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 1bgm_1_O 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 0.000 176.143 176.117 0.044 0.000 1.063 3 I CA 0.000 61.325 61.300 0.042 0.000 1.566 3 I CB 0.000 38.013 38.000 0.022 0.000 1.214 4 T N -3.132 111.459 114.554 0.062 0.000 3.086 4 T HA 0.247 4.597 4.350 -0.000 0.000 0.250 4 T C 0.896 175.648 174.700 0.086 0.000 1.074 4 T CA 0.589 62.716 62.100 0.044 0.000 0.988 4 T CB 0.123 69.017 68.868 0.044 0.000 0.988 4 T HN 0.122 nan 8.240 nan 0.000 0.530 5 D N 2.152 122.655 120.400 0.172 0.000 2.367 5 D HA 0.109 4.749 4.640 -0.000 0.000 0.207 5 D C 1.174 177.723 176.300 0.414 0.000 1.034 5 D CA 0.223 54.439 54.000 0.360 0.000 0.861 5 D CB 0.364 41.394 40.800 0.383 0.000 0.943 5 D HN 0.568 nan 8.370 nan 0.000 0.515 6 S N 0.477 116.282 115.700 0.175 0.000 2.572 6 S HA 0.043 4.513 4.470 -0.000 0.000 0.279 6 S C 1.412 176.067 174.600 0.091 0.000 1.341 6 S CA -0.611 57.634 58.200 0.075 0.000 1.043 6 S CB 1.249 64.463 63.200 0.023 0.000 0.887 6 S HN -0.143 nan 8.310 nan 0.000 0.516 7 L N 3.871 125.097 121.223 0.006 0.000 1.915 7 L HA -0.071 4.269 4.340 -0.000 0.000 0.225 7 L C 3.055 179.940 176.870 0.024 0.000 1.084 7 L CA 2.695 57.550 54.840 0.024 0.000 0.788 7 L CB -2.022 40.004 42.059 -0.055 0.000 0.892 7 L HN 1.065 nan 8.230 nan 0.000 0.434 8 A N -1.148 121.672 122.820 -0.000 0.000 1.885 8 A HA -0.358 3.962 4.320 -0.000 0.000 0.260 8 A C 2.312 179.889 177.584 -0.012 0.000 2.398 8 A CA 3.359 55.394 52.037 -0.002 0.000 0.786 8 A CB -1.585 17.410 19.000 -0.009 0.000 0.834 8 A HN 0.341 nan 8.150 nan 0.000 0.548 9 V N -1.260 118.640 119.914 -0.023 0.000 2.273 9 V HA -0.184 3.936 4.120 -0.000 0.000 0.242 9 V C 2.514 178.539 176.094 -0.116 0.000 1.035 9 V CA 1.715 63.980 62.300 -0.058 0.000 1.013 9 V CB -0.775 31.019 31.823 -0.047 0.000 0.652 9 V HN 0.413 nan 8.190 nan 0.000 0.452 10 V N 0.299 120.134 119.914 -0.131 0.000 2.380 10 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 10 V C 1.921 177.872 176.094 -0.237 0.000 1.063 10 V CA 1.841 63.961 62.300 -0.300 0.000 1.055 10 V CB -0.486 31.190 31.823 -0.244 0.000 0.657 10 V HN 0.472 nan 8.190 nan 0.000 0.455 11 L N -0.535 120.663 121.223 -0.041 0.000 2.667 11 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 11 L C 2.121 179.013 176.870 0.036 0.000 1.138 11 L CA 0.149 55.071 54.840 0.137 0.000 0.921 11 L CB -0.296 41.959 42.059 0.326 0.000 1.180 11 L HN 0.323 nan 8.230 nan 0.000 0.487 12 Q N 1.994 121.762 119.800 -0.053 0.000 2.119 12 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 12 Q C 2.146 178.059 176.000 -0.144 0.000 0.972 12 Q CA 1.823 57.583 55.803 -0.072 0.000 0.847 12 Q CB 0.068 28.765 28.738 -0.068 0.000 0.903 12 Q HN 0.463 nan 8.270 nan 0.000 0.433 13 R N -0.162 120.220 120.500 -0.196 0.000 2.189 13 R HA 0.128 4.468 4.340 -0.000 0.000 0.218 13 R C 0.140 176.202 176.300 -0.397 0.000 1.074 13 R CA 0.714 56.665 56.100 -0.250 0.000 0.991 13 R CB -0.362 29.802 30.300 -0.227 0.000 0.883 13 R HN 0.063 nan 8.270 nan 0.000 0.457 14 R N 1.119 121.231 120.500 -0.647 0.000 3.205 14 R HA -0.159 4.181 4.340 -0.000 0.000 0.249 14 R C -0.712 175.035 176.300 -0.921 0.000 0.937 14 R CA 0.500 55.814 56.100 -1.310 0.000 0.641 14 R CB -1.446 28.280 30.300 -0.958 0.000 1.114 14 R HN 0.371 nan 8.270 nan 0.000 0.451 15 D N -0.304 119.711 120.400 -0.641 0.000 2.310 15 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 15 D C 1.569 177.792 176.300 -0.130 0.000 0.965 15 D CA 1.374 55.135 54.000 -0.398 0.000 0.879 15 D CB -0.100 40.331 40.800 -0.614 0.000 0.921 15 D HN 0.723 nan 8.370 nan 0.000 0.510 16 W N 1.099 122.456 121.300 0.094 0.000 3.180 16 W HA 0.220 4.880 4.660 -0.000 0.000 0.254 16 W C 0.528 177.151 176.519 0.172 0.000 1.318 16 W CA -0.184 57.298 57.345 0.228 0.000 1.608 16 W CB -0.244 29.386 29.460 0.283 0.000 1.124 16 W HN -0.178 nan 8.180 nan 0.000 0.694 17 E N 0.734 120.776 120.200 -0.264 0.000 2.995 17 E HA 0.063 4.413 4.350 -0.000 0.000 0.203 17 E C -0.682 175.787 176.600 -0.217 0.000 0.980 17 E CA -0.186 56.121 56.400 -0.155 0.000 1.172 17 E CB -0.125 29.493 29.700 -0.136 0.000 1.088 17 E HN -0.007 nan 8.360 nan 0.000 0.463 18 N N 1.316 119.915 118.700 -0.168 0.000 2.540 18 N HA 0.183 4.923 4.740 -0.000 0.000 0.275 18 N C -2.207 173.171 175.510 -0.219 0.000 1.053 18 N CA -2.229 50.693 53.050 -0.214 0.000 0.876 18 N CB 1.614 39.977 38.487 -0.207 0.000 1.284 18 N HN -0.178 nan 8.380 nan 0.000 0.518 19 P HA 0.045 nan 4.420 nan 0.000 0.230 19 P C 1.101 178.139 177.300 -0.437 0.000 1.158 19 P CA 0.558 63.301 63.100 -0.595 0.000 0.769 19 P CB 0.327 31.264 31.700 -1.272 0.000 0.807 20 G N 0.370 108.977 108.800 -0.322 0.000 2.464 20 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.214 20 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.214 20 G C 0.270 175.079 174.900 -0.153 0.000 1.218 20 G CA 0.344 45.306 45.100 -0.229 0.000 0.794 20 G HN 0.180 nan 8.290 nan 0.000 0.542 21 V N 1.300 121.144 119.914 -0.118 0.000 2.432 21 V HA 0.469 4.589 4.120 -0.000 0.000 0.271 21 V C 1.052 177.167 176.094 0.035 0.000 1.046 21 V CA 0.566 62.840 62.300 -0.043 0.000 0.945 21 V CB 1.028 32.814 31.823 -0.062 0.000 0.992 21 V HN 0.435 nan 8.190 nan 0.000 0.471 22 T N 0.992 115.574 114.554 0.047 0.000 3.058 22 T HA 0.368 4.718 4.350 -0.000 0.000 0.278 22 T C 0.129 174.857 174.700 0.046 0.000 0.974 22 T CA 0.283 62.415 62.100 0.054 0.000 0.893 22 T CB 0.255 69.113 68.868 -0.017 0.000 1.138 22 T HN 0.839 nan 8.240 nan 0.000 0.529 23 Q N 0.305 120.165 119.800 0.101 0.000 2.702 23 Q HA 0.696 5.036 4.340 -0.000 0.000 0.289 23 Q C -2.380 173.724 176.000 0.172 0.000 0.923 23 Q CA -1.061 54.790 55.803 0.080 0.000 0.787 23 Q CB 0.854 29.571 28.738 -0.035 0.000 1.476 23 Q HN 0.084 nan 8.270 nan 0.000 0.402 24 L N 2.947 124.295 121.223 0.209 0.000 2.666 24 L HA 0.517 4.857 4.340 -0.000 0.000 0.258 24 L C -1.038 175.954 176.870 0.204 0.000 0.991 24 L CA 0.165 55.151 54.840 0.242 0.000 0.916 24 L CB 0.952 43.264 42.059 0.422 0.000 1.199 24 L HN 0.852 nan 8.230 nan 0.000 0.439 25 N N 0.845 119.607 118.700 0.103 0.000 2.967 25 N HA -0.193 4.547 4.740 -0.000 0.000 0.241 25 N C 0.545 175.998 175.510 -0.094 0.000 0.983 25 N CA 0.656 53.745 53.050 0.065 0.000 0.918 25 N CB -0.712 37.826 38.487 0.084 0.000 1.109 25 N HN 0.642 nan 8.380 nan 0.000 0.567 26 R N 2.090 122.440 120.500 -0.250 0.000 2.421 26 R HA 0.268 4.608 4.340 -0.000 0.000 0.305 26 R C 0.760 176.846 176.300 -0.356 0.000 1.039 26 R CA -0.166 55.550 56.100 -0.640 0.000 1.003 26 R CB 0.340 30.335 30.300 -0.509 0.000 0.959 26 R HN 0.176 nan 8.270 nan 0.000 0.427 27 L N 3.331 124.349 121.223 -0.343 0.000 2.468 27 L HA 0.239 4.579 4.340 -0.000 0.000 0.253 27 L C 1.047 177.859 176.870 -0.098 0.000 1.237 27 L CA -0.419 54.339 54.840 -0.137 0.000 0.823 27 L CB -0.015 42.013 42.059 -0.051 0.000 1.124 27 L HN 0.711 nan 8.230 nan 0.000 0.504 28 A N 0.350 123.158 122.820 -0.020 0.000 2.409 28 A HA 0.526 4.846 4.320 -0.000 0.000 0.246 28 A C 0.192 177.810 177.584 0.056 0.000 1.099 28 A CA 0.276 52.321 52.037 0.012 0.000 0.789 28 A CB 0.019 19.050 19.000 0.051 0.000 1.053 28 A HN 0.828 nan 8.150 nan 0.000 0.503 29 A N -0.018 122.809 122.820 0.010 0.000 2.294 29 A HA 0.844 5.164 4.320 -0.000 0.000 0.330 29 A C -0.227 177.332 177.584 -0.043 0.000 1.133 29 A CA 0.156 52.134 52.037 -0.098 0.000 0.836 29 A CB 0.423 19.337 19.000 -0.144 0.000 1.190 29 A HN 2.026 nan 8.150 nan 0.000 0.492 30 H N -2.590 116.376 119.070 -0.173 0.000 2.921 30 H HA 0.529 5.085 4.556 -0.000 0.000 0.287 30 H C -3.404 171.678 175.328 -0.410 0.000 1.434 30 H CA -1.706 54.195 56.048 -0.245 0.000 1.178 30 H CB -0.036 29.570 29.762 -0.261 0.000 1.836 30 H HN 0.372 nan 8.280 nan 0.000 0.495 31 P HA 0.132 nan 4.420 nan 0.000 0.268 31 P C -2.495 174.569 177.300 -0.393 0.000 1.204 31 P CA -0.846 62.045 63.100 -0.348 0.000 0.768 31 P CB -0.354 31.077 31.700 -0.449 0.000 0.842 32 P HA -0.104 nan 4.420 nan 0.000 0.264 32 P C -0.795 176.524 177.300 0.031 0.000 1.156 32 P CA 1.077 64.099 63.100 -0.130 0.000 0.756 32 P CB -0.025 31.680 31.700 0.009 0.000 0.764 33 F N 0.960 121.035 119.950 0.208 0.000 2.598 33 F HA 0.643 5.170 4.527 -0.000 0.000 0.327 33 F C 1.109 176.883 175.800 -0.044 0.000 1.057 33 F CA -1.068 56.999 58.000 0.112 0.000 0.957 33 F CB 1.103 40.133 39.000 0.050 0.000 1.278 33 F HN 0.342 nan 8.300 nan 0.000 0.484 34 A N -0.058 122.785 122.820 0.038 0.000 1.878 34 A HA 0.397 4.717 4.320 -0.000 0.000 0.201 34 A C 0.616 178.009 177.584 -0.320 0.000 1.684 34 A CA 0.745 52.569 52.037 -0.354 0.000 1.113 34 A CB -0.426 17.900 19.000 -1.122 0.000 1.131 34 A HN 1.286 nan 8.150 nan 0.000 0.472 35 S N -0.526 115.046 115.700 -0.213 0.000 3.978 35 S HA -0.116 4.354 4.470 -0.000 0.000 0.402 35 S C -0.139 174.405 174.600 -0.093 0.000 0.927 35 S CA 0.379 58.493 58.200 -0.144 0.000 1.197 35 S CB -2.127 60.968 63.200 -0.175 0.000 0.855 35 S HN 0.498 nan 8.310 nan 0.000 0.524 36 W N 1.914 123.211 121.300 -0.004 0.000 2.042 36 W HA 0.327 4.987 4.660 -0.000 0.000 0.358 36 W C 1.583 178.102 176.519 -0.001 0.000 1.325 36 W CA -0.323 57.029 57.345 0.012 0.000 1.311 36 W CB 0.219 29.687 29.460 0.013 0.000 1.210 36 W HN 0.447 nan 8.180 nan 0.000 0.620 37 R N 1.086 121.768 120.500 0.304 0.000 2.566 37 R HA 0.111 4.451 4.340 -0.000 0.000 0.388 37 R C -0.364 176.025 176.300 0.148 0.000 0.989 37 R CA -0.212 55.990 56.100 0.170 0.000 1.164 37 R CB -0.102 30.268 30.300 0.116 0.000 1.459 37 R HN 0.273 nan 8.270 nan 0.000 0.553 38 N N 0.234 119.043 118.700 0.181 0.000 2.397 38 N HA 0.034 4.774 4.740 -0.000 0.000 0.291 38 N C 0.474 175.962 175.510 -0.038 0.000 1.065 38 N CA -0.042 53.050 53.050 0.070 0.000 0.884 38 N CB 2.206 40.730 38.487 0.062 0.000 1.551 38 N HN -0.113 nan 8.380 nan 0.000 0.487 39 S N 2.434 118.094 115.700 -0.066 0.000 2.402 39 S HA -0.041 4.429 4.470 -0.000 0.000 0.229 39 S C 1.198 175.659 174.600 -0.233 0.000 1.021 39 S CA 1.258 59.382 58.200 -0.126 0.000 0.974 39 S CB -0.045 63.125 63.200 -0.049 0.000 0.800 39 S HN 0.651 nan 8.310 nan 0.000 0.484 40 E N 0.630 120.719 120.200 -0.185 0.000 2.028 40 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 40 E C 2.219 178.625 176.600 -0.323 0.000 0.988 40 E CA 1.335 57.595 56.400 -0.233 0.000 0.799 40 E CB -0.199 29.405 29.700 -0.160 0.000 0.755 40 E HN 0.679 nan 8.360 nan 0.000 0.447 41 E N 0.363 120.396 120.200 -0.278 0.000 2.065 41 E HA -0.271 4.079 4.350 -0.000 0.000 0.201 41 E C 2.043 178.090 176.600 -0.922 0.000 1.016 41 E CA 1.228 57.446 56.400 -0.304 0.000 0.818 41 E CB -0.204 29.535 29.700 0.066 0.000 0.749 41 E HN 0.231 nan 8.360 nan 0.000 0.453 42 A N 1.248 123.027 122.820 -1.734 0.000 1.940 42 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 42 A C 2.098 179.048 177.584 -1.057 0.000 1.176 42 A CA 1.672 52.269 52.037 -2.400 0.000 0.631 42 A CB -0.503 17.624 19.000 -1.455 0.000 0.814 42 A HN 0.106 nan 8.150 nan 0.000 0.446 43 R N -0.237 119.893 120.500 -0.618 0.000 2.189 43 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 43 R C 0.988 177.069 176.300 -0.365 0.000 1.074 43 R CA 1.638 57.474 56.100 -0.440 0.000 0.991 43 R CB -0.185 29.791 30.300 -0.540 0.000 0.883 43 R HN 0.597 nan 8.270 nan 0.000 0.457 44 T N -2.190 112.164 114.554 -0.334 0.000 3.269 44 T HA 0.068 4.418 4.350 -0.000 0.000 0.269 44 T C 0.069 174.710 174.700 -0.097 0.000 0.993 44 T CA -0.174 61.808 62.100 -0.197 0.000 0.909 44 T CB 0.277 69.043 68.868 -0.169 0.000 1.115 44 T HN 0.133 nan 8.240 nan 0.000 0.543 45 D N 1.751 122.084 120.400 -0.111 0.000 2.755 45 D HA -0.200 4.440 4.640 -0.000 0.000 0.228 45 D C 0.347 176.794 176.300 0.245 0.000 1.172 45 D CA 0.658 54.726 54.000 0.113 0.000 0.630 45 D CB -0.765 40.122 40.800 0.146 0.000 1.040 45 D HN 0.635 nan 8.370 nan 0.000 0.418 46 R N 0.065 120.689 120.500 0.206 0.000 2.726 46 R HA 0.360 4.700 4.340 -0.000 0.000 0.272 46 R C -1.959 174.609 176.300 0.446 0.000 1.097 46 R CA -1.086 55.171 56.100 0.262 0.000 1.198 46 R CB 0.114 30.512 30.300 0.163 0.000 1.114 46 R HN 0.135 nan 8.270 nan 0.000 0.550 47 P HA -0.003 nan 4.420 nan 0.000 0.271 47 P C -0.839 176.576 177.300 0.192 0.000 1.216 47 P CA -0.047 63.176 63.100 0.204 0.000 0.776 47 P CB 1.112 32.891 31.700 0.131 0.000 0.881 48 S N 2.224 117.909 115.700 -0.025 0.000 2.442 48 S HA 0.113 4.583 4.470 -0.000 0.000 0.297 48 S C 1.160 175.742 174.600 -0.029 0.000 1.131 48 S CA -0.614 57.481 58.200 -0.176 0.000 1.092 48 S CB 0.572 63.288 63.200 -0.807 0.000 0.998 48 S HN 0.324 nan 8.310 nan 0.000 0.478 49 Q N 2.786 122.622 119.800 0.060 0.000 2.439 49 Q HA -0.129 4.211 4.340 -0.000 0.000 0.211 49 Q C 0.697 176.850 176.000 0.254 0.000 0.978 49 Q CA 1.131 57.022 55.803 0.146 0.000 0.897 49 Q CB -0.220 28.615 28.738 0.163 0.000 0.956 49 Q HN 0.743 nan 8.270 nan 0.000 0.483 50 Q N -0.276 119.606 119.800 0.137 0.000 2.319 50 Q HA 0.147 4.487 4.340 -0.000 0.000 0.202 50 Q C -0.461 175.626 176.000 0.145 0.000 0.896 50 Q CA 0.109 55.987 55.803 0.125 0.000 0.942 50 Q CB 0.587 29.268 28.738 -0.094 0.000 1.083 50 Q HN 0.066 nan 8.270 nan 0.000 0.510 51 L N 1.061 122.351 121.223 0.112 0.000 2.280 51 L HA 0.425 4.765 4.340 -0.000 0.000 0.287 51 L C -0.959 176.001 176.870 0.150 0.000 1.023 51 L CA -0.174 54.722 54.840 0.094 0.000 0.819 51 L CB 1.036 43.084 42.059 -0.020 0.000 1.212 51 L HN -0.077 nan 8.230 nan 0.000 0.420 52 R N 2.806 123.419 120.500 0.188 0.000 2.451 52 R HA 0.329 4.669 4.340 -0.000 0.000 0.307 52 R C -0.568 175.770 176.300 0.064 0.000 0.965 52 R CA -0.311 55.868 56.100 0.132 0.000 0.865 52 R CB 1.881 32.282 30.300 0.168 0.000 1.174 52 R HN 0.734 nan 8.270 nan 0.000 0.455 53 S N 3.126 118.849 115.700 0.038 0.000 2.579 53 S HA 0.178 4.648 4.470 -0.000 0.000 0.275 53 S C 0.901 175.512 174.600 0.017 0.000 1.345 53 S CA -0.153 58.059 58.200 0.020 0.000 1.031 53 S CB 0.522 63.741 63.200 0.031 0.000 0.892 53 S HN 0.659 nan 8.310 nan 0.000 0.529 54 L N 2.475 123.719 121.223 0.036 0.000 3.135 54 L HA 0.278 4.618 4.340 -0.000 0.000 0.279 54 L C -0.043 177.037 176.870 0.349 0.000 1.200 54 L CA -0.383 54.527 54.840 0.117 0.000 1.016 54 L CB -0.066 42.020 42.059 0.045 0.000 1.391 54 L HN 0.532 nan 8.230 nan 0.000 0.588 55 N N 1.831 120.628 118.700 0.161 0.000 2.458 55 N HA 0.401 5.141 4.740 -0.000 0.000 0.258 55 N C 0.591 176.233 175.510 0.220 0.000 1.219 55 N CA 0.974 54.096 53.050 0.119 0.000 0.902 55 N CB 1.475 39.975 38.487 0.023 0.000 1.076 55 N HN 0.338 nan 8.380 nan 0.000 0.455 56 G N 1.114 110.080 108.800 0.277 0.000 2.441 56 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.222 56 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.222 56 G C -1.601 173.544 174.900 0.408 0.000 1.254 56 G CA -0.730 44.539 45.100 0.283 0.000 0.959 56 G HN 0.435 nan 8.290 nan 0.000 0.474 57 E N -0.176 120.232 120.200 0.346 0.000 2.227 57 E HA 0.522 4.872 4.350 -0.000 0.000 0.282 57 E C -1.084 175.797 176.600 0.469 0.000 1.015 57 E CA -0.289 56.320 56.400 0.349 0.000 0.823 57 E CB 1.436 31.248 29.700 0.186 0.000 1.081 57 E HN 0.370 nan 8.360 nan 0.000 0.396 58 W N 1.016 122.400 121.300 0.140 0.000 3.055 58 W HA 0.443 5.103 4.660 -0.000 0.000 0.340 58 W C -0.197 176.433 176.519 0.185 0.000 1.180 58 W CA -0.791 56.664 57.345 0.182 0.000 1.077 58 W CB 0.964 30.579 29.460 0.259 0.000 1.479 58 W HN 0.199 nan 8.180 nan 0.000 0.593 59 R N 1.790 122.557 120.500 0.444 0.000 2.310 59 R HA 0.359 4.699 4.340 -0.000 0.000 0.316 59 R C -1.361 175.101 176.300 0.270 0.000 1.004 59 R CA -0.660 55.618 56.100 0.296 0.000 0.900 59 R CB 0.911 31.333 30.300 0.204 0.000 1.152 59 R HN 0.316 nan 8.270 nan 0.000 0.513 60 F N 2.166 122.116 119.950 0.001 0.000 2.425 60 F HA 0.703 5.230 4.527 -0.000 0.000 0.331 60 F C -0.638 174.980 175.800 -0.303 0.000 1.085 60 F CA -0.422 57.413 58.000 -0.275 0.000 1.028 60 F CB 1.336 40.041 39.000 -0.491 0.000 1.177 60 F HN 0.518 nan 8.300 nan 0.000 0.487 61 A N 4.437 126.334 122.820 -1.538 0.000 2.530 61 A HA 0.735 5.055 4.320 -0.000 0.000 0.288 61 A C -2.327 174.231 177.584 -1.710 0.000 1.172 61 A CA -0.637 50.675 52.037 -1.207 0.000 0.733 61 A CB 0.952 19.598 19.000 -0.592 0.000 1.320 61 A HN 0.998 nan 8.150 nan 0.000 0.419 62 W N 0.140 120.650 121.300 -1.316 0.000 3.256 62 W HA 0.714 5.374 4.660 -0.000 0.000 0.324 62 W C -2.587 173.383 176.519 -0.916 0.000 1.196 62 W CA -0.486 56.238 57.345 -1.034 0.000 1.206 62 W CB 1.466 30.473 29.460 -0.756 0.000 1.385 62 W HN 0.535 nan 8.180 nan 0.000 0.522 63 F N 5.235 124.392 119.950 -1.322 0.000 2.588 63 F HA 0.422 4.949 4.527 -0.000 0.000 0.310 63 F C -1.438 173.402 175.800 -1.599 0.000 1.082 63 F CA -2.348 55.027 58.000 -1.041 0.000 0.929 63 F CB 1.648 40.293 39.000 -0.591 0.000 1.254 63 F HN 0.124 nan 8.300 nan 0.000 0.455 64 P HA 0.026 nan 4.420 nan 0.000 0.222 64 P C -0.178 177.016 177.300 -0.175 0.000 1.147 64 P CA 1.212 64.164 63.100 -0.247 0.000 0.790 64 P CB 0.555 32.340 31.700 0.142 0.000 0.780 65 A N -1.577 121.135 122.820 -0.180 0.000 2.610 65 A HA 0.562 4.882 4.320 -0.000 0.000 0.291 65 A C -2.464 174.996 177.584 -0.206 0.000 1.086 65 A CA -1.087 50.871 52.037 -0.132 0.000 0.677 65 A CB 0.596 19.583 19.000 -0.021 0.000 1.278 65 A HN -0.292 nan 8.150 nan 0.000 0.414 66 P HA -0.032 nan 4.420 nan 0.000 0.217 66 P C 0.618 177.785 177.300 -0.222 0.000 1.154 66 P CA 1.416 64.343 63.100 -0.289 0.000 0.841 66 P CB 0.030 31.512 31.700 -0.364 0.000 0.788 67 E N -0.137 120.003 120.200 -0.100 0.000 2.501 67 E HA -0.034 4.316 4.350 -0.000 0.000 0.203 67 E C 1.499 178.049 176.600 -0.084 0.000 1.072 67 E CA 0.762 57.135 56.400 -0.045 0.000 0.885 67 E CB -0.520 29.200 29.700 0.033 0.000 0.813 67 E HN 0.241 nan 8.360 nan 0.000 0.556 68 A N 0.644 123.374 122.820 -0.151 0.000 2.288 68 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 68 A C 1.017 178.396 177.584 -0.341 0.000 1.199 68 A CA -0.321 51.649 52.037 -0.112 0.000 0.891 68 A CB 0.444 19.475 19.000 0.052 0.000 0.923 68 A HN 0.054 nan 8.150 nan 0.000 0.500 69 V N 1.640 121.164 119.914 -0.650 0.000 3.287 69 V HA 0.180 4.300 4.120 -0.000 0.000 0.306 69 V C -2.295 173.555 176.094 -0.405 0.000 1.103 69 V CA -0.596 61.135 62.300 -0.948 0.000 1.159 69 V CB 0.313 31.595 31.823 -0.901 0.000 1.036 69 V HN 0.368 nan 8.190 nan 0.000 0.487 70 P HA 0.452 nan 4.420 nan 0.000 0.308 70 P C 0.047 177.315 177.300 -0.053 0.000 1.416 70 P CA -0.713 62.325 63.100 -0.103 0.000 1.059 70 P CB 1.926 33.614 31.700 -0.020 0.000 1.289 71 E N 1.266 121.429 120.200 -0.061 0.000 2.147 71 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 71 E C 1.571 178.128 176.600 -0.072 0.000 1.005 71 E CA 2.423 58.776 56.400 -0.078 0.000 0.810 71 E CB -0.438 29.221 29.700 -0.068 0.000 0.736 71 E HN 0.439 nan 8.360 nan 0.000 0.460 72 S N -0.420 115.266 115.700 -0.024 0.000 2.402 72 S HA -0.226 4.244 4.470 -0.000 0.000 0.233 72 S C 1.624 176.217 174.600 -0.012 0.000 1.030 72 S CA 1.075 59.266 58.200 -0.015 0.000 1.003 72 S CB -0.857 62.353 63.200 0.016 0.000 0.813 72 S HN 0.568 nan 8.310 nan 0.000 0.477 73 W N 2.474 123.692 121.300 -0.136 0.000 2.341 73 W HA -0.065 4.595 4.660 -0.000 0.000 0.283 73 W C 1.486 177.905 176.519 -0.166 0.000 1.215 73 W CA 0.724 57.985 57.345 -0.141 0.000 1.211 73 W CB -0.551 28.798 29.460 -0.184 0.000 1.131 73 W HN 0.268 nan 8.180 nan 0.000 0.552 74 L N 0.060 121.003 121.223 -0.468 0.000 2.072 74 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 74 L C 2.653 179.285 176.870 -0.396 0.000 1.079 74 L CA 1.323 55.779 54.840 -0.640 0.000 0.752 74 L CB -0.724 40.975 42.059 -0.601 0.000 0.906 74 L HN -0.165 nan 8.230 nan 0.000 0.436 75 E N -0.514 119.544 120.200 -0.238 0.000 2.060 75 E HA 0.021 4.371 4.350 -0.000 0.000 0.189 75 E C 0.470 177.001 176.600 -0.115 0.000 0.974 75 E CA 0.674 56.989 56.400 -0.141 0.000 0.808 75 E CB 0.166 29.815 29.700 -0.085 0.000 0.768 75 E HN 0.474 nan 8.360 nan 0.000 0.453 76 C N 0.651 119.896 119.300 -0.091 0.000 2.797 76 C HA 0.490 4.950 4.460 -0.000 0.000 0.306 76 C C 0.039 175.045 174.990 0.027 0.000 1.207 76 C CA -1.669 57.328 59.018 -0.035 0.000 1.507 76 C CB 1.568 29.302 27.740 -0.009 0.000 2.028 76 C HN 0.046 nan 8.230 nan 0.000 0.475 77 D N 1.052 121.487 120.400 0.059 0.000 2.449 77 D HA 0.173 4.813 4.640 -0.000 0.000 0.236 77 D C 0.058 176.452 176.300 0.157 0.000 1.149 77 D CA 0.415 54.505 54.000 0.150 0.000 0.878 77 D CB 0.702 41.569 40.800 0.112 0.000 1.198 77 D HN 0.496 nan 8.370 nan 0.000 0.446 78 L N 4.175 125.515 121.223 0.196 0.000 2.426 78 L HA 0.072 4.412 4.340 -0.000 0.000 0.271 78 L C -0.925 175.984 176.870 0.065 0.000 1.169 78 L CA -1.296 53.612 54.840 0.114 0.000 0.836 78 L CB 0.748 42.855 42.059 0.080 0.000 1.112 78 L HN 0.335 nan 8.230 nan 0.000 0.465 79 P HA -0.145 nan 4.420 nan 0.000 0.215 79 P C 0.576 177.889 177.300 0.021 0.000 1.157 79 P CA 1.188 64.307 63.100 0.032 0.000 0.859 79 P CB 0.119 31.834 31.700 0.025 0.000 0.786 80 E N -0.051 120.153 120.200 0.007 0.000 2.438 80 E HA 0.307 4.657 4.350 -0.000 0.000 0.192 80 E C 0.499 177.082 176.600 -0.029 0.000 1.110 80 E CA -0.279 56.112 56.400 -0.016 0.000 0.893 80 E CB -0.514 29.162 29.700 -0.039 0.000 0.990 80 E HN 0.172 nan 8.360 nan 0.000 0.490 81 A N 1.604 124.420 122.820 -0.006 0.000 2.331 81 A HA 0.214 4.534 4.320 -0.000 0.000 0.283 81 A C -0.329 177.281 177.584 0.042 0.000 1.142 81 A CA -0.703 51.327 52.037 -0.012 0.000 0.812 81 A CB 0.542 19.557 19.000 0.025 0.000 1.074 81 A HN 0.078 nan 8.150 nan 0.000 0.497 82 D N 0.910 121.356 120.400 0.076 0.000 2.326 82 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 82 D C -0.432 175.966 176.300 0.163 0.000 1.001 82 D CA -0.106 53.974 54.000 0.132 0.000 0.961 82 D CB 1.330 42.249 40.800 0.198 0.000 1.183 82 D HN 0.407 nan 8.370 nan 0.000 0.502 83 T N 0.668 115.309 114.554 0.146 0.000 2.856 83 T HA 0.436 4.786 4.350 -0.000 0.000 0.292 83 T C 0.036 174.840 174.700 0.173 0.000 0.980 83 T CA -0.380 61.818 62.100 0.163 0.000 1.091 83 T CB 0.873 69.812 68.868 0.118 0.000 0.936 83 T HN 0.074 nan 8.240 nan 0.000 0.503 84 V N 3.134 123.183 119.914 0.225 0.000 3.007 84 V HA 0.484 4.604 4.120 -0.000 0.000 0.311 84 V C -0.182 176.039 176.094 0.212 0.000 1.120 84 V CA -0.981 61.439 62.300 0.199 0.000 0.980 84 V CB 2.320 34.293 31.823 0.250 0.000 1.033 84 V HN 0.619 nan 8.190 nan 0.000 0.429 85 V N 2.567 122.579 119.914 0.164 0.000 2.567 85 V HA 0.553 4.673 4.120 -0.000 0.000 0.289 85 V C -0.259 175.890 176.094 0.091 0.000 1.049 85 V CA -0.239 62.141 62.300 0.133 0.000 0.969 85 V CB 1.776 33.643 31.823 0.074 0.000 0.995 85 V HN 0.598 nan 8.190 nan 0.000 0.471 86 V N 6.613 126.500 119.914 -0.046 0.000 2.638 86 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 86 V C -2.359 173.605 176.094 -0.218 0.000 1.052 86 V CA -1.837 60.322 62.300 -0.234 0.000 0.885 86 V CB 2.901 34.310 31.823 -0.689 0.000 0.999 86 V HN 0.781 nan 8.190 nan 0.000 0.424 87 P HA 0.364 nan 4.420 nan 0.000 0.275 87 P C -0.867 176.376 177.300 -0.095 0.000 1.228 87 P CA 0.102 63.099 63.100 -0.172 0.000 0.786 87 P CB 1.198 32.812 31.700 -0.144 0.000 0.927 88 S N 1.137 116.805 115.700 -0.054 0.000 2.587 88 S HA 0.443 4.913 4.470 -0.000 0.000 0.269 88 S C -1.446 173.113 174.600 -0.068 0.000 1.154 88 S CA -0.949 57.218 58.200 -0.055 0.000 0.824 88 S CB 0.797 63.993 63.200 -0.006 0.000 1.118 88 S HN 0.361 nan 8.310 nan 0.000 0.462 89 N N 1.109 119.691 118.700 -0.195 0.000 2.407 89 N HA 0.391 5.131 4.740 -0.000 0.000 0.277 89 N C 0.389 175.689 175.510 -0.349 0.000 0.995 89 N CA -0.799 52.097 53.050 -0.256 0.000 0.903 89 N CB 0.880 39.201 38.487 -0.276 0.000 1.218 89 N HN 0.848 nan 8.380 nan 0.000 0.487 90 W N 3.162 124.288 121.300 -0.289 0.000 2.387 90 W HA -0.146 4.514 4.660 -0.000 0.000 0.272 90 W C 0.790 177.241 176.519 -0.113 0.000 1.224 90 W CA 1.018 58.196 57.345 -0.279 0.000 1.210 90 W CB -0.240 28.996 29.460 -0.373 0.000 1.125 90 W HN 0.539 nan 8.180 nan 0.000 0.572 91 Q N 0.432 120.134 119.800 -0.163 0.000 2.311 91 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 91 Q C 2.085 178.003 176.000 -0.137 0.000 0.954 91 Q CA 1.262 56.999 55.803 -0.109 0.000 0.885 91 Q CB -0.460 28.125 28.738 -0.256 0.000 0.963 91 Q HN 0.329 nan 8.270 nan 0.000 0.471 92 M N -0.530 118.951 119.600 -0.199 0.000 2.659 92 M HA 0.011 4.491 4.480 -0.000 0.000 0.243 92 M C 0.305 176.672 176.300 0.112 0.000 1.111 92 M CA 1.196 56.429 55.300 -0.111 0.000 1.070 92 M CB -0.375 32.154 32.600 -0.119 0.000 1.525 92 M HN 0.395 nan 8.290 nan 0.000 0.517 93 H N -1.146 117.924 119.070 0.000 0.000 3.170 93 H HA 0.306 4.862 4.556 -0.000 0.000 0.264 93 H C 1.243 176.431 175.328 -0.234 0.000 1.113 93 H CA 0.132 56.144 56.048 -0.060 0.000 1.194 93 H CB 0.881 30.677 29.762 0.057 0.000 1.553 93 H HN 0.516 nan 8.280 nan 0.000 0.538 94 G N 0.731 109.503 108.800 -0.047 0.000 2.141 94 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.231 94 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.231 94 G C 0.279 175.034 174.900 -0.242 0.000 0.984 94 G CA 0.116 45.128 45.100 -0.147 0.000 0.660 94 G HN 0.423 nan 8.290 nan 0.000 0.525 95 Y N 1.592 121.903 120.300 0.017 0.000 2.352 95 Y HA 0.262 4.812 4.550 -0.000 0.000 0.292 95 Y C 1.652 177.329 175.900 -0.372 0.000 1.136 95 Y CA 1.648 59.616 58.100 -0.220 0.000 1.227 95 Y CB 0.166 38.516 38.460 -0.183 0.000 0.991 95 Y HN 0.697 nan 8.280 nan 0.000 0.545 96 D N -2.517 117.978 120.400 0.159 0.000 2.779 96 D HA 0.531 5.171 4.640 -0.000 0.000 0.331 96 D C -1.250 175.125 176.300 0.125 0.000 1.331 96 D CA -0.817 53.283 54.000 0.168 0.000 0.866 96 D CB 0.614 41.680 40.800 0.443 0.000 1.409 96 D HN -0.064 nan 8.370 nan 0.000 0.486 97 A N -0.560 122.341 122.820 0.136 0.000 2.295 97 A HA 0.780 5.100 4.320 -0.000 0.000 0.318 97 A C -2.522 175.067 177.584 0.008 0.000 1.134 97 A CA -1.340 50.736 52.037 0.066 0.000 0.827 97 A CB 0.391 19.493 19.000 0.170 0.000 1.136 97 A HN 0.467 nan 8.150 nan 0.000 0.493 98 P HA 0.561 nan 4.420 nan 0.000 0.281 98 P C -0.830 176.618 177.300 0.247 0.000 1.249 98 P CA -0.099 62.925 63.100 -0.126 0.000 0.810 98 P CB 0.816 32.158 31.700 -0.597 0.000 1.008 99 I N 1.162 121.997 120.570 0.441 0.000 2.740 99 I HA 0.417 4.587 4.170 -0.000 0.000 0.303 99 I C -0.913 175.442 176.117 0.396 0.000 1.044 99 I CA -0.968 60.600 61.300 0.448 0.000 1.064 99 I CB 2.068 40.237 38.000 0.281 0.000 1.249 99 I HN 0.317 nan 8.210 nan 0.000 0.433 100 Y N 3.636 123.864 120.300 -0.120 0.000 2.327 100 Y HA 0.515 5.065 4.550 -0.000 0.000 0.325 100 Y C -1.047 174.683 175.900 -0.282 0.000 0.999 100 Y CA -0.283 57.479 58.100 -0.563 0.000 1.195 100 Y CB 1.450 39.009 38.460 -1.501 0.000 1.132 100 Y HN 0.610 nan 8.280 nan 0.000 0.455 101 T N 4.035 118.013 114.554 -0.960 0.000 2.906 101 T HA 0.321 4.671 4.350 -0.000 0.000 0.295 101 T C -0.034 174.106 174.700 -0.933 0.000 1.061 101 T CA -0.966 60.675 62.100 -0.765 0.000 1.000 101 T CB 2.245 70.876 68.868 -0.394 0.000 1.103 101 T HN 0.789 nan 8.240 nan 0.000 0.486 102 N N 0.348 118.642 118.700 -0.675 0.000 2.400 102 N HA 0.057 4.796 4.740 -0.000 0.000 0.228 102 N C 1.384 176.571 175.510 -0.537 0.000 1.023 102 N CA 0.103 52.822 53.050 -0.552 0.000 1.150 102 N CB 0.223 38.436 38.487 -0.457 0.000 1.452 102 N HN 0.252 nan 8.380 nan 0.000 0.605 103 V N 0.879 120.418 119.914 -0.626 0.000 2.535 103 V HA 0.009 4.129 4.120 -0.000 0.000 0.246 103 V C 0.381 176.123 176.094 -0.587 0.000 1.045 103 V CA 0.950 62.778 62.300 -0.787 0.000 1.058 103 V CB -0.046 31.221 31.823 -0.927 0.000 0.689 103 V HN 0.425 nan 8.190 nan 0.000 0.461 104 T N 0.896 115.192 114.554 -0.430 0.000 2.834 104 T HA 0.211 4.561 4.350 -0.000 0.000 0.298 104 T C -0.432 174.114 174.700 -0.256 0.000 0.966 104 T CA 0.076 61.999 62.100 -0.294 0.000 1.141 104 T CB -0.086 68.666 68.868 -0.194 0.000 0.905 104 T HN 0.178 nan 8.240 nan 0.000 0.535 105 Y N 4.067 124.250 120.300 -0.196 0.000 2.480 105 Y HA 0.179 4.729 4.550 -0.000 0.000 0.338 105 Y C -1.109 174.641 175.900 -0.250 0.000 1.220 105 Y CA -1.995 55.971 58.100 -0.224 0.000 1.430 105 Y CB 0.271 38.590 38.460 -0.236 0.000 1.311 105 Y HN 0.522 nan 8.280 nan 0.000 0.575 106 P HA -0.033 nan 4.420 nan 0.000 0.242 106 P C -0.251 176.798 177.300 -0.418 0.000 1.197 106 P CA 1.115 64.068 63.100 -0.245 0.000 0.765 106 P CB 0.066 31.576 31.700 -0.316 0.000 0.936 107 I N -5.692 114.631 120.570 -0.413 0.000 3.174 107 I HA 0.450 4.620 4.170 -0.000 0.000 0.313 107 I C -0.820 175.160 176.117 -0.228 0.000 1.155 107 I CA -1.048 59.987 61.300 -0.443 0.000 0.977 107 I CB 1.875 39.438 38.000 -0.729 0.000 1.248 107 I HN -0.459 nan 8.210 nan 0.000 0.453 108 T N 2.264 116.732 114.554 -0.144 0.000 2.926 108 T HA 0.255 4.605 4.350 -0.000 0.000 0.307 108 T C 0.114 174.799 174.700 -0.025 0.000 1.059 108 T CA -0.198 61.873 62.100 -0.048 0.000 1.122 108 T CB 1.130 69.997 68.868 -0.001 0.000 0.972 108 T HN 0.379 nan 8.240 nan 0.000 0.545 109 V N 3.891 123.815 119.914 0.018 0.000 2.368 109 V HA 0.391 4.511 4.120 -0.000 0.000 0.266 109 V C 0.358 176.510 176.094 0.096 0.000 1.045 109 V CA -0.337 62.001 62.300 0.064 0.000 0.899 109 V CB 0.603 32.451 31.823 0.041 0.000 1.006 109 V HN 0.910 nan 8.190 nan 0.000 0.470 110 N N 5.709 124.515 118.700 0.177 0.000 2.820 110 N HA 0.248 4.988 4.740 -0.000 0.000 0.209 110 N C -3.082 172.485 175.510 0.095 0.000 1.406 110 N CA -0.936 52.203 53.050 0.148 0.000 0.916 110 N CB 1.451 40.066 38.487 0.214 0.000 1.532 110 N HN 0.260 nan 8.380 nan 0.000 0.559 111 P HA 0.194 nan 4.420 nan 0.000 0.266 111 P C -2.281 174.790 177.300 -0.381 0.000 1.195 111 P CA -0.777 61.843 63.100 -0.800 0.000 0.768 111 P CB 0.479 31.649 31.700 -0.884 0.000 0.838 112 P HA 0.223 nan 4.420 nan 0.000 0.266 112 P C -0.461 176.738 177.300 -0.169 0.000 1.561 112 P CA -0.348 62.527 63.100 -0.374 0.000 1.089 112 P CB 0.082 31.579 31.700 -0.338 0.000 1.534 113 F N 0.227 120.261 119.950 0.140 0.000 2.496 113 F HA 0.205 4.732 4.527 -0.000 0.000 0.344 113 F C 1.151 177.140 175.800 0.316 0.000 1.155 113 F CA -0.090 58.025 58.000 0.191 0.000 1.302 113 F CB 0.403 39.469 39.000 0.110 0.000 1.159 113 F HN -0.275 nan 8.300 nan 0.000 0.595 114 V N 3.640 123.854 119.914 0.500 0.000 2.760 114 V HA 0.382 4.502 4.120 -0.000 0.000 0.309 114 V C -2.089 174.215 176.094 0.350 0.000 1.077 114 V CA -2.065 60.467 62.300 0.387 0.000 0.910 114 V CB 2.218 34.325 31.823 0.474 0.000 1.008 114 V HN 0.571 nan 8.190 nan 0.000 0.424 115 P HA -0.025 nan 4.420 nan 0.000 0.266 115 P C 1.055 178.514 177.300 0.266 0.000 1.180 115 P CA 0.442 63.672 63.100 0.216 0.000 0.765 115 P CB 0.251 32.056 31.700 0.174 0.000 0.806 116 T N -0.944 113.731 114.554 0.202 0.000 2.833 116 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 116 T C 0.353 175.159 174.700 0.177 0.000 1.054 116 T CA 1.028 63.240 62.100 0.186 0.000 1.135 116 T CB -0.572 68.376 68.868 0.133 0.000 0.869 116 T HN 0.374 nan 8.240 nan 0.000 0.466 117 E N 2.644 122.957 120.200 0.188 0.000 1.963 117 E HA 0.397 4.747 4.350 -0.000 0.000 0.274 117 E C -0.636 176.099 176.600 0.224 0.000 1.061 117 E CA -0.285 56.224 56.400 0.181 0.000 0.847 117 E CB 0.165 29.986 29.700 0.201 0.000 1.083 117 E HN 0.225 nan 8.360 nan 0.000 0.402 118 N N 3.932 122.704 118.700 0.120 0.000 2.706 118 N HA 0.243 4.983 4.740 -0.000 0.000 0.240 118 N C -2.698 172.745 175.510 -0.113 0.000 1.039 118 N CA -2.692 50.397 53.050 0.065 0.000 0.888 118 N CB 0.846 39.355 38.487 0.037 0.000 1.128 118 N HN 0.043 nan 8.380 nan 0.000 0.512 119 P HA -0.026 nan 4.420 nan 0.000 0.253 119 P C -0.672 176.441 177.300 -0.311 0.000 1.159 119 P CA 0.526 63.467 63.100 -0.266 0.000 0.779 119 P CB -0.062 31.800 31.700 0.270 0.000 0.745 120 T N 3.037 117.202 114.554 -0.648 0.000 2.767 120 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 120 T C 0.685 174.925 174.700 -0.766 0.000 0.973 120 T CA -0.439 61.354 62.100 -0.512 0.000 0.996 120 T CB 1.342 69.951 68.868 -0.432 0.000 0.927 120 T HN 0.334 nan 8.240 nan 0.000 0.456 121 G N 1.305 109.776 108.800 -0.549 0.000 2.866 121 G HA2 0.421 4.381 3.960 -0.000 0.000 0.318 121 G HA3 0.421 4.381 3.960 -0.000 0.000 0.318 121 G C 0.054 174.878 174.900 -0.126 0.000 1.336 121 G CA -0.581 44.207 45.100 -0.521 0.000 1.067 121 G HN 0.928 nan 8.290 nan 0.000 0.515 122 C N 3.710 122.629 119.300 -0.636 0.000 2.423 122 C HA 0.284 4.744 4.460 -0.000 0.000 0.378 122 C C 0.137 175.005 174.990 -0.204 0.000 1.068 122 C CA -1.451 57.144 59.018 -0.706 0.000 1.371 122 C CB -2.507 24.128 27.740 -1.842 0.000 1.856 122 C HN 0.547 nan 8.230 nan 0.000 0.523 123 Y N 1.558 122.014 120.300 0.259 0.000 2.299 123 Y HA 0.522 5.072 4.550 -0.000 0.000 0.335 123 Y C 0.904 177.237 175.900 0.721 0.000 1.287 123 Y CA -0.160 58.256 58.100 0.528 0.000 1.424 123 Y CB 0.598 39.404 38.460 0.575 0.000 1.326 123 Y HN 0.604 nan 8.280 nan 0.000 0.567 124 S N 1.557 117.757 115.700 0.833 0.000 2.547 124 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 124 S C -2.092 172.662 174.600 0.258 0.000 1.150 124 S CA -0.725 57.815 58.200 0.567 0.000 0.850 124 S CB 1.407 64.941 63.200 0.556 0.000 1.118 124 S HN 0.739 nan 8.310 nan 0.000 0.461 125 L N 2.084 123.295 121.223 -0.020 0.000 2.549 125 L HA 0.733 5.073 4.340 -0.000 0.000 0.259 125 L C -1.057 175.772 176.870 -0.069 0.000 0.934 125 L CA 0.136 54.760 54.840 -0.361 0.000 0.865 125 L CB 2.214 43.427 42.059 -1.410 0.000 1.352 125 L HN 0.851 nan 8.230 nan 0.000 0.410 126 T N 4.622 119.165 114.554 -0.018 0.000 2.859 126 T HA 0.868 5.218 4.350 -0.000 0.000 0.281 126 T C -1.024 173.812 174.700 0.228 0.000 1.005 126 T CA -0.133 62.033 62.100 0.110 0.000 1.025 126 T CB 1.000 69.871 68.868 0.004 0.000 0.977 126 T HN 0.530 nan 8.240 nan 0.000 0.458 127 F N -0.293 119.579 119.950 -0.130 0.000 2.770 127 F HA 0.628 5.155 4.527 -0.000 0.000 0.313 127 F C -1.387 174.356 175.800 -0.095 0.000 1.154 127 F CA -1.570 56.357 58.000 -0.122 0.000 0.923 127 F CB 0.714 39.629 39.000 -0.142 0.000 1.301 127 F HN 0.344 nan 8.300 nan 0.000 0.449 128 N N -0.074 118.553 118.700 -0.122 0.000 2.492 128 N HA 0.798 5.538 4.740 -0.000 0.000 0.289 128 N C -1.483 173.924 175.510 -0.171 0.000 1.133 128 N CA -0.577 52.347 53.050 -0.210 0.000 0.961 128 N CB 2.030 40.441 38.487 -0.127 0.000 1.186 128 N HN 0.616 nan 8.380 nan 0.000 0.493 129 V N -0.127 119.659 119.914 -0.213 0.000 2.823 129 V HA 0.399 4.519 4.120 -0.000 0.000 0.312 129 V C -0.497 175.467 176.094 -0.217 0.000 1.072 129 V CA -1.051 61.131 62.300 -0.197 0.000 0.937 129 V CB 1.784 33.547 31.823 -0.100 0.000 1.013 129 V HN 0.606 nan 8.190 nan 0.000 0.430 130 D N 1.710 121.894 120.400 -0.361 0.000 2.345 130 D HA 0.196 4.836 4.640 -0.000 0.000 0.247 130 D C 1.260 177.513 176.300 -0.079 0.000 1.108 130 D CA 0.012 53.856 54.000 -0.261 0.000 0.894 130 D CB 1.403 41.976 40.800 -0.378 0.000 1.203 130 D HN 0.767 nan 8.370 nan 0.000 0.430 131 E N 2.010 122.191 120.200 -0.032 0.000 2.033 131 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 131 E C 1.833 178.481 176.600 0.080 0.000 1.011 131 E CA 1.451 57.865 56.400 0.023 0.000 0.815 131 E CB -0.583 29.125 29.700 0.014 0.000 0.755 131 E HN 0.533 nan 8.360 nan 0.000 0.451 132 S N 1.320 117.070 115.700 0.084 0.000 2.429 132 S HA -0.321 4.149 4.470 -0.000 0.000 0.263 132 S C 1.739 176.445 174.600 0.176 0.000 1.084 132 S CA 1.908 60.189 58.200 0.135 0.000 1.284 132 S CB -1.267 62.034 63.200 0.169 0.000 1.192 132 S HN 0.528 nan 8.310 nan 0.000 0.436 133 W N 1.641 122.803 121.300 -0.230 0.000 2.279 133 W HA -0.068 4.592 4.660 -0.000 0.000 0.298 133 W C 2.472 178.986 176.519 -0.009 0.000 1.228 133 W CA 1.031 58.113 57.345 -0.437 0.000 1.230 133 W CB -0.937 28.313 29.460 -0.351 0.000 1.138 133 W HN 0.344 nan 8.180 nan 0.000 0.532 134 L N -0.787 120.583 121.223 0.245 0.000 2.341 134 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 134 L C 2.103 179.058 176.870 0.142 0.000 1.115 134 L CA 1.006 55.958 54.840 0.187 0.000 0.820 134 L CB -0.659 41.478 42.059 0.130 0.000 0.944 134 L HN 0.102 nan 8.230 nan 0.000 0.452 135 Q N 0.147 120.024 119.800 0.128 0.000 1.922 135 