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 3iap_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIQTHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.078 176.300 -0.371 0.000 0.893 13 R CA 0.000 55.954 56.100 -0.243 0.000 0.921 13 R CB 0.000 30.158 30.300 -0.236 0.000 0.687 14 R N 1.936 122.090 120.500 -0.577 0.000 3.188 14 R HA -0.151 4.189 4.340 -0.000 0.000 0.247 14 R C -0.247 175.483 176.300 -0.949 0.000 0.918 14 R CA 0.828 56.207 56.100 -1.203 0.000 0.629 14 R CB -1.294 28.478 30.300 -0.880 0.000 1.087 14 R HN 0.285 nan 8.270 nan 0.000 0.462 15 D N -0.032 119.979 120.400 -0.648 0.000 2.263 15 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 15 D C 1.635 177.795 176.300 -0.234 0.000 0.971 15 D CA 1.739 55.459 54.000 -0.466 0.000 0.867 15 D CB -0.107 40.246 40.800 -0.744 0.000 0.929 15 D HN 0.731 nan 8.370 nan 0.000 0.492 16 W N 1.319 122.612 121.300 -0.012 0.000 3.077 16 W HA 0.175 4.835 4.660 -0.000 0.000 0.245 16 W C 0.683 177.296 176.519 0.155 0.000 1.316 16 W CA -0.172 57.288 57.345 0.192 0.000 1.537 16 W CB -0.258 29.369 29.460 0.278 0.000 1.131 16 W HN -0.182 nan 8.180 nan 0.000 0.695 17 E N 0.851 120.941 120.200 -0.183 0.000 2.887 17 E HA 0.038 4.388 4.350 -0.000 0.000 0.206 17 E C -0.634 175.814 176.600 -0.254 0.000 0.983 17 E CA -0.196 56.117 56.400 -0.145 0.000 1.141 17 E CB -0.147 29.447 29.700 -0.177 0.000 1.061 17 E HN 0.021 nan 8.360 nan 0.000 0.468 18 N N 1.100 119.683 118.700 -0.196 0.000 2.581 18 N HA 0.139 4.879 4.740 -0.000 0.000 0.279 18 N C -2.302 173.074 175.510 -0.222 0.000 1.124 18 N CA -2.031 50.870 53.050 -0.249 0.000 0.833 18 N CB 1.507 39.850 38.487 -0.239 0.000 1.338 18 N HN -0.191 nan 8.380 nan 0.000 0.533 19 P HA 0.065 nan 4.420 nan 0.000 0.234 19 P C 1.051 178.118 177.300 -0.389 0.000 1.167 19 P CA 0.526 63.334 63.100 -0.487 0.000 0.763 19 P CB 0.164 31.149 31.700 -1.191 0.000 0.835 20 G N -0.183 108.429 108.800 -0.312 0.000 2.511 20 G HA2 0.013 3.973 3.960 -0.000 0.000 0.217 20 G HA3 0.013 3.973 3.960 -0.000 0.000 0.217 20 G C 0.409 175.228 174.900 -0.135 0.000 1.133 20 G CA 0.199 45.166 45.100 -0.223 0.000 0.792 20 G HN 0.213 nan 8.290 nan 0.000 0.539 21 V N 1.813 121.663 119.914 -0.106 0.000 2.304 21 V HA 0.284 4.404 4.120 -0.000 0.000 0.278 21 V C 1.009 177.155 176.094 0.086 0.000 1.018 21 V CA 0.224 62.510 62.300 -0.023 0.000 0.814 21 V CB 1.037 32.821 31.823 -0.065 0.000 1.021 21 V HN 0.349 nan 8.190 nan 0.000 0.440 22 T N 0.817 115.423 114.554 0.086 0.000 3.022 22 T HA 0.291 4.641 4.350 -0.000 0.000 0.250 22 T C 0.349 175.120 174.700 0.118 0.000 1.060 22 T CA 0.175 62.342 62.100 0.111 0.000 1.013 22 T CB 0.296 69.181 68.868 0.028 0.000 0.982 22 T HN 0.665 nan 8.240 nan 0.000 0.508 23 Q N 0.262 120.161 119.800 0.166 0.000 2.578 23 Q HA 0.694 5.034 4.340 -0.000 0.000 0.284 23 