.082 nan 8.280 nan 0.000 0.536 254 L N 2.690 123.622 121.223 -0.485 0.000 2.462 254 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 254 L C 0.339 177.146 176.870 -0.105 0.000 1.166 254 L CA 0.138 54.787 54.840 -0.319 0.000 0.880 254 L CB 0.240 42.104 42.059 -0.325 0.000 1.142 254 L HN 0.144 nan 8.230 nan 0.000 0.473 255 R N 2.284 122.678 120.500 -0.177 0.000 2.943 255 R HA 0.826 5.166 4.340 -0.000 0.000 0.246 255 R C -1.394 174.869 176.300 -0.062 0.000 1.201 255 R CA -0.787 55.180 56.100 -0.221 0.000 1.056 255 R CB 2.033 32.005 30.300 -0.548 0.000 1.243 255 R HN 0.311 nan 8.270 nan 0.000 0.498 256 V N 0.320 120.253 119.914 0.033 0.000 2.817 256 V HA 0.470 4.590 4.120 -0.000 0.000 0.303 256 V C -1.277 174.933 176.094 0.193 0.000 1.151 256 V CA -0.554 61.838 62.300 0.153 0.000 0.929 256 V CB 2.625 34.407 31.823 -0.068 0.000 1.030 256 V HN 0.855 nan 8.190 nan 0.000 0.427 257 T N 3.917 118.581 114.554 0.185 0.000 2.848 257 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 257 T C -0.861 173.830 174.700 -0.016 0.000 0.995 257 T CA -0.488 61.649 62.100 0.062 0.000 0.970 257 T CB 1.923 70.796 68.868 0.007 0.000 0.976 257 T HN 0.329 nan 8.240 nan 0.000 0.441 258 V N 3.823 123.722 119.914 -0.025 0.000 2.384 258 V HA 0.611 4.731 4.120 -0.000 0.000 0.287 258 V C -0.311 175.750 176.094 -0.056 0.000 1.020 258 V CA -0.471 61.811 62.300 -0.031 0.000 0.850 258 V CB 1.550 33.356 31.823 -0.028 0.000 0.987 258 V HN 1.103 nan 8.190 nan 0.000 0.436 259 S N 6.347 122.021 115.700 -0.044 0.000 2.513 259 S HA 0.813 5.283 4.470 -0.000 0.000 0.299 259 S C -1.072 173.452 174.600 -0.127 0.000 1.087 259 S CA -0.796 57.320 58.200 -0.139 0.000 1.012 259 S CB 2.284 65.406 63.200 -0.130 0.000 1.044 259 S HN 0.378 nan 8.310 nan 0.000 0.485 260 L N 2.125 123.164 121.223 -0.307 0.000 2.325 260 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 260 L C -1.804 174.885 176.870 -0.301 0.000 1.004 260 L CA -0.574 54.164 54.840 -0.170 0.000 0.823 260 L CB 0.718 42.713 42.059 -0.106 0.000 1.236 260 L HN 0.879 nan 8.230 nan 0.000 0.415 261 W N 3.999 125.381 121.300 0.136 0.000 2.656 261 W HA 0.558 5.218 4.660 -0.000 0.000 0.327 261 W C -0.275 176.390 176.519 0.243 0.000 1.041 261 W CA -0.593 56.838 57.345 0.143 0.000 1.229 261 W CB 1.530 31.032 29.460 0.070 0.000 1.397 261 W HN 0.428 nan 8.180 nan 0.000 0.479 262 Q N 3.797 123.876 119.800 0.466 0.000 2.508 262 Q HA 0.513 4.853 4.340 -0.000 0.000 0.247 262 Q C 0.731 176.833 176.000 0.170 0.000 1.047 262 Q CA 0.497 56.446 55.803 0.244 0.000 0.783 262 Q CB 0.574 29.428 28.738 0.192 0.000 1.172 262 Q HN 0.776 nan 8.270 nan 0.000 0.515 263 G N 3.168 112.038 108.800 0.117 0.000 2.559 263 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.282 263 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.282 263 G C 0.426 175.378 174.900 0.087 0.000 1.177 263 G CA 0.383 45.522 45.100 0.066 0.000 0.960 263 G HN 0.616 nan 8.290 nan 0.000 0.540 264 E N 0.457 120.713 120.200 0.094 0.000 2.498 264 E HA 0.238 4.588 4.350 -0.000 0.000 0.203 264 E C 0.287 177.064 176.600 0.293 0.000 1.013 264 E CA 0.261 56.698 56.400 0.061 0.000 0.927 264 E CB 0.489 30.182 29.700 -0.012 0.000 1.012 264 E HN 0.317 nan 8.360 nan 0.000 0.482 265 T N 1.287 116.052 114.554 0.352 0.000 2.832 265 T HA 0.065 4.415 4.350 -0.000 0.000 0.296 265 T C -0.261 174.693 174.700 0.423 0.000 0.968 265 T CA 0.012 62.320 62.100 0.346 0.000 1.107 265 T CB 1.165 70.143 68.868 0.183 0.000 0.916 265 T HN 0.042 nan 8.240 nan 0.000 0.517 266 Q N 3.251 123.101 119.800 0.083 0.000 2.279 266 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 266 Q C 0.249 176.025 176.000 -0.373 0.000 0.937 266 Q CA -0.376 54.949 55.803 -0.798 0.000 0.933 266 Q CB 0.858 28.780 28.738 -1.359 0.000 1.189 266 Q HN 0.527 nan 8.270 nan 0.000 0.417 267 V N 2.456 122.161 119.914 -0.348 0.000 3.125 267 V HA 0.341 4.461 4.120 -0.000 0.000 0.249 267 V C 0.087 176.054 176.094 -0.211 0.000 1.113 267 V CA 0.907 63.099 62.300 -0.180 0.000 1.106 267 V CB 0.581 32.371 31.823 -0.055 0.000 0.768 267 V HN 0.778 nan 8.190 nan 0.000 0.468 268 A N -0.707 121.939 122.820 -0.290 0.000 2.583 268 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 268 A C -0.709 176.729 177.584 -0.242 0.000 1.055 268 A CA 0.175 52.080 52.037 -0.220 0.000 0.714 268 A CB 1.559 20.465 19.000 -0.156 0.000 1.277 268 A HN 0.097 nan 8.150 nan 0.000 0.406 269 S N 0.243 115.836 115.700 -0.179 0.000 2.632 269 S HA 0.937 5.407 4.470 -0.000 0.000 0.289 269 S C -0.316 174.230 174.600 -0.089 0.000 1.115 269 S CA 0.124 58.239 58.200 -0.142 0.000 0.889 269 S CB 1.970 65.088 63.200 -0.136 0.000 1.116 269 S HN 2.462 nan 8.310 nan 0.000 0.486 270 G N 1.854 110.616 108.800 -0.064 0.000 2.505 270 G HA2 0.507 4.467 3.960 -0.000 0.000 0.292 270 G HA3 0.507 4.467 3.960 -0.000 0.000 0.292 270 G C -1.160 173.726 174.900 -0.024 0.000 1.332 270 G CA -0.480 44.593 45.100 -0.046 0.000 1.286 270 G HN 0.765 nan 8.290 nan 0.000 0.606 271 T N 0.154 114.704 114.554 -0.007 0.000 2.912 271 T HA 0.960 5.310 4.350 -0.000 0.000 0.288 271 T C 0.009 174.700 174.700 -0.014 0.000 1.030 271 T CA -0.065 62.048 62.100 0.022 0.000 1.020 271 T CB 2.056 70.970 68.868 0.077 0.000 1.056 271 T HN 1.929 nan 8.240 nan 0.000 0.480 272 A N 2.347 125.149 122.820 -0.029 0.000 2.569 272 A HA 0.736 5.056 4.320 -0.000 0.000 0.292 272 A C -3.252 174.281 177.584 -0.085 0.000 1.032 272 A CA -1.357 50.645 52.037 -0.059 0.000 0.669 272 A CB 0.649 19.601 19.000 -0.079 0.000 1.290 272 A HN 0.539 nan 8.150 nan 0.000 0.422 273 P HA 0.586 nan 4.420 nan 0.000 0.278 273 P C 0.069 177.340 177.300 -0.049 0.000 1.258 273 P CA -0.263 62.828 63.100 -0.015 0.000 0.811 273 P CB 0.321 32.028 31.700 0.011 0.000 1.063 274 F N 0.720 120.634 119.950 -0.061 0.000 2.364 274 F HA 0.246 4.773 4.527 -0.000 0.000 0.277 274 F C 1.782 177.566 175.800 -0.026 0.000 1.218 274 F CA 1.991 59.964 58.000 -0.045 0.000 1.302 274 F CB -0.994 37.972 39.000 -0.056 0.000 1.443 274 F HN 0.617 nan 8.300 nan 0.000 0.498 275 G N 0.236 109.184 108.800 0.246 0.000 3.276 275 G HA2 0.189 4.149 3.960 -0.000 0.000 0.540 275 G HA3 0.189 4.149 3.960 -0.000 0.000 0.540 275 G C -0.094 174.835 174.900 0.047 0.000 0.717 275 G CA -0.287 44.892 45.100 0.131 0.000 1.000 275 G HN 1.066 nan 8.290 nan 0.000 0.509 276 G N 1.358 110.195 108.800 0.062 0.000 2.795 276 G HA2 0.787 4.747 3.960 -0.000 0.000 0.267 276 G HA3 0.787 4.747 3.960 -0.000 0.000 0.267 276 G C 0.186 175.099 174.900 0.022 0.000 1.362 276 G CA -0.134 44.982 45.100 0.027 0.000 1.048 276 G HN 1.018 nan 8.290 nan 0.000 0.547 277 E N -0.905 119.301 120.200 0.011 0.000 2.369 277 E HA 0.326 4.676 4.350 -0.000 0.000 0.255 277 E C -0.520 176.080 176.600 0.000 0.000 1.172 277 E CA -0.542 55.858 56.400 0.000 0.000 0.932 277 E CB 1.059 30.753 29.700 -0.010 0.000 1.040 277 E HN 0.253 nan 8.360 nan 0.000 0.454 278 I N 1.728 122.290 120.570 -0.013 0.000 2.598 278 I HA -0.064 4.106 4.170 -0.000 0.000 0.284 278 I C 1.092 177.194 176.117 -0.024 0.000 1.140 278 I CA 0.521 61.806 61.300 -0.026 0.000 1.420 278 I CB 0.138 38.121 38.000 -0.028 0.000 1.387 278 I HN 0.597 nan 8.210 nan 0.000 0.553 279 I N 2.132 122.678 120.570 -0.039 0.000 3.136 279 I HA 0.283 4.453 4.170 -0.000 0.000 0.262 279 I C 0.100 176.193 176.117 -0.039 0.000 1.132 279 I CA 0.244 61.526 61.300 -0.030 0.000 1.450 279 I CB 0.284 38.274 38.000 -0.017 0.000 1.315 279 I HN 0.568 nan 8.210 nan 0.000 0.460 280 D N -0.127 120.237 120.400 -0.059 0.000 2.837 280 D HA 0.211 4.851 4.640 -0.000 0.000 0.294 280 D C 0.615 176.884 176.300 -0.051 0.000 1.158 280 D CA -0.468 53.502 54.000 -0.050 0.000 1.073 280 D CB 0.580 41.349 40.800 -0.051 0.000 1.419 280 D HN -0.035 nan 8.370 nan 0.000 0.584 281 E N -0.550 119.624 120.200 -0.044 0.000 2.136 281 E HA -0.176 4.174 4.350 -0.000 0.000 0.202 281 E C 1.619 178.191 176.600 -0.047 0.000 1.019 281 E CA 1.677 58.053 56.400 -0.040 0.000 0.819 281 E CB -0.087 29.593 29.700 -0.034 0.000 0.739 281 E HN 0.314 nan 8.360 nan 0.000 0.458 282 R N -0.400 120.064 120.500 -0.060 0.000 2.310 282 R HA 0.270 4.610 4.340 -0.000 0.000 0.202 282 R C 0.807 177.057 176.300 -0.083 0.000 0.933 282 R CA 0.561 56.621 56.100 -0.068 0.000 1.054 282 R CB 0.628 30.884 30.300 -0.073 0.000 0.985 282 R HN 0.204 nan 8.270 nan 0.000 0.489 283 G N -0.372 108.375 108.800 -0.087 0.000 2.297 283 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.209 283 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.209 283 G C -0.449 174.374 174.900 -0.128 0.000 1.267 283 G CA -0.702 44.343 45.100 -0.091 0.000 1.127 283 G HN 0.358 nan 8.290 nan 0.000 0.498 284 G N -1.898 106.824 108.800 -0.129 0.000 3.251 284 G HA2 0.679 4.639 3.960 -0.000 0.000 0.248 284 G HA3 0.679 4.639 3.960 -0.000 0.000 0.248 284 G C -1.554 173.223 174.900 -0.205 0.000 1.320 284 G CA -0.780 44.235 45.100 -0.141 0.000 0.982 284 G HN 0.754 nan 8.290 nan 0.000 0.575 285 Y N 0.283 120.584 120.300 0.002 0.000 2.326 285 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 285 Y C 1.289 177.217 175.900 0.046 0.000 1.023 285 Y CA 0.031 58.142 58.100 0.019 0.000 1.143 285 Y CB 2.101 40.572 38.460 0.019 0.000 1.183 285 Y HN 0.549 nan 8.280 nan 0.000 0.485 286 A N 1.669 124.603 122.820 0.191 0.000 1.855 286 A HA -0.109 4.211 4.320 -0.000 0.000 0.213 286 A C 1.071 178.818 177.584 0.270 0.000 1.195 286 A CA 1.200 53.330 52.037 0.155 0.000 0.610 286 A CB -0.446 18.597 19.000 0.072 0.000 0.837 286 A HN 0.810 nan 8.150 nan 0.000 0.444 287 D N -0.048 120.497 120.400 0.241 0.000 2.982 287 D HA 0.279 4.919 4.640 -0.000 0.000 0.238 287 D C 0.242 176.850 176.300 0.513 0.000 1.168 287 D CA 0.145 54.302 54.000 0.263 0.000 0.947 287 D CB -0.393 40.457 40.800 0.083 0.000 1.147 287 D HN 0.348 nan 8.370 nan 0.000 0.450 288 R N -1.053 119.786 120.500 0.566 0.000 2.709 288 R HA 0.565 4.905 4.340 -0.000 0.000 0.270 288 R C -1.963 174.230 176.300 -0.179 0.000 1.038 288 R CA -0.949 55.212 56.100 0.102 0.000 0.872 288 R CB 2.126 32.435 30.300 0.014 0.000 1.259 288 R HN 0.061 nan 8.270 nan 0.000 0.473 289 V N -0.393 119.335 119.914 -0.309 0.000 3.242 289 V HA 0.762 4.882 4.120 -0.000 0.000 0.298 289 V C -1.854 174.117 176.094 -0.205 0.000 1.352 289 V CA -0.151 61.973 62.300 -0.293 0.000 1.052 289 V CB 2.770 34.302 31.823 -0.485 0.000 1.101 289 V HN 0.775 nan 8.190 nan 0.000 0.446 290 T N 4.862 119.324 114.554 -0.154 0.000 3.031 290 T HA 0.639 4.989 4.350 -0.000 0.000 0.305 290 T C -1.134 173.504 174.700 -0.102 0.000 0.985 290 T CA -0.222 61.806 62.100 -0.121 0.000 1.008 290 T CB 1.037 69.845 68.868 -0.101 0.000 1.005 290 T HN 0.645 nan 8.240 nan 0.000 0.444 291 L N 3.015 124.182 121.223 -0.093 0.000 2.360 291 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 291 L C 0.594 177.422 176.870 -0.071 0.000 1.057 291 L CA -0.467 54.326 54.840 -0.078 0.000 0.803 291 L CB 0.814 42.830 42.059 -0.072 0.000 1.207 291 L HN 0.442 nan 8.230 nan 0.000 0.445 292 R N 3.403 123.862 120.500 -0.067 0.000 2.545 292 R HA 0.494 4.834 4.340 -0.000 0.000 0.289 292 R C -1.447 174.814 176.300 -0.065 0.000 1.327 292 R CA -0.530 55.529 56.100 -0.068 0.000 1.040 292 R CB 0.831 31.090 30.300 -0.068 0.000 1.176 292 R HN 0.492 nan 8.270 nan 0.000 0.518 293 L N 0.688 121.872 121.223 -0.066 0.000 2.334 293 L HA 0.513 4.853 4.340 -0.000 0.000 0.277 293 L C -0.035 176.799 176.870 -0.060 0.000 1.075 293 L CA -1.092 53.709 54.840 -0.066 0.000 0.804 293 L CB 0.671 42.685 42.059 -0.075 0.000 1.174 293 L HN 0.279 nan 8.230 nan 0.000 0.438 294 N N 1.820 120.482 118.700 -0.064 0.000 2.419 294 N HA 0.428 5.168 4.740 -0.000 0.000 0.277 294 N C -0.886 174.579 175.510 -0.075 0.000 1.006 294 N CA -0.328 52.685 53.050 -0.062 0.000 0.923 294 N CB 2.556 41.008 38.487 -0.057 0.000 1.140 294 N HN 0.347 nan 8.380 nan 0.000 0.488 295 V N 1.605 121.471 119.914 -0.081 0.000 2.378 295 V HA 0.274 4.394 4.120 -0.000 0.000 0.288 295 V C 0.436 176.454 176.094 -0.126 0.000 1.016 295 V CA -0.797 61.412 62.300 -0.152 0.000 0.840 295 V CB 1.601 33.241 31.823 -0.304 0.000 0.994 295 V HN 0.552 nan 8.190 nan 0.000 0.431 296 E N 3.706 123.847 120.200 -0.098 0.000 2.313 296 E HA 0.282 4.632 4.350 -0.000 0.000 0.272 296 E C 0.180 176.749 176.600 -0.052 0.000 1.038 296 E CA -0.394 55.974 56.400 -0.053 0.000 0.863 296 E CB 0.464 30.143 29.700 -0.035 0.000 1.060 296 E HN 0.744 nan 8.360 nan 0.000 0.402 297 N N 2.311 121.007 118.700 -0.007 0.000 2.698 297 N HA -0.150 4.590 4.740 -0.000 0.000 0.258 297 N C -2.372 173.127 175.510 -0.018 0.000 0.978 297 N CA 0.076 53.134 53.050 0.013 0.000 0.777 297 N CB -1.266 37.228 38.487 0.013 0.000 0.907 297 N HN 0.351 nan 8.380 nan 0.000 0.543 298 P HA 0.056 nan 4.420 nan 0.000 0.273 298 P C 0.032 177.330 177.300 -0.003 0.000 1.258 298 P CA 0.331 63.297 63.100 -0.222 0.000 0.802 298 P CB 0.623 31.987 31.700 -0.560 0.000 1.040 299 K N 0.448 120.919 120.400 0.118 0.000 2.449 299 K HA 0.368 4.688 4.320 -0.000 0.000 0.257 299 K C -0.165 176.556 176.600 0.201 0.000 0.989 299 K CA -0.499 55.864 56.287 0.126 0.000 0.916 299 K CB 0.489 33.021 32.500 0.054 0.000 1.136 299 K HN 0.338 nan 8.250 nan 0.000 0.439 300 L N 1.428 122.712 121.223 0.101 0.000 2.476 300 L HA 0.214 4.554 4.340 -0.000 0.000 0.264 300 L C -0.033 176.919 176.870 0.137 0.000 1.224 300 L CA -0.238 54.664 54.840 0.103 0.000 0.821 300 L CB 0.184 42.139 42.059 -0.174 0.000 1.101 300 L HN 0.638 nan 8.230 nan 0.000 0.488 301 W N 2.230 123.516 121.300 -0.023 0.000 2.411 301 W HA 0.488 5.148 4.660 -0.000 0.000 0.317 301 W C -0.523 175.965 176.519 -0.053 0.000 1.030 301 W CA -0.244 57.096 57.345 -0.009 0.000 1.239 301 W CB 1.439 30.952 29.460 0.088 0.000 1.304 301 W HN 0.580 nan 8.180 nan 0.000 0.437 302 S N 3.331 118.640 115.700 -0.651 0.000 2.595 302 S HA 0.680 5.150 4.470 -0.000 0.000 0.281 302 S C 0.491 174.550 174.600 -0.902 0.000 1.117 302 S CA -0.376 57.508 58.200 -0.526 0.000 0.873 302 S CB 1.560 64.689 63.200 -0.119 0.000 1.108 302 S HN 0.853 nan 8.310 nan 0.000 0.477 303 A N 0.889 123.215 122.820 -0.824 0.000 2.024 303 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 303 A C 1.807 179.083 177.584 -0.512 0.000 1.164 303 A CA 1.798 53.316 52.037 -0.865 0.000 0.643 303 A CB -1.022 17.338 19.000 -1.067 0.000 0.806 303 A HN 0.928 nan 8.150 nan 0.000 0.451 304 E N -0.765 119.248 120.200 -0.312 0.000 2.077 304 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 304 E C -0.070 176.385 176.600 -0.242 0.000 0.989 304 E CA 0.857 57.106 56.400 -0.251 0.000 0.800 304 E CB -0.111 29.510 29.700 -0.131 0.000 0.746 304 E HN 0.652 nan 8.360 nan 0.000 0.452 305 I N 1.243 121.656 120.570 -0.263 0.000 2.531 305 I HA 0.176 4.346 4.170 -0.000 0.000 0.283 305 I C -2.604 173.303 176.117 -0.350 0.000 1.083 305 I CA -2.050 59.118 61.300 -0.221 0.000 1.071 305 I CB 2.376 40.290 38.000 -0.144 0.000 1.210 305 I HN -0.237 nan 8.210 nan 0.000 0.450 306 P HA 0.164 nan 4.420 nan 0.000 0.219 306 P C -0.615 176.699 177.300 0.024 0.000 1.832 306 P CA -0.432 62.386 63.100 -0.470 0.000 1.014 306 P CB -0.171 31.388 31.700 -0.235 0.000 1.939 307 N N 1.768 120.506 118.700 0.065 0.000 2.412 307 N HA 0.087 4.827 4.740 -0.000 0.000 0.254 307 N C 0.006 175.702 175.510 0.309 0.000 1.232 307 N CA 0.626 53.758 53.050 0.138 0.000 0.880 307 N CB 0.589 39.127 38.487 0.085 0.000 1.076 307 N HN 0.299 nan 8.380 nan 0.000 0.458 308 L N 2.147 123.427 121.223 0.096 0.000 2.388 308 L HA 0.462 4.802 4.340 -0.000 0.000 0.264 308 L C -1.102 175.766 176.870 -0.003 0.000 0.998 308 L CA -0.793 54.133 54.840 0.143 0.000 0.817 308 L CB 1.510 43.652 42.059 0.139 0.000 1.338 308 L HN 0.453 nan 8.230 nan 0.000 0.414 309 Y N 0.578 120.995 120.300 0.196 0.000 2.536 309 Y HA 0.503 5.053 4.550 -0.000 0.000 0.347 309 Y C -0.193 175.815 175.900 0.179 0.000 1.000 309 Y CA -0.729 57.493 58.100 0.203 0.000 1.051 309 Y CB 2.327 40.953 38.460 0.276 0.000 1.259 309 Y HN 0.396 nan 8.280 nan 0.000 0.468 310 R N 1.575 122.321 120.500 0.409 0.000 2.294 310 R HA 0.810 5.150 4.340 -0.000 0.000 0.319 310 R C -1.341 175.168 176.300 0.349 0.000 0.984 310 R CA -0.524 55.768 56.100 0.320 0.000 0.861 310 R CB 0.779 31.203 30.300 0.207 0.000 1.104 310 R HN 0.763 nan 8.270 nan 0.000 0.451 311 A N 4.361 127.328 122.820 0.245 0.000 2.311 311 A HA 0.495 4.815 4.320 -0.000 0.000 0.306 311 A C -0.859 176.821 177.584 0.159 0.000 1.189 311 A CA -0.679 51.478 52.037 0.200 0.000 0.791 311 A CB 1.154 20.248 19.000 0.157 0.000 1.172 311 A HN 0.483 nan 8.150 nan 0.000 0.481 312 V N 1.700 121.712 119.914 0.162 0.000 2.532 312 V HA 0.600 4.720 4.120 -0.000 0.000 0.295 312 V C -0.130 175.967 176.094 0.006 0.000 1.041 312 V CA -0.666 61.679 62.300 0.075 0.000 0.926 312 V CB 1.464 33.355 31.823 0.115 0.000 0.992 312 V HN 0.574 nan 8.190 nan 0.000 0.457 313 V N 3.505 123.381 119.914 -0.063 0.000 2.340 313 V HA 0.339 4.459 4.120 -0.000 0.000 0.277 313 V C -0.115 175.924 176.094 -0.092 0.000 1.017 313 V CA -0.563 61.675 62.300 -0.103 0.000 0.820 313 V CB 0.820 32.505 31.823 -0.230 0.000 1.028 313 V HN 0.978 nan 8.190 nan 0.000 0.436 314 E N 4.407 124.558 120.200 -0.081 0.000 2.105 314 E HA 0.319 4.668 4.350 -0.000 0.000 0.285 314 E C -0.578 176.028 176.600 0.010 0.000 1.055 314 E CA -0.808 55.525 56.400 -0.112 0.000 0.843 314 E CB 2.149 31.673 29.700 -0.292 0.000 1.067 314 E HN 0.453 nan 8.360 nan 0.000 0.398 315 L N 5.953 127.212 121.223 0.060 0.000 2.328 315 L HA 0.141 4.481 4.340 -0.000 0.000 0.280 315 L C -0.287 176.724 176.870 0.236 0.000 1.111 315 L CA -0.083 54.857 54.840 0.167 0.000 0.909 315 L CB -0.686 41.418 42.059 0.075 0.000 1.277 315 L HN 0.526 nan 8.230 nan 0.000 0.433 316 H N 1.542 120.625 119.070 0.023 0.000 3.664 316 H HA 0.816 5.372 4.556 -0.000 0.000 0.282 316 H C -0.667 174.675 175.328 0.024 0.000 1.666 316 H CA -0.358 55.704 56.048 0.024 0.000 1.548 316 H CB 0.172 29.953 29.762 0.032 0.000 1.247 316 H HN 0.374 nan 8.280 nan 0.000 0.857 317 T N -3.920 110.610 114.554 -0.040 0.000 2.912 317 T HA 0.598 4.948 4.350 -0.000 0.000 0.299 317 T C 0.986 175.638 174.700 -0.079 0.000 1.052 317 T CA -0.397 61.688 62.100 -0.023 0.000 0.996 317 T CB 1.909 70.892 68.868 0.191 0.000 1.070 317 T HN 0.809 nan 8.240 nan 0.000 0.465 318 A N 1.920 124.710 122.820 -0.050 0.000 2.148 318 A HA -0.180 4.140 4.320 -0.000 0.000 0.222 318 A C 1.832 179.428 177.584 0.020 0.000 1.161 318 A CA 2.374 54.387 52.037 -0.041 0.000 0.662 318 A CB -1.176 17.823 19.000 -0.003 0.000 0.799 318 A HN 1.045 nan 8.150 nan 0.000 0.466 319 D N -2.184 118.249 120.400 0.054 0.000 2.149 319 D HA 0.242 4.882 4.640 -0.000 0.000 0.201 319 D C 1.223 177.573 176.300 0.083 0.000 0.972 319 D CA 1.373 55.409 54.000 0.059 0.000 0.835 319 D CB -0.519 40.312 40.800 0.051 0.000 0.966 319 D HN 0.983 nan 8.370 nan 0.000 0.476 320 G N -1.473 107.402 108.800 0.126 0.000 2.247 320 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.111 320 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.111 320 G C -0.132 174.861 174.900 0.155 0.000 1.045 320 G CA -0.043 45.170 45.100 0.188 0.000 0.715 320 G HN 0.359 nan 8.290 nan 0.000 0.485 321 T N 1.483 116.129 114.554 0.154 0.000 2.947 321 T HA 0.471 4.821 4.350 -0.000 0.000 0.337 321 T C 0.579 175.362 174.700 0.139 0.000 1.139 321 T CA -0.381 61.791 62.100 0.120 0.000 0.992 321 T CB 0.954 69.876 68.868 0.090 0.000 1.043 321 T HN 0.504 nan 8.240 nan 0.000 0.498 322 L N 4.361 125.656 121.223 0.119 0.000 2.640 322 L HA 0.003 4.343 4.340 -0.000 0.000 0.280 322 L C 0.751 177.666 176.870 0.075 0.000 1.229 322 L CA 0.303 55.202 54.840 0.098 0.000 0.919 322 L CB 0.327 42.413 42.059 0.045 0.000 1.168 322 L HN 0.579 nan 8.230 nan 0.000 0.496 323 I N 3.099 123.712 120.570 0.071 0.000 2.867 323 I HA 0.142 4.312 4.170 -0.000 0.000 0.265 323 I C 0.545 176.661 176.117 -0.001 0.000 1.162 323 I CA 0.735 62.052 61.300 0.028 0.000 1.471 323 I CB -0.243 37.762 38.000 0.008 0.000 1.123 323 I HN 0.787 nan 8.210 nan 0.000 0.440 324 E N -0.635 119.570 120.200 0.008 0.000 2.381 324 E HA 0.595 4.945 4.350 -0.000 0.000 0.281 324 E C -1.857 174.751 176.600 0.014 0.000 1.151 324 E CA -0.673 55.728 56.400 0.001 0.000 0.904 324 E CB 0.540 30.200 29.700 -0.067 0.000 1.234 324 E HN -0.047 nan 8.360 nan 0.000 0.427 325 A N 1.989 124.851 122.820 0.069 0.000 2.469 325 A HA 0.836 5.156 4.320 -0.000 0.000 0.299 325 A C -1.220 176.459 177.584 0.159 0.000 1.098 325 A CA -0.648 51.431 52.037 0.071 0.000 0.737 325 A CB 1.943 20.973 19.000 0.049 0.000 1.312 325 A HN 0.500 nan 8.150 nan 0.000 0.414 326 E N -0.602 119.623 120.200 0.043 0.000 2.356 326 E HA 0.706 5.056 4.350 -0.000 0.000 0.275 326 E C -0.733 175.851 176.600 -0.026 0.000 0.904 326 E CA -0.503 55.942 56.400 0.074 0.000 0.757 326 E CB 2.427 32.077 29.700 -0.082 0.000 1.232 326 E HN 1.086 nan 8.360 nan 0.000 0.442 327 A N 0.468 123.375 122.820 0.145 0.000 2.567 327 A HA 0.913 5.233 4.320 -0.000 0.000 0.289 327 A C -1.002 176.736 177.584 0.257 0.000 1.177 327 A CA -0.276 51.819 52.037 0.097 0.000 0.694 327 A CB 1.233 20.172 19.000 -0.102 0.000 1.292 327 A HN 1.022 nan 8.150 nan 0.000 0.425 328 C N -1.319 118.098 119.300 0.195 0.000 3.034 328 C HA 0.649 5.109 4.460 -0.000 0.000 0.336 328 C C -1.917 173.160 174.990 0.146 0.000 1.304 328 C CA -0.958 58.172 59.018 0.186 0.000 1.197 328 C CB 0.230 28.087 27.740 0.195 0.000 1.373 328 C HN 0.982 nan 8.230 nan 0.000 0.459 329 D N 0.574 121.046 120.400 0.120 0.000 2.181 329 D HA 0.681 5.321 4.640 -0.000 0.000 0.248 329 D C -0.560 175.798 176.300 0.096 0.000 1.020 329 D CA -0.435 53.642 54.000 0.129 0.000 0.891 329 D CB 1.805 42.678 40.800 0.121 0.000 1.187 329 D HN 0.641 nan 8.370 nan 0.000 0.443 330 V N 0.655 120.664 119.914 0.158 0.000 2.656 330 V HA 0.789 4.909 4.120 -0.000 0.000 0.307 330 V C 0.261 176.475 176.094 0.199 0.000 1.051 330 V CA -0.787 61.574 62.300 0.102 0.000 0.893 330 V CB 2.123 33.993 31.823 0.078 0.000 0.999 330 V HN 0.722 nan 8.190 nan 0.000 0.426 331 G N 2.654 111.455 108.800 0.002 0.000 2.478 331 G HA2 0.616 4.576 3.960 -0.000 0.000 0.317 331 G HA3 0.616 4.576 3.960 -0.000 0.000 0.317 331 G C -1.128 173.836 174.900 0.107 0.000 1.259 331 G CA -0.392 44.759 45.100 0.086 0.000 0.933 331 G HN 0.398 nan 8.290 nan 0.000 0.478 332 F N 2.470 122.589 119.950 0.282 0.000 2.434 332 F HA 0.494 5.021 4.527 -0.000 0.000 0.358 332 F C 0.989 177.005 175.800 0.360 0.000 1.136 332 F CA -0.233 57.992 58.000 0.376 0.000 1.157 332 F CB 0.780 40.048 39.000 0.446 0.000 1.167 332 F HN 0.549 nan 8.300 nan 0.000 0.539 333 R N 1.247 121.993 120.500 0.410 0.000 2.634 333 R HA 0.441 4.781 4.340 -0.000 0.000 0.263 333 R C -1.632 174.790 176.300 0.203 0.000 1.060 333 R CA -1.032 55.188 56.100 0.199 0.000 0.898 333 R CB 1.385 31.832 30.300 0.245 0.000 1.253 333 R HN 0.418 nan 8.270 nan 0.000 0.461 334 E N 2.453 122.693 120.200 0.067 0.000 2.165 334 E HA 0.398 4.748 4.350 -0.000 0.000 0.266 334 E C -1.209 175.451 176.600 0.100 0.000 0.889 334 E CA -0.934 55.573 56.400 0.179 0.000 0.756 334 E CB 1.893 31.773 29.700 0.300 0.000 1.131 334 E HN 0.468 nan 8.360 nan 0.000 0.411 335 V N 5.627 125.592 119.914 0.084 0.000 2.370 335 V HA 0.526 4.646 4.120 -0.000 0.000 0.279 335 V C 0.068 176.192 176.094 0.050 0.000 1.029 335 V CA -0.572 61.751 62.300 0.039 0.000 0.870 335 V CB 1.025 32.853 31.823 0.008 0.000 0.984 335 V HN 0.653 nan 8.190 nan 0.000 0.451 336 R N 4.605 125.131 120.500 0.044 0.000 2.566 336 R HA 0.587 4.927 4.340 -0.000 0.000 0.271 336 R C -1.807 174.511 176.300 0.030 0.000 1.071 336 R CA -0.754 55.374 56.100 0.048 0.000 0.915 336 R CB 1.752 32.096 30.300 0.073 0.000 1.228 336 R HN 0.668 nan 8.270 nan 0.000 0.449 337 I N 3.635 124.221 120.570 0.027 0.000 2.301 337 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 337 I C -0.236 175.893 176.117 0.020 0.000 1.046 337 I CA 0.048 61.358 61.300 0.016 0.000 1.282 337 I CB 1.278 39.287 38.000 0.015 0.000 1.409 337 I HN 0.592 nan 8.210 nan 0.000 0.484 338 E N 7.333 127.543 120.200 0.017 0.000 2.220 338 E HA 0.245 4.595 4.350 -0.000 0.000 0.256 338 E C -0.318 176.288 176.600 0.010 0.000 0.881 338 E CA -0.567 55.844 56.400 0.019 0.000 0.766 338 E CB 0.780 30.497 29.700 0.028 0.000 1.187 338 E HN 0.541 nan 8.360 nan 0.000 0.419 339 N N 3.625 122.329 118.700 0.008 0.000 2.862 339 N HA -0.170 4.570 4.740 -0.000 0.000 0.246 339 N C 0.468 175.976 175.510 -0.004 0.000 1.111 339 N CA 1.889 54.941 53.050 0.003 0.000 0.688 339 N CB -1.287 37.202 38.487 0.003 0.000 1.018 339 N HN 1.054 nan 8.380 nan 0.000 0.556 340 G N -1.709 107.088 108.800 -0.006 0.000 2.320 340 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 340 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 340 G C 0.089 174.973 174.900 -0.026 0.000 1.033 340 G CA 0.512 45.603 45.100 -0.015 0.000 0.620 340 G HN 0.472 nan 8.290 nan 0.000 0.517 341 L N 0.856 122.065 121.223 -0.022 0.000 2.343 341 L HA 0.731 5.071 4.340 -0.000 0.000 0.275 341 L C 0.433 177.285 176.870 -0.031 0.000 1.056 341 L CA -1.194 53.626 54.840 -0.033 0.000 0.804 341 L CB 1.560 43.603 42.059 -0.028 0.000 1.203 341 L HN 0.233 nan 8.230 nan 0.000 0.440 342 L N 3.758 124.951 121.223 -0.049 0.000 2.265 342 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 342 L C -0.811 176.031 176.870 -0.046 0.000 1.058 342 L CA 0.395 55.206 54.840 -0.048 0.000 0.809 342 L CB 0.526 42.542 42.059 -0.071 0.000 1.179 342 L HN 0.408 nan 8.230 nan 0.000 0.429 343 L N 5.189 126.399 121.223 -0.021 0.000 2.304 343 L HA 0.654 4.994 4.340 -0.000 0.000 0.268 343 L C -0.997 175.871 176.870 -0.002 0.000 1.010 343 L CA -1.020 53.818 54.840 -0.004 0.000 0.813 343 L CB 2.024 44.102 42.059 0.033 0.000 1.315 343 L HN 0.612 nan 8.230 nan 0.000 0.445 344 L N 1.613 122.852 121.223 0.026 0.000 2.580 344 L HA 0.397 4.737 4.340 -0.000 0.000 0.266 344 L C -0.836 176.042 176.870 0.014 0.000 0.955 344 L CA -0.240 54.618 54.840 0.030 0.000 0.886 344 L CB 1.310 43.388 42.059 0.031 0.000 1.263 344 L HN 0.615 nan 8.230 nan 0.000 0.406 345 N N 3.475 122.066 118.700 -0.182 0.000 2.710 345 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 345 N C 0.921 176.142 175.510 -0.481 0.000 1.059 345 N CA 1.487 54.135 53.050 -0.671 0.000 0.720 345 N CB -1.412 36.496 38.487 -0.966 0.000 0.983 345 N HN 1.176 nan 8.380 nan 0.000 0.544 346 G N -2.219 106.569 108.800 -0.020 0.000 2.148 346 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 346 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 346 G C 0.011 174.964 174.900 0.087 0.000 0.981 346 G CA 0.940 46.124 45.100 0.141 0.000 0.670 346 G HN 0.471 nan 8.290 nan 0.000 0.528 347 K N -0.014 120.432 120.400 0.078 0.000 2.281 347 K HA 0.632 4.952 4.320 -0.000 0.000 0.242 347 K C -2.977 173.617 176.600 -0.010 0.000 0.971 347 K CA -2.095 54.206 56.287 0.025 0.000 0.834 347 K CB 2.393 34.880 32.500 -0.023 0.000 1.181 347 K HN -0.031 nan 8.250 nan 0.000 0.435 348 P HA 0.375 nan 4.420 nan 0.000 0.301 348 P C -0.340 176.903 177.300 -0.094 0.000 1.348 348 P CA -0.515 62.547 63.100 -0.064 0.000 0.826 348 P CB 0.662 32.326 31.700 -0.059 0.000 0.945 349 L N 3.384 124.546 121.223 -0.102 0.000 2.439 349 L HA 0.262 4.602 4.340 -0.000 0.000 0.269 349 L C 0.488 177.293 176.870 -0.109 0.000 1.179 349 L CA -0.376 54.396 54.840 -0.114 0.000 0.828 349 L CB 