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 135 Q C 0.927 176.991 176.000 0.108 0.000 0.979 135 Q CA 0.897 56.758 55.803 0.097 0.000 0.841 135 Q CB -0.061 28.725 28.738 0.080 0.000 0.903 135 Q HN 0.468 nan 8.270 nan 0.000 0.431 136 E N 0.306 120.588 120.200 0.137 0.000 3.473 136 E HA 0.153 4.503 4.350 -0.000 0.000 0.309 136 E C 1.027 177.695 176.600 0.114 0.000 1.502 136 E CA -0.173 56.304 56.400 0.129 0.000 1.525 136 E CB -0.322 29.469 29.700 0.152 0.000 1.183 136 E HN 0.342 nan 8.360 nan 0.000 0.757 137 G N 0.239 109.027 108.800 -0.019 0.000 2.683 137 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.975 137 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.975 137 G C -0.054 174.705 174.900 -0.234 0.000 1.210 137 G CA 0.974 45.927 45.100 -0.245 0.000 0.846 137 G HN 0.516 nan 8.290 nan 0.000 0.739 138 Q N -1.082 118.445 119.800 -0.454 0.000 2.347 138 Q HA 0.550 4.890 4.340 -0.000 0.000 0.271 138 Q C -1.367 174.496 176.000 -0.230 0.000 1.064 138 Q CA -0.523 55.138 55.803 -0.238 0.000 0.800 138 Q CB 1.687 30.321 28.738 -0.174 0.000 1.304 138 Q HN 0.532 nan 8.270 nan 0.000 0.438 139 T N 3.759 118.340 114.554 0.045 0.000 2.791 139 T HA 0.507 4.857 4.350 -0.000 0.000 0.288 139 T C -0.576 174.227 174.700 0.173 0.000 0.999 139 T CA -0.733 61.469 62.100 0.171 0.000 0.952 139 T CB 0.657 69.753 68.868 0.380 0.000 0.938 139 T HN 0.622 nan 8.240 nan 0.000 0.444 140 R N 2.544 123.130 120.500 0.144 0.000 2.711 140 R HA 0.751 5.091 4.340 -0.000 0.000 0.284 140 R C -1.233 175.181 176.300 0.190 0.000 0.968 140 R CA -0.985 55.215 56.100 0.168 0.000 0.924 140 R CB 1.268 31.644 30.300 0.127 0.000 1.162 140 R HN 0.589 nan 8.270 nan 0.000 0.465 141 I N 4.097 124.807 120.570 0.233 0.000 2.321 141 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 141 I C -0.991 175.276 176.117 0.251 0.000 0.998 141 I CA -0.759 60.669 61.300 0.214 0.000 1.227 141 I CB 0.915 39.080 38.000 0.274 0.000 1.368 141 I HN 0.616 nan 8.210 nan 0.000 0.466 142 I N 8.252 128.863 120.570 0.068 0.000 2.354 142 I HA 0.259 4.429 4.170 -0.000 0.000 0.286 142 I C -1.054 174.994 176.117 -0.115 0.000 1.007 142 I CA -0.415 60.925 61.300 0.066 0.000 1.167 142 I CB 0.707 38.723 38.000 0.027 0.000 1.320 142 I HN 0.416 nan 8.210 nan 0.000 0.458 143 F N 4.701 124.665 119.950 0.024 0.000 2.335 143 F HA 0.226 4.753 4.527 -0.000 0.000 0.365 143 F C 1.429 177.143 175.800 -0.143 0.000 1.122 143 F CA -0.386 57.562 58.000 -0.087 0.000 1.151 143 F CB 0.473 39.402 39.000 -0.119 0.000 1.282 143 F HN 0.454 nan 8.300 nan 0.000 0.513 144 D N 2.312 122.648 120.400 -0.108 0.000 2.310 144 D HA 0.041 4.681 4.640 -0.000 0.000 0.212 144 D C 0.985 177.136 176.300 -0.248 0.000 0.965 144 D CA 0.866 54.762 54.000 -0.173 0.000 0.879 144 D CB 0.387 41.040 40.800 -0.246 0.000 0.921 144 D HN 0.638 nan 8.370 nan 0.000 0.510 145 G N -0.589 108.022 108.800 -0.315 0.000 2.617 145 G HA2 0.407 4.367 3.960 -0.000 0.000 0.305 145 G HA3 0.407 4.367 3.960 -0.000 0.000 0.305 145 G C -1.515 173.116 174.900 -0.448 0.000 1.436 145 G CA -0.538 44.256 45.100 -0.510 0.000 1.036 145 G HN -0.052 nan 8.290 nan 0.000 0.589 146 V N 2.285 122.143 119.914 -0.093 0.000 2.623 146 V HA 0.588 4.708 4.120 -0.000 0.000 0.304 146 V C -0.858 175.347 176.094 0.184 0.000 1.054 146 V CA -1.249 61.038 62.300 -0.022 0.000 0.882 146 V CB 2.102 33.685 31.823 -0.400 0.000 1.002 146 V HN 0.697 nan 8.190 nan 0.000 0.424 147 N N 1.836 120.631 118.700 0.159 0.000 2.407 147 N HA 0.359 5.099 4.740 -0.000 0.000 0.277 147 N C 0.710 176.190 175.510 -0.051 0.000 0.995 147 N CA 0.329 53.390 53.050 0.018 0.000 0.903 147 N CB 2.379 40.729 38.487 -0.229 0.000 1.218 147 N HN 0.776 nan 8.380 nan 0.000 0.487 148 S N 2.246 117.947 115.700 0.003 0.000 2.502 148 S HA 0.436 4.906 4.470 -0.000 0.000 0.228 148 S C 0.625 175.300 174.600 0.125 0.000 1.061 148 S CA 0.285 58.529 58.200 0.074 0.000 0.935 148 S CB 0.273 63.535 63.200 0.104 0.000 0.809 148 S HN 0.570 nan 8.310 nan 0.000 0.510 149 A N 0.622 123.528 122.820 0.144 0.000 2.483 149 A HA 0.892 5.212 4.320 -0.000 0.000 0.286 149 A C -1.058 176.682 177.584 0.261 0.000 1.207 149 A CA -0.793 51.308 52.037 0.107 0.000 0.764 149 A CB 0.960 20.032 19.000 0.120 0.000 1.341 149 A HN 1.319 nan 8.150 nan 0.000 0.428 150 F N -1.930 117.888 119.950 -0.219 0.000 2.843 150 F HA 0.562 5.089 4.527 -0.000 0.000 0.323 150 F C -1.776 174.046 175.800 0.037 0.000 1.142 150 F CA -0.773 57.213 58.000 -0.024 0.000 0.925 150 F CB 0.618 39.584 39.000 -0.056 0.000 1.277 150 F HN 0.664 nan 8.300 nan 0.000 0.446 151 H N 2.303 121.531 119.070 0.264 0.000 2.572 151 H HA 0.756 5.312 4.556 -0.000 0.000 0.359 151 H C -1.500 173.932 175.328 0.172 0.000 1.134 151 H CA -0.680 55.494 56.048 0.211 0.000 1.187 151 H CB 2.547 32.530 29.762 0.368 0.000 1.597 151 H HN 0.751 nan 8.280 nan 0.000 0.524 152 L N 2.369 123.539 121.223 -0.088 0.000 2.313 152 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 152 L C -1.334 175.379 176.870 -0.262 0.000 1.010 152 L CA -0.636 54.135 54.840 -0.114 0.000 0.814 152 L CB 1.469 43.227 42.059 -0.503 0.000 1.304 152 L HN 0.571 nan 8.230 nan 0.000 0.441 153 W N 2.583 123.835 121.300 -0.080 0.000 3.217 153 W HA 0.489 5.149 4.660 -0.000 0.000 0.323 153 W C -1.503 174.952 176.519 -0.107 0.000 1.216 153 W CA -0.676 56.615 57.345 -0.090 0.000 1.194 153 W CB 1.940 31.372 29.460 -0.046 0.000 1.397 153 W HN 0.565 nan 8.180 nan 0.000 0.537 154 C N 4.562 123.950 119.300 0.146 0.000 2.446 154 C HA 0.346 4.806 4.460 -0.000 0.000 0.329 154 C C 0.095 175.201 174.990 0.193 0.000 1.166 154 C CA -0.317 58.773 59.018 0.121 0.000 1.341 154 C CB -0.242 27.504 27.740 0.009 0.000 1.970 154 C HN 0.760 nan 8.230 nan 0.000 0.452 155 N N 3.747 122.525 118.700 0.130 0.000 2.688 155 N HA -0.188 4.552 4.740 -0.000 0.000 0.258 155 N C 1.074 176.651 175.510 0.112 0.000 1.016 155 N CA 1.846 54.952 53.050 0.094 0.000 0.747 155 N CB -1.058 37.491 38.487 0.104 0.000 0.895 155 N HN 1.800 nan 8.380 nan 0.000 0.543 156 G N -0.628 108.214 108.800 0.070 0.000 2.228 156 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.270 156 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.270 156 G C 0.228 175.289 174.900 0.267 0.000 0.976 156 G CA 0.883 46.017 45.100 0.057 0.000 0.636 156 G HN 0.602 nan 8.290 nan 0.000 0.542 157 R N -0.734 119.986 120.500 0.365 0.000 2.198 157 R HA 0.329 4.669 4.340 -0.000 0.000 0.339 157 R C 0.051 176.595 176.300 0.406 0.000 1.020 157 R CA -0.907 55.480 56.100 0.478 0.000 0.864 157 R CB 0.632 31.251 30.300 0.531 0.000 1.105 157 R HN 0.242 nan 8.270 nan 0.000 0.463 158 W N 4.322 125.687 121.300 0.108 0.000 2.385 158 W HA -0.074 4.586 4.660 -0.000 0.000 0.336 158 W C 0.181 176.495 176.519 -0.342 0.000 1.351 158 W CA 0.342 57.300 57.345 -0.644 0.000 1.295 158 W CB 0.527 29.633 29.460 -0.590 0.000 1.239 158 W HN 0.369 nan 8.180 nan 0.000 0.565 159 V N 5.493 124.567 119.914 -1.400 0.000 2.806 159 V HA 0.504 4.624 4.120 -0.000 0.000 0.239 159 V C 1.108 176.204 176.094 -1.664 0.000 1.113 159 V CA 1.203 62.692 62.300 -1.352 0.000 1.137 159 V CB -0.294 30.809 31.823 -1.200 0.000 0.865 159 V HN 0.816 nan 8.190 nan 0.000 0.482 160 G N -1.689 105.902 108.800 -2.015 0.000 2.529 160 G HA2 0.477 4.437 3.960 -0.000 0.000 0.238 160 G HA3 0.477 4.437 3.960 -0.000 0.000 0.238 160 G C -2.054 172.599 174.900 -0.411 0.000 1.207 160 G CA 0.109 44.471 45.100 -1.231 0.000 0.928 160 G HN 0.195 nan 8.290 nan 0.000 0.495 161 Y N -0.660 119.479 120.300 -0.269 0.000 2.452 161 Y HA 0.524 5.074 4.550 -0.000 0.000 0.323 161 Y C -0.404 175.284 175.900 -0.353 0.000 1.244 161 Y CA -0.010 57.812 58.100 -0.463 0.000 1.158 161 Y CB 0.854 39.133 38.460 -0.301 0.000 1.332 161 Y HN 1.262 nan 8.280 nan 0.000 0.456 162 G N 3.622 111.631 108.800 -1.318 0.000 2.714 162 G HA2 0.714 4.674 3.960 -0.000 0.000 0.292 162 G HA3 0.714 4.674 3.960 -0.000 0.000 0.292 162 G C -1.821 172.676 174.900 -0.671 0.000 1.308 162 G CA -0.841 43.842 45.100 -0.697 0.000 0.964 162 G HN 0.640 nan 8.290 nan 0.000 0.484 163 Q N -0.756 118.907 119.800 -0.228 0.000 2.590 163 Q HA 0.432 4.772 4.340 -0.000 0.000 0.295 163 Q C -1.764 174.247 176.000 0.019 0.000 0.973 163 Q CA -0.787 54.964 55.803 -0.087 0.000 0.768 163 Q CB 2.918 31.627 28.738 -0.048 0.000 1.479 163 Q HN 0.750 nan 8.270 nan 0.000 0.419 164 D N 0.282 120.725 120.400 0.071 0.000 5.989 164 D HA -0.103 4.537 4.640 -0.000 0.000 0.236 164 D C -0.365 176.001 176.300 0.109 0.000 1.693 164 D CA 0.967 55.023 54.000 0.094 0.000 1.470 164 D CB -0.359 40.482 40.800 0.068 0.000 0.653 164 D HN 0.587 nan 8.370 nan 0.000 0.358 165 S N 3.171 118.954 115.700 0.139 0.000 2.593 165 S HA 0.071 4.541 4.470 -0.000 0.000 0.217 165 S C 1.558 176.284 174.600 0.211 0.000 0.966 165 S CA 0.043 58.356 58.200 0.190 0.000 0.914 165 S CB 0.556 63.887 63.200 0.218 0.000 0.776 165 S HN 0.409 nan 8.310 nan 0.000 0.523 166 R N 0.714 121.301 120.500 0.146 0.000 2.206 166 R HA 0.459 4.799 4.340 -0.000 0.000 0.198 166 R C 0.230 176.569 176.300 0.066 0.000 0.986 166 R CA 0.223 56.395 56.100 0.121 0.000 1.029 166 R CB -0.430 29.967 30.300 0.162 0.000 0.966 166 R HN 0.378 nan 8.270 nan 0.000 0.487 167 L N 1.901 123.154 121.223 0.051 0.000 2.344 167 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 167 L C -2.071 174.788 176.870 -0.019 0.000 1.035 167 L CA -2.384 52.460 54.840 0.006 0.000 0.807 167 L CB 1.154 43.210 42.059 -0.004 0.000 1.237 167 L HN -0.077 nan 8.230 nan 0.000 0.442 168 P HA 0.068 nan 4.420 nan 0.000 0.269 168 P C -0.940 176.353 177.300 -0.011 0.000 1.209 168 P CA -0.140 62.935 63.100 -0.042 0.000 0.776 168 P CB 0.823 32.465 31.700 -0.097 0.000 0.876 169 S N 1.389 117.142 115.700 0.090 0.000 2.519 169 S HA 0.340 4.810 4.470 -0.000 0.000 0.309 169 S C -0.589 174.081 174.600 0.117 0.000 1.100 169 S CA -0.662 57.584 58.200 0.077 0.000 1.059 169 S CB 1.072 64.438 63.200 0.277 0.000 1.008 169 S HN 0.364 nan 8.310 nan 0.000 0.478 170 E N 2.055 122.140 120.200 -0.191 0.000 2.256 170 E HA 0.638 4.988 4.350 -0.000 0.000 0.267 170 E C -1.479 174.851 176.600 -0.450 0.000 0.892 170 E CA -0.657 55.694 56.400 -0.083 0.000 0.775 170 E CB 1.809 31.516 29.700 0.012 0.000 1.207 170 E HN 0.394 nan 8.360 nan 0.000 0.420 171 F N 0.306 120.318 119.950 0.103 0.000 2.608 171 F HA 0.165 4.692 4.527 -0.000 0.000 0.309 171 F C -0.212 175.622 175.800 0.055 0.000 1.103 171 F CA -1.081 56.941 58.000 0.036 0.000 0.954 171 F CB 1.607 40.586 39.000 -0.036 0.000 1.267 171 F HN 0.270 nan 8.300 nan 0.000 0.444 172 D N 3.110 123.653 120.400 0.237 0.000 2.336 172 D HA 0.205 4.845 4.640 -0.000 0.000 0.249 172 D C 0.508 176.954 176.300 0.242 0.000 1.213 172 D CA 0.204 54.323 54.000 0.198 0.000 0.870 172 D CB 0.988 41.879 40.800 0.152 0.000 1.076 172 D HN 0.581 nan 8.370 nan 0.000 0.483 173 L N 2.831 124.200 121.223 0.245 0.000 2.591 173 L HA -0.044 4.296 4.340 -0.000 0.000 0.228 173 L C 2.192 179.312 176.870 0.417 0.000 1.133 173 L CA -0.072 54.950 54.840 0.304 0.000 0.880 173 L CB -0.111 42.098 42.059 0.249 0.000 1.033 173 L HN 0.316 nan 8.230 nan 0.000 0.450 174 S N 1.388 117.266 115.700 0.297 0.000 2.393 174 S HA -0.321 4.149 4.470 -0.000 0.000 0.234 174 S C 2.007 176.714 174.600 0.178 0.000 1.064 174 S CA 1.977 60.308 58.200 0.218 0.000 1.088 174 S CB -0.211 63.072 63.200 0.138 0.000 0.939 174 S HN 0.595 nan 8.310 nan 0.000 0.448 175 A N -0.627 122.281 122.820 0.147 0.000 2.235 175 A HA 0.280 4.600 4.320 -0.000 0.000 0.208 175 A C 1.350 178.752 177.584 -0.304 0.000 1.172 175 A CA 0.532 52.490 52.037 -0.132 0.000 0.786 175 A CB -0.415 18.356 19.000 -0.382 0.000 0.804 175 A HN 0.495 nan 8.150 nan 0.000 0.479 176 F N -0.680 119.309 119.950 0.065 0.000 2.653 176 F HA 0.336 4.863 4.527 -0.000 0.000 0.288 176 F C 0.681 176.516 175.800 0.058 0.000 1.121 176 F CA -0.554 57.482 58.000 0.060 0.000 1.384 176 F CB -0.253 38.785 39.000 0.064 0.000 1.115 176 F HN -0.093 nan 8.300 nan 0.000 0.599 177 L N 2.182 123.571 121.223 0.276 0.000 2.490 177 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 177 L C 0.717 177.636 176.870 0.082 0.000 1.201 177 L CA 0.237 55.177 54.840 0.166 0.000 0.869 177 L CB 0.305 42.481 42.059 0.196 0.000 1.123 177 L HN 0.098 nan 8.230 nan 0.000 0.484 178 R N 1.657 122.169 120.500 0.020 0.000 2.705 178 R HA 0.736 5.076 4.340 -0.000 0.000 0.246 178 R C -0.488 175.795 176.300 -0.028 0.000 1.142 178 R CA -0.848 55.248 56.100 -0.008 0.000 1.114 178 R CB 1.361 31.639 30.300 -0.037 0.000 1.256 178 R HN 0.714 nan 8.270 nan 0.000 0.536 179 A N 0.126 122.927 122.820 -0.032 0.000 2.292 179 A HA 0.629 4.949 4.320 -0.000 0.000 0.319 179 A C 0.326 177.864 177.584 -0.078 0.000 1.206 179 A CA 0.380 52.390 52.037 -0.044 0.000 0.835 179 A CB 0.824 19.811 19.000 -0.021 0.000 1.164 179 A HN 0.827 nan 8.150 nan 0.000 0.505 180 G N 1.341 110.072 108.800 -0.115 0.000 2.601 180 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.224 180 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.224 180 G C -0.107 174.667 174.900 -0.209 0.000 1.171 180 G CA -0.042 44.977 45.100 -0.135 0.000 1.009 180 G HN 0.914 nan 8.290 nan 0.000 0.589 181 E N 1.786 121.877 120.200 -0.182 0.000 2.366 181 E HA 0.315 4.665 4.350 -0.000 0.000 0.266 181 E C -0.215 176.215 176.600 -0.285 0.000 1.015 181 E CA 0.186 56.451 56.400 -0.225 0.000 0.906 181 E CB 0.120 29.736 29.700 -0.140 0.000 0.979 181 E HN 0.388 nan 8.360 nan 0.000 0.443 182 N N 2.937 121.352 118.700 -0.476 0.000 2.242 182 N HA 0.278 5.018 4.740 -0.000 0.000 0.292 182 N C -1.114 174.202 175.510 -0.323 0.000 1.125 182 N CA -0.652 52.113 53.050 -0.475 0.000 0.783 182 N CB 2.193 40.247 38.487 -0.721 0.000 1.558 182 N HN 0.300 nan 8.380 nan 0.000 0.472 183 R N 2.508 122.967 120.500 -0.068 0.000 2.409 183 R HA 0.405 4.745 4.340 -0.000 0.000 0.313 183 R C -1.174 175.218 176.300 0.153 0.000 0.953 183 R CA -0.513 55.623 56.100 0.060 0.000 0.849 183 R CB 0.835 31.126 30.300 -0.015 0.000 1.171 183 R HN 0.527 nan 8.270 nan 0.000 0.458 184 L N 2.980 124.352 121.223 0.250 0.000 2.349 184 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 184 L C 0.072 177.035 176.870 0.154 0.000 1.115 184 L CA -0.226 54.740 54.840 0.211 0.000 0.820 184 L CB 1.677 43.837 42.059 0.168 0.000 1.135 184 L HN 0.739 nan 8.230 nan 0.000 0.445 185 A N 3.814 126.730 122.820 0.159 0.000 2.745 185 A HA 0.606 4.926 4.320 -0.000 0.000 0.301 185 A C -0.877 176.935 177.584 0.380 0.000 1.188 185 A CA -0.472 51.594 52.037 0.047 0.000 0.746 185 A CB 0.670 19.246 19.000 -0.706 0.000 1.207 185 A HN 0.346 nan 8.150 nan 0.000 0.432 186 V N 2.091 122.399 119.914 0.656 0.000 2.567 186 V HA 0.602 4.722 4.120 -0.000 0.000 0.289 186 V C 0.315 176.918 176.094 0.849 0.000 1.049 186 V CA -0.328 62.372 62.300 0.667 0.000 0.969 186 V CB 1.420 33.510 31.823 0.445 0.000 0.995 186 V HN 0.915 nan 8.190 nan 0.000 0.471 187 M N 5.575 125.621 119.600 0.743 0.000 1.987 187 M HA 0.512 4.992 4.480 -0.000 0.000 0.298 187 M C -1.276 175.282 176.300 0.430 0.000 0.892 187 M CA -0.389 55.242 55.300 0.551 0.000 0.885 187 M CB 1.091 34.051 32.600 0.601 0.000 1.469 187 M HN 0.461 nan 8.290 nan 0.000 0.389 188 V N 4.706 124.840 119.914 0.366 0.000 2.614 188 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 188 V C 0.161 176.425 176.094 0.282 0.000 1.049 188 V CA -0.440 62.064 62.300 0.341 0.000 1.038 188 V CB 0.926 32.950 31.823 0.334 0.000 0.980 188 V HN 0.781 nan 8.190 nan 0.000 0.481 189 L N 4.288 125.632 121.223 0.203 0.000 2.329 189 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 189 L C 1.275 178.159 176.870 0.023 0.000 1.014 189 L CA -0.622 54.253 54.840 0.058 0.000 0.814 189 L CB 2.129 44.163 42.059 -0.041 0.000 1.257 189 L HN 0.674 nan 8.230 nan 0.000 0.424 190 R N 2.149 122.579 120.500 -0.116 0.000 2.060 190 R HA -0.000 4.340 4.340 -0.000 0.000 0.225 190 R C -0.292 175.740 176.300 -0.446 0.000 1.155 190 R CA 1.293 57.096 56.100 -0.495 0.000 0.930 190 R CB 0.077 29.827 30.300 -0.917 0.000 0.829 190 R HN 0.503 nan 8.270 nan 0.000 0.433 191 W N 0.668 122.022 121.300 0.090 0.000 2.313 191 W HA 0.285 4.945 4.660 -0.000 0.000 0.328 191 W C 0.136 176.755 176.519 0.167 0.000 1.197 191 W CA -0.643 56.758 57.345 0.094 0.000 1.235 191 W CB 1.108 30.620 29.460 0.085 0.000 1.158 191 W HN 0.119 nan 8.180 nan 0.000 0.578 192 S N -0.967 115.004 115.700 0.451 0.000 2.587 192 S HA 0.153 4.623 4.470 -0.000 0.000 0.269 192 S C 0.125 174.969 174.600 0.406 0.000 1.154 192 S CA -0.477 57.992 58.200 0.447 0.000 0.824 192 S CB 1.130 64.566 63.200 0.393 0.000 1.118 192 S HN 0.664 nan 8.310 nan 0.000 0.462 193 D N 1.362 122.009 120.400 0.412 0.000 2.172 193 D HA -0.060 4.580 4.640 -0.000 0.000 0.196 193 D C 1.897 178.494 176.300 0.495 0.000 0.999 193 D CA 1.742 56.018 54.000 0.459 0.000 0.856 193 D CB -0.899 40.039 40.800 0.231 0.000 0.934 193 D HN 0.772 nan 8.370 nan 0.000 0.453 194 G N -0.041 108.968 108.800 0.348 0.000 2.475 194 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 194 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 194 G C 1.745 176.820 174.900 0.292 0.000 1.125 194 G CA 1.021 46.301 45.100 0.300 0.000 0.755 194 G HN 0.356 nan 8.290 nan 0.000 0.565 195 S N 0.145 116.003 115.700 0.264 0.000 2.387 195 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 195 S C 1.952 176.631 174.600 0.132 0.000 1.035 195 S CA 1.180 59.495 58.200 0.193 0.000 1.014 195 S CB -0.461 62.858 63.200 0.199 0.000 0.836 195 S HN 0.544 nan 8.310 nan 0.000 0.466 196 Y N 1.189 121.574 120.300 0.142 0.000 2.483 196 Y HA 0.053 4.603 4.550 -0.000 0.000 0.291 196 Y C 1.388 177.358 175.900 0.118 0.000 1.143 196 Y CA 0.576 58.680 58.100 0.006 0.000 1.289 196 Y CB -0.372 37.983 38.460 -0.176 0.000 0.983 196 Y HN 0.209 nan 8.280 nan 0.000 0.556 197 L N -0.230 121.173 121.223 0.299 0.000 2.965 197 L HA 0.231 4.571 4.340 -0.000 0.000 0.254 197 L C 0.049 177.045 176.870 0.211 0.000 1.220 197 L CA 0.209 55.183 54.840 0.224 0.000 1.023 197 L CB 0.093 42.280 42.059 0.214 0.000 1.355 197 L HN 0.119 nan 8.230 nan 0.000 0.545 198 E N -0.373 119.967 120.200 0.233 0.000 3.306 198 E HA 0.059 4.409 4.350 -0.000 0.000 0.197 198 E C -0.421 176.274 176.600 0.159 0.000 0.980 198 E CA -0.059 56.461 56.400 0.200 0.000 1.259 198 E CB 0.623 30.441 29.700 0.196 0.000 1.112 198 E HN 0.076 nan 8.360 nan 0.000 0.458 199 D N 1.352 121.806 120.400 0.089 0.000 2.400 199 D HA 0.008 4.648 4.640 -0.000 0.000 0.243 199 D C -0.003 176.236 176.300 -0.103 0.000 1.184 199 D CA 0.165 54.090 54.000 -0.125 0.000 0.853 199 D CB 0.099 40.594 40.800 -0.507 0.000 0.944 199 D HN 0.081 nan 8.370 nan 0.000 0.501 200 Q N 0.329 120.150 119.800 0.034 0.000 2.432 200 Q HA 0.079 4.419 4.340 -0.000 0.000 0.264 200 Q C -0.196 175.828 176.000 0.040 0.000 1.035 200 Q CA 0.241 56.097 55.803 0.089 0.000 0.908 200 Q CB 0.577 29.509 28.738 0.323 0.000 1.280 200 Q HN 0.072 nan 8.270 nan 0.000 0.455 201 D N 2.477 122.912 120.400 0.059 0.000 2.416 201 D HA 0.289 4.929 4.640 -0.000 0.000 0.240 201 D C -0.870 175.480 176.300 0.084 0.000 1.250 201 D CA 0.143 54.127 54.000 -0.027 0.000 0.967 201 D CB -0.294 40.494 40.800 -0.020 0.000 1.059 201 D HN 0.421 nan 8.370 nan 0.000 0.512 202 M N 0.753 120.329 119.600 -0.041 0.000 3.069 202 M HA 0.345 4.825 4.480 -0.000 0.000 0.274 202 M C -1.419 174.910 176.300 0.049 0.000 1.146 202 M CA -1.201 54.123 55.300 0.041 0.000 0.807 202 M CB 0.843 33.508 32.600 0.109 0.000 1.621 202 M HN -0.042 nan 8.290 nan 0.000 0.521 203 W N 1.957 123.330 121.300 0.122 0.000 2.223 203 W HA 0.291 4.951 4.660 -0.000 0.000 0.334 203 W C 0.475 176.999 176.519 0.008 0.000 1.334 203 W CA -0.038 57.363 57.345 0.094 0.000 1.246 203 W CB 0.417 29.894 29.460 0.029 0.000 1.184 203 W HN 0.305 nan 8.180 nan 0.000 0.563 204 R N 5.193 125.874 120.500 0.302 0.000 3.235 204 R HA 0.205 4.545 4.340 -0.000 0.000 0.232 204 R C 0.128 176.483 176.300 0.092 0.000 1.475 204 R CA 0.035 56.250 56.100 0.192 0.000 1.405 204 R CB -0.602 29.841 30.300 0.238 0.000 1.266 204 R HN 0.563 nan 8.270 nan 0.000 0.650 205 M N 0.111 119.675 119.600 -0.061 0.000 2.252 205 M HA 0.301 4.781 4.480 -0.000 0.000 0.208 205 M C 0.524 176.544 176.300 -0.467 0.000 1.006 205 M CA -0.248 54.884 55.300 -0.280 0.000 1.596 205 M CB 0.566 32.976 32.600 -0.316 0.000 1.113 205 M HN 0.483 nan 8.290 nan 0.000 0.799 206 S N -1.771 113.538 115.700 -0.651 0.000 2.718 206 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 206 S C -0.675 173.492 174.600 -0.721 0.000 0.999 206 S CA -0.473 57.277 58.200 -0.750 0.000 0.899 206 S CB 0.435 63.056 63.200 -0.964 0.000 1.148 206 S HN 1.642 nan 8.310 nan 0.000 0.463 207 G N 0.382 108.961 108.800 -0.368 0.000 2.409 207 G HA2 0.121 4.081 3.960 -0.000 0.000 0.421 207 G HA3 0.121 4.081 3.960 -0.000 0.000 0.421 207 G C -0.898 174.017 174.900 0.026 0.000 1.259 207 G CA -0.530 44.584 45.100 0.023 0.000 1.011 207 G HN 1.573 nan 8.290 nan 0.000 0.497 208 I N 2.077 122.536 120.570 -0.186 0.000 2.227 208 I HA 0.230 4.400 4.170 -0.000 0.000 0.297 208 I C 1.306 177.354 176.117 -0.115 0.000 1.173 208 I CA -0.147 60.998 61.300 -0.258 0.000 1.356 208 I CB -0.488 37.179 38.000 -0.554 0.000 1.485 208 I HN 0.474 nan 8.210 nan 0.000 0.604 209 F N 3.191 123.022 119.950 -0.198 0.000 2.797 209 F HA 0.381 4.908 4.527 -0.000 0.000 0.302 209 F C 0.650 176.386 175.800 -0.106 0.000 1.130 209 F CA -0.696 57.214 58.000 -0.151 0.000 1.387 209 F CB -0.321 38.596 39.000 -0.139 0.000 1.107 209 F HN 0.131 nan 8.300 nan 0.000 0.577 210 R N 0.402 120.555 120.500 -0.579 0.000 2.888 210 R HA 0.281 4.621 4.340 -0.000 0.000 0.266 210 R C -0.965 175.164 176.300 -0.285 0.000 1.020 210 R CA -1.192 54.653 56.100 -0.425 0.000 0.963 210 R CB 0.844 30.854 30.300 -0.483 0.000 1.197 210 R HN -0.017 nan 8.270 nan 0.000 0.481 211 D N 0.683 120.972 120.400 -0.184 0.000 2.548 211 D HA 0.053 4.693 4.640 -0.000 0.000 0.231 211 D C -0.432 175.720 176.300 -0.245 0.000 1.142 211 D CA 0.514 54.417 54.000 -0.161 0.000 0.866 211 D CB 0.527 41.276 40.800 -0.085 0.000 1.190 211 D HN -0.011 nan 8.370 nan 0.000 0.469 212 V N 1.763 121.521 119.914 -0.259 0.000 2.513 212 V HA 0.619 4.739 4.120 -0.000 0.000 0.299 212 V C -0.154 175.797 176.094 -0.238 0.000 1.035 212 V CA -0.360 61.703 62.300 -0.395 0.000 0.889 212 V CB 1.699 33.237 31.823 -0.475 0.000 0.988 212 V HN 0.757 nan 8.190 nan 0.000 0.440 213 S N 4.784 120.328 115.700 -0.260 0.000 2.607 213 S HA 0.739 5.209 4.470 -0.000 0.000 0.273 213 S C -1.210 173.364 174.600 -0.044 0.000 1.148 213 S CA -0.831 57.307 58.200 -0.104 0.000 0.833 213 S CB 1.884 65.055 63.200 -0.048 0.000 1.130 213 S HN 0.459 nan 8.310 nan 0.000 0.470 214 L N 1.824 123.083 121.223 0.061 0.000 2.362 214 L HA 0.633 4.973 4.340 -0.000 0.000 0.275 214 L C -1.680 175.330 176.870 0.233 0.000 0.998 214 L CA -0.901 54.050 54.840 0.185 0.000 0.820 214 L CB 1.749 43.982 42.059 0.290 0.000 1.270 214 L HN 0.563 nan 8.230 nan 0.000 0.415 215 L N 3.408 124.734 121.223 0.171 0.000 2.376 215 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 215 L C -0.765 176.056 176.870 -0.082 0.000 0.987 215 L CA -0.370 54.503 54.840 0.055 0.000 0.828 215 L CB 1.399 43.493 42.059 0.059 0.000 1.249 215 L HN 0.408 nan 8.230 nan 0.000 0.409 216 H N 4.915 123.693 119.070 -0.487 0.000 2.820 216 H HA 0.445 5.001 4.556 -0.000 0.000 0.278 216 H C -0.792 174.289 175.328 -0.411 0.000 1.142 216 H CA 0.031 55.651 56.048 -0.713 0.000 1.346 216 H CB 0.344 29.182 29.762 -1.540 0.000 1.438 216 H HN 0.344 nan 8.280 nan 0.000 0.473 217 K N 5.766 125.802 120.400 -0.607 0.000 2.156 217 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 217 K C -2.718 173.576 176.600 -0.510 0.000 0.950 217 K CA -2.157 53.863 56.287 -0.446 0.000 0.849 217 K CB 1.620 33.949 32.500 -0.285 0.000 1.100 217 K HN 0.472 nan 8.250 nan 0.000 0.434 218 P HA 0.094 nan 4.420 nan 0.000 0.274 218 P C 0.442 177.620 177.300 -0.204 0.000 1.231 218 P CA -0.101 62.851 63.100 -0.246 0.000 0.790 218 P CB 0.411 32.023 31.700 -0.147 0.000 0.951 219 T N -1.677 112.786 114.554 -0.151 0.000 2.833 219 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 219 T C 0.626 175.257 174.700 -0.115 0.000 1.054 219 T CA 1.422 63.451 62.100 -0.119 0.000 1.135 219 T CB -0.766 68.055 68.868 -0.079 0.000 0.869 219 T HN 0.363 nan 8.240 nan 0.000 0.466 220 T N 3.512 117.999 114.554 -0.111 0.000 2.947 220 T HA 0.408 4.758 4.350 -0.000 0.000 0.337 220 T C -0.226 174.397 174.700 -0.129 0.000 1.139 220 T CA -0.830 61.197 62.100 -0.122 0.000 0.992 220 T CB 0.635 69.441 68.868 -0.104 0.000 1.043 220 T HN 0.536 nan 8.240 nan 0.000 0.498 221 Q N 2.230 121.938 119.800 -0.153 0.000 2.587 221 Q HA 0.677 5.017 4.340 -0.000 0.000 0.293 221 Q C -1.007 174.892 176.000 -0.169 0.000 1.083 221 Q CA -1.234 54.465 55.803 -0.172 0.000 0.792 221 Q CB 1.544 30.149 28.738 -0.221 0.000 1.484 221 Q HN 0.375 nan 8.270 nan 0.000 0.446 222 I N 2.153 122.598 120.570 -0.208 0.000 2.352 222 I HA 0.032 4.202 4.170 -0.000 0.000 0.290 222 I C 0.578 176.522 176.117 -0.289 0.000 1.036 222 I CA 0.096 61.287 61.300 -0.181 0.000 1.336 222 I CB 1.338 39.196 38.000 -0.238 0.000 1.407 222 I HN 0.863 nan 8.210 nan 0.000 0.497 223 S N 2.482 118.123 115.700 -0.097 0.000 2.559 223 S HA 0.303 4.773 4.470 -0.000 0.000 0.226 223 S C -0.030 174.737 174.600 0.278 0.000 1.000 223 S CA -0.372 57.816 58.200 -0.021 0.000 0.948 223 S CB 0.217 63.405 63.200 -0.019 0.000 0.870 223 S HN 0.685 nan 8.310 nan 0.000 0.497 224 D N -0.058 120.529 120.400 0.311 0.000 2.751 224 D HA 0.486 5.126 4.640 -0.000 0.000 0.236 224 D C -1.859 174.635 176.300 0.322 0.000 1.196 224 D CA -0.552 53.667 54.000 0.365 0.000 0.741 224 D CB 1.344 42.258 40.800 0.190 0.000 1.474 224 D HN 0.175 nan 8.370 nan 0.000 0.452 225 F N -0.345 119.632 119.950 0.045 0.000 2.650 225 F HA 0.631 5.158 4.527 -0.000 0.000 0.310 225 F C -1.466 174.379 175.800 0.074 0.000 1.112 225 F CA -0.760 57.191 58.000 -0.082 0.000 0.986 225 F CB 0.987 40.002 39.000 0.024 0.000 1.285 225 F HN 0.292 nan 8.300 nan 0.000 0.440 226 H N 0.894 119.979 119.070 0.025 0.000 2.747 226 H HA 0.865 5.421 4.556 -0.000 0.000 0.371 226 H C -1.234 174.098 175.328 0.006 0.000 1.161 226 H CA -1.562 54.437 56.048 -0.081 0.000 1.167 226 H CB 2.765 32.488 29.762 -0.064 0.000 1.732 226 H HN 0.620 nan 8.280 nan 0.000 0.544 227 V N 0.875 120.850 119.914 0.100 0.000 2.960 227 V HA 0.848 4.968 4.120 -0.000 0.000 0.315 227 V C -0.518 175.564 176.094 -0.019 0.000 1.087 227 V CA -0.657 61.669 62.300 0.042 0.000 0.982 227 V CB 1.770 33.608 31.823 0.024 0.000 1.039 227 V HN 0.981 nan 8.190 nan 0.000 0.437 228 A N 1.467 124.253 122.820 -0.056 0.000 2.589 228 A HA 0.840 5.160 4.320 -0.000 0.000 0.296 228 A C -0.543 176.968 177.584 -0.121 0.000 1.062 228 A CA -0.255 51.739 52.037 -0.072 0.000 0.686 228 A CB 2.028 21.007 19.000 -0.036 0.000 1.282 228 A HN 1.012 nan 8.150 nan 0.000 0.404 229 T N -0.312 114.166 114.554 -0.127 0.000 2.856 229 T HA 0.838 5.188 4.350 -0.000 0.000 0.283 229 T C -0.440 174.064 174.700 -0.326 0.000 1.008 229 T CA -0.708 61.255 62.100 -0.229 0.000 0.997 229 T CB 1.475 70.228 68.868 -0.191 0.000 0.992 229 T HN 0.719 nan 8.240 nan 0.000 0.454 230 R N 1.307 121.486 120.500 -0.535 0.000 2.686 230 R HA 0.695 5.035 4.340 -0.000 0.000 0.283 230 R C -1.327 174.495 176.300 -0.797 0.000 0.978 230 R CA -0.710 55.103 56.100 -0.479 0.000 0.897 230 R CB 1.703 31.882 30.300 -0.202 0.000 1.192 230 R HN 0.577 nan 8.270 nan 0.000 0.457 231 F N 0.599 120.514 119.950 -0.058 0.000 2.598 231 F HA 0.414 4.941 4.527 -0.000 0.000 0.327 231 F C 0.596 176.231 175.800 -0.275 0.000 1.057 231 F CA -1.216 56.667 58.000 -0.194 0.000 0.957 231 F CB 0.868 39.591 39.000 -0.461 0.000 1.278 231 F HN 0.481 nan 8.300 nan 0.000 0.484 232 N N -0.055 118.586 118.700 -0.098 0.000 2.364 232 N HA 0.072 4.811 4.740 -0.000 0.000 0.264 232 N C 0.551 175.925 175.510 -0.226 0.000 1.263 232 N CA -0.268 52.712 53.050 -0.117 0.000 0.959 232 N CB 0.032 38.481 38.487 -0.062 0.000 1.204 232 N HN 0.652 nan 8.380 nan 0.000 0.550 233 D N -1.353 118.965 120.400 -0.136 0.000 2.190 233 D HA -0.240 4.400 4.640 -0.000 0.000 0.200 233 D C 0.101 176.337 176.300 -0.107 0.000 0.992 233 D CA 1.518 55.449 54.000 -0.115 0.000 0.854 233 D CB -0.460 40.320 40.800 -0.034 0.000 0.936 233 D HN 0.750 nan 8.370 nan 0.000 0.462 234 D N -1.401 118.964 120.400 -0.058 0.000 2.623 234 D HA 0.012 4.652 4.640 -0.000 0.000 0.252 234 D C 0.024 176.492 176.300 0.280 0.000 1.294 234 D CA -0.980 53.102 54.000 0.136 0.000 0.824 234 D CB -1.069 39.800 40.800 0.116 0.000 1.070 234 D HN 0.121 nan 8.370 nan 0.000 0.487 235 F N 0.399 120.411 119.950 0.103 0.000 3.048 235 F HA -0.310 4.217 4.527 -0.000 0.000 0.287 235 F C 1.687 177.557 175.800 0.116 0.000 0.796 235 F CA 0.884 58.962 58.000 0.130 0.000 1.111 235 F CB -2.625 36.382 39.000 0.012 0.000 1.320 235 F HN 0.113 nan 8.300 nan 0.000 0.430 236 S N -0.695 115.101 115.700 0.160 0.000 2.436 236 S HA 0.059 4.529 4.470 -0.000 0.000 0.228 236 S C 0.767 175.407 174.600 0.067 0.000 1.014 236 S CA 0.618 58.880 58.200 0.103 0.000 0.950 236 S CB 0.137 63.374 63.200 0.061 0.000 0.784 236 S HN 0.486 nan 8.310 nan 0.000 0.504 237 R N 0.478 121.013 120.500 0.059 0.000 2.698 237 R HA 0.818 5.158 4.340 -0.000 0.000 0.275 237 R C -1.417 174.872 176.300 -0.018 0.000 1.001 237 R CA -0.648 55.453 56.100 0.001 0.000 0.896 237 R CB 1.739 32.022 30.300 -0.029 0.000 1.218 237 R HN 0.144 nan 8.270 nan 0.000 0.462 238 A N 1.357 124.117 122.820 -0.100 0.000 2.469 238 A HA 0.762 5.082 4.320 -0.000 0.000 0.299 238 A C -1.087 176.403 177.584 -0.157 0.000 1.098 238 A CA -0.779 51.132 52.037 -0.209 0.000 0.737 238 A CB 2.206 21.059 19.000 -0.244 0.000 1.312 238 A HN 0.348 nan 8.150 nan 0.000 0.414 239 V N 1.470 121.282 119.914 -0.170 0.000 2.483 239 V HA 0.456 4.576 4.120 -0.000 0.000 0.297 239 V C -0.856 175.201 176.094 -0.061 0.000 1.027 239 V CA -0.425 61.815 62.300 -0.100 0.000 0.855 239 V CB 1.234 32.990 31.823 -0.111 0.000 0.995 239 V HN 0.819 nan 8.190 nan 0.000 0.424 240 L N 4.052 125.269 121.223 -0.010 0.000 2.275 240 L HA 0.601 4.941 4.340 -0.000 0.000 0.288 240 L C -0.060 176.782 176.870 -0.047 0.000 1.046 240 L CA 0.379 55.206 54.840 -0.022 0.000 0.805 240 L CB 1.160 43.224 42.059 0.010 0.000 1.193 240 L HN 0.789 nan 8.230 nan 0.000 0.426 241 E N 3.934 124.101 120.200 -0.054 0.000 2.182 241 E HA 0.642 4.992 4.350 -0.000 0.000 0.258 241 E C -1.252 175.339 176.600 -0.015 0.000 0.879 241 E CA -0.639 55.738 56.400 -0.038 0.000 0.754 241 E CB 1.306 30.983 29.700 -0.038 0.000 1.162 241 E HN 0.779 nan 8.360 nan 0.000 0.419 242 A N 4.718 127.534 122.820 -0.008 0.000 2.273 242 A HA 0.260 4.580 4.320 -0.000 0.000 0.320 242 A C -0.356 177.232 177.584 0.006 0.000 1.358 242 A CA -0.613 51.440 52.037 0.027 0.000 0.910 242 A CB 0.449 19.460 19.000 0.019 0.000 1.159 242 A HN 0.701 nan 8.150 nan 0.000 0.526 243 E N 3.115 123.321 120.200 0.009 0.000 2.146 243 E HA 0.514 4.864 4.350 -0.000 0.000 0.282 243 E C -1.198 175.349 176.600 -0.089 0.000 0.989 243 E CA -0.478 55.886 56.400 -0.060 0.000 0.799 243 E CB 1.151 30.804 29.700 -0.080 0.000 1.088 243 E HN 0.310 nan 8.360 nan 0.000 0.397 244 V N 4.055 123.930 119.914 -0.066 0.000 2.630 244 V HA 0.342 4.462 4.120 -0.000 0.000 0.305 244 V C -0.335 175.776 176.094 0.028 0.000 1.046 244 V CA -0.769 61.527 62.300 -0.007 0.000 0.934 244 V CB 1.567 33.369 31.823 -0.035 0.000 1.003 244 V HN 0.780 nan 8.190 nan 0.000 0.451 245 Q N 3.632 123.475 119.800 0.072 0.000 2.323 245 Q HA 0.746 5.086 4.340 -0.000 0.000 0.271 245 Q C -0.850 175.200 176.000 0.083 0.000 1.048 245 Q CA -0.694 55.156 55.803 0.077 0.000 0.792 245 Q CB 2.580 31.295 28.738 -0.038 0.000 1.280 245 Q HN 0.849 nan 8.270 nan 0.000 0.441 246 M N -0.618 118.997 119.600 0.024 0.000 2.705 246 M HA 0.841 5.321 4.480 -0.000 0.000 0.311 246 M C -1.148 175.053 176.300 -0.165 0.000 1.214 246 M CA -0.360 54.860 55.300 -0.134 0.000 0.920 246 M CB 2.008 34.323 32.600 -0.476 0.000 1.687 246 M HN 0.580 nan 8.290 nan 0.000 0.481 247 C N 1.101 120.297 119.300 -0.173 0.000 2.712 247 C HA 0.991 5.451 4.460 -0.000 0.000 0.308 247 C C 0.563 175.455 174.990 -0.163 0.000 1.201 247 C CA 0.818 59.751 59.018 -0.142 0.000 1.554 247 C CB 1.078 28.756 27.740 -0.104 0.000 2.117 247 C HN 1.334 nan 8.230 nan 0.000 0.480 248 G N 2.653 111.371 108.800 -0.135 0.000 2.384 248 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.200 248 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.200 248 G C -0.831 173.989 174.900 -0.133 0.000 1.205 248 G CA -0.546 44.479 45.100 -0.125 0.000 1.116 248 G HN 0.778 nan 8.290 nan 0.000 0.547 249 E N 0.800 120.924 120.200 -0.127 0.000 1.963 249 E HA 0.423 4.773 4.350 -0.000 0.000 0.274 249 E C 0.521 177.014 176.600 -0.179 0.000 1.061 249 E CA -0.371 55.958 56.400 -0.119 0.000 0.847 249 E CB 0.520 30.177 29.700 -0.071 0.000 1.083 249 E HN 0.445 nan 8.360 nan 0.000 0.402 250 L N 4.986 126.089 121.223 -0.199 0.000 2.562 250 L HA 0.086 4.426 4.340 -0.000 0.000 0.271 250 L C -0.234 176.502 176.870 -0.223 0.000 1.167 250 L CA 0.638 55.324 54.840 -0.256 0.000 0.917 250 L CB -0.070 41.865 42.059 -0.207 0.000 1.187 250 L HN 0.432 nan 8.230 nan 0.000 0.482 251 R N 3.095 123.393 120.500 -0.336 0.000 2.574 251 R HA 0.144 4.484 4.340 -0.000 0.000 0.288 251 R C 0.241 176.256 176.300 -0.474 0.000 1.004 251 R CA -0.735 55.116 56.100 -0.414 0.000 0.895 251 R CB 1.675 31.620 30.300 -0.592 0.000 1.191 251 R HN 0.625 nan 8.270 nan 0.000 0.444 252 D N 2.129 122.407 120.400 -0.205 0.000 2.315 252 D HA -0.237 4.403 4.640 -0.000 0.000 0.211 252 D C 1.222 177.489 176.300 -0.054 0.000 0.977 252 D CA 1.553 55.505 54.000 -0.080 0.000 0.894 252 D CB -0.223 40.587 40.800 0.018 0.000 0.910 252 D HN 0.714 nan 8.370 nan 0.000 0.490 253 Y N -0.057 120.241 120.300 -0.004 0.000 2.519 253 Y HA 0.291 4.841 4.550 -0.000 0.000 0.287 253 Y C 1.077 176.957 175.900 -0.033 0.000 1.128 253 Y CA -0.791 57.300 58.100 -0.015 0.000 1.282 253 Y CB -0.815 37.638 38.460 -0.011 0.000 1.027 253 Y HN -0.198 nan 8.280 nan 0.000 0.551 254 L N 2.652 123.656 121.223 -0.365 0.000 2.559 254 L HA 0.122 4.462 4.340 -0.000 0.000 0.282 254 L C 0.118 176.935 176.870 -0.089 0.000 1.232 254 L CA 0.464 55.195 54.840 -0.182 0.000 0.885 254 L CB 0.068 42.035 42.059 -0.153 0.000 1.131 254 L HN 0.202 nan 8.230 nan 0.000 0.498 255 R N 1.619 121.978 120.500 -0.235 0.000 2.888 255 R HA 0.778 5.118 4.340 -0.000 0.000 0.264 255 R C -1.529 174.551 176.300 -0.368 0.000 1.045 255 R CA -0.734 55.109 56.100 -0.428 0.000 0.962 255 R CB 2.277 32.020 30.300 -0.928 0.000 1.210 255 R HN 0.281 nan 8.270 nan 0.000 0.479 256 V N 1.070 120.800 119.914 -0.308 0.000 2.524 256 V HA 0.444 4.564 4.120 -0.000 0.000 0.297 256 V C -1.003 175.078 176.094 -0.020 0.000 1.035 256 V CA -0.719 61.481 62.300 -0.167 0.000 0.867 256 V CB 2.037 33.636 31.823 -0.372 0.000 1.004 256 V HN 0.800 nan 8.190 nan 0.000 0.426 257 T N 4.136 118.764 114.554 0.123 0.000 2.794 257 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 257 T C -0.412 174.270 174.700 -0.031 0.000 0.987 257 T CA -0.539 61.594 62.100 0.054 0.000 0.993 257 T CB 1.890 70.791 68.868 0.055 0.000 0.939 257 T HN 0.304 nan 8.240 nan 0.000 0.449 258 V N 3.749 123.628 119.914 -0.060 0.000 2.409 258 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 258 V C -0.275 175.767 176.094 -0.086 0.000 1.017 258 V CA -0.773 61.484 62.300 -0.071 0.000 0.841 258 V CB 1.442 33.221 31.823 -0.073 0.000 1.003 258 V HN 1.076 nan 8.190 nan 0.000 0.426 259 S N 5.719 121.367 115.700 -0.086 0.000 2.503 259 S HA 0.801 5.271 4.470 -0.000 0.000 0.301 259 S C -0.858 173.649 174.600 -0.156 0.000 1.087 259 S CA -0.734 57.357 58.200 -0.181 0.000 1.042 259 S CB 2.339 65.378 63.200 -0.268 0.000 1.043 259 S HN 0.387 nan 8.310 nan 0.000 0.489 260 L N 2.177 123.262 121.223 -0.231 0.000 2.309 260 L HA 0.643 4.983 4.340 -0.000 0.000 0.282 260 L C -1.543 175.211 176.870 -0.193 0.000 1.036 260 L CA -0.511 54.270 54.840 -0.099 0.000 0.806 260 L CB 0.573 42.577 42.059 -0.092 0.000 1.220 260 L HN 0.854 nan 8.230 