Q C -2.146 173.995 176.000 0.235 0.000 0.960 23 Q CA -1.041 54.860 55.803 0.163 0.000 0.809 23 Q CB 1.068 29.818 28.738 0.019 0.000 1.462 23 Q HN 0.239 nan 8.270 nan 0.000 0.392 24 L N 1.855 123.245 121.223 0.280 0.000 2.438 24 L HA 0.599 4.939 4.340 -0.000 0.000 0.270 24 L C -0.609 176.382 176.870 0.202 0.000 0.972 24 L CA -0.918 54.084 54.840 0.269 0.000 0.831 24 L CB 1.863 44.197 42.059 0.459 0.000 1.273 24 L HN 0.836 nan 8.230 nan 0.000 0.405 25 N N 0.958 119.749 118.700 0.150 0.000 2.741 25 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 25 N C 0.120 175.720 175.510 0.149 0.000 1.112 25 N CA 0.806 53.933 53.050 0.129 0.000 0.750 25 N CB -0.842 37.677 38.487 0.053 0.000 1.119 25 N HN 0.651 nan 8.380 nan 0.000 0.561 26 R N 0.839 121.350 120.500 0.019 0.000 2.390 26 R HA 0.403 4.743 4.340 -0.000 0.000 0.291 26 R C 0.503 176.682 176.300 -0.201 0.000 1.070 26 R CA -0.409 55.506 56.100 -0.310 0.000 1.014 26 R CB 0.566 30.657 30.300 -0.347 0.000 1.007 26 R HN 0.122 nan 8.270 nan 0.000 0.466 27 L N 3.066 124.140 121.223 -0.249 0.000 2.464 27 L HA 0.281 4.621 4.340 -0.000 0.000 0.264 27 L C 0.701 177.520 176.870 -0.085 0.000 1.199 27 L CA -0.494 54.283 54.840 -0.105 0.000 0.818 27 L CB 0.742 42.767 42.059 -0.056 0.000 1.102 27 L HN 0.755 nan 8.230 nan 0.000 0.473 28 A N 1.518 124.329 122.820 -0.014 0.000 2.483 28 A HA 0.473 4.793 4.320 -0.000 0.000 0.238 28 A C 0.322 177.912 177.584 0.011 0.000 1.070 28 A CA 0.021 52.057 52.037 -0.000 0.000 0.770 28 A CB 0.131 19.154 19.000 0.037 0.000 1.008 28 A HN 0.800 nan 8.150 nan 0.000 0.497 29 A N 1.510 124.287 122.820 -0.072 0.000 2.351 29 A HA 0.673 4.993 4.320 -0.000 0.000 0.257 29 A C 0.055 177.551 177.584 -0.146 0.000 1.087 29 A CA 0.369 52.284 52.037 -0.203 0.000 0.798 29 A CB -0.073 18.810 19.000 -0.194 0.000 1.033 29 A HN 1.817 nan 8.150 nan 0.000 0.488 30 H N -1.786 117.141 119.070 -0.239 0.000 3.003 30 H HA 0.642 5.198 4.556 -0.000 0.000 0.327 30 H C -3.409 171.625 175.328 -0.492 0.000 1.353 30 H CA -1.954 53.881 56.048 -0.354 0.000 1.142 30 H CB 0.108 29.570 29.762 -0.500 0.000 1.864 30 H HN 0.371 nan 8.280 nan 0.000 0.529 31 P HA 0.184 nan 4.420 nan 0.000 0.272 31 P C -2.566 174.506 177.300 -0.380 0.000 1.240 31 P CA -1.301 61.567 63.100 -0.386 0.000 0.791 31 P CB -0.241 31.155 31.700 -0.507 0.000 0.978 32 P HA 0.020 nan 4.420 nan 0.000 0.261 32 P C -0.856 176.578 177.300 0.224 0.000 1.183 32 P CA 1.043 64.143 63.100 -0.000 0.000 0.761 32 P CB -0.119 31.642 31.700 0.100 0.000 0.785 33 F N 1.828 121.861 119.950 0.138 0.000 2.507 33 F HA 0.624 5.151 4.527 -0.000 0.000 0.327 33 F C 1.023 176.738 175.800 -0.141 0.000 1.068 33 F CA -1.391 56.633 58.000 0.039 0.000 0.965 33 F CB 1.236 40.215 39.000 -0.035 0.000 1.192 33 F HN 0.300 nan 8.300 nan 0.000 0.476 34 A N 0.111 122.841 122.820 -0.150 