0.240 42.192 42.059 -0.179 0.000 1.106 349 L HN 0.243 nan 8.230 nan 0.000 0.467 350 L N 4.500 125.687 121.223 -0.060 0.000 2.345 350 L HA 0.432 4.772 4.340 -0.000 0.000 0.274 350 L C -0.570 176.309 176.870 0.014 0.000 0.999 350 L CA -0.198 54.612 54.840 -0.049 0.000 0.849 350 L CB 0.991 43.066 42.059 0.028 0.000 1.220 350 L HN 0.260 nan 8.230 nan 0.000 0.422 351 I N 5.164 125.676 120.570 -0.096 0.000 2.308 351 I HA 0.275 4.445 4.170 -0.000 0.000 0.293 351 I C 0.433 176.546 176.117 -0.007 0.000 1.078 351 I CA -0.068 61.182 61.300 -0.083 0.000 1.292 351 I CB 0.491 38.312 38.000 -0.298 0.000 1.423 351 I HN 0.543 nan 8.210 nan 0.000 0.493 352 R N 4.729 125.313 120.500 0.140 0.000 2.565 352 R HA 0.542 4.882 4.340 -0.000 0.000 0.286 352 R C 0.489 176.908 176.300 0.197 0.000 1.256 352 R CA -0.244 55.943 56.100 0.144 0.000 1.238 352 R CB 0.770 30.999 30.300 -0.119 0.000 1.153 352 R HN 0.786 nan 8.270 nan 0.000 0.553 353 G N 0.181 109.130 108.800 0.248 0.000 2.658 353 G HA2 0.588 4.548 3.960 -0.000 0.000 0.292 353 G HA3 0.588 4.548 3.960 -0.000 0.000 0.292 353 G C -1.586 173.809 174.900 0.825 0.000 1.320 353 G CA -0.493 44.914 45.100 0.511 0.000 0.933 353 G HN 0.252 nan 8.290 nan 0.000 0.476 354 V N 0.027 120.434 119.914 0.821 0.000 2.962 354 V HA 0.522 4.642 4.120 -0.000 0.000 0.313 354 V C -0.759 175.538 176.094 0.339 0.000 1.099 354 V CA -1.205 61.400 62.300 0.509 0.000 0.971 354 V CB 2.138 34.001 31.823 0.068 0.000 1.028 354 V HN 0.775 nan 8.190 nan 0.000 0.430 355 N N 4.248 123.099 118.700 0.252 0.000 2.524 355 N HA 0.494 5.234 4.740 -0.000 0.000 0.283 355 N C -0.730 174.709 175.510 -0.119 0.000 1.142 355 N CA -0.380 52.717 53.050 0.079 0.000 0.984 355 N CB 1.303 39.947 38.487 0.262 0.000 1.155 355 N HN 0.629 nan 8.380 nan 0.000 0.467 356 R N 2.019 122.415 120.500 -0.172 0.000 2.659 356 R HA 0.162 4.502 4.340 -0.000 0.000 0.290 356 R C -1.365 174.826 176.300 -0.182 0.000 1.253 356 R CA -0.535 55.474 56.100 -0.152 0.000 1.010 356 R CB 0.243 30.447 30.300 -0.159 0.000 1.236 356 R HN 0.603 nan 8.270 nan 0.000 0.413 357 H N 1.318 120.221 119.070 -0.277 0.000 2.597 357 H HA 0.170 4.726 4.556 -0.000 0.000 0.370 357 H C -0.208 175.081 175.328 -0.066 0.000 1.281 357 H CA 0.303 56.259 56.048 -0.154 0.000 1.422 357 H CB 0.887 30.609 29.762 -0.068 0.000 1.524 357 H HN 0.431 nan 8.280 nan 0.000 0.607 358 E N 1.268 121.603 120.200 0.225 0.000 2.014 358 E HA 0.170 4.520 4.350 -0.000 0.000 0.275 358 E C -0.816 175.891 176.600 0.178 0.000 0.997 358 E CA -0.194 56.260 56.400 0.089 0.000 0.804 358 E CB 0.637 30.357 29.700 0.033 0.000 1.090 358 E HN 0.549 nan 8.360 nan 0.000 0.401 359 H N 1.496 120.586 119.070 0.033 0.000 2.974 359 H HA 0.281 4.837 4.556 -0.000 0.000 0.366 359 H C -1.617 173.734 175.328 0.038 0.000 1.155 359 H CA -0.721 55.347 56.048 0.034 0.000 1.186 359 H CB 1.684 31.470 29.762 0.039 0.000 1.799 359 H HN 0.425 nan 8.280 nan 0.000 0.541 360 H N 6.339 125.045 119.070 -0.607 0.000 3.108 360 H HA 0.152 4.708 4.556 -0.000 0.000 0.329 360 H C -2.279 172.620 175.328 -0.714 0.000 0.978 360 H CA -2.127 53.616 56.048 -0.509 0.000 1.413 360 H CB 2.362 31.946 29.762 -0.297 0.000 1.670 360 H HN 0.586 nan 8.280 nan 0.000 0.512 361 P HA -0.230 nan 4.420 nan 0.000 0.219 361 P C 1.358 178.476 177.300 -0.303 0.000 1.158 361 P CA 1.287 64.109 63.100 -0.464 0.000 0.895 361 P CB 0.674 32.139 31.700 -0.391 0.000 0.792 362 L N -1.702 119.455 121.223 -0.109 0.000 2.121 362 L HA -0.004 4.336 4.340 -0.000 0.000 0.200 362 L C 2.586 179.436 176.870 -0.034 0.000 1.077 362 L CA 1.108 55.928 54.840 -0.033 0.000 0.766 362 L CB -1.227 40.757 42.059 -0.126 0.000 0.931 362 L HN 0.028 nan 8.230 nan 0.000 0.452 363 H N -0.103 119.002 119.070 0.057 0.000 2.553 363 H HA 0.167 4.723 4.556 -0.000 0.000 0.269 363 H C 1.515 176.722 175.328 -0.202 0.000 1.011 363 H CA 0.093 55.996 56.048 -0.241 0.000 1.150 363 H CB -0.024 29.461 29.762 -0.462 0.000 1.339 363 H HN 0.489 nan 8.280 nan 0.000 0.604 364 G N 1.531 110.248 108.800 -0.138 0.000 2.595 364 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.297 364 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.297 364 G C 0.648 175.440 174.900 -0.178 0.000 1.181 364 G CA 0.493 45.465 45.100 -0.214 0.000 0.963 364 G HN 0.491 nan 8.290 nan 0.000 0.541 365 Q N 0.076 119.765 119.800 -0.184 0.000 2.157 365 Q HA 0.563 4.903 4.340 -0.000 0.000 0.229 365 Q C 0.412 176.316 176.000 -0.160 0.000 0.827 365 Q CA -0.327 55.354 55.803 -0.204 0.000 1.055 365 Q CB 1.466 29.994 28.738 -0.350 0.000 1.157 365 Q HN 0.418 nan 8.270 nan 0.000 0.482 366 V N 0.799 120.669 119.914 -0.073 0.000 3.170 366 V HA 0.397 4.517 4.120 -0.000 0.000 0.309 366 V C 0.344 176.430 176.094 -0.013 0.000 1.071 366 V CA -0.099 62.195 62.300 -0.010 0.000 1.063 366 V CB 1.372 33.169 31.823 -0.042 0.000 1.123 366 V HN 0.331 nan 8.190 nan 0.000 0.464 367 M N 1.370 120.956 119.600 -0.024 0.000 2.907 367 M HA 0.602 5.082 4.480 -0.000 0.000 0.282 367 M C -1.600 174.631 176.300 -0.114 0.000 1.259 367 M CA -0.588 54.671 55.300 -0.069 0.000 0.753 367 M CB 2.007 34.535 32.600 -0.122 0.000 1.744 367 M HN 1.012 nan 8.290 nan 0.000 0.434 368 D N -2.183 118.146 120.400 -0.118 0.000 2.783 368 D HA 0.148 4.788 4.640 -0.000 0.000 0.253 368 D C -0.138 176.152 176.300 -0.016 0.000 1.206 368 D CA -0.601 53.350 54.000 -0.083 0.000 0.740 368 D CB 1.151 41.937 40.800 -0.023 0.000 1.313 368 D HN 0.584 nan 8.370 nan 0.000 0.427 369 E N -0.303 119.909 120.200 0.019 0.000 2.019 369 E HA -0.330 4.020 4.350 -0.000 0.000 0.208 369 E C 1.446 178.114 176.600 0.112 0.000 1.030 369 E CA 1.888 58.339 56.400 0.086 0.000 0.856 369 E CB -0.080 29.681 29.700 0.102 0.000 0.781 369 E HN 0.496 nan 8.360 nan 0.000 0.471 370 Q N -0.344 119.517 119.800 0.102 0.000 2.028 370 Q HA -0.268 4.072 4.340 -0.000 0.000 0.215 370 Q C 2.294 178.369 176.000 0.125 0.000 1.041 370 Q CA 2.720 58.589 55.803 0.110 0.000 0.897 370 Q CB -1.168 27.631 28.738 0.102 0.000 1.017 370 Q HN 0.410 nan 8.270 nan 0.000 0.418 371 T N 1.521 116.153 114.554 0.129 0.000 2.516 371 T HA -0.253 4.097 4.350 -0.000 0.000 0.261 371 T C 1.990 176.787 174.700 0.162 0.000 1.130 371 T CA 1.951 64.138 62.100 0.145 0.000 1.193 371 T CB -0.547 68.411 68.868 0.150 0.000 0.864 371 T HN 0.258 nan 8.240 nan 0.000 0.410 372 M N 0.481 120.178 119.600 0.161 0.000 2.405 372 M HA -0.234 4.246 4.480 -0.000 0.000 0.256 372 M C 2.429 178.905 176.300 0.294 0.000 1.067 372 M CA 1.979 57.439 55.300 0.268 0.000 1.073 372 M CB -0.851 31.920 32.600 0.285 0.000 1.273 372 M HN 0.143 nan 8.290 nan 0.000 0.443 373 V N -0.342 119.703 119.914 0.219 0.000 2.332 373 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 373 V C 2.209 178.355 176.094 0.088 0.000 1.055 373 V CA 2.312 64.708 62.300 0.161 0.000 1.038 373 V CB -1.126 30.799 31.823 0.171 0.000 0.651 373 V HN 0.597 nan 8.190 nan 0.000 0.450 374 Q N 0.156 120.031 119.800 0.125 0.000 2.002 374 Q HA -0.292 4.048 4.340 -0.000 0.000 0.204 374 Q C 2.083 178.185 176.000 0.171 0.000 0.988 374 Q CA 2.274 58.153 55.803 0.126 0.000 0.843 374 Q CB -0.264 28.553 28.738 0.131 0.000 0.908 374 Q HN 0.577 nan 8.270 nan 0.000 0.420 375 D N 0.243 120.783 120.400 0.233 0.000 2.203 375 D HA -0.180 4.460 4.640 -0.000 0.000 0.199 375 D C 1.773 178.152 176.300 0.131 0.000 0.997 375 D CA 1.086 55.277 54.000 0.318 0.000 0.863 375 D CB -0.137 40.857 40.800 0.322 0.000 0.928 375 D HN 0.345 nan 8.370 nan 0.000 0.458 376 I N -0.086 120.534 120.570 0.084 0.000 2.141 376 I HA -0.234 3.936 4.170 -0.000 0.000 0.236 376 I C 2.198 178.261 176.117 -0.091 0.000 1.071 376 I CA 0.618 61.876 61.300 -0.070 0.000 1.345 376 I CB -0.148 37.773 38.000 -0.133 0.000 1.066 376 I HN -0.054 nan 8.210 nan 0.000 0.406 377 L N 0.033 121.210 121.223 -0.077 0.000 2.137 377 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 377 L C 2.391 179.359 176.870 0.164 0.000 1.085 377 L CA 1.267 56.132 54.840 0.042 0.000 0.760 377 L CB -0.859 41.221 42.059 0.034 0.000 0.893 377 L HN 0.273 nan 8.230 nan 0.000 0.434 378 L N -0.966 120.373 121.223 0.193 0.000 1.948 378 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 378 L C 2.731 179.776 176.870 0.292 0.000 1.074 378 L CA 1.834 56.872 54.840 0.331 0.000 0.753 378 L CB -0.409 42.013 42.059 0.606 0.000 0.888 378 L HN 0.288 nan 8.230 nan 0.000 0.432 379 M N -0.516 119.085 119.600 0.002 0.000 2.204 379 M HA -0.350 4.130 4.480 -0.000 0.000 0.255 379 M C 2.293 178.652 176.300 0.098 0.000 1.073 379 M CA 1.980 57.168 55.300 -0.188 0.000 1.084 379 M CB -0.690 31.597 32.600 -0.522 0.000 1.289 379 M HN 0.166 nan 8.290 nan 0.000 0.419 380 K N 0.147 120.527 120.400 -0.032 0.000 2.034 380 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 380 K C 1.945 178.536 176.600 -0.015 0.000 1.051 380 K CA 2.009 58.176 56.287 -0.199 0.000 0.931 380 K CB -0.460 31.803 32.500 -0.395 0.000 0.715 380 K HN 0.562 nan 8.250 nan 0.000 0.446 381 Q N 0.081 120.080 119.800 0.332 0.000 2.226 381 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 381 Q C 1.070 177.389 176.000 0.531 0.000 0.975 381 Q CA 0.670 56.802 55.803 0.548 0.000 0.866 381 Q CB 0.027 29.066 28.738 0.502 0.000 0.915 381 Q HN 0.277 nan 8.270 nan 0.000 0.440 382 N N 0.891 119.847 118.700 0.427 0.000 2.322 382 N HA 0.015 4.755 4.740 -0.000 0.000 0.216 382 N C -0.551 175.119 175.510 0.266 0.000 1.144 382 N CA 0.051 53.359 53.050 0.431 0.000 0.830 382 N CB 0.429 39.261 38.487 0.574 0.000 1.034 382 N HN 0.167 nan 8.380 nan 0.000 0.484 383 N N 0.030 118.831 118.700 0.169 0.000 2.714 383 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 383 N C -0.773 174.629 175.510 -0.181 0.000 1.117 383 N CA 0.784 53.809 53.050 -0.042 0.000 0.719 383 N CB -1.815 36.478 38.487 -0.322 0.000 1.081 383 N HN 0.254 nan 8.380 nan 0.000 0.557 384 F N 0.535 120.476 119.950 -0.016 0.000 2.389 384 F HA 0.225 4.752 4.527 -0.000 0.000 0.337 384 F C 1.934 177.725 175.800 -0.016 0.000 1.112 384 F CA -0.154 57.841 58.000 -0.009 0.000 1.192 384 F CB 0.637 39.614 39.000 -0.039 0.000 1.185 384 F HN -0.048 nan 8.300 nan 0.000 0.552 385 N N 0.447 119.269 118.700 0.202 0.000 2.499 385 N HA 0.411 5.151 4.740 -0.000 0.000 0.182 385 N C -0.468 175.091 175.510 0.082 0.000 1.034 385 N CA 0.221 53.345 53.050 0.122 0.000 0.882 385 N CB 0.401 39.021 38.487 0.221 0.000 1.125 385 N HN 0.622 nan 8.380 nan 0.000 0.436 386 A N -0.051 122.929 122.820 0.268 0.000 2.564 386 A HA 0.612 4.932 4.320 -0.000 0.000 0.291 386 A C -1.837 176.019 177.584 0.454 0.000 1.102 386 A CA -0.445 51.793 52.037 0.336 0.000 0.660 386 A CB 1.339 20.679 19.000 0.567 0.000 1.283 386 A HN -0.047 nan 8.150 nan 0.000 0.430 387 V N -0.117 119.995 119.914 0.331 0.000 3.078 387 V HA 0.885 5.005 4.120 -0.000 0.000 0.311 387 V C -0.760 175.267 176.094 -0.112 0.000 1.138 387 V CA -0.728 61.679 62.300 0.178 0.000 1.007 387 V CB 2.002 33.918 31.823 0.156 0.000 1.045 387 V HN 1.269 nan 8.190 nan 0.000 0.432 388 R N 3.489 123.789 120.500 -0.334 0.000 2.562 388 R HA 0.548 4.888 4.340 -0.000 0.000 0.298 388 R C -1.022 175.183 176.300 -0.157 0.000 0.961 388 R CA -0.469 55.388 56.100 -0.405 0.000 0.881 388 R CB 1.450 31.316 30.300 -0.724 0.000 1.159 388 R HN 0.826 nan 8.270 nan 0.000 0.450 389 C N 4.038 123.284 119.300 -0.091 0.000 2.861 389 C HA 0.170 4.630 4.460 -0.000 0.000 0.542 389 C C 0.523 175.333 174.990 -0.300 0.000 1.074 389 C CA -0.640 58.291 59.018 -0.146 0.000 1.232 389 C CB -1.921 25.826 27.740 0.011 0.000 1.433 389 C HN 0.711 nan 8.230 nan 0.000 0.606 390 S N 1.200 116.686 115.700 -0.357 0.000 2.466 390 S HA 0.146 4.616 4.470 -0.000 0.000 0.286 390 S C -0.186 173.562 174.600 -1.421 0.000 1.221 390 S CA 0.251 58.154 58.200 -0.494 0.000 1.091 390 S CB 0.002 62.936 63.200 -0.443 0.000 0.956 390 S HN 0.709 nan 8.310 nan 0.000 0.501 391 H N 3.771 122.139 119.070 -1.171 0.000 2.439 391 H HA 0.355 4.911 4.556 -0.000 0.000 0.228 391 H C -1.008 174.164 175.328 -0.260 0.000 1.423 391 H CA -0.521 55.261 56.048 -0.444 0.000 1.386 391 H CB -0.273 29.423 29.762 -0.110 0.000 1.641 391 H HN 0.866 nan 8.280 nan 0.000 0.508 392 Y N -2.655 117.718 120.300 0.122 0.000 2.717 392 Y HA 0.424 4.974 4.550 -0.000 0.000 0.345 392 Y C -3.346 172.641 175.900 0.145 0.000 1.187 392 Y CA -3.177 55.002 58.100 0.130 0.000 1.128 392 Y CB 0.006 38.531 38.460 0.107 0.000 1.360 392 Y HN -0.090 nan 8.280 nan 0.000 0.467 393 P HA 0.137 nan 4.420 nan 0.000 0.266 393 P C -0.626 176.956 177.300 0.470 0.000 1.195 393 P CA 0.264 63.618 63.100 0.422 0.000 0.768 393 P CB 0.657 32.544 31.700 0.312 0.000 0.838 394 N N 0.294 119.290 118.700 0.493 0.000 2.478 394 N HA 0.093 4.833 4.740 -0.000 0.000 0.275 394 N C 0.025 175.755 175.510 0.366 0.000 1.221 394 N CA -0.601 52.625 53.050 0.294 0.000 0.979 394 N CB 0.436 38.880 38.487 -0.072 0.000 1.202 394 N HN 0.592 nan 8.380 nan 0.000 0.564 395 H N 2.399 121.565 119.070 0.160 0.000 3.138 395 H HA 0.028 4.584 4.556 -0.000 0.000 0.275 395 H C -1.706 173.791 175.328 0.282 0.000 0.997 395 H CA -1.007 55.159 56.048 0.197 0.000 1.460 395 H CB 0.690 30.532 29.762 0.133 0.000 1.524 395 H HN 0.428 nan 8.280 nan 0.000 0.532 396 P HA -0.343 nan 4.420 nan 0.000 0.232 396 P C 1.813 179.335 177.300 0.369 0.000 1.135 396 P CA 1.346 64.557 63.100 0.185 0.000 0.969 396 P CB 0.084 31.704 31.700 -0.133 0.000 0.777 397 L N -1.544 119.981 121.223 0.504 0.000 2.187 397 L HA -0.105 4.234 4.340 -0.000 0.000 0.213 397 L C 2.393 179.493 176.870 0.383 0.000 1.100 397 L CA 1.480 56.620 54.840 0.500 0.000 0.765 397 L CB -1.465 40.925 42.059 0.551 0.000 0.904 397 L HN 0.138 nan 8.230 nan 0.000 0.437 398 W N -0.371 121.016 121.300 0.145 0.000 2.304 398 W HA -0.386 4.274 4.660 -0.000 0.000 0.315 398 W C 2.179 178.571 176.519 -0.212 0.000 1.233 398 W CA 2.074 59.344 57.345 -0.124 0.000 1.261 398 W CB -0.386 28.859 29.460 -0.358 0.000 1.150 398 W HN 0.296 nan 8.180 nan 0.000 0.494 399 Y N 0.511 120.746 120.300 -0.107 0.000 2.181 399 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 399 Y C 2.829 178.460 175.900 -0.448 0.000 1.146 399 Y CA 2.123 59.904 58.100 -0.532 0.000 1.164 399 Y CB -1.438 36.365 38.460 -1.095 0.000 0.982 399 Y HN -0.215 nan 8.280 nan 0.000 0.515 400 T N 0.765 115.287 114.554 -0.053 0.000 2.867 400 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 400 T C 2.009 176.700 174.700 -0.014 0.000 1.057 400 T CA 1.012 63.149 62.100 0.062 0.000 1.136 400 T CB -0.463 68.500 68.868 0.157 0.000 0.874 400 T HN 0.218 nan 8.240 nan 0.000 0.466 401 L N 0.624 121.812 121.223 -0.059 0.000 1.961 401 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 401 L C 2.947 179.746 176.870 -0.117 0.000 1.072 401 L CA 1.388 56.188 54.840 -0.066 0.000 0.749 401 L CB -0.729 41.327 42.059 -0.006 0.000 0.889 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.452 118.648 119.300 -0.332 0.000 2.413 402 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 402 C C 2.384 177.391 174.990 0.028 0.000 1.236 402 C CA 0.188 59.065 59.018 -0.234 0.000 1.735 402 C CB -1.097 26.415 27.740 -0.380 0.000 2.031 402 C HN 0.562 nan 8.230 nan 0.000 0.474 403 D N 0.605 121.030 120.400 0.042 0.000 2.127 403 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 403 D C 2.316 178.775 176.300 0.265 0.000 1.000 403 D CA 1.621 55.733 54.000 0.187 0.000 0.839 403 D CB -0.425 40.428 40.800 0.088 0.000 0.955 403 D HN 0.470 nan 8.370 nan 0.000 0.446 404 R N -0.885 119.646 120.500 0.053 0.000 2.075 404 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 404 R C 2.423 178.631 176.300 -0.153 0.000 1.126 404 R CA 0.958 57.011 56.100 -0.077 0.000 0.963 404 R CB -0.351 29.791 30.300 -0.263 0.000 0.858 404 R HN 0.282 nan 8.270 nan 0.000 0.435 405 Y N -1.236 119.079 120.300 0.024 0.000 2.286 405 Y HA 0.211 4.761 4.550 -0.000 0.000 0.293 405 Y C 1.084 176.917 175.900 -0.111 0.000 1.124 405 Y CA 1.086 59.174 58.100 -0.020 0.000 1.178 405 Y CB 0.266 38.700 38.460 -0.043 0.000 1.010 405 Y HN 0.234 nan 8.280 nan 0.000 0.536 406 G N 0.400 109.201 108.800 0.001 0.000 2.602 406 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.291 406 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.291 406 G C -1.231 173.465 174.900 -0.340 0.000 0.988 406 G CA -0.673 44.275 45.100 -0.253 0.000 1.295 406 G HN 0.140 nan 8.290 nan 0.000 0.630 407 L N 1.499 122.581 121.223 -0.236 0.000 2.528 407 L HA 0.372 4.712 4.340 -0.000 0.000 0.267 407 L C -0.234 176.576 176.870 -0.099 0.000 0.961 407 L CA -1.308 53.371 54.840 -0.269 0.000 0.866 407 L CB 1.530 43.465 42.059 -0.207 0.000 1.248 407 L HN 0.353 nan 8.230 nan 0.000 0.404 408 Y N 2.825 123.217 120.300 0.153 0.000 2.721 408 Y HA 0.126 4.676 4.550 -0.000 0.000 0.329 408 Y C 0.472 176.467 175.900 0.158 0.000 1.211 408 Y CA -0.183 58.041 58.100 0.208 0.000 1.512 408 Y CB -0.028 38.556 38.460 0.206 0.000 1.249 408 Y HN 0.145 nan 8.280 nan 0.000 0.549 409 V N 4.243 124.312 119.914 0.257 0.000 2.667 409 V HA 0.476 4.596 4.120 -0.000 0.000 0.308 409 V C -0.396 175.751 176.094 0.088 0.000 1.048 409 V CA -1.075 61.309 62.300 0.140 0.000 0.928 409 V CB 2.143 34.029 31.823 0.105 0.000 1.004 409 V HN 0.458 nan 8.190 nan 0.000 0.444 410 V N 2.952 122.884 119.914 0.030 0.000 2.325 410 V HA 0.308 4.428 4.120 -0.000 0.000 0.280 410 V C -0.308 175.811 176.094 0.043 0.000 1.016 410 V CA -0.514 61.774 62.300 -0.021 0.000 0.818 410 V CB 1.367 33.114 31.823 -0.128 0.000 1.019 410 V HN 0.893 nan 8.190 nan 0.000 0.434 411 D N 3.952 124.394 120.400 0.070 0.000 2.382 411 D HA 0.238 4.878 4.640 -0.000 0.000 0.245 411 D C -0.098 176.354 176.300 0.254 0.000 1.120 411 D CA 0.335 54.476 54.000 0.236 0.000 0.890 411 D CB 1.279 42.253 40.800 0.290 0.000 1.201 411 D HN 0.711 nan 8.370 nan 0.000 0.433 412 E N 1.193 121.543 120.200 0.251 0.000 2.314 412 E HA 0.591 4.941 4.350 -0.000 0.000 0.272 412 E C -1.456 175.277 176.600 0.222 0.000 0.884 412 E CA -1.044 55.485 56.400 0.215 0.000 0.753 412 E CB 1.523 31.304 29.700 0.136 0.000 1.213 412 E HN 0.389 nan 8.360 nan 0.000 0.432 413 A N 3.205 126.147 122.820 0.204 0.000 2.371 413 A HA 0.151 4.471 4.320 -0.000 0.000 0.257 413 A C 0.466 178.167 177.584 0.195 0.000 1.089 413 A CA -0.416 51.728 52.037 0.179 0.000 0.794 413 A CB 0.314 19.386 19.000 0.121 0.000 1.029 413 A HN 0.688 nan 8.150 nan 0.000 0.488 414 N N 1.163 119.984 118.700 0.203 0.000 3.085 414 N HA 0.065 4.805 4.740 -0.000 0.000 0.313 414 N C -0.799 174.824 175.510 0.190 0.000 1.277 414 N CA 0.415 53.605 53.050 0.233 0.000 1.150 414 N CB -0.968 37.643 38.487 0.206 0.000 1.437 414 N HN 0.516 nan 8.380 nan 0.000 0.558 415 I N -0.126 120.551 120.570 0.178 0.000 2.512 415 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 415 I C -0.456 175.748 176.117 0.145 0.000 1.069 415 I CA -0.785 60.605 61.300 0.149 0.000 1.056 415 I CB 2.056 40.119 38.000 0.105 0.000 1.229 415 I HN 0.018 nan 8.210 nan 0.000 0.429 416 E N 3.761 124.044 120.200 0.139 0.000 2.307 416 E HA 0.353 4.703 4.350 -0.000 0.000 0.280 416 E C -0.407 176.254 176.600 0.102 0.000 0.900 416 E CA -0.442 56.017 56.400 0.098 0.000 0.790 416 E CB 1.795 31.552 29.700 0.094 0.000 1.261 416 E HN 0.730 nan 8.360 nan 0.000 0.405 417 T N 0.359 114.956 114.554 0.072 0.000 3.132 417 T HA 0.126 4.476 4.350 -0.000 0.000 0.274 417 T C 1.188 175.924 174.700 0.060 0.000 1.011 417 T CA 0.110 62.283 62.100 0.121 0.000 0.899 417 T CB -0.332 68.585 68.868 0.081 0.000 1.089 417 T HN 0.680 nan 8.240 nan 0.000 0.543 418 H N 1.821 120.813 119.070 -0.131 0.000 2.266 418 H HA -0.277 4.279 4.556 -0.000 0.000 0.274 418 H C 2.426 177.602 175.328 -0.254 0.000 1.140 418 H CA 1.714 57.636 56.048 -0.209 0.000 1.186 418 H CB -0.619 28.987 29.762 -0.261 0.000 1.412 418 H HN 0.545 nan 8.280 nan 0.000 0.513 419 G N 0.692 109.272 108.800 -0.367 0.000 2.537 419 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 419 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 419 G C 0.611 175.576 174.900 0.108 0.000 1.111 419 G CA 0.699 45.547 45.100 -0.420 0.000 0.748 419 G HN 0.189 nan 8.290 nan 0.000 0.564 420 M N -0.415 119.314 119.600 0.215 0.000 2.114 420 M HA 0.462 4.942 4.480 -0.000 0.000 0.293 420 M C -0.440 175.903 176.300 0.071 0.000 1.201 420 M CA -0.348 55.065 55.300 0.188 0.000 1.107 420 M CB 1.318 33.996 32.600 0.129 0.000 1.405 420 M HN -0.197 nan 8.290 nan 0.000 0.486 421 V N 1.872 121.811 119.914 0.042 0.000 2.577 421 V HA 0.301 4.421 4.120 -0.000 0.000 0.294 421 V C -2.224 173.874 176.094 0.005 0.000 1.052 421 V CA -1.262 61.047 62.300 0.015 0.000 0.891 421 V CB 2.111 33.940 31.823 0.009 0.000 1.017 421 V HN 0.678 nan 8.190 nan 0.000 0.436 422 P HA 0.238 nan 4.420 nan 0.000 0.274 422 P C 1.083 178.389 177.300 0.010 0.000 1.260 422 P CA -0.393 62.710 63.100 0.005 0.000 0.793 422 P CB 0.594 32.299 31.700 0.008 0.000 1.048 423 M N 0.485 120.094 119.600 0.014 0.000 2.346 423 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 423 M C 1.716 178.032 176.300 0.028 0.000 1.064 423 M CA 1.720 57.034 55.300 0.023 0.000 1.083 423 M CB -0.436 32.168 32.600 0.007 0.000 1.399 423 M HN 0.328 nan 8.290 nan 0.000 0.435 424 N N 0.165 118.881 118.700 0.028 0.000 2.043 424 N HA -0.270 4.470 4.740 -0.000 0.000 0.193 424 N C 1.634 177.129 175.510 -0.025 0.000 1.037 424 N CA 1.578 54.645 53.050 0.029 0.000 0.851 424 N CB -0.032 38.470 38.487 0.026 0.000 1.027 424 N HN 0.304 nan 8.380 nan 0.000 0.422 425 R N 0.185 120.661 120.500 -0.040 0.000 2.365 425 R HA -0.260 4.080 4.340 -0.000 0.000 0.230 425 R C 2.001 178.199 176.300 -0.170 0.000 1.047 425 R CA 2.442 58.492 56.100 -0.083 0.000 0.825 425 R CB -0.666 29.590 30.300 -0.073 0.000 0.972 425 R HN 0.329 nan 8.270 nan 0.000 0.396 426 L N -1.330 119.732 121.223 -0.267 0.000 2.249 426 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 426 L C 2.409 179.114 176.870 -0.274 0.000 1.090 426 L CA 1.181 55.739 54.840 -0.470 0.000 0.802 426 L CB -0.412 41.062 42.059 -0.974 0.000 0.947 426 L HN 0.464 nan 8.230 nan 0.000 0.453 427 T N -4.002 110.439 114.554 -0.188 0.000 2.962 427 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 427 T C 1.112 175.696 174.700 -0.193 0.000 1.088 427 T CA 1.003 62.965 62.100 -0.228 0.000 1.127 427 T CB -0.282 68.424 68.868 -0.271 0.000 0.883 427 T HN 0.081 nan 8.240 nan 0.000 0.493 428 D N 2.003 122.337 120.400 -0.110 0.000 2.587 428 D HA 0.153 4.793 4.640 -0.000 0.000 0.233 428 D C -0.651 175.625 176.300 -0.041 0.000 1.213 428 D CA -0.334 53.619 54.000 -0.078 0.000 0.827 428 D CB -0.139 40.637 40.800 -0.041 0.000 1.006 428 D HN 0.443 nan 8.370 nan 0.000 0.490 429 D N -0.362 120.023 120.400 -0.024 0.000 2.686 429 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 429 D C -1.963 174.384 176.300 0.078 0.000 1.260 429 D CA -1.915 52.111 54.000 0.044 0.000 0.910 429 D CB 2.500 43.350 40.800 0.084 0.000 1.323 429 D HN -0.148 nan 8.370 nan 0.000 0.561 430 P HA -0.219 nan 4.420 nan 0.000 0.217 430 P C 1.084 178.385 177.300 0.000 0.000 1.158 430 P CA 1.510 64.613 63.100 0.004 0.000 0.887 430 P CB 0.095 31.791 31.700 -0.006 0.000 0.792 431 R N -2.047 118.456 120.500 0.005 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.818 177.988 176.300 -0.218 0.000 1.144 431 R CA 1.453 57.492 56.100 -0.102 0.000 0.992 431 R CB -0.923 29.310 30.300 -0.113 0.000 0.869 431 R HN 0.356 nan 8.270 nan 0.000 0.462 432 W N -0.430 120.805 121.300 -0.108 0.000 3.177 432 W HA 0.188 4.848 4.660 -0.000 0.000 0.309 432 W C 1.511 177.959 176.519 -0.118 0.000 1.224 432 W CA -0.604 56.673 57.345 -0.113 0.000 1.718 432 W CB 0.046 29.437 29.460 -0.116 0.000 1.078 432 W HN -0.028 nan 8.180 nan 0.000 0.618 433 L N 2.687 123.936 121.223 0.044 0.000 2.043 433 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 433 L C -0.648 176.180 176.870 -0.070 0.000 1.075 433 L CA 2.312 57.132 54.840 -0.032 0.000 0.752 433 L CB -1.946 40.085 42.059 -0.047 0.000 0.891 433 L HN -0.131 nan 8.230 nan 0.000 0.432 434 P HA -0.073 nan 4.420 nan 0.000 0.216 434 P C 1.687 178.923 177.300 -0.107 0.000 1.153 434 P CA 1.952 64.985 63.100 -0.112 0.000 0.844 434 P CB -0.184 31.440 31.700 -0.125 0.000 0.787 435 A N 0.623 123.396 122.820 -0.078 0.000 1.859 435 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 435 A C 2.238 179.816 177.584 -0.010 0.000 1.198 435 A CA 2.942 54.962 52.037 -0.029 0.000 0.629 435 A CB -1.690 17.345 19.000 0.058 0.000 0.830 435 A HN 0.158 nan 8.150 nan 0.000 0.446 436 M N 0.422 120.026 119.600 0.007 0.000 2.213 436 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 436 M C 2.330 178.565 176.300 -0.109 0.000 1.062 436 M CA 1.694 56.972 55.300 -0.036 0.000 1.105 436 M CB -0.850 31.710 32.600 -0.066 0.000 1.385 436 M HN 0.571 nan 8.290 nan 0.000 0.417 437 S N 1.147 116.761 115.700 -0.144 0.000 2.368 437 S HA -0.245 4.225 4.470 -0.000 0.000 0.226 437 S C 1.888 176.321 174.600 -0.279 0.000 1.044 437 S CA 1.863 59.921 58.200 -0.237 0.000 1.062 437 S CB -0.558 62.507 63.200 -0.225 0.000 0.931 437 S HN 0.540 nan 8.310 nan 0.000 0.440 438 E N 0.987 121.066 120.200 -0.202 0.000 2.058 438 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 438 E C 2.490 178.994 176.600 -0.161 0.000 0.997 438 E CA 1.295 57.584 56.400 -0.185 0.000 0.801 438 E CB -0.286 29.335 29.700 -0.131 0.000 0.746 438 E HN 0.601 nan 8.360 nan 0.000 0.450 439 R N 0.136 120.574 120.500 -0.104 0.000 2.103 439 R HA -0.163 4.177 4.340 -0.000 0.000 0.242 439 R C 2.442 178.694 176.300 -0.080 0.000 1.142 439 R CA 1.552 57.621 56.100 -0.052 0.000 0.960 439 R CB -0.258 30.045 30.300 0.006 0.000 0.858 439 R HN 0.064 nan 8.270 nan 0.000 0.439 440 V N 0.170 119.991 119.914 -0.155 0.000 2.379 440 V HA -0.193 3.927 4.120 -0.000 0.000 0.243 440 V C 2.444 178.363 176.094 -0.292 0.000 1.035 440 V CA 2.085 64.276 62.300 -0.181 0.000 1.035 440 V CB -0.803 30.910 31.823 -0.183 0.000 0.673 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.162 114.094 114.554 -0.496 0.000 2.652 441 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 441 T C 1.973 176.495 174.700 -0.296 0.000 1.039 441 T CA 1.591 63.309 62.100 -0.636 0.000 1.153 441 T CB -0.538 67.868 68.868 -0.770 0.000 0.863 441 T HN 0.366 nan 8.240 nan 0.000 0.428 442 R N 0.587 120.950 120.500 -0.228 0.000 2.119 442 R HA -0.095 4.245 4.340 -0.000 0.000 0.246 442 R C 2.671 178.898 176.300 -0.122 0.000 1.146 442 R CA 1.876 57.891 56.100 -0.142 0.000 0.962 442 R CB -0.648 29.585 30.300 -0.112 0.000 0.863 442 R HN 0.510 nan 8.270 nan 0.000 0.442 443 M N 0.789 120.323 119.600 -0.109 0.000 2.064 443 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 443 M C 2.156 178.381 176.300 -0.125 0.000 1.073 443 M CA 1.728 56.992 55.300 -0.059 0.000 1.124 443 M CB -0.040 32.568 32.600 0.014 0.000 1.326 443 M HN -0.033 nan 8.290 nan 0.000 0.410 444 V N 0.900 120.651 119.914 -0.272 0.000 2.324 444 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 444 V C 2.254 178.171 176.094 -0.295 0.000 1.060 444 V CA 2.278 64.265 62.300 -0.522 0.000 1.042 444 V CB -1.124 30.405 31.823 -0.490 0.000 0.650 444 V HN 0.600 nan 8.190 nan 0.000 0.450 445 Q N -0.792 118.903 119.800 -0.175 0.000 2.167 445 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 445 Q C 2.523 178.405 176.000 -0.196 0.000 0.970 445 Q CA 1.573 57.283 55.803 -0.155 0.000 0.855 445 Q CB -0.191 28.500 28.738 -0.077 0.000 