nan 0.000 0.429 261 W N 3.608 125.007 121.300 0.165 0.000 2.839 261 W HA 0.462 5.122 4.660 -0.000 0.000 0.334 261 W C -0.326 176.357 176.519 0.274 0.000 1.064 261 W CA -0.563 56.881 57.345 0.165 0.000 1.236 261 W CB 1.496 31.007 29.460 0.084 0.000 1.405 261 W HN 0.400 nan 8.180 nan 0.000 0.478 262 Q N 3.263 123.373 119.800 0.516 0.000 2.771 262 Q HA 0.449 4.789 4.340 -0.000 0.000 0.239 262 Q C 0.858 176.983 176.000 0.208 0.000 1.231 262 Q CA 0.885 56.864 55.803 0.293 0.000 1.056 262 Q CB -0.041 28.837 28.738 0.233 0.000 1.284 262 Q HN 0.767 nan 8.270 nan 0.000 0.558 263 G N 1.983 110.885 108.800 0.169 0.000 3.031 263 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.289 263 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.289 263 G C 0.623 175.527 174.900 0.007 0.000 1.393 263 G CA 0.339 45.472 45.100 0.055 0.000 1.010 263 G HN 0.554 nan 8.290 nan 0.000 0.579 264 E N 0.498 120.725 120.200 0.044 0.000 2.460 264 E HA 0.199 4.549 4.350 -0.000 0.000 0.200 264 E C 0.385 177.171 176.600 0.309 0.000 1.011 264 E CA 0.369 56.765 56.400 -0.007 0.000 0.912 264 E CB 0.470 30.156 29.700 -0.023 0.000 0.953 264 E HN 0.312 nan 8.360 nan 0.000 0.494 265 T N 1.632 116.411 114.554 0.375 0.000 2.780 265 T HA 0.057 4.407 4.350 -0.000 0.000 0.294 265 T C -0.304 174.683 174.700 0.480 0.000 0.949 265 T CA -0.055 62.269 62.100 0.374 0.000 1.074 265 T CB 1.102 70.096 68.868 0.211 0.000 0.910 265 T HN 0.032 nan 8.240 nan 0.000 0.501 266 Q N 3.744 123.587 119.800 0.071 0.000 2.279 266 Q HA 0.264 4.604 4.340 -0.000 0.000 0.256 266 Q C 0.162 175.988 176.000 -0.290 0.000 0.937 266 Q CA -0.468 54.920 55.803 -0.691 0.000 0.933 266 Q CB 1.007 28.689 28.738 -1.760 0.000 1.189 266 Q HN 0.514 nan 8.270 nan 0.000 0.417 267 V N 2.562 122.346 119.914 -0.217 0.000 2.992 267 V HA 0.318 4.438 4.120 -0.000 0.000 0.250 267 V C 0.340 176.338 176.094 -0.159 0.000 1.090 267 V CA 0.994 63.232 62.300 -0.103 0.000 1.101 267 V CB 0.194 32.017 31.823 -0.000 0.000 0.743 267 V HN 0.789 nan 8.190 nan 0.000 0.468 268 A N -1.345 121.338 122.820 -0.229 0.000 2.590 268 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 268 A C -0.797 176.653 177.584 -0.222 0.000 1.050 268 A CA -0.203 51.717 52.037 -0.195 0.000 0.697 268 A CB 1.599 20.512 19.000 -0.145 0.000 1.277 268 A HN -0.027 nan 8.150 nan 0.000 0.411 269 S N -1.094 114.501 115.700 -0.175 0.000 2.627 269 S HA 0.941 5.411 4.470 -0.000 0.000 0.283 269 S C -0.341 174.194 174.600 -0.107 0.000 1.127 269 S CA 0.049 58.156 58.200 -0.156 0.000 0.863 269 S CB 2.115 65.214 63.200 -0.168 0.000 1.121 269 S HN 2.188 nan 8.310 nan 0.000 0.479 270 G N 1.313 110.059 108.800 -0.090 0.000 2.715 270 G HA2 0.528 4.488 3.960 -0.000 0.000 0.297 270 G HA3 0.528 4.488 3.960 -0.000 0.000 0.297 270 G C -1.335 173.530 174.900 -0.059 0.000 1.386 270 G CA -0.396 44.660 45.100 -0.072 0.000 1.157 270 G HN 0.612 nan 8.290 nan 0.000 0.585 271 T N 0.102 114.629 114.554 -0.045 0.000 2.908 271 T HA 0.948 5.298 4.350 -0.000 0.000 0.290 271 T C -0.078 174.583 174.700 -0.065 0.000 1.034 271 T CA -0.001 62.082 62.100 -0.028 0.000 1.010 271 T CB 1.981 70.874 68.868 0.042 0.000 1.068 271 T HN 1.861 nan 8.240 nan 0.000 0.481 272 A N 2.536 125.291 122.820 -0.109 0.000 2.583 272 A HA 0.801 5.121 4.320 -0.000 0.000 0.292 272 A C -3.217 174.231 177.584 -0.226 0.000 1.045 272 A CA -1.377 50.574 52.037 -0.143 0.000 0.672 272 A CB 0.875 19.792 19.000 -0.139 0.000 1.283 272 A HN 0.545 nan 8.150 nan 0.000 0.419 273 P HA 0.618 nan 4.420 nan 0.000 0.282 273 P C -0.379 176.810 177.300 -0.185 0.000 1.259 273 P CA -0.307 62.705 63.100 -0.148 0.000 0.826 273 P CB 0.346 32.015 31.700 -0.052 0.000 1.064 274 F N 0.474 120.373 119.950 -0.085 0.000 2.587 274 F HA 0.366 4.893 4.527 -0.000 0.000 0.319 274 F C 1.736 177.512 175.800 -0.040 0.000 1.253 274 F CA 1.881 59.842 58.000 -0.064 0.000 1.345 274 F CB -0.619 38.337 39.000 -0.073 0.000 1.172 274 F HN 0.655 nan 8.300 nan 0.000 0.588 275 G N 0.307 109.226 108.800 0.198 0.000 3.322 275 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 275 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 275 G C -0.416 174.520 174.900 0.061 0.000 1.015 275 G CA -0.683 44.482 45.100 0.108 0.000 0.826 275 G HN 1.132 nan 8.290 nan 0.000 0.538 276 G N 0.703 109.552 108.800 0.081 0.000 2.971 276 G HA2 0.761 4.721 3.960 -0.000 0.000 0.235 276 G HA3 0.761 4.721 3.960 -0.000 0.000 0.235 276 G C -0.217 174.709 174.900 0.043 0.000 1.351 276 G CA -0.487 44.648 45.100 0.059 0.000 1.039 276 G HN 0.782 nan 8.290 nan 0.000 0.563 277 E N -0.663 119.561 120.200 0.040 0.000 2.398 277 E HA 0.268 4.618 4.350 -0.000 0.000 0.263 277 E C -0.080 176.529 176.600 0.016 0.000 1.046 277 E CA 0.007 56.421 56.400 0.023 0.000 0.908 277 E CB 1.110 30.822 29.700 0.020 0.000 0.963 277 E HN 0.243 nan 8.360 nan 0.000 0.431 278 I N 4.009 124.578 120.570 -0.002 0.000 2.598 278 I HA -0.058 4.112 4.170 -0.000 0.000 0.284 278 I C 1.436 177.543 176.117 -0.017 0.000 1.140 278 I CA 0.457 61.746 61.300 -0.019 0.000 1.420 278 I CB 0.358 38.345 38.000 -0.021 0.000 1.387 278 I HN 0.614 nan 8.210 nan 0.000 0.553 279 I N 3.198 123.747 120.570 -0.035 0.000 3.339 279 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 279 I C -0.030 176.067 176.117 -0.032 0.000 1.201 279 I CA 0.586 61.873 61.300 -0.021 0.000 1.434 279 I CB 0.277 38.276 38.000 -0.003 0.000 1.152 279 I HN 0.659 nan 8.210 nan 0.000 0.443 280 D N -0.265 120.103 120.400 -0.053 0.000 2.812 280 D HA 0.173 4.813 4.640 -0.000 0.000 0.318 280 D C 0.401 176.674 176.300 -0.044 0.000 1.234 280 D CA -0.441 53.533 54.000 -0.044 0.000 0.989 280 D CB 0.609 41.382 40.800 -0.045 0.000 1.442 280 D HN -0.158 nan 8.370 nan 0.000 0.537 281 E N -1.025 119.153 120.200 -0.037 0.000 2.273 281 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 281 E C 1.297 177.873 176.600 -0.041 0.000 1.002 281 E CA 1.107 57.487 56.400 -0.033 0.000 0.828 281 E CB -0.025 29.659 29.700 -0.026 0.000 0.747 281 E HN 0.219 nan 8.360 nan 0.000 0.491 282 R N -0.519 119.948 120.500 -0.056 0.000 2.334 282 R HA 0.303 4.643 4.340 -0.000 0.000 0.216 282 R C 0.754 177.007 176.300 -0.077 0.000 0.905 282 R CA 0.678 56.741 56.100 -0.062 0.000 1.064 282 R CB 0.750 31.009 30.300 -0.068 0.000 1.046 282 R HN 0.208 nan 8.270 nan 0.000 0.508 283 G N -0.710 108.041 108.800 -0.081 0.000 2.341 283 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.196 283 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.196 283 G C -0.223 174.602 174.900 -0.125 0.000 1.231 283 G CA -0.614 44.435 45.100 -0.085 0.000 1.155 283 G HN 0.430 nan 8.290 nan 0.000 0.529 284 G N -1.985 106.734 108.800 -0.136 0.000 3.243 284 G HA2 0.669 4.629 3.960 -0.000 0.000 0.248 284 G HA3 0.669 4.629 3.960 -0.000 0.000 0.248 284 G C -1.655 173.093 174.900 -0.254 0.000 1.267 284 G CA -0.656 44.338 45.100 -0.175 0.000 0.906 284 G HN 0.822 nan 8.290 nan 0.000 0.592 285 Y N 0.593 120.900 120.300 0.012 0.000 2.335 285 Y HA 0.517 5.067 4.550 -0.000 0.000 0.339 285 Y C 1.264 177.183 175.900 0.032 0.000 0.987 285 Y CA -0.038 58.074 58.100 0.019 0.000 1.140 285 Y CB 2.049 40.525 38.460 0.027 0.000 1.173 285 Y HN 0.545 nan 8.280 nan 0.000 0.486 286 A N 1.658 124.575 122.820 0.163 0.000 1.930 286 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 286 A C 1.480 179.144 177.584 0.132 0.000 1.176 286 A CA 1.461 53.563 52.037 0.108 0.000 0.632 286 A CB -0.315 18.707 19.000 0.037 0.000 0.819 286 A HN 0.822 nan 8.150 nan 0.000 0.445 287 D N -0.769 119.691 120.400 0.100 0.000 2.336 287 D HA 0.074 4.714 4.640 -0.000 0.000 0.229 287 D C 0.784 177.207 176.300 0.205 0.000 1.061 287 D CA 0.155 54.142 54.000 -0.022 0.000 0.875 287 D CB -0.054 40.706 40.800 -0.067 0.000 0.904 287 D HN 0.376 nan 8.370 nan 0.000 0.525 288 R N -0.764 119.925 120.500 0.315 0.000 2.939 288 R HA 0.763 5.103 4.340 -0.000 0.000 0.254 288 R C -1.351 175.064 176.300 0.192 0.000 1.123 288 R CA -1.233 55.018 56.100 0.251 0.000 1.020 288 R CB 2.850 33.178 30.300 0.046 0.000 1.206 288 R HN -0.017 nan 8.270 nan 0.000 0.491 289 V N -0.433 119.479 119.914 -0.005 0.000 3.036 289 V HA 0.358 4.478 4.120 -0.000 0.000 0.280 289 V C -1.848 174.176 176.094 -0.117 0.000 1.497 289 V CA -0.299 61.929 62.300 -0.120 0.000 0.982 289 V CB 2.478 34.099 31.823 -0.338 0.000 1.171 289 V HN 0.754 nan 8.190 nan 0.000 0.444 290 T N 7.462 121.963 114.554 -0.089 0.000 2.833 290 T HA 0.675 5.025 4.350 -0.000 0.000 0.297 290 T C -0.515 174.141 174.700 -0.074 0.000 1.015 290 T CA -0.202 61.856 62.100 -0.070 0.000 0.963 290 T CB 0.818 69.662 68.868 -0.039 0.000 0.955 290 T HN 0.612 nan 8.240 nan 0.000 0.449 291 L N 2.845 124.020 121.223 -0.079 0.000 2.454 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.256 291 L C 0.816 177.651 176.870 -0.059 0.000 1.136 291 L CA -0.560 54.234 54.840 -0.075 0.000 0.804 291 L CB 0.459 42.467 42.059 -0.085 0.000 1.181 291 L HN 0.404 nan 8.230 nan 0.000 0.469 292 R N 1.385 121.850 120.500 -0.059 0.000 2.713 292 R HA 0.459 4.798 4.340 -0.000 0.000 0.282 292 R C -1.535 174.730 176.300 -0.058 0.000 1.472 292 R CA -0.425 55.642 56.100 -0.054 0.000 1.060 292 R CB 0.823 31.093 30.300 -0.051 0.000 1.237 292 R HN 0.445 nan 8.270 nan 0.000 0.484 293 L N 1.827 123.015 121.223 -0.058 0.000 2.395 293 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 293 L C 0.282 177.115 176.870 -0.063 0.000 1.133 293 L CA -0.634 54.167 54.840 -0.065 0.000 0.812 293 L CB 0.628 42.647 42.059 -0.067 0.000 1.125 293 L HN 0.405 nan 8.230 nan 0.000 0.452 294 N N 1.317 119.971 118.700 -0.075 0.000 2.362 294 N HA 0.495 5.235 4.740 -0.000 0.000 0.298 294 N C -1.107 174.339 175.510 -0.107 0.000 1.048 294 N CA -0.295 52.706 53.050 -0.082 0.000 0.858 294 N CB 2.733 41.176 38.487 -0.073 0.000 1.218 294 N HN 0.199 nan 8.380 nan 0.000 0.488 295 V N 1.575 121.408 119.914 -0.136 0.000 2.525 295 V HA 0.293 4.413 4.120 -0.000 0.000 0.299 295 V C -0.050 175.939 176.094 -0.176 0.000 1.034 295 V CA -0.822 61.353 62.300 -0.209 0.000 0.863 295 V CB 2.044 33.635 31.823 -0.387 0.000 0.999 295 V HN 0.495 nan 8.190 nan 0.000 0.423 296 E N 4.342 124.466 120.200 -0.126 0.000 2.174 296 E HA 0.320 4.670 4.350 -0.000 0.000 0.282 296 E C -0.326 176.241 176.600 -0.055 0.000 0.992 296 E CA -0.328 56.028 56.400 -0.074 0.000 0.803 296 E CB 0.694 30.366 29.700 -0.047 0.000 1.090 296 E HN 0.740 nan 8.360 nan 0.000 0.396 297 N N 1.842 120.529 118.700 -0.021 0.000 2.727 297 N HA -0.112 4.628 4.740 -0.000 0.000 0.251 297 N C -2.504 173.002 175.510 -0.007 0.000 1.040 297 N CA 0.226 53.284 53.050 0.013 0.000 0.712 297 N CB -1.464 37.037 38.487 0.024 0.000 0.912 297 N HN 0.369 nan 8.380 nan 0.000 0.545 298 P HA 0.021 nan 4.420 nan 0.000 0.267 298 P C 0.258 177.578 177.300 0.034 0.000 1.201 298 P CA 0.378 63.352 63.100 -0.210 0.000 0.775 298 P CB 0.685 32.048 31.700 -0.562 0.000 0.854 299 K N 2.132 122.644 120.400 0.186 0.000 2.273 299 K HA 0.265 4.585 4.320 -0.000 0.000 0.287 299 K C 0.092 176.840 176.600 0.248 0.000 1.089 299 K CA -0.421 55.967 56.287 0.168 0.000 0.909 299 K CB 0.016 32.572 32.500 0.093 0.000 1.123 299 K HN 0.423 nan 8.250 nan 0.000 0.473 300 L N 2.859 124.169 121.223 0.145 0.000 2.485 300 L HA 0.056 4.396 4.340 -0.000 0.000 0.275 300 L C 0.141 177.083 176.870 0.119 0.000 1.207 300 L CA -0.012 54.904 54.840 0.127 0.000 0.855 300 L CB 0.166 42.146 42.059 -0.131 0.000 1.114 300 L HN 0.615 nan 8.230 nan 0.000 0.485 301 W N 4.093 125.399 121.300 0.010 0.000 2.520 301 W HA 0.495 5.155 4.660 -0.000 0.000 0.323 301 W C -0.311 176.148 176.519 -0.099 0.000 1.062 301 W CA -0.071 57.267 57.345 -0.012 0.000 1.215 301 W CB 1.446 30.953 29.460 0.079 0.000 1.340 301 W HN 0.629 nan 8.180 nan 0.000 0.516 302 S N 2.680 117.868 115.700 -0.853 0.000 2.672 302 S HA 0.634 5.104 4.470 -0.000 0.000 0.271 302 S C -0.015 173.789 174.600 -1.327 0.000 1.171 302 S CA -0.376 57.352 58.200 -0.787 0.000 0.817 302 S CB 1.167 64.102 63.200 -0.442 0.000 1.150 302 S HN 0.896 nan 8.310 nan 0.000 0.478 303 A N 0.073 122.351 122.820 -0.904 0.000 2.119 303 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 303 A C 1.659 178.897 177.584 -0.576 0.000 1.152 303 A CA 0.962 52.425 52.037 -0.957 0.000 0.708 303 A CB -0.795 17.432 19.000 -1.288 0.000 0.805 303 A HN 0.812 nan 8.150 nan 0.000 0.460 304 E N -0.198 119.789 120.200 -0.355 0.000 2.008 304 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 304 E C -0.100 176.344 176.600 -0.259 0.000 0.986 304 E CA 0.769 57.039 56.400 -0.217 0.000 0.807 304 E CB -0.085 29.629 29.700 0.024 0.000 0.766 304 E HN 0.574 nan 8.360 nan 0.000 0.450 305 I N 2.331 122.728 120.570 -0.287 0.000 2.464 305 I HA 0.182 4.352 4.170 -0.000 0.000 0.277 305 I C -2.401 173.481 176.117 -0.391 0.000 1.040 305 I CA -2.016 59.132 61.300 -0.253 0.000 1.153 305 I CB 1.696 39.599 38.000 -0.161 0.000 1.274 305 I HN -0.173 nan 8.210 nan 0.000 0.469 306 P HA 0.090 nan 4.420 nan 0.000 0.225 306 P C -0.508 176.741 177.300 -0.084 0.000 1.768 306 P CA -0.236 62.566 63.100 -0.497 0.000 0.943 306 P CB -0.326 31.205 31.700 -0.282 0.000 1.936 307 N N 1.421 120.093 118.700 -0.048 0.000 2.454 307 N HA 0.129 4.869 4.740 -0.000 0.000 0.260 307 N C 0.041 175.681 175.510 0.216 0.000 1.218 307 N CA 0.470 53.545 53.050 0.043 0.000 0.904 307 N CB 0.822 39.323 38.487 0.023 0.000 1.065 307 N HN 0.261 nan 8.380 nan 0.000 0.462 308 L N 2.235 123.508 121.223 0.084 0.000 2.371 308 L HA 0.472 4.812 4.340 -0.000 0.000 0.262 308 L C -1.048 175.764 176.870 -0.096 0.000 1.006 308 L CA -0.875 54.039 54.840 0.123 0.000 0.818 308 L CB 1.487 43.627 42.059 0.136 0.000 1.354 308 L HN 0.408 nan 8.230 nan 0.000 0.415 309 Y N 0.523 120.956 120.300 0.221 0.000 2.485 309 Y HA 0.557 5.107 4.550 -0.000 0.000 0.345 309 Y C -0.176 175.826 175.900 0.170 0.000 0.998 309 Y CA -0.663 57.572 58.100 0.224 0.000 1.059 309 Y CB 2.127 40.770 38.460 0.305 0.000 1.234 309 Y HN 0.417 nan 8.280 nan 0.000 0.461 310 R N 1.821 122.539 120.500 0.363 0.000 2.393 310 R HA 0.854 5.194 4.340 -0.000 0.000 0.310 310 R C -1.465 175.021 176.300 0.310 0.000 0.968 310 R CA -0.512 55.743 56.100 0.258 0.000 0.867 310 R CB 0.917 31.309 30.300 0.154 0.000 1.124 310 R HN 0.776 nan 8.270 nan 0.000 0.450 311 A N 4.085 127.033 122.820 0.213 0.000 2.318 311 A HA 0.606 4.926 4.320 -0.000 0.000 0.324 311 A C -1.072 176.582 177.584 0.117 0.000 1.170 311 A CA -0.695 51.440 52.037 0.164 0.000 0.810 311 A CB 1.513 20.581 19.000 0.113 0.000 1.198 311 A HN 0.495 nan 8.150 nan 0.000 0.484 312 V N 2.276 122.252 119.914 0.104 0.000 2.555 312 V HA 0.536 4.656 4.120 -0.000 0.000 0.302 312 V C -0.424 175.642 176.094 -0.048 0.000 1.038 312 V CA -0.611 61.706 62.300 0.028 0.000 0.887 312 V CB 1.654 33.519 31.823 0.069 0.000 0.991 312 V HN 0.606 nan 8.190 nan 0.000 0.434 313 V N 4.415 124.255 119.914 -0.122 0.000 2.349 313 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 313 V C -0.190 175.841 176.094 -0.105 0.000 1.014 313 V CA -0.585 61.612 62.300 -0.171 0.000 0.826 313 V CB 1.164 32.755 31.823 -0.388 0.000 1.009 313 V HN 1.041 nan 8.190 nan 0.000 0.431 314 E N 4.800 124.977 120.200 -0.039 0.000 2.179 314 E HA 0.645 4.995 4.350 -0.000 0.000 0.275 314 E C -1.013 175.660 176.600 0.122 0.000 0.945 314 E CA -1.047 55.367 56.400 0.024 0.000 0.792 314 E CB 2.759 32.455 29.700 -0.005 0.000 1.125 314 E HN 0.400 nan 8.360 nan 0.000 0.397 315 L N 3.839 125.129 121.223 0.111 0.000 2.277 315 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 315 L C -1.004 175.984 176.870 0.196 0.000 1.028 315 L CA 0.051 54.969 54.840 0.131 0.000 0.835 315 L CB -0.256 41.843 42.059 0.066 0.000 1.215 315 L HN 0.781 nan 8.230 nan 0.000 0.425 316 H N 0.544 119.639 119.070 0.041 0.000 2.960 316 H HA 0.908 5.464 4.556 -0.000 0.000 0.303 316 H C -0.735 174.648 175.328 0.091 0.000 1.412 316 H CA -0.530 55.552 56.048 0.057 0.000 1.227 316 H CB 1.241 31.027 29.762 0.039 0.000 1.912 316 H HN 0.418 nan 8.280 nan 0.000 0.583 317 T N -2.407 112.221 114.554 0.123 0.000 2.918 317 T HA 0.537 4.887 4.350 -0.000 0.000 0.286 317 T C 1.188 175.970 174.700 0.137 0.000 1.026 317 T CA -0.514 61.683 62.100 0.162 0.000 1.031 317 T CB 1.572 70.606 68.868 0.277 0.000 1.046 317 T HN 0.947 nan 8.240 nan 0.000 0.479 318 A N 1.212 124.096 122.820 0.106 0.000 2.285 318 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 318 A C 1.481 179.137 177.584 0.119 0.000 1.188 318 A CA 1.769 53.864 52.037 0.096 0.000 0.707 318 A CB -1.235 17.809 19.000 0.073 0.000 0.771 318 A HN 1.028 nan 8.150 nan 0.000 0.488 319 D N -4.123 116.352 120.400 0.125 0.000 2.369 319 D HA 0.364 5.004 4.640 -0.000 0.000 0.211 319 D C 1.025 177.384 176.300 0.099 0.000 1.077 319 D CA 0.678 54.731 54.000 0.087 0.000 0.842 319 D CB -0.005 40.821 40.800 0.044 0.000 0.947 319 D HN 0.534 nan 8.370 nan 0.000 0.509 320 G N -0.325 108.580 108.800 0.175 0.000 2.131 320 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.223 320 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.223 320 G C 0.190 175.145 174.900 0.092 0.000 0.990 320 G CA 0.110 45.281 45.100 0.118 0.000 0.671 320 G HN 0.346 nan 8.290 nan 0.000 0.521 321 T N 1.267 115.901 114.554 0.134 0.000 2.723 321 T HA 0.499 4.849 4.350 -0.000 0.000 0.297 321 T C 0.588 175.371 174.700 0.139 0.000 0.925 321 T CA -0.220 61.943 62.100 0.104 0.000 1.030 321 T CB 1.306 70.224 68.868 0.083 0.000 0.905 321 T HN 0.439 nan 8.240 nan 0.000 0.502 322 L N 5.066 126.348 121.223 0.098 0.000 2.416 322 L HA 0.311 4.651 4.340 -0.000 0.000 0.272 322 L C 1.022 177.946 176.870 0.090 0.000 1.161 322 L CA 0.303 55.203 54.840 0.099 0.000 0.845 322 L CB 0.350 42.444 42.059 0.058 0.000 1.119 322 L HN 0.702 nan 8.230 nan 0.000 0.464 323 I N 2.177 122.802 120.570 0.091 0.000 3.790 323 I HA 0.244 4.414 4.170 -0.000 0.000 0.305 323 I C 0.322 176.455 176.117 0.027 0.000 1.253 323 I CA 0.188 61.521 61.300 0.054 0.000 1.355 323 I CB 0.186 38.213 38.000 0.044 0.000 1.137 323 I HN 0.744 nan 8.210 nan 0.000 0.435 324 E N 0.975 121.200 120.200 0.040 0.000 2.338 324 E HA 0.489 4.839 4.350 -0.000 0.000 0.277 324 E C -2.140 174.486 176.600 0.044 0.000 1.213 324 E CA -0.608 55.813 56.400 0.034 0.000 0.946 324 E CB 0.793 30.476 29.700 -0.029 0.000 1.223 324 E HN -0.008 nan 8.360 nan 0.000 0.412 325 A N 1.683 124.558 122.820 0.092 0.000 2.498 325 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 325 A C -1.238 176.469 177.584 0.206 0.000 1.075 325 A CA -0.632 51.462 52.037 0.094 0.000 0.714 325 A CB 2.074 21.119 19.000 0.076 0.000 1.299 325 A HN 0.464 nan 8.150 nan 0.000 0.407 326 E N -0.497 119.762 120.200 0.100 0.000 2.367 326 E HA 0.778 5.128 4.350 -0.000 0.000 0.273 326 E C -0.461 176.192 176.600 0.089 0.000 0.903 326 E CA -0.365 56.147 56.400 0.185 0.000 0.764 326 E CB 2.457 32.122 29.700 -0.057 0.000 1.252 326 E HN 1.080 nan 8.360 nan 0.000 0.446 327 A N 0.236 123.233 122.820 0.296 0.000 2.525 327 A HA 0.900 5.220 4.320 -0.000 0.000 0.291 327 A C -1.173 176.602 177.584 0.317 0.000 1.268 327 A CA -0.204 51.935 52.037 0.169 0.000 0.712 327 A CB 1.140 20.153 19.000 0.022 0.000 1.320 327 A HN 1.001 nan 8.150 nan 0.000 0.456 328 C N -0.631 118.808 119.300 0.232 0.000 3.268 328 C HA 0.559 5.019 4.460 -0.000 0.000 0.374 328 C C -1.880 173.195 174.990 0.142 0.000 1.126 328 C CA -1.097 58.048 59.018 0.212 0.000 1.162 328 C CB 0.405 28.305 27.740 0.267 0.000 1.503 328 C HN 0.857 nan 8.230 nan 0.000 0.538 329 D N 1.761 122.223 120.400 0.104 0.000 2.304 329 D HA 0.501 5.141 4.640 -0.000 0.000 0.250 329 D C -0.275 176.057 176.300 0.053 0.000 1.107 329 D CA 0.063 54.123 54.000 0.101 0.000 0.885 329 D CB 2.070 42.933 40.800 0.104 0.000 1.192 329 D HN 0.558 nan 8.370 nan 0.000 0.436 330 V N 0.910 120.880 119.914 0.093 0.000 2.604 330 V HA 0.647 4.767 4.120 -0.000 0.000 0.305 330 V C 0.509 176.632 176.094 0.048 0.000 1.043 330 V CA -0.759 61.541 62.300 -0.001 0.000 0.888 330 V CB 2.098 33.896 31.823 -0.040 0.000 0.995 330 V HN 0.696 nan 8.190 nan 0.000 0.429 331 G N 2.412 111.134 108.800 -0.129 0.000 2.513 331 G HA2 0.659 4.619 3.960 -0.000 0.000 0.317 331 G HA3 0.659 4.619 3.960 -0.000 0.000 0.317 331 G C -1.282 173.596 174.900 -0.037 0.000 1.277 331 G CA -0.459 44.639 45.100 -0.002 0.000 0.955 331 G HN 0.429 nan 8.290 nan 0.000 0.484 332 F N 1.974 122.125 119.950 0.335 0.000 2.377 332 F HA 0.484 5.011 4.527 -0.000 0.000 0.360 332 F C 0.942 176.977 175.800 0.392 0.000 1.147 332 F CA -0.444 57.822 58.000 0.444 0.000 1.170 332 F CB 0.820 40.137 39.000 0.529 0.000 1.339 332 F HN 0.406 nan 8.300 nan 0.000 0.552 333 R N 0.954 121.729 120.500 0.457 0.000 2.668 333 R HA 0.525 4.865 4.340 -0.000 0.000 0.272 333 R C -1.473 174.970 176.300 0.239 0.000 1.019 333 R CA -1.090 55.131 56.100 0.202 0.000 0.894 333 R CB 1.913 32.346 30.300 0.223 0.000 1.228 333 R HN 0.404 nan 8.270 nan 0.000 0.460 334 E N 2.374 122.618 120.200 0.072 0.000 2.165 334 E HA 0.377 4.727 4.350 -0.000 0.000 0.266 334 E C -1.208 175.456 176.600 0.107 0.000 0.889 334 E CA -0.918 55.608 56.400 0.210 0.000 0.756 334 E CB 1.893 31.802 29.700 0.348 0.000 1.131 334 E HN 0.456 nan 8.360 nan 0.000 0.411 335 V N 5.298 125.267 119.914 0.092 0.000 2.398 335 V HA 0.597 4.717 4.120 -0.000 0.000 0.286 335 V C 0.056 176.186 176.094 0.060 0.000 1.026 335 V CA -0.643 61.683 62.300 0.044 0.000 0.868 335 V CB 1.078 32.902 31.823 0.002 0.000 0.982 335 V HN 0.732 nan 8.190 nan 0.000 0.443 336 R N 4.245 124.776 120.500 0.052 0.000 2.629 336 R HA 0.656 4.996 4.340 -0.000 0.000 0.266 336 R C -2.185 174.139 176.300 0.039 0.000 1.051 336 R CA -0.840 55.294 56.100 0.056 0.000 0.895 336 R CB 1.855 32.204 30.300 0.082 0.000 1.246 336 R HN 0.609 nan 8.270 nan 0.000 0.459 337 I N 2.274 122.866 120.570 0.037 0.000 2.336 337 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 337 I C -0.521 175.615 176.117 0.031 0.000 0.991 337 I CA -0.258 61.058 61.300 0.027 0.000 1.227 337 I CB 1.674 39.690 38.000 0.026 0.000 1.366 337 I HN 0.677 nan 8.210 nan 0.000 0.466 338 E N 6.187 126.402 120.200 0.025 0.000 2.290 338 E HA 0.245 4.595 4.350 -0.000 0.000 0.274 338 E C -0.218 176.393 176.600 0.018 0.000 0.889 338 E CA -0.574 55.842 56.400 0.027 0.000 0.760 338 E CB 1.099 30.822 29.700 0.037 0.000 1.206 338 E HN 0.530 nan 8.360 nan 0.000 0.419 339 N N 2.870 121.581 118.700 0.018 0.000 2.714 339 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 339 N C 0.097 175.611 175.510 0.006 0.000 1.117 339 N CA 1.929 54.986 53.050 0.012 0.000 0.719 339 N CB -1.158 37.336 38.487 0.011 0.000 1.081 339 N HN 1.016 nan 8.380 nan 0.000 0.557 340 G N -0.891 107.912 108.800 0.005 0.000 2.291 340 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.271 340 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.271 340 G C -0.496 174.397 174.900 -0.012 0.000 1.099 340 G CA 0.276 45.374 45.100 -0.003 0.000 0.919 340 G HN 0.461 nan 8.290 nan 0.000 0.496 341 L N -0.188 121.029 121.223 -0.011 0.000 2.639 341 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 341 L C -0.095 176.764 176.870 -0.019 0.000 0.948 341 L CA -1.076 53.752 54.840 -0.020 0.000 0.912 341 L CB 1.834 43.885 42.059 -0.013 0.000 1.294 341 L HN 0.242 nan 8.230 nan 0.000 0.412 342 L N 5.399 126.599 121.223 -0.037 0.000 2.369 342 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 342 L C -0.892 175.957 176.870 -0.034 0.000 1.108 342 L CA 0.511 55.330 54.840 -0.035 0.000 0.852 342 L CB 0.369 42.394 42.059 -0.056 0.000 1.169 342 L HN 0.399 nan 8.230 nan 0.000 0.452 343 L N 5.661 126.878 121.223 -0.009 0.000 2.330 343 L HA 0.643 4.983 4.340 -0.000 0.000 0.271 343 L C -0.688 176.186 176.870 0.007 0.000 1.013 343 L CA -0.838 54.006 54.840 0.006 0.000 0.816 343 L CB 1.703 43.785 42.059 0.038 0.000 1.287 343 L HN 0.611 nan 8.230 nan 0.000 0.435 344 L N 2.589 123.826 121.223 0.024 0.000 2.441 344 L HA 0.491 4.831 4.340 -0.000 0.000 0.270 344 L C -0.492 176.402 176.870 0.040 0.000 0.973 344 L CA -0.158 54.697 54.840 0.024 0.000 0.842 344 L CB 1.173 43.227 42.059 -0.008 0.000 1.239 344 L HN 0.672 nan 8.230 nan 0.000 0.406 345 N N 3.878 122.497 118.700 -0.135 0.000 2.725 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.843 176.090 175.510 -0.437 0.000 1.103 345 N CA 1.517 54.258 53.050 -0.515 0.000 0.707 345 N CB -1.177 36.908 38.487 -0.671 0.000 1.043 345 N HN 1.207 nan 8.380 nan 0.000 0.553 346 G N -1.874 106.892 108.800 -0.056 0.000 2.284 346 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.230 346 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.230 346 G C -0.123 174.812 174.900 0.060 0.000 1.021 346 G CA 0.609 45.752 45.100 0.073 0.000 0.619 346 G HN 0.438 nan 8.290 nan 0.000 0.510 347 K N 1.504 121.941 120.400 0.062 0.000 2.123 347 K HA 0.540 4.860 4.320 -0.000 0.000 0.259 347 K C -2.961 173.637 176.600 -0.003 0.000 0.960 347 K CA -2.094 54.197 56.287 0.006 0.000 0.872 347 K CB 2.416 34.856 32.500 -0.099 0.000 1.079 347 K HN 0.153 nan 8.250 nan 0.000 0.440 348 P HA 0.181 nan 4.420 nan 0.000 0.280 348 P C 0.183 177.447 177.300 -0.060 0.000 1.300 348 P CA -0.284 62.793 63.100 -0.039 0.000 0.785 348 P CB 0.414 32.090 31.700 -0.039 0.000 0.874 349 L N 3.427 124.612 121.223 -0.063 0.000 2.489 349 L HA 0.058 4.398 4.340 -0.000 0.000 0.285 349 L C 0.795 177.613 176.870 -0.086 0.000 1.259 349 L CA 0.242 55.040 54.840 -0.070 0.000 0.828 349 L CB 0.051 42.036 42.059 -0.123 0.000 1.094 349 L HN 0.301 nan 8.230 nan 0.000 0.524 350 L N 3.036 124.225 121.223 -0.057 0.000 2.514 350 L HA 0.342 4.682 4.340 -0.000 0.000 0.257 350 L C -0.442 176.406 176.870 -0.036 0.000 1.101 350 L CA -0.158 54.632 54.840 -0.083 0.000 0.911 350 L CB 0.731 42.773 42.059 -0.028 0.000 1.162 350 L HN 0.234 nan 8.230 nan 0.000 0.477 351 I N 3.881 124.359 120.570 -0.154 0.000 2.574 351 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 351 I C 0.708 176.761 176.117 -0.106 0.000 1.131 351 I CA 0.494 61.691 61.300 -0.172 0.000 1.352 351 I CB -0.108 37.668 38.000 -0.373 0.000 1.431 351 I HN 0.509 nan 8.210 nan 0.000 0.543 352 R N 4.764 125.338 120.500 0.123 0.000 3.570 352 R HA 0.436 4.776 4.340 -0.000 0.000 0.233 352 R C 0.578 177.060 176.300 0.304 0.000 1.492 352 R CA -0.246 56.033 56.100 0.297 0.000 1.504 352 R CB 0.514 30.860 30.300 0.077 0.000 1.314 352 R HN 0.710 nan 8.270 nan 0.000 0.687 353 G N -0.014 108.864 108.800 0.130 0.000 2.537 353 G HA2 0.551 4.511 3.960 -0.000 0.000 0.308 353 G HA3 0.551 4.511 3.960 -0.000 0.000 0.308 353 G C -1.431 173.698 174.900 0.381 0.000 1.237 353 G CA -0.527 44.660 45.100 0.144 0.000 0.968 353 G HN 0.205 nan 8.290 nan 0.000 0.481 354 V N 0.383 120.444 119.914 0.246 0.000 2.735 354 V HA 0.513 4.633 4.120 -0.000 0.000 0.310 354 V C -0.500 175.676 176.094 0.136 0.000 1.061 354 V CA -1.226 61.150 62.300 0.126 0.000 0.913 354 V CB 1.841 33.422 31.823 -0.405 0.000 1.005 354 V HN 0.769 nan 8.190 nan 0.000 0.428 355 N N 4.364 123.132 118.700 0.113 0.000 2.482 355 N HA 0.368 5.108 4.740 -0.000 0.000 0.260 355 N C -0.568 174.795 175.510 -0.245 0.000 1.236 355 N CA -0.140 52.858 53.050 -0.087 0.000 0.938 355 N CB 0.985 39.438 38.487 -0.055 0.000 1.128 355 N HN 0.717 nan 8.380 nan 0.000 0.448 356 R N 1.518 121.829 120.500 -0.315 0.000 2.508 356 R HA 0.247 4.587 4.340 -0.000 0.000 0.283 356 R C -1.472 174.665 176.300 -0.272 0.000 1.120 356 R CA -0.546 55.401 56.100 -0.255 0.000 0.958 356 R CB 0.657 30.781 30.300 -0.293 0.000 1.215 356 R HN 0.609 nan 8.270 nan 0.000 0.427 357 H N 1.096 120.076 119.070 -0.150 0.000 2.517 357 H HA 0.230 4.786 4.556 -0.000 0.000 0.346 357 H C -0.392 174.966 175.328 0.051 0.000 1.222 357 H CA -0.308 55.737 56.048 -0.005 0.000 1.314 357 H CB 1.377 31.210 29.762 0.118 0.000 1.609 357 H HN 0.442 nan 8.280 nan 0.000 0.571 358 E N 1.625 122.031 120.200 0.343 0.000 1.861 358 E HA 0.068 4.418 4.350 -0.000 0.000 0.263 358 E C -0.805 175.965 176.600 0.283 0.000 1.137 358 E CA -0.086 56.434 56.400 0.202 0.000 0.944 358 E CB 0.066 29.873 29.700 0.179 0.000 1.092 358 E HN 0.393 nan 8.360 nan 0.000 0.420 359 H N 1.386 120.539 119.070 0.137 0.000 2.637 359 H HA 0.292 4.848 4.556 -0.000 0.000 0.363 359 H C -1.501 173.902 175.328 0.125 0.000 1.131 359 H CA -0.633 55.493 56.048 0.131 0.000 1.183 359 H CB 1.186 31.016 29.762 0.113 0.000 1.637 359 H HN 0.323 nan 8.280 nan 0.000 0.531 360 H N 6.415 125.096 119.070 -0.649 0.000 3.108 360 H HA 0.183 4.739 4.556 -0.000 0.000 0.329 360 H C -2.247 172.702 175.328 -0.631 0.000 0.978 360 H CA -2.130 53.614 56.048 -0.507 0.000 1.413 360 H CB 2.242 31.921 29.762 -0.139 0.000 1.670 360 H HN 0.542 nan 8.280 nan 0.000 0.512 361 P HA -0.160 nan 4.420 nan 0.000 0.217 361 P C 1.308 178.496 177.300 -0.187 0.000 1.151 361 P CA 1.011 63.886 63.100 -0.374 0.000 0.849 361 P CB 0.698 32.194 31.700 -0.340 0.000 0.787 362 L N -2.790 118.392 121.223 -0.068 0.000 2.408 362 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 362 L C 2.201 178.990 176.870 -0.135 0.000 1.081 362 L CA 0.853 55.625 54.840 -0.115 0.000 0.840 362 L CB -0.499 41.393 42.059 -0.278 0.000 1.002 362 L HN 0.012 nan 8.230 nan 0.000 0.468 363 H N -1.500 117.724 119.070 0.257 0.000 2.705 363 H HA 0.344 4.900 4.556 -0.000 0.000 0.269 363 H C 1.364 176.656 175.328 -0.060 0.000 0.998 363 H CA 0.125 56.117 56.048 -0.094 0.000 1.193 363 H CB 0.658 30.141 29.762 -0.465 0.000 1.485 363 H HN 0.311 nan 8.280 nan 0.000 0.521 364 G N 1.453 110.288 108.800 0.057 0.000 2.527 364 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.262 364 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.262 364 G C 0.440 175.391 174.900 0.085 0.000 1.153 364 G CA 0.140 45.240 45.100 -0.001 0.000 0.954 364 G HN 0.408 nan 8.290 nan 0.000 0.552 365 Q N -0.039 119.780 119.800 0.031 0.000 2.222 365 Q HA 0.455 4.795 4.340 -0.000 0.000 0.206 365 Q C 0.243 176.341 176.000 0.163 0.000 0.877 365 Q CA -0.059 55.782 55.803 0.064 0.000 0.958 365 Q CB 0.827 29.481 28.738 -0.139 0.000 1.075 365 Q HN 0.383 nan 8.270 nan 0.000 0.483 366 V N 2.058 122.052 119.914 0.133 0.000 2.385 366 V HA 0.215 4.335 4.120 -0.000 0.000 0.269 366 V C 0.266 176.386 176.094 0.044 0.000 1.043 366 V CA -0.195 62.170 62.300 0.109 0.000 0.906 366 V CB 0.848 32.678 31.823 0.011 0.000 0.995 366 V HN 0.319 nan 8.190 nan 0.000 0.467 367 M N 4.166 123.778 119.600 0.020 0.000 2.363 367 M HA 0.629 5.109 4.480 -0.000 0.000 0.280 367 M C -0.455 175.756 176.300 -0.149 0.000 1.182 367 M CA -0.434 54.830 55.300 -0.060 0.000 0.974 367 M CB 1.343 33.878 32.600 -0.108 0.000 1.452 367 M HN 0.946 nan 8.290 nan 0.000 0.507 368 D N -2.693 117.625 120.400 -0.138 0.000 2.720 368 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 368 D C -0.044 176.236 176.300 -0.034 0.000 1.218 368 D CA -0.662 53.272 54.000 -0.110 0.000 0.748 368 D CB 1.131 41.899 40.800 -0.054 0.000 1.387 368 D HN 0.599 nan 8.370 nan 0.000 0.438 369 E N 0.047 120.246 120.200 -0.002 0.000 2.094 369 E HA -0.389 3.961 4.350 -0.000 0.000 0.232 369 E C 1.433 178.088 176.600 0.092 0.000 1.055 369 E CA 2.288 58.727 56.400 0.064 0.000 0.923 369 E CB -0.110 29.640 29.700 0.084 0.000 0.815 369 E HN 0.567 nan 8.360 nan 0.000 0.502 370 Q N -0.625 119.229 119.800 0.090 0.000 1.992 370 Q HA -0.282 4.058 4.340 -0.000 0.000 0.216 370 Q C 2.310 178.381 176.000 0.118 0.000 1.047 370 Q CA 2.797 58.661 55.803 0.102 0.000 0.899 370 Q CB -1.004 27.794 28.738 0.099 0.000 1.021 370 Q HN 0.397 nan 8.270 nan 0.000 0.421 371 T N 1.487 116.120 114.554 0.132 0.000 2.680 371 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 371 T C 1.937 176.732 174.700 0.158 0.000 1.033 371 T CA 2.047 64.240 62.100 0.154 0.000 1.152 371 T CB -0.278 68.703 68.868 0.188 0.000 0.859 371 T HN 0.260 nan 8.240 nan 0.000 0.452 372 M N 0.570 120.266 119.600 0.161 0.000 2.091 372 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 372 M C 2.577 179.003 176.300 0.209 0.000 1.076 372 M CA 1.605 57.060 55.300 0.260 0.000 1.111 372 M CB -0.931 31.851 32.600 0.304 0.000 1.291 372 M HN 0.164 nan 8.290 nan 0.000 0.417 373 V N -0.059 119.932 119.914 0.129 0.000 2.250 373 V HA -0.372 3.748 4.120 -0.000 0.000 0.253 373 V C 2.259 178.356 176.094 0.005 0.000 1.065 373 V CA 2.503 64.814 62.300 0.019 0.000 1.039 373 V CB -1.572 30.294 31.823 0.072 0.000 0.647 373 V HN 0.585 nan 8.190 nan 0.000 0.446 374 Q N 0.084 119.933 119.800 0.083 0.000 2.065 374 Q HA -0.354 3.986 4.340 -0.000 0.000 0.213 374 Q C 2.120 178.210 176.000 0.150 0.000 1.012 374 Q CA 2.704 58.574 55.803 0.113 0.000 0.876 374 Q CB -0.313 28.506 28.738 0.136 0.000 0.954 374 Q HN 0.738 nan 8.270 nan 0.000 0.413 375 D N -0.120 120.396 120.400 0.193 0.000 2.092 375 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 375 D C 1.924 178.246 176.300 0.037 0.000 0.994 375 D CA 1.314 55.449 54.000 0.226 0.000 0.828 375 D CB -0.336 40.599 40.800 0.225 0.000 0.963 375 D HN 0.327 nan 8.370 nan 0.000 0.450 376 I N 0.753 121.305 120.570 -0.029 0.000 2.151 376 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 376 I C 2.481 178.492 176.117 -0.178 0.000 1.080 376 I CA 0.863 62.035 61.300 -0.212 0.000 1.339 376 I CB -0.220 37.523 38.000 -0.427 0.000 1.039 376 I HN 0.005 nan 8.210 nan 0.000 0.409 377 L N -0.193 120.959 121.223 -0.119 0.000 1.989 377 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 377 L C 2.569 179.542 176.870 0.173 0.000 1.071 377 L CA 1.520 56.386 54.840 0.044 0.000 0.749 377 L CB -0.924 41.179 42.059 0.074 0.000 0.890 377 L HN 0.274 nan 8.230 nan 0.000 0.431 378 L N -0.772 120.582 121.223 0.219 0.000 1.997 378 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 378 L C 2.786 179.880 176.870 0.373 0.000 1.074 378 L CA 1.609 56.661 54.840 0.354 0.000 0.763 378 L CB -0.691 41.681 42.059 0.523 0.000 0.890 378 L HN 0.332 nan 8.230 nan 0.000 0.434 379 M N -0.238 119.473 119.600 0.186 0.000 2.082 379 M HA -0.227 4.253 4.480 -0.000 0.000 0.258 379 M C 2.377 178.796 176.300 0.199 0.000 1.069 379 M CA 1.849 57.225 55.300 0.127 0.000 1.102 379 M CB -0.582 31.852 32.600 -0.275 0.000 1.336 379 M HN 0.194 nan 8.290 nan 0.000 0.404 380 K N 0.384 120.798 120.400 0.024 0.000 2.002 380 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 380 K C 2.003 178.632 176.600 0.048 0.000 1.048 380 K CA 1.559 57.725 56.287 -0.202 0.000 0.930 380 K CB -0.474 31.652 32.500 -0.623 0.000 0.714 380 K HN 0.503 nan 8.250 nan 0.000 0.438 381 Q N 0.720 120.753 119.800 0.389 0.000 2.135 381 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 381 Q C 1.312 177.623 176.000 0.519 0.000 0.981 381 Q CA 1.020 57.170 55.803 0.578 0.000 0.856 381 Q CB -0.103 28.932 28.738 0.495 0.000 0.902 381 Q HN 0.318 nan 8.270 nan 0.000 0.425 382 N N 0.794 119.729 118.700 0.391 0.000 2.413 382 N HA -0.012 4.728 4.740 -0.000 0.000 0.207 382 N C -0.564 174.963 175.510 0.029 0.000 1.206 382 N CA 0.023 53.250 53.050 0.295 0.000 0.832 382 N CB 0.262 39.000 38.487 0.418 0.000 1.037 382 N HN 0.193 nan 8.380 nan 0.000 0.467 383 N N -0.132 118.607 118.700 0.065 0.000 2.776 383 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 383 N C -1.253 174.059 175.510 -0.331 0.000 1.111 383 N CA 0.786 53.767 53.050 -0.114 0.000 0.711 383 N CB -1.717 36.608 38.487 -0.271 0.000 1.065 383 N HN 0.210 nan 8.380 nan 0.000 0.556 384 F N 0.266 120.224 119.950 0.013 0.000 2.422 384 F HA 0.374 4.901 4.527 -0.000 0.000 0.333 384 F C 1.802 177.580 175.800 -0.037 0.000 1.095 384 F CA -0.613 57.378 58.000 -0.014 0.000 1.038 384 F CB 1.028 39.998 39.000 -0.051 0.000 1.156 384 F HN -0.076 nan 8.300 nan 0.000 0.483 385 N N 0.635 119.451 118.700 0.194 0.000 2.428 385 N HA 0.367 5.107 4.740 -0.000 0.000 0.181 385 N C -0.197 175.335 175.510 0.036 0.000 1.028 385 N CA 0.211 53.312 53.050 0.084 0.000 0.877 385 N CB 0.397 39.009 38.487 0.209 0.000 1.064 385 N HN 0.626 nan 8.380 nan 0.000 0.434 386 A N 0.088 123.012 122.820 0.173 0.000 2.524 386 A HA 0.726 5.046 4.320 -0.000 0.000 0.286 386 A C -1.647 176.105 177.584 0.281 0.000 1.203 386 A CA -0.441 51.752 52.037 0.259 0.000 0.736 386 A CB 1.877 21.088 19.000 0.352 0.000 1.322 386 A HN -0.047 nan 8.150 nan 0.000 0.424 387 V N -0.110 120.036 119.914 0.387 0.000 2.891 387 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 387 V C -0.959 175.243 176.094 0.179 0.000 1.171 387 V CA -0.608 61.864 62.300 0.287 0.000 0.943 387 V CB 1.869 33.791 31.823 0.165 0.000 1.037 387 V HN 1.103 nan 8.190 nan 0.000 0.427 388 R N 4.644 125.104 120.500 -0.066 0.000 2.407 388 R HA 0.490 4.830 4.340 -0.000 0.000 0.303 388 R C -0.422 175.708 176.300 -0.284 0.000 0.981 388 R CA -0.440 55.447 56.100 -0.355 0.000 0.905 388 R CB 1.235 31.071 30.300 -0.774 0.000 1.099 388 R HN 0.832 nan 8.270 nan 0.000 0.459 389 C N 4.055 123.212 119.300 -0.238 0.000 3.305 389 C HA 0.092 4.552 4.460 -0.000 0.000 0.566 389 C C 0.543 175.218 174.990 -0.526 0.000 1.178 389 C CA -0.391 58.457 59.018 -0.283 0.000 1.317 389 C CB -2.149 25.547 27.740 -0.073 0.000 1.634 389 C HN 0.742 nan 8.230 nan 0.000 0.643 390 S N 0.902 116.165 115.700 -0.728 0.000 2.555 390 S HA 0.043 4.513 4.470 -0.000 0.000 0.293 390 S C 0.030 173.711 174.600 -1.532 0.000 1.248 390 S CA 0.561 58.009 58.200 -1.253 0.000 1.096 390 S CB -0.041 62.437 63.200 -1.203 0.000 0.881 390 S HN 0.724 nan 8.310 nan 0.000 0.498 391 H N 3.632 121.903 119.070 -1.332 0.000 2.616 391 H HA 0.289 4.845 4.556 -0.000 0.000 0.229 391 H C -1.136 173.996 175.328 -0.326 0.000 1.418 391 H CA -0.318 55.422 56.048 -0.513 0.000 1.248 391 H CB -0.015 29.653 29.762 -0.157 0.000 1.822 391 H HN 0.894 nan 8.280 nan 0.000 0.522 392 Y N -2.760 117.609 120.300 0.115 0.000 2.774 392 Y HA 0.440 4.990 4.550 -0.000 0.000 0.346 392 Y C -3.321 172.659 175.900 0.134 0.000 1.222 392 Y CA -3.326 54.858 58.100 0.141 0.000 1.088 392 Y CB -0.028 38.525 38.460 0.154 0.000 1.354 392 Y HN -0.132 nan 8.280 nan 0.000 0.455 393 P HA 0.219 nan 4.420 nan 0.000 0.276 393 P C -0.763 176.801 177.300 0.441 0.000 1.230 393 P CA 0.080 63.432 63.100 0.420 0.000 0.776 393 P CB 0.716 32.603 31.700 0.312 0.000 0.888 394 N N 0.468 119.413 118.700 0.408 0.000 2.476 394 N HA 0.104 4.844 4.740 -0.000 0.000 0.276 394 N C 0.123 175.813 175.510 0.301 0.000 1.204 394 N CA -0.601 52.581 53.050 0.220 0.000 0.974 394 N CB 0.496 38.868 38.487 -0.191 0.000 1.204 394 N HN 0.596 nan 8.380 nan 0.000 0.543 395 H N 2.026 121.157 119.070 0.102 0.000 3.140 395 H HA -0.040 4.516 4.556 -0.000 0.000 0.316 395 H C -1.570 173.919 175.328 0.269 0.000 0.986 395 H CA -0.378 55.748 56.048 0.131 0.000 1.397 395 H CB 0.934 30.741 29.762 0.074 0.000 1.377 395 H HN 0.425 nan 8.280 nan 0.000 0.585 396 P HA -0.246 nan 4.420 nan 0.000 0.217 396 P C 1.901 179.450 177.300 0.415 0.000 1.158 396 P CA 0.823 64.062 63.100 0.231 0.000 0.887 396 P CB 0.173 31.854 31.700 -0.032 0.000 0.792 397 L N -1.132 120.438 121.223 0.579 0.000 2.042 397 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 397 L C 2.415 179.503 176.870 0.362 0.000 1.076 397 L CA 1.618 56.737 54.840 0.465 0.000 0.749 397 L CB -1.637 40.681 42.059 0.432 0.000 0.893 397 L HN 0.109 nan 8.230 nan 0.000 0.432 398 W N -0.401 120.989 121.300 0.149 0.000 2.280 398 W HA -0.426 4.234 4.660 -0.000 0.000 0.332 398 W C 2.387 178.833 176.519 -0.121 0.000 1.300 398 W CA 2.393 59.693 57.345 -0.075 0.000 1.274 398 W CB -0.630 28.651 29.460 -0.298 0.000 1.141 398 W HN 0.269 nan 8.180 nan 0.000 0.474 399 Y N 0.493 120.752 120.300 -0.067 0.000 2.224 399 Y HA -0.238 4.312 4.550 -0.000 0.000 0.289 399 Y C 2.838 178.525 175.900 -0.355 0.000 1.146 399 Y CA 2.217 60.054 58.100 -0.437 0.000 1.182 399 Y CB -1.284 36.668 38.460 -0.846 0.000 0.983 399 Y HN -0.162 nan 8.280 nan 0.000 0.524 400 T N 0.394 114.984 114.554 0.060 0.000 2.821 400 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 400 T C 2.003 176.751 174.700 0.080 0.000 1.046 400 T CA 1.173 63.374 62.100 0.168 0.000 1.139 400 T CB -0.524 68.483 68.868 0.231 0.000 0.871 400 T HN 0.202 nan 8.240 nan 0.000 0.454 401 L N 0.773 122.006 121.223 0.018 0.000 2.017 401 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 401 L C 2.901 179.750 176.870 -0.035 0.000 1.073 401 L CA 1.167 56.027 54.840 0.034 0.000 0.745 401 L CB -0.718 41.347 42.059 0.010 0.000 0.894 401 L HN 0.385 nan 8.230 nan 0.000 0.432 402 C N -0.735 118.379 119.300 -0.310 0.000 2.425 402 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 402 C C 2.361 177.395 174.990 0.073 0.000 1.280 402 C CA 0.042 58.921 59.018 -0.231 0.000 1.744 402 C CB -0.985 26.513 27.740 -0.404 0.000 1.989 402 C HN 0.533 nan 8.230 nan 0.000 0.491 403 D N 0.722 121.185 120.400 0.104 0.000 2.104 403 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 403 D C 2.412 178.921 176.300 0.348 0.000 0.994 403 D CA 1.330 55.478 54.000 0.247 0.000 0.830 403 D CB -0.361 40.546 40.800 0.179 0.000 0.959 403 D HN 0.517 nan 8.370 nan 0.000 0.452 404 R N -0.823 119.769 120.500 0.153 0.000 2.062 404 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 404 R C 2.434 178.697 176.300 -0.062 0.000 1.128 404 R CA 0.879 56.997 56.100 0.029 0.000 0.960 404 R CB -0.339 29.904 30.300 -0.096 0.000 0.855 404 R HN 0.255 nan 8.270 nan 0.000 0.432 405 Y N -0.354 119.950 120.300 0.006 0.000 2.314 405 Y HA 0.092 4.642 4.550 -0.000 0.000 0.293 405 Y C 1.086 176.887 175.900 -0.165 0.000 1.129 405 Y CA 1.277 59.342 58.100 -0.058 0.000 1.201 405 Y CB 0.222 38.629 38.460 -0.088 0.000 0.999 405 Y HN 0.307 nan 8.280 nan 0.000 0.541 406 G N 0.826 109.614 108.800 -0.020 0.000 2.858 406 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.272 406 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.272 406 G C -1.120 173.589 174.900 -0.319 0.000 1.003 406 G CA -0.454 44.486 45.100 -0.265 0.000 1.241 406 G HN 0.163 nan 8.290 nan 0.000 0.569 407 L N 1.038 122.140 121.223 -0.201 0.000 2.482 407 L HA 0.454 4.794 4.340 -0.000 0.000 0.263 407 L C -0.722 176.133 176.870 -0.024 0.000 0.957 407 L CA -1.254 53.446 54.840 -0.232 0.000 0.836 407 L CB 2.067 44.020 42.059 -0.178 0.000 1.324 407 L HN 0.361 nan 8.230 nan 0.000 0.406 408 Y N 2.499 122.891 120.300 0.153 0.000 2.452 408 Y HA 0.330 4.880 4.550 -0.000 0.000 0.348 408 Y C 0.399 176.399 175.900 0.167 0.000 0.985 408 Y CA -0.613 57.611 58.100 0.207 0.000 1.214 408 Y CB 0.812 39.382 38.460 0.183 0.000 1.136 408 Y HN 0.095 nan 8.280 nan 0.000 0.523 409 V N 4.025 124.109 119.914 0.283 0.000 2.743 409 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 409 V C -0.099 176.070 176.094 0.125 0.000 1.057 409 V CA -0.956 61.457 62.300 0.189 0.000 1.006 409 V CB 1.860 33.772 31.823 0.149 0.000 1.024 409 V HN 0.414 nan 8.190 nan 0.000 0.473 410 V N 2.537 122.499 119.914 0.081 0.000 2.325 410 V HA 0.287 4.407 4.120 -0.000 0.000 0.280 410 V C -0.347 175.768 176.094 0.034 0.000 1.016 410 V CA -0.490 61.807 62.300 -0.006 0.000 0.818 410 V CB 1.303 33.045 31.823 -0.136 0.000 1.019 410 V HN 0.896 nan 8.190 nan 0.000 0.434 411 D N 4.043 124.488 120.400 0.075 0.000 2.390 411 D HA 0.216 4.856 4.640 -0.000 0.000 0.249 411 D C -0.059 176.406 176.300 0.274 0.000 1.144 411 D CA 0.397 54.548 54.000 0.252 0.000 0.880 411 D CB 1.192 42.196 40.800 0.341 0.000 1.182 411 D HN 0.667 nan 8.370 nan 0.000 0.451 412 E N 1.453 121.794 120.200 0.235 0.000 2.256 412 E HA 0.555 4.905 4.350 -0.000 0.000 0.268 412 E C -1.292 175.435 176.600 0.212 0.000 0.877 412 E CA -1.024 55.493 56.400 0.196 0.000 0.757 412 E CB 1.411 31.165 29.700 0.089 0.000 1.183 412 E HN 0.411 nan 8.360 nan 0.000 0.418 413 A N 3.938 126.881 122.820 0.205 0.000 2.462 413 A HA 0.070 4.390 4.320 -0.000 0.000 0.243 413 A C 0.453 178.151 177.584 0.190 0.000 1.076 413 A CA -0.321 51.820 52.037 0.173 0.000 0.773 413 A CB 0.201 19.266 19.000 0.109 0.000 1.010 413 A HN 0.688 nan 8.150 nan 0.000 0.493 414 N N 1.614 120.438 118.700 0.207 0.000 2.814 414 N HA 0.124 4.864 4.740 -0.000 0.000 0.304 414 N C -1.047 174.576 175.510 0.188 0.000 1.211 414 N CA 0.385 53.583 53.050 0.246 0.000 1.158 414 N CB -0.926 37.715 38.487 0.256 0.000 1.458 414 N HN 0.484 nan 8.380 nan 0.000 0.519 415 I N 1.095 121.766 120.570 0.169 0.000 2.497 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 415 I C -0.419 175.772 176.117 0.123 0.000 1.060 415 I CA -0.497 60.885 61.300 0.135 0.000 1.071 415 I CB 1.744 39.800 38.000 0.093 0.000 1.216 415 I HN 0.193 nan 8.210 nan 0.000 0.442 416 E N 4.039 124.303 120.200 0.107 0.000 2.307 416 E HA 0.359 4.709 4.350 -0.000 0.000 0.280 416 E C -0.582 176.052 176.600 0.057 0.000 0.900 416 E CA -0.480 55.948 56.400 0.046 0.000 0.790 416 E CB 1.595 31.268 29.700 -0.045 0.000 1.261 416 E HN 0.599 nan 8.360 nan 0.000 0.405 417 T N 0.583 115.165 114.554 0.046 0.000 3.228 417 T HA 0.128 4.478 4.350 -0.000 0.000 0.278 417 T C 1.110 175.827 174.700 0.029 0.000 1.014 417 T CA -0.074 62.082 62.100 0.094 0.000 0.904 417 T CB -0.358 68.547 68.868 0.063 0.000 1.110 417 T HN 0.686 nan 8.240 nan 0.000 0.541 418 H N 1.678 120.635 119.070 -0.189 0.000 2.312 418 H HA -0.213 4.343 4.556 -0.000 0.000 0.285 418 H C 2.269 177.433 175.328 -0.272 0.000 1.120 418 H CA 1.580 57.472 56.048 -0.259 0.000 1.179 418 H CB -0.421 29.141 29.762 -0.334 0.000 1.349 418 H HN 0.561 nan 8.280 nan 0.000 0.473 419 G N 0.293 108.908 108.800 -0.308 0.000 2.776 419 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.209 419 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.209 419 G C 0.349 175.313 174.900 0.108 0.000 1.145 419 G CA 0.019 44.955 45.100 -0.275 0.000 0.791 419 G HN 0.196 nan 8.290 nan 0.000 0.530 420 M N 0.478 120.168 119.600 0.150 0.000 2.291 420 M HA 0.386 4.866 4.480 -0.000 0.000 0.324 420 M C -0.713 175.608 176.300 0.034 0.000 1.148 420 M CA -0.389 54.987 55.300 0.127 0.000 1.104 420 M CB 1.745 34.384 32.600 0.065 0.000 1.483 420 M HN -0.218 nan 8.290 nan 0.000 0.467 421 V N 2.993 122.915 119.914 0.013 0.000 2.409 421 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 421 V C -2.159 173.923 176.094 -0.021 0.000 1.017 421 V CA -1.291 61.001 62.300 -0.013 0.000 0.841 421 V CB 1.383 33.195 31.823 -0.018 0.000 1.003 421 V HN 0.705 nan 8.190 nan 0.000 0.426 422 P HA 0.397 nan 4.420 nan 0.000 0.282 422 P C 1.172 178.460 177.300 -0.020 0.000 1.287 422 P CA -0.702 62.383 63.100 -0.024 0.000 0.792 422 P CB 0.855 32.541 31.700 -0.023 0.000 1.163 423 M N -0.118 119.471 119.600 -0.019 0.000 2.106 423 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 423 M C 1.502 177.803 176.300 0.002 0.000 1.068 423 M CA 1.902 57.196 55.300 -0.010 0.000 1.100 423 M CB -0.630 31.948 32.600 -0.036 0.000 1.351 423 M HN 0.333 nan 8.290 nan 0.000 0.404 424 N N 0.326 119.030 118.700 0.006 0.000 2.061 424 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 424 N C 1.342 176.821 175.510 -0.052 0.000 1.030 424 N CA 1.481 54.535 53.050 0.007 0.000 0.856 424 N CB -0.451 38.030 38.487 -0.009 0.000 1.023 424 N HN 0.217 nan 8.380 nan 0.000 0.424 425 R N 0.082 120.542 120.500 -0.068 0.000 2.362 425 R HA -0.264 4.076 4.340 -0.000 0.000 0.211 425 R C 1.839 178.023 176.300 -0.193 0.000 1.022 425 R CA 2.430 58.462 56.100 -0.113 0.000 0.630 425 R CB -0.897 29.335 30.300 -0.114 0.000 0.874 425 R HN 0.296 nan 8.270 nan 0.000 0.324 426 L N -1.311 119.721 121.223 -0.318 0.000 2.202 426 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 426 L C 2.568 179.280 176.870 -0.262 0.000 1.083 426 L CA 1.396 55.903 54.840 -0.556 0.000 0.790 426 L CB -0.692 40.728 42.059 -1.065 0.000 0.942 426 L HN 0.572 nan 8.230 nan 0.000 0.452 427 T N -3.889 110.567 114.554 -0.164 0.000 2.929 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.336 175.977 174.700 -0.098 0.000 1.085 427 T CA 1.448 63.470 62.100 -0.130 0.000 1.125 427 T CB -0.226 68.593 68.868 -0.081 0.000 0.874 427 T HN 0.116 nan 8.240 nan 0.000 0.494 428 D N 1.494 121.856 120.400 -0.063 0.000 2.349 428 D HA 0.110 4.750 4.640 -0.000 0.000 0.214 428 D C -0.112 176.173 176.300 -0.025 0.000 1.063 428 D CA -0.160 53.809 54.000 -0.051 0.000 0.847 428 D CB -0.061 40.712 40.800 -0.046 0.000 0.933 428 D HN 0.564 nan 8.370 nan 0.000 0.513 429 D N -0.437 119.963 120.400 -0.001 0.000 2.280 429 D HA 0.164 4.804 4.640 -0.000 0.000 0.236 429 D C -1.757 174.605 176.300 0.104 0.000 1.082 429 D CA -2.113 51.925 54.000 0.063 0.000 0.834 429 D CB 1.889 42.744 40.800 0.091 0.000 1.100 429 D HN -0.179 nan 8.370 nan 0.000 0.486 430 P HA -0.224 nan 4.420 nan 0.000 0.218 430 P C 0.872 178.173 177.300 0.002 0.000 1.152 430 P CA 1.351 64.458 63.100 0.012 0.000 0.857 430 P CB 0.142 31.838 31.700 -0.006 0.000 0.787 431 R N -2.465 118.045 120.500 0.017 0.000 2.241 431 R HA -0.108 4.232 4.340 -0.000 0.000 0.224 431 R C 1.616 177.767 176.300 -0.248 0.000 1.101 431 R CA 1.146 57.180 56.100 -0.110 0.000 0.995 431 R CB -0.736 29.483 30.300 -0.134 0.000 0.870 431 R HN 0.360 nan 8.270 nan 0.000 0.463 432 W N -1.087 120.156 121.300 -0.096 0.000 3.177 432 W HA 0.202 4.862 4.660 -0.000 0.000 0.309 432 W C 1.306 177.760 176.519 -0.109 0.000 1.224 432 W CA -0.565 56.721 57.345 -0.099 0.000 1.718 432 W CB -0.035 29.367 29.460 -0.097 0.000 1.078 432 W HN 0.003 nan 8.180 nan 0.000 0.618 433 L N 2.277 123.519 121.223 0.031 0.000 2.042 433 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 433 L C -0.648 176.174 176.870 -0.080 0.000 1.076 433 L CA 2.269 57.086 54.840 -0.040 0.000 0.749 433 L CB -1.824 40.204 42.059 -0.051 0.000 0.893 433 L HN -0.211 nan 8.230 nan 0.000 0.432 434 P HA -0.147 nan 4.420 nan 0.000 0.213 434 P C 1.683 178.917 177.300 -0.111 0.000 1.170 434 P CA 2.267 65.293 63.100 -0.123 0.000 0.898 434 P CB -0.291 31.325 31.700 -0.140 0.000 0.787 435 A N -0.633 122.129 122.820 -0.097 0.000 1.917 435 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 435 A C 2.267 179.851 177.584 0.001 0.000 1.182 435 A CA 2.452 54.468 52.037 -0.035 0.000 0.633 435 A CB -1.591 17.413 19.000 0.008 0.000 0.819 435 A HN 0.118 nan 8.150 nan 0.000 0.448 436 M N -0.349 119.255 119.600 0.007 0.000 2.086 436 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 436 M C 2.603 178.838 176.300 -0.109 0.000 1.067 436 M CA 1.850 57.130 55.300 -0.034 0.000 1.116 436 M CB -0.598 31.962 32.600 -0.068 0.000 1.348 436 M HN 0.655 nan 8.290 nan 0.000 0.407 437 S N 0.564 116.170 115.700 -0.157 0.000 2.387 437 S HA -0.201 4.269 4.470 -0.000 0.000 0.230 437 S C 1.708 176.131 174.600 -0.296 0.000 1.035 437 S CA 1.554 59.596 58.200 -0.263 0.000 1.014 437 S CB -0.440 62.581 63.200 -0.298 0.000 0.836 437 S HN 0.470 nan 8.310 nan 0.000 0.466 438 E N 0.777 120.855 120.200 -0.203 0.000 2.077 438 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 438 E C 2.430 178.943 176.600 -0.146 0.000 0.989 438 E CA 1.086 57.380 56.400 -0.175 0.000 0.800 438 E CB -0.189 29.442 29.700 -0.114 0.000 0.746 438 E HN 0.587 nan 8.360 nan 0.000 0.452 439 R N 0.133 120.574 120.500 -0.099 0.000 2.120 439 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 439 R C 2.342 178.595 176.300 -0.078 0.000 1.123 439 R CA 0.823 56.893 56.100 -0.050 0.000 0.975 439 R CB -0.047 30.258 30.300 0.008 0.000 0.866 439 R HN 0.016 nan 8.270 nan 0.000 0.446 440 V N -0.053 119.769 119.914 -0.153 0.000 2.374 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.241 440 V C 2.424 178.363 176.094 -0.258 0.000 1.034 440 V CA 2.057 64.252 62.300 -0.174 0.000 1.037 440 V CB -0.448 31.269 31.823 -0.176 0.000 0.682 440 V HN 0.517 nan 8.190 nan 0.000 0.463 441 T N -0.123 114.165 114.554 -0.445 0.000 2.708 441 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 441 T C 1.897 176.454 174.700 -0.239 0.000 1.037 441 T CA 1.445 63.219 62.100 -0.543 0.000 1.146 441 T CB -0.479 67.822 68.868 -0.946 0.000 0.865 441 T HN 0.439 nan 8.240 nan 0.000 0.435 442 R N 0.667 121.044 120.500 -0.205 0.000 2.189 442 R HA 0.171 4.511 4.340 -0.000 0.000 0.223 442 R C 2.622 178.850 176.300 -0.121 0.000 1.092 442 R CA 1.335 57.350 56.100 -0.142 0.000 0.989 442 R CB -0.534 29.691 30.300 -0.126 0.000 0.876 442 R HN 0.540 nan 8.270 nan 0.000 0.457 443 M N 0.667 120.199 119.600 -0.113 0.000 2.236 443 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 443 M C 1.715 177.944 176.300 -0.118 0.000 1.070 443 M CA 1.456 56.718 55.300 -0.064 0.000 1.137 443 M CB 0.206 32.811 32.600 0.008 0.000 1.378 443 M HN -0.072 nan 8.290 nan 0.000 0.426 444 V N 1.477 121.225 119.914 -0.276 0.000 2.407 444 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 444 V C 2.234 178.230 176.094 -0.163 0.000 1.055 444 V CA 2.010 64.069 62.300 -0.403 0.000 1.049 444 V CB -1.145 30.411 31.823 -0.444 0.000 0.662 444 V HN 0.599 nan 8.190 nan 0.000 0.455 445 Q N -0.297 119.435 119.800 -0.113 0.000 2.167 445 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 445 Q C 2.452 178.365 176.000 -0.145 0.000 0.970 445 Q CA 1.398 57.136 55.803 -0.107 0.000 0.855 445 Q CB -0.221 28.479 28.738 -0.063 0.000 0.911 445 Q HN 0.553 nan 8.270 nan 0.000 0.438 446 R N 0.440 120.851 120.500 -0.149 0.000 2.093 446 R HA -0.095 4.245 4.340 -0.000 0.000 0.224 446 R C 0.600 176.821 176.300 -0.132 0.000 1.101 446 R CA 1.341 57.331 56.100 -0.183 0.000 0.979 446 R CB 0.388 30.579 30.300 -0.181 0.000 0.877 446 R HN 0.186 nan 8.270 nan 0.000 0.441 447 D N -0.191 120.186 120.400 -0.038 0.000 2.417 447 D HA -0.017 4.623 4.640 -0.000 0.000 0.207 447 D C 1.479 177.851 176.300 0.120 0.000 1.075 447 D CA 0.184 54.201 54.000 0.028 0.000 0.851 447 D CB 0.176 40.920 40.800 -0.093 0.000 0.976 447 D HN 0.314 nan 8.370 nan 0.000 0.505 448 R N 1.140 121.738 120.500 0.163 0.000 2.276 448 R HA -0.098 4.242 4.340 -0.000 0.000 0.243 448 R C 1.318 177.609 176.300 -0.015 0.000 1.161 448 R CA 1.182 57.381 56.100 0.165 0.000 1.007 448 R CB -0.528 29.791 30.300 0.032 0.000 0.867 448 R HN 0.042 nan 8.270 nan 0.000 0.472 449 N N 0.187 118.809 118.700 -0.130 0.000 2.376 449 N HA -0.063 4.677 4.740 -0.000 0.000 0.177 449 N C -0.155 175.209 175.510 -0.242 0.000 1.024 449 N CA 0.468 53.390 53.050 -0.213 0.000 0.893 449 N CB -0.091 38.233 38.487 -0.272 0.000 0.980 449 N HN 0.333 nan 8.380 nan 0.000 0.439 450 H N 1.933 120.929 119.070 -0.124 0.000 3.091 450 H HA 0.025 4.581 4.556 -0.000 0.000 0.289 450 H C -1.157 174.025 175.328 -0.244 0.000 0.995 450 H CA -0.899 55.060 56.048 -0.147 0.000 1.461 450 H CB 1.085 30.785 29.762 -0.104 0.000 1.510 450 H HN 0.159 nan 8.280 nan 0.000 0.546 451 P HA -0.177 nan 4.420 nan 0.000 0.215 451 P C 1.596 178.514 177.300 -0.635 0.000 1.153 451 P CA 1.574 64.331 63.100 -0.572 0.000 0.853 451 P CB 0.156 31.246 31.700 -1.018 0.000 0.788 452 S N -0.327 115.089 115.700 -0.473 0.000 2.380 452 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 452 S C 1.145 175.741 174.600 -0.006 0.000 1.043 452 S CA 0.991 59.124 58.200 -0.110 0.000 1.038 452 S CB -2.020 61.216 63.200 0.060 0.000 0.872 452 S HN -0.017 nan 8.310 nan 0.000 0.456 453 V N 3.837 123.710 119.914 -0.068 0.000 2.450 453 V HA 0.183 4.303 4.120 -0.000 0.000 0.281 453 V C 1.072 177.027 176.094 -0.232 0.000 1.019 453 V CA 0.474 62.684 62.300 -0.151 0.000 1.062 453 V CB 0.026 31.697 31.823 -0.253 0.000 0.979 453 V HN 0.654 nan 8.190 nan 0.000 0.477 454 I N 2.255 122.711 120.570 -0.189 0.000 4.439 454 I HA 0.520 4.690 4.170 -0.000 0.000 0.331 454 I C 0.176 176.163 176.117 -0.216 0.000 1.345 454 I CA 0.284 61.482 61.300 -0.170 0.000 1.193 454 I CB 0.547 38.503 38.000 -0.073 0.000 1.221 454 I HN 0.325 nan 8.210 nan 0.000 0.429 455 I N 0.465 120.858 120.570 -0.294 0.000 2.722 455 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 455 I C -1.700 174.270 176.117 -0.244 0.000 1.267 455 I CA -0.351 60.825 61.300 -0.207 0.000 1.036 455 I CB 1.872 39.848 38.000 -0.041 0.000 1.281 455 I HN 0.055 nan 8.210 nan 0.000 0.423 456 W N 3.305 124.652 121.300 0.079 0.000 2.516 456 W HA 0.636 5.296 4.660 -0.000 0.000 0.343 456 W C 0.435 177.015 176.519 0.103 0.000 1.094 456 W CA -0.652 56.746 57.345 0.089 0.000 1.250 456 W CB 1.721 31.235 29.460 0.091 0.000 1.308 456 W HN 0.348 nan 8.180 nan 0.000 0.588 457 S N 1.547 117.488 115.700 0.402 0.000 2.536 457 S HA 0.408 4.878 4.470 -0.000 0.000 0.287 457 S C 0.032 174.800 174.600 0.279 0.000 1.101 457 S CA -0.681 57.693 58.200 0.291 0.000 0.950 457 S CB 0.869 64.188 63.200 0.198 0.000 1.056 457 S HN 0.565 nan 8.310 nan 0.000 0.481 458 L N 3.958 125.339 121.223 0.263 0.000 2.650 458 L HA 0.326 4.666 4.340 -0.000 0.000 0.235 458 L C 1.422 178.378 176.870 0.144 0.000 1.149 458 L CA 0.601 55.529 54.840 0.147 0.000 0.887 458 L CB -1.109 40.956 42.059 0.009 0.000 1.021 458 L HN 1.029 nan 8.230 nan 0.000 0.441 459 G N 0.304 109.256 108.800 0.253 0.000 2.384 459 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.200 459 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.200 459 G C -1.152 173.937 174.900 0.314 0.000 1.205 459 G CA -0.257 44.992 45.100 0.248 0.000 1.116 459 G HN 0.301 nan 8.290 nan 0.000 0.547 460 N N 0.309 119.141 118.700 0.221 0.000 2.598 460 N HA 0.456 5.196 4.740 -0.000 0.000 0.263 460 N C -0.820 174.647 175.510 -0.071 0.000 1.254 460 N CA 0.132 53.204 53.050 0.036 0.000 0.863 460 N CB 1.322 39.672 38.487 -0.227 0.000 1.586 460 N HN 0.992 nan 8.380 nan 0.000 0.491 461 E N 0.817 120.879 120.200 -0.230 0.000 1.961 461 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 461 E C -0.912 175.575 176.600 -0.189 0.000 1.520 461 E CA 0.767 56.945 56.400 -0.371 0.000 0.629 461 E CB -1.232 27.985 29.700 -0.805 0.000 1.008 461 E HN 0.444 nan 8.360 nan 0.000 0.294 462 S N 0.370 116.076 115.700 0.009 0.000 3.088 462 S HA 0.364 4.834 4.470 -0.000 0.000 0.249 462 S C 0.607 175.328 174.600 0.201 0.000 0.877 462 S CA -0.146 58.137 58.200 0.138 0.000 1.184 462 S CB 1.299 64.665 63.200 0.276 0.000 1.170 462 S HN 0.996 nan 8.310 nan 0.000 0.603 463 G N 2.046 110.897 108.800 0.085 0.000 2.564 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.273 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.273 463 G C -0.463 174.566 174.900 0.215 0.000 1.242 463 G CA 0.260 45.415 45.100 0.091 0.000 0.951 463 G HN 0.677 nan 8.290 nan 0.000 0.564 464 H N 0.536 119.650 119.070 0.072 0.000 3.092 464 H HA 0.539 5.095 4.556 -0.000 0.000 0.308 464 H C 0.324 175.760 175.328 0.180 0.000 1.047 464 H CA -0.026 56.070 56.048 0.080 0.000 1.466 464 H CB 0.246 30.035 29.762 0.044 0.000 1.597 464 H HN 1.014 nan 8.280 nan 0.000 0.512 465 G N 1.262 110.152 108.800 0.150 0.000 2.511 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.318 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.318 465 G C 0.750 175.559 174.900 -0.151 0.000 1.210 465 G CA -0.135 44.911 45.100 -0.089 0.000 0.969 465 G HN 0.634 nan 8.290 nan 0.000 0.484 466 A N 0.617 123.351 122.820 -0.142 0.000 1.986 466 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 466 A C 2.175 179.735 177.584 -0.039 0.000 1.171 466 A CA 2.056 54.049 52.037 -0.073 0.000 0.640 466 A CB -0.526 18.450 19.000 -0.041 0.000 0.811 466 A HN 0.578 nan 8.150 nan 0.000 0.451 467 N N -0.219 118.421 118.700 -0.100 0.000 2.192 467 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 467 N C 1.347 176.765 175.510 -0.152 0.000 1.013 467 N CA 1.933 54.894 53.050 -0.148 0.000 0.863 467 N CB -0.687 37.677 38.487 -0.204 0.000 0.990 467 N HN 0.810 nan 8.380 nan 0.000 0.430 468 H N 0.044 119.083 119.070 -0.051 0.000 2.333 468 H HA 0.017 4.573 4.556 -0.000 0.000 0.302 468 H C 1.310 176.697 175.328 0.097 0.000 1.075 468 H CA 1.230 57.258 56.048 -0.033 0.000 1.348 468 H CB 0.099 29.838 29.762 -0.039 0.000 1.393 468 H HN 0.147 nan 8.280 nan 0.000 0.509 469 D N 0.517 121.071 120.400 0.257 0.000 2.104 469 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 469 D C 2.296 178.753 176.300 0.262 0.000 0.994 469 D CA 1.245 55.406 54.000 0.268 0.000 0.830 469 D CB -0.488 40.436 40.800 0.207 0.000 0.959 469 D HN 0.416 nan 8.370 nan 0.000 0.452 470 A N 0.934 123.847 122.820 0.154 0.000 1.865 470 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 470 A C 2.406 180.076 177.584 0.144 0.000 1.191 470 A CA 1.221 53.329 52.037 0.119 0.000 0.623 470 A CB -0.935 18.095 19.000 0.050 0.000 0.826 470 A HN 0.245 nan 8.150 nan 0.000 0.444 471 L N -1.852 119.438 121.223 0.111 0.000 2.362 471 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 471 L C 2.452 179.446 176.870 0.206 0.000 1.134 471 L CA 1.182 56.091 54.840 0.115 0.000 0.807 471 L CB -0.646 41.410 42.059 -0.005 0.000 0.927 471 L HN 0.608 nan 8.230 nan 0.000 0.447 472 Y N 0.723 121.095 120.300 0.119 0.000 2.109 472 Y HA -0.176 4.374 4.550 -0.000 0.000 0.285 472 Y C 2.860 178.828 175.900 0.114 0.000 1.131 472 Y CA 1.329 59.502 58.100 0.122 0.000 1.121 472 Y CB -0.209 38.326 38.460 0.125 0.000 0.987 472 Y HN -0.108 nan 8.280 nan 0.000 0.495 473 R N 0.007 120.464 120.500 -0.072 0.000 2.105 473 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 473 R C 2.119 178.355 176.300 -0.107 0.000 1.135 473 R CA 1.854 57.864 56.100 -0.150 0.000 0.967 473 R CB -1.573 28.745 30.300 0.030 0.000 0.861 473 R HN 0.676 nan 8.270 nan 0.000 0.442 474 W N 0.990 122.210 121.300 -0.133 0.000 2.335 474 W HA -0.174 4.486 4.660 -0.000 0.000 0.311 474 W C 1.891 178.307 176.519 -0.172 0.000 1.213 474 W CA 1.709 58.977 57.345 -0.129 0.000 1.274 474 W CB -0.335 29.059 29.460 -0.109 0.000 1.148 474 W HN 0.005 nan 8.180 nan 0.000 0.498 475 I N 0.423 120.924 120.570 -0.115 0.000 2.202 475 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 475 I C 2.443 178.336 176.117 -0.374 0.000 1.091 475 I CA 1.083 62.204 61.300 -0.298 0.000 1.368 475 I CB -0.816 37.104 38.000 -0.133 0.000 1.058 475 I HN -0.182 nan 8.210 nan 0.000 0.410 476 K N 1.135 121.333 120.400 -0.337 0.000 2.074 476 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 476 K C 2.267 178.701 176.600 -0.277 0.000 1.048 476 K CA 1.738 57.838 56.287 -0.313 0.000 0.926 476 K CB -0.594 31.648 32.500 -0.430 0.000 0.713 476 K HN 0.309 nan 8.250 nan 0.000 0.444 477 S N 0.130 115.625 115.700 -0.343 0.000 2.371 477 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 477 S C 2.177 176.538 174.600 -0.398 0.000 1.036 477 S CA 0.791 58.802 58.200 -0.315 0.000 0.965 477 S CB -0.274 62.758 63.200 -0.281 0.000 0.845 477 S HN -0.018 nan 8.310 nan 0.000 0.475 478 V N 1.796 121.309 119.914 -0.669 0.000 2.490 478 V HA -0.076 4.044 4.120 -0.000 0.000 0.250 478 V C 0.600 176.430 176.094 -0.439 0.000 1.061 478 V CA 1.631 63.503 62.300 -0.714 0.000 1.064 478 V CB -0.409 30.587 31.823 -1.378 0.000 0.670 478 V HN 0.472 nan 8.190 nan 0.000 0.461 479 D N -1.001 119.205 120.400 -0.323 0.000 2.328 479 D HA 0.201 4.841 4.640 -0.000 0.000 0.243 479 D C -2.292 173.980 176.300 -0.045 0.000 1.324 479 D CA -1.504 52.417 54.000 -0.131 0.000 0.966 479 D CB 1.604 42.404 40.800 -0.000 0.000 1.324 479 D HN 0.128 nan 8.370 nan 0.000 0.549 480 P HA 0.044 nan 4.420 nan 0.000 0.253 480 P C 0.860 178.175 177.300 0.024 0.000 1.260 480 P CA 0.143 63.230 63.100 -0.022 0.000 0.800 480 P CB 0.116 31.793 31.700 -0.039 0.000 1.162 481 S N -0.862 114.864 115.700 0.043 0.000 2.562 481 S HA 0.118 4.588 4.470 -0.000 0.000 0.221 481 S C 0.777 175.410 174.600 0.054 0.000 0.975 481 S CA -0.270 57.962 58.200 0.054 0.000 0.918 481 S CB -0.326 62.901 63.200 0.045 0.000 0.772 481 S HN 0.086 nan 8.310 nan 0.000 0.531 482 R N 0.966 121.512 120.500 0.077 0.000 2.626 482 R HA 0.513 4.853 4.340 -0.000 0.000 0.274 482 R C -3.219 173.145 176.300 0.106 0.000 1.031 482 R CA -2.063 54.061 56.100 0.039 0.000 0.898 482 R CB 1.502 31.756 30.300 -0.076 0.000 1.222 482 R HN 0.131 nan 8.270 nan 0.000 0.455 483 P HA 0.137 nan 4.420 nan 0.000 0.272 483 P C -0.746 176.673 177.300 0.198 0.000 1.240 483 P CA -0.399 62.775 63.100 0.124 0.000 0.791 483 P CB 0.658 32.406 31.700 0.081 0.000 0.978 484 V N 1.261 121.333 119.914 0.264 0.000 2.588 484 V HA 0.437 4.557 4.120 -0.000 0.000 0.304 484 V C 0.049 176.310 176.094 0.278 0.000 1.042 484 V CA -0.492 62.014 62.300 0.344 0.000 0.877 484 V CB 1.274 33.375 31.823 0.464 0.000 0.996 484 V HN 0.670 nan 8.190 nan 0.000 0.425 485 Q N 3.648 123.587 119.800 0.231 0.000 2.423 485 Q HA 0.835 5.175 4.340 -0.000 0.000 0.278 485 Q C -1.735 174.392 176.000 0.213 0.000 1.097 485 Q CA -0.959 54.933 55.803 0.148 0.000 0.809 485 Q CB 2.963 31.738 28.738 0.062 0.000 1.391 485 Q HN 0.693 nan 8.270 nan 0.000 0.428 486 Y N 0.416 120.696 120.300 -0.034 0.000 2.424 486 Y HA 0.177 4.727 4.550 -0.000 0.000 0.323 486 Y C -0.435 175.386 175.900 -0.132 0.000 1.174 486 Y CA -0.722 57.338 58.100 -0.066 0.000 1.060 486 Y CB 2.158 40.587 38.460 -0.050 0.000 1.314 486 Y HN 0.950 nan 8.280 nan 0.000 0.439 487 E N 3.475 123.151 120.200 -0.873 0.000 2.250 487 E HA 0.130 4.480 4.350 -0.000 0.000 0.192 487 E C 0.631 176.765 176.600 -0.776 0.000 0.986 487 E CA 0.744 56.742 56.400 -0.669 0.000 0.849 487 E CB 0.194 29.631 29.700 -0.437 0.000 0.797 487 E HN 0.893 nan 8.360 nan 0.000 0.482 488 G N -0.035 107.944 108.800 -1.369 0.000 2.474 488 G HA2 0.232 4.192 3.960 -0.000 0.000 0.233 488 G HA3 0.232 4.192 3.960 -0.000 0.000 0.233 488 G C 0.778 175.490 174.900 -0.314 0.000 1.278 488 G CA 0.325 44.998 45.100 -0.713 0.000 0.861 488 G HN 0.385 nan 8.290 nan 0.000 0.567 489 G N -0.458 108.257 108.800 -0.142 0.000 2.160 489 G HA2 0.256 4.216 3.960 -0.000 0.000 0.244 489 G HA3 0.256 4.216 3.960 -0.000 0.000 0.244 489 G C 1.228 176.090 174.900 -0.062 0.000 1.022 489 G CA 0.912 45.987 45.100 -0.041 0.000 0.741 489 G HN 2.643 nan 8.290 nan 0.000 0.508 490 G N -1.423 107.336 108.800 -0.069 0.000 2.175 490 G HA2 0.414 4.374 3.960 -0.000 0.000 0.182 490 G HA3 0.414 4.374 3.960 -0.000 0.000 0.182 490 G C 1.213 176.184 174.900 0.119 0.000 1.003 490 G CA 1.197 46.317 45.100 0.033 0.000 0.666 490 G HN 2.347 nan 8.290 nan 0.000 0.506 491 A N -0.253 122.532 122.820 -0.059 0.000 3.100 491 A HA -0.123 4.197 4.320 -0.000 0.000 0.268 491 A C 1.148 178.660 177.584 -0.120 0.000 1.227 491 A CA 2.695 54.654 52.037 -0.130 0.000 0.967 491 A CB -1.636 17.284 19.000 -0.134 0.000 1.066 491 A HN 2.124 nan 8.150 nan 0.000 0.787 492 D N -1.523 118.876 120.400 -0.002 0.000 2.785 492 D HA 0.276 4.916 4.640 -0.000 0.000 0.324 492 D C 0.354 176.633 176.300 -0.034 0.000 1.523 492 D CA 0.719 54.720 54.000 0.002 0.000 0.789 492 D CB -1.255 39.675 40.800 0.216 0.000 1.171 492 D HN 0.806 nan 8.370 nan 0.000 0.447 493 T N -2.233 112.235 114.554 -0.143 0.000 2.667 493 T HA 0.158 4.508 4.350 -0.000 0.000 0.305 493 T C 1.730 176.303 174.700 -0.212 0.000 1.022 493 T CA 0.634 62.591 62.100 -0.239 0.000 0.995 493 T CB 0.893 69.396 68.868 -0.609 0.000 1.026 493 T HN 0.106 nan 8.240 nan 0.000 0.527 494 T N -2.414 112.028 114.554 -0.188 0.000 3.051 494 T HA 0.087 4.437 4.350 -0.000 0.000 0.269 494 T C 1.775 176.262 174.700 -0.355 0.000 1.127 494 T CA 0.582 62.592 62.100 -0.149 0.000 1.107 494 T CB -0.660 68.208 68.868 -0.000 0.000 0.898 494 T HN 0.849 nan 8.240 nan 0.000 0.517 495 A N 0.245 122.855 122.820 -0.349 0.000 2.307 495 A HA 0.460 4.780 4.320 -0.000 0.000 0.218 495 A C 1.017 178.330 177.584 -0.451 0.000 1.228 495 A CA 0.061 51.834 52.037 -0.440 0.000 0.857 495 A CB -0.118 18.882 19.000 -0.001 0.000 0.897 495 A HN 0.491 nan 8.150 nan 0.000 0.495 496 T N -1.755 112.564 114.554 -0.392 0.000 2.909 496 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 496 T C -0.575 174.065 174.700 -0.100 0.000 1.073 496 T CA -0.475 61.532 62.100 -0.154 0.000 0.999 496 T CB 1.371 70.191 68.868 -0.080 0.000 1.098 496 T HN 0.063 nan 8.240 nan 0.000 0.477 497 D N 2.249 122.682 120.400 0.055 0.000 2.349 497 D HA 0.279 4.919 4.640 -0.000 0.000 0.215 497 D C 0.151 176.456 176.300 0.009 0.000 1.016 497 D CA 0.665 54.710 54.000 0.074 0.000 0.870 497 D CB 0.363 41.250 40.800 0.145 0.000 0.917 497 D HN 0.484 nan 8.370 nan 0.000 0.524 498 I N 0.946 121.499 120.570 -0.028 0.000 2.533 498 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 498 I C -0.221 175.806 176.117 -0.149 0.000 1.056 498 I CA -0.782 60.470 61.300 -0.079 0.000 1.057 498 I CB 2.874 40.839 38.000 -0.059 0.000 1.240 498 I HN -0.312 nan 8.210 nan 0.000 0.423 499 I N 5.713 126.151 120.570 -0.220 0.000 2.505 499 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 499 I C -0.077 175.804 176.117 -0.393 0.000 1.104 499 I CA -0.036 61.035 61.300 -0.382 0.000 1.387 499 I CB -0.082 37.571 38.000 -0.578 0.000 1.404 499 I HN 0.648 nan 8.210 nan 0.000 0.528 500 C N 5.667 124.746 119.300 -0.370 0.000 3.328 500 C HA 0.490 4.950 4.460 -0.000 0.000 0.230 500 C C -2.224 172.586 174.990 -0.300 0.000 1.232 500 C CA -2.205 56.640 59.018 -0.287 0.000 1.431 500 C CB -0.378 27.252 27.740 -0.183 0.000 1.818 500 C HN 0.437 nan 8.230 nan 0.000 0.484 501 P HA 0.454 nan 4.420 nan 0.000 0.275 501 P C -0.508 176.694 177.300 -0.163 0.000 1.266 501 P CA -0.052 62.915 63.100 -0.222 0.000 0.793 501 P CB 0.753 32.373 31.700 -0.134 0.000 1.074 502 M N -1.106 118.410 119.600 -0.140 0.000 2.321 502 M HA 0.481 4.961 4.480 -0.000 0.000 0.315 502 M C -0.868 175.316 176.300 -0.194 0.000 1.052 502 M CA -0.681 54.419 55.300 -0.334 0.000 0.936 502 M CB 1.632 33.972 32.600 -0.433 0.000 1.639 502 M HN 0.216 nan 8.290 nan 0.000 0.433 503 Y N -0.621 119.812 120.300 0.222 0.000 4.538 503 Y HA -0.226 4.324 4.550 -0.000 0.000 0.225 503 Y C 0.583 176.652 175.900 0.281 0.000 1.074 503 Y CA 0.575 58.829 58.100 0.257 0.000 1.942 503 Y CB -2.602 36.013 38.460 0.258 0.000 1.618 503 Y HN 0.983 nan 8.280 nan 0.000 0.642 504 A N 0.830 123.852 122.820 0.338 0.000 2.462 504 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 504 A C 0.774 178.581 177.584 0.371 0.000 1.076 504 A CA -0.433 51.819 52.037 0.358 0.000 0.773 504 A CB 0.341 19.591 19.000 0.417 0.000 1.010 504 A HN 0.390 nan 8.150 nan 0.000 0.493 505 R N 1.181 121.832 120.500 0.252 0.000 2.528 505 R HA 0.327 4.667 4.340 -0.000 0.000 0.271 505 R C 1.054 177.365 176.300 0.018 0.000 1.056 505 R CA -0.604 55.574 56.100 0.130 0.000 1.117 505 R CB 0.895 31.234 30.300 0.065 0.000 1.085 505 R HN 0.493 nan 8.270 nan 0.000 0.530 506 V N 0.793 120.583 119.914 -0.208 0.000 2.407 506 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 506 V C 0.713 176.727 176.094 -0.132 0.000 1.055 506 V CA 1.834 63.977 62.300 -0.261 0.000 1.049 506 V CB -0.270 31.271 31.823 -0.469 0.000 0.662 506 V HN 0.794 nan 8.190 nan 0.000 0.455 507 D N -1.273 119.074 120.400 -0.089 0.000 2.538 507 D HA 0.136 4.776 4.640 -0.000 0.000 0.241 507 D C 0.475 176.770 176.300 -0.008 0.000 1.297 507 D CA 0.044 54.017 54.000 -0.045 0.000 0.804 507 D CB 0.941 41.709 40.800 -0.054 0.000 1.122 507 D HN 0.584 nan 8.370 nan 0.000 0.519 508 E N 1.631 121.834 120.200 0.004 0.000 2.210 508 E HA 0.215 4.564 4.350 -0.000 0.000 0.266 508 E C -1.277 175.336 176.600 0.021 0.000 0.883 508 E CA -0.546 55.859 56.400 0.008 0.000 0.761 508 E CB 1.837 31.533 29.700 -0.007 0.000 1.156 508 E HN -0.262 nan 8.360 nan 0.000 0.412 509 D N 3.902 124.316 120.400 0.022 0.000 2.264 509 D HA 0.124 4.764 4.640 -0.000 0.000 0.250 509 D C -0.557 175.651 176.300 -0.153 0.000 1.113 509 D CA -0.052 53.953 54.000 0.007 0.000 0.871 509 D CB 1.356 42.243 40.800 0.145 0.000 1.167 509 D HN 0.403 nan 8.370 nan 0.000 0.447 510 Q N 2.249 121.877 119.800 -0.288 0.000 2.563 510 Q HA 0.265 4.605 4.340 -0.000 0.000 0.232 510 Q C -2.151 173.389 176.000 -0.767 0.000 1.106 510 Q CA -1.722 53.742 55.803 -0.565 0.000 0.913 510 Q CB 1.500 29.892 28.738 -0.576 0.000 1.175 510 Q HN 0.151 nan 8.270 nan 0.000 0.540 511 P HA 0.011 nan 4.420 nan 0.000 0.226 511 P C -0.812 176.252 177.300 -0.393 0.000 1.783 511 P CA -0.157 62.627 63.100 -0.525 0.000 0.980 511 P CB -0.416 31.119 31.700 -0.274 0.000 1.967 512 F N 2.813 122.607 119.950 -0.260 0.000 2.506 512 F HA 0.181 4.708 4.527 -0.000 0.000 0.351 512 F C -1.193 174.507 175.800 -0.166 0.000 1.136 512 F CA -2.059 55.836 58.000 -0.174 0.000 1.298 512 F CB -0.738 38.167 39.000 -0.158 0.000 1.145 512 F HN 0.113 nan 8.300 nan 0.000 0.593 513 P HA 0.246 nan 4.420 nan 0.000 0.275 513 P C 0.198 177.506 177.300 0.014 0.000 1.227 513 P CA 0.730 63.846 63.100 0.027 0.000 0.781 513 P CB 1.305 33.018 31.700 0.021 0.000 0.906 514 A N 2.902 125.720 122.820 -0.004 0.000 3.275 514 A HA -0.231 4.089 4.320 -0.000 0.000 0.241 514 A C 0.691 178.261 177.584 -0.024 0.000 0.607 514 A CA 1.896 53.928 52.037 -0.007 