0.000 2.425 34 A HA 0.321 4.641 4.320 -0.000 0.000 0.201 34 A C 0.682 177.968 177.584 -0.497 0.000 1.431 34 A CA 0.639 52.346 52.037 -0.551 0.000 1.066 34 A CB -0.333 17.818 19.000 -1.416 0.000 1.318 34 A HN 0.890 nan 8.150 nan 0.000 0.534 35 S N 0.388 115.900 115.700 -0.313 0.000 3.608 35 S HA -0.143 4.327 4.470 -0.000 0.000 0.382 35 S C -0.103 174.432 174.600 -0.109 0.000 0.945 35 S CA 0.367 58.453 58.200 -0.190 0.000 1.256 35 S CB -1.648 61.438 63.200 -0.190 0.000 0.913 35 S HN 0.451 nan 8.310 nan 0.000 0.518 36 W N 2.050 123.343 121.300 -0.012 0.000 2.158 36 W HA 0.244 4.904 4.660 -0.000 0.000 0.339 36 W C 1.324 177.837 176.519 -0.010 0.000 1.294 36 W CA -0.514 56.830 57.345 -0.001 0.000 1.231 36 W CB 0.247 29.702 29.460 -0.009 0.000 1.143 36 W HN 0.368 nan 8.180 nan 0.000 0.571 37 R N 2.049 122.693 120.500 0.240 0.000 2.577 37 R HA 0.105 4.445 4.340 -0.000 0.000 0.344 37 R C -0.132 176.236 176.300 0.113 0.000 1.037 37 R CA -0.162 56.021 56.100 0.139 0.000 1.102 37 R CB -0.177 30.188 30.300 0.108 0.000 1.313 37 R HN 0.369 nan 8.270 nan 0.000 0.561 38 N N -0.113 118.663 118.700 0.127 0.000 2.478 38 N HA 0.116 4.856 4.740 -0.000 0.000 0.291 38 N C -0.179 175.308 175.510 -0.040 0.000 1.090 38 N CA -0.009 53.066 53.050 0.042 0.000 0.911 38 N CB 1.880 40.394 38.487 0.046 0.000 1.546 38 N HN -0.251 nan 8.380 nan 0.000 0.500 39 S N 2.173 117.826 115.700 -0.079 0.000 2.402 39 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 39 S C 1.384 175.816 174.600 -0.281 0.000 1.021 39 S CA 0.942 59.051 58.200 -0.152 0.000 0.974 39 S CB 0.080 63.219 63.200 -0.100 0.000 0.800 39 S HN 0.712 nan 8.310 nan 0.000 0.484 40 E N 1.598 121.650 120.200 -0.247 0.000 2.107 40 E HA -0.103 4.246 4.350 -0.000 0.000 0.191 40 E C 1.888 178.280 176.600 -0.347 0.000 0.982 40 E CA 1.004 57.220 56.400 -0.307 0.000 0.809 40 E CB -0.104 29.471 29.700 -0.207 0.000 0.756 40 E HN 0.238 nan 8.360 nan 0.000 0.459 41 E N 0.264 120.282 120.200 -0.303 0.000 2.110 41 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 41 E C 1.976 178.033 176.600 -0.906 0.000 0.988 41 E CA 1.140 57.328 56.400 -0.353 0.000 0.804 41 E CB -0.534 29.119 29.700 -0.078 0.000 0.745 41 E HN 0.372 nan 8.360 nan 0.000 0.458 42 A N 1.571 123.663 122.820 -1.213 0.000 1.877 42 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 42 A C 2.260 179.236 177.584 -1.013 0.000 1.186 42 A CA 1.735 52.734 52.037 -1.731 0.000 0.620 42 A CB -0.528 17.955 19.000 -0.861 0.000 0.822 42 A HN 0.155 nan 8.150 nan 0.000 0.443 43 R N -0.270 119.826 120.500 -0.673 0.000 2.083 43 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 43 R C 2.080 178.123 176.300 -0.428 0.000 1.137 43 R CA 2.214 57.974 56.100 -0.566 0.000 0.951 43 R CB -0.537 29.297 30.300 -0.776 0.000 0.851 43 R HN 0.637 nan 8.270 nan 0.000 0.434 44 T N -2.550 