0.911 445 Q HN 0.555 nan 8.270 nan 0.000 0.438 446 R N 0.252 120.644 120.500 -0.180 0.000 2.073 446 R HA -0.125 4.215 4.340 -0.000 0.000 0.229 446 R C 0.843 177.021 176.300 -0.204 0.000 1.120 446 R CA 1.640 57.614 56.100 -0.211 0.000 0.967 446 R CB 0.205 30.399 30.300 -0.176 0.000 0.862 446 R HN 0.245 nan 8.270 nan 0.000 0.436 447 D N 0.136 120.469 120.400 -0.111 0.000 2.301 447 D HA -0.075 4.565 4.640 -0.000 0.000 0.206 447 D C 1.683 178.007 176.300 0.039 0.000 0.979 447 D CA 0.554 54.536 54.000 -0.029 0.000 0.874 447 D CB -0.108 40.696 40.800 0.007 0.000 0.968 447 D HN 0.316 nan 8.370 nan 0.000 0.510 448 R N 1.478 122.050 120.500 0.120 0.000 2.343 448 R HA -0.175 4.165 4.340 -0.000 0.000 0.264 448 R C 0.979 177.219 176.300 -0.100 0.000 1.212 448 R CA 1.441 57.612 56.100 0.120 0.000 1.037 448 R CB -0.516 29.737 30.300 -0.079 0.000 0.874 448 R HN 0.088 nan 8.270 nan 0.000 0.489 449 N N -0.215 118.322 118.700 -0.271 0.000 2.325 449 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 449 N C -0.391 174.942 175.510 -0.295 0.000 1.088 449 N CA 0.169 53.027 53.050 -0.320 0.000 0.879 449 N CB 0.086 38.325 38.487 -0.413 0.000 0.983 449 N HN 0.355 nan 8.380 nan 0.000 0.471 450 H N 1.629 120.603 119.070 -0.159 0.000 2.848 450 H HA 0.083 4.639 4.556 -0.000 0.000 0.317 450 H C -1.238 173.925 175.328 -0.275 0.000 1.046 450 H CA -0.955 54.988 56.048 -0.175 0.000 1.470 450 H CB 1.291 30.991 29.762 -0.103 0.000 1.483 450 H HN 0.050 nan 8.280 nan 0.000 0.548 451 P HA -0.145 nan 4.420 nan 0.000 0.219 451 P C 1.564 178.463 177.300 -0.668 0.000 1.150 451 P CA 1.274 64.014 63.100 -0.600 0.000 0.814 451 P CB 0.165 31.233 31.700 -1.053 0.000 0.787 452 S N -0.701 114.677 115.700 -0.537 0.000 2.402 452 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 452 S C 1.059 175.671 174.600 0.020 0.000 1.030 452 S CA 0.761 58.894 58.200 -0.111 0.000 1.003 452 S CB -1.762 61.471 63.200 0.056 0.000 0.813 452 S HN -0.039 nan 8.310 nan 0.000 0.477 453 V N 3.434 123.312 119.914 -0.060 0.000 2.455 453 V HA 0.308 4.428 4.120 -0.000 0.000 0.273 453 V C 1.098 177.068 176.094 -0.207 0.000 1.045 453 V CA 0.027 62.252 62.300 -0.124 0.000 0.976 453 V CB 0.625 32.301 31.823 -0.245 0.000 0.993 453 V HN 0.633 nan 8.190 nan 0.000 0.475 454 I N 2.265 122.741 120.570 -0.157 0.000 4.456 454 I HA 0.505 4.675 4.170 -0.000 0.000 0.329 454 I C 0.335 176.318 176.117 -0.224 0.000 1.313 454 I CA 0.430 61.647 61.300 -0.139 0.000 1.205 454 I CB 0.581 38.583 38.000 0.002 0.000 1.179 454 I HN 0.325 nan 8.210 nan 0.000 0.419 455 I N 0.180 120.577 120.570 -0.289 0.000 2.894 455 I HA 0.387 4.557 4.170 -0.000 0.000 0.302 455 I C -1.745 174.149 176.117 -0.372 0.000 1.188 455 I CA -0.536 60.614 61.300 -0.252 0.000 1.014 455 I CB 2.333 40.305 38.000 -0.047 0.000 1.242 455 I HN 0.012 nan 8.210 nan 0.000 0.430 456 W N 2.720 124.080 121.300 0.101 0.000 2.632 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.328 456 W C 0.079 176.672 176.519 0.123 0.000 1.044 456 W CA -0.816 56.594 57.345 0.108 0.000 1.225 456 W CB 1.733 31.258 29.460 0.109 0.000 1.396 456 W HN 0.305 nan 8.180 nan 0.000 0.499 457 S N 2.752 118.655 115.700 0.340 0.000 2.513 457 S HA 0.472 4.942 4.470 -0.000 0.000 0.299 457 S C 0.154 174.915 174.600 0.269 0.000 1.087 457 S CA -0.708 57.651 58.200 0.266 0.000 1.012 457 S CB 0.915 64.220 63.200 0.175 0.000 1.044 457 S HN 0.603 nan 8.310 nan 0.000 0.485 458 L N 3.768 125.144 121.223 0.254 0.000 2.599 458 L HA 0.395 4.735 4.340 -0.000 0.000 0.230 458 L C 1.418 178.373 176.870 0.141 0.000 1.141 458 L CA 0.419 55.348 54.840 0.149 0.000 0.877 458 L CB -1.040 41.029 42.059 0.016 0.000 1.009 458 L HN 0.974 nan 8.230 nan 0.000 0.447 459 G N -0.215 108.730 108.800 0.241 0.000 2.366 459 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.190 459 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.190 459 G C -1.793 173.202 174.900 0.159 0.000 1.299 459 G CA -0.571 44.655 45.100 0.210 0.000 1.056 459 G HN 0.124 nan 8.290 nan 0.000 0.468 460 N N 0.352 119.124 118.700 0.121 0.000 2.647 460 N HA 0.409 5.149 4.740 -0.000 0.000 0.259 460 N C -0.764 174.665 175.510 -0.136 0.000 1.098 460 N CA 0.090 53.057 53.050 -0.137 0.000 0.984 460 N CB 1.440 39.593 38.487 -0.556 0.000 1.683 460 N HN 0.845 nan 8.380 nan 0.000 0.501 461 E N 0.707 120.731 120.200 -0.293 0.000 2.106 461 E HA -0.208 4.142 4.350 -0.000 0.000 0.175 461 E C -0.709 175.778 176.600 -0.188 0.000 1.448 461 E CA 0.786 56.948 56.400 -0.396 0.000 0.672 461 E CB -1.495 27.667 29.700 -0.897 0.000 1.057 461 E HN 0.411 nan 8.360 nan 0.000 0.321 462 S N -0.020 115.707 115.700 0.046 0.000 2.749 462 S HA 0.418 4.888 4.470 -0.000 0.000 0.246 462 S C 0.786 175.514 174.600 0.212 0.000 1.023 462 S CA -0.087 58.209 58.200 0.160 0.000 1.012 462 S CB 1.420 64.793 63.200 0.289 0.000 0.942 462 S HN 0.918 nan 8.310 nan 0.000 0.531 463 G N 1.920 110.792 108.800 0.120 0.000 2.593 463 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.237 463 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.237 463 G C -0.659 174.385 174.900 0.240 0.000 1.312 463 G CA -0.356 44.819 45.100 0.126 0.000 0.896 463 G HN 0.551 nan 8.290 nan 0.000 0.574 464 H N 0.876 120.036 119.070 0.149 0.000 2.800 464 H HA 0.602 5.158 4.556 -0.000 0.000 0.322 464 H C 0.292 175.797 175.328 0.296 0.000 0.979 464 H CA 0.338 56.493 56.048 0.177 0.000 1.277 464 H CB 0.628 30.453 29.762 0.105 0.000 1.484 464 H HN 1.164 nan 8.280 nan 0.000 0.512 465 G N 1.613 110.485 108.800 0.119 0.000 2.537 465 G HA2 0.461 4.421 3.960 -0.000 0.000 0.308 465 G HA3 0.461 4.421 3.960 -0.000 0.000 0.308 465 G C 0.658 175.350 174.900 -0.347 0.000 1.237 465 G CA -0.168 44.822 45.100 -0.183 0.000 0.968 465 G HN 0.659 nan 8.290 nan 0.000 0.481 466 A N 0.622 123.321 122.820 -0.202 0.000 1.986 466 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 466 A C 2.140 179.655 177.584 -0.114 0.000 1.171 466 A CA 2.071 54.044 52.037 -0.106 0.000 0.640 466 A CB -0.441 18.529 19.000 -0.050 0.000 0.811 466 A HN 0.561 nan 8.150 nan 0.000 0.451 467 N N -0.380 118.194 118.700 -0.209 0.000 2.244 467 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 467 N C 1.370 176.728 175.510 -0.254 0.000 1.016 467 N CA 1.687 54.598 53.050 -0.232 0.000 0.866 467 N CB -0.727 37.614 38.487 -0.242 0.000 0.980 467 N HN 0.788 nan 8.380 nan 0.000 0.430 468 H N 0.636 119.593 119.070 -0.188 0.000 2.293 468 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 468 H C 1.375 176.696 175.328 -0.013 0.000 1.082 468 H CA 1.461 57.393 56.048 -0.194 0.000 1.308 468 H CB 0.046 29.617 29.762 -0.318 0.000 1.375 468 H HN 0.142 nan 8.280 nan 0.000 0.495 469 D N 0.524 121.019 120.400 0.159 0.000 2.108 469 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 469 D C 2.391 178.812 176.300 0.202 0.000 0.995 469 D CA 1.429 55.568 54.000 0.232 0.000 0.834 469 D CB -0.718 40.192 40.800 0.184 0.000 0.967 469 D HN 0.418 nan 8.370 nan 0.000 0.446 470 A N 0.613 123.494 122.820 0.101 0.000 1.915 470 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 470 A C 2.452 180.105 177.584 0.115 0.000 1.198 470 A CA 1.670 53.758 52.037 0.084 0.000 0.647 470 A CB -0.968 18.045 19.000 0.022 0.000 0.825 470 A HN 0.270 nan 8.150 nan 0.000 0.456 471 L N -2.303 118.975 121.223 0.091 0.000 2.240 471 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 471 L C 2.436 179.428 176.870 0.204 0.000 1.106 471 L CA 1.117 56.021 54.840 0.107 0.000 0.793 471 L CB -0.596 41.455 42.059 -0.013 0.000 0.927 471 L HN 0.593 nan 8.230 nan 0.000 0.446 472 Y N 0.692 121.053 120.300 0.103 0.000 2.145 472 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 472 Y C 2.784 178.758 175.900 0.123 0.000 1.145 472 Y CA 1.399 59.571 58.100 0.120 0.000 1.148 472 Y CB -0.211 38.324 38.460 0.125 0.000 0.981 472 Y HN -0.064 nan 8.280 nan 0.000 0.507 473 R N 0.257 120.737 120.500 -0.033 0.000 2.094 473 R HA -0.272 4.068 4.340 -0.000 0.000 0.239 473 R C 2.119 178.362 176.300 -0.094 0.000 1.137 473 R CA 2.081 58.104 56.100 -0.128 0.000 0.943 473 R CB -1.871 28.437 30.300 0.014 0.000 0.850 473 R HN 0.698 nan 8.270 nan 0.000 0.433 474 W N 1.367 122.595 121.300 -0.121 0.000 2.302 474 W HA -0.253 4.407 4.660 -0.000 0.000 0.320 474 W C 1.966 178.393 176.519 -0.153 0.000 1.241 474 W CA 2.433 59.708 57.345 -0.117 0.000 1.264 474 W CB -0.404 28.996 29.460 -0.100 0.000 1.154 474 W HN 0.089 nan 8.180 nan 0.000 0.483 475 I N 0.392 120.968 120.570 0.010 0.000 2.286 475 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 475 I C 2.357 178.312 176.117 -0.270 0.000 1.115 475 I CA 1.266 62.456 61.300 -0.183 0.000 1.392 475 I CB -1.125 36.846 38.000 -0.049 0.000 1.065 475 I HN -0.043 nan 8.210 nan 0.000 0.418 476 K N 1.400 121.637 120.400 -0.273 0.000 2.063 476 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 476 K C 2.324 178.780 176.600 -0.241 0.000 1.048 476 K CA 1.656 57.781 56.287 -0.271 0.000 0.928 476 K CB -0.528 31.730 32.500 -0.405 0.000 0.713 476 K HN 0.323 nan 8.250 nan 0.000 0.442 477 S N 0.805 116.323 115.700 -0.303 0.000 2.345 477 S HA -0.068 4.402 4.470 -0.000 0.000 0.219 477 S C 2.282 176.652 174.600 -0.382 0.000 1.031 477 S CA 1.178 59.197 58.200 -0.301 0.000 0.984 477 S CB -0.437 62.579 63.200 -0.307 0.000 0.874 477 S HN 0.008 nan 8.310 nan 0.000 0.451 478 V N 1.634 121.164 119.914 -0.640 0.000 2.392 478 V HA -0.098 4.022 4.120 -0.000 0.000 0.249 478 V C 0.678 176.544 176.094 -0.381 0.000 1.059 478 V CA 1.662 63.560 62.300 -0.670 0.000 1.051 478 V CB -0.636 30.405 31.823 -1.302 0.000 0.658 478 V HN 0.482 nan 8.190 nan 0.000 0.455 479 D N -1.198 119.030 120.400 -0.288 0.000 2.386 479 D HA 0.305 4.945 4.640 -0.000 0.000 0.247 479 D C -2.287 174.011 176.300 -0.004 0.000 1.336 479 D CA -1.500 52.443 54.000 -0.096 0.000 0.976 479 D CB 1.996 42.800 40.800 0.007 0.000 1.257 479 D HN -0.008 nan 8.370 nan 0.000 0.570 480 P HA -0.002 nan 4.420 nan 0.000 0.235 480 P C 1.289 178.615 177.300 0.043 0.000 1.177 480 P CA 0.331 63.432 63.100 0.001 0.000 0.785 480 P CB 0.211 31.895 31.700 -0.026 0.000 0.885 481 S N -0.653 115.081 115.700 0.057 0.000 2.419 481 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 481 S C 0.981 175.617 174.600 0.061 0.000 1.019 481 S CA 0.616 58.851 58.200 0.059 0.000 0.982 481 S CB -0.598 62.631 63.200 0.047 0.000 0.789 481 S HN 0.113 nan 8.310 nan 0.000 0.490 482 R N 1.033 121.593 120.500 0.100 0.000 2.750 482 R HA 0.610 4.950 4.340 -0.000 0.000 0.281 482 R C -3.181 173.188 176.300 0.115 0.000 0.972 482 R CA -2.396 53.729 56.100 0.041 0.000 0.912 482 R CB 1.377 31.596 30.300 -0.136 0.000 1.187 482 R HN 0.141 nan 8.270 nan 0.000 0.464 483 P HA 0.220 nan 4.420 nan 0.000 0.276 483 P C -0.887 176.534 177.300 0.201 0.000 1.252 483 P CA -0.515 62.660 63.100 0.125 0.000 0.802 483 P CB 0.790 32.536 31.700 0.076 0.000 1.035 484 V N 1.404 121.486 119.914 0.279 0.000 2.680 484 V HA 0.475 4.595 4.120 -0.000 0.000 0.309 484 V C -0.149 176.110 176.094 0.274 0.000 1.052 484 V CA -0.415 62.105 62.300 0.365 0.000 0.908 484 V CB 1.578 33.716 31.823 0.525 0.000 1.001 484 V HN 0.627 nan 8.190 nan 0.000 0.431 485 Q N 3.540 123.479 119.800 0.233 0.000 2.359 485 Q HA 0.762 5.102 4.340 -0.000 0.000 0.274 485 Q C -1.850 174.267 176.000 0.195 0.000 1.074 485 Q CA -0.932 54.957 55.803 0.142 0.000 0.810 485 Q CB 2.865 31.650 28.738 0.078 0.000 1.342 485 Q HN 0.703 nan 8.270 nan 0.000 0.427 486 Y N 0.999 121.268 120.300 -0.050 0.000 2.348 486 Y HA 0.167 4.717 4.550 -0.000 0.000 0.321 486 Y C -0.048 175.774 175.900 -0.129 0.000 1.163 486 Y CA -0.576 57.477 58.100 -0.079 0.000 1.070 486 Y CB 2.151 40.571 38.460 -0.066 0.000 1.250 486 Y HN 0.940 nan 8.280 nan 0.000 0.425 487 E N 3.857 123.629 120.200 -0.714 0.000 2.216 487 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 487 E C 0.792 176.936 176.600 -0.761 0.000 0.988 487 E CA 0.837 56.875 56.400 -0.603 0.000 0.834 487 E CB 0.065 29.515 29.700 -0.416 0.000 0.772 487 E HN 0.921 nan 8.360 nan 0.000 0.479 488 G N -0.084 107.803 108.800 -1.522 0.000 2.583 488 G HA2 0.096 4.056 3.960 -0.000 0.000 0.230 488 G HA3 0.096 4.056 3.960 -0.000 0.000 0.230 488 G C 0.933 175.687 174.900 -0.242 0.000 1.249 488 G CA 0.496 45.091 45.100 -0.842 0.000 0.857 488 G HN 0.415 nan 8.290 nan 0.000 0.569 489 G N -0.386 108.373 108.800 -0.068 0.000 2.186 489 G HA2 0.159 4.119 3.960 -0.000 0.000 0.266 489 G HA3 0.159 4.119 3.960 -0.000 0.000 0.266 489 G C 1.299 176.191 174.900 -0.012 0.000 0.982 489 G CA 1.380 46.499 45.100 0.032 0.000 0.670 489 G HN 2.569 nan 8.290 nan 0.000 0.533 490 G N -2.211 106.565 108.800 -0.040 0.000 2.870 490 G HA2 0.473 4.433 3.960 -0.000 0.000 0.216 490 G HA3 0.473 4.433 3.960 -0.000 0.000 0.216 490 G C 1.005 175.973 174.900 0.112 0.000 0.973 490 G CA 1.282 46.423 45.100 0.069 0.000 0.807 490 G HN 2.187 nan 8.290 nan 0.000 0.573 491 A N 0.419 123.189 122.820 -0.085 0.000 4.029 491 A HA -0.258 4.062 4.320 -0.000 0.000 0.268 491 A C 1.358 178.815 177.584 -0.212 0.000 0.943 491 A CA 2.767 54.694 52.037 -0.184 0.000 1.137 491 A CB -1.800 17.068 19.000 -0.219 0.000 1.074 491 A HN 1.839 nan 8.150 nan 0.000 0.854 492 D N -0.222 120.143 120.400 -0.059 0.000 2.501 492 D HA 0.272 4.912 4.640 -0.000 0.000 0.224 492 D C 0.671 176.934 176.300 -0.062 0.000 1.202 492 D CA 1.023 54.987 54.000 -0.060 0.000 0.829 492 D CB -1.160 39.708 40.800 0.113 0.000 1.023 492 D HN 0.895 nan 8.370 nan 0.000 0.499 493 T N -1.661 112.813 114.554 -0.133 0.000 2.667 493 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 493 T C 1.566 176.139 174.700 -0.212 0.000 1.022 493 T CA 0.674 62.633 62.100 -0.235 0.000 0.995 493 T CB 0.815 69.385 68.868 -0.497 0.000 1.026 493 T HN 0.097 nan 8.240 nan 0.000 0.527 494 T N -2.138 112.285 114.554 -0.218 0.000 3.160 494 T HA 0.245 4.595 4.350 -0.000 0.000 0.257 494 T C 1.738 176.242 174.700 -0.327 0.000 1.147 494 T CA 0.330 62.334 62.100 -0.160 0.000 1.064 494 T CB -0.459 68.395 68.868 -0.024 0.000 0.949 494 T HN 0.817 nan 8.240 nan 0.000 0.526 495 A N 0.519 123.160 122.820 -0.297 0.000 2.275 495 A HA 0.437 4.757 4.320 -0.000 0.000 0.212 495 A C 1.064 178.307 177.584 -0.568 0.000 1.201 495 A CA 0.039 51.842 52.037 -0.390 0.000 0.843 495 A CB -0.006 19.069 19.000 0.124 0.000 0.873 495 A HN 0.462 nan 8.150 nan 0.000 0.492 496 T N -1.619 112.649 114.554 -0.475 0.000 2.912 496 T HA 0.380 4.730 4.350 -0.000 0.000 0.299 496 T C -0.381 174.210 174.700 -0.181 0.000 1.052 496 T CA -0.512 61.439 62.100 -0.247 0.000 0.996 496 T CB 1.295 70.101 68.868 -0.105 0.000 1.070 496 T HN 0.104 nan 8.240 nan 0.000 0.465 497 D N 2.697 123.091 120.400 -0.010 0.000 2.213 497 D HA 0.201 4.841 4.640 -0.000 0.000 0.205 497 D C 0.547 176.840 176.300 -0.012 0.000 0.961 497 D CA 0.768 54.796 54.000 0.047 0.000 0.853 497 D CB 0.468 41.351 40.800 0.138 0.000 0.967 497 D HN 0.501 nan 8.370 nan 0.000 0.496 498 I N 1.752 122.299 120.570 -0.038 0.000 2.412 498 I HA 0.168 4.338 4.170 -0.000 0.000 0.296 498 I C 0.204 176.226 176.117 -0.158 0.000 0.987 498 I CA -0.712 60.536 61.300 -0.086 0.000 1.180 498 I CB 2.440 40.403 38.000 -0.061 0.000 1.340 498 I HN -0.288 nan 8.210 nan 0.000 0.455 499 I N 6.169 126.600 120.570 -0.232 0.000 2.505 499 I HA 0.030 4.200 4.170 -0.000 0.000 0.287 499 I C 0.082 175.966 176.117 -0.388 0.000 1.104 499 I CA -0.025 61.041 61.300 -0.390 0.000 1.387 499 I CB -0.047 37.620 38.000 -0.555 0.000 1.404 499 I HN 0.664 nan 8.210 nan 0.000 0.528 500 C N 5.804 124.890 119.300 -0.357 0.000 3.335 500 C HA 0.484 4.944 4.460 -0.000 0.000 0.217 500 C C -2.248 172.589 174.990 -0.255 0.000 1.330 500 C CA -2.268 56.593 59.018 -0.262 0.000 1.470 500 C CB -0.369 27.277 27.740 -0.156 0.000 1.806 500 C HN 0.451 nan 8.230 nan 0.000 0.468 501 P HA 0.405 nan 4.420 nan 0.000 0.276 501 P C -0.495 176.747 177.300 -0.096 0.000 1.252 501 P CA -0.080 62.951 63.100 -0.114 0.000 0.802 501 P CB 0.950 32.704 31.700 0.091 0.000 1.035 502 M N 0.789 120.325 119.600 -0.106 0.000 2.167 502 M HA 0.451 4.931 4.480 -0.000 0.000 0.333 502 M C -1.137 175.045 176.300 -0.196 0.000 1.030 502 M CA -0.625 54.469 55.300 -0.343 0.000 0.963 502 M CB 0.770 33.076 32.600 -0.490 0.000 1.589 502 M HN 0.221 nan 8.290 nan 0.000 0.431 503 Y N 0.332 120.757 120.300 0.209 0.000 3.125 503 Y HA -0.117 4.433 4.550 -0.000 0.000 0.200 503 Y C -0.129 175.920 175.900 0.249 0.000 1.373 503 Y CA 0.614 58.849 58.100 0.225 0.000 1.180 503 Y CB -2.459 36.102 38.460 0.168 0.000 1.381 503 Y HN 0.942 nan 8.280 nan 0.000 0.501 504 A N 0.860 123.908 122.820 0.380 0.000 2.305 504 A HA 0.814 5.134 4.320 -0.000 0.000 0.322 504 A C 0.513 178.313 177.584 0.359 0.000 1.187 504 A CA -1.013 51.235 52.037 0.352 0.000 0.825 504 A CB 0.751 19.997 19.000 0.410 0.000 1.164 504 A HN 0.414 nan 8.150 nan 0.000 0.498 505 R N 1.297 121.931 120.500 0.223 0.000 2.679 505 R HA 0.246 4.586 4.340 -0.000 0.000 0.269 505 R C 0.991 177.289 176.300 -0.003 0.000 1.076 505 R CA -0.483 55.690 56.100 0.122 0.000 1.160 505 R CB 0.553 30.889 30.300 0.060 0.000 1.054 505 R HN 0.492 nan 8.270 nan 0.000 0.507 506 V N 0.952 120.721 119.914 -0.240 0.000 2.307 506 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 506 V C 0.867 176.864 176.094 -0.161 0.000 1.045 506 V CA 1.949 64.068 62.300 -0.301 0.000 1.024 506 V CB -0.232 31.298 31.823 -0.488 0.000 0.651 506 V HN 0.789 nan 8.190 nan 0.000 0.449 507 D N -1.634 118.697 120.400 -0.115 0.000 2.500 507 D HA 0.148 4.788 4.640 -0.000 0.000 0.217 507 D C 0.616 176.897 176.300 -0.032 0.000 1.159 507 D CA 0.028 53.987 54.000 -0.068 0.000 0.828 507 D CB 1.230 41.993 40.800 -0.062 0.000 1.039 507 D HN 0.457 nan 8.370 nan 0.000 0.512 508 E N 1.446 121.631 120.200 -0.025 0.000 2.195 508 E HA 0.196 4.546 4.350 -0.000 0.000 0.271 508 E C -1.197 175.391 176.600 -0.021 0.000 0.923 508 E CA -0.625 55.763 56.400 -0.019 0.000 0.790 508 E CB 1.601 31.290 29.700 -0.019 0.000 1.155 508 E HN -0.211 nan 8.360 nan 0.000 0.402 509 D N 3.001 123.378 120.400 -0.037 0.000 2.175 509 D HA 0.171 4.811 4.640 -0.000 0.000 0.248 509 D C -0.791 175.374 176.300 -0.225 0.000 1.047 509 D CA -0.238 53.714 54.000 -0.080 0.000 0.883 509 D CB 1.582 42.392 40.800 0.017 0.000 1.180 509 D HN 0.335 nan 8.370 nan 0.000 0.438 510 Q N 1.457 121.017 119.800 -0.399 0.000 2.788 510 Q HA 0.271 4.611 4.340 -0.000 0.000 0.261 510 Q C -2.183 173.144 176.000 -1.122 0.000 1.029 510 Q CA -1.677 53.694 55.803 -0.720 0.000 0.848 510 Q CB 1.453 29.802 28.738 -0.647 0.000 1.185 510 Q HN 0.110 nan 8.270 nan 0.000 0.482 511 P HA -0.141 nan 4.420 nan 0.000 0.234 511 P C -0.817 176.135 177.300 -0.580 0.000 1.457 511 P CA 0.316 63.010 63.100 -0.677 0.000 0.891 511 P CB -0.630 30.853 31.700 -0.361 0.000 1.734 512 F N 2.124 121.917 119.950 -0.262 0.000 2.553 512 F HA 0.150 4.677 4.527 -0.000 0.000 0.356 512 F C -1.122 174.571 175.800 -0.178 0.000 1.142 512 F CA -2.509 55.386 58.000 -0.175 0.000 1.322 512 F CB -1.089 37.821 39.000 -0.149 0.000 1.126 512 F HN 0.050 nan 8.300 nan 0.000 0.599 513 P HA 0.079 nan 4.420 nan 0.000 0.267 513 P C 0.428 177.743 177.300 0.024 0.000 1.200 513 P CA 0.889 64.003 63.100 0.024 0.000 0.772 513 P CB 0.830 32.548 31.700 0.030 0.000 0.855 514 A N 2.617 125.442 122.820 0.007 0.000 3.351 514 A HA -0.270 4.050 4.320 -0.000 0.000 0.237 514 A C 0.819 178.407 177.584 0.007 0.000 0.458 514 A CA 2.479 54.525 52.037 0.015 0.000 1.108 514 A CB -2.705 16.308 19.000 0.022 0.000 1.347 514 A HN 0.643 nan 8.150 nan 0.000 0.665 515 V N -3.412 116.503 119.914 0.003 0.000 2.468 515 V HA 0.533 4.653 4.120 -0.000 0.000 0.256 515 V C -2.591 173.500 176.094 -0.005 0.000 0.998 515 V CA -1.434 60.864 62.300 -0.003 0.000 1.114 515 V CB 0.552 32.373 31.823 -0.004 0.000 1.378 515 V HN 0.345 nan 8.190 nan 0.000 0.573 516 P HA 0.341 nan 4.420 nan 0.000 0.272 516 P C -0.574 176.299 177.300 -0.711 0.000 1.230 516 P CA 0.055 62.820 63.100 -0.559 0.000 0.788 516 P CB 0.908 31.910 31.700 -1.164 0.000 0.949 517 K N 1.620 121.576 120.400 -0.739 0.000 2.483 517 K HA 0.246 4.566 4.320 -0.000 0.000 0.256 517 K C -0.735 175.417 176.600 -0.747 0.000 0.961 517 K CA -0.256 55.708 56.287 -0.538 0.000 0.873 517 K CB 0.955 33.454 32.500 -0.001 0.000 1.107 517 K HN 0.485 nan 8.250 nan 0.000 0.432 518 W N 1.018 121.822 121.300 -0.827 0.000 2.253 518 W HA 0.180 4.840 4.660 -0.000 0.000 0.348 518 W C 1.227 177.666 176.519 -0.135 0.000 1.229 518 W CA -0.570 56.452 57.345 -0.539 0.000 1.335 518 W CB 0.700 29.666 29.460 -0.825 0.000 1.165 518 W HN 0.400 nan 8.180 nan 0.000 0.631 519 S N 2.504 118.317 115.700 0.188 0.000 2.552 519 S HA -0.065 4.405 4.470 -0.000 0.000 0.289 519 S C 1.097 175.820 174.600 0.204 0.000 1.304 519 S CA -0.334 57.941 58.200 0.127 0.000 1.063 519 S CB 0.099 63.331 63.200 0.055 0.000 0.848 519 S HN 0.529 nan 8.310 nan 0.000 0.499 520 I N 2.012 122.685 120.570 0.172 0.000 2.850 520 I HA -0.062 4.108 4.170 -0.000 0.000 0.266 520 I C 1.627 177.759 176.117 0.025 0.000 1.257 520 I CA 1.084 62.492 61.300 0.180 0.000 1.465 520 I CB -0.240 37.843 38.000 0.138 0.000 1.091 520 I HN 0.573 nan 8.210 nan 0.000 0.467 521 K N 1.664 122.010 120.400 -0.090 0.000 2.262 521 K HA -0.032 4.288 4.320 -0.000 0.000 0.200 521 K C 2.121 178.724 176.600 0.005 0.000 1.049 521 K CA 0.986 57.140 56.287 -0.221 0.000 0.979 521 K CB 0.014 32.302 32.500 -0.354 0.000 0.773 521 K HN 0.430 nan 8.250 nan 0.000 0.474 522 K N 0.622 121.043 120.400 0.036 0.000 2.005 522 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 522 K C 1.805 178.432 176.600 0.045 0.000 1.044 522 K CA 0.726 57.018 56.287 0.008 0.000 0.942 522 K CB -0.244 32.222 32.500 -0.056 0.000 0.727 522 K HN 0.076 nan 8.250 nan 0.000 0.439 523 W N 2.232 123.505 121.300 -0.045 0.000 2.269 523 W HA -0.316 4.344 4.660 -0.000 0.000 0.336 523 W C 1.866 178.346 176.519 -0.066 0.000 1.333 523 W CA 1.989 59.310 57.345 -0.041 0.000 1.299 523 W CB -1.026 28.498 29.460 0.108 0.000 1.126 523 W HN 0.196 nan 8.180 nan 0.000 0.474 524 L N 0.480 121.847 121.223 0.239 0.000 2.010 524 L HA -0.330 4.010 4.340 -0.000 0.000 0.219 524 L C 2.528 179.448 176.870 0.083 0.000 1.077 524 L CA 2.488 57.398 54.840 0.116 0.000 0.773 524 L CB -1.624 40.499 42.059 0.107 0.000 0.892 524 L HN 0.074 nan 8.230 nan 0.000 0.436 525 S N -0.715 115.023 115.700 0.064 0.000 2.607 525 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 525 S C 0.806 175.387 174.600 -0.032 0.000 0.969 525 S CA -0.321 57.890 58.200 0.018 0.000 0.927 525 S CB -0.696 62.514 63.200 0.018 0.000 0.772 525 S HN 0.202 nan 8.310 nan 0.000 0.533 526 L N 2.272 123.467 121.223 -0.047 0.000 2.543 526 L HA 0.175 4.515 4.340 -0.000 0.000 0.285 526 L C -2.128 174.708 176.870 -0.056 0.000 1.236 526 L CA -1.387 53.388 54.840 -0.109 0.000 0.871 526 L CB -0.210 41.783 42.059 -0.110 0.000 1.121 526 L HN 0.131 nan 8.230 nan 0.000 0.501 527 P HA 0.071 nan 4.420 nan 0.000 0.266 527 P C 0.716 178.003 177.300 -0.022 0.000 1.215 527 P CA 0.745 63.820 63.100 -0.042 0.000 0.763 527 P CB 0.935 32.607 31.700 -0.047 0.000 0.806 528 G N 2.472 111.266 108.800 -0.010 0.000 2.399 528 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 528 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 528 G C 0.316 175.221 174.900 0.008 0.000 1.096 528 G CA -0.062 45.039 45.100 0.001 0.000 0.650 528 G HN 0.625 nan 8.290 nan 0.000 0.512 529 E N 1.507 121.716 120.200 0.015 0.000 2.442 529 E HA 0.471 4.821 4.350 -0.000 0.000 0.262 529 E C 1.413 178.019 176.600 0.010 0.000 1.004 529 E CA 1.406 57.820 56.400 0.023 0.000 0.928 529 E CB 0.749 30.483 29.700 0.058 0.000 0.937 529 E HN 0.817 nan 8.360 nan 0.000 0.446 530 T N 0.551 115.105 114.554 0.000 0.000 3.131 530 T HA 0.274 4.624 4.350 -0.000 0.000 0.283 530 T C 0.460 175.150 174.700 -0.017 0.000 0.906 530 T CA -0.469 61.629 62.100 -0.005 0.000 0.882 530 T CB 0.074 68.941 68.868 -0.001 0.000 1.208 530 T HN 0.289 nan 8.240 nan 0.000 0.561 531 R N 2.091 122.570 120.500 -0.034 0.000 2.649 531 R HA 0.527 4.867 4.340 -0.000 0.000 0.270 531 R C -2.665 173.591 176.300 -0.074 0.000 1.105 531 R CA -1.810 54.257 56.100 -0.054 0.000 1.193 531 R CB -0.063 30.190 30.300 -0.079 0.000 1.120 531 R HN 0.235 nan 8.270 nan 0.000 0.561 532 P HA 0.094 nan 4.420 nan 0.000 0.276 532 P C -1.269 175.935 177.300 -0.160 0.000 1.244 532 P CA -0.454 62.583 63.100 -0.106 0.000 0.801 532 P CB 0.587 32.224 31.700 -0.105 0.000 1.006 533 L N 3.203 124.316 121.223 -0.184 0.000 2.322 533 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 533 L C -1.150 175.547 176.870 -0.289 0.000 1.014 533 L CA -0.577 54.116 54.840 -0.245 0.000 0.815 533 L CB 0.102 42.024 42.059 -0.229 0.000 1.247 533 L HN 0.288 nan 8.230 nan 0.000 0.421 534 I N 6.181 126.576 120.570 -0.291 0.000 2.563 534 I HA 0.229 4.399 4.170 -0.000 0.000 0.285 534 I C -0.843 175.122 176.117 -0.253 0.000 1.123 534 I CA -0.608 60.495 61.300 -0.329 0.000 1.059 534 I CB 1.954 39.799 38.000 -0.259 0.000 1.229 534 I HN 0.479 nan 8.210 nan 0.000 0.442 535 L N 5.085 126.121 121.223 -0.311 0.000 2.455 535 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 535 L C 1.445 178.321 176.870 0.010 0.000 1.174 535 L CA -0.213 54.520 54.840 -0.180 0.000 0.869 535 L CB 0.666 42.581 42.059 -0.240 0.000 1.130 535 L HN 0.840 nan 8.230 nan 0.000 0.474 536 C N -0.078 119.244 119.300 0.036 0.000 2.492 536 C HA 0.179 4.639 4.460 -0.000 0.000 0.279 536 C C 0.686 175.816 174.990 0.233 0.000 1.335 536 C CA -0.240 58.884 59.018 0.177 0.000 1.734 536 C CB -0.864 26.891 27.740 0.025 0.000 2.027 536 C HN 0.816 nan 8.230 nan 0.000 0.496 537 E N -0.149 120.049 120.200 -0.003 0.000 2.256 537 E HA 0.653 5.003 4.350 -0.000 0.000 0.268 537 E C -1.240 175.265 176.600 -0.158 0.000 0.877 537 E CA -0.281 56.066 56.400 -0.089 0.000 0.757 537 E CB 2.008 31.408 29.700 -0.500 0.000 1.183 537 E HN 0.592 nan 8.360 nan 0.000 0.418 538 Y N -0.103 120.220 120.300 0.038 0.000 2.604 538 Y HA 0.559 5.109 4.550 -0.000 0.000 0.331 538 Y C -0.878 175.221 175.900 0.331 0.000 1.158 538 Y CA -0.959 57.224 58.100 0.139 0.000 1.056 538 Y CB 0.693 39.057 38.460 -0.161 0.000 1.330 538 Y HN 0.706 nan 8.280 nan 0.000 0.457 539 A N 2.431 125.270 122.820 0.032 0.000 2.734 539 A HA -0.257 4.063 4.320 -0.000 0.000 0.294 539 A C -0.226 177.471 177.584 0.188 0.000 1.455 539 A CA 0.914 52.961 52.037 0.017 0.000 0.730 539 A CB -2.730 16.141 19.000 -0.216 0.000 1.077 539 A HN 1.342 nan 8.150 nan 0.000 0.448 540 H N 0.348 119.510 119.070 0.154 0.000 3.342 540 H HA 0.184 4.740 4.556 -0.000 0.000 0.233 540 H C 1.364 176.718 175.328 0.044 0.000 0.967 540 H CA 0.385 56.534 56.048 0.169 0.000 1.404 540 H CB 0.231 29.991 29.762 -0.003 0.000 1.560 540 H HN 0.861 nan 8.280 nan 0.000 0.510 541 A N 6.095 128.890 122.820 -0.042 0.000 2.233 541 A HA -0.030 4.290 4.320 -0.000 0.000 0.230 541 A C 1.077 178.454 177.584 -0.344 0.000 1.347 541 A CA -0.238 51.672 52.037 -0.210 0.000 1.087 541 A CB -0.651 18.225 19.000 -0.207 0.000 0.871 541 A HN 0.808 nan 8.150 nan 0.000 0.519 542 M N 1.304 120.574 119.600 -0.550 0.000 2.435 542 M HA 0.349 4.829 4.480 -0.000 0.000 0.338 542 M C 1.137 177.167 176.300 -0.450 0.000 1.628 542 M CA 1.331 56.292 55.300 -0.565 0.000 1.215 542 M CB -0.615 31.531 32.600 -0.757 0.000 1.905 542 M HN 0.788 nan 8.290 nan 0.000 0.457 543 G N 4.505 