0.000 1.181 514 A CB -2.685 16.311 19.000 -0.007 0.000 1.304 514 A HN 0.653 nan 8.150 nan 0.000 0.682 515 V N -3.400 116.491 119.914 -0.038 0.000 2.562 515 V HA 0.527 4.647 4.120 -0.000 0.000 0.274 515 V C -2.537 173.512 176.094 -0.077 0.000 1.075 515 V CA -1.366 60.899 62.300 -0.059 0.000 1.204 515 V CB 0.287 32.062 31.823 -0.079 0.000 1.478 515 V HN 0.319 nan 8.190 nan 0.000 0.622 516 P HA 0.147 nan 4.420 nan 0.000 0.269 516 P C -0.357 176.537 177.300 -0.677 0.000 1.211 516 P CA 0.509 63.243 63.100 -0.610 0.000 0.781 516 P CB 0.514 31.416 31.700 -1.330 0.000 0.877 517 K N 1.661 121.671 120.400 -0.649 0.000 2.579 517 K HA 0.206 4.526 4.320 -0.000 0.000 0.225 517 K C -0.668 175.644 176.600 -0.481 0.000 0.992 517 K CA -0.292 55.773 56.287 -0.369 0.000 1.018 517 K CB 0.606 33.179 32.500 0.122 0.000 1.249 517 K HN 0.470 nan 8.250 nan 0.000 0.489 518 W N 1.185 122.209 121.300 -0.461 0.000 2.093 518 W HA 0.093 4.753 4.660 -0.000 0.000 0.352 518 W C 1.334 177.872 176.519 0.030 0.000 1.294 518 W CA -0.513 56.658 57.345 -0.289 0.000 1.290 518 W CB 0.431 29.571 29.460 -0.534 0.000 1.149 518 W HN 0.359 nan 8.180 nan 0.000 0.606 519 S N 2.738 118.620 115.700 0.303 0.000 2.563 519 S HA -0.090 4.380 4.470 -0.000 0.000 0.294 519 S C 1.278 176.047 174.600 0.281 0.000 1.279 519 S CA -0.182 58.140 58.200 0.202 0.000 1.069 519 S CB 0.019 63.284 63.200 0.108 0.000 0.828 519 S HN 0.508 nan 8.310 nan 0.000 0.497 520 I N 2.727 123.437 120.570 0.235 0.000 2.399 520 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 520 I C 1.894 178.107 176.117 0.161 0.000 1.146 520 I CA 1.439 62.888 61.300 0.248 0.000 1.412 520 I CB -0.445 37.654 38.000 0.164 0.000 1.076 520 I HN 0.601 nan 8.210 nan 0.000 0.432 521 K N 1.678 122.099 120.400 0.036 0.000 2.155 521 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 521 K C 2.196 178.873 176.600 0.127 0.000 1.052 521 K CA 1.503 57.783 56.287 -0.011 0.000 0.948 521 K CB -0.131 32.257 32.500 -0.187 0.000 0.728 521 K HN 0.509 nan 8.250 nan 0.000 0.448 522 K N 0.260 120.731 120.400 0.119 0.000 2.262 522 K HA -0.104 4.216 4.320 -0.000 0.000 0.200 522 K C 1.798 178.418 176.600 0.033 0.000 1.049 522 K CA 0.190 56.502 56.287 0.040 0.000 0.979 522 K CB -0.049 32.425 32.500 -0.044 0.000 0.773 522 K HN 0.107 nan 8.250 nan 0.000 0.474 523 W N 2.390 123.690 121.300 -0.000 0.000 2.315 523 W HA -0.227 4.433 4.660 -0.000 0.000 0.323 523 W C 1.644 178.153 176.519 -0.016 0.000 1.233 523 W CA 1.485 58.840 57.345 0.016 0.000 1.267 523 W CB -0.781 28.771 29.460 0.153 0.000 1.160 523 W HN 0.097 nan 8.180 nan 0.000 0.474 524 L N 0.695 122.120 121.223 0.336 0.000 2.034 524 L HA -0.310 4.030 4.340 -0.000 0.000 0.217 524 L C 2.466 179.410 176.870 0.123 0.000 1.077 524 L CA 2.271 57.221 54.840 0.183 0.000 0.769 524 L CB -1.379 40.779 42.059 0.165 0.000 0.890 524 L HN 0.050 nan 8.230 nan 0.000 0.435 525 S N -0.690 115.064 115.700 0.089 0.000 2.631 525 S HA 0.134 4.604 4.470 -0.000 0.000 0.217 525 S C 0.680 175.265 174.600 -0.025 0.000 0.958 525 S CA -0.468 57.749 58.200 0.027 0.000 0.920 525 S CB -0.583 62.627 63.200 0.016 0.000 0.776 525 S HN 0.202 nan 8.310 nan 0.000 0.517 526 L N 2.304 123.509 121.223 -0.031 0.000 2.514 526 L HA 0.249 4.589 4.340 -0.000 0.000 0.280 526 L C -2.131 174.713 176.870 -0.043 0.000 1.223 526 L CA -1.786 52.994 54.840 -0.100 0.000 0.864 526 L CB -0.291 41.676 42.059 -0.154 0.000 1.118 526 L HN 0.092 nan 8.230 nan 0.000 0.494 527 P HA -0.020 nan 4.420 nan 0.000 0.256 527 P C 0.779 178.074 177.300 -0.008 0.000 1.173 527 P CA 1.143 64.223 63.100 -0.033 0.000 0.768 527 P CB 0.579 32.255 31.700 -0.041 0.000 0.758 528 G N 2.691 111.493 108.800 0.003 0.000 2.611 528 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.208 528 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.208 528 G C 0.219 175.136 174.900 0.027 0.000 1.201 528 G CA -0.394 44.715 45.100 0.016 0.000 0.739 528 G HN 0.561 nan 8.290 nan 0.000 0.528 529 E N 2.004 122.230 120.200 0.042 0.000 2.529 529 E HA 0.406 4.756 4.350 -0.000 0.000 0.259 529 E C 1.454 178.079 176.600 0.042 0.000 0.966 529 E CA 1.225 57.662 56.400 0.062 0.000 0.937 529 E CB 0.759 30.527 29.700 0.113 0.000 0.923 529 E HN 0.891 nan 8.360 nan 0.000 0.468 530 T N 0.408 114.980 114.554 0.031 0.000 3.092 530 T HA 0.257 4.607 4.350 -0.000 0.000 0.273 530 T C 0.746 175.450 174.700 0.007 0.000 0.898 530 T CA -0.458 61.653 62.100 0.018 0.000 0.868 530 T CB 0.171 69.049 68.868 0.017 0.000 1.228 530 T HN 0.225 nan 8.240 nan 0.000 0.555 531 R N 2.352 122.851 120.500 -0.001 0.000 2.774 531 R HA 0.423 4.763 4.340 -0.000 0.000 0.269 531 R C -2.452 173.822 176.300 -0.043 0.000 1.068 531 R CA -1.423 54.663 56.100 -0.023 0.000 1.180 531 R CB 0.064 30.340 30.300 -0.041 0.000 1.077 531 R HN 0.255 nan 8.270 nan 0.000 0.513 532 P HA 0.120 nan 4.420 nan 0.000 0.276 532 P C -1.294 175.928 177.300 -0.130 0.000 1.261 532 P CA -0.374 62.679 63.100 -0.079 0.000 0.800 532 P CB 0.594 32.247 31.700 -0.079 0.000 1.066 533 L N 1.581 122.708 121.223 -0.159 0.000 2.386 533 L HA 0.607 4.947 4.340 -0.000 0.000 0.271 533 L C -1.162 175.551 176.870 -0.262 0.000 0.993 533 L CA -0.688 54.016 54.840 -0.226 0.000 0.819 533 L CB 0.691 42.624 42.059 -0.210 0.000 1.294 533 L HN 0.277 nan 8.230 nan 0.000 0.414 534 I N 6.039 126.449 120.570 -0.267 0.000 2.588 534 I HA 0.191 4.361 4.170 -0.000 0.000 0.278 534 I C -0.970 175.021 176.117 -0.210 0.000 1.144 534 I CA -0.544 60.588 61.300 -0.280 0.000 1.074 534 I CB 1.608 39.502 38.000 -0.176 0.000 1.235 534 I HN 0.466 nan 8.210 nan 0.000 0.472 535 L N 5.140 126.194 121.223 -0.282 0.000 2.559 535 L HA 0.010 4.350 4.340 -0.000 0.000 0.274 535 L C 1.561 178.435 176.870 0.008 0.000 1.205 535 L CA -0.146 54.582 54.840 -0.185 0.000 0.907 535 L CB 0.051 41.974 42.059 -0.227 0.000 1.153 535 L HN 0.782 nan 8.230 nan 0.000 0.490 536 C N -0.114 119.191 119.300 0.009 0.000 2.514 536 C HA 0.233 4.693 4.460 -0.000 0.000 0.271 536 C C 0.577 175.663 174.990 0.161 0.000 1.399 536 C CA -0.297 58.775 59.018 0.089 0.000 1.765 536 C CB -1.204 26.491 27.740 -0.075 0.000 1.893 536 C HN 0.858 nan 8.230 nan 0.000 0.531 537 E N -0.267 119.972 120.200 0.066 0.000 2.311 537 E HA 0.545 4.895 4.350 -0.000 0.000 0.281 537 E C -1.417 175.180 176.600 -0.004 0.000 0.905 537 E CA -0.337 56.104 56.400 0.068 0.000 0.778 537 E CB 1.909 31.467 29.700 -0.238 0.000 1.240 537 E HN 0.541 nan 8.360 nan 0.000 0.410 538 Y N -0.481 119.865 120.300 0.076 0.000 2.670 538 Y HA 0.686 5.236 4.550 -0.000 0.000 0.334 538 Y C -0.643 175.481 175.900 0.372 0.000 1.185 538 Y CA -1.388 56.790 58.100 0.129 0.000 1.053 538 Y CB 0.559 38.894 38.460 -0.208 0.000 1.298 538 Y HN 0.655 nan 8.280 nan 0.000 0.459 539 A N 1.578 124.500 122.820 0.170 0.000 2.360 539 A HA -0.263 4.057 4.320 -0.000 0.000 0.289 539 A C -0.266 177.507 177.584 0.316 0.000 1.437 539 A CA 0.949 53.077 52.037 0.150 0.000 0.734 539 A CB -2.704 16.245 19.000 -0.084 0.000 1.145 539 A HN 1.190 nan 8.150 nan 0.000 0.374 540 H N 0.840 120.042 119.070 0.220 0.000 3.440 540 H HA 0.215 4.771 4.556 -0.000 0.000 0.232 540 H C 1.450 176.855 175.328 0.128 0.000 1.130 540 H CA 0.278 56.449 56.048 0.205 0.000 1.459 540 H CB 0.187 29.917 29.762 -0.053 0.000 1.607 540 H HN 0.862 nan 8.280 nan 0.000 0.515 541 A N 5.754 128.633 122.820 0.098 0.000 2.176 541 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 541 A C 1.034 178.522 177.584 -0.160 0.000 1.327 541 A CA -0.026 51.982 52.037 -0.048 0.000 1.015 541 A CB -0.668 18.316 19.000 -0.027 0.000 0.818 541 A HN 0.753 nan 8.150 nan 0.000 0.500 542 M N 1.058 120.463 119.600 -0.324 0.000 2.220 542 M HA 0.397 4.877 4.480 -0.000 0.000 0.343 542 M C 1.149 177.253 176.300 -0.326 0.000 1.470 542 M CA 1.160 56.261 55.300 -0.332 0.000 1.161 542 M CB -0.301 32.041 32.600 -0.430 0.000 1.737 542 M HN 0.742 nan 8.290 nan 0.000 0.464 543 G N 4.498 113.100 108.800 -0.331 0.000 2.574 543 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.286 543 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.286 543 G C -0.165 174.241 174.900 -0.824 0.000 1.212 543 G CA 0.250 44.978 45.100 -0.620 0.000 0.979 543 G HN 0.856 nan 8.290 nan 0.000 0.557 544 N N 1.173 119.250 118.700 -1.038 0.000 2.605 544 N HA 0.516 5.256 4.740 -0.000 0.000 0.258 544 N C -0.005 175.228 175.510 -0.462 0.000 1.156 544 N CA 1.003 53.591 53.050 -0.769 0.000 1.008 544 N CB 0.408 38.456 38.487 -0.732 0.000 1.354 544 N HN 0.703 nan 8.380 nan 0.000 0.509 545 S N 1.765 117.273 115.700 -0.321 0.000 2.971 545 S HA 0.636 5.106 4.470 -0.000 0.000 0.320 545 S C -0.142 174.376 174.600 -0.137 0.000 1.111 545 S CA -0.448 57.624 58.200 -0.212 0.000 0.870 545 S CB 0.349 63.444 63.200 -0.176 0.000 1.331 545 S HN 0.434 nan 8.310 nan 0.000 0.635 546 L N 0.213 121.398 121.223 -0.062 0.000 4.447 546 L HA -0.075 4.265 4.340 -0.000 0.000 0.400 546 L C 0.456 177.356 176.870 0.050 0.000 1.110 546 L CA 0.720 55.562 54.840 0.004 0.000 1.010 546 L CB -1.687 40.289 42.059 -0.137 0.000 2.154 546 L HN 0.668 nan 8.230 nan 0.000 0.685 547 G N -0.554 108.240 108.800 -0.011 0.000 2.439 547 G HA2 0.490 4.450 3.960 -0.000 0.000 0.298 547 G HA3 0.490 4.450 3.960 -0.000 0.000 0.298 547 G C 1.149 176.057 174.900 0.013 0.000 1.044 547 G CA 0.402 45.466 45.100 -0.059 0.000 1.168 547 G HN 1.151 nan 8.290 nan 0.000 0.433 548 G N 2.245 111.084 108.800 0.066 0.000 2.421 548 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.188 548 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.188 548 G C 1.039 176.090 174.900 0.252 0.000 1.001 548 G CA 0.401 45.572 45.100 0.119 0.000 0.693 548 G HN 0.541 nan 8.290 nan 0.000 0.479 549 F N 2.306 122.361 119.950 0.174 0.000 2.060 549 F HA -0.201 4.326 4.527 -0.000 0.000 0.293 549 F C 2.898 178.891 175.800 0.322 0.000 1.096 549 F CA 3.555 61.716 58.000 0.267 0.000 1.241 549 F CB -0.683 38.404 39.000 0.144 0.000 0.959 549 F HN 0.425 nan 8.300 nan 0.000 0.499 550 A N -0.757 122.237 122.820 0.290 0.000 1.917 550 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 550 A C 2.296 179.916 177.584 0.060 0.000 1.182 550 A CA 2.121 54.264 52.037 0.176 0.000 0.633 550 A CB -0.911 18.199 19.000 0.183 0.000 0.819 550 A HN 0.490 nan 8.150 nan 0.000 0.448 551 K N -1.737 118.673 120.400 0.017 0.000 2.089 551 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 551 K C 1.831 178.246 176.600 -0.308 0.000 1.048 551 K CA 2.133 58.347 56.287 -0.122 0.000 0.926 551 K CB -0.371 32.032 32.500 -0.161 0.000 0.714 551 K HN 0.626 nan 8.250 nan 0.000 0.448 552 Y N -0.569 119.508 120.300 -0.372 0.000 2.036 552 Y HA -0.261 4.289 4.550 -0.000 0.000 0.273 552 Y C 2.052 177.176 175.900 -1.294 0.000 1.135 552 Y CA 1.722 59.292 58.100 -0.883 0.000 1.106 552 Y CB -0.846 37.046 38.460 -0.947 0.000 0.976 552 Y HN 0.181 nan 8.280 nan 0.000 0.483 553 W N 0.565 121.436 121.300 -0.715 0.000 2.401 553 W HA -0.219 4.441 4.660 -0.000 0.000 0.264 553 W C 2.460 178.826 176.519 -0.256 0.000 1.209 553 W CA 1.608 58.670 57.345 -0.473 0.000 1.170 553 W CB -0.422 28.877 29.460 -0.267 0.000 1.134 553 W HN 0.253 nan 8.180 nan 0.000 0.587 554 Q N -0.180 119.526 119.800 -0.156 0.000 2.107 554 Q HA -0.060 4.280 4.340 -0.000 0.000 0.195 554 Q C 2.365 178.325 176.000 -0.067 0.000 0.964 554 Q CA 1.333 57.105 55.803 -0.051 0.000 0.833 554 Q CB -0.336 28.378 28.738 -0.040 0.000 0.910 554 Q HN 0.197 nan 8.270 nan 0.000 0.465 555 A N 1.100 123.798 122.820 -0.205 0.000 1.851 555 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 555 A C 1.788 179.353 177.584 -0.031 0.000 1.195 555 A CA 1.630 53.536 52.037 -0.218 0.000 0.622 555 A CB -1.142 17.630 19.000 -0.379 0.000 0.831 555 A HN 0.423 nan 8.150 nan 0.000 0.444 556 F N -0.112 119.689 119.950 -0.248 0.000 2.111 556 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 556 F C 2.417 178.142 175.800 -0.125 0.000 1.088 556 F CA 1.715 59.543 58.000 -0.287 0.000 1.243 556 F CB -1.020 37.619 39.000 -0.602 0.000 0.996 556 F HN 0.179 nan 8.300 nan 0.000 0.483 557 R N -0.653 119.927 120.500 0.132 0.000 2.276 557 R HA -0.028 4.312 4.340 -0.000 0.000 0.203 557 R C 2.028 178.398 176.300 0.117 0.000 1.017 557 R CA 0.378 56.546 56.100 0.113 0.000 1.010 557 R CB -0.134 30.229 30.300 0.104 0.000 0.900 557 R HN 0.345 nan 8.270 nan 0.000 0.469 558 Q N -0.972 118.938 119.800 0.184 0.000 2.402 558 Q HA 0.076 4.416 4.340 -0.000 0.000 0.231 558 Q C -0.644 175.503 176.000 0.245 0.000 0.888 558 Q CA 0.433 56.372 55.803 0.227 0.000 0.938 558 Q CB 0.781 29.725 28.738 0.342 0.000 1.086 558 Q HN 0.168 nan 8.270 nan 0.000 0.543 559 Y N 0.370 120.675 120.300 0.008 0.000 2.342 559 Y HA 0.259 4.809 4.550 -0.000 0.000 0.338 559 Y C -1.687 174.203 175.900 -0.018 0.000 0.965 559 Y CA -2.944 55.156 58.100 0.000 0.000 1.159 559 Y CB 1.129 39.595 38.460 0.011 0.000 1.157 559 Y HN 0.047 nan 8.280 nan 0.000 0.486 560 P HA -0.193 nan 4.420 nan 0.000 0.214 560 P C 1.314 178.617 177.300 0.005 0.000 1.163 560 P CA 1.917 65.024 63.100 0.011 0.000 0.889 560 P CB 0.341 32.031 31.700 -0.016 0.000 0.790 561 R N -0.920 119.595 120.500 0.025 0.000 2.241 561 R HA -0.004 4.336 4.340 -0.000 0.000 0.224 561 R C 0.608 176.889 176.300 -0.033 0.000 1.101 561 R CA 0.474 56.574 56.100 0.001 0.000 0.995 561 R CB -0.735 29.574 30.300 0.016 0.000 0.870 561 R HN 0.298 nan 8.270 nan 0.000 0.463 562 L N 2.059 123.285 121.223 0.005 0.000 2.295 562 L HA 0.120 4.460 4.340 -0.000 0.000 0.288 562 L C 0.809 177.521 176.870 -0.263 0.000 1.079 562 L CA 0.184 54.965 54.840 -0.098 0.000 0.830 562 L CB 1.030 43.116 42.059 0.046 0.000 1.200 562 L HN 0.036 nan 8.230 nan 0.000 0.438 563 Q N 2.897 122.454 119.800 -0.405 0.000 2.172 563 Q HA 0.341 4.681 4.340 -0.000 0.000 0.217 563 Q C 0.704 176.290 176.000 -0.692 0.000 0.832 563 Q CA 0.015 55.557 55.803 -0.435 0.000 1.010 563 Q CB 1.290 29.872 28.738 -0.261 0.000 1.133 563 Q HN 0.967 nan 8.270 nan 0.000 0.489 564 G N -0.436 107.572 108.800 -1.320 0.000 2.352 564 G HA2 0.195 4.155 3.960 -0.000 0.000 0.324 564 G HA3 0.195 4.155 3.960 -0.000 0.000 0.324 564 G C -0.494 173.601 174.900 -1.342 0.000 1.249 564 G CA -0.697 43.435 45.100 -1.613 0.000 1.053 564 G HN 0.478 nan 8.290 nan 0.000 0.492 565 G N -2.234 106.006 108.800 -0.933 0.000 2.342 565 G HA2 0.659 4.619 3.960 -0.000 0.000 0.297 565 G HA3 0.659 4.619 3.960 -0.000 0.000 0.297 565 G C -1.980 172.717 174.900 -0.338 0.000 1.313 565 G CA -0.349 44.359 45.100 -0.653 0.000 0.830 565 G HN 1.169 nan 8.290 nan 0.000 0.506 566 F N 0.571 120.654 119.950 0.222 0.000 2.496 566 F HA 0.515 5.042 4.527 -0.000 0.000 0.341 566 F C 0.630 176.781 175.800 0.585 0.000 1.134 566 F CA -0.752 57.485 58.000 0.396 0.000 0.968 566 F CB 2.125 41.246 39.000 0.201 0.000 1.205 566 F HN 0.271 nan 8.300 nan 0.000 0.436 567 V N 3.391 123.730 119.914 0.708 0.000 2.872 567 V HA -0.102 4.018 4.120 -0.000 0.000 0.307 567 V C -0.317 176.045 176.094 0.447 0.000 1.072 567 V CA -0.174 62.384 62.300 0.431 0.000 1.148 567 V CB 0.882 32.909 31.823 0.340 0.000 0.954 567 V HN 0.768 nan 8.190 nan 0.000 0.490 568 W N 6.360 127.855 121.300 0.324 0.000 2.318 568 W HA 0.463 5.123 4.660 -0.000 0.000 0.315 568 W C -0.850 175.863 176.519 0.324 0.000 1.033 568 W CA -0.724 56.838 57.345 0.362 0.000 1.275 568 W CB 1.542 31.322 29.460 0.532 0.000 1.250 568 W HN 0.911 nan 8.180 nan 0.000 0.421 569 D N 3.042 123.296 120.400 -0.243 0.000 2.989 569 D HA 0.175 4.815 4.640 -0.000 0.000 0.284 569 D C 0.542 176.730 176.300 -0.186 0.000 1.212 569 D CA -0.431 53.241 54.000 -0.546 0.000 1.055 569 D CB 0.248 40.141 40.800 -1.511 0.000 1.351 569 D HN 0.415 nan 8.370 nan 0.000 0.611 570 W N 0.350 121.402 121.300 -0.414 0.000 2.539 570 W HA 0.222 4.882 4.660 -0.000 0.000 0.315 570 W C -0.209 176.151 176.519 -0.265 0.000 1.148 570 W CA 0.688 57.849 57.345 -0.306 0.000 1.403 570 W CB 0.222 29.525 29.460 -0.262 0.000 1.168 570 W HN 0.152 nan 8.180 nan 0.000 0.489 571 V N 1.492 121.287 119.914 -0.199 0.000 2.815 571 V HA 0.283 4.403 4.120 -0.000 0.000 0.314 571 V C -0.505 175.491 176.094 -0.164 0.000 1.064 571 V CA -1.037 61.085 62.300 -0.297 0.000 0.952 571 V CB 1.358 33.116 31.823 -0.109 0.000 1.020 571 V HN -0.065 nan 8.190 nan 0.000 0.439 572 D N 1.820 122.126 120.400 -0.155 0.000 2.382 572 D HA 0.152 4.792 4.640 -0.000 0.000 0.245 572 D C 0.235 176.550 176.300 0.026 0.000 1.120 572 D CA 0.286 54.256 54.000 -0.051 0.000 0.890 572 D CB 1.337 42.146 40.800 0.014 0.000 1.201 572 D HN 0.603 nan 8.370 nan 0.000 0.433 573 Q N 0.759 120.507 119.800 -0.086 0.000 2.399 573 Q HA 0.101 4.441 4.340 -0.000 0.000 0.307 573 Q C -0.182 175.867 176.000 0.082 0.000 0.933 573 Q CA -0.293 55.305 55.803 -0.341 0.000 0.995 573 Q CB 0.219 28.758 28.738 -0.331 0.000 1.191 573 Q HN 0.337 nan 8.270 nan 0.000 0.426 574 S N -0.281 115.586 115.700 0.278 0.000 2.554 574 S HA 0.580 5.050 4.470 -0.000 0.000 0.278 574 S C -0.136 174.672 174.600 0.348 0.000 1.242 574 S CA -0.742 57.675 58.200 0.362 0.000 1.051 574 S CB 1.319 64.698 63.200 0.297 0.000 0.986 574 S HN 0.251 nan 8.310 nan 0.000 0.502 575 L N 2.449 123.808 121.223 0.228 0.000 2.331 575 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 575 L C -0.104 176.726 176.870 -0.067 0.000 1.022 575 L CA -1.007 53.855 54.840 0.037 0.000 0.812 575 L CB 1.243 43.220 42.059 -0.136 0.000 1.257 575 L HN 0.633 nan 8.230 nan 0.000 0.435 576 I N 2.310 122.778 120.570 -0.171 0.000 2.474 576 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 576 I C 0.130 175.918 176.117 -0.549 0.000 1.048 576 I CA 0.106 61.185 61.300 -0.369 0.000 1.383 576 I CB 0.677 38.483 38.000 -0.324 0.000 1.412 576 I HN 0.580 nan 8.210 nan 0.000 0.531 577 K N 4.800 124.570 120.400 -1.049 0.000 2.378 577 K HA 0.602 4.922 4.320 -0.000 0.000 0.244 577 K C -1.664 174.153 176.600 -1.306 0.000 1.039 577 K CA -0.843 54.735 56.287 -1.181 0.000 0.863 577 K CB 2.101 33.608 32.500 -1.655 0.000 1.326 577 K HN 0.231 nan 8.250 nan 0.000 0.460 578 Y N 0.615 120.608 120.300 -0.513 0.000 2.446 578 Y HA 0.160 4.710 4.550 -0.000 0.000 0.345 578 Y C 0.162 176.183 175.900 0.202 0.000 0.984 578 Y CA -1.095 56.948 58.100 -0.094 0.000 1.058 578 Y CB 1.226 39.647 38.460 -0.066 0.000 1.220 578 Y HN 0.675 nan 8.280 nan 0.000 0.455 579 D N -0.074 120.574 120.400 0.414 0.000 2.478 579 D HA 0.077 4.717 4.640 -0.000 0.000 0.274 579 D C 0.698 177.103 176.300 0.175 0.000 1.234 579 D CA -0.251 53.912 54.000 0.272 0.000 1.069 579 D CB 0.544 41.439 40.800 0.158 0.000 1.113 579 D HN 0.544 nan 8.370 nan 0.000 0.571 580 E N -0.458 119.804 120.200 0.103 0.000 2.077 580 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 580 E C 1.157 177.793 176.600 0.060 0.000 0.989 580 E CA 0.943 57.382 56.400 0.065 0.000 0.800 580 E CB -0.315 29.407 29.700 0.037 0.000 0.746 580 E HN 0.465 nan 8.360 nan 0.000 0.452 581 N N 0.209 118.951 118.700 0.069 0.000 2.461 581 N HA 0.013 4.753 4.740 -0.000 0.000 0.188 581 N C 0.867 176.428 175.510 0.084 0.000 1.134 581 N CA 0.872 53.959 53.050 0.061 0.000 0.878 581 N CB 0.602 39.119 38.487 0.051 0.000 0.972 581 N HN 0.225 nan 8.380 nan 0.000 0.456 582 G N 1.078 109.954 108.800 0.127 0.000 2.256 582 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.272 582 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.272 582 G C -0.530 174.548 174.900 0.297 0.000 1.076 582 G CA -0.415 44.796 45.100 0.185 0.000 0.882 582 G HN 0.277 nan 8.290 nan 0.000 0.497 583 N N 1.122 119.978 118.700 0.261 0.000 2.421 583 N HA 0.485 5.225 4.740 -0.000 0.000 0.285 583 N C -2.422 173.134 175.510 0.076 0.000 1.027 583 N CA -1.302 51.851 53.050 0.172 0.000 0.918 583 N CB 2.416 40.973 38.487 0.118 0.000 1.152 583 N HN 0.165 nan 8.380 nan 0.000 0.485 584 P HA 0.231 nan 4.420 nan 0.000 0.278 584 P C -0.645 176.533 177.300 -0.203 0.000 1.238 584 P CA -0.275 62.474 63.100 -0.586 0.000 0.794 584 P CB 0.639 32.074 31.700 -0.442 0.000 0.955 585 W N 0.333 121.341 121.300 -0.486 0.000 3.544 585 W HA 0.278 4.938 4.660 -0.000 0.000 0.326 585 W C -1.408 174.918 176.519 -0.322 0.000 1.137 585 W CA -0.966 56.135 57.345 -0.406 0.000 1.252 585 W CB 0.031 29.108 29.460 -0.637 0.000 1.302 585 W HN 0.146 nan 8.180 nan 0.000 0.467 586 S N 2.682 118.414 115.700 0.053 0.000 2.811 586 S HA 0.277 4.747 4.470 -0.000 0.000 0.325 586 S C 0.575 175.292 174.600 0.196 0.000 1.224 586 S CA 0.592 58.838 58.200 0.077 0.000 1.125 586 S CB 0.146 63.454 63.200 0.180 0.000 0.867 586 S HN 0.580 nan 8.310 nan 0.000 0.512 587 A N 3.384 126.179 122.820 -0.041 0.000 2.279 587 A HA 0.769 5.089 4.320 -0.000 0.000 0.303 587 A C -0.299 177.512 177.584 0.378 0.000 1.108 587 A CA -0.698 51.377 52.037 0.062 0.000 0.830 587 A CB 0.449 19.205 19.000 -0.407 0.000 1.106 587 A HN 0.814 nan 8.150 nan 0.000 0.493 588 Y N -0.630 119.953 120.300 0.472 0.000 2.773 588 Y HA 0.751 5.301 4.550 -0.000 0.000 0.323 588 Y C 0.546 176.699 175.900 0.420 0.000 1.183 588 Y CA -1.885 56.444 58.100 0.380 0.000 1.144 588 Y CB -0.090 38.453 38.460 0.138 0.000 1.340 588 Y HN 0.877 nan 8.280 nan 0.000 0.531 589 G N -0.116 108.953 108.800 0.447 0.000 2.265 589 G HA2 0.399 4.359 3.960 -0.000 0.000 0.240 589 G HA3 0.399 4.359 3.960 -0.000 0.000 0.240 589 G C 0.903 176.098 174.900 0.492 0.000 1.270 589 G CA 0.349 45.617 45.100 0.281 0.000 0.901 589 G HN 1.986 nan 8.290 nan 0.000 0.507 590 G N 2.317 111.410 108.800 0.487 0.000 2.234 590 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 590 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 590 G C 0.867 175.995 174.900 0.379 0.000 0.997 590 G CA 0.585 45.923 45.100 0.397 0.000 0.623 590 G HN 0.644 nan 8.290 nan 0.000 0.514 591 D N -0.281 120.372 120.400 0.422 0.000 2.392 591 D HA 0.192 4.832 4.640 -0.000 0.000 0.228 591 D C 1.228 177.435 176.300 -0.156 0.000 1.003 591 D CA 0.557 54.649 54.000 0.153 0.000 0.917 591 D CB -0.208 40.641 40.800 0.083 0.000 0.890 591 D HN 0.492 nan 8.370 nan 0.000 0.532 592 F N -1.622 118.465 119.950 0.229 0.000 2.781 592 F HA 0.303 4.830 4.527 -0.000 0.000 0.322 592 F C 1.780 177.673 175.800 0.155 0.000 1.108 592 F CA -0.069 58.023 58.000 0.153 0.000 1.179 592 F CB 1.064 40.145 39.000 0.134 0.000 1.072 592 F HN -0.034 nan 8.300 nan 0.000 0.545 593 G N 0.225 109.214 108.800 0.315 0.000 2.194 593 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 593 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 593 G C -0.295 174.760 174.900 0.258 0.000 0.987 593 G CA -0.050 45.193 45.100 0.238 0.000 0.635 593 G HN 0.328 nan 8.290 nan 0.000 0.520 594 D N 1.258 121.865 120.400 0.345 0.000 2.472 594 D HA 0.389 5.029 4.640 -0.000 0.000 0.248 594 D C -0.037 176.408 176.300 0.242 0.000 1.174 594 D CA 0.830 55.022 54.000 0.319 0.000 0.883 594 D CB 0.919 41.975 40.800 0.427 0.000 1.149 594 D HN 0.103 nan 8.370 nan 0.000 0.488 595 T N 2.948 117.614 114.554 0.186 0.000 2.921 595 T HA 0.469 4.819 4.350 -0.000 0.000 0.297 595 T C -2.215 172.544 174.700 0.099 0.000 1.013 595 T CA -1.006 61.174 62.100 0.133 0.000 0.990 595 T CB 2.036 70.973 68.868 0.116 0.000 1.023 595 T HN 0.363 nan 8.240 nan 0.000 0.447 596 P HA 0.506 nan 4.420 nan 0.000 0.280 596 P C -1.089 176.244 177.300 0.055 0.000 1.272 596 P CA -0.695 62.435 63.100 0.049 0.000 0.819 596 P CB 0.894 32.595 31.700 0.002 0.000 1.122 597 N N -0.884 117.860 118.700 0.073 0.000 2.571 597 N HA 0.180 4.920 4.740 -0.000 0.000 0.273 597 N C -1.056 174.521 175.510 0.112 0.000 1.340 597 N CA -0.495 52.624 53.050 0.114 0.000 0.789 597 N CB 1.615 40.230 38.487 0.214 0.000 1.514 597 N HN 0.203 nan 8.380 nan 0.000 0.499 598 D N -0.340 120.207 120.400 0.245 0.000 2.571 598 D HA 0.178 4.818 4.640 -0.000 0.000 0.239 598 D C 0.385 176.823 176.300 0.230 0.000 1.267 598 D CA -0.153 54.013 54.000 0.277 0.000 0.823 598 D CB 1.069 42.038 40.800 0.280 0.000 1.056 598 D HN 0.644 nan 8.370 nan 0.000 0.494 599 R N 0.158 120.716 120.500 0.096 0.000 3.934 599 R HA -0.338 4.002 4.340 -0.000 0.000 0.384 599 R C 0.674 176.652 176.300 -0.536 0.000 0.241 599 R CA 1.369 57.366 56.100 -0.172 0.000 1.241 599 R CB -1.460 28.648 30.300 -0.320 0.000 0.999 599 R HN 0.070 nan 8.270 nan 0.000 0.562 600 Q N 0.459 119.717 119.800 -0.904 0.000 2.403 600 Q HA 0.250 4.590 4.340 -0.000 0.000 0.203 600 Q C 1.325 177.000 176.000 -0.541 0.000 0.932 600 Q CA 0.598 55.854 55.803 -0.911 0.000 0.945 600 Q CB 0.088 28.146 28.738 -1.133 0.000 1.045 600 Q HN 0.371 nan 8.270 nan 0.000 0.511 601 F N 0.738 120.489 119.950 -0.332 0.000 2.494 601 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 601 F C 1.684 177.450 175.800 -0.057 0.000 1.106 601 F CA 0.164 58.103 58.000 -0.101 0.000 1.452 601 F CB -0.316 38.706 39.000 0.037 0.000 1.085 601 F HN 0.357 nan 8.300 nan 0.000 0.569 602 C N -1.265 117.828 119.300 -0.346 0.000 2.573 602 C HA 0.353 4.813 4.460 -0.000 0.000 0.273 602 C C 0.746 175.602 174.990 -0.225 0.000 1.346 602 C CA -0.510 58.164 59.018 -0.573 0.000 1.702 602 C CB -1.949 24.843 27.740 -1.580 0.000 1.751 602 C HN 0.220 nan 8.230 nan 0.000 0.583 603 M N 2.805 122.328 119.600 -0.127 0.000 2.142 603 M HA 0.391 4.871 4.480 -0.000 0.000 0.299 603 M C -0.594 175.680 176.300 -0.043 0.000 0.960 603 M CA 0.176 55.434 55.300 -0.070 0.000 0.920 603 M CB 1.227 33.793 32.600 -0.055 0.000 1.541 603 M HN 0.204 nan 8.290 nan 0.000 0.429 604 N N 1.665 120.351 118.700 -0.024 0.000 2.127 604 N HA 0.140 4.880 4.740 -0.000 0.000 0.229 604 N C -0.207 175.236 175.510 -0.113 0.000 1.374 604 N CA -0.172 52.860 53.050 -0.030 0.000 0.763 604 N CB 1.205 39.859 38.487 0.279 0.000 1.269 604 N HN 0.743 nan 8.380 nan 0.000 0.516 605 G N 0.091 108.758 108.800 -0.223 0.000 2.462 605 G HA2 0.530 4.490 3.960 -0.000 0.000 0.319 605 G HA3 0.530 4.490 3.960 -0.000 0.000 0.319 605 G C 0.933 175.524 174.900 -0.515 0.000 1.171 605 G CA -0.570 44.318 45.100 -0.353 0.000 0.920 605 G HN 0.065 nan 8.290 nan 0.000 0.499 606 L N -0.283 120.644 121.223 -0.494 0.000 2.551 606 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 606 L C 0.890 177.262 176.870 -0.830 0.000 1.153 606 L CA 0.342 54.896 54.840 -0.477 0.000 0.851 606 L CB -0.669 41.258 42.059 -0.220 0.000 0.959 606 L HN 0.382 nan 8.230 nan 0.000 0.451 607 V N -5.653 113.584 119.914 -1.129 0.000 3.181 607 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 607 V C -0.711 174.794 176.094 -0.981 0.000 1.214 607 V CA -1.172 60.495 62.300 -1.054 0.000 1.053 607 V CB 2.035 33.343 31.823 -0.860 0.000 1.069 607 V HN -0.205 nan 8.190 nan 0.000 0.441 608 F N 1.106 120.811 119.950 -0.409 0.000 2.371 608 F HA 0.734 5.261 4.527 -0.000 0.000 0.329 608 F C 1.737 177.440 175.800 -0.162 0.000 1.107 608 F CA 0.284 58.197 58.000 -0.145 0.000 1.137 608 F CB 1.623 40.618 39.000 -0.008 0.000 1.214 608 F HN 0.845 nan 8.300 nan 0.000 0.536 609 A N 1.153 124.060 122.820 0.144 0.000 2.054 609 A HA -0.264 4.056 4.320 -0.000 0.000 0.223 609 A C 1.551 179.096 177.584 -0.064 0.000 1.169 609 A CA 2.166 54.227 52.037 0.040 0.000 0.655 609 A CB -1.046 18.003 19.000 0.083 0.000 0.812 609 A HN 0.778 nan 8.150 nan 0.000 0.462 610 D N -3.169 117.222 120.400 -0.015 0.000 2.328 610 D HA 0.190 4.830 4.640 -0.000 0.000 0.221 610 D C 0.638 176.925 176.300 -0.022 0.000 1.072 610 D CA -0.111 53.858 54.000 -0.052 0.000 0.850 610 D CB -0.151 40.619 40.800 -0.050 0.000 0.922 610 D HN 0.211 nan 8.370 nan 0.000 0.516 611 R N -0.938 119.541 120.500 -0.036 0.000 3.878 611 R HA -0.132 4.208 4.340 -0.000 0.000 0.330 611 R C -0.356 175.936 176.300 -0.013 0.000 1.186 611 R CA 1.179 57.243 56.100 -0.059 0.000 0.885 611 R CB -3.266 27.040 30.300 0.010 0.000 1.377 611 R HN 0.534 nan 8.270 nan 0.000 0.523 612 T N -1.593 113.005 114.554 0.073 0.000 2.771 612 T HA 0.617 4.967 4.350 -0.000 0.000 0.291 612 T C -2.252 172.574 174.700 0.210 0.000 0.954 612 T CA -2.120 60.068 62.100 0.147 0.000 1.045 612 T CB 1.813 70.758 68.868 0.128 0.000 0.917 612 T HN -0.184 nan 8.240 nan 0.000 0.484 613 P HA 0.082 nan 4.420 nan 0.000 0.266 613 P C -0.195 177.180 177.300 0.125 0.000 1.193 613 P CA -0.001 63.112 63.100 0.023 0.000 0.770 613 P CB 0.233 31.953 31.700 0.034 0.000 0.836 614 H N 2.938 121.870 119.070 -0.230 0.000 2.502 614 H HA 0.162 4.718 4.556 -0.000 0.000 0.338 614 H C -1.140 174.104 175.328 -0.140 0.000 1.155 614 H CA -2.164 53.722 56.048 -0.269 0.000 1.237 614 H CB 1.265 30.823 29.762 -0.340 0.000 1.534 614 H HN 0.326 nan 8.280 nan 0.000 0.523 615 P HA -0.207 nan 4.420 nan 0.000 0.216 615 P C 1.264 178.557 177.300 -0.011 0.000 1.150 615 P CA 1.482 64.565 63.100 -0.027 0.000 0.843 615 P CB -0.026 31.641 31.700 -0.055 0.000 0.787 616 A N 0.174 122.993 122.820 -0.001 0.000 1.927 616 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 616 A C 2.164 179.696 177.584 -0.087 0.000 1.185 616 A CA 1.887 53.891 52.037 -0.056 0.000 0.639 616 A CB -1.779 17.176 19.000 -0.076 0.000 0.820 616 A HN 0.192 nan 8.150 nan 0.000 0.451 617 L N -0.250 120.947 121.223 -0.043 0.000 2.197 617 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 617 L C 2.374 179.256 176.870 0.019 0.000 1.095 617 L CA 2.634 57.474 54.840 -0.000 0.000 0.764 617 L CB -0.992 41.083 42.059 0.028 0.000 0.897 617 L HN 0.399 nan 8.230 nan 0.000 0.436 618 T N -1.313 113.258 114.554 0.028 0.000 2.857 618 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 618 T C 1.678 176.435 174.700 0.096 0.000 1.048 618 T CA 1.181 63.343 62.100 0.103 0.000 1.139 618 T CB 0.014 68.942 68.868 0.100 0.000 0.874 618 T HN 0.349 nan 8.240 nan 0.000 0.455 619 E N 1.625 121.820 120.200 -0.007 0.000 2.038 619 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 619 E C 2.205 178.728 176.600 -0.130 0.000 1.000 619 E CA 1.530 57.912 56.400 -0.030 0.000 0.803 619 E CB -0.541 29.110 29.700 -0.081 0.000 0.750 619 E HN 0.419 nan 8.360 nan 0.000 0.448 620 A N 1.069 123.678 122.820 -0.351 0.000 1.851 620 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 620 A C 2.189 179.564 177.584 -0.350 0.000 1.195 620 A CA 2.486 54.267 52.037 -0.427 0.000 0.622 620 A CB -0.881 17.897 19.000 -0.369 0.000 0.831 620 A HN 0.332 nan 8.150 nan 0.000 0.444 621 K N -1.030 119.240 120.400 -0.216 0.000 2.107 621 K HA -0.296 4.024 4.320 -0.000 0.000 0.211 621 K C 2.061 178.494 176.600 -0.278 0.000 1.049 621 K CA 2.164 58.346 56.287 -0.175 0.000 0.927 621 K CB -0.478 32.061 32.500 0.065 0.000 0.714 621 K HN 0.774 nan 8.250 nan 0.000 0.452 622 H N -0.290 118.555 119.070 -0.374 0.000 2.268 622 H HA -0.052 4.504 4.556 -0.000 0.000 0.304 622 H C 1.895 176.936 175.328 -0.478 0.000 1.064 622 H CA 1.585 57.275 56.048 -0.596 0.000 1.316 622 H CB 0.145 29.581 29.762 -0.545 0.000 1.386 622 H HN 0.306 nan 8.280 nan 0.000 0.496 623 Q N 0.560 120.009 119.800 -0.584 0.000 2.234 623 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 623 Q C 1.845 177.331 176.000 -0.856 0.000 0.980 623 Q CA 1.127 56.571 55.803 -0.598 0.000 0.869 623 Q CB -0.158 28.424 28.738 -0.260 0.000 0.912 623 Q HN 0.668 nan 8.270 nan 0.000 0.436 624 Q N 0.705 119.944 119.800 -0.935 0.000 2.320 624 Q HA 0.012 4.352 4.340 -0.000 0.000 0.201 624 Q C 0.419 175.841 176.000 -0.963 0.000 0.910 624 Q CA -0.263 54.854 55.803 -1.144 0.000 0.946 624 Q CB 0.323 28.458 28.738 -1.004 0.000 1.062 624 Q HN 0.416 nan 8.270 nan 0.000 0.503 625 Q N -0.853 118.496 119.800 -0.750 0.000 2.540 625 Q HA -0.054 4.286 4.340 -0.000 0.000 0.256 625 Q C -0.325 175.180 176.000 -0.826 0.000 1.084 625 Q CA 0.299 55.738 55.803 -0.606 0.000 0.956 625 Q CB 0.401 28.936 28.738 -0.338 0.000 1.303 625 Q HN 0.155 nan 8.270 nan 0.000 0.509 626 F N -0.404 119.285 119.950 -0.436 0.000 2.765 626 F HA 0.343 4.870 4.527 -0.000 0.000 0.302 626 F C -0.426 174.853 175.800 -0.869 0.000 1.111 626 F CA -0.120 57.390 58.000 -0.816 0.000 1.359 626 F CB 0.433 38.615 39.000 -1.364 0.000 1.097 626 F HN 0.296 nan 8.300 nan 0.000 0.577 627 F N -0.463 119.390 119.950 -0.163 0.000 2.588 627 F HA 0.546 5.073 4.527 -0.000 0.000 0.314 627 F C -0.292 175.178 175.800 -0.551 0.000 1.069 627 F CA -1.219 56.592 58.000 -0.314 0.000 0.931 627 F CB 1.398 40.224 39.000 -0.290 0.000 1.260 627 F HN -0.365 nan 8.300 nan 0.000 0.465 628 Q N 1.804 121.347 119.800 -0.428 0.000 2.394 628 Q HA 0.577 4.917 4.340 -0.000 0.000 0.273 628 Q C -1.653 174.021 176.000 -0.543 0.000 1.089 628 Q CA -0.670 54.898 55.803 -0.390 0.000 0.812 628 Q CB 3.198 31.871 28.738 -0.108 0.000 1.353 628 Q HN 0.534 nan 8.270 nan 0.000 0.438 629 F N 0.145 120.227 119.950 0.221 0.000 2.551 629 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 629 F C 0.315 176.341 175.800 0.377 0.000 1.089 629 F CA -0.802 57.397 58.000 0.331 0.000 0.915 629 F CB 2.031 41.340 39.000 0.516 0.000 1.186 629 F HN 0.123 nan 8.300 nan 0.000 0.456 630 R N 1.810 122.598 120.500 0.480 0.000 2.686 630 R HA 0.739 5.079 4.340 -0.000 0.000 0.283 630 R C -1.969 174.331 176.300 -0.001 0.000 0.978 630 R CA -1.203 55.051 56.100 0.258 0.000 0.897 630 R CB 2.821 33.204 30.300 0.139 0.000 1.192 630 R HN 0.652 nan 8.270 nan 0.000 0.457 631 L N 1.042 122.106 121.223 -0.265 0.000 2.404 631 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 631 L C -1.294 175.377 176.870 -0.331 0.000 0.980 631 L CA 0.105 54.592 54.840 -0.589 0.000 0.836 631 L CB 2.138 43.321 42.059 -1.460 0.000 1.238 631 L HN 0.456 nan 8.230 nan 0.000 0.408 632 S N 3.608 119.167 115.700 -0.235 0.000 2.774 632 S HA 0.726 5.196 4.470 -0.000 0.000 0.297 632 S C 0.386 174.901 174.600 -0.142 0.000 1.143 632 S CA 0.218 58.329 58.200 -0.148 0.000 1.090 632 S CB 0.727 63.874 63.200 -0.087 0.000 1.019 632 S HN 1.396 nan 8.310 nan 0.000 0.482 633 G N 4.567 113.285 108.800 -0.136 0.000 2.574 633 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.301 633 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.301 633 G C 0.246 175.059 174.900 -0.145 0.000 1.166 633 G CA 0.843 45.873 45.100 -0.117 0.000 0.971 633 G HN 0.678 nan 8.290 nan 0.000 0.542 634 Q N 0.985 120.704 119.800 -0.135 0.000 2.247 634 Q HA 0.376 4.716 4.340 -0.000 0.000 0.204 634 Q C 0.399 176.286 176.000 -0.188 0.000 0.872 634 Q CA 0.927 56.632 55.803 -0.163 0.000 0.951 634 Q CB 0.669 29.320 28.738 -0.146 0.000 1.099 634 Q HN 0.579 nan 8.270 nan 0.000 0.501 635 T N 0.495 114.948 114.554 -0.169 0.000 2.771 635 T HA 0.605 4.955 4.350 -0.000 0.000 0.281 635 T C -0.085 174.511 174.700 -0.172 0.000 0.982 635 T CA -0.544 61.467 62.100 -0.150 0.000 0.978 635 T CB 1.196 70.005 68.868 -0.098 0.000 0.930 635 T HN 0.072 nan 8.240 nan 0.000 0.447 636 I N 2.527 123.013 120.570 -0.139 0.000 2.354 636 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 636 I C 0.495 176.635 176.117 0.038 0.000 0.989 636 I CA -0.665 60.584 61.300 -0.086 0.000 1.188 636 I CB 1.444 39.423 38.000 -0.034 0.000 1.342 636 I HN 0.638 nan 8.210 nan 0.000 0.457 637 E N 6.819 127.072 120.200 0.088 0.000 2.081 637 E HA 0.368 4.718 4.350 -0.000 0.000 0.276 637 E C -1.362 175.335 176.600 0.161 0.000 0.950 637 E CA -0.595 55.867 56.400 0.102 0.000 0.776 637 E CB 1.430 31.168 29.700 0.063 0.000 1.094 637 E HN 0.379 nan 8.360 nan 0.000 0.402 638 V N 4.107 124.093 119.914 0.121 0.000 2.465 638 V HA 0.278 4.398 4.120 -0.000 0.000 0.279 638 V C 0.230 176.330 176.094 0.009 0.000 1.045 638 V CA -0.373 61.946 62.300 0.033 0.000 0.938 638 V CB 1.532 33.372 31.823 0.029 0.000 0.986 638 V HN 0.671 nan 8.190 nan 0.000 0.467 639 T N 3.556 118.090 114.554 -0.034 0.000 2.809 639 T HA 0.315 4.665 4.350 -0.000 0.000 0.284 639 T C -0.106 174.643 174.700 0.082 0.000 0.992 639 T CA -0.160 61.953 62.100 0.021 0.000 0.957 639 T CB 1.481 70.346 68.868 -0.005 0.000 0.942 639 T HN 0.740 nan 8.240 nan 0.000 0.439 640 S N 2.101 117.875 115.700 0.122 0.000 2.584 640 S HA 0.257 4.727 4.470 -0.000 0.000 0.273 640 S C 0.803 175.389 174.600 -0.024 0.000 1.311 640 S CA -0.396 57.879 58.200 0.124 0.000 1.034 640 S CB 0.616 63.931 63.200 0.193 0.000 0.939 640 S HN 0.746 nan 8.310 nan 0.000 0.513 641 E N 2.164 122.272 120.200 -0.153 0.000 2.562 641 E HA 0.104 4.454 4.350 -0.000 0.000 0.214 641 E C -0.886 175.614 176.600 -0.167 0.000 0.979 641 E CA -0.082 56.224 56.400 -0.157 0.000 1.002 641 E CB 0.405 29.985 29.700 -0.200 