111.765 114.554 -0.398 0.000 3.148 44 T HA 0.007 4.357 4.350 -0.000 0.000 0.253 44 T C 0.376 174.981 174.700 -0.159 0.000 1.134 44 T CA 0.639 62.595 62.100 -0.240 0.000 1.051 44 T CB -0.018 68.736 68.868 -0.190 0.000 0.959 44 T HN 0.410 nan 8.240 nan 0.000 0.525 45 D N 0.674 120.932 120.400 -0.236 0.000 2.870 45 D HA -0.164 4.476 4.640 -0.000 0.000 0.228 45 D C 0.079 176.482 176.300 0.172 0.000 1.147 45 D CA 0.441 54.437 54.000 -0.007 0.000 0.757 45 D CB -1.140 39.708 40.800 0.079 0.000 1.091 45 D HN 0.577 nan 8.370 nan 0.000 0.429 46 R N -0.068 120.502 120.500 0.116 0.000 2.583 46 R HA 0.477 4.817 4.340 -0.000 0.000 0.268 46 R C -2.041 174.498 176.300 0.399 0.000 1.101 46 R CA -1.356 54.860 56.100 0.194 0.000 1.180 46 R CB 0.184 30.541 30.300 0.094 0.000 1.128 46 R HN 0.067 nan 8.270 nan 0.000 0.568 47 P HA -0.065 nan 4.420 nan 0.000 0.267 47 P C -0.852 176.606 177.300 0.263 0.000 1.201 47 P CA 0.338 63.574 63.100 0.227 0.000 0.775 47 P CB 0.619 32.404 31.700 0.141 0.000 0.854 48 S N 0.807 116.557 115.700 0.084 0.000 2.473 48 S HA 0.187 4.657 4.470 -0.000 0.000 0.307 48 S C 0.833 175.457 174.600 0.041 0.000 1.094 48 S CA -0.393 57.793 58.200 -0.023 0.000 1.070 48 S CB 1.061 63.968 63.200 -0.488 0.000 1.019 48 S HN 0.259 nan 8.310 nan 0.000 0.480 49 Q N 2.540 122.402 119.800 0.103 0.000 2.364 49 Q HA 0.006 4.346 4.340 -0.000 0.000 0.207 49 Q C 1.282 177.435 176.000 0.254 0.000 0.970 49 Q CA 1.669 57.564 55.803 0.153 0.000 0.888 49 Q CB 0.013 28.844 28.738 0.155 0.000 0.951 49 Q HN 0.705 nan 8.270 nan 0.000 0.469 50 Q N -1.032 118.865 119.800 0.161 0.000 2.425 50 Q HA 0.184 4.524 4.340 -0.000 0.000 0.204 50 Q C -0.728 175.321 176.000 0.081 0.000 0.933 50 Q CA 0.187 56.071 55.803 0.135 0.000 0.939 50 Q CB 0.507 29.229 28.738 -0.026 0.000 1.044 50 Q HN 0.166 nan 8.270 nan 0.000 0.513 51 L N 0.935 122.195 121.223 0.061 0.000 2.324 51 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 51 L C -1.122 175.808 176.870 0.101 0.000 1.012 51 L CA -0.288 54.576 54.840 0.041 0.000 0.859 51 L CB 0.894 42.907 42.059 -0.076 0.000 1.224 51 L HN -0.140 nan 8.230 nan 0.000 0.429 52 R N 2.628 123.226 120.500 0.164 0.000 2.294 52 R HA 0.448 4.787 4.340 -0.000 0.000 0.319 52 R C -0.366 175.969 176.300 0.059 0.000 0.984 52 R CA -0.504 55.669 56.100 0.123 0.000 0.861 52 R CB 1.770 32.165 30.300 0.158 0.000 1.104 52 R HN 0.663 nan 8.270 nan 0.000 0.451 53 S N 3.199 118.923 115.700 0.040 0.000 2.499 53 S HA 0.180 4.650 4.470 -0.000 0.000 0.275 53 S C 0.861 175.478 174.600 0.029 0.000 1.257 53 S CA -0.547 57.668 58.200 0.024 0.000 1.050 53 S CB 0.425 63.644 63.200 0.033 0.000 0.937 53 S HN 0.558 nan 8.310 nan 0.000 0.490 54 L N 3.998 125.238 121.223 0.028 0.000 2.685 54 L HA 0.260 4.600 4.340 -0.000 0.000 0.233 54 L C 0.212 177.246 176.870 0.273 0.000 1.173 54 L CA -0.394 54.494 54.840 0.081 0.000 0.961 54 L CB -0.439 41.624 42.059 0.007 0.000 1.217 54 L HN 0.509 nan 8.230 nan 0.000 0.478 55 N N 1.301 120.102 118.700 0.167 0.000 2.479 55 N HA 0.464 5.204 4.740 -0.000 0.000 0.257 55 N C 0.655 176.291 175.510 0.210 0.000 1.232 55 N CA 0.967 54.117 53.050 0.167 0.000 0.920 55 N CB 1.250 39.770 38.487 0.056 0.000 1.105 55 N HN 0.308 nan 8.380 nan 0.000 0.444 56 G N 0.619 109.565 108.800 0.244 0.000 2.247 56 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.229 56 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.229 56 G C -1.481 173.626 174.900 0.345 0.000 1.345 56 G CA -0.816 44.420 45.100 0.226 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.473 57 E N 0.204 120.574 120.200 0.283 0.000 2.223 57 E HA 0.428 4.778 4.350 -0.000 0.000 0.282 57 E C -0.899 175.937 176.600 0.393 0.000 1.046 57 E CA -0.077 56.499 56.400 0.294 0.000 0.857 57 E CB 0.856 30.656 29.700 0.167 0.000 1.055 57 E HN 0.343 nan 8.360 nan 0.000 0.409 58 W N 1.794 123.191 121.300 0.160 0.000 2.804 58 W HA 0.396 5.056 4.660 -0.000 0.000 0.352 58 W C 0.190 176.846 176.519 0.228 0.000 1.153 58 W CA -0.714 56.762 57.345 0.217 0.000 1.119 58 W CB 0.793 30.440 29.460 0.312 0.000 1.448 58 W HN 0.180 nan 8.180 nan 0.000 0.600 59 R N 1.519 122.314 120.500 0.491 0.000 2.407 59 R HA 0.532 4.872 4.340 -0.000 0.000 0.303 59 R C -1.544 175.020 176.300 0.440 0.000 0.981 59 R CA -0.877 55.449 56.100 0.376 0.000 0.905 59 R CB 1.230 31.691 30.300 0.269 0.000 1.099 59 R HN 0.429 nan 8.270 nan 0.000 0.459 60 F N 0.807 120.813 119.950 0.094 0.000 2.561 60 F HA 0.627 5.154 4.527 -0.000 0.000 0.313 60 F C -1.332 174.334 175.800 -0.223 0.000 1.126 60 F CA -0.670 57.237 58.000 -0.155 0.000 0.918 60 F CB 1.937 40.749 39.000 -0.313 0.000 1.199 60 F HN 0.616 nan 8.300 nan 0.000 0.444 61 A N 4.962 127.083 122.820 -1.165 0.000 2.393 61 A HA 0.571 4.891 4.320 -0.000 0.000 0.306 61 A C -2.255 174.341 177.584 -1.647 0.000 1.050 61 A CA -0.538 50.835 52.037 -1.106 0.000 0.724 61 A CB 0.678 19.297 19.000 -0.636 0.000 1.248 61 A HN 0.923 nan 8.150 nan 0.000 0.424 62 W N 2.472 122.847 121.300 -1.542 0.000 2.438 62 W HA 0.743 5.403 4.660 -0.000 0.000 0.324 62 W C -1.690 174.102 176.519 -1.213 0.000 1.119 62 W CA -0.271 56.315 57.345 -1.265 0.000 1.221 62 W CB 1.038 30.039 29.460 -0.765 0.000 1.253 62 W HN 0.493 nan 8.180 nan 0.000 0.555 63 F N 6.068 125.273 119.950 -1.242 0.000 2.578 63 F HA 0.322 4.849 4.527 -0.000 0.000 0.311 63 F C -1.294 173.617 175.800 -1.482 0.000 1.094 63 F CA -2.043 55.359 58.000 -0.995 0.000 0.923 63 F CB 2.044 40.639 39.000 -0.674 0.000 1.230 63 F HN 0.210 nan 8.300 nan 0.000 0.450 64 P HA 0.056 nan 4.420 nan 0.000 0.225 64 P C -0.251 176.913 177.300 -0.227 0.000 1.156 64 P CA 0.897 63.740 63.100 -0.429 0.000 0.787 64 P CB 0.708 32.419 31.700 