113.074 108.800 -0.385 0.000 2.556 543 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.283 543 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.283 543 G C -0.161 174.290 174.900 -0.748 0.000 1.177 543 G CA 0.175 44.952 45.100 -0.540 0.000 0.978 543 G HN 0.821 nan 8.290 nan 0.000 0.554 544 N N 1.661 119.760 118.700 -1.001 0.000 2.508 544 N HA 0.548 5.288 4.740 -0.000 0.000 0.253 544 N C -0.238 174.965 175.510 -0.512 0.000 1.145 544 N CA 0.925 53.469 53.050 -0.843 0.000 0.973 544 N CB 0.315 38.306 38.487 -0.826 0.000 1.305 544 N HN 0.672 nan 8.380 nan 0.000 0.506 545 S N 1.487 116.967 115.700 -0.367 0.000 2.840 545 S HA 0.638 5.108 4.470 -0.000 0.000 0.307 545 S C -0.380 174.089 174.600 -0.218 0.000 1.180 545 S CA -0.426 57.607 58.200 -0.277 0.000 0.846 545 S CB 0.761 63.813 63.200 -0.247 0.000 1.233 545 S HN 0.404 nan 8.310 nan 0.000 0.548 546 L N 0.171 121.294 121.223 -0.167 0.000 4.237 546 L HA -0.028 4.312 4.340 -0.000 0.000 0.393 546 L C 0.286 177.128 176.870 -0.047 0.000 0.985 546 L CA 0.786 55.540 54.840 -0.144 0.000 1.384 546 L CB -1.610 40.261 42.059 -0.313 0.000 1.965 546 L HN 0.717 nan 8.230 nan 0.000 0.544 547 G N -1.034 107.724 108.800 -0.070 0.000 2.370 547 G HA2 0.539 4.499 3.960 -0.000 0.000 0.272 547 G HA3 0.539 4.499 3.960 -0.000 0.000 0.272 547 G C 1.146 176.059 174.900 0.020 0.000 1.208 547 G CA 0.261 45.309 45.100 -0.086 0.000 0.856 547 G HN 1.226 nan 8.290 nan 0.000 0.500 548 G N 1.692 110.525 108.800 0.054 0.000 2.218 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 548 G C 1.093 176.161 174.900 0.279 0.000 0.994 548 G CA 0.624 45.809 45.100 0.143 0.000 0.637 548 G HN 0.673 nan 8.290 nan 0.000 0.505 549 F N 2.227 122.285 119.950 0.181 0.000 2.063 549 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 549 F C 2.796 178.780 175.800 0.308 0.000 1.109 549 F CA 2.948 61.126 58.000 0.296 0.000 1.212 549 F CB -0.562 38.549 39.000 0.185 0.000 0.973 549 F HN 0.388 nan 8.300 nan 0.000 0.480 550 A N -0.507 122.488 122.820 0.291 0.000 2.070 550 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 550 A C 2.269 179.883 177.584 0.051 0.000 1.159 550 A CA 1.451 53.587 52.037 0.166 0.000 0.656 550 A CB -0.660 18.440 19.000 0.167 0.000 0.800 550 A HN 0.432 nan 8.150 nan 0.000 0.453 551 K N -1.246 119.168 120.400 0.023 0.000 2.009 551 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 551 K C 1.797 178.196 176.600 -0.334 0.000 1.049 551 K CA 1.992 58.203 56.287 -0.127 0.000 0.929 551 K CB -0.445 31.953 32.500 -0.170 0.000 0.714 551 K HN 0.599 nan 8.250 nan 0.000 0.440 552 Y N -0.199 119.865 120.300 -0.394 0.000 2.053 552 Y HA -0.296 4.254 4.550 -0.000 0.000 0.277 552 Y C 2.270 177.286 175.900 -1.474 0.000 1.159 552 Y CA 1.776 59.308 58.100 -0.947 0.000 1.125 552 Y CB -0.858 37.066 38.460 -0.895 0.000 0.969 552 Y HN 0.218 nan 8.280 nan 0.000 0.492 553 W N 0.090 120.955 121.300 -0.724 0.000 2.331 553 W HA -0.226 4.434 4.660 -0.000 0.000 0.291 553 W C 2.606 178.939 176.519 -0.311 0.000 1.214 553 W CA 1.708 58.724 57.345 -0.549 0.000 1.228 553 W CB -0.736 28.503 29.460 -0.368 0.000 1.135 553 W HN 0.154 nan 8.180 nan 0.000 0.537 554 Q N 0.329 120.035 119.800 -0.158 0.000 2.046 554 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 554 Q C 2.354 178.313 176.000 -0.068 0.000 0.975 554 Q CA 1.924 57.689 55.803 -0.062 0.000 0.836 554 Q CB -0.510 28.204 28.738 -0.040 0.000 0.896 554 Q HN 0.267 nan 8.270 nan 0.000 0.428 555 A N 0.630 123.332 122.820 -0.197 0.000 1.883 555 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 555 A C 1.796 179.401 177.584 0.034 0.000 1.186 555 A CA 1.570 53.524 52.037 -0.138 0.000 0.624 555 A CB -0.898 17.907 19.000 -0.324 0.000 0.822 555 A HN 0.382 nan 8.150 nan 0.000 0.444 556 F N 0.483 120.295 119.950 -0.230 0.000 2.075 556 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 556 F C 2.488 178.228 175.800 -0.099 0.000 1.113 556 F CA 1.394 59.233 58.000 -0.267 0.000 1.218 556 F CB -1.137 37.511 39.000 -0.587 0.000 0.984 556 F HN 0.278 nan 8.300 nan 0.000 0.472 557 R N 0.185 120.776 120.500 0.152 0.000 2.285 557 R HA -0.105 4.235 4.340 -0.000 0.000 0.213 557 R C 1.845 178.199 176.300 0.091 0.000 1.068 557 R CA 0.938 57.106 56.100 0.113 0.000 1.004 557 R CB -0.548 29.809 30.300 0.094 0.000 0.873 557 R HN 0.439 nan 8.270 nan 0.000 0.467 558 Q N 0.073 119.956 119.800 0.138 0.000 2.349 558 Q HA 0.049 4.389 4.340 -0.000 0.000 0.209 558 Q C -0.410 175.630 176.000 0.067 0.000 0.920 558 Q CA 0.350 56.221 55.803 0.114 0.000 0.901 558 Q CB 0.517 29.355 28.738 0.167 0.000 1.021 558 Q HN 0.262 nan 8.270 nan 0.000 0.519 559 Y N 0.739 121.036 120.300 -0.005 0.000 2.341 559 Y HA 0.219 4.769 4.550 -0.000 0.000 0.340 559 Y C -1.702 174.180 175.900 -0.030 0.000 0.997 559 Y CA -2.514 55.578 58.100 -0.013 0.000 1.149 559 Y CB 1.320 39.779 38.460 -0.003 0.000 1.171 559 Y HN 0.161 nan 8.280 nan 0.000 0.494 560 P HA -0.141 nan 4.420 nan 0.000 0.215 560 P C 0.869 178.169 177.300 -0.001 0.000 1.153 560 P CA 1.660 64.762 63.100 0.003 0.000 0.853 560 P CB 0.322 32.005 31.700 -0.028 0.000 0.788 561 R N -0.946 119.569 120.500 0.026 0.000 2.356 561 R HA 0.215 4.555 4.340 -0.000 0.000 0.234 561 R C 0.155 176.427 176.300 -0.047 0.000 0.929 561 R CA -0.060 56.032 56.100 -0.014 0.000 1.084 561 R CB -0.317 29.984 30.300 0.001 0.000 1.105 561 R HN 0.274 nan 8.270 nan 0.000 0.515 562 L N 1.467 122.671 121.223 -0.033 0.000 2.272 562 L HA 0.225 4.565 4.340 -0.000 0.000 0.284 562 L C 0.519 177.199 176.870 -0.317 0.000 1.045 562 L CA 0.021 54.781 54.840 -0.134 0.000 0.842 562 L CB 1.469 43.539 42.059 0.018 0.000 1.224 562 L HN 0.015 nan 8.230 nan 0.000 0.430 563 Q N 2.493 122.019 119.800 -0.457 0.000 2.175 563 Q HA 0.371 4.711 4.340 -0.000 0.000 0.225 563 Q C 0.576 176.110 176.000 -0.776 0.000 0.837 563 Q CA -0.001 55.507 55.803 -0.492 0.000 1.032 563 Q CB 1.282 29.843 28.738 -0.296 0.000 1.137 563 Q HN 0.915 nan 8.270 nan 0.000 0.483 564 G N -0.911 106.993 108.800 -1.493 0.000 2.306 564 G HA2 0.255 4.215 3.960 -0.000 0.000 0.262 564 G HA3 0.255 4.215 3.960 -0.000 0.000 0.262 564 G C -0.498 173.609 174.900 -1.322 0.000 1.263 564 G CA -0.672 43.433 45.100 -1.658 0.000 1.088 564 G HN 0.478 nan 8.290 nan 0.000 0.489 565 G N -2.153 106.103 108.800 -0.907 0.000 2.349 565 G HA2 0.630 4.590 3.960 -0.000 0.000 0.294 565 G HA3 0.630 4.590 3.960 -0.000 0.000 0.294 565 G C -1.920 172.706 174.900 -0.457 0.000 1.380 565 G CA -0.366 44.286 45.100 -0.747 0.000 0.811 565 G HN 1.131 nan 8.290 nan 0.000 0.519 566 F N 0.745 120.887 119.950 0.320 0.000 2.403 566 F HA 0.523 5.050 4.527 -0.000 0.000 0.355 566 F C 0.695 176.910 175.800 0.691 0.000 1.119 566 F CA -0.792 57.503 58.000 0.492 0.000 1.007 566 F CB 2.004 41.194 39.000 0.317 0.000 1.194 566 F HN 0.233 nan 8.300 nan 0.000 0.443 567 V N 3.595 123.968 119.914 0.766 0.000 2.655 567 V HA -0.072 4.048 4.120 -0.000 0.000 0.300 567 V C -0.282 176.096 176.094 0.473 0.000 1.044 567 V CA -0.423 62.126 62.300 0.414 0.000 1.095 567 V CB 0.779 32.808 31.823 0.344 0.000 0.952 567 V HN 0.778 nan 8.190 nan 0.000 0.485 568 W N 6.538 128.006 121.300 0.280 0.000 2.361 568 W HA 0.512 5.172 4.660 -0.000 0.000 0.314 568 W C -1.161 175.519 176.519 0.269 0.000 1.041 568 W CA -0.768 56.773 57.345 0.325 0.000 1.241 568 W CB 1.630 31.372 29.460 0.470 0.000 1.279 568 W HN 0.874 nan 8.180 nan 0.000 0.436 569 D N 2.648 122.886 120.400 -0.269 0.000 2.744 569 D HA 0.153 4.793 4.640 -0.000 0.000 0.304 569 D C 0.821 176.982 176.300 -0.233 0.000 1.179 569 D CA -0.630 53.089 54.000 -0.467 0.000 1.024 569 D CB 0.364 40.479 40.800 -1.142 0.000 1.453 569 D HN 0.426 nan 8.370 nan 0.000 0.529 570 W N 0.584 121.648 121.300 -0.394 0.000 2.378 570 W HA 0.033 4.693 4.660 -0.000 0.000 0.313 570 W C -0.163 176.147 176.519 -0.349 0.000 1.197 570 W CA 1.538 58.675 57.345 -0.347 0.000 1.304 570 W CB 0.277 29.562 29.460 -0.292 0.000 1.148 570 W HN 0.278 nan 8.180 nan 0.000 0.494 571 V N -0.738 118.967 119.914 -0.348 0.000 3.113 571 V HA 0.415 4.535 4.120 -0.000 0.000 0.316 571 V C -0.739 175.130 176.094 -0.374 0.000 1.125 571 V CA -1.064 60.978 62.300 -0.430 0.000 1.026 571 V CB 1.414 33.078 31.823 -0.265 0.000 1.080 571 V HN -0.191 nan 8.190 nan 0.000 0.444 572 D N 1.591 121.808 120.400 -0.305 0.000 2.280 572 D HA 0.256 4.896 4.640 -0.000 0.000 0.243 572 D C -0.283 175.847 176.300 -0.282 0.000 1.129 572 D CA 0.198 54.056 54.000 -0.236 0.000 0.848 572 D CB 1.659 42.413 40.800 -0.077 0.000 1.107 572 D HN 0.619 nan 8.370 nan 0.000 0.471 573 Q N 1.712 121.267 119.800 -0.408 0.000 2.534 573 Q HA 0.224 4.564 4.340 -0.000 0.000 0.223 573 Q C -0.289 175.654 176.000 -0.095 0.000 1.239 573 Q CA -0.171 55.194 55.803 -0.729 0.000 0.936 573 Q CB 0.355 28.760 28.738 -0.555 0.000 1.457 573 Q HN 0.435 nan 8.270 nan 0.000 0.547 574 S N 1.527 117.318 115.700 0.152 0.000 2.638 574 S HA 0.766 5.236 4.470 -0.000 0.000 0.274 574 S C -1.178 173.505 174.600 0.139 0.000 1.157 574 S CA -0.951 57.416 58.200 0.278 0.000 0.826 574 S CB 1.167 64.468 63.200 0.168 0.000 1.139 574 S HN 0.311 nan 8.310 nan 0.000 0.474 575 L N 1.176 122.371 121.223 -0.047 0.000 2.385 575 L HA 0.601 4.940 4.340 -0.000 0.000 0.273 575 L C -0.264 176.424 176.870 -0.303 0.000 0.990 575 L CA -0.860 53.863 54.840 -0.195 0.000 0.821 575 L CB 1.299 43.169 42.059 -0.314 0.000 1.279 575 L HN 0.702 nan 8.230 nan 0.000 0.412 576 I N 3.094 123.457 120.570 -0.346 0.000 2.752 576 I HA -0.034 4.136 4.170 -0.000 0.000 0.286 576 I C 0.533 176.196 176.117 -0.757 0.000 1.180 576 I CA 0.821 61.814 61.300 -0.511 0.000 1.404 576 I CB 0.268 38.035 38.000 -0.388 0.000 1.389 576 I HN 0.727 nan 8.210 nan 0.000 0.549 577 K N 5.392 125.061 120.400 -1.219 0.000 2.401 577 K HA 0.633 4.953 4.320 -0.000 0.000 0.255 577 K C -1.579 174.241 176.600 -1.300 0.000 1.062 577 K CA -0.651 54.818 56.287 -1.363 0.000 0.999 577 K CB 1.387 32.716 32.500 -1.953 0.000 1.415 577 K HN 0.259 nan 8.250 nan 0.000 0.576 578 Y N 0.099 120.330 120.300 -0.114 0.000 2.552 578 Y HA 0.145 4.695 4.550 -0.000 0.000 0.337 578 Y C -0.917 175.245 175.900 0.436 0.000 1.094 578 Y CA -1.383 56.859 58.100 0.237 0.000 1.028 578 Y CB 1.409 39.918 38.460 0.082 0.000 1.321 578 Y HN 0.651 nan 8.280 nan 0.000 0.456 579 D N -0.843 119.839 120.400 0.471 0.000 2.487 579 D HA 0.302 4.942 4.640 -0.000 0.000 0.262 579 D C 0.430 176.820 176.300 0.151 0.000 1.130 579 D CA -0.636 53.499 54.000 0.225 0.000 1.038 579 D CB 0.795 41.635 40.800 0.068 0.000 1.142 579 D HN 0.621 nan 8.370 nan 0.000 0.575 580 E N -0.547 119.692 120.200 0.064 0.000 2.085 580 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 580 E C 1.231 177.851 176.600 0.034 0.000 0.994 580 E CA 1.024 57.445 56.400 0.036 0.000 0.801 580 E CB -0.329 29.372 29.700 0.002 0.000 0.743 580 E HN 0.380 nan 8.360 nan 0.000 0.453 581 N N 0.290 119.010 118.700 0.034 0.000 2.585 581 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 581 N C 1.025 176.567 175.510 0.054 0.000 1.102 581 N CA 1.186 54.255 53.050 0.032 0.000 0.920 581 N CB 0.310 38.810 38.487 0.023 0.000 0.963 581 N HN 0.342 nan 8.380 nan 0.000 0.447 582 G N 1.007 109.863 108.800 0.093 0.000 2.171 582 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.238 582 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.238 582 G C -0.526 174.513 174.900 0.231 0.000 1.039 582 G CA -0.481 44.686 45.100 0.112 0.000 0.759 582 G HN 0.302 nan 8.290 nan 0.000 0.501 583 N N 1.337 120.206 118.700 0.283 0.000 2.455 583 N HA 0.454 5.194 4.740 -0.000 0.000 0.280 583 N C -2.740 173.028 175.510 0.430 0.000 1.055 583 N CA -1.382 51.852 53.050 0.307 0.000 0.961 583 N CB 2.113 40.710 38.487 0.184 0.000 1.121 583 N HN 0.167 nan 8.380 nan 0.000 0.476 584 P HA 0.170 nan 4.420 nan 0.000 0.281 584 P C -0.552 176.721 177.300 -0.046 0.000 1.286 584 P CA -0.321 62.665 63.100 -0.190 0.000 0.772 584 P CB 0.171 31.771 31.700 -0.166 0.000 0.862 585 W N 1.429 122.516 121.300 -0.356 0.000 2.785 585 W HA 0.419 5.079 4.660 -0.000 0.000 0.333 585 W C -0.885 175.425 176.519 -0.348 0.000 1.062 585 W CA -1.283 55.866 57.345 -0.327 0.000 1.233 585 W CB 0.152 29.338 29.460 -0.457 0.000 1.413 585 W HN 0.141 nan 8.180 nan 0.000 0.489 586 S N 2.258 117.891 115.700 -0.112 0.000 2.629 586 S HA 0.302 4.772 4.470 -0.000 0.000 0.302 586 S C 0.403 174.940 174.600 -0.106 0.000 1.244 586 S CA 0.306 58.426 58.200 -0.133 0.000 1.098 586 S CB 0.014 63.215 63.200 0.002 0.000 0.858 586 S HN 0.593 nan 8.310 nan 0.000 0.502 587 A N 3.384 126.017 122.820 -0.311 0.000 2.312 587 A HA 0.794 5.114 4.320 -0.000 0.000 0.328 587 A C -0.458 177.243 177.584 0.194 0.000 1.158 587 A CA -0.788 51.101 52.037 -0.246 0.000 0.821 587 A CB 0.602 19.169 19.000 -0.721 0.000 1.170 587 A HN 0.828 nan 8.150 nan 0.000 0.490 588 Y N -0.158 120.315 120.300 0.289 0.000 2.773 588 Y HA 0.777 5.327 4.550 -0.000 0.000 0.323 588 Y C 0.658 176.901 175.900 0.571 0.000 1.183 588 Y CA -1.413 56.914 58.100 0.378 0.000 1.144 588 Y CB -0.070 38.486 38.460 0.159 0.000 1.340 588 Y HN 0.998 nan 8.280 nan 0.000 0.531 589 G N -0.085 109.159 108.800 0.739 0.000 2.765 589 G HA2 0.307 4.267 3.960 -0.000 0.000 0.230 589 G HA3 0.307 4.267 3.960 -0.000 0.000 0.230 589 G C 1.078 176.364 174.900 0.644 0.000 1.238 589 G CA 0.650 46.110 45.100 0.599 0.000 0.854 589 G HN 2.041 nan 8.290 nan 0.000 0.579 590 G N 1.052 110.181 108.800 0.549 0.000 2.480 590 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.246 590 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.246 590 G C 0.841 175.934 174.900 0.322 0.000 1.073 590 G CA 0.892 46.227 45.100 0.393 0.000 0.643 590 G HN 0.787 nan 8.290 nan 0.000 0.525 591 D N 0.163 120.733 120.400 0.285 0.000 2.488 591 D HA 0.338 4.978 4.640 -0.000 0.000 0.260 591 D C 0.829 176.886 176.300 -0.406 0.000 1.273 591 D CA 0.494 54.477 54.000 -0.028 0.000 0.912 591 D CB -0.495 40.204 40.800 -0.168 0.000 0.982 591 D HN 0.484 nan 8.370 nan 0.000 0.492 592 F N -1.719 118.314 119.950 0.138 0.000 3.064 592 F HA 0.233 4.760 4.527 -0.000 0.000 0.384 592 F C 1.796 177.666 175.800 0.117 0.000 1.083 592 F CA -0.007 58.049 58.000 0.093 0.000 1.037 592 F CB 0.920 39.969 39.000 0.082 0.000 1.322 592 F HN 0.074 nan 8.300 nan 0.000 0.535 593 G N 0.595 109.558 108.800 0.272 0.000 2.218 593 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 593 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 593 G C -0.206 174.835 174.900 0.234 0.000 0.994 593 G CA -0.150 45.075 45.100 0.208 0.000 0.637 593 G HN 0.379 nan 8.290 nan 0.000 0.505 594 D N 1.513 122.105 120.400 0.320 0.000 2.479 594 D HA 0.289 4.929 4.640 -0.000 0.000 0.257 594 D C -0.382 176.061 176.300 0.238 0.000 1.230 594 D CA 0.993 55.182 54.000 0.315 0.000 0.912 594 D CB 0.466 41.535 40.800 0.449 0.000 1.130 594 D HN 0.150 nan 8.370 nan 0.000 0.515 595 T N 3.581 118.242 114.554 0.180 0.000 2.937 595 T HA 0.425 4.775 4.350 -0.000 0.000 0.297 595 T C -2.196 172.558 174.700 0.091 0.000 0.991 595 T CA -1.048 61.128 62.100 0.126 0.000 0.990 595 T CB 1.842 70.779 68.868 0.114 0.000 0.991 595 T HN 0.352 nan 8.240 nan 0.000 0.440 596 P HA 0.555 nan 4.420 nan 0.000 0.278 596 P C -0.869 176.447 177.300 0.026 0.000 1.258 596 P CA -0.780 62.338 63.100 0.031 0.000 0.811 596 P CB 0.750 32.439 31.700 -0.019 0.000 1.063 597 N N -0.814 117.914 118.700 0.046 0.000 2.571 597 N HA 0.199 4.939 4.740 -0.000 0.000 0.273 597 N C -0.906 174.646 175.510 0.070 0.000 1.340 597 N CA -0.538 52.558 53.050 0.077 0.000 0.789 597 N CB 1.447 40.075 38.487 0.235 0.000 1.514 597 N HN 0.202 nan 8.380 nan 0.000 0.499 598 D N -0.425 120.089 120.400 0.189 0.000 2.440 598 D HA 0.167 4.807 4.640 -0.000 0.000 0.216 598 D C 0.275 176.816 176.300 0.401 0.000 1.150 598 D CA -0.165 53.986 54.000 0.251 0.000 0.832 598 D CB 1.134 41.946 40.800 0.020 0.000 0.992 598 D HN 0.565 nan 8.370 nan 0.000 0.502 599 R N 0.068 120.775 120.500 0.345 0.000 3.895 599 R HA -0.328 4.012 4.340 -0.000 0.000 0.431 599 R C 1.205 177.415 176.300 -0.150 0.000 0.241 599 R CA 1.319 57.553 56.100 0.225 0.000 1.369 599 R CB -1.435 28.914 30.300 0.082 0.000 1.017 599 R HN 0.042 nan 8.270 nan 0.000 0.556 600 Q N 0.500 119.899 119.800 -0.668 0.000 2.291 600 Q HA 0.012 4.352 4.340 -0.000 0.000 0.206 600 Q C 1.805 177.476 176.000 -0.549 0.000 0.976 600 Q CA 1.864 57.137 55.803 -0.882 0.000 0.875 600 Q CB -0.257 27.814 28.738 -1.112 0.000 0.927 600 Q HN 0.420 nan 8.270 nan 0.000 0.450 601 F N 0.994 120.770 119.950 -0.289 0.000 2.214 601 F HA -0.285 4.242 4.527 -0.000 0.000 0.302 601 F C 1.950 177.676 175.800 -0.123 0.000 1.063 601 F CA 1.197 59.138 58.000 -0.100 0.000 1.319 601 F CB -0.508 38.523 39.000 0.051 0.000 1.046 601 F HN 0.362 nan 8.300 nan 0.000 0.505 602 C N -1.527 117.533 119.300 -0.399 0.000 2.576 602 C HA 0.309 4.769 4.460 -0.000 0.000 0.267 602 C C 0.831 175.640 174.990 -0.303 0.000 1.364 602 C CA -0.622 58.081 59.018 -0.525 0.000 1.723 602 C CB -1.953 24.978 27.740 -1.348 0.000 1.778 602 C HN 0.196 nan 8.230 nan 0.000 0.572 603 M N 3.022 122.462 119.600 -0.266 0.000 2.181 603 M HA 0.378 4.858 4.480 -0.000 0.000 0.323 603 M C -0.264 175.888 176.300 -0.247 0.000 1.004 603 M CA 0.191 55.354 55.300 -0.228 0.000 0.941 603 M CB 1.017 33.510 32.600 -0.178 0.000 1.579 603 M HN 0.252 nan 8.290 nan 0.000 0.427 604 N N 1.619 120.170 118.700 -0.248 0.000 2.127 604 N HA 0.094 4.834 4.740 -0.000 0.000 0.229 604 N C 0.077 175.382 175.510 -0.341 0.000 1.374 604 N CA -0.189 52.692 53.050 -0.282 0.000 0.763 604 N CB 0.818 39.251 38.487 -0.091 0.000 1.269 604 N HN 0.762 nan 8.380 nan 0.000 0.516 605 G N 0.420 108.963 108.800 -0.430 0.000 2.599 605 G HA2 0.467 4.427 3.960 -0.000 0.000 0.264 605 G HA3 0.467 4.427 3.960 -0.000 0.000 0.264 605 G C 0.640 175.074 174.900 -0.776 0.000 1.200 605 G CA -0.393 44.370 45.100 -0.562 0.000 0.896 605 G HN 0.135 nan 8.290 nan 0.000 0.536 606 L N -0.073 120.702 121.223 -0.747 0.000 2.741 606 L HA 0.298 4.638 4.340 -0.000 0.000 0.237 606 L C -0.006 176.284 176.870 -0.966 0.000 1.178 606 L CA -0.152 54.255 54.840 -0.722 0.000 0.973 606 L CB -0.136 41.695 42.059 -0.380 0.000 1.255 606 L HN 0.371 nan 8.230 nan 0.000 0.498 607 V N -5.528 113.656 119.914 -1.218 0.000 3.077 607 V HA 0.491 4.611 4.120 -0.000 0.000 0.299 607 V C -0.715 174.943 176.094 -0.727 0.000 1.276 607 V CA -1.034 60.688 62.300 -0.964 0.000 0.993 607 V CB 1.538 32.823 31.823 -0.897 0.000 1.076 607 V HN -0.099 nan 8.190 nan 0.000 0.434 608 F N 2.344 122.190 119.950 -0.172 0.000 2.429 608 F HA 0.684 5.211 4.527 -0.000 0.000 0.348 608 F C 1.896 177.601 175.800 -0.157 0.000 1.109 608 F CA 0.371 58.346 58.000 -0.042 0.000 1.232 608 F CB 1.340 40.340 39.000 0.001 0.000 1.157 608 F HN 0.910 nan 8.300 nan 0.000 0.564 609 A N 1.752 124.620 122.820 0.080 0.000 2.038 609 A HA -0.339 3.981 4.320 -0.000 0.000 0.224 609 A C 1.731 179.259 177.584 -0.092 0.000 1.190 609 A CA 2.419 54.448 52.037 -0.014 0.000 0.668 609 A CB -1.230 17.784 19.000 0.023 0.000 0.820 609 A HN 0.864 nan 8.150 nan 0.000 0.474 610 D N -3.373 116.998 120.400 -0.049 0.000 2.363 610 D HA 0.131 4.771 4.640 -0.000 0.000 0.226 610 D C 0.661 176.929 176.300 -0.053 0.000 1.020 610 D CA 0.416 54.367 54.000 -0.081 0.000 0.892 610 D CB -0.078 40.684 40.800 -0.063 0.000 0.900 610 D HN 0.284 nan 8.370 nan 0.000 0.531 611 R N -1.194 119.270 120.500 -0.061 0.000 3.624 611 R HA -0.099 4.241 4.340 -0.000 0.000 0.315 611 R C -0.691 175.580 176.300 -0.048 0.000 1.153 611 R CA 0.982 57.028 56.100 -0.091 0.000 0.827 611 R CB -3.307 26.975 30.300 -0.030 0.000 1.406 611 R HN 0.542 nan 8.270 nan 0.000 0.479 612 T N -2.077 112.496 114.554 0.031 0.000 2.794 612 T HA 0.735 5.085 4.350 -0.000 0.000 0.280 612 T C -2.418 172.334 174.700 0.087 0.000 0.987 612 T CA -2.345 59.818 62.100 0.105 0.000 0.993 612 T CB 2.606 71.580 68.868 0.177 0.000 0.939 612 T HN -0.189 nan 8.240 nan 0.000 0.449 613 P HA 0.228 nan 4.420 nan 0.000 0.269 613 P C -0.437 176.808 177.300 -0.092 0.000 1.215 613 P CA -0.163 62.867 63.100 -0.118 0.000 0.780 613 P CB 0.305 31.966 31.700 -0.065 0.000 0.898 614 H N 1.931 120.719 119.070 -0.470 0.000 2.508 614 H HA 0.270 4.826 4.556 -0.000 0.000 0.344 614 H C -1.376 173.801 175.328 -0.251 0.000 1.192 614 H CA -2.149 53.620 56.048 -0.465 0.000 1.290 614 H CB -0.188 29.306 29.762 -0.447 0.000 1.571 614 H HN 0.285 nan 8.280 nan 0.000 0.555 615 P HA 0.082 nan 4.420 nan 0.000 0.249 615 P C 0.594 177.865 177.300 -0.048 0.000 1.229 615 P CA 0.603 63.660 63.100 -0.071 0.000 0.788 615 P CB 0.142 31.786 31.700 -0.093 0.000 1.072 616 A N 0.480 123.270 122.820 -0.049 0.000 1.930 616 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 616 A C 2.001 179.518 177.584 -0.111 0.000 1.176 616 A CA 0.770 52.745 52.037 -0.104 0.000 0.632 616 A CB -1.480 17.433 19.000 -0.146 0.000 0.819 616 A HN 0.168 nan 8.150 nan 0.000 0.445 617 L N 0.645 121.821 121.223 -0.078 0.000 2.197 617 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 617 L C 2.233 179.138 176.870 0.059 0.000 1.095 617 L CA 2.785 57.620 54.840 -0.008 0.000 0.764 617 L CB -0.866 41.178 42.059 -0.025 0.000 0.897 617 L HN 0.445 nan 8.230 nan 0.000 0.436 618 T N -2.015 112.566 114.554 0.045 0.000 2.904 618 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 618 T C 1.672 176.461 174.700 0.148 0.000 1.059 618 T CA 1.088 63.265 62.100 0.128 0.000 1.137 618 T CB -0.147 68.775 68.868 0.089 0.000 0.879 618 T HN 0.342 nan 8.240 nan 0.000 0.467 619 E N 1.900 122.126 120.200 0.044 0.000 2.047 619 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 619 E C 2.334 178.972 176.600 0.063 0.000 0.987 619 E CA 1.232 57.668 56.400 0.059 0.000 0.799 619 E CB -0.656 29.029 29.700 -0.026 0.000 0.752 619 E HN 0.412 nan 8.360 nan 0.000 0.449 620 A N 1.222 123.976 122.820 -0.110 0.000 1.873 620 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 620 A C 2.198 179.740 177.584 -0.070 0.000 1.193 620 A CA 2.370 54.388 52.037 -0.032 0.000 0.629 620 A CB -0.815 18.165 19.000 -0.034 0.000 0.826 620 A HN 0.311 nan 8.150 nan 0.000 0.447 621 K N -1.303 119.104 120.400 0.011 0.000 2.160 621 K HA -0.262 4.058 4.320 -0.000 0.000 0.206 621 K C 2.062 178.540 176.600 -0.203 0.000 1.047 621 K CA 1.885 58.154 56.287 -0.030 0.000 0.930 621 K CB -0.363 32.243 32.500 0.178 0.000 0.720 621 K HN 0.772 nan 8.250 nan 0.000 0.450 622 H N -0.478 118.428 119.070 -0.273 0.000 2.372 622 H HA -0.002 4.553 4.556 -0.000 0.000 0.301 622 H C 1.712 176.773 175.328 -0.446 0.000 1.065 622 H CA 1.056 56.785 56.048 -0.532 0.000 1.364 622 H CB 0.420 29.932 29.762 -0.417 0.000 1.406 622 H HN 0.282 nan 8.280 nan 0.000 0.521 623 Q N 0.662 120.218 119.800 -0.408 0.000 2.167 623 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 623 Q C 1.844 177.310 176.000 -0.890 0.000 0.970 623 Q CA 1.081 56.572 55.803 -0.518 0.000 0.855 623 Q CB -0.095 28.475 28.738 -0.280 0.000 0.911 623 Q HN 0.700 nan 8.270 nan 0.000 0.438 624 Q N 1.009 120.234 119.800 -0.958 0.000 2.403 624 Q HA 0.005 4.345 4.340 -0.000 0.000 0.203 624 Q C 0.146 175.501 176.000 -1.075 0.000 0.932 624 Q CA -0.228 54.879 55.803 -1.160 0.000 0.945 624 Q CB 0.047 28.123 28.738 -1.103 0.000 1.045 624 Q HN 0.446 nan 8.270 nan 0.000 0.511 625 Q N -0.327 118.957 119.800 -0.860 0.000 2.469 625 Q HA -0.067 4.273 4.340 -0.000 0.000 0.279 625 Q C -0.379 175.034 176.000 -0.978 0.000 1.097 625 Q CA 0.371 55.709 55.803 -0.774 0.000 0.951 625 Q CB 0.255 28.726 28.738 -0.444 0.000 1.297 625 Q HN 0.167 nan 8.270 nan 0.000 0.465 626 F N -0.148 119.512 119.950 -0.482 0.000 2.693 626 F HA 0.343 4.870 4.527 -0.000 0.000 0.303 626 F C -0.432 174.776 175.800 -0.987 0.000 1.097 626 F CA -0.282 57.179 58.000 -0.898 0.000 1.330 626 F CB 0.256 38.285 39.000 -1.618 0.000 1.067 626 F HN 0.318 nan 8.300 nan 0.000 0.565 627 F N -0.283 119.496 119.950 -0.285 0.000 2.577 627 F HA 0.577 5.104 4.527 -0.000 0.000 0.318 627 F C -0.247 175.208 175.800 -0.575 0.000 1.065 627 F CA -1.111 56.660 58.000 -0.381 0.000 0.929 627 F CB 1.473 40.267 39.000 -0.343 0.000 1.237 627 F HN -0.327 nan 8.300 nan 0.000 0.468 628 Q N 2.095 121.605 119.800 -0.483 0.000 2.372 628 Q HA 0.524 4.864 4.340 -0.000 0.000 0.273 628 Q C -1.659 173.982 176.000 -0.599 0.000 1.078 628 Q CA -0.679 54.850 55.803 -0.457 0.000 0.806 628 Q CB 3.236 31.867 28.738 -0.178 0.000 1.332 628 Q HN 0.522 nan 8.270 nan 0.000 0.435 629 F N 0.282 120.355 119.950 0.206 0.000 2.522 629 F HA 0.632 5.159 4.527 -0.000 0.000 0.324 629 F C 0.354 176.380 175.800 0.376 0.000 1.077 629 F CA -0.881 57.322 58.000 0.339 0.000 0.944 629 F CB 1.796 41.126 39.000 0.550 0.000 1.175 629 F HN 0.133 nan 8.300 nan 0.000 0.468 630 R N 2.142 122.914 120.500 0.453 0.000 2.510 630 R HA 0.492 4.832 4.340 -0.000 0.000 0.294 630 R C -1.973 174.299 176.300 -0.045 0.000 1.056 630 R CA -0.925 55.316 56.100 0.236 0.000 0.918 630 R CB 2.327 32.705 30.300 0.130 0.000 1.187 630 R HN 0.658 nan 8.270 nan 0.000 0.437 631 L N 1.833 122.853 121.223 -0.339 0.000 2.295 631 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 631 L C -0.942 175.702 176.870 -0.377 0.000 1.035 631 L CA 0.287 54.712 54.840 -0.691 0.000 0.806 631 L CB 1.940 43.027 42.059 -1.621 0.000 1.214 631 L HN 0.451 nan 8.230 nan 0.000 0.426 632 S N 3.400 118.931 115.700 -0.283 0.000 2.689 632 S HA 0.715 5.185 4.470 -0.000 0.000 0.274 632 S C 0.055 174.557 174.600 -0.163 0.000 1.176 632 S CA -0.110 57.984 58.200 -0.178 0.000 1.014 632 S CB 1.113 64.249 63.200 -0.108 0.000 1.071 632 S HN 1.367 nan 8.310 nan 0.000 0.478 633 G N 3.683 112.395 108.800 -0.147 0.000 2.550 633 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.277 633 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.277 633 G C -0.009 174.799 174.900 -0.154 0.000 1.190 633 G CA 0.641 45.667 45.100 -0.124 0.000 0.971 633 G HN 0.668 nan 8.290 nan 0.000 0.559 634 Q N 0.898 120.615 119.800 -0.139 0.000 2.220 634 Q HA 0.369 4.709 4.340 -0.000 0.000 0.205 634 Q C 0.635 176.518 176.000 -0.195 0.000 0.865 634 Q CA 0.873 56.574 55.803 -0.170 0.000 0.960 634 Q CB 0.443 29.092 28.738 -0.149 0.000 1.097 634 Q HN 0.612 nan 8.270 nan 0.000 0.493 635 T N 0.441 114.889 114.554 -0.177 0.000 2.837 635 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 635 T C 0.055 174.642 174.700 -0.189 0.000 0.984 635 T CA -0.537 61.469 62.100 -0.156 0.000 1.049 635 T CB 1.186 69.993 68.868 -0.103 0.000 0.947 635 T HN 0.078 nan 8.240 nan 0.000 0.472 636 I N 1.917 122.402 120.570 -0.141 0.000 2.441 636 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 636 I C 0.328 176.460 176.117 0.025 0.000 0.994 636 I CA -0.748 60.494 61.300 -0.098 0.000 1.144 636 I CB 1.930 39.916 38.000 -0.023 0.000 1.314 636 I HN 0.605 nan 8.210 nan 0.000 0.445 637 E N 5.694 125.940 120.200 0.077 0.000 2.101 637 E HA 0.410 4.760 4.350 -0.000 0.000 0.260 637 E C -1.267 175.414 176.600 0.135 0.000 0.897 637 E CA -0.567 55.886 56.400 0.088 0.000 0.744 637 E CB 1.370 31.096 29.700 0.044 0.000 1.140 637 E HN 0.386 nan 8.360 nan 0.000 0.419 638 V N 3.072 123.059 119.914 0.121 0.000 2.644 638 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 638 V C 0.277 176.384 176.094 0.022 0.000 1.053 638 V CA -0.443 61.887 62.300 0.050 0.000 0.987 638 V CB 1.680 33.562 31.823 0.098 0.000 1.006 638 V HN 0.635 nan 