0.000 1.048 641 E HN 0.640 nan 8.360 nan 0.000 0.488 642 Y N 0.451 120.672 120.300 -0.131 0.000 2.336 642 Y HA 0.082 4.632 4.550 -0.000 0.000 0.331 642 Y C 1.379 177.113 175.900 -0.276 0.000 1.211 642 Y CA 0.307 58.273 58.100 -0.223 0.000 1.346 642 Y CB 0.769 39.066 38.460 -0.270 0.000 1.271 642 Y HN -0.074 nan 8.280 nan 0.000 0.538 643 L N 0.781 121.817 121.223 -0.311 0.000 2.537 643 L HA 0.077 4.417 4.340 -0.000 0.000 0.224 643 L C 0.594 176.942 176.870 -0.870 0.000 1.065 643 L CA 0.458 54.828 54.840 -0.782 0.000 0.860 643 L CB 0.097 41.235 42.059 -1.534 0.000 1.086 643 L HN 0.554 nan 8.230 nan 0.000 0.482 644 F N -0.401 119.557 119.950 0.014 0.000 2.667 644 F HA 0.215 4.742 4.527 -0.000 0.000 0.288 644 F C 1.455 177.226 175.800 -0.048 0.000 1.086 644 F CA -0.794 57.187 58.000 -0.032 0.000 1.297 644 F CB -0.119 38.841 39.000 -0.067 0.000 1.059 644 F HN -0.138 nan 8.300 nan 0.000 0.624 645 R N -0.185 120.336 120.500 0.035 0.000 2.517 645 R HA 0.517 4.857 4.340 -0.000 0.000 0.250 645 R C -1.017 175.270 176.300 -0.021 0.000 1.213 645 R CA -0.610 55.448 56.100 -0.069 0.000 1.146 645 R CB 0.110 30.254 30.300 -0.259 0.000 1.279 645 R HN 0.112 nan 8.270 nan 0.000 0.597 646 H N -0.651 118.358 119.070 -0.101 0.000 2.667 646 H HA 0.179 4.735 4.556 -0.000 0.000 0.353 646 H C -0.825 174.489 175.328 -0.023 0.000 1.072 646 H CA -0.525 55.506 56.048 -0.027 0.000 1.214 646 H CB 1.545 31.310 29.762 0.004 0.000 1.600 646 H HN 0.742 nan 8.280 nan 0.000 0.527 647 S N 3.129 118.637 115.700 -0.320 0.000 2.965 647 S HA -0.114 4.356 4.470 -0.000 0.000 0.322 647 S C 0.396 175.035 174.600 0.064 0.000 1.010 647 S CA 0.338 58.507 58.200 -0.051 0.000 1.797 647 S CB -0.611 62.553 63.200 -0.060 0.000 1.410 647 S HN 0.751 nan 8.310 nan 0.000 0.640 648 D N 0.735 121.190 120.400 0.091 0.000 2.398 648 D HA 0.051 4.691 4.640 -0.000 0.000 0.210 648 D C 0.436 176.780 176.300 0.073 0.000 1.094 648 D CA -0.186 53.883 54.000 0.115 0.000 0.839 648 D CB -0.119 40.751 40.800 0.115 0.000 0.963 648 D HN 0.491 nan 8.370 nan 0.000 0.506 649 N N 0.206 118.949 118.700 0.072 0.000 2.588 649 N HA 0.158 4.898 4.740 -0.000 0.000 0.298 649 N C -1.413 174.154 175.510 0.095 0.000 1.718 649 N CA -0.158 52.934 53.050 0.069 0.000 0.888 649 N CB 0.359 38.879 38.487 0.056 0.000 1.389 649 N HN -0.033 nan 8.380 nan 0.000 0.491 650 E N 0.007 120.254 120.200 0.079 0.000 2.224 650 E HA 0.456 4.806 4.350 -0.000 0.000 0.265 650 E C -1.374 175.222 176.600 -0.006 0.000 0.878 650 E CA -0.603 55.833 56.400 0.060 0.000 0.759 650 E CB 1.902 31.632 29.700 0.050 0.000 1.164 650 E HN 0.025 nan 8.360 nan 0.000 0.414 651 L N 3.232 124.427 121.223 -0.047 0.000 2.362 651 L HA 0.481 4.821 4.340 -0.000 0.000 0.275 651 L C -1.343 175.380 176.870 -0.245 0.000 0.998 651 L CA -0.897 53.843 54.840 -0.166 0.000 0.820 651 L CB 1.616 43.518 42.059 -0.262 0.000 1.270 651 L HN 0.536 nan 8.230 nan 0.000 0.415 652 L N 4.678 125.788 121.223 -0.189 0.000 2.259 652 L HA 0.348 4.688 4.340 -0.000 0.000 0.288 652 L C -0.486 176.324 176.870 -0.100 0.000 1.051 652 L CA 0.101 54.893 54.840 -0.080 0.000 0.824 652 L CB 0.204 42.305 42.059 0.070 0.000 1.206 652 L HN 0.513 nan 8.230 nan 0.000 0.429 653 H N 5.841 124.967 119.070 0.094 0.000 2.741 653 H HA 0.238 4.794 4.556 -0.000 0.000 0.282 653 H C -0.740 174.595 175.328 0.010 0.000 1.122 653 H CA -0.556 55.492 56.048 -0.001 0.000 1.293 653 H CB 0.311 30.047 29.762 -0.043 0.000 1.415 653 H HN 0.641 nan 8.280 nan 0.000 0.472 654 W N 4.365 125.760 121.300 0.158 0.000 2.359 654 W HA 0.560 5.220 4.660 -0.000 0.000 0.344 654 W C -1.124 175.460 176.519 0.109 0.000 1.170 654 W CA -1.363 56.055 57.345 0.123 0.000 1.296 654 W CB 0.785 30.308 29.460 0.105 0.000 1.197 654 W HN 0.425 nan 8.180 nan 0.000 0.618 655 M N 3.075 122.847 119.600 0.287 0.000 2.325 655 M HA 0.398 4.878 4.480 -0.000 0.000 0.285 655 M C -2.287 174.195 176.300 0.303 0.000 1.119 655 M CA -0.418 54.956 55.300 0.124 0.000 0.959 655 M CB 2.110 34.687 32.600 -0.040 0.000 1.737 655 M HN 0.240 nan 8.290 nan 0.000 0.486 656 V N 3.509 123.604 119.914 0.302 0.000 2.547 656 V HA 1.026 5.146 4.120 -0.000 0.000 0.299 656 V C -0.325 175.878 176.094 0.182 0.000 1.040 656 V CA -0.346 62.123 62.300 0.281 0.000 0.913 656 V CB 1.514 33.519 31.823 0.303 0.000 0.992 656 V HN 0.961 nan 8.190 nan 0.000 0.449 657 A N 3.765 126.701 122.820 0.195 0.000 2.594 657 A HA 0.755 5.075 4.320 -0.000 0.000 0.296 657 A C -1.655 176.041 177.584 0.187 0.000 1.061 657 A CA -0.555 51.571 52.037 0.147 0.000 0.689 657 A CB 1.504 20.556 19.000 0.086 0.000 1.280 657 A HN 0.873 nan 8.150 nan 0.000 0.406 658 L N 1.508 122.810 121.223 0.131 0.000 2.257 658 L HA 0.543 4.883 4.340 -0.000 0.000 0.290 658 L C -0.445 176.517 176.870 0.153 0.000 1.044 658 L CA 0.323 55.248 54.840 0.142 0.000 0.810 658 L CB 0.227 42.341 42.059 0.092 0.000 1.193 658 L HN 0.731 nan 8.230 nan 0.000 0.425 659 D N 4.887 125.436 120.400 0.248 0.000 2.745 659 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 659 D C 1.175 177.551 176.300 0.126 0.000 1.212 659 D CA 1.537 55.701 54.000 0.273 0.000 0.632 659 D CB -1.132 39.793 40.800 0.210 0.000 0.994 659 D HN 1.143 nan 8.370 nan 0.000 0.407 660 G N -1.075 107.769 108.800 0.073 0.000 2.195 660 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.246 660 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.246 660 G C 0.175 175.022 174.900 -0.088 0.000 0.984 660 G CA 0.283 45.314 45.100 -0.115 0.000 0.633 660 G HN 0.470 nan 8.290 nan 0.000 0.525 661 K N 1.851 122.245 120.400 -0.010 0.000 2.264 661 K HA 0.516 4.836 4.320 -0.000 0.000 0.277 661 K C -2.513 174.089 176.600 0.004 0.000 1.067 661 K CA -2.020 54.259 56.287 -0.014 0.000 0.900 661 K CB 1.622 34.125 32.500 0.005 0.000 1.124 661 K HN 0.005 nan 8.250 nan 0.000 0.469 662 P HA -0.041 nan 4.420 nan 0.000 0.262 662 P C 0.141 177.444 177.300 0.004 0.000 1.455 662 P CA 0.277 63.365 63.100 -0.020 0.000 1.217 662 P CB 0.115 31.777 31.700 -0.063 0.000 1.625 663 L N 1.403 122.652 121.223 0.043 0.000 1.973 663 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 663 L C 1.250 178.157 176.870 0.062 0.000 1.073 663 L CA 1.392 56.267 54.840 0.058 0.000 0.746 663 L CB -0.827 41.281 42.059 0.082 0.000 0.891 663 L HN 0.232 nan 8.230 nan 0.000 0.433 664 A N -1.078 121.802 122.820 0.101 0.000 2.423 664 A HA 0.709 5.029 4.320 -0.000 0.000 0.304 664 A C -0.673 176.835 177.584 -0.126 0.000 1.104 664 A CA -0.286 51.813 52.037 0.104 0.000 0.757 664 A CB 1.951 21.145 19.000 0.322 0.000 1.313 664 A HN 0.074 nan 8.150 nan 0.000 0.423 665 S N -1.409 114.061 115.700 -0.383 0.000 2.632 665 S HA 0.943 5.413 4.470 -0.000 0.000 0.289 665 S C -0.271 173.601 174.600 -1.212 0.000 1.115 665 S CA 0.046 57.756 58.200 -0.816 0.000 0.889 665 S CB 2.103 65.059 63.200 -0.408 0.000 1.116 665 S HN 2.014 nan 8.310 nan 0.000 0.486 666 G N 1.207 109.114 108.800 -1.488 0.000 2.429 666 G HA2 0.484 4.444 3.960 -0.000 0.000 0.300 666 G HA3 0.484 4.444 3.960 -0.000 0.000 0.300 666 G C -2.284 172.365 174.900 -0.418 0.000 1.598 666 G CA -0.796 43.895 45.100 -0.681 0.000 0.863 666 G HN 0.556 nan 8.290 nan 0.000 0.614 667 E N -0.584 119.711 120.200 0.158 0.000 2.277 667 E HA 0.765 5.115 4.350 -0.000 0.000 0.266 667 E C -1.142 175.601 176.600 0.239 0.000 0.901 667 E CA -1.232 55.297 56.400 0.215 0.000 0.782 667 E CB 3.362 33.191 29.700 0.215 0.000 1.228 667 E HN 0.369 nan 8.360 nan 0.000 0.424 668 V N 2.046 122.052 119.914 0.152 0.000 2.697 668 V HA 0.273 4.393 4.120 -0.000 0.000 0.296 668 V C -2.588 173.533 176.094 0.045 0.000 1.140 668 V CA -1.633 60.740 62.300 0.121 0.000 0.921 668 V CB 1.943 33.855 31.823 0.149 0.000 1.036 668 V HN 0.595 nan 8.190 nan 0.000 0.438 669 P HA 0.324 nan 4.420 nan 0.000 0.275 669 P C -0.439 176.869 177.300 0.013 0.000 1.228 669 P CA -0.279 62.828 63.100 0.011 0.000 0.786 669 P CB 0.938 32.654 31.700 0.027 0.000 0.927 670 L N 2.568 123.782 121.223 -0.015 0.000 2.360 670 L HA 0.153 4.493 4.340 -0.000 0.000 0.276 670 L C 0.442 177.312 176.870 0.001 0.000 1.121 670 L CA 0.696 55.510 54.840 -0.043 0.000 0.845 670 L CB 0.059 42.037 42.059 -0.134 0.000 1.143 670 L HN 0.415 nan 8.230 nan 0.000 0.452 671 D N 3.031 123.437 120.400 0.009 0.000 2.735 671 D HA 0.283 4.923 4.640 -0.000 0.000 0.291 671 D C -0.977 175.340 176.300 0.028 0.000 1.205 671 D CA -0.227 53.832 54.000 0.098 0.000 0.777 671 D CB 0.762 41.666 40.800 0.173 0.000 1.234 671 D HN 0.110 nan 8.370 nan 0.000 0.520 672 V N -0.334 119.440 119.914 -0.234 0.000 2.667 672 V HA 0.965 5.085 4.120 -0.000 0.000 0.308 672 V C 0.627 176.510 176.094 -0.352 0.000 1.048 672 V CA -1.251 60.962 62.300 -0.145 0.000 0.928 672 V CB 1.446 33.269 31.823 -0.001 0.000 1.004 672 V HN 0.324 nan 8.190 nan 0.000 0.444 673 A N 4.135 126.979 122.820 0.040 0.000 2.279 673 A HA 0.845 5.165 4.320 -0.000 0.000 0.303 673 A C -2.500 175.133 177.584 0.083 0.000 1.108 673 A CA -1.979 50.165 52.037 0.178 0.000 0.830 673 A CB 0.047 19.189 19.000 0.236 0.000 1.106 673 A HN 0.772 nan 8.150 nan 0.000 0.493 674 P HA -0.001 nan 4.420 nan 0.000 0.259 674 P C -0.581 176.733 177.300 0.024 0.000 1.163 674 P CA 0.822 63.947 63.100 0.041 0.000 0.760 674 P CB 0.001 31.698 31.700 -0.005 0.000 0.762 675 Q N -0.744 119.065 119.800 0.016 0.000 2.480 675 Q HA -0.192 4.148 4.340 -0.000 0.000 0.265 675 Q C 0.653 176.668 176.000 0.026 0.000 1.072 675 Q CA 1.022 56.828 55.803 0.005 0.000 1.018 675 Q CB -2.558 26.164 28.738 -0.025 0.000 1.433 675 Q HN 0.697 nan 8.270 nan 0.000 0.513 676 G N 0.465 109.294 108.800 0.049 0.000 2.613 676 G HA2 0.632 4.592 3.960 -0.000 0.000 0.303 676 G HA3 0.632 4.592 3.960 -0.000 0.000 0.303 676 G C -0.663 174.270 174.900 0.055 0.000 1.312 676 G CA -0.798 44.334 45.100 0.054 0.000 1.036 676 G HN 0.023 nan 8.290 nan 0.000 0.513 677 K N 0.215 120.646 120.400 0.051 0.000 2.507 677 K HA 0.283 4.603 4.320 -0.000 0.000 0.252 677 K C -0.927 175.700 176.600 0.046 0.000 0.943 677 K CA -0.447 55.868 56.287 0.046 0.000 0.808 677 K CB 2.605 35.128 32.500 0.038 0.000 1.142 677 K HN 0.521 nan 8.250 nan 0.000 0.426 678 Q N 3.452 123.279 119.800 0.045 0.000 2.245 678 Q HA 0.412 4.752 4.340 -0.000 0.000 0.256 678 Q C -1.053 174.972 176.000 0.042 0.000 0.942 678 Q CA -0.741 55.088 55.803 0.042 0.000 0.896 678 Q CB 1.148 29.907 28.738 0.036 0.000 1.272 678 Q HN 0.488 nan 8.270 nan 0.000 0.442 679 L N 6.104 127.345 121.223 0.031 0.000 2.283 679 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 679 L C -0.539 176.335 176.870 0.006 0.000 1.033 679 L CA -0.470 54.381 54.840 0.017 0.000 0.848 679 L CB 0.742 42.805 42.059 0.007 0.000 1.226 679 L HN 0.625 nan 8.230 nan 0.000 0.429 680 I N 2.591 123.163 120.570 0.003 0.000 2.287 680 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 680 I C 0.290 176.360 176.117 -0.079 0.000 1.069 680 I CA -0.407 60.881 61.300 -0.021 0.000 1.237 680 I CB 0.642 38.647 38.000 0.008 0.000 1.418 680 I HN 0.547 nan 8.210 nan 0.000 0.481 681 E N 6.574 126.726 120.200 -0.080 0.000 2.229 681 E HA 0.453 4.803 4.350 -0.000 0.000 0.283 681 E C -0.866 175.632 176.600 -0.169 0.000 1.030 681 E CA -0.533 55.800 56.400 -0.112 0.000 0.836 681 E CB 1.485 31.138 29.700 -0.077 0.000 1.068 681 E HN 0.467 nan 8.360 nan 0.000 0.401 682 L N 4.935 126.011 121.223 -0.245 0.000 2.334 682 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 682 L C -1.952 174.754 176.870 -0.273 0.000 1.036 682 L CA -2.283 52.327 54.840 -0.383 0.000 0.807 682 L CB 0.284 41.980 42.059 -0.605 0.000 1.231 682 L HN 0.388 nan 8.230 nan 0.000 0.438 683 P HA -0.071 nan 4.420 nan 0.000 0.269 683 P C -0.420 176.809 177.300 -0.119 0.000 1.205 683 P CA -0.229 62.792 63.100 -0.130 0.000 0.780 683 P CB 0.455 32.124 31.700 -0.052 0.000 0.858 684 E N 0.460 120.626 120.200 -0.057 0.000 2.414 684 E HA 0.070 4.420 4.350 -0.000 0.000 0.263 684 E C -0.676 175.908 176.600 -0.026 0.000 1.000 684 E CA -0.082 56.291 56.400 -0.044 0.000 0.914 684 E CB 0.124 29.811 29.700 -0.022 0.000 0.948 684 E HN 0.243 nan 8.360 nan 0.000 0.444 685 L N 6.458 127.663 121.223 -0.029 0.000 2.317 685 L HA 0.390 4.730 4.340 -0.000 0.000 0.281 685 L C -2.029 174.853 176.870 0.021 0.000 1.024 685 L CA -2.149 52.694 54.840 0.004 0.000 0.810 685 L CB 1.007 43.060 42.059 -0.008 0.000 1.240 685 L HN 0.502 nan 8.230 nan 0.000 0.427 686 P HA -0.103 nan 4.420 nan 0.000 0.265 686 P C -0.894 176.424 177.300 0.030 0.000 1.167 686 P CA 0.255 63.382 63.100 0.044 0.000 0.760 686 P CB 0.271 32.009 31.700 0.063 0.000 0.783 687 Q N 1.114 120.928 119.800 0.022 0.000 2.158 687 Q HA 0.234 4.574 4.340 -0.000 0.000 0.306 687 Q C -1.909 174.101 176.000 0.015 0.000 0.878 687 Q CA -1.440 54.371 55.803 0.014 0.000 1.136 687 Q CB -0.262 28.479 28.738 0.005 0.000 1.253 687 Q HN 0.458 nan 8.270 nan 0.000 0.441 688 P HA -0.171 nan 4.420 nan 0.000 0.266 688 P C 0.181 177.492 177.300 0.019 0.000 1.162 688 P CA 0.834 63.949 63.100 0.024 0.000 0.758 688 P CB 0.812 32.531 31.700 0.032 0.000 0.774 689 E N 0.251 120.462 120.200 0.018 0.000 2.190 689 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 689 E C 0.335 176.946 176.600 0.019 0.000 0.978 689 E CA -0.027 56.383 56.400 0.016 0.000 0.839 689 E CB -0.260 29.449 29.700 0.013 0.000 0.787 689 E HN 0.431 nan 8.360 nan 0.000 0.473 690 S N 1.774 117.488 115.700 0.023 0.000 2.558 690 S HA 0.101 4.571 4.470 -0.000 0.000 0.297 690 S C 0.327 174.945 174.600 0.030 0.000 1.283 690 S CA -0.025 58.191 58.200 0.027 0.000 1.044 690 S CB 0.424 63.642 63.200 0.030 0.000 0.789 690 S HN 0.387 nan 8.310 nan 0.000 0.500 691 A N 2.128 124.968 122.820 0.033 0.000 2.351 691 A HA 0.732 5.052 4.320 -0.000 0.000 0.257 691 A C 0.975 178.587 177.584 0.046 0.000 1.087 691 A CA 0.317 52.375 52.037 0.035 0.000 0.798 691 A CB -0.155 18.866 19.000 0.035 0.000 1.033 691 A HN 1.779 nan 8.150 nan 0.000 0.488 692 G N -0.037 108.788 108.800 0.042 0.000 2.340 692 G HA2 0.309 4.269 3.960 -0.000 0.000 0.282 692 G HA3 0.309 4.269 3.960 -0.000 0.000 0.282 692 G C -1.270 173.647 174.900 0.029 0.000 1.312 692 G CA -0.778 44.357 45.100 0.058 0.000 0.942 692 G HN 0.848 nan 8.290 nan 0.000 0.495 693 Q N -0.470 119.360 119.800 0.049 0.000 2.316 693 Q HA 0.604 4.944 4.340 -0.000 0.000 0.264 693 Q C -0.940 175.070 176.000 0.017 0.000 0.987 693 Q CA -0.857 54.921 55.803 -0.041 0.000 0.852 693 Q CB 2.296 30.987 28.738 -0.079 0.000 1.287 693 Q HN 0.449 nan 8.270 nan 0.000 0.448 694 L N 3.294 124.452 121.223 -0.109 0.000 2.292 694 L HA 0.437 4.777 4.340 -0.000 0.000 0.284 694 L C -1.533 175.260 176.870 -0.128 0.000 1.065 694 L CA 0.183 55.012 54.840 -0.017 0.000 0.806 694 L CB 0.459 42.512 42.059 -0.010 0.000 1.175 694 L HN 0.596 nan 8.230 nan 0.000 0.431 695 W N 5.303 126.646 121.300 0.073 0.000 2.915 695 W HA 0.585 5.245 4.660 -0.000 0.000 0.337 695 W C -1.152 175.466 176.519 0.165 0.000 1.102 695 W CA -0.692 56.720 57.345 0.112 0.000 1.224 695 W CB 1.772 31.302 29.460 0.118 0.000 1.416 695 W HN 0.267 nan 8.180 nan 0.000 0.503 696 L N 2.985 124.506 121.223 0.497 0.000 2.349 696 L HA 0.757 5.097 4.340 -0.000 0.000 0.278 696 L C -0.671 176.489 176.870 0.483 0.000 0.996 696 L CA -0.038 55.079 54.840 0.462 0.000 0.825 696 L CB 1.590 43.915 42.059 0.443 0.000 1.243 696 L HN 0.307 nan 8.230 nan 0.000 0.412 697 T N 5.119 119.894 114.554 0.368 0.000 2.890 697 T HA 0.560 4.910 4.350 -0.000 0.000 0.295 697 T C -0.705 174.133 174.700 0.231 0.000 0.993 697 T CA -0.443 61.805 62.100 0.248 0.000 0.979 697 T CB 1.287 70.246 68.868 0.151 0.000 0.967 697 T HN 0.519 nan 8.240 nan 0.000 0.441 698 V N 2.590 122.613 119.914 0.182 0.000 2.532 698 V HA 0.838 4.958 4.120 -0.000 0.000 0.295 698 V C -0.397 175.745 176.094 0.079 0.000 1.041 698 V CA -1.139 61.240 62.300 0.131 0.000 0.926 698 V CB 1.096 32.907 31.823 -0.021 0.000 0.992 698 V HN 0.901 nan 8.190 nan 0.000 0.457 699 R N 2.771 123.355 120.500 0.141 0.000 2.604 699 R HA 0.812 5.152 4.340 -0.000 0.000 0.281 699 R C -1.783 174.629 176.300 0.186 0.000 1.020 699 R CA -0.863 55.362 56.100 0.208 0.000 0.899 699 R CB 2.129 32.551 30.300 0.203 0.000 1.205 699 R HN 0.495 nan 8.270 nan 0.000 0.450 700 V N 2.891 122.948 119.914 0.238 0.000 2.394 700 V HA 0.431 4.551 4.120 -0.000 0.000 0.282 700 V C 0.077 176.292 176.094 0.201 0.000 1.031 700 V CA -0.674 61.736 62.300 0.183 0.000 0.881 700 V CB 1.437 33.395 31.823 0.224 0.000 0.982 700 V HN 0.562 nan 8.190 nan 0.000 0.451 701 V N 3.960 123.947 119.914 0.122 0.000 2.919 701 V HA 0.500 4.620 4.120 -0.000 0.000 0.316 701 V C -0.411 175.774 176.094 0.151 0.000 1.077 701 V CA -0.949 61.447 62.300 0.159 0.000 0.977 701 V CB 1.963 33.897 31.823 0.184 0.000 1.039 701 V HN 0.868 nan 8.190 nan 0.000 0.441 702 Q N 2.218 122.125 119.800 0.177 0.000 2.509 702 Q HA 0.294 4.634 4.340 -0.000 0.000 0.236 702 Q C -1.959 174.095 176.000 0.090 0.000 1.073 702 Q CA -1.777 54.109 55.803 0.138 0.000 0.867 702 Q CB 1.667 30.492 28.738 0.144 0.000 1.181 702 Q HN 0.477 nan 8.270 nan 0.000 0.526 703 P HA -0.214 nan 4.420 nan 0.000 0.217 703 P C -0.579 176.744 177.300 0.038 0.000 1.151 703 P CA 1.500 64.638 63.100 0.063 0.000 0.849 703 P CB 0.260 31.994 31.700 0.055 0.000 0.787 704 N N -1.399 117.313 118.700 0.020 0.000 2.272 704 N HA 0.490 5.230 4.740 -0.000 0.000 0.305 704 N C -0.698 174.779 175.510 -0.055 0.000 1.103 704 N CA -1.098 51.947 53.050 -0.008 0.000 0.791 704 N CB 0.564 39.049 38.487 -0.004 0.000 1.356 704 N HN -0.056 nan 8.380 nan 0.000 0.486 705 A N 0.465 123.246 122.820 -0.066 0.000 2.577 705 A HA 0.409 4.729 4.320 -0.000 0.000 0.233 705 A C 0.808 178.291 177.584 -0.168 0.000 1.076 705 A CA 0.613 52.577 52.037 -0.121 0.000 0.767 705 A CB -0.490 18.463 19.000 -0.079 0.000 1.017 705 A HN 0.936 nan 8.150 nan 0.000 0.511 706 T N -3.094 111.282 114.554 -0.296 0.000 2.645 706 T HA 0.665 5.015 4.350 -0.000 0.000 0.273 706 T C 0.830 175.388 174.700 -0.236 0.000 0.960 706 T CA 0.134 62.037 62.100 -0.329 0.000 1.051 706 T CB 1.080 69.501 68.868 -0.745 0.000 1.366 706 T HN 1.433 nan 8.240 nan 0.000 0.536 707 A N -0.517 122.245 122.820 -0.096 0.000 2.132 707 A HA 0.239 4.559 4.320 -0.000 0.000 0.213 707 A C 1.669 179.408 177.584 0.258 0.000 1.154 707 A CA 0.433 52.549 52.037 0.131 0.000 0.753 707 A CB -0.635 18.507 19.000 0.236 0.000 0.826 707 A HN 0.886 nan 8.150 nan 0.000 0.469 708 W N -0.653 120.716 121.300 0.116 0.000 2.868 708 W HA 0.371 5.031 4.660 -0.000 0.000 0.320 708 W C 0.129 176.629 176.519 -0.032 0.000 1.076 708 W CA 0.606 57.978 57.345 0.045 0.000 1.576 708 W CB -0.981 28.483 29.460 0.005 0.000 1.030 708 W HN 0.374 nan 8.180 nan 0.000 0.558 709 S N 0.631 115.772 115.700 -0.931 0.000 2.542 709 S HA 0.480 4.950 4.470 -0.000 0.000 0.293 709 S C -0.694 173.651 174.600 -0.425 0.000 1.089 709 S CA -0.501 57.214 58.200 -0.808 0.000 0.961 709 S CB 2.882 65.153 63.200 -1.549 0.000 1.062 709 S HN 0.113 nan 8.310 nan 0.000 0.483 710 E N 0.962 121.038 120.200 -0.206 0.000 2.318 710 E HA 0.541 4.891 4.350 -0.000 0.000 0.265 710 E C 0.368 176.940 176.600 -0.046 0.000 1.069 710 E CA -0.698 55.654 56.400 -0.080 0.000 0.893 710 E CB 1.386 31.087 29.700 0.001 0.000 1.076 710 E HN 0.885 nan 8.360 nan 0.000 0.414 711 A N 0.856 123.664 122.820 -0.021 0.000 2.520 711 A HA 0.346 4.666 4.320 -0.000 0.000 0.235 711 A C 0.917 178.531 177.584 0.051 0.000 1.065 711 A CA 0.684 52.726 52.037 0.007 0.000 0.764 711 A CB -0.381 18.623 19.000 0.007 0.000 1.002 711 A HN 0.796 nan 8.150 nan 0.000 0.502 712 G N 0.918 109.762 108.800 0.075 0.000 2.359 712 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.298 712 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.298 712 G C 0.057 175.041 174.900 0.141 0.000 1.030 712 G CA 0.575 45.739 45.100 0.106 0.000 1.149 712 G HN 1.425 nan 8.290 nan 0.000 0.512 713 H N 0.717 119.821 119.070 0.056 0.000 2.487 713 H HA 0.468 5.024 4.556 -0.000 0.000 0.333 713 H C 0.270 175.691 175.328 0.155 0.000 1.114 713 H CA -0.899 55.197 56.048 0.081 0.000 1.310 713 H CB 0.827 30.604 29.762 0.025 0.000 1.462 713 H HN 0.135 nan 8.280 nan 0.000 0.516 714 I N 5.422 125.814 120.570 -0.297 0.000 2.322 714 I HA -0.067 4.103 4.170 -0.000 0.000 0.292 714 I C 1.541 177.583 176.117 -0.124 0.000 1.060 714 I CA 0.049 61.291 61.300 -0.096 0.000 1.309 714 I CB 0.908 38.908 38.000 -0.000 0.000 1.415 714 I HN 0.607 nan 8.210 nan 0.000 0.492 715 S N 4.979 120.813 115.700 0.224 0.000 2.412 715 S HA 0.347 4.817 4.470 -0.000 0.000 0.223 715 S C 0.830 175.655 174.600 0.375 0.000 1.048 715 S CA 0.241 58.676 58.200 0.391 0.000 0.954 715 S CB 0.444 63.989 63.200 0.576 0.000 0.840 715 S HN 0.688 nan 8.310 nan 0.000 0.503 716 A N 0.233 123.308 122.820 0.424 0.000 2.524 716 A HA 0.800 5.120 4.320 -0.000 0.000 0.286 716 A C -1.724 176.159 177.584 0.498 0.000 1.203 716 A CA -0.726 51.513 52.037 0.337 0.000 0.736 716 A CB 0.686 19.960 19.000 0.456 0.000 1.322 716 A HN 1.049 nan 8.150 nan 0.000 0.424 717 W N -1.793 119.688 121.300 0.302 0.000 3.064 717 W HA 0.695 5.355 4.660 -0.000 0.000 0.328 717 W C -1.502 175.031 176.519 0.022 0.000 1.210 717 W CA -0.309 57.088 57.345 0.087 0.000 1.178 717 W CB 0.690 30.162 29.460 0.020 0.000 1.416 717 W HN 1.052 nan 8.180 nan 0.000 0.568 718 Q N 1.408 121.274 119.800 0.109 0.000 2.702 718 Q HA 0.513 4.853 4.340 -0.000 0.000 0.289 718 Q C -1.806 173.978 176.000 -0.360 0.000 0.923 718 Q CA -0.632 55.036 55.803 -0.226 0.000 0.787 718 Q CB 2.228 30.555 28.738 -0.685 0.000 1.476 718 Q HN 0.729 nan 8.270 nan 0.000 0.402 719 Q N 1.412 120.848 119.800 -0.607 0.000 2.386 719 Q HA 0.509 4.849 4.340 -0.000 0.000 0.274 719 Q C -1.588 174.222 176.000 -0.316 0.000 1.011 719 Q CA -0.623 55.005 55.803 -0.291 0.000 0.867 719 Q CB 1.399 30.201 28.738 0.106 0.000 1.409 719 Q HN 0.635 nan 8.270 nan 0.000 0.395 720 W N 2.053 123.537 121.300 0.306 0.000 2.864 720 W HA 0.494 5.154 4.660 -0.000 0.000 0.343 720 W C -0.289 176.256 176.519 0.042 0.000 1.109 720 W CA -0.848 56.609 57.345 0.188 0.000 1.192 720 W CB 2.105 31.619 29.460 0.091 0.000 1.426 720 W HN 0.663 nan 8.180 nan 0.000 0.529 721 R N 2.825 123.268 120.500 -0.095 0.000 2.248 721 R HA 0.174 4.514 4.340 -0.000 0.000 0.337 721 R C 1.229 177.350 176.300 -0.298 0.000 1.106 721 R CA -0.153 55.536 56.100 -0.684 0.000 0.959 721 R CB 0.139 29.754 30.300 -1.141 0.000 1.075 721 R HN 0.515 nan 8.270 nan 0.000 0.480 722 L N 2.122 123.236 121.223 -0.181 0.000 1.924 722 L HA -0.085 4.255 4.340 -0.000 0.000 0.222 722 L C 1.117 177.903 176.870 -0.139 0.000 1.081 722 L CA 1.863 56.645 54.840 -0.096 0.000 0.780 722 L CB -0.652 41.386 42.059 -0.034 0.000 0.891 722 L HN 0.641 nan 8.230 nan 0.000 0.434 723 A N -0.983 121.743 122.820 -0.157 0.000 2.524 723 A HA 0.619 4.939 4.320 -0.000 0.000 0.289 723 A C -1.174 176.312 177.584 -0.162 0.000 1.248 723 A CA -0.381 51.573 52.037 -0.138 0.000 0.712 723 A CB 2.078 21.031 19.000 -0.078 0.000 1.312 723 A HN 0.272 nan 8.150 nan 0.000 0.441 724 E N 0.193 120.329 120.200 -0.108 0.000 2.278 724 E HA 0.421 4.771 4.350 -0.000 0.000 0.272 724 E C -1.821 174.755 176.600 -0.040 0.000 0.890 724 E CA -0.629 55.720 56.400 -0.085 0.000 0.770 724 E CB 1.202 30.843 29.700 -0.098 0.000 1.212 724 E HN 0.504 nan 8.360 nan 0.000 0.415 725 N N 4.623 123.311 118.700 -0.019 0.000 2.546 725 N HA 0.287 5.027 4.740 -0.000 0.000 0.238 725 N C -0.617 174.899 175.510 0.009 0.000 0.984 725 N CA -0.339 52.710 53.050 -0.002 0.000 0.935 725 N CB 0.937 39.429 38.487 0.007 0.000 1.122 725 N HN 0.527 nan 8.380 nan 0.000 0.510 726 L N 0.900 122.128 121.223 0.009 0.000 2.490 726 L HA 0.036 4.376 4.340 -0.000 0.000 0.274 726 L C 1.051 177.937 176.870 0.025 0.000 1.201 726 L CA 0.226 55.078 54.840 0.019 0.000 0.869 726 L CB 0.448 42.518 42.059 0.018 0.000 1.123 726 L HN 0.413 nan 8.230 nan 0.000 0.484 727 S N 3.113 118.833 115.700 0.034 0.000 2.465 727 S HA 0.340 4.810 4.470 -0.000 0.000 0.279 727 S C 0.011 174.631 174.600 0.034 0.000 1.201 727 S CA -0.888 57.333 58.200 0.036 0.000 1.053 727 S CB 0.663 63.890 63.200 0.045 0.000 0.953 727 S HN 0.403 nan 8.310 nan 0.000 0.488 728 V N 3.121 123.052 119.914 0.029 0.000 2.611 728 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 728 V C 0.389 176.499 176.094 0.026 0.000 1.118 728 V CA -0.497 61.819 62.300 0.027 0.000 1.334 728 V CB -0.571 31.265 31.823 0.022 0.000 1.555 728 V HN 0.879 nan 8.190 nan 0.000 0.594 729 T N 0.646 115.218 114.554 0.031 0.000 2.756 729 T HA 0.661 5.011 4.350 -0.000 0.000 0.290 729 T C -0.598 174.120 174.700 0.030 0.000 0.985 729 T CA -0.526 61.592 62.100 0.030 0.000 0.955 729 T CB 1.611 70.498 68.868 0.032 0.000 0.930 729 T HN 0.378 nan 8.240 nan 0.000 0.451 730 L N 6.658 127.897 121.223 0.027 0.000 2.283 730 L HA 0.518 4.858 4.340 -0.000 0.000 0.287 730 L C -2.097 174.790 176.870 0.028 0.000 1.073 730 L CA -2.072 52.783 54.840 0.026 0.000 0.822 730 L CB -0.102 41.971 42.059 0.022 0.000 1.186 730 L HN 0.538 nan 8.230 nan 0.000 0.436 731 P HA 0.139 nan 4.420 nan 0.000 0.266 731 P C -0.674 176.647 177.300 0.035 0.000 1.193 731 P CA -0.231 62.889 63.100 0.032 0.000 0.770 731 P CB 0.287 32.007 31.700 0.033 0.000 0.836 732 A N 2.589 125.431 122.820 0.037 0.000 2.563 732 A HA 0.341 4.661 4.320 -0.000 0.000 0.256 732 A C 1.031 178.651 177.584 0.060 0.000 1.056 732 A CA 0.252 52.317 52.037 0.047 0.000 0.775 732 A CB -0.861 18.164 19.000 0.041 0.000 0.973 732 A HN 0.768 nan 8.150 nan 0.000 0.516 733 A N 3.425 126.286 122.820 0.068 0.000 2.521 733 A HA 0.407 4.727 4.320 -0.000 0.000 0.237 733 A C 0.934 178.599 177.584 0.135 0.000 1.087 733 A CA 0.753 52.835 52.037 0.075 0.000 0.777 733 A CB -0.009 19.022 19.000 0.052 0.000 1.035 733 A HN 1.094 nan 8.150 nan 0.000 0.510 734 S N -1.194 114.581 115.700 0.124 0.000 2.509 734 S HA 0.521 4.991 4.470 -0.000 0.000 0.297 734 S C 0.343 175.075 174.600 0.220 0.000 1.118 734 S CA -0.612 57.696 58.200 0.181 0.000 1.074 734 S CB 0.565 63.824 63.200 0.098 0.000 1.038 734 S HN 0.726 nan 8.310 nan 0.000 0.498 735 H N 2.102 121.177 119.070 0.008 0.000 2.272 735 H HA 0.451 5.007 4.556 -0.000 0.000 0.320 735 H C 1.376 176.709 175.328 0.009 0.000 1.072 735 H CA 1.111 57.163 56.048 0.007 0.000 1.458 735 H CB -0.834 28.933 29.762 0.007 0.000 1.456 735 H HN 0.674 nan 8.280 nan 0.000 0.551 736 A N 0.930 123.858 122.820 0.180 0.000 2.261 736 A HA 0.470 4.790 4.320 -0.000 0.000 0.275 736 A C 0.145 177.770 177.584 0.068 0.000 1.246 736 A CA 0.494 52.588 52.037 0.095 0.000 0.810 736 A CB -0.321 18.720 19.000 0.068 0.000 1.168 736 A HN 0.568 nan 8.150 nan 0.000 0.506 737 I N -2.065 118.539 120.570 0.056 0.000 2.728 737 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 737 I C -2.982 173.166 176.117 0.052 0.000 1.623 737 I CA -1.690 59.634 61.300 0.039 0.000 1.048 737 I CB 1.993 40.010 38.000 0.028 0.000 1.474 737 I HN 0.450 nan 8.210 nan 0.000 0.439 738 P HA 0.051 nan 4.420 nan 0.000 0.267 738 P C -1.322 176.034 177.300 0.093 0.000 1.201 738 P CA 0.369 63.502 63.100 0.054 0.000 0.775 738 P CB 0.231 31.908 31.700 -0.038 0.000 0.854 739 H N 2.156 121.243 119.070 0.028 0.000 2.476 739 H HA 0.398 4.954 4.556 -0.000 0.000 0.328 739 H C -1.039 174.316 175.328 0.045 0.000 1.073 739 H CA -0.904 55.163 56.048 0.031 0.000 1.229 739 H CB 1.032 30.817 29.762 0.038 0.000 1.432 739 H HN 0.231 nan 8.280 nan 0.000 0.477 740 L N 5.154 126.151 121.223 -0.377 0.000 2.272 740 L HA 0.305 4.645 4.340 -0.000 0.000 0.289 740 L C -0.692 176.021 176.870 -0.263 0.000 1.032 740 L CA -0.134 54.575 54.840 -0.218 0.000 0.810 740 L CB 1.494 43.467 42.059 -0.144 0.000 1.205 740 L HN 0.520 nan 8.230 nan 0.000 0.422 741 T N 3.262 117.791 114.554 -0.041 0.000 2.893 741 T HA 0.343 4.693 4.350 -0.000 0.000 0.324 741 T C -0.111 174.656 174.700 0.113 0.000 1.082 741 T CA -0.363 61.752 62.100 0.025 0.000 0.983 741 T CB 0.544 69.465 68.868 0.088 0.000 1.005 741 T HN 0.648 nan 8.240 nan 0.000 0.475 742 T N 3.078 117.702 114.554 0.116 0.000 2.856 742 T HA 0.547 4.897 4.350 -0.000 0.000 0.292 742 T C 0.398 175.095 174.700 -0.004 0.000 0.980 742 T CA -0.447 61.731 62.100 0.130 0.000 1.091 742 T CB 1.142 70.130 68.868 0.200 0.000 0.936 742 T HN 0.587 nan 8.240 nan 0.000 0.503 743 S N 1.452 117.083 115.700 -0.115 0.000 2.709 743 S HA 0.356 4.826 4.470 -0.000 0.000 0.302 743 S C 0.817 175.316 174.600 -0.169 0.000 1.127 743 S CA -0.807 57.330 58.200 -0.106 0.000 0.905 743 S CB 1.583 64.738 63.200 -0.076 0.000 1.151 743 S HN 0.688 nan 8.310 nan 0.000 0.510 744 E N 0.365 120.498 120.200 -0.112 0.000 2.347 744 E HA 0.063 4.413 4.350 -0.000 0.000 0.196 744 E C 0.599 177.118 176.600 -0.135 0.000 1.008 744 E CA 0.817 57.149 56.400 -0.113 0.000 0.852 744 E CB -0.086 29.575 29.700 -0.064 0.000 0.783 744 E HN 0.581 nan 8.360 nan 0.000 0.505 745 M N 0.782 120.302 119.600 -0.134 0.000 2.414 745 M HA 0.106 4.586 4.480 -0.000 0.000 0.357 745 M C -0.851 175.370 176.300 -0.132 0.000 1.059 745 M CA -0.092 55.140 55.300 -0.112 0.000 0.959 745 M CB 0.707 33.278 32.600 -0.049 0.000 1.522 745 M HN -0.048 nan 8.290 nan 0.000 0.551 746 D N -0.474 119.779 120.400 -0.244 0.000 2.913 746 D HA 0.145 4.785 4.640 -0.000 0.000 0.293 746 D C -1.550 174.583 176.300 -0.278 0.000 1.238 746 D CA -0.510 53.379 54.000 -0.185 0.000 0.738 746 D CB 0.557 41.366 40.800 0.014 0.000 1.254 746 D HN -0.087 nan 8.370 nan 0.000 0.429 747 F N 0.561 120.595 119.950 0.140 0.000 2.564 747 F HA 0.378 4.905 4.527 -0.000 0.000 0.368 747 F C 0.353 176.265 175.800 0.186 0.000 1.127 747 F CA -1.024 57.051 58.000 0.124 0.000 1.170 747 F CB 1.159 40.209 39.000 0.084 0.000 1.397 747 F HN 0.333 nan 8.300 nan 0.000 0.493 748 C N 3.119 122.589 119.300 0.283 0.000 2.676 748 C HA 0.475 4.935 4.460 -0.000 0.000 0.416 748 C C 0.277 175.430 174.990 0.272 0.000 1.299 748 C CA 0.007 59.185 59.018 0.267 0.000 2.048 748 C CB -0.462 27.370 27.740 0.153 0.000 2.713 748 C HN 0.465 nan 8.230 nan 0.000 0.624 749 I N 3.561 124.329 120.570 0.330 0.000 2.466 749 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 749 I C 0.008 176.353 176.117 0.381 0.000 1.026 749 I CA 0.097 61.567 61.300 0.283 0.000 1.078 749 I CB 1.462 39.595 38.000 0.222 0.000 1.249 749 I HN 0.670 nan 8.210 nan 0.000 0.429 750 E N 5.975 126.360 120.200 0.309 0.000 2.235 750 E HA 0.772 5.122 4.350 -0.000 0.000 0.265 750 E C -1.147 175.627 176.600 0.290 0.000 0.940 750 E CA -0.983 55.596 56.400 0.299 0.000 0.819 750 E CB 2.912 32.719 29.700 0.178 0.000 1.206 750 E HN 0.380 nan 8.360 nan 0.000 0.409 751 L N 1.485 122.874 121.223 0.276 0.000 2.722 751 L HA 0.278 4.618 4.340 -0.000 0.000 0.244 751 L C 0.062 177.016 176.870 0.141 0.000 1.023 751 L CA 0.137 55.111 54.840 0.223 0.000 0.988 751 L CB 0.547 42.775 42.059 0.282 0.000 1.245 751 L HN 0.897 nan 8.230 nan 0.000 0.508 752 G N 2.683 111.524 108.800 0.068 0.000 2.550 752 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.277 752 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.277 752 G C 0.787 175.684 174.900 -0.005 0.000 1.190 752 G CA 0.574 45.685 45.100 0.020 0.000 0.971 752 G HN 0.817 nan 8.290 nan 0.000 0.559 753 N N 1.117 119.802 118.700 -0.026 0.000 2.120 753 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 753 N C 0.940 176.405 175.510 -0.075 0.000 1.024 753 N CA 1.831 54.849 53.050 -0.052 0.000 0.852 753 N CB -0.395 38.057 38.487 -0.059 0.000 1.003 753 N HN 0.717 nan 8.380 nan 0.000 0.424 754 K N 0.509 120.849 120.400 -0.099 0.000 2.412 754 K HA 0.210 4.530 4.320 -0.000 0.000 0.281 754 K C -0.092 176.376 176.600 -0.219 0.000 1.027 754 K CA 0.254 56.373 56.287 -0.280 0.000 0.989 754 K CB 0.693 32.944 32.500 -0.415 0.000 0.935 754 K HN 0.194 nan 8.250 nan 0.000 0.475 755 R N 1.913 122.204 120.500 -0.348 0.000 2.673 755 R HA 0.407 4.747 4.340 -0.000 0.000 0.281 755 R C -1.151 175.104 176.300 -0.075 0.000 0.991 755 R CA -0.745 55.352 56.100 -0.005 0.000 0.896 755 R CB 1.646 31.987 30.300 0.068 0.000 1.201 755 R HN 0.566 nan 8.270 nan 0.000 0.457 756 W N 2.787 124.183 121.300 0.160 0.000 2.600 756 W HA 0.326 4.986 4.660 -0.000 0.000 0.325 756 W C -0.434 176.161 176.519 0.126 0.000 1.034 756 W CA -0.598 56.798 57.345 0.085 0.000 1.226 756 W CB 2.127 31.622 29.460 0.058 0.000 1.379 756 W HN 0.361 nan 8.180 nan 0.000 0.466 757 Q N 3.146 123.067 119.800 0.203 0.000 2.331 757 Q HA 0.419 4.759 4.340 -0.000 0.000 0.267 757 Q C -1.880 174.062 176.000 -0.097 0.000 1.006 757 Q CA -0.495 55.422 55.803 0.190 0.000 0.818 757 Q CB 1.367 30.285 28.738 0.302 0.000 1.276 757 Q HN 0.375 nan 8.270 nan 0.000 0.450 758 F N 2.815 122.872 119.950 0.178 0.000 2.427 758 F HA 0.297 4.824 4.527 -0.000 0.000 0.346 758 F C 0.617 176.487 175.800 0.117 0.000 1.120 758 F CA -0.801 57.281 58.000 0.136 0.000 1.033 758 F CB 1.317 40.414 39.000 0.162 0.000 1.126 758 F HN 0.516 nan 8.300 nan 0.000 0.462 759 N N 3.825 122.658 118.700 0.221 0.000 2.406 759 N HA 0.092 4.832 4.740 -0.000 0.000 0.251 759 N C 0.869 176.433 175.510 0.091 0.000 1.069 759 N CA -0.058 53.070 53.050 0.130 0.000 0.947 759 N CB 0.584 39.136 38.487 0.109 0.000 1.111 759 N HN 0.661 nan 8.380 nan 0.000 0.497 760 R N 2.239 122.736 120.500 -0.006 0.000 2.355 760 R HA -0.126 4.214 4.340 -0.000 0.000 0.219 760 R C 1.107 177.385 176.300 -0.037 0.000 1.107 760 R CA 1.254 57.313 56.100 -0.068 0.000 1.021 760 R CB 0.233 30.373 30.300 -0.267 0.000 0.852 760 R HN 0.682 nan 8.270 nan 0.000 0.475 761 Q N -0.892 118.904 119.800 -0.007 0.000 2.324 761 Q HA 0.009 4.349 4.340 -0.000 0.000 0.207 761 Q C 2.019 178.027 176.000 0.014 0.000 0.928 761 Q CA 1.272 57.076 55.803 0.001 0.000 0.890 761 Q CB 0.403 29.151 28.738 0.017 0.000 1.001 761 Q HN 0.284 nan 8.270 nan 0.000 0.517 762 S N -0.699 115.030 115.700 0.047 0.000 2.486 762 S HA 0.204 4.674 4.470 -0.000 0.000 0.220 762 S C 1.531 176.041 174.600 -0.150 0.000 1.011 762 S CA 0.418 58.662 58.200 0.073 0.000 0.921 762 S CB 0.397 63.755 63.200 0.264 0.000 0.785 762 S HN 0.476 nan 8.310 nan 0.000 0.517 763 G N 0.663 109.399 108.800 -0.107 0.000 2.160 763 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 763 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 763 G C -0.286 174.430 174.900 -0.307 0.000 1.022 763 G CA 0.287 45.269 45.100 -0.197 0.000 0.741 763 G HN 0.482 nan 8.290 nan 0.000 0.508 764 F N -1.306 118.841 119.950 0.329 0.000 2.576 764 F HA 0.631 5.158 4.527 -0.000 0.000 0.313 764 F C 0.261 176.104 175.800 0.071 0.000 1.078 764 F CA -1.787 56.368 58.000 0.259 0.000 0.921 764 F CB 1.365 40.467 39.000 0.169 0.000 1.232 764 F HN -0.022 nan 8.300 nan 0.000 0.459 765 L N 2.599 123.876 121.223 0.089 0.000 2.745 765 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 765 L C 0.900 177.684 176.870 -0.144 0.000 1.156 765 L CA 0.599 55.151 54.840 -0.479 0.000 0.982 765 L CB -0.503 41.350 42.059 -0.343 0.000 1.295 765 L HN 0.731 nan 8.230 nan 0.000 0.483 766 S N 2.920 118.525 115.700 -0.159 0.000 2.492 766 S HA 0.215 4.685 4.470 -0.000 0.000 0.218 766 S C 0.488 175.006 174.600 -0.137 0.000 1.016 766 S CA -0.041 58.124 58.200 -0.059 0.000 0.916 766 S CB 0.323 63.533 63.200 0.016 0.000 0.791 766 S HN 0.676 nan 8.310 nan 0.000 0.513 767 Q N 0.015 119.683 119.800 -0.219 0.000 2.594 767 Q HA 0.593 4.933 4.340 -0.000 0.000 0.278 767 Q C -1.903 173.830 176.000 -0.444 0.000 0.961 767 Q CA -0.366 55.209 55.803 -0.379 0.000 0.844 767 Q CB 1.484 29.899 28.738 -0.537 0.000 1.475 767 Q HN 0.267 nan 8.270 nan 0.000 0.389 768 M N 2.804 122.040 119.600 -0.605 0.000 2.386 768 M HA 0.537 5.017 4.480 -0.000 0.000 0.293 768 M C -1.901 174.009 176.300 -0.650 0.000 1.120 768 M CA -0.287 54.676 55.300 -0.562 0.000 0.909 768 M CB 1.407 33.662 32.600 -0.574 0.000 1.661 768 M HN 0.738 nan 8.290 nan 0.000 0.452 769 W N 5.531 126.603 121.300 -0.380 0.000 2.606 769 W HA 0.552 5.212 4.660 -0.000 0.000 0.332 769 W C -1.091 175.225 176.519 -0.338 0.000 1.052 769 W CA -0.628 56.544 57.345 -0.288 0.000 1.223 769 W CB 1.694 31.023 29.460 -0.218 0.000 1.383 769 W HN 0.555 nan 8.180 nan 0.000 0.524 770 I N 3.743 124.293 120.570 -0.033 0.000 2.698 770 I HA 0.310 4.480 4.170 -0.000 0.000 0.276 770 I C 0.714 176.809 176.117 -0.036 0.000 1.166 770 I CA 0.106 61.344 61.300 -0.104 0.000 1.101 770 I CB 0.677 38.571 38.000 -0.177 0.000 1.305 770 I HN 0.691 nan 8.210 nan 0.000 0.526 771 G N 4.582 113.373 108.800 -0.013 0.000 2.527 771 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.262 771 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.262 771 G C 0.474 175.412 174.900 0.065 0.000 1.153 771 G CA 0.416 45.511 45.100 -0.009 0.000 0.954 771 G HN 0.620 nan 8.290 nan 0.000 0.552 772 D N 1.242 121.680 120.400 0.063 0.000 2.340 772 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 772 D C 0.782 177.214 176.300 0.220 0.000 1.039 772 D CA 0.536 54.615 54.000 0.130 0.000 0.866 772 D CB 0.031 40.859 40.800 0.048 0.000 0.913 772 D HN 0.542 nan 8.370 nan 0.000 0.523 773 K N 1.115 121.589 120.400 0.123 0.000 2.267 773 K HA 0.248 4.568 4.320 -0.000 0.000 0.282 773 K C -0.135 176.399 176.600 -0.109 0.000 1.078 773 K CA -0.442 55.853 56.287 0.013 0.000 0.903 773 K CB 1.317 33.792 32.500 -0.041 0.000 1.111 773 K HN -0.129 nan 8.250 nan 0.000 0.475 774 K N 2.119 122.378 120.400 -0.236 0.000 2.382 774 K HA -0.016 4.304 4.320 -0.000 0.000 0.275 774 K C 0.902 177.296 176.600 -0.343 0.000 1.009 774 K CA 0.040 56.005 56.287 -0.537 0.000 0.970 774 K CB 0.641 32.853 32.500 -0.479 0.000 0.934 774 K HN 0.431 nan 8.250 nan 0.000 0.479 775 Q N 1.464 121.038 119.800 -0.375 0.000 2.392 775 Q HA 0.156 4.496 4.340 -0.000 0.000 0.219 775 Q C -0.122 175.797 176.000 -0.135 0.000 0.895 775 Q CA 0.553 56.248 55.803 -0.181 0.000 0.929 775 Q CB 0.356 29.024 28.738 -0.117 0.000 1.077 775 Q HN 0.456 nan 8.270 nan 0.000 0.532 776 L N 0.687 121.776 121.223 -0.224 0.000 2.341 776 L HA 0.364 4.703 4.340 -0.000 0.000 0.278 776 L C 0.995 177.745 176.870 -0.199 0.000 1.005 776 L CA -0.316 54.418 54.840 -0.176 0.000 0.818 776 L CB 1.699 43.673 42.059 -0.142 0.000 1.259 776 L HN -0.143 nan 8.230 nan 0.000 0.418 777 L N 1.109 122.208 121.223 -0.208 0.000 2.418 777 L HA 0.158 4.498 4.340 -0.000 0.000 0.218 777 L C 0.134 176.885 176.870 -0.198 0.000 1.125 777 L CA 0.724 55.441 54.840 -0.206 0.000 0.835 777 L CB -0.178 41.732 42.059 -0.248 0.000 0.953 777 L HN 0.753 nan 8.230 nan 0.000 0.454 778 T N -2.449 111.973 114.554 -0.220 0.000 2.868 778 T HA 0.448 4.798 4.350 -0.000 0.000 0.306 778 T C -2.809 171.818 174.700 -0.121 0.000 1.224 778 T CA -1.423 60.579 62.100 -0.164 0.000 1.012 778 T CB 2.113 70.862 68.868 -0.197 0.000 1.221 778 T HN -0.320 nan 8.240 nan 0.000 0.499 779 P HA 0.405 nan 4.420 nan 0.000 0.281 779 P C -0.788 176.477 177.300 -0.059 0.000 1.249 779 P CA -0.845 62.234 63.100 -0.035 0.000 0.810 779 P CB 0.454 32.171 31.700 0.029 0.000 1.008 780 L N 3.992 125.222 121.223 0.011 0.000 2.433 780 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 780 L C 0.585 177.398 176.870 -0.095 0.000 1.128 780 L CA 0.599 55.458 54.840 0.032 0.000 0.875 780 L CB -1.127 41.060 42.059 0.213 0.000 1.171 780 L HN 0.452 nan 8.230 nan 0.000 0.463 781 R N 1.878 122.242 120.500 -0.227 0.000 2.774 781 R HA 0.642 4.982 4.340 -0.000 0.000 0.272 781 R C -1.006 175.157 176.300 -0.227 0.000 1.000 781 R CA -1.064 54.769 56.100 -0.444 0.000 0.906 781 R CB 0.728 30.396 30.300 -1.055 0.000 1.227 781 R HN 0.405 nan 8.270 nan 0.000 0.468 782 D N 0.746 121.067 120.400 -0.131 0.000 2.400 782 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 782 D C -0.596 175.349 176.300 -0.592 0.000 1.157 782 D CA 0.274 54.074 54.000 -0.334 0.000 0.889 782 D CB 0.628 41.230 40.800 -0.329 0.000 1.199 782 D HN 0.394 nan 8.370 nan 0.000 0.436 783 Q N 0.714 119.968 119.800 -0.910 0.000 2.315 783 Q HA 0.361 4.701 4.340 -0.000 0.000 0.273 783 Q C -1.305 173.976 176.000 -1.197 0.000 1.053 783 Q CA -0.604 54.712 55.803 -0.811 0.000 0.817 783 Q CB 0.939 29.402 28.738 -0.457 0.000 1.326 783 Q HN 0.519 nan 8.270 nan 0.000 0.423 784 F N 0.083 119.650 119.950 -0.639 0.000 2.798 784 F HA 0.173 4.700 4.527 -0.000 0.000 0.328 784 F C 0.727 176.120 175.800 -0.678 0.000 1.098 784 F CA 0.043 57.572 58.000 -0.785 0.000 1.172 784 F CB 1.427 39.665 39.000 -1.271 0.000 1.072 784 F HN 0.490 nan 8.300 nan 0.000 0.555 785 T N -0.659 113.620 114.554 -0.458 0.000 2.910 785 T HA 0.790 5.140 4.350 -0.000 0.000 0.287 785 T C -0.544 173.951 174.700 -0.341 0.000 1.050 785 T CA -0.851 60.938 62.100 -0.519 0.000 1.011 785 T CB 2.789 71.317 68.868 -0.568 0.000 1.195 785 T HN 0.240 nan 8.240 nan 0.000 0.540 786 R N -0.167 120.185 120.500 -0.247 0.000 2.604 786 R HA 0.676 5.016 4.340 -0.000 0.000 0.270 786 R C -1.087 175.249 176.300 0.060 0.000 1.052 786 R CA -0.980 55.067 56.100 -0.088 0.000 0.902 786 R CB 1.333 31.570 30.300 -0.106 0.000 1.233 786 R HN 0.903 nan 8.270 nan 0.000 0.455 787 A N 4.649 127.483 122.820 0.023 0.000 2.496 787 A HA 0.273 4.593 4.320 -0.000 0.000 0.278 787 A C -1.963 175.647 177.584 0.045 0.000 1.137 787 A CA -1.030 51.007 52.037 0.001 0.000 0.805 787 A CB -0.561 18.396 19.000 -0.072 0.000 1.077 787 A HN 0.558 nan 8.150 nan 0.000 0.513 788 P HA 0.044 nan 4.420 nan 0.000 0.266 788 P C -0.107 177.251 177.300 0.096 0.000 1.186 788 P CA 0.429 63.633 63.100 0.173 0.000 0.767 788 P CB 0.392 32.222 31.700 0.216 0.000 0.820 789 L N 1.946 123.211 121.223 0.069 0.000 2.448 789 L HA 0.240 4.580 4.340 -0.000 0.000 0.258 789 L C 1.723 178.578 176.870 -0.025 0.000 1.104 789 L CA -0.531 54.292 54.840 -0.027 0.000 0.800 789 L CB 0.231 42.221 42.059 -0.115 0.000 1.241 789 L HN 0.288 nan 8.230 nan 0.000 0.472 790 D N 0.035 120.358 120.400 -0.127 0.000 2.178 790 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 790 D C 1.519 177.726 176.300 -0.155 0.000 0.974 790 D CA 1.143 55.010 54.000 -0.220 0.000 0.841 790 D CB 0.141 40.714 40.800 -0.377 0.000 0.953 790 D HN 0.423 nan 8.370 nan 0.000 0.478 791 N N 0.979 119.601 118.700 -0.130 0.000 2.396 791 N HA -0.085 4.655 4.740 -0.000 0.000 0.180 791 N C 1.018 176.518 175.510 -0.017 0.000 1.028 791 N CA 0.684 53.686 53.050 -0.080 0.000 0.893 791 N CB -0.004 38.420 38.487 -0.105 0.000 0.967 791 N HN 0.338 nan 8.380 nan 0.000 0.440 792 D N 0.056 120.455 120.400 -0.002 0.000 2.305 792 D HA 0.079 4.719 4.640 -0.000 0.000 0.206 792 D C 1.870 178.205 176.300 0.059 0.000 0.974 792 D CA 0.217 54.250 54.000 0.055 0.000 0.871 792 D CB 0.487 41.358 40.800 0.118 0.000 0.947 792 D HN 0.310 nan 8.370 nan 0.000 0.516 793 I N 0.957 121.544 120.570 0.029 0.000 2.333 793 I HA -0.007 4.163 4.170 -0.000 0.000 0.246 793 I C 1.892 178.022 176.117 0.023 0.000 1.106 793 I CA 0.817 62.127 61.300 0.017 0.000 1.411 793 I CB -0.509 37.475 38.000 -0.028 0.000 1.082 793 I HN 0.050 nan 8.210 nan 0.000 0.420 794 G N 1.481 110.307 108.800 0.043 0.000 2.556 794 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.283 794 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.283 794 G C 0.650 175.721 174.900 0.285 0.000 1.177 794 G CA 0.886 46.084 45.100 0.163 0.000 0.978 794 G HN 0.462 nan 8.290 nan 0.000 0.554 795 V N -2.131 117.934 119.914 0.252 0.000 3.621 795 V HA 0.600 4.720 4.120 -0.000 0.000 0.285 795 V C 1.416 177.580 176.094 0.117 0.000 1.346 795 V CA 1.253 63.703 62.300 0.249 0.000 1.104 795 V CB 0.046 31.952 31.823 0.138 0.000 0.913 795 V HN 1.349 nan 8.190 nan 0.000 0.432 796 S N 1.324 117.067 115.700 0.071 0.000 2.571 796 S HA 0.088 4.558 4.470 -0.000 0.000 0.298 796 S C 0.021 174.641 174.600 0.032 0.000 1.280 796 S CA 0.633 58.855 58.200 0.036 0.000 1.052 796 S CB -0.051 63.160 63.200 0.019 0.000 0.799 796 S HN 0.818 nan 8.310 nan 0.000 0.501 797 E N 1.043 121.258 120.200 0.025 0.000 2.321 797 E HA 0.443 4.793 4.350 -0.000 0.000 0.278 797 E C 0.678 177.293 176.600 0.024 0.000 0.902 797 E CA -0.290 56.126 56.400 0.026 0.000 0.758 797 E CB 1.553 31.269 29.700 0.028 0.000 1.213 797 E HN 0.638 nan 8.360 nan 0.000 0.426 798 A N 2.009 124.846 122.820 0.029 0.000 1.906 798 A HA -0.333 3.987 4.320 -0.000 0.000 0.222 798 A C 1.947 179.547 177.584 0.026 0.000 1.282 798 A CA 3.195 55.250 52.037 0.029 0.000 0.675 798 A CB -1.297 17.724 19.000 0.035 0.000 0.838 798 A HN 0.759 nan 8.150 nan 0.000 0.469 799 T N -1.814 112.755 114.554 0.025 0.000 2.668 799 T HA -0.022 4.328 4.350 -0.000 0.000 0.258 799 T C 1.295 176.003 174.700 0.015 0.000 1.051 799 T CA 1.049 63.161 62.100 0.021 0.000 1.155 799 T CB -0.181 68.699 68.868 0.021 0.000 0.864 799 T HN 0.389 nan 8.240 nan 0.000 0.413 800 R N 1.128 121.635 120.500 0.013 0.000 3.171 800 R HA 0.421 4.761 4.340 -0.000 0.000 0.241 800 R C -0.956 175.349 176.300 0.008 0.000 1.421 800 R CA -0.400 55.704 56.100 0.007 0.000 1.444 800 R CB -0.448 29.851 30.300 -0.001 0.000 1.247 800 R HN 0.341 nan 8.270 nan 0.000 0.636 801 I N 1.766 122.340 120.570 0.007 0.000 2.668 801 I HA -0.143 4.027 4.170 -0.000 0.000 0.285 801 I C 0.546 176.659 176.117 -0.006 0.000 1.168 801 I CA 0.748 62.051 61.300 0.004 0.000 1.424 801 I CB 0.394 38.398 38.000 0.006 0.000 1.377 801 I HN 0.311 nan 8.210 nan 0.000 0.560 802 D N 9.539 129.933 120.400 -0.010 0.000 2.473 802 D HA 0.267 4.907 4.640 -0.000 0.000 0.226 802 D C -1.763 174.506 176.300 -0.052 0.000 1.089 802 D CA -2.432 51.554 54.000 -0.023 0.000 0.883 802 D CB 1.109 41.904 40.800 -0.009 0.000 1.029 802 D HN 0.183 nan 8.370 nan 0.000 0.517 803 P HA -0.116 nan 4.420 nan 0.000 0.231 803 P C 0.131 177.347 177.300 -0.141 0.000 1.154 803 P CA 0.795 63.845 63.100 -0.084 0.000 0.762 803 P CB 0.248 31.906 31.700 -0.069 0.000 0.790 804 N N -1.052 117.556 118.700 -0.153 0.000 2.184 804 N HA 0.137 4.877 4.740 -0.000 0.000 0.206 804 N C 0.483 175.797 175.510 -0.327 0.000 1.151 804 N CA -0.138 52.767 53.050 -0.241 0.000 0.878 804 N CB 0.632 38.999 38.487 -0.199 0.000 1.014 804 N HN 0.066 nan 8.380 nan 0.000 0.512 805 A N 0.406 123.092 122.820 -0.224 0.000 2.488 805 A HA 0.077 4.397 4.320 -0.000 0.000 0.249 805 A C 0.755 178.163 177.584 -0.293 0.000 1.083 805 A CA -0.384 51.536 52.037 -0.195 0.000 0.768 805 A CB 0.068 19.022 19.000 -0.077 0.000 1.017 805 A HN 0.330 nan 8.150 nan 0.000 0.496 806 W N 2.111 123.167 121.300 -0.406 0.000 2.289 806 W HA -0.283 4.377 4.660 -0.000 0.000 0.331 806 W C 2.328 178.309 176.519 -0.897 0.000 1.283 806 W CA 2.297 59.155 57.345 -0.812 0.000 1.252 806 W CB -0.437 28.456 29.460 -0.946 0.000 1.153 806 W HN 0.607 nan 8.180 nan 0.000 0.467 807 V N 0.987 120.810 119.914 -0.152 0.000 2.453 807 V HA -0.289 3.831 4.120 -0.000 0.000 0.252 807 V C 1.909 178.103 176.094 0.166 0.000 1.068 807 V CA 2.382 64.803 62.300 0.203 0.000 1.070 807 V CB -0.407 31.570 31.823 0.256 0.000 0.664 807 V HN 0.199 nan 8.190 nan 0.000 0.461 808 E N -0.333 119.868 120.200 0.002 0.000 2.285 808 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 808 E C 2.330 178.911 176.600 -0.033 0.000 0.997 808 E CA 0.575 56.978 56.400 0.005 0.000 0.845 808 E CB -0.149 29.532 29.700 -0.032 0.000 0.782 808 E HN 0.657 nan 8.360 nan 0.000 0.491 809 R N 0.140 120.547 120.500 -0.155 0.000 2.057 809 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 809 R C 2.220 178.490 176.300 -0.051 0.000 1.136 809 R CA 0.939 56.923 56.100 -0.192 0.000 0.952 809 R CB -0.340 29.706 30.300 -0.424 0.000 0.848 809 R HN 0.236 nan 8.270 nan 0.000 0.430 810 W N 1.943 123.175 121.300 -0.114 0.000 2.317 810 W HA -0.168 4.492 4.660 -0.000 0.000 0.318 810 W C 2.161 178.629 176.519 -0.086 0.000 1.227 810 W CA 0.804 57.970 57.345 -0.298 0.000 1.269 810 W CB -0.969 28.430 29.460 -0.101 0.000 1.155 810 W HN 0.149 nan 8.180 nan 0.000 0.484 811 K N -0.114 120.514 120.400 0.380 0.000 1.987 811 K HA -0.190 4.130 4.320 -0.000 0.000 0.216 811 K C 2.261 178.949 176.600 0.146 0.000 1.051 811 K CA 2.217 58.697 56.287 0.322 0.000 0.942 811 K CB -0.895 31.752 32.500 0.244 0.000 0.722 811 K HN 0.022 nan 8.250 nan 0.000 0.444 812 A N 1.220 124.096 122.820 0.095 0.000 1.958 812 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 812 A C 2.287 179.894 177.584 0.038 0.000 1.178 812 A CA 2.258 54.331 52.037 0.061 0.000 0.642 812 A CB -0.811 18.209 19.000 0.033 0.000 0.816 812 A HN 0.451 nan 8.150 nan 0.000 0.453 813 A N -2.630 120.204 122.820 0.024 0.000 2.066 813 A HA 0.362 4.682 4.320 -0.000 0.000 0.218 813 A C 2.058 179.600 177.584 -0.070 0.000 1.157 813 A CA 1.582 53.649 52.037 0.050 0.000 0.670 813 A CB -0.650 18.402 19.000 0.088 0.000 0.804 813 A HN 1.907 nan 8.150 nan 0.000 0.453 814 G N -2.582 106.097 108.800 -0.202 0.000 2.253 814 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.209 814 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.209 814 G C 0.810 175.677 174.900 -0.056 0.000 0.997 814 G CA 0.533 45.260 45.100 -0.622 0.000 0.640 814 G HN 0.600 nan 8.290 nan 0.000 0.496 815 H N -0.666 118.341 119.070 -0.104 0.000 2.375 815 H HA -0.270 4.286 4.556 -0.000 0.000 0.289 815 H C 2.204 177.430 175.328 -0.170 0.000 1.121 815 H CA 2.187 58.173 56.048 -0.103 0.000 1.207 815 H CB -0.017 29.595 29.762 -0.251 0.000 1.355 815 H HN 0.587 nan 8.280 nan 0.000 0.486 816 Y N 0.572 120.975 120.300 0.172 0.000 2.337 816 Y HA -0.104 4.446 4.550 -0.000 0.000 0.293 816 Y C 2.055 178.017 175.900 0.103 0.000 1.123 816 Y CA 1.048 59.211 58.100 0.104 0.000 1.201 816 Y CB 0.242 38.753 38.460 0.086 0.000 1.011 816 Y HN 0.367 nan 8.280 nan 0.000 0.545 817 Q N -0.410 119.529 119.800 0.231 0.000 2.165 817 Q HA 0.548 4.888 4.340 -0.000 0.000 0.245 817 Q C 0.030 176.202 176.000 0.286 0.000 0.841 817 Q CA -0.309 55.637 55.803 0.238 0.000 1.078 817 Q CB 0.487 29.365 28.738 0.234 0.000 1.169 817 Q HN 0.131 nan 8.270 nan 0.000 0.475 818 A N 1.624 124.614 122.820 0.284 0.000 2.351 818 A HA 0.289 4.609 4.320 -0.000 0.000 0.257 818 A C -0.196 177.650 177.584 0.436 0.000 1.087 818 A CA -0.364 51.897 52.037 0.374 0.000 0.798 818 A CB 0.382 19.591 19.000 0.349 0.000 1.033 818 A HN 0.428 nan 8.150 nan 0.000 0.488 819 E N 1.054 121.485 120.200 0.384 0.000 2.145 819 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 819 E C -0.507 176.163 176.600 0.117 0.000 0.906 819 E CA -0.648 55.913 56.400 0.268 0.000 0.761 819 E CB 1.657 31.460 29.700 0.172 0.000 1.116 819 E HN 0.690 nan 8.360 nan 0.000 0.408 820 A N 2.669 125.441 122.820 -0.079 0.000 2.401 820 A HA 0.551 4.871 4.320 -0.000 0.000 0.259 820 A C -0.178 177.287 177.584 -0.199 0.000 1.103 820 A CA -0.219 51.465 52.037 -0.589 0.000 0.789 820 A CB 0.520 19.080 19.000 -0.733 0.000 1.035 820 A HN 0.672 nan 8.150 nan 0.000 0.491 821 A N 2.774 125.479 122.820 -0.192 0.000 2.353 821 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 821 A C -0.543 177.006 177.584 -0.058 0.000 1.089 821 A CA -0.605 51.395 52.037 -0.062 0.000 0.736 821 A CB 0.652 19.635 19.000 -0.028 0.000 1.195 821 A HN 1.054 nan 8.150 nan 0.000 0.447 822 L N 3.142 124.331 121.223 -0.057 0.000 2.513 822 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 822 L C 0.490 177.282 176.870 -0.130 0.000 1.187 822 L CA 0.209 54.948 54.840 -0.168 0.000 0.895 822 L CB 0.029 41.996 42.059 -0.153 0.000 1.147 822 L HN 0.805 nan 8.230 nan 0.000 0.483 823 L N 3.644 124.769 121.223 -0.165 0.000 2.642 823 L HA 0.275 4.615 4.340 -0.000 0.000 0.233 823 L C 0.136 176.950 176.870 -0.094 0.000 1.077 823 L CA 0.001 54.786 54.840 -0.092 0.000 0.879 823 L CB 0.224 42.252 42.059 -0.052 0.000 1.151 823 L HN 0.783 nan 8.230 nan 0.000 0.495 824 Q N 0.049 119.759 119.800 -0.150 0.000 2.598 824 Q HA 0.202 4.542 4.340 -0.000 0.000 0.237 824 Q C -1.985 173.935 176.000 -0.133 0.000 0.914 824 Q CA -0.435 55.303 55.803 -0.109 0.000 1.065 824 Q CB 1.594 30.292 28.738 -0.067 0.000 1.586 824 Q HN 0.045 nan 8.270 nan 0.000 0.484 825 C N 3.953 123.211 119.300 -0.068 0.000 2.442 825 C HA 0.930 5.390 4.460 -0.000 0.000 0.335 825 C C -0.753 174.275 174.990 0.063 0.000 1.134 825 C CA 0.639 59.648 59.018 -0.015 0.000 1.344 825 C CB 0.714 28.469 27.740 0.024 0.000 1.956 825 C HN 0.826 nan 8.230 nan 0.000 0.438 826 T N 2.771 117.301 114.554 -0.040 0.000 2.916 826 T HA 0.848 5.198 4.350 -0.000 0.000 0.305 826 T C -0.530 173.931 174.700 -0.398 0.000 1.119 826 T CA -0.271 61.759 62.100 -0.117 0.000 1.008 826 T CB 1.756 70.582 68.868 -0.071 0.000 1.129 826 T HN 1.349 nan 8.240 nan 0.000 0.480 827 A N 1.903 124.346 122.820 -0.628 0.000 2.337 827 A HA 0.861 5.181 4.320 -0.000 0.000 0.331 827 A C -0.776 176.585 177.584 -0.371 0.000 1.137 827 A CA -0.590 51.017 52.037 -0.716 0.000 0.807 827 A CB 1.145 19.435 19.000 -1.184 0.000 1.250 827 A HN 0.931 nan 8.150 nan 0.000 0.468 828 D N -0.400 119.825 120.400 -0.291 0.000 2.654 828 D HA 0.461 5.101 4.640 -0.000 0.000 0.231 828 D C -1.412 174.792 176.300 -0.160 0.000 1.239 828 D CA -0.012 53.879 54.000 -0.180 0.000 0.790 828 D CB 2.462 43.180 40.800 -0.138 0.000 1.480 828 D HN 0.468 nan 8.370 nan 0.000 0.442 829 T N 1.445 115.930 114.554 -0.115 0.000 2.797 829 T HA 0.536 4.886 4.350 -0.000 0.000 0.279 829 T C -0.113 174.545 174.700 -0.069 0.000 0.991 829 T CA -0.701 61.342 62.100 -0.095 0.000 0.979 829 T CB 1.292 70.110 68.868 -0.083 0.000 0.943 829 T HN 0.086 nan 8.240 nan 0.000 0.444 830 L N 1.478 122.663 121.223 -0.063 0.000 2.298 830 L HA 0.674 5.014 4.340 -0.000 0.000 0.268 830 L C 1.768 178.619 176.870 -0.032 0.000 1.010 830 L CA -0.914 53.898 54.840 -0.046 0.000 0.812 830 L CB 0.162 42.193 42.059 -0.047 0.000 1.331 830 L HN 0.761 nan 8.230 nan 0.000 0.450 831 A N 0.032 122.838 122.820 -0.023 0.000 2.076 831 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 831 A C 0.712 178.290 177.584 -0.010 0.000 1.160 831 A CA 2.025 54.054 52.037 -0.014 0.000 0.653 831 A CB -0.683 18.311 19.000 -0.010 0.000 0.801 831 A HN 0.831 nan 8.150 nan 0.000 0.455 832 D N -3.267 117.124 120.400 -0.015 0.000 2.525 832 D HA 0.552 5.192 4.640 -0.000 0.000 0.231 832 D C 0.239 176.524 176.300 -0.025 0.000 1.216 832 D CA 0.631 54.625 54.000 -0.010 0.000 0.813 832 D CB 0.134 40.930 40.800 -0.006 0.000 1.108 832 D HN 0.525 nan 8.370 nan 0.000 0.524 833 A N -0.427 122.368 122.820 -0.041 0.000 2.483 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.294 833 A C -1.675 175.855 177.584 -0.091 0.000 1.077 833 A CA -0.785 51.212 52.037 -0.067 0.000 0.633 833 A CB 0.562 19.520 19.000 -0.070 0.000 1.318 833 A HN 0.044 nan 8.150 nan 0.000 0.455 834 V N -0.176 119.662 119.914 -0.125 0.000 2.713 834 V HA 0.761 4.881 4.120 -0.000 0.000 0.307 834 V C -0.676 175.313 176.094 -0.175 0.000 1.052 834 V CA -0.509 61.695 62.300 -0.160 0.000 0.967 834 V CB 1.419 33.128 31.823 -0.190 0.000 1.019 834 V HN 0.925 nan 8.190 nan 0.000 0.459 835 L N 4.608 125.709 121.223 -0.204 0.000 2.406 835 L HA 0.601 4.941 4.340 -0.000 0.000 0.270 835 L C -0.945 175.766 176.870 -0.265 0.000 0.982 835 L CA -0.085 54.642 54.840 -0.188 0.000 0.843 835 L CB 1.287 43.267 42.059 -0.131 0.000 1.225 835 L HN 0.427 nan 8.230 nan 0.000 0.412 836 I N 3.460 123.862 120.570 -0.279 0.000 2.385 836 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 836 I C 0.242 176.288 176.117 -0.117 0.000 0.988 836 I CA -0.281 60.803 61.300 -0.359 0.000 1.265 836 I CB 1.338 38.889 38.000 -0.747 0.000 1.388 836 I HN 0.518 nan 8.210 nan 0.000 0.480 837 T N 5.188 119.669 114.554 -0.121 0.000 2.864 837 T HA 0.493 4.843 4.350 -0.000 0.000 0.299 837 T C 0.110 174.798 174.700 -0.021 0.000 1.011 837 T CA -0.485 61.590 62.100 -0.042 0.000 0.975 837 T CB 1.006 69.837 68.868 -0.063 0.000 0.962 837 T HN 0.764 nan 8.240 nan 0.000 0.448 838 T N 0.466 115.048 114.554 0.047 0.000 2.940 838 T HA 0.874 5.224 4.350 -0.000 0.000 0.288 838 T C -0.561 174.131 174.700 -0.014 0.000 1.033 838 T CA -1.154 60.944 62.100 -0.004 0.000 1.033 838 T CB 2.012 70.933 68.868 0.089 0.000 1.079 838 T HN 0.602 nan 8.240 nan 0.000 0.496 839 A N 1.936 124.654 122.820 -0.170 0.000 2.547 839 A HA 0.649 4.969 4.320 -0.000 0.000 0.279 839 A C -1.148 176.328 177.584 -0.181 0.000 1.088 839 A CA -0.852 51.145 52.037 -0.068 0.000 0.796 839 A CB 0.275 19.260 19.000 -0.025 0.000 1.308 839 A HN 0.953 nan 8.150 nan 0.000 0.415 840 H N 0.593 119.667 119.070 0.007 0.000 2.737 840 H HA 0.886 5.442 4.556 -0.000 0.000 0.358 840 H C 0.064 175.347 175.328 -0.075 0.000 1.187 840 H CA -0.385 55.574 56.048 -0.149 0.000 1.221 840 H CB 1.857 31.376 29.762 -0.405 0.000 1.799 840 H HN 0.918 nan 8.280 nan 0.000 0.568 841 A N 1.040 123.836 122.820 -0.040 0.000 2.402 841 A HA 0.361 4.681 4.320 -0.000 0.000 0.291 841 A C -1.500 176.117 177.584 0.056 0.000 1.051 841 A CA -0.767 51.333 52.037 0.105 0.000 0.716 841 A CB 0.978 20.032 19.000 0.089 0.000 1.223 841 A HN 0.554 nan 8.150 nan 0.000 0.425 842 W N 2.234 123.658 121.300 0.207 0.000 2.351 842 W HA 0.457 5.117 4.660 -0.000 0.000 0.311 842 W C -0.128 176.430 176.519 0.065 0.000 1.168 842 W CA -0.166 57.289 57.345 0.183 0.000 1.200 842 W CB 1.362 30.990 29.460 0.279 0.000 1.221 842 W HN 0.739 nan 8.180 nan 0.000 0.519 843 Q N 1.529 121.508 119.800 0.298 0.000 2.451 843 Q HA 0.439 4.779 4.340 -0.000 0.000 0.281 843 Q C -1.017 175.130 176.000 0.245 0.000 1.099 843 Q CA -0.944 54.972 55.803 0.188 0.000 0.806 843 Q CB 3.545 32.351 28.738 0.113 0.000 1.419 843 Q HN 0.416 nan 8.270 nan 0.000 0.427 844 H N 1.555 120.671 119.070 0.076 0.000 3.096 844 H HA 0.089 4.645 4.556 -0.000 0.000 0.335 844 H C -1.027 174.339 175.328 0.063 0.000 0.990 844 H CA -0.275 55.823 56.048 0.084 0.000 1.393 844 H CB 1.171 30.990 29.762 0.095 0.000 1.742 844 H HN 0.792 nan 8.280 nan 0.000 0.501 845 Q N 3.168 122.713 119.800 -0.425 0.000 2.391 845 Q HA -0.228 4.112 4.340 -0.000 0.000 0.366 845 Q C 1.000 176.948 176.000 -0.087 0.000 1.305 845 Q CA 1.047 56.691 55.803 -0.265 0.000 1.123 845 Q CB -1.267 27.274 28.738 -0.327 0.000 1.259 845 Q HN 1.126 nan 8.270 nan 0.000 0.307 846 G N 0.568 109.345 108.800 -0.040 0.000 2.175 846 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.265 846 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.265 846 G C 0.035 174.943 174.900 0.013 0.000 0.979 846 G CA 0.975 46.072 45.100 -0.006 0.000 0.663 846 G HN 0.558 nan 8.290 nan 0.000 0.533 847 K N 0.373 120.790 120.400 0.028 0.000 2.378 847 K HA 0.646 4.966 4.320 -0.000 0.000 0.252 847 K C -0.232 176.385 176.600 0.029 0.000 0.931 847 K CA -0.374 55.933 56.287 0.033 0.000 0.794 847 K CB 1.338 33.863 32.500 0.042 0.000 1.181 847 K HN -0.024 nan 8.250 nan 0.000 0.425 848 T N 5.820 120.378 114.554 0.007 0.000 2.727 848 T HA 0.229 4.579 4.350 -0.000 0.000 0.298 848 T C 1.137 175.770 174.700 -0.112 0.000 0.942 848 T CA -0.482 61.614 62.100 -0.006 0.000 0.997 848 T CB 0.236 69.120 68.868 0.026 0.000 0.917 848 T HN 0.520 nan 8.240 nan 0.000 0.487 849 L N 2.086 123.145 121.223 -0.274 0.000 2.071 849 L HA 0.279 4.619 4.340 -0.000 0.000 0.201 849 L C 0.099 176.441 176.870 -0.881 0.000 1.076 849 L CA 0.952 55.337 54.840 -0.759 0.000 0.755 849 L CB -0.216 40.991 42.059 -1.421 0.000 0.915 849 L HN 0.484 nan 8.230 nan 0.000 0.445 850 F N -1.159 118.722 119.950 -0.115 0.000 2.603 850 F HA 0.640 5.167 4.527 -0.000 0.000 0.317 850 F C -0.453 175.474 175.800 0.211 0.000 1.066 850 F CA -1.056 56.879 58.000 -0.107 0.000 0.941 850 F CB 1.503 40.123 39.000 -0.634 0.000 1.291 850 F HN -0.289 nan 8.300 nan 0.000 0.472 851 I N 1.391 122.228 120.570 0.445 0.000 2.468 851 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 851 I C -0.767 175.649 176.117 0.498 0.000 1.038 851 I CA -0.393 61.168 61.300 0.435 0.000 1.083 851 I CB 1.924 40.083 38.000 0.265 0.000 1.223 851 I HN 0.605 nan 8.210 nan 0.000 0.443 852 S N 6.793 122.892 115.700 0.665 0.000 2.429 852 S HA 0.536 5.006 4.470 -0.000 0.000 0.302 852 S C -0.408 174.449 174.600 0.429 0.000 1.115 852 S CA -0.572 58.005 58.200 0.627 0.000 1.095 852 S CB 0.403 64.178 63.200 0.958 0.000 0.987 852 S HN 0.519 nan 8.310 nan 0.000 0.474 853 R N 4.057 124.736 120.500 0.298 0.000 2.371 853 R HA 0.388 4.728 4.340 -0.000 0.000 0.312 853 R C -0.354 176.018 176.300 0.121 0.000 0.980 853 R CA -0.619 55.596 56.100 0.193 0.000 0.867 853 R CB 1.446 31.833 30.300 0.146 0.000 1.163 853 R HN 0.573 nan 8.270 nan 0.000 0.492 854 K N 0.729 121.187 120.400 0.097 0.000 2.393 854 K HA 0.570 4.890 4.320 -0.000 0.000 0.241 854 K C -0.153 176.392 176.600 -0.093 0.000 1.055 854 K CA -0.911 55.340 56.287 -0.059 0.000 0.951 854 K CB 1.664 34.050 32.500 -0.190 0.000 1.285 854 K HN 0.465 nan 8.250 nan 0.000 0.500 855 T N -1.202 113.198 114.554 -0.257 0.000 3.483 855 T HA 0.371 4.721 4.350 -0.000 0.000 0.329 855 T C -1.433 173.109 174.700 -0.264 0.000 1.014 855 T CA -0.864 61.136 62.100 -0.167 0.000 1.056 855 T CB -0.047 68.773 68.868 -0.080 0.000 1.090 855 T HN 0.382 nan 8.240 nan 0.000 0.460 856 Y N 1.854 122.115 120.300 -0.066 0.000 2.352 856 Y HA 0.798 5.348 4.550 -0.000 0.000 0.326 856 Y C 0.898 176.731 175.900 -0.112 0.000 1.166 856 Y CA -1.255 56.819 58.100 -0.044 0.000 1.182 856 Y CB 1.484 39.958 38.460 0.024 0.000 1.216 856 Y HN 0.910 nan 8.280 nan 0.000 0.474 857 R N 2.975 123.512 120.500 0.062 0.000 3.039 857 R HA 0.432 4.772 4.340 -0.000 0.000 0.264 857 R C -2.295 173.961 176.300 -0.073 0.000 1.708 857 R CA -0.149 55.930 56.100 -0.035 0.000 1.134 857 R CB 0.016 30.299 30.300 -0.028 0.000 1.386 857 R HN 0.726 nan 8.270 nan 0.000 0.477 858 I N 3.674 124.140 120.570 -0.173 0.000 2.365 858 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 858 I C -0.122 175.875 176.117 -0.200 0.000 1.004 858 I CA -0.683 60.441 61.300 -0.293 0.000 1.311 858 I CB 1.076 38.721 38.000 -0.591 0.000 1.401 858 I HN 0.659 nan 8.210 nan 0.000 0.491 859 D N 3.947 124.263 120.400 -0.141 0.000 2.689 859 D HA 0.281 4.921 4.640 -0.000 0.000 0.255 859 D C 1.156 177.432 176.300 -0.040 0.000 1.113 859 D CA -0.637 53.320 54.000 -0.073 0.000 1.115 859 D CB 0.533 41.312 40.800 -0.034 0.000 1.334 859 D HN 0.499 nan 8.370 nan 0.000 0.621 860 G N -0.939 107.857 108.800 -0.007 0.000 2.479 860 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 860 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 860 G C 1.207 176.118 174.900 0.018 0.000 1.115 860 G CA 1.313 46.423 45.100 0.017 0.000 0.757 860 G HN 0.563 nan 8.290 nan 0.000 0.560 861 S N -0.620 115.088 115.700 0.014 0.000 2.603 861 S HA 0.339 4.809 4.470 -0.000 0.000 0.220 861 S C 1.923 176.550 174.600 0.045 0.000 0.967 861 S CA 0.933 59.145 58.200 0.021 0.000 0.920 861 S CB -0.121 63.092 63.200 0.021 0.000 0.773 861 S HN 1.496 nan 8.310 nan 0.000 0.529 862 G N 0.668 109.501 108.800 0.055 0.000 2.162 862 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 862 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 862 G C -0.191 174.790 174.900 0.134 0.000 0.976 862 G CA 0.235 45.427 45.100 0.154 0.000 0.655 862 G HN 0.631 nan 8.290 nan 0.000 0.533 863 Q N -0.452 119.376 119.800 0.047 0.000 2.243 863 Q HA 0.648 4.988 4.340 -0.000 0.000 0.252 863 Q C 0.158 176.161 176.000 0.004 0.000 0.909 863 Q CA -0.344 55.493 55.803 0.057 0.000 0.922 863 Q CB 1.670 30.444 28.738 0.060 0.000 1.215 863 Q HN 0.436 nan 8.270 nan 0.000 0.427 864 M N 1.939 121.578 119.600 0.065 0.000 2.180 864 M HA 0.509 4.989 4.480 -0.000 0.000 0.350 864 M C -1.325 175.067 176.300 0.154 0.000 1.125 864 M CA -0.441 54.905 55.300 0.077 0.000 1.031 864 M CB 1.020 33.720 32.600 0.166 0.000 1.623 864 M HN 0.729 nan 8.290 nan 0.000 0.451 865 A N 7.331 130.214 122.820 0.105 0.000 2.273 865 A HA 0.646 4.966 4.320 -0.000 0.000 0.315 865 A C -0.779 176.829 177.584 0.042 0.000 1.256 865 A CA -0.730 51.358 52.037 0.085 0.000 0.851 865 A CB 0.265 19.294 19.000 0.048 0.000 1.172 865 A HN 0.885 nan 8.150 nan 0.000 0.508 866 I N 2.351 122.929 120.570 0.013 0.000 2.321 866 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 866 I C -0.152 175.816 176.117 -0.249 0.000 0.998 866 I CA -0.166 61.028 61.300 -0.177 0.000 1.227 866 I CB 1.631 39.557 38.000 -0.125 0.000 1.368 866 I HN 0.438 nan 8.210 nan 0.000 0.466 867 T N 6.047 120.417 114.554 -0.306 0.000 2.786 867 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 867 T C -0.147 174.359 174.700 -0.324 0.000 0.992 867 T CA -0.405 61.531 62.100 -0.274 0.000 0.954 867 T CB 1.677 70.485 68.868 -0.100 0.000 0.934 867 T HN 0.284 nan 8.240 nan 0.000 0.440 868 V N 3.253 122.860 119.914 -0.511 0.000 2.513 868 V HA 0.619 4.739 4.120 -0.000 0.000 0.299 868 V C -0.333 175.683 176.094 -0.129 0.000 1.035 868 V CA -0.841 61.207 62.300 -0.420 0.000 0.889 868 V CB 1.945 33.228 31.823 -0.901 0.000 0.988 868 V HN 0.810 nan 8.190 nan 0.000 0.440 869 D N 2.550 123.024 120.400 0.123 0.000 2.478 869 D HA 0.431 5.071 4.640 -0.000 0.000 0.240 869 D C -1.236 175.246 176.300 0.303 0.000 1.364 869 D CA 0.006 54.174 54.000 0.280 0.000 0.987 869 D CB 2.542 43.508 40.800 0.276 0.000 1.328 869 D HN 0.321 nan 8.370 nan 0.000 0.584 870 V N 2.098 122.243 119.914 0.385 0.000 2.630 870 V HA 0.437 4.557 4.120 -0.000 0.000 0.305 870 V C 0.111 176.410 176.094 0.342 0.000 1.046 870 V CA -0.593 61.953 62.300 0.409 0.000 0.934 870 V CB 2.461 34.580 31.823 0.493 0.000 1.003 870 V HN 0.346 nan 8.190 nan 0.000 0.451 871 E N 1.844 122.231 120.200 0.311 0.000 2.224 871 E HA 0.587 4.937 4.350 -0.000 0.000 0.265 871 E C -1.704 175.036 176.600 0.233 0.000 0.878 871 E CA -0.502 56.031 56.400 0.221 0.000 0.759 871 E CB 2.441 32.243 29.700 0.170 0.000 1.164 871 E HN 0.489 nan 8.360 nan 0.000 0.414 872 V N 1.549 121.579 119.914 0.193 0.000 2.409 872 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 872 V C 0.254 176.396 176.094 0.080 0.000 1.020 872 V CA -1.157 61.255 62.300 0.187 0.000 0.848 872 V CB 1.323 33.328 31.823 0.303 0.000 0.990 872 V HN 0.801 nan 8.190 nan 0.000 0.430 873 A N 3.351 126.171 122.820 0.000 0.000 2.545 873 A HA 0.289 4.609 4.320 -0.000 0.000 0.253 873 A C 1.756 179.372 177.584 0.053 0.000 1.074 873 A CA 0.645 52.685 52.037 0.005 0.000 0.760 873 A CB 0.214 19.190 19.000 -0.039 0.000 1.005 873 A HN 1.482 nan 8.150 nan 0.000 0.506 874 S N 1.943 117.677 115.700 0.056 0.000 2.407 874 S HA -0.201 4.269 4.470 -0.000 0.000 0.235 874 S C 0.995 175.663 174.600 0.113 0.000 1.036 874 S CA 1.634 59.885 58.200 0.086 0.000 1.013 874 S CB -0.401 62.835 63.200 0.059 0.000 0.820 874 S HN 0.842 nan 8.310 nan 0.000 0.476 875 D N 0.694 121.140 120.400 0.075 0.000 3.060 875 D HA 0.171 4.811 4.640 -0.000 0.000 0.245 875 D C -0.048 176.302 176.300 0.083 0.000 1.274 875 D CA -0.058 53.985 54.000 0.071 0.000 0.864 875 D CB -0.129 40.696 40.800 0.042 0.000 1.073 875 D HN 0.252 nan 8.370 nan 0.000 0.473 876 T N 0.113 114.752 114.554 0.142 0.000 2.916 876 T HA 0.414 4.764 4.350 -0.000 0.000 0.305 876 T C -2.886 171.994 174.700 0.299 0.000 1.119 876 T CA -1.612 60.595 62.100 0.178 0.000 1.008 876 T CB 1.764 70.704 68.868 0.119 0.000 1.129 876 T HN -0.167 nan 8.240 nan 0.000 0.480 877 P HA 0.131 nan 4.420 nan 0.000 0.262 877 P C -0.610 177.100 177.300 0.683 0.000 1.182 877 P CA -0.025 63.268 63.100 0.323 0.000 0.761 877 P CB 0.047 31.881 31.700 0.223 0.000 0.795 878 H N 3.966 123.385 119.070 0.581 0.000 3.157 878 H HA 0.039 4.595 4.556 -0.000 0.000 0.299 878 H C -1.739 173.935 175.328 0.576 0.000 0.961 878 H CA -1.726 54.628 56.048 0.510 0.000 1.428 878 H CB -1.112 28.897 29.762 0.411 0.000 1.459 878 H HN 0.336 nan 8.280 nan 0.000 0.566 879 P HA -0.018 nan 4.420 nan 0.000 0.267 879 P C 0.463 177.677 177.300 -0.144 0.000 1.200 879 P CA -0.078 63.108 63.100 0.144 0.000 0.772 879 P CB 0.706 32.407 31.700 0.002 0.000 0.855 880 A N 3.606 126.047 122.820 -0.632 0.000 2.019 880 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 880 A C 1.067 178.285 177.584 -0.609 0.000 1.164 880 A CA 1.392 53.001 52.037 -0.715 0.000 0.644 880 A CB -0.567 17.738 19.000 -1.159 0.000 0.805 880 A HN 0.779 nan 8.150 nan 0.000 0.449 881 R N -3.388 116.824 120.500 -0.481 0.000 2.780 881 R HA 0.688 5.028 4.340 -0.000 0.000 0.280 881 R C -1.917 174.183 176.300 -0.334 0.000 1.016 881 R CA -0.876 54.997 56.100 -0.379 0.000 0.854 881 R CB 0.477 30.588 30.300 -0.315 0.000 1.293 881 R HN 0.021 nan 8.270 nan 0.000 0.483 882 I N 0.530 120.917 120.570 -0.306 0.000 2.497 882 I HA 0.696 4.866 4.170 -0.000 0.000 0.284 882 I C -0.279 175.552 176.117 -0.476 0.000 1.060 882 I CA -0.113 60.980 61.300 -0.346 0.000 1.071 882 I CB 2.101 40.002 38.000 -0.165 0.000 1.216 882 I HN 0.995 nan 8.210 nan 0.000 0.442 883 G N 5.558 114.057 108.800 -0.502 0.000 2.428 883 G HA2 0.634 4.594 3.960 -0.000 0.000 0.305 883 G HA3 0.634 4.594 3.960 -0.000 0.000 0.305 883 G C -1.881 172.839 174.900 -0.299 0.000 1.260 883 G CA -0.637 44.227 45.100 -0.394 0.000 0.853 883 G HN 0.341 nan 8.290 nan 0.000 0.480 884 L N 0.609 121.703 121.223 -0.216 0.000 2.303 884 L HA 0.748 5.088 4.340 -0.000 0.000 0.256 884 L C -0.812 175.934 176.870 -0.206 0.000 1.034 884 L CA -1.149 53.579 54.840 -0.187 0.000 0.832 884 L CB 2.590 44.601 42.059 -0.080 0.000 1.403 884 L HN 0.872 nan 8.230 nan 0.000 0.419 885 N N 0.110 118.715 118.700 -0.159 0.000 2.636 885 N HA 0.526 5.266 4.740 -0.000 0.000 0.261 885 N C -1.427 174.052 175.510 -0.052 0.000 1.195 885 N CA -0.691 52.295 53.050 -0.107 0.000 0.902 885 N CB 1.813 40.279 38.487 -0.035 0.000 1.627 885 N HN 0.805 nan 8.380 nan 0.000 0.491 886 C N -0.736 118.519 119.300 -0.075 0.000 3.086 886 C HA 0.611 5.071 4.460 -0.000 0.000 0.311 886 C C -0.468 174.299 174.990 -0.371 0.000 1.260 886 C CA -0.833 58.088 59.018 -0.161 0.000 1.426 886 C CB 1.171 28.840 27.740 -0.118 0.000 1.826 886 C HN 0.829 nan 8.230 nan 0.000 0.474 887 Q N 1.816 121.187 119.800 -0.714 0.000 2.377 887 Q HA 0.555 4.895 4.340 -0.000 0.000 0.249 887 Q C -0.746 174.975 176.000 -0.466 0.000 1.005 887 Q CA -0.262 54.932 55.803 -1.014 0.000 0.912 887 Q CB 0.545 28.379 28.738 -1.507 0.000 1.223 887 Q HN 0.785 nan 8.270 nan 0.000 0.459 888 L N 2.582 123.634 121.223 -0.285 0.000 2.439 888 L HA 0.188 4.528 4.340 -0.000 0.000 0.269 888 L C 1.060 177.869 176.870 -0.102 0.000 1.179 888 L CA -0.128 54.666 54.840 -0.076 0.000 0.828 888 L CB 0.816 42.943 42.059 0.113 0.000 1.106 888 L HN 0.802 nan 8.230 nan 0.000 0.467 889 A N 1.824 124.607 122.820 -0.061 0.000 2.021 889 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 889 A C 1.070 178.632 177.584 -0.038 0.000 1.163 889 A CA 0.282 52.270 52.037 -0.081 0.000 0.676 889 A CB -0.141 18.796 19.000 -0.104 0.000 0.818 889 A HN 0.769 nan 8.150 nan 0.000 0.453 890 Q N -0.350 119.456 119.800 0.010 0.000 2.584 890 Q HA 0.363 4.703 4.340 -0.000 0.000 0.235 890 Q C -0.973 175.042 176.000 0.024 0.000 1.079 890 Q CA 0.821 56.621 55.803 -0.005 0.000 0.977 890 Q CB 0.554 29.295 28.738 0.005 0.000 1.293 890 Q HN 0.244 nan 8.270 nan 0.000 0.553 891 V N 1.640 121.530 119.914 -0.040 0.000 2.716 891 V HA 0.648 4.768 4.120 -0.000 0.000 0.284 891 V C -1.029 175.005 176.094 -0.100 0.000 1.129 891 V CA -0.139 62.166 62.300 0.009 0.000 0.926 891 V CB 1.108 32.941 31.823 0.017 0.000 1.051 891 V HN 0.917 nan 8.190 nan 0.000 0.458 892 A N 2.925 125.608 122.820 -0.227 0.000 2.309 892 A HA 0.920 5.240 4.320 -0.000 0.000 0.317 892 A C 0.739 178.321 177.584 -0.004 0.000 1.134 892 A CA -0.252 51.642 52.037 -0.237 0.000 0.866 892 A CB 1.373 20.055 19.000 -0.531 0.000 1.329 892 A HN 0.655 nan 8.150 nan 0.000 0.477 893 E N 0.047 120.243 120.200 -0.006 0.000 2.051 893 E HA 0.004 4.354 4.350 -0.000 0.000 0.189 893 E C 0.521 177.185 176.600 0.106 0.000 0.979 893 E CA 1.192 57.620 56.400 0.047 0.000 0.803 893 E CB 0.058 29.769 29.700 0.018 0.000 0.761 893 E HN 0.603 nan 8.360 nan 0.000 0.451 894 R N -1.119 119.453 120.500 0.120 0.000 2.939 894 R HA 0.682 5.022 4.340 -0.000 0.000 0.254 894 R C -0.908 175.571 176.300 0.298 0.000 1.123 894 R CA -0.977 55.231 56.100 0.179 0.000 1.020 894 R CB 1.870 32.248 30.300 0.130 0.000 1.206 894 R HN -0.232 nan 8.270 nan 0.000 0.491 895 V N 1.301 121.397 119.914 0.304 0.000 2.612 895 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 895 V C -0.862 175.482 176.094 0.416 0.000 1.059 895 V CA -0.963 61.554 62.300 0.362 0.000 0.886 895 V CB 1.728 33.722 31.823 0.284 0.000 1.007 895 V HN 0.755 nan 8.190 nan 0.000 0.426 896 N N 3.998 122.927 118.700 0.383 0.000 2.269 896 N HA 0.631 5.371 4.740 -0.000 0.000 0.304 896 N C -1.371 174.407 175.510 0.447 0.000 1.072 896 N CA -0.447 52.803 53.050 0.332 0.000 0.802 896 N CB 3.131 41.713 