8.190 nan 0.000 0.472 639 T N 2.545 117.084 114.554 -0.024 0.000 2.949 639 T HA 0.270 4.620 4.350 -0.000 0.000 0.300 639 T C -0.255 174.434 174.700 -0.018 0.000 0.988 639 T CA -0.202 61.889 62.100 -0.016 0.000 0.993 639 T CB 1.506 70.344 68.868 -0.050 0.000 0.984 639 T HN 0.753 nan 8.240 nan 0.000 0.442 640 S N 1.800 117.496 115.700 -0.006 0.000 2.576 640 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 640 S C 0.818 175.300 174.600 -0.198 0.000 1.339 640 S CA -0.218 57.907 58.200 -0.125 0.000 1.039 640 S CB 0.515 63.700 63.200 -0.025 0.000 0.902 640 S HN 0.737 nan 8.310 nan 0.000 0.516 641 E N 2.144 122.135 120.200 -0.349 0.000 2.603 641 E HA 0.108 4.458 4.350 -0.000 0.000 0.211 641 E C -1.124 175.299 176.600 -0.294 0.000 0.995 641 E CA -0.082 56.168 56.400 -0.250 0.000 0.990 641 E CB 0.462 30.045 29.700 -0.195 0.000 1.036 641 E HN 0.601 nan 8.360 nan 0.000 0.475 642 Y N 0.721 120.843 120.300 -0.297 0.000 2.316 642 Y HA 0.119 4.669 4.550 -0.000 0.000 0.331 642 Y C 1.326 176.986 175.900 -0.401 0.000 1.083 642 Y CA -0.136 57.719 58.100 -0.408 0.000 1.206 642 Y CB 0.755 38.980 38.460 -0.392 0.000 1.195 642 Y HN -0.022 nan 8.280 nan 0.000 0.497 643 L N 1.803 122.763 121.223 -0.438 0.000 2.162 643 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 643 L C 0.946 177.300 176.870 -0.861 0.000 1.086 643 L CA 1.113 55.453 54.840 -0.833 0.000 0.778 643 L CB -0.211 40.916 42.059 -1.552 0.000 0.928 643 L HN 0.542 nan 8.230 nan 0.000 0.446 644 F N -0.187 119.729 119.950 -0.055 0.000 2.480 644 F HA 0.170 4.697 4.527 -0.000 0.000 0.280 644 F C 1.454 177.191 175.800 -0.104 0.000 1.002 644 F CA -0.869 57.077 58.000 -0.089 0.000 1.325 644 F CB -0.654 38.275 39.000 -0.118 0.000 1.134 644 F HN -0.122 nan 8.300 nan 0.000 0.646 645 R N 0.709 121.160 120.500 -0.082 0.000 2.738 645 R HA 0.224 4.564 4.340 -0.000 0.000 0.268 645 R C -0.831 175.410 176.300 -0.098 0.000 1.062 645 R CA -0.368 55.623 56.100 -0.182 0.000 1.158 645 R CB -0.017 30.069 30.300 -0.357 0.000 1.046 645 R HN 0.267 nan 8.270 nan 0.000 0.493 646 H N 0.283 119.289 119.070 -0.108 0.000 2.457 646 H HA 0.148 4.704 4.556 -0.000 0.000 0.335 646 H C -0.245 175.081 175.328 -0.002 0.000 1.115 646 H CA -0.433 55.603 56.048 -0.021 0.000 1.219 646 H CB 1.385 31.153 29.762 0.009 0.000 1.471 646 H HN 0.776 nan 8.280 nan 0.000 0.491 647 S N 2.963 118.539 115.700 -0.207 0.000 3.638 647 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 647 S C 0.180 174.899 174.600 0.199 0.000 1.069 647 S CA 0.108 58.349 58.200 0.069 0.000 1.170 647 S CB -0.837 62.412 63.200 0.082 0.000 1.603 647 S HN 0.752 nan 8.310 nan 0.000 0.518 648 D N 0.595 121.127 120.400 0.220 0.000 2.349 648 D HA 0.050 4.690 4.640 -0.000 0.000 0.214 648 D C 0.479 176.854 176.300 0.125 0.000 1.063 648 D CA -0.052 54.070 54.000 0.203 0.000 0.847 648 D CB -0.214 40.678 40.800 0.153 0.000 0.933 648 D HN 0.526 nan 8.370 nan 0.000 0.513 649 N N 0.118 118.893 118.700 0.125 0.000 2.646 649 N HA 0.151 4.891 4.740 -0.000 0.000 0.296 649 N C -1.527 174.056 175.510 0.123 0.000 1.886 649 N CA -0.211 52.901 53.050 0.103 0.000 0.855 649 N CB 0.324 38.864 38.487 0.088 0.000 1.336 649 N HN -0.115 nan 8.380 nan 0.000 0.496 650 E N 0.098 120.363 120.200 0.108 0.000 2.246 650 E HA 0.444 4.794 4.350 -0.000 0.000 0.266 650 E C -1.562 175.044 176.600 0.010 0.000 0.880 650 E CA -0.597 55.846 56.400 0.072 0.000 0.762 650 E CB 1.877 31.621 29.700 0.072 0.000 1.180 650 E HN 0.088 nan 8.360 nan 0.000 0.416 651 L N 3.419 124.617 121.223 -0.041 0.000 2.362 651 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 651 L C -1.580 175.193 176.870 -0.162 0.000 0.998 651 L CA -0.959 53.815 54.840 -0.109 0.000 0.820 651 L CB 1.604 43.551 42.059 -0.188 0.000 1.270 651 L HN 0.572 nan 8.230 nan 0.000 0.415 652 L N 4.838 126.012 121.223 -0.082 0.000 2.276 652 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 652 L C -0.760 176.168 176.870 0.095 0.000 1.024 652 L CA 0.030 54.876 54.840 0.009 0.000 0.826 652 L CB 0.619 42.752 42.059 0.122 0.000 1.211 652 L HN 0.607 nan 8.230 nan 0.000 0.422 653 H N 5.705 124.840 119.070 0.109 0.000 2.488 653 H HA 0.431 4.987 4.556 -0.000 0.000 0.322 653 H C -1.036 174.357 175.328 0.108 0.000 1.078 653 H CA -0.639 55.424 56.048 0.026 0.000 1.260 653 H CB 0.779 30.523 29.762 -0.030 0.000 1.425 653 H HN 0.659 nan 8.280 nan 0.000 0.471 654 W N 4.460 125.864 121.300 0.173 0.000 2.902 654 W HA 0.627 5.287 4.660 -0.000 0.000 0.346 654 W C -1.594 174.977 176.519 0.086 0.000 1.139 654 W CA -1.369 56.045 57.345 0.116 0.000 1.139 654 W CB 1.776 31.300 29.460 0.106 0.000 1.439 654 W HN 0.483 nan 8.180 nan 0.000 0.558 655 M N 2.258 122.137 119.600 0.465 0.000 2.366 655 M HA 0.317 4.797 4.480 -0.000 0.000 0.287 655 M C -2.540 173.965 176.300 0.341 0.000 1.083 655 M CA -0.339 55.111 55.300 0.251 0.000 0.934 655 M CB 1.697 34.245 32.600 -0.087 0.000 1.852 655 M HN 0.224 nan 8.290 nan 0.000 0.502 656 V N 3.767 123.904 119.914 0.372 0.000 2.406 656 V HA 0.864 4.984 4.120 -0.000 0.000 0.272 656 V C 0.236 176.440 176.094 0.182 0.000 1.043 656 V CA -0.036 62.439 62.300 0.292 0.000 0.915 656 V CB 0.842 32.846 31.823 0.302 0.000 0.988 656 V HN 0.874 nan 8.190 nan 0.000 0.466 657 A N 5.208 128.135 122.820 0.179 0.000 2.422 657 A HA 0.819 5.139 4.320 -0.000 0.000 0.302 657 A C -1.208 176.474 177.584 0.164 0.000 1.041 657 A CA -0.613 51.493 52.037 0.115 0.000 0.708 657 A CB 1.553 20.575 19.000 0.037 0.000 1.257 657 A HN 0.838 nan 8.150 nan 0.000 0.414 658 L N 1.998 123.292 121.223 0.119 0.000 2.262 658 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 658 L C -0.247 176.696 176.870 0.122 0.000 1.035 658 L CA 0.296 55.223 54.840 0.145 0.000 0.820 658 L CB 0.234 42.358 42.059 0.109 0.000 1.204 658 L HN 0.791 nan 8.230 nan 0.000 0.424 659 D N 4.512 125.032 120.400 0.200 0.000 2.860 659 D HA -0.237 4.403 4.640 -0.000 0.000 0.229 659 D C 1.017 177.307 176.300 -0.017 0.000 1.169 659 D CA 1.509 55.608 54.000 0.166 0.000 0.737 659 D CB -1.040 39.846 40.800 0.144 0.000 1.080 659 D HN 1.198 nan 8.370 nan 0.000 0.424 660 G N -0.697 108.055 108.800 -0.080 0.000 2.148 660 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.203 660 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.203 660 G C 0.192 175.004 174.900 -0.146 0.000 0.993 660 G CA 0.179 45.146 45.100 -0.222 0.000 0.661 660 G HN 0.380 nan 8.290 nan 0.000 0.518 661 K N 1.787 122.150 120.400 -0.061 0.000 2.300 661 K HA 0.484 4.804 4.320 -0.000 0.000 0.264 661 K C -2.415 174.171 176.600 -0.023 0.000 1.083 661 K CA -2.073 54.190 56.287 -0.042 0.000 0.958 661 K CB 1.259 33.755 32.500 -0.007 0.000 1.318 661 K HN 0.014 nan 8.250 nan 0.000 0.448 662 P HA -0.119 nan 4.420 nan 0.000 0.255 662 P C 0.025 177.319 177.300 -0.010 0.000 1.173 662 P CA 0.575 63.650 63.100 -0.041 0.000 0.780 662 P CB 0.444 32.097 31.700 -0.078 0.000 0.758 663 L N 2.352 123.593 121.223 0.029 0.000 2.194 663 L HA 0.279 4.619 4.340 -0.000 0.000 0.197 663 L C 1.176 178.071 176.870 0.043 0.000 1.106 663 L CA 0.918 55.786 54.840 0.047 0.000 0.785 663 L CB -0.548 41.559 42.059 0.080 0.000 0.960 663 L HN 0.302 nan 8.230 nan 0.000 0.465 664 A N -1.108 121.759 122.820 0.079 0.000 2.479 664 A HA 0.756 5.076 4.320 -0.000 0.000 0.296 664 A C -0.795 176.719 177.584 -0.117 0.000 1.121 664 A CA -0.298 51.776 52.037 0.061 0.000 0.743 664 A CB 2.076 21.209 19.000 0.221 0.000 1.323 664 A HN 0.093 nan 8.150 nan 0.000 0.415 665 S N -1.859 113.560 115.700 -0.468 0.000 2.671 665 S HA 0.934 5.404 4.470 -0.000 0.000 0.277 665 S C -0.366 173.314 174.600 -1.534 0.000 1.165 665 S CA -0.009 57.560 58.200 -1.052 0.000 0.822 665 S CB 2.188 65.041 63.200 -0.579 0.000 1.150 665 S HN 2.095 nan 8.310 nan 0.000 0.479 666 G N 0.622 108.313 108.800 -1.849 0.000 2.519 666 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 666 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 666 G C -2.545 172.031 174.900 -0.540 0.000 1.507 666 G CA -0.806 43.663 45.100 -1.052 0.000 0.806 666 G HN 0.588 nan 8.290 nan 0.000 0.523 667 E N -0.344 119.885 120.200 0.049 0.000 2.234 667 E HA 0.656 5.006 4.350 -0.000 0.000 0.266 667 E C -1.182 175.574 176.600 0.260 0.000 0.877 667 E CA -1.005 55.553 56.400 0.263 0.000 0.758 667 E CB 3.149 33.069 29.700 0.367 0.000 1.170 667 E HN 0.323 nan 8.360 nan 0.000 0.415 668 V N 2.907 122.973 119.914 0.253 0.000 2.841 668 V HA 0.462 4.582 4.120 -0.000 0.000 0.310 668 V C -2.467 173.697 176.094 0.116 0.000 1.090 668 V CA -2.100 60.316 62.300 0.192 0.000 0.930 668 V CB 2.407 34.360 31.823 0.216 0.000 1.014 668 V HN 0.638 nan 8.190 nan 0.000 0.425 669 P HA 0.361 nan 4.420 nan 0.000 0.293 669 P C -0.719 176.624 177.300 0.071 0.000 1.300 669 P CA -0.306 62.835 63.100 0.068 0.000 0.792 669 P CB 1.008 32.753 31.700 0.074 0.000 0.925 670 L N 3.224 124.476 121.223 0.048 0.000 2.380 670 L HA 0.195 4.535 4.340 -0.000 0.000 0.273 670 L C 0.631 177.547 176.870 0.077 0.000 1.138 670 L CA 0.547 55.411 54.840 0.040 0.000 0.832 670 L CB 0.347 42.385 42.059 -0.036 0.000 1.124 670 L HN 0.467 nan 8.230 nan 0.000 0.454 671 D N 2.926 123.372 120.400 0.077 0.000 2.621 671 D HA 0.345 4.985 4.640 -0.000 0.000 0.274 671 D C -1.041 175.259 176.300 -0.001 0.000 1.215 671 D CA -0.393 53.682 54.000 0.125 0.000 0.810 671 D CB 0.818 41.755 40.800 0.229 0.000 1.248 671 D HN 0.138 nan 8.370 nan 0.000 0.517 672 V N 0.114 119.890 119.914 -0.231 0.000 2.581 672 V HA 0.954 5.074 4.120 -0.000 0.000 0.303 672 V C 0.717 176.488 176.094 -0.539 0.000 1.041 672 V CA -1.138 61.042 62.300 -0.199 0.000 0.907 672 V CB 1.267 33.102 31.823 0.021 0.000 0.994 672 V HN 0.456 nan 8.190 nan 0.000 0.442 673 A N 4.475 127.220 122.820 -0.125 0.000 2.286 673 A HA 0.833 5.153 4.320 -0.000 0.000 0.286 673 A C -2.448 175.143 177.584 0.012 0.000 1.097 673 A CA -1.778 50.296 52.037 0.062 0.000 0.821 673 A CB -0.028 19.050 19.000 0.130 0.000 1.076 673 A HN 0.767 nan 8.150 nan 0.000 0.490 674 P HA 0.136 nan 4.420 nan 0.000 0.266 674 P C -0.319 176.969 177.300 -0.021 0.000 1.195 674 P CA 0.408 63.506 63.100 -0.004 0.000 0.768 674 P CB 0.306 31.990 31.700 -0.026 0.000 0.838 675 Q N -1.017 118.753 119.800 -0.050 0.000 2.422 675 Q HA -0.207 4.133 4.340 -0.000 0.000 0.245 675 Q C 0.769 176.756 176.000 -0.022 0.000 0.922 675 Q CA 0.950 56.722 55.803 -0.052 0.000 1.192 675 Q CB -1.774 26.928 28.738 -0.061 0.000 1.641 675 Q HN 0.763 nan 8.270 nan 0.000 0.552 676 G N 0.324 109.122 108.800 -0.005 0.000 2.547 676 G HA2 0.517 4.477 3.960 -0.000 0.000 0.291 676 G HA3 0.517 4.477 3.960 -0.000 0.000 0.291 676 G C -0.591 174.320 174.900 0.018 0.000 1.211 676 G CA -0.530 44.578 45.100 0.014 0.000 0.950 676 G HN 0.007 nan 8.290 nan 0.000 0.504 677 K N 0.195 120.611 120.400 0.027 0.000 2.463 677 K HA 0.277 4.597 4.320 -0.000 0.000 0.255 677 K C -0.677 175.949 176.600 0.042 0.000 0.942 677 K CA -0.404 55.901 56.287 0.030 0.000 0.814 677 K CB 2.123 34.636 32.500 0.022 0.000 1.122 677 K HN 0.520 nan 8.250 nan 0.000 0.425 678 Q N 3.958 123.791 119.800 0.054 0.000 2.309 678 Q HA 0.407 4.747 4.340 -0.000 0.000 0.264 678 Q C -1.158 174.876 176.000 0.057 0.000 1.008 678 Q CA -0.777 55.061 55.803 0.059 0.000 0.853 678 Q CB 1.261 30.040 28.738 0.068 0.000 1.314 678 Q HN 0.525 nan 8.270 nan 0.000 0.448 679 L N 5.714 126.963 121.223 0.044 0.000 2.283 679 L HA 0.451 4.791 4.340 -0.000 0.000 0.281 679 L C -0.489 176.393 176.870 0.021 0.000 1.033 679 L CA -0.430 54.426 54.840 0.027 0.000 0.848 679 L CB 0.787 42.854 42.059 0.013 0.000 1.226 679 L HN 0.579 nan 8.230 nan 0.000 0.429 680 I N 3.106 123.686 120.570 0.016 0.000 2.321 680 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 680 I C 0.321 176.400 176.117 -0.064 0.000 0.998 680 I CA -0.359 60.938 61.300 -0.006 0.000 1.227 680 I CB 1.631 39.640 38.000 0.015 0.000 1.368 680 I HN 0.556 nan 8.210 nan 0.000 0.466 681 E N 6.199 126.359 120.200 -0.065 0.000 2.197 681 E HA 0.466 4.816 4.350 -0.000 0.000 0.281 681 E C -0.778 175.726 176.600 -0.159 0.000 0.995 681 E CA -0.663 55.676 56.400 -0.101 0.000 0.808 681 E CB 1.744 31.403 29.700 -0.068 0.000 1.093 681 E HN 0.455 nan 8.360 nan 0.000 0.394 682 L N 4.448 125.536 121.223 -0.225 0.000 2.456 682 L HA 0.405 4.745 4.340 -0.000 0.000 0.257 682 L C -1.868 174.891 176.870 -0.184 0.000 1.162 682 L CA -1.764 52.884 54.840 -0.320 0.000 0.808 682 L CB 0.219 42.009 42.059 -0.449 0.000 1.136 682 L HN 0.394 nan 8.230 nan 0.000 0.466 683 P HA 0.195 nan 4.420 nan 0.000 0.283 683 P C -0.872 176.401 177.300 -0.046 0.000 1.278 683 P CA -0.834 62.237 63.100 -0.048 0.000 0.834 683 P CB 0.587 32.311 31.700 0.039 0.000 1.150 684 E N 0.086 120.279 120.200 -0.011 0.000 2.653 684 E HA -0.020 4.330 4.350 -0.000 0.000 0.264 684 E C -0.380 176.225 176.600 0.009 0.000 0.949 684 E CA 0.441 56.837 56.400 -0.006 0.000 0.953 684 E CB 0.159 29.864 29.700 0.008 0.000 0.925 684 E HN 0.262 nan 8.360 nan 0.000 0.475 685 L N 4.421 125.644 121.223 0.000 0.000 2.347 685 L HA 0.517 4.857 4.340 -0.000 0.000 0.268 685 L C -1.991 174.904 176.870 0.041 0.000 1.019 685 L CA -2.227 52.630 54.840 0.028 0.000 0.806 685 L CB 0.894 42.957 42.059 0.007 0.000 1.339 685 L HN 0.495 nan 8.230 nan 0.000 0.463 686 P HA 0.190 nan 4.420 nan 0.000 0.279 686 P C -1.592 175.735 177.300 0.044 0.000 1.239 686 P CA -0.374 62.760 63.100 0.057 0.000 0.789 686 P CB 0.646 32.390 31.700 0.073 0.000 0.933 687 Q N 2.403 122.224 119.800 0.035 0.000 2.798 687 Q HA 0.309 4.649 4.340 -0.000 0.000 0.250 687 Q C -2.136 173.882 176.000 0.029 0.000 1.006 687 Q CA -1.604 54.216 55.803 0.027 0.000 0.759 687 Q CB 0.861 29.610 28.738 0.018 0.000 1.201 687 Q HN 0.424 nan 8.270 nan 0.000 0.486 688 P HA 0.062 nan 4.420 nan 0.000 0.272 688 P C 0.122 177.440 177.300 0.031 0.000 1.223 688 P CA -0.089 63.033 63.100 0.036 0.000 0.784 688 P CB 1.382 33.110 31.700 0.046 0.000 0.923 689 E N -0.178 120.039 120.200 0.029 0.000 2.175 689 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 689 E C 0.204 176.822 176.600 0.031 0.000 0.934 689 E CA 0.053 56.469 56.400 0.026 0.000 0.870 689 E CB -0.383 29.330 29.700 0.022 0.000 0.838 689 E HN 0.413 nan 8.360 nan 0.000 0.474 690 S N 2.130 117.850 115.700 0.033 0.000 2.593 690 S HA 0.090 4.560 4.470 -0.000 0.000 0.303 690 S C 0.344 174.971 174.600 0.045 0.000 1.267 690 S CA 0.062 58.284 58.200 0.038 0.000 1.047 690 S CB 0.344 63.568 63.200 0.039 0.000 0.777 690 S HN 0.393 nan 8.310 nan 0.000 0.498 691 A N 2.388 125.237 122.820 0.048 0.000 2.425 691 A HA 0.664 4.984 4.320 -0.000 0.000 0.242 691 A C 0.961 178.588 177.584 0.072 0.000 1.077 691 A CA 0.333 52.404 52.037 0.055 0.000 0.781 691 A CB -0.304 18.730 19.000 0.056 0.000 1.020 691 A HN 1.818 nan 8.150 nan 0.000 0.494 692 G N -0.233 108.615 108.800 0.080 0.000 2.361 692 G HA2 0.363 4.323 3.960 -0.000 0.000 0.305 692 G HA3 0.363 4.323 3.960 -0.000 0.000 0.305 692 G C -1.210 173.757 174.900 0.113 0.000 1.367 692 G CA -0.824 44.342 45.100 0.111 0.000 0.951 692 G HN 0.859 nan 8.290 nan 0.000 0.615 693 Q N -0.375 119.531 119.800 0.176 0.000 2.331 693 Q HA 0.549 4.889 4.340 -0.000 0.000 0.257 693 Q C -0.441 175.732 176.000 0.289 0.000 0.957 693 Q CA -0.714 55.200 55.803 0.185 0.000 0.923 693 Q CB 1.408 30.346 28.738 0.333 0.000 1.212 693 Q HN 0.519 nan 8.270 nan 0.000 0.443 694 L N 5.301 126.605 121.223 0.135 0.000 2.283 694 L HA 0.380 4.720 4.340 -0.000 0.000 0.287 694 L C -1.730 175.262 176.870 0.203 0.000 1.073 694 L CA 0.174 55.123 54.840 0.181 0.000 0.822 694 L CB 0.082 42.193 42.059 0.086 0.000 1.186 694 L HN 0.572 nan 8.230 nan 0.000 0.436 695 W N 5.596 126.967 121.300 0.119 0.000 2.656 695 W HA 0.528 5.188 4.660 -0.000 0.000 0.327 695 W C -0.793 175.835 176.519 0.183 0.000 1.041 695 W CA -0.777 56.658 57.345 0.150 0.000 1.229 695 W CB 1.460 31.023 29.460 0.173 0.000 1.397 695 W HN 0.302 nan 8.180 nan 0.000 0.479 696 L N 3.402 124.910 121.223 0.476 0.000 2.275 696 L HA 0.728 5.068 4.340 -0.000 0.000 0.288 696 L C -0.204 176.944 176.870 0.462 0.000 1.046 696 L CA 0.504 55.610 54.840 0.443 0.000 0.805 696 L CB 1.008 43.303 42.059 0.393 0.000 1.193 696 L HN 0.346 nan 8.230 nan 0.000 0.426 697 T N 5.075 119.847 114.554 0.363 0.000 2.881 697 T HA 0.556 4.906 4.350 -0.000 0.000 0.291 697 T C -0.963 173.877 174.700 0.233 0.000 0.990 697 T CA -0.429 61.817 62.100 0.244 0.000 0.976 697 T CB 1.403 70.373 68.868 0.171 0.000 0.970 697 T HN 0.536 nan 8.240 nan 0.000 0.438 698 V N 2.309 122.301 119.914 0.129 0.000 2.513 698 V HA 0.834 4.954 4.120 -0.000 0.000 0.299 698 V C -0.480 175.642 176.094 0.048 0.000 1.035 698 V CA -1.003 61.343 62.300 0.076 0.000 0.889 698 V CB 1.633 33.371 31.823 -0.142 0.000 0.988 698 V HN 0.787 nan 8.190 nan 0.000 0.440 699 R N 2.558 123.131 120.500 0.121 0.000 2.795 699 R HA 0.848 5.188 4.340 -0.000 0.000 0.275 699 R C -1.688 174.689 176.300 0.129 0.000 0.981 699 R CA -0.851 55.355 56.100 0.178 0.000 0.917 699 R CB 2.782 33.189 30.300 0.179 0.000 1.202 699 R HN 0.647 nan 8.270 nan 0.000 0.469 700 V N 2.724 122.737 119.914 0.165 0.000 2.378 700 V HA 0.388 4.508 4.120 -0.000 0.000 0.288 700 V C -0.552 175.605 176.094 0.105 0.000 1.016 700 V CA -0.697 61.656 62.300 0.088 0.000 0.840 700 V CB 1.719 33.588 31.823 0.076 0.000 0.994 700 V HN 0.433 nan 8.190 nan 0.000 0.431 701 V N 4.424 124.342 119.914 0.006 0.000 2.581 701 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 701 V C -0.134 175.995 176.094 0.058 0.000 1.041 701 V CA -0.782 61.535 62.300 0.029 0.000 0.907 701 V CB 1.913 33.691 31.823 -0.076 0.000 0.994 701 V HN 0.876 nan 8.190 nan 0.000 0.442 702 Q N 4.868 124.745 119.800 0.127 0.000 2.566 702 Q HA 0.242 4.582 4.340 -0.000 0.000 0.221 702 Q C -1.660 174.381 176.000 0.068 0.000 1.195 702 Q CA -1.723 54.154 55.803 0.123 0.000 0.967 702 Q CB 1.283 30.123 28.738 0.171 0.000 1.337 702 Q HN 0.522 nan 8.270 nan 0.000 0.553 703 P HA -0.250 nan 4.420 nan 0.000 0.216 703 P C -0.619 176.697 177.300 0.027 0.000 1.167 703 P CA 1.511 64.633 63.100 0.036 0.000 0.914 703 P CB 0.247 31.966 31.700 0.032 0.000 0.793 704 N N -1.180 117.530 118.700 0.017 0.000 2.489 704 N HA 0.456 5.196 4.740 -0.000 0.000 0.284 704 N C -0.240 175.243 175.510 -0.045 0.000 1.158 704 N CA -0.651 52.395 53.050 -0.006 0.000 0.965 704 N CB 0.551 39.037 38.487 -0.002 0.000 1.195 704 N HN 0.054 nan 8.380 nan 0.000 0.506 705 A N 0.151 122.931 122.820 -0.067 0.000 2.259 705 A HA 0.701 5.021 4.320 -0.000 0.000 0.278 705 A C 0.202 177.676 177.584 -0.184 0.000 1.107 705 A CA -0.158 51.792 52.037 -0.144 0.000 0.828 705 A CB 0.128 19.053 19.000 -0.125 0.000 1.111 705 A HN 0.748 nan 8.150 nan 0.000 0.498 706 T N -4.243 110.115 114.554 -0.327 0.000 2.932 706 T HA 0.549 4.899 4.350 -0.000 0.000 0.318 706 T C 0.783 175.250 174.700 -0.388 0.000 1.265 706 T CA 0.237 62.132 62.100 -0.342 0.000 1.036 706 T CB 0.982 69.548 68.868 -0.504 0.000 1.209 706 T HN 1.983 nan 8.240 nan 0.000 0.484 707 A N 1.632 124.386 122.820 -0.110 0.000 2.030 707 A HA -0.155 4.165 4.320 -0.000 0.000 0.226 707 A C 1.711 179.291 177.584 -0.006 0.000 1.282 707 A CA 2.597 54.679 52.037 0.074 0.000 0.691 707 A CB -1.159 18.052 19.000 0.351 0.000 0.829 707 A HN 1.167 nan 8.150 nan 0.000 0.497 708 W N -1.519 119.759 121.300 -0.037 0.000 3.008 708 W HA 0.509 5.169 4.660 -0.000 0.000 0.355 708 W C 0.006 176.446 176.519 -0.132 0.000 1.095 708 W CA 0.512 57.775 57.345 -0.137 0.000 1.738 708 W CB -1.156 28.199 29.460 -0.175 0.000 1.091 708 W HN 0.688 nan 8.180 nan 0.000 0.574 709 S N 0.588 115.700 115.700 -0.980 0.000 2.537 709 S HA 0.365 4.835 4.470 -0.000 0.000 0.270 709 S C -0.548 173.762 174.600 -0.485 0.000 1.142 709 S CA -0.701 57.011 58.200 -0.814 0.000 0.870 709 S CB 2.365 64.630 63.200 -1.557 0.000 1.112 709 S HN 0.174 nan 8.310 nan 0.000 0.466 710 E N 1.609 121.679 120.200 -0.216 0.000 2.351 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.255 710 E C 0.509 177.077 176.600 -0.052 0.000 1.188 710 E CA -0.931 55.413 56.400 -0.093 0.000 0.940 710 E CB 0.533 30.226 29.700 -0.013 0.000 1.094 710 E HN 0.875 nan 8.360 nan 0.000 0.474 711 A N 0.043 122.850 122.820 -0.021 0.000 2.406 711 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 711 A C 1.095 178.708 177.584 0.049 0.000 1.082 711 A CA 0.394 52.435 52.037 0.006 0.000 0.786 711 A CB -0.470 18.535 19.000 0.008 0.000 1.029 711 A HN 0.893 nan 8.150 nan 0.000 0.495 712 G N -0.046 108.793 108.800 0.065 0.000 2.221 712 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.265 712 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.265 712 G C 0.215 175.184 174.900 0.115 0.000 1.041 712 G CA 0.577 45.727 45.100 0.083 0.000 0.807 712 G HN 1.366 nan 8.290 nan 0.000 0.502 713 H N -0.015 119.080 119.070 0.041 0.000 2.582 713 H HA 0.426 4.982 4.556 -0.000 0.000 0.345 713 H C -0.176 175.237 175.328 0.141 0.000 1.104 713 H CA -0.414 55.681 56.048 0.077 0.000 1.390 713 H CB 0.642 30.428 29.762 0.041 0.000 1.461 713 H HN 0.012 nan 8.280 nan 0.000 0.551 714 I N 5.345 125.709 120.570 -0.344 0.000 2.297 714 I HA -0.060 4.110 4.170 -0.000 0.000 0.291 714 I C 1.617 177.745 176.117 0.018 0.000 1.033 714 I CA -0.042 61.217 61.300 -0.068 0.000 1.253 714 I CB 0.630 38.634 38.000 0.008 0.000 1.396 714 I HN 0.646 nan 8.210 nan 0.000 0.476 715 S N 4.735 120.607 115.700 0.288 0.000 2.404 715 S HA 0.455 4.925 4.470 -0.000 0.000 0.223 715 S C 0.770 175.594 174.600 0.373 0.000 1.040 715 S CA 0.295 58.755 58.200 0.433 0.000 0.957 715 S CB 0.434 63.973 63.200 0.566 0.000 0.826 715 S HN 0.650 nan 8.310 nan 0.000 0.491 716 A N 0.174 123.231 122.820 0.395 0.000 2.606 716 A HA 0.692 5.012 4.320 -0.000 0.000 0.293 716 A C -1.705 176.158 177.584 0.466 0.000 1.082 716 A CA -0.935 51.286 52.037 0.307 0.000 0.685 716 A CB 0.688 19.879 19.000 0.319 0.000 1.284 716 A HN 0.873 nan 8.150 nan 0.000 0.408 717 W N -0.380 121.087 121.300 0.278 0.000 3.025 717 W HA 0.812 5.472 4.660 -0.000 0.000 0.343 717 W C -1.138 175.448 176.519 0.112 0.000 1.246 717 W CA -0.677 56.738 57.345 0.116 0.000 1.178 717 W CB 1.295 30.786 29.460 0.052 0.000 1.463 717 W HN 1.022 nan 8.180 nan 0.000 0.578 718 Q N 1.702 121.558 119.800 0.094 0.000 2.574 718 Q HA 0.292 4.632 4.340 -0.000 0.000 0.265 718 Q C -1.696 174.057 176.000 -0.413 0.000 0.975 718 Q CA -0.566 55.129 55.803 -0.180 0.000 0.923 718 Q CB 1.969 30.462 28.738 -0.408 0.000 1.518 718 Q HN 0.659 nan 8.270 nan 0.000 0.401 719 Q N 3.218 122.767 119.800 -0.418 0.000 2.372 719 Q HA 0.668 5.008 4.340 -0.000 0.000 0.273 719 Q C -1.311 174.471 176.000 -0.364 0.000 1.078 719 Q CA -0.672 54.968 55.803 -0.272 0.000 0.806 719 Q CB 1.766 30.597 28.738 0.156 0.000 1.332 719 Q HN 0.627 nan 8.270 nan 0.000 0.435 720 W N 2.151 123.606 121.300 0.260 0.000 2.736 720 W HA 0.473 5.133 4.660 -0.000 0.000 0.335 720 W C -0.272 176.203 176.519 -0.073 0.000 1.059 720 W CA -0.874 56.530 57.345 0.099 0.000 1.226 720 W CB 1.964 31.444 29.460 0.033 0.000 1.416 720 W HN 0.681 nan 8.180 nan 0.000 0.505 721 R N 2.630 122.934 120.500 -0.326 0.000 2.220 721 R HA 0.229 4.569 4.340 -0.000 0.000 0.340 721 R C 0.967 177.049 176.300 -0.363 0.000 1.076 721 R CA -0.097 55.457 56.100 -0.910 0.000 0.920 721 R CB 0.389 29.863 30.300 -1.376 0.000 1.062 721 R HN 0.604 nan 8.270 nan 0.000 0.469 722 L N 2.665 123.755 121.223 -0.222 0.000 2.007 722 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 722 L C 0.857 177.661 176.870 -0.110 0.000 1.073 722 L CA 1.217 55.999 54.840 -0.096 0.000 0.744 722 L CB -0.135 41.918 42.059 -0.009 0.000 0.898 722 L HN 0.689 nan 8.230 nan 0.000 0.435 723 A N -0.748 122.004 122.820 -0.114 0.000 2.588 723 A HA 0.607 4.927 4.320 -0.000 0.000 0.290 723 A C -1.412 176.125 177.584 -0.077 0.000 1.136 723 A CA -0.401 51.588 52.037 -0.080 0.000 0.681 723 A CB 1.851 20.830 19.000 -0.035 0.000 1.282 723 A HN 0.082 nan 8.150 nan 0.000 0.421 724 E N 0.500 120.674 120.200 -0.044 0.000 2.274 724 E HA 0.405 4.755 4.350 -0.000 0.000 0.269 724 E C -1.713 174.890 176.600 0.005 0.000 0.891 724 E CA -0.586 55.802 56.400 -0.020 0.000 0.784 724 E CB 1.071 30.752 29.700 -0.032 0.000 1.225 724 E HN 0.516 nan 8.360 nan 0.000 0.412 725 N N 5.130 123.845 118.700 0.026 0.000 2.527 725 N HA 0.264 5.004 4.740 -0.000 0.000 0.236 725 N C -0.479 175.053 175.510 0.037 0.000 0.999 725 N CA -0.269 52.799 53.050 0.030 0.000 0.935 725 N CB 0.861 39.370 38.487 0.036 0.000 1.132 725 N HN 0.553 nan 8.380 nan 0.000 0.511 726 L N 0.905 122.147 121.223 0.031 0.000 2.483 726 L HA 0.067 4.407 4.340 -0.000 0.000 0.276 726 L C 1.175 178.070 176.870 0.041 0.000 1.213 726 L CA 0.120 54.983 54.840 0.038 0.000 0.843 726 L CB 0.495 42.572 42.059 0.031 0.000 1.107 726 L HN 0.432 nan 8.230 nan 0.000 0.487 727 S N 2.122 117.851 115.700 0.048 0.000 2.452 727 S HA 0.346 4.816 4.470 -0.000 0.000 0.284 727 S C 0.295 174.919 174.600 0.040 0.000 1.171 727 S CA -0.829 57.399 58.200 0.046 0.000 1.064 727 S CB 1.209 64.442 63.200 0.055 0.000 0.967 727 S HN 0.432 nan 8.310 nan 0.000 0.484 728 V N 1.694 121.628 119.914 0.034 0.000 3.380 728 V HA 0.295 4.415 4.120 -0.000 0.000 0.307 728 V C 0.950 177.060 176.094 0.027 0.000 1.434 728 V CA 0.103 62.421 62.300 0.029 0.000 1.075 728 V CB -1.218 30.620 31.823 0.025 0.000 0.954 728 V HN 0.932 nan 8.190 nan 0.000 0.444 729 T N 0.405 114.976 114.554 0.028 0.000 2.788 729 T HA 0.691 5.041 4.350 -0.000 0.000 0.287 729 T C -0.294 174.420 174.700 0.024 0.000 1.007 729 T CA -0.320 61.794 62.100 0.025 0.000 1.005 729 T CB 1.514 70.397 68.868 0.025 0.000 1.012 729 T HN 0.298 nan 8.240 nan 0.000 0.530 730 L N 0.849 122.083 121.223 0.019 0.000 2.333 730 L HA 0.553 4.893 4.340 -0.000 0.000 0.269 730 L C -2.080 174.797 176.870 0.012 0.000 1.010 730 L CA -2.459 52.391 54.840 0.016 0.000 0.818 730 L CB 1.071 43.138 42.059 0.013 0.000 1.306 730 L HN 0.563 nan 8.230 nan 0.000 0.430 731 P HA 0.214 nan 4.420 nan 0.000 0.274 731 P C -0.243 177.049 177.300 -0.013 0.000 1.291 731 P CA -0.303 62.797 63.100 0.000 0.000 0.815 731 P CB 0.743 32.444 31.700 0.001 0.000 0.897 732 A N 4.017 126.826 122.820 -0.019 0.000 2.622 732 A HA 0.239 4.559 4.320 -0.000 0.000 0.235 732 A C 1.023 178.570 177.584 -0.062 0.000 1.013 732 A CA 0.316 52.334 52.037 -0.033 0.000 0.765 732 A CB -0.448 18.528 19.000 -0.041 0.000 0.921 732 A HN 0.796 nan 8.150 nan 0.000 0.506 733 A N 3.471 126.260 122.820 -0.052 0.000 2.586 733 A HA 0.443 4.763 4.320 -0.000 0.000 0.231 733 A C 1.143 178.623 177.584 -0.175 0.000 1.055 733 A CA 0.506 52.506 52.037 -0.061 0.000 0.756 733 A CB -0.392 18.605 19.000 -0.005 0.000 0.988 733 A HN 1.935 nan 8.150 nan 0.000 0.509 734 S N 0.839 116.454 115.700 -0.142 0.000 2.666 734 S HA 0.477 4.947 4.470 -0.000 0.000 0.279 734 S C 0.370 174.856 174.600 -0.189 0.000 1.149 734 S CA -0.045 58.019 58.200 -0.226 0.000 1.020 734 S CB 0.386 63.534 63.200 -0.087 0.000 1.127 734 S HN 0.757 nan 8.310 nan 0.000 0.537 735 H N -1.074 118.001 119.070 0.009 0.000 3.170 735 H HA 0.629 5.185 4.556 -0.000 0.000 0.264 735 H C 0.399 175.731 175.328 0.006 0.000 1.113 735 H CA 0.133 56.185 56.048 0.006 0.000 1.194 735 H CB 0.864 30.629 29.762 0.005 0.000 1.553 735 H HN 0.743 nan 8.280 nan 0.000 0.538 736 A N 1.161 124.046 122.820 0.109 0.000 2.594 736 A HA 0.702 5.022 4.320 -0.000 0.000 0.307 736 A C -1.618 175.994 