38.487 0.158 0.000 1.348 896 N HN 0.837 nan 8.380 nan 0.000 0.484 897 W N 2.831 124.168 121.300 0.063 0.000 3.248 897 W HA 0.529 5.189 4.660 -0.000 0.000 0.311 897 W C -2.171 174.312 176.519 -0.060 0.000 1.258 897 W CA -1.046 56.326 57.345 0.046 0.000 1.191 897 W CB 0.651 30.186 29.460 0.126 0.000 1.389 897 W HN 0.275 nan 8.180 nan 0.000 0.561 898 L N 4.435 125.618 121.223 -0.067 0.000 2.426 898 L HA 0.860 5.200 4.340 -0.000 0.000 0.255 898 L C -0.086 176.642 176.870 -0.237 0.000 1.080 898 L CA 0.265 54.906 54.840 -0.332 0.000 0.960 898 L CB 0.253 42.233 42.059 -0.133 0.000 1.326 898 L HN 0.869 nan 8.230 nan 0.000 0.441 899 G N 2.721 111.307 108.800 -0.357 0.000 2.731 899 G HA2 0.337 4.297 3.960 -0.000 0.000 0.309 899 G HA3 0.337 4.297 3.960 -0.000 0.000 0.309 899 G C -1.499 173.397 174.900 -0.007 0.000 1.273 899 G CA -0.937 44.161 45.100 -0.002 0.000 0.798 899 G HN 0.170 nan 8.290 nan 0.000 0.509 900 L N 1.272 122.614 121.223 0.199 0.000 2.360 900 L HA 0.565 4.905 4.340 -0.000 0.000 0.276 900 L C 0.942 177.772 176.870 -0.066 0.000 1.121 900 L CA 0.489 55.371 54.840 0.070 0.000 0.845 900 L CB 0.496 42.584 42.059 0.048 0.000 1.143 900 L HN 0.900 nan 8.230 nan 0.000 0.452 901 G N 3.740 112.213 108.800 -0.545 0.000 2.570 901 G HA2 0.342 4.302 3.960 -0.000 0.000 0.310 901 G HA3 0.342 4.302 3.960 -0.000 0.000 0.310 901 G C -2.686 171.400 174.900 -1.357 0.000 1.266 901 G CA -0.260 44.184 45.100 -1.094 0.000 0.825 901 G HN 0.311 nan 8.290 nan 0.000 0.483 902 P HA 0.103 nan 4.420 nan 0.000 0.240 902 P C 0.145 177.219 177.300 -0.376 0.000 1.190 902 P CA 0.554 63.041 63.100 -1.022 0.000 0.781 902 P CB 0.434 31.729 31.700 -0.675 0.000 0.931 903 Q N 0.533 120.125 119.800 -0.348 0.000 2.193 903 Q HA 0.234 4.574 4.340 -0.000 0.000 0.246 903 Q C 0.084 175.956 176.000 -0.213 0.000 0.959 903 Q CA -0.916 54.757 55.803 -0.217 0.000 0.904 903 Q CB 0.973 29.610 28.738 -0.170 0.000 1.238 903 Q HN 0.065 nan 8.270 nan 0.000 0.469 904 E N 1.843 121.930 120.200 -0.188 0.000 3.072 904 E HA -0.180 4.170 4.350 -0.000 0.000 0.241 904 E C -1.071 175.458 176.600 -0.118 0.000 0.962 904 E CA 0.279 56.571 56.400 -0.180 0.000 0.955 904 E CB -0.111 29.552 29.700 -0.062 0.000 0.899 904 E HN 0.555 nan 8.360 nan 0.000 0.547 905 N N 3.249 121.802 118.700 -0.245 0.000 2.240 905 N HA 0.384 5.124 4.740 -0.000 0.000 0.302 905 N C -1.637 173.693 175.510 -0.300 0.000 1.106 905 N CA -0.689 52.276 53.050 -0.141 0.000 0.778 905 N CB 0.875 39.276 38.487 -0.145 0.000 1.431 905 N HN 0.168 nan 8.380 nan 0.000 0.479 906 Y N -0.352 119.867 120.300 -0.135 0.000 2.659 906 Y HA 0.508 5.058 4.550 -0.000 0.000 0.333 906 Y C -1.612 174.244 175.900 -0.073 0.000 1.064 906 Y CA -2.190 55.835 58.100 -0.124 0.000 1.141 906 Y CB 1.381 39.773 38.460 -0.114 0.000 1.316 906 Y HN 0.443 nan 8.280 nan 0.000 0.509 907 P HA -0.098 nan 4.420 nan 0.000 0.217 907 P C 0.203 177.481 177.300 -0.037 0.000 1.151 907 P CA 1.790 64.976 63.100 0.143 0.000 0.828 907 P CB 0.226 32.103 31.700 0.295 0.000 0.788 908 D N -1.690 118.456 120.400 -0.423 0.000 2.427 908 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 908 D C 0.426 176.563 176.300 -0.272 0.000 1.157 908 D CA -0.216 53.255 54.000 -0.882 0.000 0.828 908 D CB -0.097 39.855 40.800 -1.413 0.000 0.974 908 D HN 0.080 nan 8.370 nan 0.000 0.498 909 R N 0.925 121.383 120.500 -0.071 0.000 2.857 909 R HA 0.157 4.497 4.340 -0.000 0.000 0.216 909 R C -0.893 175.441 176.300 0.057 0.000 1.555 909 R CA -0.134 55.979 56.100 0.022 0.000 1.408 909 R CB 0.023 30.331 30.300 0.014 0.000 1.553 909 R HN 0.121 nan 8.270 nan 0.000 0.708 910 L N -1.650 119.618 121.223 0.074 0.000 3.510 910 L HA 0.345 4.685 4.340 -0.000 0.000 0.324 910 L C 1.132 178.053 176.870 0.085 0.000 1.307 910 L CA -0.076 54.800 54.840 0.060 0.000 1.011 910 L CB 0.313 42.400 42.059 0.046 0.000 1.422 910 L HN 0.104 nan 8.230 nan 0.000 0.617 911 T N -2.701 111.931 114.554 0.129 0.000 2.812 911 T HA 0.056 4.406 4.350 -0.000 0.000 0.264 911 T C 1.724 176.457 174.700 0.056 0.000 1.042 911 T CA 1.218 63.420 62.100 0.170 0.000 1.140 911 T CB -0.308 68.725 68.868 0.275 0.000 0.870 911 T HN 0.378 nan 8.240 nan 0.000 0.445 912 A N 1.414 124.282 122.820 0.080 0.000 2.206 912 A HA 0.670 4.990 4.320 -0.000 0.000 0.211 912 A C 1.490 179.124 177.584 0.083 0.000 1.158 912 A CA 0.367 52.436 52.037 0.053 0.000 0.761 912 A CB -0.832 18.333 19.000 0.274 0.000 0.801 912 A HN 0.811 nan 8.150 nan 0.000 0.473 913 A N -0.643 122.171 122.820 -0.010 0.000 2.362 913 A HA 0.469 4.789 4.320 -0.000 0.000 0.276 913 A C -0.041 177.492 177.584 -0.086 0.000 1.153 913 A CA -0.278 51.692 52.037 -0.112 0.000 0.813 913 A CB -0.201 18.723 19.000 -0.127 0.000 1.081 913 A HN 0.368 nan 8.150 nan 0.000 0.507 914 C N 2.166 121.363 119.300 -0.172 0.000 2.350 914 C HA 0.426 4.886 4.460 -0.000 0.000 0.348 914 C C 0.273 175.278 174.990 0.025 0.000 1.260 914 C CA -0.263 58.712 59.018 -0.073 0.000 1.966 914 C CB -0.162 27.511 27.740 -0.110 0.000 2.380 914 C HN 0.774 nan 8.230 nan 0.000 0.535 915 F N 4.965 124.756 119.950 -0.265 0.000 2.468 915 F HA 0.332 4.859 4.527 -0.000 0.000 0.356 915 F C 0.435 175.970 175.800 -0.442 0.000 1.167 915 F CA 0.873 58.592 58.000 -0.468 0.000 1.135 915 F CB -0.351 37.831 39.000 -1.365 0.000 1.197 915 F HN 0.661 nan 8.300 nan 0.000 0.569 916 D N 3.782 123.712 120.400 -0.784 0.000 2.946 916 D HA 0.217 4.857 4.640 -0.000 0.000 0.337 916 D C -1.329 174.049 176.300 -1.537 0.000 1.332 916 D CA -0.817 52.532 54.000 -1.085 0.000 0.935 916 D CB 1.798 41.964 40.800 -1.058 0.000 1.440 916 D HN 0.406 nan 8.370 nan 0.000 0.540 917 R N 0.725 120.372 120.500 -1.421 0.000 2.202 917 R HA 0.366 4.706 4.340 -0.000 0.000 0.334 917 R C -1.130 174.211 176.300 -1.599 0.000 1.036 917 R CA -0.387 54.983 56.100 -1.217 0.000 0.878 917 R CB 0.341 30.233 30.300 -0.680 0.000 1.067 917 R HN 0.211 nan 8.270 nan 0.000 0.457 918 W N 2.729 123.425 121.300 -1.007 0.000 2.516 918 W HA 0.367 5.027 4.660 -0.000 0.000 0.343 918 W C -0.411 175.751 176.519 -0.596 0.000 1.094 918 W CA -0.509 56.176 57.345 -1.100 0.000 1.250 918 W CB 1.317 29.442 29.460 -2.225 0.000 1.308 918 W HN 0.452 nan 8.180 nan 0.000 0.588 919 D N 2.066 122.418 120.400 -0.081 0.000 2.470 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.233 919 D C -1.511 174.884 176.300 0.158 0.000 1.372 919 D CA -0.214 53.832 54.000 0.076 0.000 0.994 919 D CB 0.396 41.193 40.800 -0.005 0.000 1.377 919 D HN 0.329 nan 8.370 nan 0.000 0.586 920 L N 2.886 124.266 121.223 0.262 0.000 2.376 920 L HA 0.713 5.053 4.340 -0.000 0.000 0.258 920 L C -2.239 174.740 176.870 0.182 0.000 1.013 920 L CA -2.376 52.586 54.840 0.204 0.000 0.822 920 L CB 2.136 44.329 42.059 0.224 0.000 1.388 920 L HN 0.155 nan 8.230 nan 0.000 0.413 921 P HA -0.009 nan 4.420 nan 0.000 0.269 921 P C 0.498 177.876 177.300 0.130 0.000 1.217 921 P CA -0.242 62.926 63.100 0.115 0.000 0.783 921 P CB 0.771 32.520 31.700 0.082 0.000 0.898 922 L N 2.300 123.602 121.223 0.131 0.000 2.201 922 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 922 L C 2.261 179.185 176.870 0.090 0.000 1.105 922 L CA 2.216 57.130 54.840 0.122 0.000 0.775 922 L CB -1.102 41.047 42.059 0.150 0.000 0.913 922 L HN 0.440 nan 8.230 nan 0.000 0.440 923 S N -1.704 114.048 115.700 0.087 0.000 2.423 923 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 923 S C 1.376 176.041 174.600 0.107 0.000 1.014 923 S CA 1.125 59.382 58.200 0.096 0.000 0.965 923 S CB -0.586 62.662 63.200 0.080 0.000 0.785 923 S HN 0.484 nan 8.310 nan 0.000 0.495 924 D N 0.940 121.389 120.400 0.082 0.000 2.324 924 D HA 0.174 4.814 4.640 -0.000 0.000 0.235 924 D C 0.948 177.264 176.300 0.027 0.000 1.095 924 D CA 0.347 54.379 54.000 0.053 0.000 0.871 924 D CB 0.068 40.903 40.800 0.059 0.000 0.906 924 D HN 0.409 nan 8.370 nan 0.000 0.522 925 M N -0.605 119.021 119.600 0.043 0.000 2.371 925 M HA 0.095 4.575 4.480 -0.000 0.000 0.246 925 M C -0.159 176.152 176.300 0.019 0.000 1.103 925 M CA -0.132 55.156 55.300 -0.020 0.000 1.010 925 M CB -0.259 32.325 32.600 -0.026 0.000 1.457 925 M HN -0.030 nan 8.290 nan 0.000 0.486 926 Y N 0.550 120.805 120.300 -0.075 0.000 2.376 926 Y HA 0.482 5.032 4.550 -0.000 0.000 0.340 926 Y C -0.749 175.068 175.900 -0.138 0.000 0.965 926 Y CA -0.788 57.268 58.100 -0.074 0.000 1.078 926 Y CB 1.245 39.720 38.460 0.025 0.000 1.193 926 Y HN -0.101 nan 8.280 nan 0.000 0.452 927 T N 8.798 122.878 114.554 -0.791 0.000 2.743 927 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 927 T C -2.752 171.180 174.700 -1.279 0.000 0.972 927 T CA -1.597 59.938 62.100 -0.942 0.000 0.967 927 T CB 1.051 69.349 68.868 -0.951 0.000 0.926 927 T HN 0.457 nan 8.240 nan 0.000 0.459 928 P HA 0.171 nan 4.420 nan 0.000 0.225 928 P C -0.881 176.291 177.300 -0.212 0.000 1.813 928 P CA -0.598 62.091 63.100 -0.685 0.000 1.013 928 P CB -0.535 30.904 31.700 -0.435 0.000 1.961 929 Y N 0.860 121.075 120.300 -0.142 0.000 2.697 929 Y HA -0.073 4.477 4.550 -0.000 0.000 0.349 929 Y C 2.201 178.152 175.900 0.085 0.000 1.120 929 Y CA -0.160 57.930 58.100 -0.016 0.000 1.468 929 Y CB -0.219 38.159 38.460 -0.137 0.000 1.182 929 Y HN -0.010 nan 8.280 nan 0.000 0.525 930 V N 3.520 123.668 119.914 0.391 0.000 2.295 930 V HA -0.370 3.750 4.120 -0.000 0.000 0.262 930 V C 0.745 177.023 176.094 0.306 0.000 1.098 930 V CA 1.997 64.499 62.300 0.336 0.000 1.095 930 V CB -0.755 31.304 31.823 0.394 0.000 0.704 930 V HN 0.610 nan 8.190 nan 0.000 0.454 931 F N 3.001 123.022 119.950 0.117 0.000 2.388 931 F HA 0.575 5.102 4.527 -0.000 0.000 0.358 931 F C -2.464 173.327 175.800 -0.015 0.000 1.122 931 F CA -3.534 54.482 58.000 0.026 0.000 1.056 931 F CB 1.112 40.075 39.000 -0.061 0.000 1.155 931 F HN -0.053 nan 8.300 nan 0.000 0.461 932 P HA 0.259 nan 4.420 nan 0.000 0.271 932 P C -0.967 176.030 177.300 -0.505 0.000 1.216 932 P CA 0.124 62.974 63.100 -0.418 0.000 0.776 932 P CB 1.324 32.784 31.700 -0.400 0.000 0.881 933 S N 0.251 115.827 115.700 -0.206 0.000 2.755 933 S HA 0.431 4.901 4.470 -0.000 0.000 0.286 933 S C -0.748 173.826 174.600 -0.044 0.000 1.207 933 S CA -0.888 57.235 58.200 -0.129 0.000 0.892 933 S CB 0.429 63.579 63.200 -0.082 0.000 1.240 933 S HN 0.352 nan 8.310 nan 0.000 0.525 934 E N 1.147 121.341 120.200 -0.011 0.000 2.415 934 E HA 0.495 4.845 4.350 -0.000 0.000 0.262 934 E C -0.174 176.480 176.600 0.091 0.000 1.038 934 E CA 0.526 56.950 56.400 0.041 0.000 0.921 934 E CB 0.103 29.864 29.700 0.101 0.000 0.950 934 E HN 0.865 nan 8.360 nan 0.000 0.438 935 N N 0.842 119.616 118.700 0.124 0.000 3.501 935 N HA 0.414 5.154 4.740 -0.000 0.000 0.235 935 N C 0.248 175.780 175.510 0.037 0.000 1.442 935 N CA -0.479 52.680 53.050 0.181 0.000 0.872 935 N CB 0.503 39.083 38.487 0.156 0.000 1.414 935 N HN 0.776 nan 8.380 nan 0.000 0.485 936 G N -1.182 107.600 108.800 -0.031 0.000 2.241 936 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 936 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 936 G C 0.033 174.684 174.900 -0.416 0.000 0.998 936 G CA 0.214 45.198 45.100 -0.192 0.000 0.621 936 G HN 0.881 nan 8.290 nan 0.000 0.519 937 L N 1.728 122.649 121.223 -0.502 0.000 2.536 937 L HA 0.445 4.785 4.340 -0.000 0.000 0.294 937 L C 0.714 177.025 176.870 -0.932 0.000 1.257 937 L CA 0.699 55.021 54.840 -0.863 0.000 0.850 937 L CB 0.301 41.634 42.059 -1.210 0.000 1.105 937 L HN 0.452 nan 8.230 nan 0.000 0.517 938 R N 3.926 123.762 120.500 -1.107 0.000 2.510 938 R HA 0.445 4.785 4.340 -0.000 0.000 0.287 938 R C -1.165 174.747 176.300 -0.646 0.000 1.084 938 R CA -0.760 54.805 56.100 -0.891 0.000 0.934 938 R CB 0.365 30.090 30.300 -0.958 0.000 1.201 938 R HN 0.592 nan 8.270 nan 0.000 0.431 939 C N 0.150 119.227 119.300 -0.371 0.000 2.352 939 C HA 0.649 5.109 4.460 -0.000 0.000 0.387 939 C C 1.510 176.465 174.990 -0.058 0.000 1.294 939 C CA 0.440 59.334 59.018 -0.207 0.000 2.137 939 C CB 0.897 28.549 27.740 -0.146 0.000 2.146 939 C HN 1.080 nan 8.230 nan 0.000 0.559 940 G N 1.990 110.777 108.800 -0.023 0.000 2.412 940 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.297 940 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.297 940 G C -0.085 174.854 174.900 0.065 0.000 0.965 940 G CA 0.559 45.692 45.100 0.054 0.000 1.134 940 G HN 0.808 nan 8.290 nan 0.000 0.511 941 T N -0.345 114.112 114.554 -0.161 0.000 2.837 941 T HA 0.478 4.828 4.350 -0.000 0.000 0.285 941 T C 1.609 176.020 174.700 -0.481 0.000 0.984 941 T CA -0.562 61.416 62.100 -0.203 0.000 1.049 941 T CB 1.569 70.408 68.868 -0.048 0.000 0.947 941 T HN 0.397 nan 8.240 nan 0.000 0.472 942 R N 1.248 121.701 120.500 -0.078 0.000 2.123 942 R HA 0.202 4.542 4.340 -0.000 0.000 0.209 942 R C 0.804 177.162 176.300 0.096 0.000 1.078 942 R CA 0.345 56.450 56.100 0.009 0.000 1.028 942 R CB 0.514 30.928 30.300 0.191 0.000 0.939 942 R HN 0.652 nan 8.270 nan 0.000 0.463 943 E N 1.084 121.375 120.200 0.153 0.000 2.314 943 E HA 0.270 4.620 4.350 -0.000 0.000 0.272 943 E C -1.791 174.985 176.600 0.293 0.000 0.884 943 E CA -0.751 55.803 56.400 0.258 0.000 0.753 943 E CB 2.113 31.940 29.700 0.211 0.000 1.213 943 E HN -0.081 nan 8.360 nan 0.000 0.432 944 L N 3.824 125.269 121.223 0.370 0.000 2.404 944 L HA 0.514 4.854 4.340 -0.000 0.000 0.272 944 L C -1.967 175.141 176.870 0.397 0.000 0.980 944 L CA -0.493 54.505 54.840 0.263 0.000 0.836 944 L CB 1.436 43.514 42.059 0.032 0.000 1.238 944 L HN 0.428 nan 8.230 nan 0.000 0.408 945 N N 5.021 123.913 118.700 0.319 0.000 2.446 945 N HA 0.366 5.106 4.740 -0.000 0.000 0.265 945 N C -1.772 173.981 175.510 0.404 0.000 0.975 945 N CA -0.156 53.094 53.050 0.332 0.000 0.928 945 N CB 1.483 40.095 38.487 0.209 0.000 1.160 945 N HN 0.575 nan 8.380 nan 0.000 0.495 946 Y N 1.576 122.075 120.300 0.331 0.000 2.317 946 Y HA 0.466 5.016 4.550 -0.000 0.000 0.325 946 Y C 0.721 176.760 175.900 0.232 0.000 1.066 946 Y CA 0.066 58.334 58.100 0.280 0.000 1.203 946 Y CB 0.527 39.168 38.460 0.303 0.000 1.127 946 Y HN 0.844 nan 8.280 nan 0.000 0.451 947 G N 6.401 115.111 108.800 -0.150 0.000 2.547 947 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.271 947 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.271 947 G C -1.651 173.161 174.900 -0.147 0.000 1.209 947 G CA -0.049 44.918 45.100 -0.222 0.000 0.959 947 G HN 0.522 nan 8.290 nan 0.000 0.563 948 P HA 0.021 nan 4.420 nan 0.000 0.221 948 P C 0.701 177.838 177.300 -0.272 0.000 1.150 948 P CA 1.355 64.286 63.100 -0.281 0.000 0.800 948 P CB -0.212 31.251 31.700 -0.394 0.000 0.787 949 H N -0.012 119.029 119.070 -0.049 0.000 2.871 949 H HA 0.259 4.815 4.556 -0.000 0.000 0.355 949 H C 0.695 175.899 175.328 -0.206 0.000 1.092 949 H CA 0.303 56.243 56.048 -0.180 0.000 1.420 949 H CB 0.268 29.843 29.762 -0.312 0.000 1.400 949 H HN 0.081 nan 8.280 nan 0.000 0.604 950 Q N 3.631 123.293 119.800 -0.231 0.000 2.281 950 Q HA 0.186 4.526 4.340 -0.000 0.000 0.263 950 Q C -1.943 173.969 176.000 -0.147 0.000 0.989 950 Q CA -0.713 55.061 55.803 -0.048 0.000 0.852 950 Q CB 1.442 30.229 28.738 0.082 0.000 1.337 950 Q HN 0.637 nan 8.270 nan 0.000 0.418 951 W N 4.081 125.433 121.300 0.086 0.000 2.632 951 W HA 0.613 5.273 4.660 -0.000 0.000 0.328 951 W C -0.256 176.373 176.519 0.184 0.000 1.044 951 W CA -0.906 56.442 57.345 0.004 0.000 1.225 951 W CB 2.072 31.326 29.460 -0.343 0.000 1.396 951 W HN 0.558 nan 8.180 nan 0.000 0.499 952 R N 0.992 121.740 120.500 0.414 0.000 2.750 952 R HA 0.858 5.198 4.340 -0.000 0.000 0.281 952 R C 0.086 176.659 176.300 0.456 0.000 0.972 952 R CA -0.692 55.661 56.100 0.422 0.000 0.912 952 R CB 2.296 32.763 30.300 0.278 0.000 1.187 952 R HN 0.732 nan 8.270 nan 0.000 0.464 953 G N 0.766 109.844 108.800 0.463 0.000 2.334 953 G HA2 0.045 4.005 3.960 -0.000 0.000 0.249 953 G HA3 0.045 4.005 3.960 -0.000 0.000 0.249 953 G C -1.911 173.142 174.900 0.255 0.000 1.327 953 G CA -0.556 44.785 45.100 0.402 0.000 0.979 953 G HN 0.541 nan 8.290 nan 0.000 0.471 954 D N -0.031 120.510 120.400 0.235 0.000 2.336 954 D HA 0.654 5.294 4.640 -0.000 0.000 0.248 954 D C -0.457 175.825 176.300 -0.031 0.000 1.326 954 D CA -0.450 53.531 54.000 -0.032 0.000 0.973 954 D CB 0.338 41.165 40.800 0.044 0.000 1.255 954 D HN 0.681 nan 8.370 nan 0.000 0.558 955 F N -0.003 119.955 119.950 0.013 0.000 2.950 955 F HA 0.687 5.214 4.527 -0.000 0.000 0.327 955 F C -1.406 174.359 175.800 -0.058 0.000 1.197 955 F CA -1.044 56.902 58.000 -0.090 0.000 0.954 955 F CB 0.717 39.651 39.000 -0.109 0.000 1.442 955 F HN -0.064 nan 8.300 nan 0.000 0.509 956 Q N 1.551 121.452 119.800 0.169 0.000 2.356 956 Q HA 0.597 4.937 4.340 -0.000 0.000 0.270 956 Q C -1.441 174.597 176.000 0.063 0.000 1.058 956 Q CA -0.428 55.376 55.803 0.001 0.000 0.802 956 Q CB 2.750 31.357 28.738 -0.219 0.000 1.303 956 Q HN 0.829 nan 8.270 nan 0.000 0.444 957 F N -0.665 119.156 119.950 -0.215 0.000 2.664 957 F HA 0.804 5.331 4.527 -0.000 0.000 0.317 957 F C -1.412 174.148 175.800 -0.400 0.000 1.108 957 F CA -1.126 56.688 58.000 -0.309 0.000 0.957 957 F CB 1.603 40.423 39.000 -0.299 0.000 1.365 957 F HN 0.549 nan 8.300 nan 0.000 0.475 958 N N 0.954 119.499 118.700 -0.258 0.000 2.277 958 N HA 0.653 5.393 4.740 -0.000 0.000 0.286 958 N C -2.148 173.319 175.510 -0.072 0.000 1.140 958 N CA -0.718 52.160 53.050 -0.286 0.000 0.799 958 N CB 2.544 40.861 38.487 -0.282 0.000 1.596 958 N HN 1.094 nan 8.380 nan 0.000 0.473 959 I N 1.060 121.585 120.570 -0.076 0.000 2.534 959 I HA 0.630 4.800 4.170 -0.000 0.000 0.286 959 I C -1.154 174.905 176.117 -0.097 0.000 1.094 959 I CA -0.013 61.211 61.300 -0.126 0.000 1.055 959 I CB 1.161 39.023 38.000 -0.230 0.000 1.225 959 I HN 0.995 nan 8.210 nan 0.000 0.435 960 S N 6.646 122.311 115.700 -0.057 0.000 2.843 960 S HA 0.575 5.045 4.470 -0.000 0.000 0.301 960 S C -0.119 174.430 174.600 -0.085 0.000 1.206 960 S CA -0.906 57.270 58.200 -0.039 0.000 0.875 960 S CB 1.921 65.166 63.200 0.076 0.000 1.248 960 S HN 0.634 nan 8.310 nan 0.000 0.555 961 R N 0.012 120.321 120.500 -0.318 0.000 2.507 961 R HA 0.281 4.621 4.340 -0.000 0.000 0.298 961 R C -1.079 174.888 176.300 -0.556 0.000 0.999 961 R CA 0.121 55.970 56.100 -0.419 0.000 1.082 961 R CB -0.357 29.588 30.300 -0.591 0.000 1.246 961 R HN 0.599 nan 8.270 nan 0.000 0.553 962 Y N 0.081 120.324 120.300 -0.095 0.000 2.425 962 Y HA 0.233 4.783 4.550 -0.000 0.000 0.344 962 Y C 0.626 176.220 175.900 -0.510 0.000 0.969 962 Y CA -1.254 56.691 58.100 -0.258 0.000 1.052 962 Y CB 1.523 39.794 38.460 -0.315 0.000 1.215 962 Y HN -0.093 nan 8.280 nan 0.000 0.451 963 S N 1.911 117.228 115.700 -0.637 0.000 2.580 963 S HA 0.081 4.551 4.470 -0.000 0.000 0.274 963 S C 0.786 175.049 174.600 -0.561 0.000 1.329 963 S CA -0.720 56.817 58.200 -1.104 0.000 1.036 963 S CB 1.219 63.697 63.200 -1.205 0.000 0.919 963 S HN 0.768 nan 8.310 nan 0.000 0.515 964 Q N 1.356 120.841 119.800 -0.525 0.000 2.197 964 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 964 Q C 2.048 177.889 176.000 -0.264 0.000 0.984 964 Q CA 1.730 57.354 55.803 -0.298 0.000 0.869 964 Q CB -0.392 28.212 28.738 -0.224 0.000 0.906 964 Q HN 0.906 nan 8.270 nan 0.000 0.426 965 Q N 0.555 120.167 119.800 -0.313 0.000 2.084 965 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 965 Q C 2.121 178.000 176.000 -0.202 0.000 0.978 965 Q CA 1.250 56.922 55.803 -0.218 0.000 0.844 965 Q CB 0.090 28.718 28.738 -0.183 0.000 0.898 965 Q HN 0.433 nan 8.270 nan 0.000 0.426 966 Q N 0.015 119.670 119.800 -0.242 0.000 1.993 966 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 966 Q C 2.325 178.189 176.000 -0.227 0.000 0.984 966 Q CA 1.196 56.871 55.803 -0.214 0.000 0.837 966 Q CB -0.100 28.496 28.738 -0.235 0.000 0.902 966 Q HN 0.412 nan 8.270 nan 0.000 0.423 967 L N 0.551 121.628 121.223 -0.244 0.000 1.991 967 L HA -0.288 4.052 4.340 -0.000 0.000 0.221 967 L C 2.758 179.470 176.870 -0.264 0.000 1.079 967 L CA 2.133 56.820 54.840 -0.255 0.000 0.778 967 L CB -0.890 41.046 42.059 -0.205 0.000 0.893 967 L HN 0.533 nan 8.230 nan 0.000 0.437 968 M N -0.740 118.730 119.600 -0.216 0.000 2.557 968 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 968 M C 1.310 177.500 176.300 -0.185 0.000 1.086 968 M CA 1.597 56.776 55.300 -0.202 0.000 1.096 968 M CB -0.142 32.353 32.600 -0.175 0.000 1.424 968 M HN 0.211 nan 8.290 nan 0.000 0.488 969 E N 0.606 120.702 120.200 -0.174 0.000 2.460 969 E HA 0.103 4.453 4.350 -0.000 0.000 0.200 969 E C -0.281 176.244 176.600 -0.125 0.000 1.011 969 E CA 0.192 56.516 56.400 -0.127 0.000 0.912 969 E CB 0.540 30.181 29.700 -0.097 0.000 0.953 969 E HN 0.458 nan 8.360 nan 0.000 0.494 970 T N 0.447 114.890 114.554 -0.185 0.000 2.795 970 T HA 0.135 4.485 4.350 -0.000 0.000 0.282 970 T C 1.113 175.676 174.700 -0.227 0.000 0.980 970 T CA -0.501 61.489 62.100 -0.183 0.000 1.012 970 T CB 1.730 70.462 68.868 -0.227 0.000 0.936 970 T HN 0.004 nan 8.240 nan 0.000 0.457 971 S N 1.345 116.996 115.700 -0.083 0.000 2.458 971 S HA 0.060 4.530 4.470 -0.000 0.000 0.223 971 S C 0.236 174.743 174.600 -0.155 0.000 1.019 971 S CA 0.198 58.401 58.200 0.006 0.000 0.937 971 S CB -0.336 63.005 63.200 0.236 0.000 0.788 971 S HN 0.766 nan 8.310 nan 0.000 0.511 972 H N 0.853 119.845 119.070 -0.130 0.000 2.600 972 H HA 0.506 5.062 4.556 -0.000 0.000 0.357 972 H C 1.088 176.308 175.328 -0.180 0.000 1.106 972 H CA -0.709 55.279 56.048 -0.100 0.000 1.193 972 H CB 1.510 31.162 29.762 -0.183 0.000 1.594 972 H HN 0.127 nan 8.280 nan 0.000 0.526 973 R N 2.495 123.040 120.500 0.074 0.000 2.139 973 R HA -0.215 4.125 4.340 -0.000 0.000 0.243 973 R C 1.104 177.390 176.300 -0.023 0.000 1.145 973 R CA 2.084 58.192 56.100 0.013 0.000 0.976 973 R CB -0.499 29.849 30.300 0.080 0.000 0.866 973 R HN 0.836 nan 8.270 nan 0.000 0.449 974 H N 0.766 119.820 119.070 -0.026 0.000 2.545 974 H HA 0.019 4.575 4.556 -0.000 0.000 0.282 974 H C 1.513 176.757 175.328 -0.140 0.000 1.020 974 H CA 0.833 56.823 56.048 -0.096 0.000 1.243 974 H CB -0.163 29.506 29.762 -0.155 0.000 1.377 974 H HN 0.340 nan 8.280 nan 0.000 0.581 975 L N 0.871 121.737 121.223 -0.594 0.000 2.585 975 L HA 0.215 4.555 4.340 -0.000 0.000 0.226 975 L C 0.763 177.525 176.870 -0.182 0.000 1.113 975 L CA -0.151 54.441 54.840 -0.414 0.000 0.876 975 L CB 0.149 41.933 42.059 -0.458 0.000 1.072 975 L HN 0.048 nan 8.230 nan 0.000 0.468 976 L N 1.485 122.587 121.223 -0.202 0.000 2.456 976 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 976 L C 0.133 177.015 176.870 0.020 0.000 1.189 976 L CA 0.075 54.788 54.840 -0.211 0.000 0.846 976 L CB 0.215 41.953 42.059 -0.535 0.000 1.111 976 L HN 0.234 nan 8.230 nan 0.000 0.475 977 H N 1.864 121.012 119.070 0.131 0.000 2.667 977 H HA 0.578 5.134 4.556 -0.000 0.000 0.353 977 H C -0.658 174.723 175.328 0.087 0.000 1.072 977 H CA -1.173 54.936 56.048 0.103 0.000 1.214 977 H CB 1.235 31.005 29.762 0.014 0.000 1.600 977 H HN 0.686 nan 8.280 nan 0.000 0.527 978 A N 3.672 126.505 122.820 0.022 0.000 2.561 978 A HA 0.084 4.404 4.320 -0.000 0.000 0.234 978 A C 0.320 177.873 177.584 -0.051 0.000 1.055 978 A CA -0.025 51.855 52.037 -0.262 0.000 0.756 978 A CB 0.085 18.927 19.000 -0.263 0.000 0.986 978 A HN 0.859 nan 8.150 nan 0.000 0.505 979 E N 0.932 121.066 120.200 -0.109 0.000 2.284 979 E HA 0.182 4.532 4.350 -0.000 0.000 0.255 979 E C 0.526 177.139 176.600 0.021 0.000 1.052 979 E CA -0.849 55.592 56.400 0.068 0.000 0.904 979 E CB 0.710 30.529 29.700 0.198 0.000 1.217 979 E HN 0.793 nan 8.360 nan 0.000 0.438 980 E N 0.386 120.606 120.200 0.033 0.000 2.068 980 E HA -0.240 4.110 4.350 -0.000 0.000 0.207 980 E C 1.110 177.666 176.600 -0.073 0.000 1.032 980 E CA 1.886 58.270 56.400 -0.027 0.000 0.839 980 E CB -0.095 29.587 29.700 -0.030 0.000 0.758 980 E HN 0.576 nan 8.360 nan 0.000 0.457 981 G N -1.312 107.406 108.800 -0.135 0.000 3.434 981 G HA2 0.221 4.181 3.960 -0.000 0.000 0.197 981 G HA3 0.221 4.181 3.960 -0.000 0.000 0.197 981 G C -0.509 174.329 174.900 -0.102 0.000 1.559 981 G CA -0.028 44.991 45.100 -0.134 0.000 0.852 981 G HN 0.126 nan 8.290 nan 0.000 0.682 982 T N 0.417 114.896 114.554 -0.124 0.000 2.949 982 T HA 0.354 4.704 4.350 -0.000 0.000 0.300 982 T C -1.462 173.141 174.700 -0.163 0.000 0.988 982 T CA -0.246 61.815 62.100 -0.066 0.000 0.993 982 T CB 1.418 70.338 68.868 0.086 0.000 0.984 982 T HN 0.326 nan 8.240 nan 0.000 0.442 983 W N 2.786 123.995 121.300 -0.151 0.000 2.251 983 W HA 0.660 5.320 4.660 -0.000 0.000 0.329 983 W C -0.138 176.250 176.519 -0.219 0.000 1.234 983 W CA -0.544 56.705 57.345 -0.159 0.000 1.228 983 W CB 0.723 30.100 29.460 -0.139 0.000 1.135 983 W HN 0.458 nan 8.180 nan 0.000 0.576 984 L N 3.779 125.030 121.223 0.047 0.000 2.455 984 L HA 0.503 4.843 4.340 -0.000 0.000 0.264 984 L C -1.323 175.454 176.870 -0.154 0.000 0.968 984 L CA -0.465 54.272 54.840 -0.171 0.000 0.827 984 L CB 1.517 43.340 42.059 -0.394 0.000 1.317 984 L HN 0.354 nan 8.230 nan 0.000 0.407 985 N N 6.550 125.132 118.700 -0.195 0.000 2.399 985 N HA 0.489 5.229 4.740 -0.000 0.000 0.280 985 N C -1.338 174.012 175.510 -0.267 0.000 1.008 985 N CA -0.381 52.547 53.050 -0.203 0.000 0.894 985 N CB 2.468 40.861 38.487 -0.157 0.000 1.273 985 N HN 0.491 nan 8.380 nan 0.000 0.486 986 I N 2.044 122.412 120.570 -0.337 0.000 2.371 986 I HA 0.222 4.392 4.170 -0.000 0.000 0.282 986 I C -0.441 175.489 176.117 -0.311 0.000 1.031 986 I CA -0.434 60.628 61.300 -0.396 0.000 1.180 986 I CB 1.137 38.739 38.000 -0.664 0.000 1.336 986 I HN 0.198 nan 8.210 nan 0.000 0.467 987 D N 4.448 124.701 120.400 -0.245 0.000 2.177 987 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 987 D C 1.062 177.127 176.300 -0.393 0.000 1.063 987 D CA -0.097 53.720 54.000 -0.304 0.000 0.867 987 D CB 2.622 43.311 40.800 -0.185 0.000 1.168 987 D HN 0.684 nan 8.370 nan 0.000 0.445 988 G N 0.965 109.282 108.800 -0.805 0.000 2.662 988 G HA2 0.144 4.104 3.960 -0.000 0.000 0.212 988 G HA3 0.144 4.104 3.960 -0.000 0.000 0.212 988 G C -0.053 174.082 174.900 -1.275 0.000 1.141 988 G CA 0.215 44.602 45.100 -1.190 0.000 0.797 988 G HN 0.359 nan 8.290 nan 0.000 0.531 989 F N -1.536 118.217 119.950 -0.328 0.000 2.688 989 F HA 0.498 5.025 4.527 -0.000 0.000 0.308 989 F C -0.813 174.891 175.800 -0.161 0.000 1.117 989 F CA -1.358 56.506 58.000 -0.226 0.000 0.976 989 F CB 1.603 40.372 39.000 -0.385 0.000 1.291 989 F HN -0.054 nan 8.300 nan 0.000 0.439 990 H N 2.870 121.946 119.070 0.010 0.000 2.974 990 H HA 0.572 5.128 4.556 -0.000 0.000 0.366 990 H C -1.208 174.137 175.328 0.029 0.000 1.155 990 H CA -0.791 55.233 56.048 -0.041 0.000 1.186 990 H CB 2.478 32.197 29.762 -0.070 0.000 1.799 990 H HN 0.862 nan 8.280 nan 0.000 0.541 991 M N 2.248 121.758 119.600 -0.151 0.000 2.227 991 M HA 0.491 4.971 4.480 -0.000 0.000 0.316 991 M C 0.303 176.660 176.300 0.095 0.000 1.144 991 M CA -0.182 55.115 55.300 -0.007 0.000 1.121 991 M CB 0.872 33.413 32.600 -0.097 0.000 1.440 991 M HN 0.528 nan 8.290 nan 0.000 0.473 992 G N 0.935 109.804 108.800 0.115 0.000 2.664 992 G HA2 0.344 4.304 3.960 -0.000 0.000 0.242 992 G HA3 0.344 4.304 3.960 -0.000 0.000 0.242 992 G C 0.554 175.410 174.900 -0.073 0.000 1.225 992 G CA -0.516 44.584 45.100 0.000 0.000 0.849 992 G HN 0.953 nan 8.290 nan 0.000 0.581 993 I N -0.557 119.927 120.570 -0.145 0.000 2.585 993 I HA 0.381 4.551 4.170 -0.000 0.000 0.254 993 I C 1.481 177.504 176.117 -0.158 0.000 1.129 993 I CA 0.508 61.684 61.300 -0.207 0.000 1.455 993 I CB -0.963 36.819 38.000 -0.364 0.000 1.111 993 I HN 0.953 nan 8.210 nan 0.000 0.433 994 G N 0.869 109.591 108.800 -0.129 0.000 2.632 994 G HA2 0.151 4.111 3.960 -0.000 0.000 0.224 994 G HA3 0.151 4.111 3.960 -0.000 0.000 0.224 994 G C 0.471 175.338 174.900 -0.055 0.000 1.341 994 G CA -0.059 45.004 45.100 -0.062 0.000 0.880 994 G HN 1.384 nan 8.290 nan 0.000 0.566 995 G N -2.052 106.732 108.800 -0.027 0.000 2.456 995 G HA2 0.082 4.042 3.960 -0.000 0.000 0.208 995 G HA3 0.082 4.042 3.960 -0.000 0.000 0.208 995 G C 0.493 175.423 174.900 0.051 0.000 1.004 995 G CA 0.945 46.036 45.100 -0.015 0.000 0.791 995 G HN 0.977 nan 8.290 nan 0.000 0.537 996 D N 1.137 121.576 120.400 0.065 0.000 2.311 996 D HA 0.181 4.821 4.640 -0.000 0.000 0.212 996 D C 0.976 177.278 176.300 0.004 0.000 0.972 996 D CA 1.974 56.075 54.000 0.167 0.000 0.887 996 D CB 0.195 41.103 40.800 0.180 0.000 0.915 996 D HN 0.864 nan 8.370 nan 0.000 0.497 997 D N -3.834 116.366 120.400 -0.333 0.000 2.755 997 D HA 0.228 4.868 4.640 -0.000 0.000 0.277 997 D C -0.912 174.886 176.300 -0.837 0.000 1.261 997 D CA -0.725 52.641 54.000 -1.056 0.000 0.759 997 D CB 0.568 40.355 40.800 -1.689 0.000 1.279 997 D HN -0.311 nan 8.370 nan 0.000 0.420 998 S N -0.224 114.878 115.700 -0.996 0.000 2.581 998 S HA 0.284 4.754 4.470 -0.000 0.000 0.245 998 S C -0.850 173.806 174.600 0.093 0.000 1.115 998 S CA -0.667 57.462 58.200 -0.118 0.000 1.093 998 S CB -0.464 62.989 63.200 0.421 0.000 0.853 998 S HN 0.546 nan 8.310 nan 0.000 0.479 999 W N 0.731 122.049 121.300 0.031 0.000 1.686 999 W HA 0.589 5.249 4.660 -0.000 0.000 0.263 999 W C -0.075 176.433 176.519 -0.018 0.000 0.860 999 W CA -0.605 56.733 57.345 -0.013 0.000 1.635 999 W CB -0.665 28.697 29.460 -0.162 0.000 0.998 999 W HN 0.187 nan 8.180 nan 0.000 0.464 1000 S N -1.010 114.594 115.700 -0.160 0.000 2.578 1000 S HA 0.578 5.048 4.470 -0.000 0.000 0.272 1000 S C -3.216 171.321 174.600 -0.104 0.000 1.145 1000 S CA -1.346 56.795 58.200 -0.098 0.000 0.835 1000 S CB 1.306 64.465 63.200 -0.069 0.000 1.104 1000 S HN -0.197 nan 8.310 nan 0.000 0.458 1001 P HA 0.229 nan 4.420 nan 0.000 0.262 1001 P C 0.203 177.514 177.300 0.018 0.000 1.199 1001 P CA -0.032 63.059 63.100 -0.015 0.000 0.763 1001 P CB 0.608 32.193 31.700 -0.192 0.000 0.790 1002 S N 0.705 116.448 115.700 0.071 0.000 2.846 1002 S HA 0.198 4.668 4.470 -0.000 0.000 0.249 1002 S C 0.142 174.798 174.600 0.093 0.000 1.028 1002 S CA -0.429 57.796 58.200 0.042 0.000 1.043 1002 S CB -0.250 62.932 63.200 -0.030 0.000 0.990 1002 S HN 0.122 nan 8.310 nan 0.000 0.564 1003 V N 3.825 123.847 119.914 0.181 0.000 2.364 1003 V HA 0.462 4.582 4.120 -0.000 0.000 0.272 1003 V C 0.686 176.920 176.094 0.234 0.000 1.036 1003 V CA -0.609 61.798 62.300 0.177 0.000 0.880 1003 V CB 0.800 32.691 31.823 0.113 0.000 0.991 1003 V HN 0.627 nan 8.190 nan 0.000 0.460 1004 S N 4.250 120.102 115.700 0.253 0.000 2.584 1004 S HA 0.432 4.902 4.470 -0.000 0.000 0.270 1004 S C 1.483 176.234 174.600 0.252 0.000 1.346 1004 S CA -0.007 58.338 58.200 0.242 0.000 1.018 1004 S CB 1.396 64.725 63.200 0.214 0.000 0.899 1004 S HN 1.026 nan 8.310 nan 0.000 0.542 1005 A N 2.000 124.919 122.820 0.166 0.000 1.869 1005 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1005 A C 1.963 179.589 177.584 0.070 0.000 1.203 1005 A CA 2.202 54.324 52.037 0.141 0.000 0.638 1005 A CB -1.590 17.468 19.000 0.096 0.000 0.831 1005 A HN 0.989 nan 8.150 nan 0.000 0.450 1006 E N -0.605 119.563 120.200 -0.054 0.000 2.236 1006 E HA -0.234 4.116 4.350 -0.000 0.000 0.205 1006 E C 0.847 177.181 176.600 -0.443 0.000 1.028 1006 E CA 1.774 57.988 56.400 -0.309 0.000 0.827 1006 E CB -0.587 28.799 29.700 -0.524 0.000 0.735 1006 E HN 0.729 nan 8.360 nan 0.000 0.470 1007 F N 0.424 120.430 119.950 0.093 0.000 2.684 1007 F HA 0.286 4.813 4.527 -0.000 0.000 0.298 1007 F C 0.442 176.292 175.800 0.084 0.000 1.120 1007 F CA -0.319 57.733 58.000 0.087 0.000 1.332 1007 F CB 0.205 39.252 39.000 0.078 0.000 0.986 1007 F HN -0.151 nan 8.300 nan 0.000 0.524 1008 Q N 0.874 120.811 119.800 0.228 0.000 2.256 1008 Q HA 0.455 4.795 4.340 -0.000 0.000 0.257 1008 Q C -0.260 175.852 176.000 0.187 0.000 0.936 1008 Q CA -0.572 55.387 55.803 0.259 0.000 0.903 1008 Q CB 1.681 30.669 28.738 0.418 0.000 1.263 1008 Q HN 0.258 nan 8.270 nan 0.000 0.440 1009 L N 2.880 124.186 121.223 0.138 0.000 2.415 1009 L HA 0.107 4.447 4.340 -0.000 0.000 0.269 1009 L C 0.505 177.336 176.870 -0.066 0.000 1.244 1009 L CA 0.000 54.861 54.840 0.035 0.000 1.113 1009 L CB -0.346 41.632 42.059 -0.134 0.000 1.352 1009 L HN 0.593 nan 8.230 nan 0.000 0.433 1010 S N -0.694 114.914 115.700 -0.154 0.000 2.624 1010 S HA 0.298 4.768 4.470 -0.000 0.000 0.246 1010 S C 1.151 175.613 174.600 -0.228 0.000 1.072 1010 S CA 0.036 57.904 58.200 -0.552 0.000 1.045 1010 S CB 0.972 63.973 63.200 -0.331 0.000 0.851 1010 S HN 0.522 nan 8.310 nan 0.000 0.480 1011 A N 0.817 123.521 122.820 -0.194 0.000 2.132 1011 A HA 0.614 4.934 4.320 -0.000 0.000 0.213 1011 A C 1.906 179.267 177.584 -0.372 0.000 1.154 1011 A CA 0.813 52.627 52.037 -0.373 0.000 0.753 1011 A CB -0.852 17.820 19.000 -0.546 0.000 0.826 1011 A HN 1.563 nan 8.150 nan 0.000 0.469 1012 G N -0.940 107.664 108.800 -0.328 0.000 2.527 1012 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 1012 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 1012 G C 0.412 175.197 174.900 -0.191 0.000 1.177 1012 G CA 0.226 45.224 45.100 -0.169 0.000 0.695 1012 G HN 0.628 nan 8.290 nan 0.000 0.517 1013 R N -0.271 119.991 120.500 -0.396 0.000 2.513 1013 R HA 0.672 5.012 4.340 -0.000 0.000 0.301 1013 R C -1.571 174.451 176.300 -0.465 0.000 0.968 1013 R CA -0.585 55.365 56.100 -0.250 0.000 0.872 1013 R CB 1.500 31.737 30.300 -0.104 0.000 1.177 1013 R HN 0.242 nan 8.270 nan 0.000 0.444 1014 Y N 0.499 120.879 120.300 0.133 0.000 2.462 1014 Y HA 0.339 4.889 4.550 -0.000 0.000 0.346 1014 Y C -0.376 175.810 175.900 0.477 0.000 0.976 1014 Y CA -0.881 57.352 58.100 0.222 0.000 1.044 1014 Y CB 2.068 40.609 38.460 0.135 0.000 1.230 1014 Y HN 0.584 nan 8.280 nan 0.000 0.455 1015 H N 3.020 122.490 119.070 0.665 0.000 2.782 1015 H HA 0.563 5.119 4.556 -0.000 0.000 0.347 1015 H C -1.834 173.819 175.328 0.542 0.000 1.038 1015 H CA -0.859 55.482 56.048 0.489 0.000 1.255 1015 H CB 0.886 30.814 29.762 0.276 0.000 1.623 1015 H HN 0.535 nan 8.280 nan 0.000 0.525 1016 Y N 1.747 121.813 120.300 -0.389 0.000 2.581 1016 Y HA 0.633 5.183 4.550 -0.000 0.000 0.345 1016 Y C -1.405 174.258 175.900 -0.396 0.000 1.036 1016 Y CA -1.328 56.552 58.100 -0.366 0.000 1.042 1016 Y CB 1.417 39.720 38.460 -0.261 0.000 1.289 1016 Y HN 0.633 nan 8.280 nan 0.000 0.471 1017 Q N 1.947 121.651 119.800 -0.159 0.000 2.365 1017 Q HA 0.758 5.098 4.340 -0.000 0.000 0.269 1017 Q C -1.713 174.314 176.000 0.046 0.000 1.061 1017 Q CA -0.715 55.028 55.803 -0.100 0.000 0.816 1017 Q CB 2.833 31.582 28.738 0.020 0.000 1.325 1017 Q HN 0.811 nan 8.270 nan 0.000 0.446 1018 L N 1.851 123.089 121.223 0.025 0.000 2.445 1018 L HA 0.644 4.984 4.340 -0.000 0.000 0.262 1018 L C -1.469 175.483 176.870 0.137 0.000 0.974 1018 L CA -0.993 53.907 54.840 0.101 0.000 0.822 1018 L CB 2.393 44.472 42.059 0.034 0.000 1.339 1018 L HN 0.387 nan 8.230 nan 0.000 0.409 1019 V N 2.717 122.746 119.914 0.192 0.000 2.349 1019 V HA 0.276 4.396 4.120 -0.000 0.000 0.284 1019 V C -1.054 175.191 176.094 0.252 0.000 1.014 1019 V CA -0.376 62.045 62.300 0.201 0.000 0.826 1019 V CB 1.862 33.784 31.823 0.164 0.000 1.009 1019 V HN 0.586 nan 8.190 nan 0.000 0.431 1020 W N 7.838 129.160 121.300 0.036 0.000 2.342 1020 W HA 0.600 5.260 4.660 -0.000 0.000 0.310 1020 W C 0.131 176.605 176.519 -0.075 0.000 1.128 1020 W CA -1.177 56.096 57.345 -0.121 0.000 1.322 1020 W CB 1.007 30.433 29.460 -0.055 0.000 1.251 1020 W HN 0.751 nan 8.180 nan 0.000 0.439 1021 C N 4.730 124.179 119.300 0.249 0.000 2.913 1021 C HA 0.831 5.291 4.460 -0.000 0.000 0.322 1021 C C -0.302 174.697 174.990 0.015 0.000 1.292 1021 C CA -0.660 58.407 59.018 0.083 0.000 1.649 1021 C CB 1.582 29.374 27.740 0.087 0.000 2.139 1021 C HN 0.581 nan 8.230 nan 0.000 0.475 1022 Q N 0.482 120.264 119.800 -0.030 0.000 2.385 1022 Q HA 0.756 5.096 4.340 -0.000 0.000 0.262 1022 Q C -0.578 175.378 176.000 -0.072 0.000 1.050 1022 Q CA -0.368 55.380 55.803 -0.092 0.000 0.903 1022 Q CB 1.471 30.107 28.738 -0.169 0.000 1.325 1022 Q HN 0.780 nan 8.270 nan 0.000 0.485 1023 K N 0.000 120.332 120.400 -0.113 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.235 56.287 -0.086 0.000 0.838 1023 K CB 0.000 32.456 32.500 -0.074 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543