177.584 0.047 0.000 1.203 736 A CA -0.651 51.427 52.037 0.069 0.000 0.644 736 A CB 1.179 20.218 19.000 0.065 0.000 1.349 736 A HN 0.240 nan 8.150 nan 0.000 0.510 737 I N -2.887 117.710 120.570 0.045 0.000 2.918 737 I HA 0.694 4.864 4.170 -0.000 0.000 0.301 737 I C -3.002 173.150 176.117 0.059 0.000 1.312 737 I CA -2.383 58.938 61.300 0.035 0.000 1.007 737 I CB 2.250 40.260 38.000 0.016 0.000 1.281 737 I HN 0.415 nan 8.210 nan 0.000 0.440 738 P HA 0.003 nan 4.420 nan 0.000 0.270 738 P C -1.251 176.128 177.300 0.131 0.000 1.221 738 P CA 0.388 63.550 63.100 0.103 0.000 0.788 738 P CB 0.203 31.939 31.700 0.060 0.000 0.904 739 H N 1.475 120.572 119.070 0.046 0.000 2.762 739 H HA 0.376 4.932 4.556 -0.000 0.000 0.310 739 H C -1.007 174.340 175.328 0.031 0.000 1.004 739 H CA -1.052 55.010 56.048 0.025 0.000 1.267 739 H CB 0.743 30.519 29.762 0.022 0.000 1.437 739 H HN 0.225 nan 8.280 nan 0.000 0.498 740 L N 5.267 126.346 121.223 -0.239 0.000 2.331 740 L HA 0.327 4.667 4.340 -0.000 0.000 0.278 740 L C -0.749 175.924 176.870 -0.328 0.000 1.106 740 L CA 0.281 54.969 54.840 -0.253 0.000 0.824 740 L CB 1.351 43.300 42.059 -0.184 0.000 1.142 740 L HN 0.535 nan 8.230 nan 0.000 0.443 741 T N 3.280 117.708 114.554 -0.210 0.000 2.863 741 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 741 T C -0.333 174.405 174.700 0.064 0.000 1.009 741 T CA -0.433 61.601 62.100 -0.109 0.000 0.989 741 T CB 1.545 70.343 68.868 -0.116 0.000 1.004 741 T HN 0.713 nan 8.240 nan 0.000 0.455 742 T N 1.977 116.592 114.554 0.101 0.000 2.945 742 T HA 0.746 5.096 4.350 -0.000 0.000 0.286 742 T C -0.188 174.578 174.700 0.110 0.000 1.025 742 T CA -0.588 61.640 62.100 0.213 0.000 1.039 742 T CB 1.608 70.623 68.868 0.245 0.000 1.068 742 T HN 0.592 nan 8.240 nan 0.000 0.497 743 S N -0.273 115.471 115.700 0.073 0.000 2.671 743 S HA 0.343 4.813 4.470 -0.000 0.000 0.277 743 S C 0.444 175.017 174.600 -0.045 0.000 1.165 743 S CA -0.687 57.518 58.200 0.009 0.000 0.822 743 S CB 1.457 64.659 63.200 0.004 0.000 1.150 743 S HN 0.697 nan 8.310 nan 0.000 0.479 744 E N 0.594 120.767 120.200 -0.044 0.000 2.170 744 E HA 0.081 4.431 4.350 -0.000 0.000 0.191 744 E C 1.043 177.582 176.600 -0.101 0.000 0.981 744 E CA 0.737 57.099 56.400 -0.062 0.000 0.830 744 E CB -0.010 29.669 29.700 -0.034 0.000 0.775 744 E HN 0.566 nan 8.360 nan 0.000 0.470 745 M N 0.723 120.272 119.600 -0.085 0.000 2.333 745 M HA 0.069 4.549 4.480 -0.000 0.000 0.257 745 M C -0.723 175.511 176.300 -0.111 0.000 1.078 745 M CA 0.177 55.426 55.300 -0.086 0.000 1.005 745 M CB 0.468 33.045 32.600 -0.037 0.000 1.444 745 M HN 0.059 nan 8.290 nan 0.000 0.496 746 D N -1.871 118.436 120.400 -0.154 0.000 2.779 746 D HA 0.394 5.034 4.640 -0.000 0.000 0.331 746 D C -1.235 174.976 176.300 -0.147 0.000 1.331 746 D CA -0.704 53.218 54.000 -0.131 0.000 0.866 746 D CB 1.022 41.838 40.800 0.027 0.000 1.409 746 D HN -0.208 nan 8.370 nan 0.000 0.486 747 F N 0.061 120.080 119.950 0.115 0.000 2.612 747 F HA 0.490 5.017 4.527 -0.000 0.000 0.332 747 F C -0.657 175.239 175.800 0.159 0.000 1.167 747 F CA -1.562 56.495 58.000 0.095 0.000 0.970 747 F CB 1.766 40.799 39.000 0.055 0.000 1.234 747 F HN 0.587 nan 8.300 nan 0.000 0.453 748 C N 4.360 123.825 119.300 0.275 0.000 2.366 748 C HA 0.844 5.304 4.460 -0.000 0.000 0.345 748 C C -0.390 174.695 174.990 0.157 0.000 1.209 748 C CA -0.422 58.719 59.018 0.205 0.000 2.050 748 C CB 0.562 28.352 27.740 0.084 0.000 2.359 748 C HN 0.585 nan 8.230 nan 0.000 0.527 749 I N 3.368 124.083 120.570 0.242 0.000 2.534 749 I HA 0.439 4.609 4.170 -0.000 0.000 0.288 749 I C -0.136 176.189 176.117 0.348 0.000 1.077 749 I CA 0.077 61.510 61.300 0.221 0.000 1.051 749 I CB 1.621 39.758 38.000 0.227 0.000 1.234 749 I HN 0.655 nan 8.210 nan 0.000 0.425 750 E N 4.632 124.963 120.200 0.218 0.000 2.299 750 E HA 0.850 5.200 4.350 -0.000 0.000 0.260 750 E C -1.618 175.144 176.600 0.269 0.000 0.944 750 E CA -0.981 55.542 56.400 0.205 0.000 0.815 750 E CB 2.528 32.287 29.700 0.098 0.000 1.252 750 E HN 0.466 nan 8.360 nan 0.000 0.418 751 L N 2.058 123.401 121.223 0.199 0.000 2.969 751 L HA 0.375 4.715 4.340 -0.000 0.000 0.250 751 L C -0.147 176.773 176.870 0.083 0.000 0.953 751 L CA 0.635 55.588 54.840 0.187 0.000 1.066 751 L CB 0.751 42.995 42.059 0.308 0.000 1.497 751 L HN 0.740 nan 8.230 nan 0.000 0.512 752 G N 4.058 112.888 108.800 0.050 0.000 2.596 752 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.295 752 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.295 752 G C 0.591 175.472 174.900 -0.032 0.000 1.240 752 G CA 0.734 45.839 45.100 0.009 0.000 0.985 752 G HN 1.215 nan 8.290 nan 0.000 0.555 753 N N 1.121 119.787 118.700 -0.057 0.000 2.453 753 N HA 0.021 4.761 4.740 -0.000 0.000 0.183 753 N C 0.739 176.157 175.510 -0.153 0.000 1.041 753 N CA 1.748 54.743 53.050 -0.091 0.000 0.900 753 N CB -0.231 38.208 38.487 -0.080 0.000 0.961 753 N HN 0.912 nan 8.380 nan 0.000 0.443 754 K N 0.504 120.774 120.400 -0.215 0.000 2.201 754 K HA 0.425 4.745 4.320 -0.000 0.000 0.278 754 K C -0.251 176.001 176.600 -0.580 0.000 1.027 754 K CA -0.493 55.512 56.287 -0.470 0.000 0.909 754 K CB 1.491 33.584 32.500 -0.679 0.000 1.062 754 K HN 0.017 nan 8.250 nan 0.000 0.465 755 R N 2.013 122.171 120.500 -0.571 0.000 2.750 755 R HA 0.458 4.798 4.340 -0.000 0.000 0.281 755 R C -0.968 175.157 176.300 -0.293 0.000 0.972 755 R CA -0.870 55.063 56.100 -0.278 0.000 0.912 755 R CB 1.832 32.077 30.300 -0.092 0.000 1.187 755 R HN 0.587 nan 8.270 nan 0.000 0.464 756 W N 1.562 122.946 121.300 0.140 0.000 2.915 756 W HA 0.386 5.046 4.660 -0.000 0.000 0.337 756 W C -0.317 176.287 176.519 0.141 0.000 1.102 756 W CA -0.618 56.777 57.345 0.083 0.000 1.224 756 W CB 2.223 31.718 29.460 0.057 0.000 1.416 756 W HN 0.412 nan 8.180 nan 0.000 0.503 757 Q N 0.959 120.890 119.800 0.218 0.000 2.351 757 Q HA 0.572 4.912 4.340 -0.000 0.000 0.273 757 Q C -1.799 174.150 176.000 -0.085 0.000 1.077 757 Q CA -0.622 55.293 55.803 0.186 0.000 0.843 757 Q CB 2.078 30.939 28.738 0.206 0.000 1.367 757 Q HN 0.449 nan 8.270 nan 0.000 0.449 758 F N 2.356 122.384 119.950 0.130 0.000 2.710 758 F HA 0.224 4.751 4.527 -0.000 0.000 0.345 758 F C 0.034 175.841 175.800 0.012 0.000 1.362 758 F CA -0.751 57.297 58.000 0.079 0.000 1.175 758 F CB 0.926 40.003 39.000 0.129 0.000 1.561 758 F HN 0.540 nan 8.300 nan 0.000 0.593 759 N N 2.388 121.147 118.700 0.099 0.000 2.030 759 N HA -0.129 4.611 4.740 -0.000 0.000 0.292 759 N C 1.191 176.703 175.510 0.003 0.000 1.315 759 N CA 0.663 53.744 53.050 0.051 0.000 0.810 759 N CB 0.606 39.131 38.487 0.064 0.000 1.048 759 N HN 0.624 nan 8.380 nan 0.000 0.492 760 R N 2.780 123.214 120.500 -0.110 0.000 2.240 760 R HA -0.045 4.295 4.340 -0.000 0.000 0.203 760 R C 1.593 177.821 176.300 -0.119 0.000 1.011 760 R CA 0.867 56.845 56.100 -0.204 0.000 1.007 760 R CB 0.241 30.308 30.300 -0.388 0.000 0.911 760 R HN 0.663 nan 8.270 nan 0.000 0.468 761 Q N -0.659 119.104 119.800 -0.062 0.000 2.123 761 Q HA -0.069 4.271 4.340 -0.000 0.000 0.196 761 Q C 2.182 178.176 176.000 -0.010 0.000 0.958 761 Q CA 1.769 57.550 55.803 -0.036 0.000 0.841 761 Q CB 0.252 28.982 28.738 -0.013 0.000 0.915 761 Q HN 0.260 nan 8.270 nan 0.000 0.455 762 S N -1.075 114.644 115.700 0.032 0.000 2.356 762 S HA 0.106 4.576 4.470 -0.000 0.000 0.219 762 S C 1.445 176.003 174.600 -0.069 0.000 1.036 762 S CA 0.732 58.981 58.200 0.082 0.000 0.965 762 S CB 0.027 63.380 63.200 0.255 0.000 0.864 762 S HN 0.474 nan 8.310 nan 0.000 0.471 763 G N 0.575 109.325 108.800 -0.084 0.000 2.215 763 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.198 763 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.198 763 G C -0.406 174.329 174.900 -0.274 0.000 1.047 763 G CA -0.169 44.844 45.100 -0.145 0.000 0.747 763 G HN 0.459 nan 8.290 nan 0.000 0.495 764 F N -1.118 118.989 119.950 0.262 0.000 2.569 764 F HA 0.597 5.124 4.527 -0.000 0.000 0.312 764 F C 0.339 176.116 175.800 -0.038 0.000 1.109 764 F CA -1.515 56.606 58.000 0.201 0.000 0.919 764 F CB 1.592 40.666 39.000 0.124 0.000 1.211 764 F HN 0.073 nan 8.300 nan 0.000 0.446 765 L N 2.874 124.036 121.223 -0.103 0.000 2.810 765 L HA -0.032 4.308 4.340 -0.000 0.000 0.279 765 L C 1.092 177.828 176.870 -0.223 0.000 1.144 765 L CA 0.791 55.203 54.840 -0.713 0.000 0.998 765 L CB -0.080 41.694 42.059 -0.474 0.000 1.342 765 L HN 0.734 nan 8.230 nan 0.000 0.473 766 S N 2.363 117.933 115.700 -0.216 0.000 2.503 766 S HA 0.267 4.737 4.470 -0.000 0.000 0.215 766 S C 0.461 174.970 174.600 -0.151 0.000 1.003 766 S CA 0.251 58.397 58.200 -0.089 0.000 0.910 766 S CB 0.158 63.352 63.200 -0.011 0.000 0.790 766 S HN 0.734 nan 8.310 nan 0.000 0.514 767 Q N 0.027 119.696 119.800 -0.219 0.000 2.791 767 Q HA 0.598 4.938 4.340 -0.000 0.000 0.280 767 Q C -1.780 173.996 176.000 -0.373 0.000 0.928 767 Q CA -0.491 55.097 55.803 -0.359 0.000 0.819 767 Q CB 1.199 29.630 28.738 -0.512 0.000 1.552 767 Q HN 0.452 nan 8.270 nan 0.000 0.410 768 M N 1.426 120.702 119.600 -0.540 0.000 2.484 768 M HA 0.809 5.289 4.480 -0.000 0.000 0.289 768 M C -1.969 173.999 176.300 -0.554 0.000 1.206 768 M CA -0.223 54.812 55.300 -0.442 0.000 0.892 768 M CB 1.954 34.303 32.600 -0.419 0.000 1.712 768 M HN 0.570 nan 8.290 nan 0.000 0.462 769 W N 3.597 124.650 121.300 -0.412 0.000 2.864 769 W HA 0.634 5.294 4.660 -0.000 0.000 0.343 769 W C -1.670 174.628 176.519 -0.367 0.000 1.109 769 W CA -0.778 56.380 57.345 -0.312 0.000 1.192 769 W CB 2.106 31.415 29.460 -0.251 0.000 1.426 769 W HN 0.557 nan 8.180 nan 0.000 0.529 770 I N 2.692 123.248 120.570 -0.023 0.000 2.437 770 I HA 0.417 4.587 4.170 -0.000 0.000 0.279 770 I C 0.739 176.844 176.117 -0.021 0.000 1.028 770 I CA 0.306 61.551 61.300 -0.093 0.000 1.142 770 I CB 0.992 38.911 38.000 -0.136 0.000 1.266 770 I HN 0.685 nan 8.210 nan 0.000 0.461 771 G N 5.243 114.019 108.800 -0.039 0.000 2.536 771 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 771 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 771 G C 0.586 175.498 174.900 0.019 0.000 1.152 771 G CA 0.474 45.556 45.100 -0.029 0.000 0.970 771 G HN 0.634 nan 8.290 nan 0.000 0.549 772 D N 1.113 121.540 120.400 0.045 0.000 2.305 772 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 772 D C 0.847 177.320 176.300 0.288 0.000 0.974 772 D CA 0.588 54.649 54.000 0.100 0.000 0.871 772 D CB 0.017 40.840 40.800 0.038 0.000 0.947 772 D HN 0.585 nan 8.370 nan 0.000 0.516 773 K N 1.794 122.291 120.400 0.162 0.000 2.402 773 K HA 0.126 4.446 4.320 -0.000 0.000 0.285 773 K C 0.395 176.966 176.600 -0.049 0.000 1.054 773 K CA 0.137 56.462 56.287 0.063 0.000 1.001 773 K CB 1.082 33.579 32.500 -0.005 0.000 0.946 773 K HN 0.006 nan 8.250 nan 0.000 0.473 774 K N 1.795 122.071 120.400 -0.206 0.000 2.149 774 K HA 0.003 4.323 4.320 -0.000 0.000 0.245 774 K C 0.987 177.362 176.600 -0.376 0.000 1.024 774 K CA -0.161 55.771 56.287 -0.592 0.000 0.899 774 K CB 0.596 32.810 32.500 -0.477 0.000 1.038 774 K HN 0.456 nan 8.250 nan 0.000 0.496 775 Q N 0.096 119.648 119.800 -0.412 0.000 2.254 775 Q HA 0.184 4.524 4.340 -0.000 0.000 0.259 775 Q C -0.440 175.458 176.000 -0.171 0.000 0.815 775 Q CA 0.386 56.065 55.803 -0.207 0.000 0.961 775 Q CB 0.586 29.253 28.738 -0.120 0.000 1.140 775 Q HN 0.460 nan 8.270 nan 0.000 0.502 776 L N -1.253 119.829 121.223 -0.235 0.000 2.431 776 L HA 0.493 4.833 4.340 -0.000 0.000 0.266 776 L C 0.674 177.416 176.870 -0.213 0.000 0.978 776 L CA -0.530 54.196 54.840 -0.190 0.000 0.822 776 L CB 1.344 43.331 42.059 -0.120 0.000 1.310 776 L HN -0.215 nan 8.230 nan 0.000 0.409 777 L N -0.561 120.529 121.223 -0.221 0.000 2.492 777 L HA 0.265 4.605 4.340 -0.000 0.000 0.223 777 L C 0.468 177.219 176.870 -0.199 0.000 1.132 777 L CA 0.663 55.382 54.840 -0.202 0.000 0.850 777 L CB -0.141 41.795 42.059 -0.205 0.000 0.966 777 L HN 0.743 nan 8.230 nan 0.000 0.454 778 T N 0.211 114.621 114.554 -0.240 0.000 2.909 778 T HA 0.435 4.785 4.350 -0.000 0.000 0.299 778 T C -2.621 171.990 174.700 -0.148 0.000 1.073 778 T CA -1.144 60.837 62.100 -0.198 0.000 0.999 778 T CB 2.672 71.352 68.868 -0.314 0.000 1.098 778 T HN -0.211 nan 8.240 nan 0.000 0.477 779 P HA 0.319 nan 4.420 nan 0.000 0.276 779 P C -0.721 176.523 177.300 -0.094 0.000 1.244 779 P CA -0.693 62.364 63.100 -0.071 0.000 0.801 779 P CB 0.601 32.286 31.700 -0.026 0.000 1.006 780 L N 3.427 124.640 121.223 -0.017 0.000 2.325 780 L HA 0.242 4.582 4.340 -0.000 0.000 0.284 780 L C 0.440 177.240 176.870 -0.115 0.000 1.089 780 L CA 0.129 54.983 54.840 0.023 0.000 0.836 780 L CB -0.327 41.864 42.059 0.221 0.000 1.184 780 L HN 0.401 nan 8.230 nan 0.000 0.444 781 R N 1.912 122.235 120.500 -0.294 0.000 2.867 781 R HA 0.641 4.981 4.340 -0.000 0.000 0.268 781 R C -1.149 174.987 176.300 -0.273 0.000 1.014 781 R CA -1.155 54.599 56.100 -0.576 0.000 0.946 781 R CB 0.675 30.380 30.300 -0.991 0.000 1.208 781 R HN 0.330 nan 8.270 nan 0.000 0.477 782 D N 0.672 120.950 120.400 -0.203 0.000 2.368 782 D HA 0.072 4.712 4.640 -0.000 0.000 0.240 782 D C -0.644 175.218 176.300 -0.730 0.000 1.169 782 D CA 0.233 53.968 54.000 -0.441 0.000 0.906 782 D CB 0.634 41.121 40.800 -0.522 0.000 1.187 782 D HN 0.390 nan 8.370 nan 0.000 0.435 783 Q N 0.976 120.156 119.800 -1.033 0.000 2.295 783 Q HA 0.236 4.576 4.340 -0.000 0.000 0.259 783 Q C -1.091 174.282 176.000 -1.044 0.000 0.966 783 Q CA -0.462 54.829 55.803 -0.853 0.000 0.763 783 Q CB 0.482 28.940 28.738 -0.467 0.000 1.283 783 Q HN 0.396 nan 8.270 nan 0.000 0.445 784 F N 0.625 120.186 119.950 -0.649 0.000 2.695 784 F HA 0.154 4.681 4.527 -0.000 0.000 0.303 784 F C 1.156 176.520 175.800 -0.727 0.000 1.091 784 F CA 0.210 57.728 58.000 -0.803 0.000 1.300 784 F CB 0.874 39.112 39.000 -1.272 0.000 1.071 784 F HN 0.424 nan 8.300 nan 0.000 0.578 785 T N -0.995 113.258 114.554 -0.501 0.000 2.807 785 T HA 0.759 5.109 4.350 -0.000 0.000 0.277 785 T C -0.418 174.035 174.700 -0.413 0.000 1.006 785 T CA -0.967 60.781 62.100 -0.588 0.000 1.006 785 T CB 2.681 71.115 68.868 -0.724 0.000 1.274 785 T HN 0.230 nan 8.240 nan 0.000 0.569 786 R N -0.518 119.795 120.500 -0.311 0.000 2.740 786 R HA 0.743 5.083 4.340 -0.000 0.000 0.273 786 R C -1.228 175.139 176.300 0.112 0.000 0.998 786 R CA -1.124 54.925 56.100 -0.085 0.000 0.900 786 R CB 1.543 31.829 30.300 -0.022 0.000 1.223 786 R HN 0.820 nan 8.270 nan 0.000 0.466 787 A N 3.849 126.727 122.820 0.098 0.000 2.539 787 A HA 0.340 4.660 4.320 -0.000 0.000 0.306 787 A C -2.032 175.631 177.584 0.132 0.000 1.392 787 A CA -1.738 50.366 52.037 0.112 0.000 1.060 787 A CB -0.406 18.602 19.000 0.012 0.000 1.134 787 A HN 0.599 nan 8.150 nan 0.000 0.542 788 P HA -0.073 nan 4.420 nan 0.000 0.262 788 P C -0.258 177.136 177.300 0.155 0.000 1.151 788 P CA 0.793 64.045 63.100 0.253 0.000 0.757 788 P CB 0.227 32.097 31.700 0.284 0.000 0.754 789 L N 2.373 123.652 121.223 0.093 0.000 2.488 789 L HA 0.278 4.618 4.340 -0.000 0.000 0.249 789 L C 2.029 178.881 176.870 -0.030 0.000 1.151 789 L CA -0.455 54.371 54.840 -0.024 0.000 0.806 789 L CB -0.164 41.807 42.059 -0.146 0.000 1.261 789 L HN 0.250 nan 8.230 nan 0.000 0.484 790 D N 0.006 120.304 120.400 -0.170 0.000 2.097 790 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 790 D C 1.601 177.783 176.300 -0.197 0.000 0.989 790 D CA 1.385 55.217 54.000 -0.281 0.000 0.827 790 D CB -0.012 40.504 40.800 -0.473 0.000 0.966 790 D HN 0.472 nan 8.370 nan 0.000 0.456 791 N N 1.332 119.930 118.700 -0.170 0.000 2.364 791 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 791 N C 1.230 176.729 175.510 -0.019 0.000 1.022 791 N CA 0.574 53.569 53.050 -0.093 0.000 0.883 791 N CB -0.201 38.224 38.487 -0.104 0.000 0.965 791 N HN 0.280 nan 8.380 nan 0.000 0.438 792 D N 0.769 121.162 120.400 -0.011 0.000 2.097 792 D HA -0.025 4.615 4.640 -0.000 0.000 0.195 792 D C 1.976 178.308 176.300 0.053 0.000 0.989 792 D CA 0.712 54.743 54.000 0.051 0.000 0.827 792 D CB 0.047 40.928 40.800 0.136 0.000 0.966 792 D HN 0.294 nan 8.370 nan 0.000 0.456 793 I N 0.064 120.658 120.570 0.039 0.000 2.584 793 I HA 0.049 4.219 4.170 -0.000 0.000 0.255 793 I C 1.842 177.990 176.117 0.050 0.000 1.145 793 I CA 0.623 61.949 61.300 0.044 0.000 1.462 793 I CB -0.248 37.777 38.000 0.041 0.000 1.102 793 I HN 0.077 nan 8.210 nan 0.000 0.433 794 G N 1.263 110.102 108.800 0.063 0.000 2.556 794 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.283 794 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.283 794 G C 0.653 175.717 174.900 0.274 0.000 1.177 794 G CA 0.839 46.037 45.100 0.162 0.000 0.978 794 G HN 0.580 nan 8.290 nan 0.000 0.554 795 V N -2.315 117.718 119.914 0.197 0.000 3.380 795 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 795 V C 1.178 177.317 176.094 0.074 0.000 1.434 795 V CA 1.113 63.508 62.300 0.159 0.000 1.075 795 V CB 0.163 31.965 31.823 -0.034 0.000 0.954 795 V HN 1.616 nan 8.190 nan 0.000 0.444 796 S N 1.694 117.431 115.700 0.063 0.000 2.558 796 S HA 0.168 4.638 4.470 -0.000 0.000 0.291 796 S C 0.143 174.774 174.600 0.051 0.000 1.306 796 S CA 0.346 58.568 58.200 0.036 0.000 1.056 796 S CB 0.148 63.362 63.200 0.023 0.000 0.836 796 S HN 0.740 nan 8.310 nan 0.000 0.504 797 E N 1.507 121.730 120.200 0.038 0.000 2.404 797 E HA 0.514 4.864 4.350 -0.000 0.000 0.264 797 E C 0.929 177.555 176.600 0.043 0.000 0.946 797 E CA -0.619 55.810 56.400 0.049 0.000 0.806 797 E CB 1.203 30.926 29.700 0.037 0.000 1.334 797 E HN 0.601 nan 8.360 nan 0.000 0.429 798 A N 0.161 123.011 122.820 0.051 0.000 1.933 798 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 798 A C 1.892 179.497 177.584 0.034 0.000 1.175 798 A CA 2.329 54.393 52.037 0.045 0.000 0.628 798 A CB -0.702 18.330 19.000 0.053 0.000 0.814 798 A HN 0.567 nan 8.150 nan 0.000 0.444 799 T N -1.791 112.781 114.554 0.031 0.000 3.009 799 T HA 0.161 4.511 4.350 -0.000 0.000 0.258 799 T C 0.994 175.701 174.700 0.011 0.000 1.063 799 T CA 0.598 62.711 62.100 0.022 0.000 1.139 799 T CB 0.075 68.957 68.868 0.023 0.000 0.890 799 T HN 0.318 nan 8.240 nan 0.000 0.471 800 R N 0.670 121.176 120.500 0.010 0.000 2.415 800 R HA 0.502 4.842 4.340 -0.000 0.000 0.292 800 R C -1.347 174.953 176.300 0.001 0.000 1.295 800 R CA -0.275 55.824 56.100 -0.002 0.000 1.137 800 R CB 0.637 30.927 30.300 -0.017 0.000 1.135 800 R HN 0.266 nan 8.270 nan 0.000 0.560 801 I N 1.564 122.134 120.570 0.000 0.000 2.395 801 I HA 0.076 4.246 4.170 -0.000 0.000 0.289 801 I C 0.079 176.188 176.117 -0.014 0.000 1.023 801 I CA -0.176 61.124 61.300 -0.001 0.000 1.350 801 I CB 1.174 39.176 38.000 0.002 0.000 1.409 801 I HN 0.369 nan 8.210 nan 0.000 0.507 802 D N 9.170 129.560 120.400 -0.017 0.000 2.456 802 D HA 0.241 4.881 4.640 -0.000 0.000 0.219 802 D C -1.643 174.620 176.300 -0.060 0.000 1.126 802 D CA -2.334 51.646 54.000 -0.033 0.000 0.890 802 D CB 1.180 41.967 40.800 -0.023 0.000 1.025 802 D HN 0.143 nan 8.370 nan 0.000 0.511 803 P HA -0.157 nan 4.420 nan 0.000 0.217 803 P C 0.636 177.849 177.300 -0.145 0.000 1.148 803 P CA 0.977 64.026 63.100 -0.086 0.000 0.834 803 P CB 0.283 31.941 31.700 -0.071 0.000 0.783 804 N N -0.905 117.702 118.700 -0.155 0.000 2.398 804 N HA 0.095 4.835 4.740 -0.000 0.000 0.188 804 N C 0.715 176.038 175.510 -0.311 0.000 1.122 804 N CA 0.129 53.037 53.050 -0.238 0.000 0.866 804 N CB -0.167 38.202 38.487 -0.196 0.000 0.970 804 N HN 0.107 nan 8.380 nan 0.000 0.462 805 A N -0.056 122.632 122.820 -0.221 0.000 2.445 805 A HA 0.078 4.397 4.320 -0.000 0.000 0.242 805 A C 0.846 178.212 177.584 -0.364 0.000 1.075 805 A CA -0.387 51.521 52.037 -0.214 0.000 0.777 805 A CB 0.145 19.092 19.000 -0.089 0.000 1.013 805 A HN 0.311 nan 8.150 nan 0.000 0.493 806 W N 1.576 122.607 121.300 -0.448 0.000 2.317 806 W HA -0.193 4.467 4.660 -0.000 0.000 0.318 806 W C 2.289 178.190 176.519 -1.031 0.000 1.227 806 W CA 1.968 58.746 57.345 -0.945 0.000 1.269 806 W CB -0.438 28.293 29.460 -1.215 0.000 1.155 806 W HN 0.553 nan 8.180 nan 0.000 0.484 807 V N 0.924 120.686 119.914 -0.254 0.000 2.282 807 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 807 V C 2.124 178.288 176.094 0.117 0.000 1.057 807 V CA 2.240 64.621 62.300 0.135 0.000 1.032 807 V CB -0.423 31.503 31.823 0.173 0.000 0.645 807 V HN 0.117 nan 8.190 nan 0.000 0.447 808 E N -0.550 119.638 120.200 -0.020 0.000 2.274 808 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 808 E C 2.333 178.907 176.600 -0.045 0.000 0.996 808 E CA 0.612 57.002 56.400 -0.016 0.000 0.840 808 E CB -0.189 29.483 29.700 -0.047 0.000 0.772 808 E HN 0.592 nan 8.360 nan 0.000 0.491 809 R N -0.386 120.027 120.500 -0.145 0.000 2.062 809 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 809 R C 2.157 178.439 176.300 -0.031 0.000 1.125 809 R CA 0.702 56.691 56.100 -0.185 0.000 0.966 809 R CB -0.154 29.891 30.300 -0.424 0.000 0.861 809 R HN 0.236 nan 8.270 nan 0.000 0.433 810 W N 1.724 123.010 121.300 -0.022 0.000 2.355 810 W HA -0.076 4.584 4.660 -0.000 0.000 0.309 810 W C 2.065 178.584 176.519 0.001 0.000 1.206 810 W CA 0.654 57.930 57.345 -0.116 0.000 1.284 810 W CB -0.782 28.763 29.460 0.141 0.000 1.145 810 W HN 0.090 nan 8.180 nan 0.000 0.502 811 K N -0.138 120.520 120.400 0.431 0.000 2.032 811 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 811 K C 2.144 178.829 176.600 0.141 0.000 1.048 811 K CA 1.783 58.263 56.287 0.322 0.000 0.927 811 K CB -0.496 32.120 32.500 0.193 0.000 0.712 811 K HN 0.001 nan 8.250 nan 0.000 0.441 812 A N 0.698 123.565 122.820 0.078 0.000 2.119 812 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 812 A C 2.106 179.671 177.584 -0.032 0.000 1.153 812 A CA 1.443 53.496 52.037 0.027 0.000 0.692 812 A CB -0.310 18.695 19.000 0.010 0.000 0.799 812 A HN 0.345 nan 8.150 nan 0.000 0.458 813 A N -1.845 120.942 122.820 -0.056 0.000 2.016 813 A HA 0.387 4.707 4.320 -0.000 0.000 0.217 813 A C 1.933 179.410 177.584 -0.178 0.000 1.162 813 A CA 1.557 53.534 52.037 -0.099 0.000 0.662 813 A CB -0.535 18.350 19.000 -0.192 0.000 0.812 813 A HN 1.714 nan 8.150 nan 0.000 0.450 814 G N -2.319 106.381 108.800 -0.168 0.000 2.201 814 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.212 814 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.212 814 G C 0.703 175.717 174.900 0.190 0.000 0.994 814 G CA 0.547 45.461 45.100 -0.310 0.000 0.644 814 G HN 0.658 nan 8.290 nan 0.000 0.508 815 H N -0.992 118.105 119.070 0.045 0.000 2.400 815 H HA -0.202 4.354 4.556 -0.000 0.000 0.295 815 H C 2.144 177.453 175.328 -0.033 0.000 1.118 815 H CA 1.777 57.852 56.048 0.044 0.000 1.256 815 H CB 0.020 29.716 29.762 -0.110 0.000 1.365 815 H HN 0.561 nan 8.280 nan 0.000 0.502 816 Y N 0.645 121.091 120.300 0.244 0.000 2.516 816 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 816 Y C 1.190 177.193 175.900 0.172 0.000 1.131 816 Y CA 0.770 58.972 58.100 0.169 0.000 1.281 816 Y CB 0.429 38.976 38.460 0.145 0.000 1.013 816 Y HN 0.355 nan 8.280 nan 0.000 0.554 817 Q N -0.940 119.063 119.800 0.337 0.000 2.227 817 Q HA 0.544 4.884 4.340 -0.000 0.000 0.332 817 Q C -0.511 175.701 176.000 0.354 0.000 0.878 817 Q CA -0.294 55.697 55.803 0.314 0.000 1.120 817 Q CB 0.569 29.479 28.738 0.287 0.000 1.315 817 Q HN 0.089 nan 8.270 nan 0.000 0.414 818 A N 1.524 124.574 122.820 0.383 0.000 2.320 818 A HA 0.380 4.700 4.320 -0.000 0.000 0.287 818 A C -0.073 177.806 177.584 0.493 0.000 1.181 818 A CA -0.553 51.756 52.037 0.453 0.000 0.831 818 A CB 0.393 19.687 19.000 0.490 0.000 1.102 818 A HN 0.361 nan 8.150 nan 0.000 0.513 819 E N 2.307 122.703 120.200 0.327 0.000 2.194 819 E HA 0.410 4.760 4.350 -0.000 0.000 0.284 819 E C 0.166 176.767 176.600 0.003 0.000 1.035 819 E CA -0.227 56.287 56.400 0.189 0.000 0.836 819 E CB 1.107 30.878 29.700 0.117 0.000 1.070 819 E HN 0.665 nan 8.360 nan 0.000 0.401 820 A N 2.893 125.580 122.820 -0.221 0.000 2.483 820 A HA 0.409 4.729 4.320 -0.000 0.000 0.238 820 A C 0.117 177.504 177.584 -0.328 0.000 1.070 820 A CA 0.110 51.672 52.037 -0.792 0.000 0.770 820 A CB 0.325 18.994 19.000 -0.552 0.000 1.008 820 A HN 0.686 nan 8.150 nan 0.000 0.497 821 A N 2.750 125.379 122.820 -0.319 0.000 2.815 821 A HA 0.506 4.826 4.320 -0.000 0.000 0.318 821 A C -0.364 177.172 177.584 -0.079 0.000 1.186 821 A CA -0.628 51.342 52.037 -0.112 0.000 0.754 821 A CB 0.086 19.046 19.000 -0.068 0.000 1.151 821 A HN 1.426 nan 8.150 nan 0.000 0.452 822 L N 2.116 123.312 121.223 -0.044 0.000 2.747 822 L HA -0.064 4.276 4.340 -0.000 0.000 0.286 822 L C 0.568 177.330 176.870 -0.181 0.000 1.216 822 L CA 0.783 55.489 54.840 -0.223 0.000 0.930 822 L CB -0.287 41.657 42.059 -0.192 0.000 1.216 822 L HN 0.735 nan 8.230 nan 0.000 0.486 823 L N 3.287 124.376 121.223 -0.223 0.000 2.500 823 L HA 0.288 4.628 4.340 -0.000 0.000 0.219 823 L C 0.529 177.335 176.870 -0.107 0.000 1.057 823 L CA 0.095 54.864 54.840 -0.119 0.000 0.854 823 L CB 0.144 42.160 42.059 -0.070 0.000 1.078 823 L HN 0.796 nan 8.230 nan 0.000 0.480 824 Q N -0.377 119.331 119.800 -0.154 0.000 2.438 824 Q HA 0.334 4.674 4.340 -0.000 0.000 0.272 824 Q C -2.038 173.896 176.000 -0.110 0.000 0.994 824 Q CA -0.561 55.183 55.803 -0.100 0.000 0.887 824 Q CB 2.834 31.539 28.738 -0.056 0.000 1.432 824 Q HN 0.050 nan 8.270 nan 0.000 0.392 825 C N 3.086 122.359 119.300 -0.044 0.000 2.727 825 C HA 0.788 5.248 4.460 -0.000 0.000 0.369 825 C C -1.166 173.887 174.990 0.105 0.000 1.067 825 C CA 0.473 59.498 59.018 0.010 0.000 1.273 825 C CB 0.731 28.463 27.740 -0.013 0.000 1.778 825 C HN 0.808 nan 8.230 nan 0.000 0.467 826 T N 3.159 117.754 114.554 0.067 0.000 2.916 826 T HA 0.846 5.196 4.350 -0.000 0.000 0.298 826 T C -0.395 174.195 174.700 -0.183 0.000 1.031 826 T CA 0.068 62.179 62.100 0.019 0.000 0.993 826 T CB 1.704 70.562 68.868 -0.016 0.000 1.045 826 T HN 1.644 nan 8.240 nan 0.000 0.454 827 A N 2.732 125.291 122.820 -0.435 0.000 2.330 827 A HA 0.921 5.241 4.320 -0.000 0.000 0.329 827 A C -0.865 176.498 177.584 -0.367 0.000 1.135 827 A CA -0.606 51.052 52.037 -0.630 0.000 0.817 827 A CB 1.112 19.353 19.000 -1.265 0.000 1.269 827 A HN 0.946 nan 8.150 nan 0.000 0.469 828 D N -1.285 118.937 120.400 -0.296 0.000 2.683 828 D HA 0.498 5.138 4.640 -0.000 0.000 0.246 828 D C -1.351 174.855 176.300 -0.156 0.000 1.238 828 D CA -0.058 53.833 54.000 -0.183 0.000 0.759 828 D CB 1.774 42.499 40.800 -0.126 0.000 1.349 828 D HN 0.414 nan 8.370 nan 0.000 0.426 829 T N 1.537 116.027 114.554 -0.106 0.000 2.807 829 T HA 0.611 4.961 4.350 -0.000 0.000 0.279 829 T C -0.619 174.047 174.700 -0.057 0.000 0.993 829 T CA -0.677 61.376 62.100 -0.079 0.000 0.970 829 T CB 0.683 69.521 68.868 -0.049 0.000 0.950 829 T HN 0.094 nan 8.240 nan 0.000 0.441 830 L N 1.425 122.617 121.223 -0.052 0.000 2.341 830 L HA 0.718 5.058 4.340 -0.000 0.000 0.267 830 L C 1.817 178.671 176.870 -0.027 0.000 1.022 830 L CA -1.006 53.812 54.840 -0.038 0.000 0.844 830 L CB -0.625 41.412 42.059 -0.037 0.000 1.436 830 L HN 0.680 nan 8.230 nan 0.000 0.483 831 A N -0.405 122.404 122.820 -0.020 0.000 2.015 831 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 831 A C 0.829 178.406 177.584 -0.012 0.000 1.163 831 A CA 1.731 53.760 52.037 -0.012 0.000 0.646 831 A CB -0.713 18.282 19.000 -0.008 0.000 0.806 831 A HN 0.848 nan 8.150 nan 0.000 0.448 832 D N -2.307 118.082 120.400 -0.018 0.000 2.503 832 D HA 0.562 5.202 4.640 -0.000 0.000 0.218 832 D C 0.185 176.468 176.300 -0.029 0.000 1.183 832 D CA 0.671 54.660 54.000 -0.018 0.000 0.827 832 D CB 0.428 41.220 40.800 -0.014 0.000 1.034 832 D HN 0.483 nan 8.370 nan 0.000 0.510 833 A N -0.388 122.408 122.820 -0.040 0.000 2.544 833 A HA 0.568 4.888 4.320 -0.000 0.000 0.291 833 A C -1.290 176.247 177.584 -0.079 0.000 1.055 833 A CA -0.857 51.143 52.037 -0.061 0.000 0.651 833 A CB 0.547 19.508 19.000 -0.065 0.000 1.296 833 A HN -0.013 nan 8.150 nan 0.000 0.431 834 V N -0.119 119.725 119.914 -0.116 0.000 2.904 834 V HA 0.697 4.817 4.120 -0.000 0.000 0.305 834 V C -0.210 175.786 176.094 -0.163 0.000 1.067 834 V CA -0.340 61.872 62.300 -0.148 0.000 1.044 834 V CB 1.431 33.146 31.823 -0.180 0.000 1.050 834 V HN 0.964 nan 8.190 nan 0.000 0.475 835 L N 3.784 124.894 121.223 -0.188 0.000 2.518 835 L HA 0.520 4.860 4.340 -0.000 0.000 0.262 835 L C -0.982 175.762 176.870 -0.210 0.000 0.982 835 L CA -0.079 54.663 54.840 -0.164 0.000 0.873 835 L CB 0.948 42.941 42.059 -0.109 0.000 1.198 835 L HN 0.440 nan 8.230 nan 0.000 0.427 836 I N 2.994 123.425 120.570 -0.232 0.000 2.331 836 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 836 I C 0.061 176.169 176.117 -0.015 0.000 0.998 836 I CA -0.175 60.962 61.300 -0.272 0.000 1.267 836 I CB 1.347 38.945 38.000 -0.671 0.000 1.386 836 I HN 0.491 nan 8.210 nan 0.000 0.476 837 T N 5.068 119.611 114.554 -0.018 0.000 2.809 837 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 837 T C 0.257 174.995 174.700 0.063 0.000 0.992 837 T CA -0.476 61.653 62.100 0.048 0.000 0.957 837 T CB 1.635 70.503 68.868 -0.000 0.000 0.942 837 T HN 0.811 nan 8.240 nan 0.000 0.439 838 T N -0.101 114.529 114.554 0.127 0.000 2.926 838 T HA 0.897 5.247 4.350 -0.000 0.000 0.289 838 T C -0.886 173.828 174.700 0.024 0.000 1.054 838 T CA -1.153 60.983 62.100 0.060 0.000 1.015 838 T CB 2.005 70.970 68.868 0.161 0.000 1.167 838 T HN 0.723 nan 8.240 nan 0.000 0.526 839 A N 1.454 124.193 122.820 -0.134 0.000 2.541 839 A HA 0.633 4.953 4.320 -0.000 0.000 0.285 839 A C -1.183 176.274 177.584 -0.210 0.000 1.058 839 A CA -0.782 51.221 52.037 -0.056 0.000 0.886 839 A CB 0.177 19.164 19.000 -0.022 0.000 1.411 839 A HN 0.964 nan 8.150 nan 0.000 0.403 840 H N 0.594 119.719 119.070 0.092 0.000 2.713 840 H HA 0.907 5.463 4.556 -0.000 0.000 0.340 840 H C 0.195 175.561 175.328 0.063 0.000 1.271 840 H CA 0.005 56.029 56.048 -0.040 0.000 1.306 840 H CB 1.925 31.527 29.762 -0.266 0.000 1.839 840 H HN 1.093 nan 8.280 nan 0.000 0.627 841 A N 0.744 123.580 122.820 0.028 0.000 2.465 841 A HA 0.324 4.644 4.320 -0.000 0.000 0.292 841 A C -1.718 175.911 177.584 0.076 0.000 1.041 841 A CA -0.726 51.427 52.037 0.193 0.000 0.718 841 A CB 1.038 20.120 19.000 0.136 0.000 1.266 841 A HN 0.518 nan 8.150 nan 0.000 0.403 842 W N 2.210 123.657 121.300 0.245 0.000 2.417 842 W HA 0.527 5.187 4.660 -0.000 0.000 0.317 842 W C -0.076 176.487 176.519 0.073 0.000 1.121 842 W CA -0.218 57.265 57.345 0.230 0.000 1.208 842 W CB 1.755 31.463 29.460 0.413 0.000 1.253 842 W HN 0.862 nan 8.180 nan 0.000 0.533 843 Q N 1.609 121.571 119.800 0.270 0.000 2.456 843 Q HA 0.455 4.795 4.340 -0.000 0.000 0.284 843 Q C -1.274 174.861 176.000 0.224 0.000 1.061 843 Q CA -1.028 54.876 55.803 0.168 0.000 0.799 843 Q CB 3.483 32.281 28.738 0.101 0.000 1.445 843 Q HN 0.445 nan 8.270 nan 0.000 0.411 844 H N 1.135 120.248 119.070 0.072 0.000 2.771 844 H HA 0.125 4.681 4.556 -0.000 0.000 0.361 844 H C -0.835 174.532 175.328 0.065 0.000 1.108 844 H CA -0.256 55.844 56.048 0.088 0.000 1.201 844 H CB 1.556 31.384 29.762 0.109 0.000 1.681 844 H HN 0.872 nan 8.280 nan 0.000 0.534 845 Q N 3.040 122.639 119.800 -0.335 0.000 2.388 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.346 845 Q C 0.834 176.813 176.000 -0.035 0.000 1.319 845 Q CA 1.023 56.695 55.803 -0.218 0.000 1.023 845 Q CB -1.554 27.028 28.738 -0.259 0.000 1.247 845 Q HN 1.083 nan 8.270 nan 0.000 0.411 846 G N 0.030 108.828 108.800 -0.005 0.000 2.147 846 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.244 846 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.244 846 G C -0.108 174.818 174.900 0.043 0.000 1.005 846 G CA 0.642 45.754 45.100 0.021 0.000 0.713 846 G HN 0.486 nan 8.290 nan 0.000 0.515 847 K N 0.402 120.843 120.400 0.069 0.000 2.397 847 K HA 0.642 4.962 4.320 -0.000 0.000 0.253 847 K C 0.101 176.726 176.600 0.040 0.000 0.932 847 K CA -0.296 56.028 56.287 0.061 0.000 0.795 847 K CB 1.196 33.740 32.500 0.074 0.000 1.159 847 K HN 0.034 nan 8.250 nan 0.000 0.424 848 T N 5.398 119.959 114.554 0.012 0.000 2.992 848 T HA 0.185 4.535 4.350 -0.000 0.000 0.299 848 T C 1.339 175.959 174.700 -0.134 0.000 1.027 848 T CA -0.529 61.563 62.100 -0.013 0.000 1.001 848 T CB -0.072 68.817 68.868 0.035 0.000 1.005 848 T HN 0.513 nan 8.240 nan 0.000 0.599 849 L N 1.405 122.416 121.223 -0.354 0.000 2.005 849 L HA 0.163 4.503 4.340 -0.000 0.000 0.207 849 L C 0.128 176.347 176.870 -1.086 0.000 1.072 849 L CA 1.327 55.588 54.840 -0.966 0.000 0.744 849 L CB -0.269 40.714 42.059 -1.794 0.000 0.895 849 L HN 0.522 nan 8.230 nan 0.000 0.433 850 F N -1.740 118.202 119.950 -0.014 0.000 2.631 850 F HA 0.586 5.113 4.527 -0.000 0.000 0.308 850 F C -0.587 175.396 175.800 0.305 0.000 1.097 850 F CA -0.882 57.083 58.000 -0.057 0.000 0.952 850 F CB 1.573 40.182 39.000 -0.652 0.000 1.307 850 F HN -0.316 nan 8.300 nan 0.000 0.450 851 I N 1.709 122.549 120.570 0.450 0.000 2.439 851 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 851 I C -0.651 175.758 176.117 0.487 0.000 1.021 851 I CA -0.403 61.174 61.300 0.462 0.000 1.091 851 I CB 1.989 40.151 38.000 0.270 0.000 1.242 851 I HN 0.686 nan 8.210 nan 0.000 0.439 852 S N 7.014 123.130 115.700 0.693 0.000 2.549 852 S HA 0.657 5.127 4.470 -0.000 0.000 0.297 852 S C -0.614 174.236 174.600 0.417 0.000 1.115 852 S CA -0.577 57.974 58.200 0.584 0.000 1.059 852 S CB 1.020 64.668 63.200 0.746 0.000 1.046 852 S HN 0.597 nan 8.310 nan 0.000 0.506 853 R N 2.901 123.571 120.500 0.285 0.000 2.518 853 R HA 0.365 4.705 4.340 -0.000 0.000 0.296 853 R C -1.088 175.280 176.300 0.113 0.000 1.080 853 R CA -0.633 55.581 56.100 0.190 0.000 0.922 853 R CB 1.800 32.187 30.300 0.145 0.000 1.184 853 R HN 0.650 nan 8.270 nan 0.000 0.445 854 K N 0.689 121.142 120.400 0.087 0.000 2.352 854 K HA 0.568 4.888 4.320 -0.000 0.000 0.240 854 K C -0.396 176.170 176.600 -0.057 0.000 1.017 854 K CA -0.989 55.262 56.287 -0.060 0.000 0.851 854 K CB 2.232 34.601 32.500 -0.218 0.000 1.261 854 K HN 0.450 nan 8.250 nan 0.000 0.451 855 T N -0.911 113.546 114.554 -0.161 0.000 2.949 855 T HA 0.447 4.797 4.350 -0.000 0.000 0.300 855 T C -1.362 173.263 174.700 -0.126 0.000 0.988 855 T CA -0.737 61.321 62.100 -0.070 0.000 0.993 855 T CB 0.090 68.942 68.868 -0.026 0.000 0.984 855 T HN 0.408 nan 8.240 nan 0.000 0.442 856 Y N 2.139 122.413 120.300 -0.043 0.000 2.360 856 Y HA 0.729 5.279 4.550 -0.000 0.000 0.337 856 Y C 0.687 176.517 175.900 -0.116 0.000 1.039 856 Y CA -1.349 56.726 58.100 -0.042 0.000 1.109 856 Y CB 1.530 39.992 38.460 0.004 0.000 1.201 856 Y HN 0.715 nan 8.280 nan 0.000 0.458 857 R N 4.675 125.204 120.500 0.049 0.000 2.518 857 R HA 0.499 4.839 4.340 -0.000 0.000 0.296 857 R C -1.993 174.246 176.300 -0.103 0.000 1.080 857 R CA -0.342 55.729 56.100 -0.048 0.000 0.922 857 R CB 0.807 31.086 30.300 -0.035 0.000 1.184 857 R HN 0.801 nan 8.270 nan 0.000 0.445 858 I N 4.102 124.548 120.570 -0.207 0.000 2.385 858 I HA 0.310 4.480 4.170 -0.000 0.000 0.294 858 I C 0.003 175.997 176.117 -0.204 0.000 0.988 858 I CA -0.648 60.457 61.300 -0.325 0.000 1.265 858 I CB 1.438 39.070 38.000 -0.614 0.000 1.388 858 I HN 0.681 nan 8.210 nan 0.000 0.480 859 D N 3.852 124.162 120.400 -0.151 0.000 2.687 859 D HA 0.295 4.935 4.640 -0.000 0.000 0.264 859 D C 1.040 177.315 176.300 -0.042 0.000 1.091 859 D CA -0.544 53.409 54.000 -0.078 0.000 1.123 859 D CB 0.990 41.760 40.800 -0.050 0.000 1.407 859 D HN 0.527 nan 8.370 nan 0.000 0.591 860 G N -0.154 108.631 108.800 -0.024 0.000 2.513 860 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 860 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 860 G C 1.319 176.221 174.900 0.002 0.000 1.160 860 G CA 1.665 46.761 45.100 -0.007 0.000 0.767 860 G HN 0.512 nan 8.290 nan 0.000 0.571 861 S N 0.207 115.900 115.700 -0.011 0.000 2.420 861 S HA 0.108 4.578 4.470 -0.000 0.000 0.237 861 S C 2.104 176.724 174.600 0.035 0.000 1.023 861 S CA 1.627 59.826 58.200 -0.002 0.000 0.991 861 S CB -0.367 62.829 63.200 -0.006 0.000 0.792 861 S HN 1.646 nan 8.310 nan 0.000 0.488 862 G N 0.433 109.267 108.800 0.056 0.000 2.176 862 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 862 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 862 G C -0.203 174.762 174.900 0.109 0.000 0.986 862 G CA -0.244 44.947 45.100 0.151 0.000 0.643 862 G HN 0.529 nan 8.290 nan 0.000 0.522 863 Q N 0.220 120.035 119.800 0.025 0.000 2.288 863 Q HA 0.542 4.882 4.340 -0.000 0.000 0.258 863 Q C 0.389 176.360 176.000 -0.048 0.000 0.957 863 Q CA -0.005 55.809 55.803 0.019 0.000 0.919 863 Q CB 1.265 30.021 28.738 0.029 0.000 1.185 863 Q HN 0.491 nan 8.270 nan 0.000 0.408 864 M N 2.554 122.132 119.600 -0.036 0.000 2.080 864 M HA 0.457 4.937 4.480 -0.000 0.000 0.350 864 M C -1.246 175.111 176.300 0.096 0.000 1.143 864 M CA -0.466 54.795 55.300 -0.065 0.000 1.064 864 M CB 0.573 33.077 32.600 -0.159 0.000 1.429 864 M HN 0.643 nan 8.290 nan 0.000 0.418 865 A N 7.376 130.236 122.820 0.066 0.000 2.252 865 A HA 0.590 4.910 4.320 -0.000 0.000 0.309 865 A C -0.123 177.493 177.584 0.053 0.000 1.285 865 A CA -0.807 51.280 52.037 0.083 0.000 0.900 865 A CB 0.167 19.200 19.000 0.054 0.000 1.157 865 A HN 0.918 nan 8.150 nan 0.000 0.536 866 I N 0.872 121.466 120.570 0.041 0.000 2.970 866 I HA 0.495 4.665 4.170 -0.000 0.000 0.310 866 I C 0.283 176.292 176.117 -0.181 0.000 1.010 866 I CA -0.215 61.015 61.300 -0.117 0.000 1.228 866 I CB 1.274 39.218 38.000 -0.094 0.000 1.433 866 I HN 0.470 nan 8.210 nan 0.000 0.573 867 T N 2.475 116.849 114.554 -0.301 0.000 3.548 867 T HA 0.362 4.712 4.350 -0.000 0.000 0.329 867 T C -0.744 173.745 174.700 -0.351 0.000 0.960 867 T CA -0.357 61.571 62.100 -0.287 0.000 1.041 867 T CB 1.399 70.189 68.868 -0.130 0.000 1.065 867 T HN 0.307 nan 8.240 nan 0.000 0.459 868 V N 3.292 122.878 119.914 -0.547 0.000 2.513 868 V HA 0.639 4.759 4.120 -0.000 0.000 0.299 868 V C -0.438 175.540 176.094 -0.194 0.000 1.035 868 V CA -0.812 61.220 62.300 -0.446 0.000 0.889 868 V CB 2.000 33.286 31.823 -0.894 0.000 0.988 868 V HN 0.789 nan 8.190 nan 0.000 0.440 869 D N 2.843 123.267 120.400 0.040 0.000 2.358 869 D HA 0.350 4.990 4.640 -0.000 0.000 0.253 869 D C -0.718 175.717 176.300 0.225 0.000 1.288 869 D CA -0.054 54.059 54.000 0.187 0.000 0.950 869 D CB 2.278 43.209 40.800 0.218 0.000 1.197 869 D HN 0.293 nan 8.370 nan 0.000 0.550 870 V N 1.535 121.626 119.914 0.296 0.000 2.607 870 V HA 0.294 4.414 4.120 -0.000 0.000 0.289 870 V C 0.537 176.774 176.094 0.237 0.000 1.053 870 V CA -0.384 62.088 62.300 0.286 0.000 0.996 870 V CB 2.026 34.033 31.823 0.307 0.000 0.995 870 V HN 0.347 nan 8.190 nan 0.000 0.476 871 E N 2.092 122.409 120.200 0.195 0.000 2.218 871 E HA 0.582 4.932 4.350 -0.000 0.000 0.263 871 E C -1.626 175.068 176.600 0.157 0.000 0.879 871 E CA -0.415 56.079 56.400 0.157 0.000 0.762 871 E CB 2.219 32.003 29.700 0.140 0.000 1.166 871 E HN 0.521 nan 8.360 nan 0.000 0.415 872 V N 2.092 122.102 119.914 0.159 0.000 2.581 872 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 872 V C 0.165 176.335 176.094 0.128 0.000 1.041 872 V CA -1.007 61.396 62.300 0.173 0.000 0.907 872 V CB 1.619 33.567 31.823 0.207 0.000 0.994 872 V HN 0.827 nan 8.190 nan 0.000 0.442 873 A N 2.653 125.520 122.820 0.078 0.000 2.522 873 A HA 0.278 4.598 4.320 -0.000 0.000 0.256 873 A C 1.665 179.314 177.584 0.107 0.000 1.086 873 A CA 0.642 52.712 52.037 0.054 0.000 0.763 873 A CB 0.189 19.181 19.000 -0.012 0.000 1.024 873 A HN 1.341 nan 8.150 nan 0.000 0.502 874 S N 1.746 117.504 115.700 0.098 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.845 175.519 174.600 0.122 0.000 1.025 874 S CA 1.739 60.011 58.200 0.120 0.000 0.993 874 S CB -0.500 62.753 63.200 0.088 0.000 0.808 874 S HN 0.787 nan 8.310 nan 0.000 0.478 875 D N 0.274 120.726 120.400 0.086 0.000 2.325 875 D HA 0.199 4.839 4.640 -0.000 0.000 0.234 875 D C 0.250 176.596 176.300 0.076 0.000 1.122 875 D CA 0.041 54.081 54.000 0.067 0.000 0.850 875 D CB -0.241 40.585 40.800 0.042 0.000 0.921 875 D HN 0.229 nan 8.370 nan 0.000 0.513 876 T N 1.492 116.123 114.554 0.129 0.000 2.779 876 T HA 0.368 4.718 4.350 -0.000 0.000 0.280 876 T C -2.678 172.170 174.700 0.247 0.000 0.987 876 T CA -2.378 59.833 62.100 0.185 0.000 0.966 876 T CB 0.950 69.957 68.868 0.231 0.000 0.933 876 T HN -0.193 nan 8.240 nan 0.000 0.442 877 P HA -0.067 nan 4.420 nan 0.000 0.257 877 P C -0.300 177.323 177.300 0.539 0.000 1.153 877 P CA 0.135 63.349 63.100 0.190 0.000 0.762 877 P CB 0.014 31.816 31.700 0.169 0.000 0.743 878 H N 4.064 123.504 119.070 0.618 0.000 3.195 878 H HA -0.020 4.536 4.556 -0.000 0.000 0.302 878 H C -1.873 173.800 175.328 0.576 0.000 0.950 878 H CA -1.322 55.035 56.048 0.514 0.000 1.398 878 H CB -0.995 29.021 29.762 0.422 0.000 1.377 878 H HN 0.339 nan 8.280 nan 0.000 0.572 879 P HA 0.056 nan 4.420 nan 0.000 0.271 879 P C 0.573 177.697 177.300 -0.293 0.000 1.216 879 P CA -0.151 62.914 63.100 -0.058 0.000 0.771 879 P CB 0.718 32.252 31.700 -0.276 0.000 0.864 880 A N 4.508 126.850 122.820 -0.796 0.000 1.997 880 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 880 A C 1.043 178.354 177.584 -0.454 0.000 1.172 880 A CA 1.658 53.337 52.037 -0.597 0.000 0.645 880 A CB -0.662 17.856 19.000 -0.803 0.000 0.813 880 A HN 0.775 nan 8.150 nan 0.000 0.454 881 R N -3.268 116.918 120.500 -0.522 0.000 2.728 881 R HA 0.741 5.081 4.340 -0.000 0.000 0.274 881 R C -1.737 174.342 176.300 -0.369 0.000 1.030 881 R CA -0.873 54.912 56.100 -0.526 0.000 0.876 881 R CB 0.729 30.534 30.300 -0.825 0.000 1.259 881 R HN 0.039 nan 8.270 nan 0.000 0.468 882 I N 0.942 121.333 120.570 -0.299 0.000 2.503 882 I HA 0.668 4.838 4.170 -0.000 0.000 0.282 882 I C -0.392 175.559 176.117 -0.277 0.000 1.059 882 I CA -0.351 60.857 61.300 -0.153 0.000 1.081 882 I CB 1.955 39.917 38.000 -0.063 0.000 1.210 882 I HN 0.997 nan 8.210 nan 0.000 0.450 883 G N 5.745 114.363 108.800 -0.304 0.000 2.494 883 G HA2 0.718 4.678 3.960 -0.000 0.000 0.308 883 G HA3 0.718 4.678 3.960 -0.000 0.000 0.308 883 G C -1.789 172.991 174.900 -0.200 0.000 1.263 883 G CA -0.602 44.321 45.100 -0.294 0.000 0.840 883 G HN 0.319 nan 8.290 nan 0.000 0.479 884 L N 0.541 121.680 121.223 -0.140 0.000 2.303 884 L HA 0.760 5.099 4.340 -0.000 0.000 0.256 884 L C -0.543 176.232 176.870 -0.157 0.000 1.034 884 L CA -1.096 53.666 54.840 -0.130 0.000 0.832 884 L CB 2.527 44.578 42.059 -0.014 0.000 1.403 884 L HN 0.878 nan 8.230 nan 0.000 0.419 885 N N 0.082 118.709 118.700 -0.122 0.000 3.046 885 N HA 0.660 5.400 4.740 -0.000 0.000 0.243 885 N C -1.477 174.009 175.510 -0.040 0.000 1.452 885 N CA -0.562 52.445 53.050 -0.072 0.000 0.882 885 N CB 2.166 40.655 38.487 0.004 0.000 1.425 885 N HN 0.929 nan 8.380 nan 0.000 0.517 886 C N -1.644 117.630 119.300 -0.043 0.000 3.292 886 C HA 0.499 4.959 4.460 -0.000 0.000 0.368 886 C C -0.825 173.926 174.990 -0.397 0.000 1.141 886 C CA -0.910 58.020 59.018 -0.148 0.000 1.194 886 C CB 0.746 28.448 27.740 -0.064 0.000 1.533 886 C HN 0.899 nan 8.230 nan 0.000 0.532 887 Q N 2.307 121.653 119.800 -0.757 0.000 2.307 887 Q HA 0.571 4.911 4.340 -0.000 0.000 0.259 887 Q C -0.327 175.359 176.000 -0.523 0.000 0.998 887 Q CA -0.345 54.800 55.803 -1.097 0.000 0.923 887 Q CB 0.556 28.394 28.738 -1.501 0.000 1.196 887 Q HN 0.756 nan 8.270 nan 0.000 0.416 888 L N 2.365 123.360 121.223 -0.379 0.000 2.470 888 L HA 0.230 4.570 4.340 -0.000 0.000 0.243 888 L C 0.836 177.586 176.870 -0.199 0.000 1.227 888 L CA 0.275 55.001 54.840 -0.190 0.000 0.824 888 L CB 0.327 42.347 42.059 -0.066 0.000 1.175 888 L HN 0.862 nan 8.230 nan 0.000 0.503 889 A N -0.334 122.402 122.820 -0.140 0.000 2.138 889 A HA 0.087 4.407 4.320 -0.000 0.000 0.203 889 A C 0.804 178.327 177.584 -0.102 0.000 1.286 889 A CA -0.034 51.922 52.037 -0.135 0.000 0.929 889 A CB 0.105 19.021 19.000 -0.141 0.000 0.975 889 A HN 0.741 nan 8.150 nan 0.000 0.480 890 Q N -0.362 119.381 119.800 -0.094 0.000 2.526 890 Q HA 0.454 4.794 4.340 -0.000 0.000 0.207 890 Q C -1.016 174.936 176.000 -0.081 0.000 1.078 890 Q CA 0.428 56.167 55.803 -0.106 0.000 1.041 890 Q CB 0.745 29.391 28.738 -0.154 0.000 1.228 890 Q HN 0.236 nan 8.270 nan 0.000 0.603 891 V N 1.368 121.219 119.914 -0.105 0.000 2.735 891 V HA 0.568 4.688 4.120 -0.000 0.000 0.276 891 V C -1.140 174.921 176.094 -0.054 0.000 1.083 891 V CA -0.077 62.217 62.300 -0.011 0.000 0.923 891 V CB 1.015 32.841 31.823 0.004 0.000 1.053 891 V HN 0.890 nan 8.190 nan 0.000 0.471 892 A N 3.150 125.923 122.820 -0.078 0.000 2.269 892 A HA 0.919 5.239 4.320 -0.000 0.000 0.327 892 A C 0.794 178.480 177.584 0.169 0.000 1.112 892 A CA -0.306 51.701 52.037 -0.050 0.000 0.865 892 A CB 1.131 19.964 19.000 -0.280 0.000 1.227 892 A HN 0.616 nan 8.150 nan 0.000 0.498 893 E N 0.471 120.742 120.200 0.119 0.000 2.008 893 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 893 E C 0.717 177.424 176.600 0.179 0.000 0.986 893 E CA 1.088 57.564 56.400 0.125 0.000 0.807 893 E CB -0.176 29.569 29.700 0.075 0.000 0.766 893 E HN 0.636 nan 8.360 nan 0.000 0.450 894 R N -0.237 120.377 120.500 0.190 0.000 2.541 894 R HA 0.586 4.926 4.340 -0.000 0.000 0.254 894 R C -0.453 176.027 176.300 0.299 0.000 1.130 894 R CA -0.672 55.552 56.100 0.207 0.000 1.152 894 R CB 1.039 31.426 30.300 0.145 0.000 1.222 894 R HN -0.127 nan 8.270 nan 0.000 0.579 895 V N 0.923 120.998 119.914 0.268 0.000 2.668 895 V HA 0.284 4.404 4.120 -0.000 0.000 0.304 895 V C -0.971 175.345 176.094 0.370 0.000 1.071 895 V CA -0.892 61.599 62.300 0.318 0.000 0.894 895 V CB 1.926 33.919 31.823 0.283 0.000 1.008 895 V HN 0.722 nan 8.190 nan 0.000 0.425 896 N N 3.942 122.849 118.700 0.345 0.000 2.310 896 N HA 0.590 5.330 4.740 -0.000 0.000 0.292 896 N C -1.637 174.060 175.510 0.312 0.000 1.049 896 N CA -0.343 52.828 53.050 0.202 0.000 0.849 896 N CB 2.934 41.477 38.487 0.093 0.000 1.532 896 N HN 0.786 nan 8.380 nan 0.000 0.479 897 W N 3.276 124.624 121.300 0.080 0.000 3.137 897 W HA 0.587 5.247 4.660 -0.000 0.000 0.324 897 W C -2.254 174.257 176.519 -0.015 0.000 1.253 897 W CA -1.052 56.335 57.345 0.070 0.000 1.183 897 W CB 0.606 30.176 29.460 0.183 0.000 1.424 897 W HN 0.285 nan 8.180 nan 0.000 0.566 898 L N 3.989 125.247 121.223 0.057 0.000 2.345 898 L HA 0.944 5.284 4.340 -0.000 0.000 0.274 898 L C -0.084 176.762 176.870 -0.041 0.000 0.999 898 L CA 0.297 54.991 54.840 -0.244 0.000 0.849 898 L CB 0.952 42.879 42.059 -0.220 0.000 1.220 898 L HN 1.087 nan 8.230 nan 0.000 0.422 899 G N 3.738 112.467 108.800 -0.119 0.000 2.364 899 G HA2 0.224 4.184 3.960 -0.000 0.000 0.286 899 G HA3 0.224 4.184 3.960 -0.000 0.000 0.286 899 G C -1.629 173.444 174.900 0.289 0.000 1.241 899 G CA -1.029 44.163 45.100 0.154 0.000 0.887 899 G HN 0.410 nan 8.290 nan 0.000 0.484 900 L N 1.471 122.894 121.223 0.333 0.000 2.313 900 L HA 0.610 4.950 4.340 -0.000 0.000 0.282 900 L C 0.932 177.905 176.870 0.173 0.000 1.092 900 L CA 0.342 55.322 54.840 0.234 0.000 0.831 900 L CB 0.379 42.495 42.059 0.094 0.000 1.159 900 L HN 0.970 nan 8.230 nan 0.000 0.442 901 G N 3.479 112.267 108.800 -0.019 0.000 2.619 901 G HA2 0.479 4.439 3.960 -0.000 0.000 0.305 901 G HA3 0.479 4.439 3.960 -0.000 0.000 0.305 901 G C -2.799 171.415 174.900 -1.143 0.000 1.330 901 G CA -0.368 44.352 45.100 -0.632 0.000 0.789 901 G HN 0.272 nan 8.290 nan 0.000 0.487 902 P HA 0.158 nan 4.420 nan 0.000 0.226 902 P C 0.710 177.801 177.300 -0.349 0.000 1.160 902 P CA 0.303 62.885 63.100 -0.863 0.000 0.837 902 P CB 0.524 31.793 31.700 -0.718 0.000 0.860 903 Q N 0.640 120.231 119.800 -0.348 0.000 2.524 903 Q HA 0.011 4.351 4.340 -0.000 0.000 0.246 903 Q C 0.617 176.477 176.000 -0.233 0.000 1.063 903 Q CA -0.042 55.621 55.803 -0.233 0.000 0.945 903 Q CB 0.371 28.997 28.738 -0.188 0.000 1.292 903 Q HN 0.135 nan 8.270 nan 0.000 0.518 904 E N 0.871 120.952 120.200 -0.198 0.000 2.521 904 E HA -0.174 4.176 4.350 -0.000 0.000 0.270 904 E C -1.156 175.349 176.600 -0.158 0.000 1.082 904 E CA 0.580 56.865 56.400 -0.191 0.000 0.997 904 E CB 0.308 29.965 29.700 -0.072 0.000 0.990 904 E HN 0.667 nan 8.360 nan 0.000 0.458 905 N N 1.077 119.655 118.700 -0.202 0.000 2.827 905 N HA 0.185 4.925 4.740 -0.000 0.000 0.248 905 N C -1.946 173.404 175.510 -0.267 0.000 1.074 905 N CA -0.624 52.346 53.050 -0.133 0.000 1.042 905 N CB 0.236 38.623 38.487 -0.166 0.000 1.684 905 N HN 0.259 nan 8.380 nan 0.000 0.542 906 Y N 0.966 121.130 120.300 -0.227 0.000 2.654 906 Y HA 0.603 5.153 4.550 -0.000 0.000 0.328 906 Y C -1.469 174.302 175.900 -0.214 0.000 1.174 906 Y CA -2.147 55.795 58.100 -0.264 0.000 1.293 906 Y CB 0.561 38.835 38.460 -0.309 0.000 1.464 906 Y HN 0.399 nan 8.280 nan 0.000 0.559 907 P HA -0.083 nan 4.420 nan 0.000 0.217 907 P C 0.244 177.401 177.300 -0.240 0.000 1.151 907 P CA 1.748 64.823 63.100 -0.042 0.000 0.828 907 P CB 0.146 31.910 31.700 0.107 0.000 0.788 908 D N -1.247 118.795 120.400 -0.596 0.000 2.460 908 D HA 0.026 4.666 4.640 -0.000 0.000 0.229 908 D C 0.477 176.570 176.300 -0.346 0.000 1.170 908 D CA -0.179 53.240 54.000 -0.969 0.000 0.827 908 D CB -0.367 39.543 40.800 -1.483 0.000 0.973 908 D HN 0.084 nan 8.370 nan 0.000 0.496 909 R N 0.797 121.200 120.500 -0.161 0.000 2.714 909 R HA 0.153 4.493 4.340 -0.000 0.000 0.214 909 R C -0.793 175.504 176.300 -0.005 0.000 1.474 909 R CA -0.135 55.937 56.100 -0.048 0.000 1.435 909 R CB -0.213 30.052 30.300 -0.059 0.000 1.517 909 R HN 0.143 nan 8.270 nan 0.000 0.748 910 L N -2.117 119.116 121.223 0.017 0.000 3.410 910 L HA 0.365 4.705 4.340 -0.000 0.000 0.309 910 L C 1.385 178.284 176.870 0.050 0.000 1.254 910 L CA 0.197 55.047 54.840 0.017 0.000 1.048 910 L CB 0.378 42.432 42.059 -0.008 0.000 1.442 910 L HN 0.107 nan 8.230 nan 0.000 0.615 911 T N -1.994 112.612 114.554 0.086 0.000 2.803 911 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 911 T C 1.740 176.428 174.700 -0.019 0.000 1.052 911 T CA 1.560 63.722 62.100 0.104 0.000 1.136 911 T CB -0.282 68.708 68.868 0.204 0.000 0.864 911 T HN 0.439 nan 8.240 nan 0.000 0.467 912 A N 1.341 124.173 122.820 0.021 0.000 2.119 912 A HA 0.659 4.979 4.320 -0.000 0.000 0.216 912 A C 1.596 179.234 177.584 0.090 0.000 1.152 912 A CA 0.501 52.545 52.037 0.010 0.000 0.708 912 A CB -0.820 18.311 19.000 0.219 0.000 0.805 912 A HN 0.859 nan 8.150 nan 0.000 0.460 913 A N -0.415 122.412 122.820 0.012 0.000 2.409 913 A HA 0.452 4.772 4.320 -0.000 0.000 0.267 913 A C 0.198 177.794 177.584 0.021 0.000 1.127 913 A CA -0.282 51.735 52.037 -0.034 0.000 0.795 913 A CB -0.389 18.579 19.000 -0.054 0.000 1.061 913 A HN 0.456 nan 8.150 nan 0.000 0.502 914 C N 1.452 120.757 119.300 0.010 0.000 2.364 914 C HA 0.522 4.982 4.460 -0.000 0.000 0.356 914 C C 0.186 175.298 174.990 0.203 0.000 1.201 914 C CA -0.398 58.683 59.018 0.105 0.000 2.227 914 C CB 0.225 28.020 27.740 0.093 0.000 2.387 914 C HN 0.775 nan 8.230 nan 0.000 0.546 915 F N 2.639 122.488 119.950 -0.168 0.000 2.350 915 F HA 0.529 5.056 4.527 -0.000 0.000 0.365 915 F C -0.038 175.490 175.800 -0.453 0.000 1.122 915 F CA 0.457 58.244 58.000 -0.355 0.000 1.139 915 F CB -0.160 38.212 39.000 -1.046 0.000 1.220 915 F HN 0.728 nan 8.300 nan 0.000 0.499 916 D N 2.868 122.641 120.400 -1.044 0.000 3.103 916 D HA 0.318 4.958 4.640 -0.000 0.000 0.337 916 D C -1.548 173.871 176.300 -1.467 0.000 1.356 916 D CA -0.768 52.480 54.000 -1.253 0.000 0.951 916 D CB 1.143 41.158 40.800 -1.307 0.000 1.438 916 D HN 0.492 nan 8.370 nan 0.000 0.562 917 R N 0.372 120.068 120.500 -1.340 0.000 2.255 917 R HA 0.575 4.915 4.340 -0.000 0.000 0.326 917 R C -1.459 174.015 176.300 -1.377 0.000 0.986 917 R CA -0.410 55.020 56.100 -1.117 0.000 0.847 917 R CB 0.423 30.329 30.300 -0.656 0.000 1.111 917 R HN 0.359 nan 8.270 nan 0.000 0.452 918 W N 2.833 123.559 121.300 -0.956 0.000 2.632 918 W HA 0.335 4.995 4.660 -0.000 0.000 0.328 918 W C -0.723 175.249 176.519 -0.910 0.000 1.044 918 W CA -0.799 55.933 57.345 -1.021 0.000 1.225 918 W CB 1.923 30.402 29.460 -1.633 0.000 1.396 918 W HN 0.468 nan 8.180 nan 0.000 0.499 919 D N 3.275 123.527 120.400 -0.246 0.000 2.549 919 D HA 0.614 5.254 4.640 -0.000 0.000 0.251 919 D C -1.296 175.026 176.300 0.036 0.000 1.153 919 D CA -0.234 53.710 54.000 -0.093 0.000 0.861 919 D CB 0.823 41.583 40.800 -0.068 0.000 1.207 919 D HN 0.332 nan 8.370 nan 0.000 0.543 920 L N 3.079 124.397 121.223 0.158 0.000 2.393 920 L HA 0.707 5.047 4.340 -0.000 0.000 0.260 920 L C -2.362 174.609 176.870 0.169 0.000 1.002 920 L CA -2.407 52.534 54.840 0.168 0.000 0.818 920 L CB 2.093 44.276 42.059 0.207 0.000 1.369 920 L HN 0.187 nan 8.230 nan 0.000 0.412 921 P HA -0.002 nan 4.420 nan 0.000 0.268 921 P C 0.680 178.051 177.300 0.118 0.000 1.205 921 P CA -0.311 62.857 63.100 0.113 0.000 0.771 921 P CB 0.981 32.731 31.700 0.083 0.000 0.858 922 L N 3.332 124.625 121.223 0.116 0.000 2.197 922 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 922 L C 2.481 179.399 176.870 0.079 0.000 1.095 922 L CA 2.391 57.279 54.840 0.081 0.000 0.764 922 L CB -1.275 40.834 42.059 0.083 0.000 0.897 922 L HN 0.449 nan 8.230 nan 0.000 0.436 923 S N -0.826 114.926 115.700 0.086 0.000 2.368 923 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 923 S C 1.386 176.049 174.600 0.106 0.000 1.030 923 S CA 1.405 59.664 58.200 0.099 0.000 0.999 923 S CB -0.491 62.760 63.200 0.083 0.000 0.844 923 S HN 0.582 nan 8.310 nan 0.000 0.459 924 D N 1.123 121.568 120.400 0.076 0.000 2.355 924 D HA 0.107 4.747 4.640 -0.000 0.000 0.253 924 D C 0.676 176.994 176.300 0.030 0.000 1.187 924 D CA 0.380 54.407 54.000 0.045 0.000 0.900 924 D CB 0.057 40.883 40.800 0.045 0.000 0.915 924 D HN 0.503 nan 8.370 nan 0.000 0.516 925 M N -0.628 119.005 119.600 0.056 0.000 2.416 925 M HA 0.117 4.597 4.480 -0.000 0.000 0.337 925 M C -0.369 175.965 176.300 0.056 0.000 1.074 925 M CA -0.387 54.917 55.300 0.006 0.000 0.968 925 M CB 0.450 33.042 32.600 -0.014 0.000 1.472 925 M HN -0.069 nan 8.290 nan 0.000 0.539 926 Y N 0.707 120.976 120.300 -0.051 0.000 2.376 926 Y HA 0.535 5.085 4.550 -0.000 0.000 0.340 926 Y C -0.893 174.932 175.900 -0.126 0.000 0.965 926 Y CA -0.595 57.477 58.100 -0.047 0.000 1.078 926 Y CB 1.525 40.009 38.460 0.039 0.000 1.193 926 Y HN -0.117 nan 8.280 nan 0.000 0.452 927 T N 9.514 123.653 114.554 -0.691 0.000 2.801 927 T HA 0.235 4.585 4.350 -0.000 0.000 0.306 927 T C -2.220 171.692 174.700 -1.314 0.000 1.020 927 T CA -1.438 60.116 62.100 -0.910 0.000 0.948 927 T CB 0.981 69.417 68.868 -0.721 0.000 0.962 927 T HN 0.497 nan 8.240 nan 0.000 0.465 928 P HA -0.082 nan 4.420 nan 0.000 0.261 928 P C -0.230 176.788 177.300 -0.471 0.000 1.277 928 P CA 0.076 62.654 63.100 -0.870 0.000 0.748 928 P CB -0.803 30.503 31.700 -0.658 0.000 1.062 929 Y N -0.409 119.755 120.300 -0.227 0.000 2.867 929 Y HA -0.129 4.421 4.550 -0.000 0.000 0.367 929 Y C 2.242 178.140 175.900 -0.004 0.000 1.310 929 Y CA -0.117 57.947 58.100 -0.060 0.000 1.655 929 Y CB -0.900 37.500 38.460 -0.099 0.000 1.181 929 Y HN -0.184 nan 8.280 nan 0.000 0.533 930 V N 3.751 123.799 119.914 0.224 0.000 2.277 930 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 930 V C 0.828 177.061 176.094 0.232 0.000 1.074 930 V CA 2.014 64.429 62.300 0.191 0.000 1.058 930 V CB -0.642 31.314 31.823 0.223 0.000 0.656 930 V HN 0.634 nan 8.190 nan 0.000 0.449 931 F N 3.599 123.558 119.950 0.015 0.000 2.308 931 F HA 0.567 5.094 4.527 -0.000 0.000 0.370 931 F C -2.480 173.305 175.800 -0.025 0.000 1.100 931 F CA -4.162 53.809 58.000 -0.048 0.000 1.108 931 F CB 0.509 39.394 39.000 -0.192 0.000 1.293 931 F HN -0.011 nan 8.300 nan 0.000 0.478 932 P HA 0.196 nan 4.420 nan 0.000 0.266 932 P C -0.750 176.433 177.300 -0.195 0.000 1.195 932 P CA 0.276 63.303 63.100 -0.121 0.000 0.768 932 P CB 1.160 32.767 31.700 -0.156 0.000 0.838 933 S N 0.079 115.764 115.700 -0.025 0.000 2.757 933 S HA 0.460 4.930 4.470 -0.000 0.000 0.285 933 S C -0.530 174.093 174.600 0.038 0.000 1.196 933 S CA -0.878 57.316 58.200 -0.009 0.000 0.856 933 S CB 0.553 63.757 63.200 0.006 0.000 1.212 933 S HN 0.370 nan 8.310 nan 0.000 0.516 934 E N 1.081 121.309 120.200 0.047 0.000 2.459 934 E HA 0.371 4.721 4.350 -0.000 0.000 0.264 934 E C -0.133 176.546 176.600 0.131 0.000 1.055 934 E CA 0.887 57.342 56.400 0.092 0.000 0.957 934 E CB -0.078 29.706 29.700 0.138 0.000 0.952 934 E HN 0.901 nan 8.360 nan 0.000 0.448 935 N N 0.248 119.054 118.700 0.177 0.000 3.501 935 N HA 0.366 5.106 4.740 -0.000 0.000 0.235 935 N C 0.281 175.856 175.510 0.108 0.000 1.442 935 N CA -0.431 52.752 53.050 0.223 0.000 0.872 935 N CB 0.273 38.873 38.487 0.188 0.000 1.414 935 N HN 0.872 nan 8.380 nan 0.000 0.485 936 G N -1.174 107.653 108.800 0.045 0.000 2.220 936 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.269 936 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.269 936 G C 0.046 174.747 174.900 -0.330 0.000 0.977 936 G CA 0.541 45.568 45.100 -0.122 0.000 0.634 936 G HN 0.881 nan 8.290 nan 0.000 0.539 937 L N 1.234 122.211 121.223 -0.411 0.000 2.554 937 L HA 0.412 4.752 4.340 -0.000 0.000 0.293 937 L C 0.852 177.179 176.870 -0.904 0.000 1.252 937 L CA 0.475 54.860 54.840 -0.758 0.000 0.862 937 L CB 0.364 41.831 42.059 -0.987 0.000 1.113 937 L HN 0.386 nan 8.230 nan 0.000 0.510 938 R N 3.903 123.737 120.500 -1.111 0.000 2.686 938 R HA 0.549 4.889 4.340 -0.000 0.000 0.283 938 R C -1.170 174.690 176.300 -0.733 0.000 0.978 938 R CA -0.798 54.711 56.100 -0.986 0.000 0.897 938 R CB 1.026 30.638 30.300 -1.147 0.000 1.192 938 R HN 0.580 nan 8.270 nan 0.000 0.457 939 C N -0.400 118.634 119.300 -0.442 0.000 2.564 939 C HA 0.668 5.128 4.460 -0.000 0.000 0.381 939 C C 1.245 176.145 174.990 -0.150 0.000 1.297 939 C CA 0.249 59.095 59.018 -0.288 0.000 1.846 939 C CB 1.240 28.860 27.740 -0.201 0.000 2.198 939 C HN 1.072 nan 8.230 nan 0.000 0.507 940 G N 2.205 110.944 108.800 -0.102 0.000 2.395 940 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.300 940 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.300 940 G C -0.075 174.841 174.900 0.027 0.000 0.998 940 G CA 0.633 45.729 45.100 -0.006 0.000 1.046 940 G HN 0.854 nan 8.290 nan 0.000 0.513 941 T N -0.373 114.051 114.554 -0.217 0.000 2.856 941 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 941 T C 1.355 175.822 174.700 -0.389 0.000 0.980 941 T CA -0.562 61.383 62.100 -0.259 0.000 1.091 941 T CB 2.034 70.701 68.868 -0.335 0.000 0.936 941 T HN 0.309 nan 8.240 nan 0.000 0.503 942 R N 0.872 121.359 120.500 -0.022 0.000 2.282 942 R HA 0.227 4.567 4.340 -0.000 0.000 0.195 942 R C 0.415 176.835 176.300 0.200 0.000 0.909 942 R CA 0.239 56.399 56.100 0.101 0.000 1.039 942 R CB 0.700 31.143 30.300 0.238 0.000 1.015 942 R HN 0.733 nan 8.270 nan 0.000 0.513 943 E N 0.918 121.239 120.200 0.201 0.000 2.406 943 E HA 0.130 4.480 4.350 -0.000 0.000 0.297 943 E C -2.019 174.770 176.600 0.314 0.000 0.917 943 E CA -0.461 56.115 56.400 0.294 0.000 0.795 943 E CB 1.387 31.209 29.700 0.204 0.000 1.285 943 E HN -0.115 nan 8.360 nan 0.000 0.400 944 L N 4.635 126.105 121.223 0.411 0.000 2.319 944 L HA 0.565 4.905 4.340 -0.000 0.000 0.281 944 L C -1.629 175.509 176.870 0.447 0.000 1.005 944 L CA -0.472 54.538 54.840 0.284 0.000 0.828 944 L CB 1.218 43.232 42.059 -0.076 0.000 1.227 944 L HN 0.414 nan 8.230 nan 0.000 0.415 945 N N 4.917 123.827 118.700 0.349 0.000 2.392 945 N HA 0.396 5.136 4.740 -0.000 0.000 0.283 945 N C -1.760 174.022 175.510 0.454 0.000 1.003 945 N CA -0.199 53.075 53.050 0.374 0.000 0.892 945 N CB 1.678 40.306 38.487 0.234 0.000 1.193 945 N HN 0.536 nan 8.380 nan 0.000 0.487 946 Y N 1.219 121.721 120.300 0.338 0.000 2.298 946 Y HA 0.441 4.991 4.550 -0.000 0.000 0.322 946 Y C 0.571 176.609 175.900 0.229 0.000 1.138 946 Y CA -0.022 58.231 58.100 0.254 0.000 1.127 946 Y CB 0.530 39.136 38.460 0.243 0.000 1.178 946 Y HN 0.844 nan 8.280 nan 0.000 0.428 947 G N 6.665 115.419 108.800 -0.076 0.000 2.547 947 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.271 947 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.271 947 G C -1.536 173.387 174.900 0.038 0.000 1.209 947 G CA -0.070 44.963 45.100 -0.111 0.000 0.959 947 G HN 0.531 nan 8.290 nan 0.000 0.563 948 P HA -0.055 nan 4.420 nan 0.000 0.218 948 P C 0.791 178.024 177.300 -0.112 0.000 1.148 948 P CA 1.873 64.942 63.100 -0.052 0.000 0.822 948 P CB -0.307 31.308 31.700 -0.141 0.000 0.784 949 H N -0.335 118.691 119.070 -0.074 0.000 2.801 949 H HA 0.372 4.928 4.556 -0.000 0.000 0.377 949 H C 0.701 175.891 175.328 -0.230 0.000 1.304 949 H CA 0.371 56.301 56.048 -0.197 0.000 1.451 949 H CB 0.025 29.509 29.762 -0.463 0.000 1.474 949 H HN 0.077 nan 8.280 nan 0.000 0.620 950 Q N 1.160 120.762 119.800 -0.330 0.000 2.476 950 Q HA 0.163 4.503 4.340 -0.000 0.000 0.236 950 Q C -1.897 174.012 176.000 -0.152 0.000 0.844 950 Q CA -0.461 55.279 55.803 -0.104 0.000 0.972 950 Q CB 0.828 29.591 28.738 0.041 0.000 1.498 950 Q HN 0.666 nan 8.270 nan 0.000 0.454 951 W N 3.091 124.392 121.300 0.002 0.000 2.497 951 W HA 0.761 5.421 4.660 -0.000 0.000 0.359 951 W C 0.154 176.752 176.519 0.132 0.000 1.131 951 W CA -1.153 56.156 57.345 -0.059 0.000 1.280 951 W CB 1.595 30.831 29.460 -0.373 0.000 1.319 951 W HN 0.477 nan 8.180 nan 0.000 0.626 952 R N -0.429 120.325 120.500 0.424 0.000 2.604 952 R HA 0.510 4.850 4.340 -0.000 0.000 0.261 952 R C -0.117 176.437 176.300 0.424 0.000 1.080 952 R CA -0.179 56.179 56.100 0.429 0.000 0.917 952 R CB 2.018 32.489 30.300 0.284 0.000 1.252 952 R HN 0.834 nan 8.270 nan 0.000 0.456 953 G N 1.187 110.275 108.800 0.480 0.000 2.350 953 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.085 953 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.085 953 G C -1.775 173.353 174.900 0.381 0.000 1.159 953 G CA -0.287 45.056 45.100 0.406 0.000 1.146 953 G HN 0.479 nan 8.290 nan 0.000 0.449 954 D N 0.374 121.039 120.400 0.441 0.000 2.323 954 D HA 0.611 5.251 4.640 -0.000 0.000 0.242 954 D C -0.879 175.536 176.300 0.192 0.000 1.347 954 D CA -0.227 53.886 54.000 0.188 0.000 0.988 954 D CB 0.755 41.637 40.800 0.138 0.000 1.314 954 D HN 0.573 nan 8.370 nan 0.000 0.564 955 F N 0.014 119.960 119.950 -0.007 0.000 3.016 955 F HA 0.615 5.142 4.527 -0.000 0.000 0.324 955 F C -1.317 174.432 175.800 -0.084 0.000 1.196 955 F CA -1.031 56.899 58.000 -0.118 0.000 0.929 955 F CB 0.610 39.531 39.000 -0.131 0.000 1.440 955 F HN -0.147 nan 8.300 nan 0.000 0.505 956 Q N 1.610 121.422 119.800 0.020 0.000 2.365 956 Q HA 0.639 4.979 4.340 -0.000 0.000 0.269 956 Q C -1.336 174.717 176.000 0.089 0.000 1.061 956 Q CA -0.440 55.306 55.803 -0.096 0.000 0.816 956 Q CB 2.723 31.334 28.738 -0.212 0.000 1.325 956 Q HN 0.863 nan 8.270 nan 0.000 0.446 957 F N -0.844 118.993 119.950 -0.190 0.000 2.726 957 F HA 0.807 5.334 4.527 -0.000 0.000 0.324 957 F C -1.630 173.987 175.800 -0.304 0.000 1.140 957 F CA -1.128 56.745 58.000 -0.212 0.000 0.964 957 F CB 1.739 40.625 39.000 -0.190 0.000 1.399 957 F HN 0.575 nan 8.300 nan 0.000 0.491 958 N N 0.840 119.596 118.700 0.094 0.000 2.554 958 N HA 0.431 5.171 4.740 -0.000 0.000 0.271 958 N C -2.189 173.377 175.510 0.094 0.000 1.081 958 N CA -0.628 52.413 53.050 -0.015 0.000 0.994 958 N CB 1.711 40.124 38.487 -0.123 0.000 1.641 958 N HN 1.114 nan 8.380 nan 0.000 0.511 959 I N 1.303 121.921 120.570 0.081 0.000 2.676 959 I HA 0.848 5.018 4.170 -0.000 0.000 0.309 959 I C -0.588 175.509 176.117 -0.033 0.000 0.990 959 I CA -0.231 61.018 61.300 -0.084 0.000 1.168 959 I CB 1.510 39.342 38.000 -0.279 0.000 1.343 959 I HN 0.943 nan 8.210 nan 0.000 0.482 960 S N 5.419 121.121 115.700 0.003 0.000 2.595 960 S HA 0.433 4.903 4.470 -0.000 0.000 0.270 960 S C -0.179 174.409 174.600 -0.020 0.000 1.145 960 S CA -0.972 57.247 58.200 0.032 0.000 0.825 960 S CB 1.528 64.815 63.200 0.146 0.000 1.107 960 S HN 0.708 nan 8.310 nan 0.000 0.461 961 R N 0.360 120.669 120.500 -0.317 0.000 2.319 961 R HA 0.171 4.511 4.340 -0.000 0.000 0.204 961 R C -0.760 175.131 176.300 -0.681 0.000 0.954 961 R CA 0.391 56.188 56.100 -0.504 0.000 1.066 961 R CB -0.763 29.135 30.300 -0.671 0.000 0.991 961 R HN 0.656 nan 8.270 nan 0.000 0.486 962 Y N 0.093 120.349 120.300 -0.073 0.000 2.376 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.340 962 Y C 0.496 176.099 175.900 -0.495 0.000 0.965 962 Y CA -1.469 56.481 58.100 -0.250 0.000 1.078 962 Y CB 1.381 39.676 38.460 -0.274 0.000 1.193 962 Y HN -0.116 nan 8.280 nan 0.000 0.452 963 S N 2.383 117.675 115.700 -0.681 0.000 2.548 963 S HA 0.068 4.538 4.470 -0.000 0.000 0.277 963 S C 0.900 175.158 174.600 -0.570 0.000 1.315 963 S CA -0.734 56.755 58.200 -1.185 0.000 1.050 963 S CB 1.247 63.724 63.200 -1.206 0.000 0.918 963 S HN 0.765 nan 8.310 nan 0.000 0.497 964 Q N 1.715 121.220 119.800 -0.491 0.000 2.118 964 Q HA -0.305 4.035 4.340 -0.000 0.000 0.211 964 Q C 2.135 178.009 176.000 -0.209 0.000 0.998 964 Q CA 2.418 58.071 55.803 -0.249 0.000 0.872 964 Q CB -0.587 28.044 28.738 -0.178 0.000 0.925 964 Q HN 1.004 nan 8.270 nan 0.000 0.414 965 Q N 0.559 120.207 119.800 -0.253 0.000 2.077 965 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 965 Q C 2.144 178.043 176.000 -0.168 0.000 0.989 965 Q CA 1.634 57.337 55.803 -0.166 0.000 0.853 965 Q CB -0.058 28.605 28.738 -0.126 0.000 0.907 965 Q HN 0.438 nan 8.270 nan 0.000 0.418 966 Q N 0.079 119.748 119.800 -0.218 0.000 1.967 966 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 966 Q C 2.382 178.277 176.000 -0.176 0.000 1.005 966 Q CA 2.305 57.991 55.803 -0.195 0.000 0.862 966 Q CB -0.343 28.264 28.738 -0.218 0.000 0.939 966 Q HN 0.491 nan 8.270 nan 0.000 0.417 967 L N 0.006 121.126 121.223 -0.172 0.000 1.987 967 L HA -0.313 4.027 4.340 -0.000 0.000 0.230 967 L C 2.735 179.493 176.870 -0.186 0.000 1.089 967 L CA 1.985 56.721 54.840 -0.174 0.000 0.802 967 L CB -0.671 41.314 42.059 -0.123 0.000 0.905 967 L HN 0.478 nan 8.230 nan 0.000 0.441 968 M N -0.650 118.866 119.600 -0.140 0.000 2.617 968 M HA -0.211 4.269 4.480 -0.000 0.000 0.258 968 M C 1.499 177.717 176.300 -0.138 0.000 1.067 968 M CA 1.645 56.869 55.300 -0.126 0.000 1.057 968 M CB -0.060 32.499 32.600 -0.069 0.000 1.397 968 M HN 0.278 nan 8.290 nan 0.000 0.499 969 E N -1.041 119.074 120.200 -0.140 0.000 2.399 969 E HA 0.091 4.441 4.350 -0.000 0.000 0.205 969 E C -0.129 176.408 176.600 -0.105 0.000 0.906 969 E CA 0.373 56.708 56.400 -0.107 0.000 0.998 969 E CB 0.623 30.273 29.700 -0.082 0.000 1.002 969 E HN 0.393 nan 8.360 nan 0.000 0.501 970 T N 1.678 116.147 114.554 -0.142 0.000 2.832 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.313 970 T C 1.213 175.827 174.700 -0.144 0.000 1.035 970 T CA -0.238 61.794 62.100 -0.113 0.000 0.950 970 T CB 1.327 70.120 68.868 -0.125 0.000 0.984 970 T HN 0.028 nan 8.240 nan 0.000 0.486 971 S N 2.200 117.881 115.700 -0.032 0.000 2.420 971 S HA -0.171 4.299 4.470 -0.000 0.000 0.237 971 S C 0.412 175.022 174.600 0.016 0.000 1.023 971 S CA 0.880 59.088 58.200 0.014 0.000 0.991 971 S CB -0.571 62.816 63.200 0.312 0.000 0.792 971 S HN 0.793 nan 8.310 nan 0.000 0.488 972 H N 0.636 119.755 119.070 0.082 0.000 2.538 972 H HA 0.544 5.100 4.556 -0.000 0.000 0.353 972 H C 1.154 176.576 175.328 0.157 0.000 1.109 972 H CA -0.720 55.447 56.048 0.198 0.000 1.192 972 H CB 1.358 31.295 29.762 0.291 0.000 1.555 972 H HN 0.169 nan 8.280 nan 0.000 0.518 973 R N 1.722 122.376 120.500 0.257 0.000 2.113 973 R HA -0.257 4.083 4.340 -0.000 0.000 0.244 973 R C 1.481 177.880 176.300 0.164 0.000 1.142 973 R CA 2.165 58.351 56.100 0.143 0.000 0.953 973 R CB -0.812 29.543 30.300 0.092 0.000 0.860 973 R HN 0.794 nan 8.270 nan 0.000 0.438 974 H N 1.589 120.678 119.070 0.032 0.000 2.457 974 H HA -0.031 4.525 4.556 -0.000 0.000 0.297 974 H C 1.587 176.866 175.328 -0.082 0.000 1.092 974 H CA 1.109 57.142 56.048 -0.026 0.000 1.309 974 H CB -0.489 29.248 29.762 -0.041 0.000 1.382 974 H HN 0.287 nan 8.280 nan 0.000 0.535 975 L N 1.080 122.025 121.223 -0.463 0.000 2.682 975 L HA 0.175 4.515 4.340 -0.000 0.000 0.240 975 L C 0.291 177.053 176.870 -0.181 0.000 1.178 975 L CA 0.022 54.580 54.840 -0.470 0.000 0.970 975 L CB -0.183 41.635 42.059 -0.402 0.000 1.179 975 L HN 0.126 nan 8.230 nan 0.000 0.435 976 L N 0.719 121.871 121.223 -0.118 0.000 2.309 976 L HA 0.334 4.674 4.340 -0.000 0.000 0.282 976 L C 0.079 176.980 176.870 0.051 0.000 1.036 976 L CA -0.459 54.324 54.840 -0.095 0.000 0.806 976 L CB 1.402 43.310 42.059 -0.251 0.000 1.220 976 L HN 0.237 nan 8.230 nan 0.000 0.429 977 H N 2.236 121.350 119.070 0.073 0.000 2.547 977 H HA 0.588 5.144 4.556 -0.000 0.000 0.342 977 H C -0.687 174.675 175.328 0.056 0.000 1.048 977 H CA -1.044 55.036 56.048 0.052 0.000 1.204 977 H CB 1.620 31.375 29.762 -0.013 0.000 1.493 977 H HN 0.689 nan 8.280 nan 0.000 0.511 978 A N 4.186 127.074 122.820 0.114 0.000 2.540 978 A HA 0.061 4.381 4.320 -0.000 0.000 0.239 978 A C 0.388 177.980 177.584 0.013 0.000 1.061 978 A CA -0.216 51.720 52.037 -0.169 0.000 0.758 978 A CB 0.074 18.970 19.000 -0.172 0.000 0.991 978 A HN 0.888 nan 8.150 nan 0.000 0.502 979 E N 0.798 120.936 120.200 -0.102 0.000 2.351 979 E HA 0.083 4.433 4.350 -0.000 0.000 0.255 979 E C 0.673 177.293 176.600 0.033 0.000 1.188 979 E CA -0.589 55.856 56.400 0.076 0.000 0.940 979 E CB 0.702 30.517 29.700 0.192 0.000 1.094 979 E HN 0.840 nan 8.360 nan 0.000 0.474 980 E N 0.604 120.835 120.200 0.051 0.000 2.058 980 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 980 E C 1.039 177.607 176.600 -0.053 0.000 0.997 980 E CA 1.510 57.904 56.400 -0.009 0.000 0.801 980 E CB 0.005 29.696 29.700 -0.014 0.000 0.746 980 E HN 0.575 nan 8.360 nan 0.000 0.450 981 G N -1.152 107.589 108.800 -0.099 0.000 3.392 981 G HA2 0.205 4.165 3.960 -0.000 0.000 0.188 981 G HA3 0.205 4.165 3.960 -0.000 0.000 0.188 981 G C -0.529 174.315 174.900 -0.093 0.000 1.485 981 G CA -0.011 45.013 45.100 -0.128 0.000 0.943 981 G HN 0.125 nan 8.290 nan 0.000 0.627 982 T N 0.710 115.194 114.554 -0.116 0.000 3.038 982 T HA 0.275 4.625 4.350 -0.000 0.000 0.344 982 T C -1.242 173.395 174.700 -0.104 0.000 1.054 982 T CA -0.288 61.795 62.100 -0.028 0.000 1.092 982 T CB 0.638 69.610 68.868 0.173 0.000 1.031 982 T HN 0.333 nan 8.240 nan 0.000 0.482 983 W N 2.842 124.075 121.300 -0.111 0.000 2.223 983 W HA 0.480 5.140 4.660 -0.000 0.000 0.334 983 W C 0.032 176.460 176.519 -0.153 0.000 1.334 983 W CA -0.404 56.872 57.345 -0.116 0.000 1.246 983 W CB 0.388 29.784 29.460 -0.107 0.000 1.184 983 W HN 0.381 nan 8.180 nan 0.000 0.563 984 L N 5.421 126.672 121.223 0.047 0.000 2.439 984 L HA 0.429 4.769 4.340 -0.000 0.000 0.270 984 L C -0.973 175.835 176.870 -0.103 0.000 0.972 984 L CA -0.676 54.093 54.840 -0.118 0.000 0.836 984 L CB 0.940 42.809 42.059 -0.316 0.000 1.255 984 L HN 0.449 nan 8.230 nan 0.000 0.404 985 N N 7.046 125.682 118.700 -0.106 0.000 2.372 985 N HA 0.531 5.271 4.740 -0.000 0.000 0.291 985 N C -1.279 174.131 175.510 -0.167 0.000 1.024 985 N CA -0.727 52.248 53.050 -0.124 0.000 0.873 985 N CB 2.425 40.854 38.487 -0.098 0.000 1.206 985 N HN 0.382 nan 8.380 nan 0.000 0.486 986 I N 2.048 122.478 120.570 -0.234 0.000 2.411 986 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 986 I C -0.773 175.193 176.117 -0.251 0.000 1.012 986 I CA -0.395 60.741 61.300 -0.272 0.000 1.119 986 I CB 1.598 39.309 38.000 -0.481 0.000 1.261 986 I HN 0.399 nan 8.210 nan 0.000 0.448 987 D N 4.027 124.298 120.400 -0.215 0.000 2.248 987 D HA 0.422 5.062 4.640 -0.000 0.000 0.246 987 D C 0.959 176.945 176.300 -0.523 0.000 1.027 987 D CA -0.219 53.571 54.000 -0.350 0.000 0.853 987 D CB 2.660 43.328 40.800 -0.220 0.000 1.243 987 D HN 0.681 nan 8.370 nan 0.000 0.462 988 G N 0.555 108.802 108.800 -0.922 0.000 2.510 988 G HA2 0.096 4.056 3.960 -0.000 0.000 0.212 988 G HA3 0.096 4.056 3.960 -0.000 0.000 0.212 988 G C -0.015 174.024 174.900 -1.434 0.000 1.151 988 G CA 0.260 44.601 45.100 -1.266 0.000 0.817 988 G HN 0.359 nan 8.290 nan 0.000 0.534 989 F N -0.865 118.924 119.950 -0.267 0.000 2.581 989 F HA 0.537 5.064 4.527 -0.000 0.000 0.311 989 F C -0.893 174.799 175.800 -0.180 0.000 1.113 989 F CA -1.199 56.703 58.000 -0.164 0.000 0.935 989 F CB 2.177 41.034 39.000 -0.238 0.000 1.232 989 F HN -0.074 nan 8.300 nan 0.000 0.445 990 H N 4.347 123.422 119.070 0.007 0.000 3.018 990 H HA 0.390 4.946 4.556 -0.000 0.000 0.334 990 H C -0.669 174.669 175.328 0.016 0.000 0.983 990 H CA -1.017 55.004 56.048 -0.047 0.000 1.363 990 H CB 1.811 31.510 29.762 -0.105 0.000 1.668 990 H HN 0.856 nan 8.280 nan 0.000 0.513 991 M N 3.240 123.033 119.600 0.322 0.000 2.252 991 M HA 0.296 4.776 4.480 -0.000 0.000 0.321 991 M C 0.234 176.647 176.300 0.189 0.000 1.070 991 M CA 0.580 56.004 55.300 0.207 0.000 1.143 991 M CB 0.494 33.117 32.600 0.039 0.000 1.498 991 M HN 0.595 nan 8.290 nan 0.000 0.445 992 G N 2.443 111.303 108.800 0.099 0.000 2.684 992 G HA2 0.392 4.352 3.960 -0.000 0.000 0.255 992 G HA3 0.392 4.352 3.960 -0.000 0.000 0.255 992 G C 0.558 175.389 174.900 -0.114 0.000 1.219 992 G CA -0.538 44.524 45.100 -0.064 0.000 0.901 992 G HN 0.987 nan 8.290 nan 0.000 0.548 993 I N -1.405 119.038 120.570 -0.211 0.000 3.783 993 I HA 0.365 4.535 4.170 -0.000 0.000 0.310 993 I C 1.454 177.466 176.117 -0.175 0.000 1.274 993 I CA 0.274 61.425 61.300 -0.247 0.000 1.294 993 I CB -0.773 36.977 38.000 -0.417 0.000 1.051 993 I HN 0.873 nan 8.210 nan 0.000 0.435 994 G N 2.009 110.731 108.800 -0.130 0.000 2.575 994 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.267 994 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.267 994 G C 0.612 175.476 174.900 -0.061 0.000 1.264 994 G CA 0.328 45.396 45.100 -0.053 0.000 0.935 994 G HN 1.419 nan 8.290 nan 0.000 0.568 995 G N -2.295 106.484 108.800 -0.036 0.000 2.161 995 G HA2 0.061 4.021 3.960 -0.000 0.000 0.140 995 G HA3 0.061 4.021 3.960 -0.000 0.000 0.140 995 G C 0.320 175.235 174.900 0.025 0.000 1.040 995 G CA 1.014 46.089 45.100 -0.042 0.000 0.735 995 G HN 0.972 nan 8.290 nan 0.000 0.496 996 D N 1.267 121.690 120.400 0.038 0.000 2.363 996 D HA 0.317 4.957 4.640 -0.000 0.000 0.226 996 D C 0.806 177.045 176.300 -0.102 0.000 1.020 996 D CA 1.557 55.632 54.000 0.124 0.000 0.892 996 D CB 0.266 41.179 40.800 0.188 0.000 0.900 996 D HN 0.887 nan 8.370 nan 0.000 0.531 997 D N -3.875 116.326 120.400 -0.333 0.000 3.064 997 D HA 0.050 4.690 4.640 -0.000 0.000 0.288 997 D C -0.821 175.087 176.300 -0.654 0.000 1.140 997 D CA -0.670 52.770 54.000 -0.932 0.000 0.725 997 D CB 0.109 39.902 40.800 -1.679 0.000 1.295 997 D HN -0.268 nan 8.370 nan 0.000 0.448 998 S N -0.459 114.826 115.700 -0.691 0.000 2.855 998 S HA 0.274 4.744 4.470 -0.000 0.000 0.249 998 S C -0.303 174.466 174.600 0.281 0.000 1.033 998 S CA -0.508 57.699 58.200 0.012 0.000 1.038 998 S CB -0.463 62.918 63.200 0.301 0.000 0.960 998 S HN 0.587 nan 8.310 nan 0.000 0.548 999 W N 1.208 122.534 121.300 0.044 0.000 2.534 999 W HA 0.527 5.187 4.660 -0.000 0.000 0.339 999 W C 0.183 176.692 176.519 -0.016 0.000 0.961 999 W CA -0.344 57.008 57.345 0.012 0.000 1.545 999 W CB -0.302 29.103 29.460 -0.093 0.000 1.104 999 W HN 0.193 nan 8.180 nan 0.000 0.538 1000 S N -0.704 114.893 115.700 -0.171 0.000 2.607 1000 S HA 0.631 5.101 4.470 -0.000 0.000 0.273 1000 S C -3.096 171.444 174.600 -0.100 0.000 1.148 1000 S CA -1.733 56.402 58.200 -0.108 0.000 0.833 1000 S CB 1.655 64.796 63.200 -0.098 0.000 1.130 1000 S HN -0.235 nan 8.310 nan 0.000 0.470 1001 P HA 0.220 nan 4.420 nan 0.000 0.264 1001 P C 0.247 177.572 177.300 0.041 0.000 1.229 1001 P CA 0.018 63.121 63.100 0.005 0.000 0.780 1001 P CB 0.704 32.329 31.700 -0.125 0.000 0.808 1002 S N 1.648 117.398 115.700 0.084 0.000 2.730 1002 S HA 0.157 4.627 4.470 -0.000 0.000 0.244 1002 S C 0.086 174.752 174.600 0.110 0.000 1.022 1002 S CA -0.333 57.900 58.200 0.054 0.000 1.014 1002 S CB -0.137 63.045 63.200 -0.029 0.000 0.963 1002 S HN 0.070 nan 8.310 nan 0.000 0.540 1003 V N 4.005 124.037 119.914 0.195 0.000 2.348 1003 V HA 0.472 4.592 4.120 -0.000 0.000 0.270 1003 V C 0.754 177.000 176.094 0.253 0.000 1.037 1003 V CA -0.485 61.932 62.300 0.194 0.000 0.872 1003 V CB 0.571 32.477 31.823 0.139 0.000 1.002 1003 V HN 0.643 nan 8.190 nan 0.000 0.464 1004 S N 4.587 120.438 115.700 0.252 0.000 2.568 1004 S HA 0.300 4.770 4.470 -0.000 0.000 0.282 1004 S C 1.545 176.278 174.600 0.222 0.000 1.338 1004 S CA 0.083 58.416 58.200 0.223 0.000 1.045 1004 S CB 1.296 64.623 63.200 0.211 0.000 0.873 1004 S HN 1.132 nan 8.310 nan 0.000 0.516 1005 A N 2.897 125.804 122.820 0.144 0.000 1.896 1005 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 1005 A C 1.935 179.525 177.584 0.011 0.000 1.206 1005 A CA 2.252 54.355 52.037 0.109 0.000 0.647 1005 A CB -1.586 17.454 19.000 0.066 0.000 0.828 1005 A HN 1.047 nan 8.150 nan 0.000 0.455 1006 E N -1.243 118.882 120.200 -0.125 0.000 2.393 1006 E HA -0.174 4.176 4.350 -0.000 0.000 0.201 1006 E C 0.667 176.924 176.600 -0.572 0.000 1.025 1006 E CA 1.327 57.488 56.400 -0.397 0.000 0.856 1006 E CB -0.395 28.920 29.700 -0.642 0.000 0.771 1006 E HN 0.703 nan 8.360 nan 0.000 0.526 1007 F N 0.685 120.678 119.950 0.072 0.000 2.654 1007 F HA 0.265 4.792 4.527 -0.000 0.000 0.303 1007 F C 0.254 176.091 175.800 0.060 0.000 1.099 1007 F CA -0.367 57.673 58.000 0.067 0.000 1.270 1007 F CB 0.315 39.349 39.000 0.058 0.000 1.024 1007 F HN -0.157 nan 8.300 nan 0.000 0.548 1008 Q N 0.829 120.738 119.800 0.181 0.000 2.245 1008 Q HA 0.495 4.835 4.340 -0.000 0.000 0.256 1008 Q C -0.405 175.618 176.000 0.037 0.000 0.942 1008 Q CA -0.712 55.179 55.803 0.147 0.000 0.896 1008 Q CB 2.171 31.084 28.738 0.291 0.000 1.272 1008 Q HN 0.176 nan 8.270 nan 0.000 0.442 1009 L N 2.205 123.428 121.223 0.001 0.000 2.462 1009 L HA 0.106 4.446 4.340 -0.000 0.000 0.283 1009 L C 0.623 177.380 176.870 -0.189 0.000 1.166 1009 L CA -0.047 54.749 54.840 -0.074 0.000 0.964 1009 L CB -0.320 41.579 42.059 -0.266 0.000 1.294 1009 L HN 0.707 nan 8.230 nan 0.000 0.449 1010 S N -0.234 115.336 115.700 -0.217 0.000 2.629 1010 S HA 0.189 4.659 4.470 -0.000 0.000 0.236 1010 S C 1.634 176.192 174.600 -0.071 0.000 1.010 1010 S CA 0.138 58.106 58.200 -0.386 0.000 0.981 1010 S CB 0.782 63.681 63.200 -0.502 0.000 0.919 1010 S HN 0.549 nan 8.310 nan 0.000 0.514 1011 A N 1.815 124.640 122.820 0.009 0.000 2.024 1011 A HA 0.348 4.668 4.320 -0.000 0.000 0.220 1011 A C 2.190 179.650 177.584 -0.207 0.000 1.164 1011 A CA 1.730 53.629 52.037 -0.229 0.000 0.643 1011 A CB -1.377 17.245 19.000 -0.630 0.000 0.806 1011 A HN 1.629 nan 8.150 nan 0.000 0.451 1012 G N -1.899 106.885 108.800 -0.027 0.000 2.336 1012 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.233 1012 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.233 1012 G C 0.400 175.289 174.900 -0.020 0.000 1.053 1012 G CA 0.402 45.512 45.100 0.017 0.000 0.625 1012 G HN 0.741 nan 8.290 nan 0.000 0.511 1013 R N -0.564 119.774 120.500 -0.271 0.000 2.538 1013 R HA 0.642 4.982 4.340 -0.000 0.000 0.292 1013 R C -1.588 174.340 176.300 -0.621 0.000 1.008 1013 R CA -0.626 55.339 56.100 -0.225 0.000 0.896 1013 R CB 1.517 31.745 30.300 -0.121 0.000 1.187 1013 R HN 0.198 nan 8.270 nan 0.000 0.440 1014 Y N 0.575 120.875 120.300 0.001 0.000 2.446 1014 Y HA 0.392 4.942 4.550 -0.000 0.000 0.345 1014 Y C -0.216 175.891 175.900 0.346 0.000 0.984 1014 Y CA -0.742 57.362 58.100 0.008 0.000 1.058 1014 Y CB 2.118 40.517 38.460 -0.102 0.000 1.220 1014 Y HN 0.592 nan 8.280 nan 0.000 0.455 1015 H N 2.718 122.099 119.070 0.519 0.000 2.856 1015 H HA 0.562 5.118 4.556 -0.000 0.000 0.355 1015 H C -1.827 173.863 175.328 0.603 0.000 1.079 1015 H CA -0.800 55.521 56.048 0.454 0.000 1.240 1015 H CB 1.160 31.058 29.762 0.225 0.000 1.701 1015 H HN 0.553 nan 8.280 nan 0.000 0.527 1016 Y N 1.636 121.749 120.300 -0.313 0.000 2.609 1016 Y HA 0.595 5.145 4.550 -0.000 0.000 0.342 1016 Y C -1.575 174.119 175.900 -0.344 0.000 1.058 1016 Y CA -1.339 56.616 58.100 -0.241 0.000 1.055 1016 Y CB 1.701 40.111 38.460 -0.083 0.000 1.292 1016 Y HN 0.683 nan 8.280 nan 0.000 0.476 1017 Q N 1.967 121.763 119.800 -0.007 0.000 2.294 1017 Q HA 0.595 4.935 4.340 -0.000 0.000 0.264 1017 Q C -1.768 174.279 176.000 0.078 0.000 0.992 1017 Q CA -0.315 55.474 55.803 -0.025 0.000 0.747 1017 Q CB 1.983 30.768 28.738 0.078 0.000 1.262 1017 Q HN 0.835 nan 8.270 nan 0.000 0.452 1018 L N 2.204 123.448 121.223 0.034 0.000 2.332 1018 L HA 0.779 5.119 4.340 -0.000 0.000 0.269 1018 L C -0.848 176.106 176.870 0.139 0.000 1.016 1018 L CA -1.211 53.682 54.840 0.089 0.000 0.809 1018 L CB 2.066 44.163 42.059 0.063 0.000 1.280 1018 L HN 0.323 nan 8.230 nan 0.000 0.447 1019 V N 0.590 120.620 119.914 0.194 0.000 2.524 1019 V HA 0.291 4.411 4.120 -0.000 0.000 0.297 1019 V C -1.455 174.813 176.094 0.290 0.000 1.035 1019 V CA -0.523 61.906 62.300 0.216 0.000 0.867 1019 V CB 1.974 33.901 31.823 0.173 0.000 1.004 1019 V HN 0.595 nan 8.190 nan 0.000 0.426 1020 W N 7.219 128.545 121.300 0.043 0.000 2.471 1020 W HA 0.764 5.424 4.660 -0.000 0.000 0.318 1020 W C -0.226 176.251 176.519 -0.069 0.000 1.034 1020 W CA -1.256 56.037 57.345 -0.087 0.000 1.224 1020 W CB 1.455 30.892 29.460 -0.038 0.000 1.335 1020 W HN 0.860 nan 8.180 nan 0.000 0.452 1021 C N 4.492 123.983 119.300 0.318 0.000 3.213 1021 C HA 0.834 5.294 4.460 -0.000 0.000 0.319 1021 C C -0.390 174.589 174.990 -0.019 0.000 1.386 1021 C CA -0.514 58.557 59.018 0.089 0.000 1.494 1021 C CB 1.598 29.384 27.740 0.076 0.000 1.905 1021 C HN 0.649 nan 8.230 nan 0.000 0.456 1022 Q N 0.507 120.250 119.800 -0.095 0.000 2.990 1022 Q HA 0.832 5.172 4.340 -0.000 0.000 0.255 1022 Q C -0.677 175.255 176.000 -0.113 0.000 1.040 1022 Q CA -0.496 55.191 55.803 -0.193 0.000 0.897 1022 Q CB 1.258 29.823 28.738 -0.289 0.000 1.429 1022 Q HN 0.777 nan 8.270 nan 0.000 0.497 1023 K N 0.000 120.324 120.400 -0.126 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.243 56.287 -0.073 0.000 0.838 1023 K CB 0.000 32.472 32.500 -0.047 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543