0.018 0.000 0.802 65 A N -0.519 122.179 122.820 -0.203 0.000 2.604 65 A HA 0.522 4.842 4.320 -0.000 0.000 0.295 65 A C -2.413 175.062 177.584 -0.182 0.000 1.067 65 A CA -1.116 50.850 52.037 -0.118 0.000 0.683 65 A CB 0.639 19.632 19.000 -0.010 0.000 1.281 65 A HN -0.268 nan 8.150 nan 0.000 0.407 66 P HA -0.110 nan 4.420 nan 0.000 0.222 66 P C 0.624 177.834 177.300 -0.150 0.000 1.147 66 P CA 1.339 64.309 63.100 -0.216 0.000 0.790 66 P CB 0.314 31.863 31.700 -0.252 0.000 0.780 67 E N 0.308 120.470 120.200 -0.064 0.000 2.268 67 E HA -0.028 4.321 4.350 -0.000 0.000 0.195 67 E C 2.115 178.635 176.600 -0.132 0.000 0.995 67 E CA 1.159 57.529 56.400 -0.051 0.000 0.836 67 E CB -0.794 28.913 29.700 0.011 0.000 0.763 67 E HN 0.232 nan 8.360 nan 0.000 0.491 68 A N 0.442 123.146 122.820 -0.193 0.000 2.169 68 A HA 0.071 4.391 4.320 -0.000 0.000 0.212 68 A C 0.773 178.011 177.584 -0.577 0.000 1.153 68 A CA -0.063 51.836 52.037 -0.230 0.000 0.756 68 A CB 0.190 19.144 19.000 -0.077 0.000 0.813 68 A HN 0.042 nan 8.150 nan 0.000 0.471 69 V N 3.397 122.843 119.914 -0.781 0.000 2.479 69 V HA 0.181 4.301 4.120 -0.000 0.000 0.281 69 V C -1.926 173.818 176.094 -0.583 0.000 1.031 69 V CA -1.293 60.327 62.300 -1.134 0.000 1.038 69 V CB 0.434 31.701 31.823 -0.927 0.000 0.981 69 V HN 0.385 nan 8.190 nan 0.000 0.478 70 P HA 0.182 nan 4.420 nan 0.000 0.278 70 P C 0.624 177.860 177.300 -0.107 0.000 1.238 70 P CA -0.374 62.606 63.100 -0.201 0.000 0.794 70 P CB 1.182 32.819 31.700 -0.105 0.000 0.955 71 E N 1.519 121.670 120.200 -0.082 0.000 2.209 71 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 71 E C 1.564 178.131 176.600 -0.054 0.000 0.993 71 E CA 1.567 57.923 56.400 -0.074 0.000 0.819 71 E CB 0.028 29.690 29.700 -0.063 0.000 0.745 71 E HN 0.539 nan 8.360 nan 0.000 0.477 72 S N -0.161 115.529 115.700 -0.017 0.000 2.419 72 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 72 S C 1.667 176.278 174.600 0.018 0.000 1.016 72 S CA 0.819 59.017 58.200 -0.004 0.000 0.974 72 S CB -0.837 62.373 63.200 0.017 0.000 0.786 72 S HN 0.597 nan 8.310 nan 0.000 0.492 73 W N 2.474 123.692 121.300 -0.137 0.000 2.364 73 W HA 0.024 4.684 4.660 -0.000 0.000 0.281 73 W C 1.572 177.994 176.519 -0.162 0.000 1.219 73 W CA 0.920 58.188 57.345 -0.128 0.000 1.220 73 W CB -0.322 29.048 29.460 -0.150 0.000 1.127 73 W HN 0.265 nan 8.180 nan 0.000 0.556 74 L N 0.272 121.268 121.223 -0.378 0.000 2.141 74 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 74 L C 2.360 179.005 176.870 -0.375 0.000 1.094 74 L CA 1.231 55.710 54.840 -0.602 0.000 0.763 74 L CB -0.696 41.033 42.059 -0.549 0.000 0.908 74 L HN -0.048 nan 8.230 nan 0.000 0.437 75 E N -0.794 119.270 120.200 -0.226 0.000 2.251 75 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 75 E C 0.596 177.126 176.600 -0.117 0.000 0.964 75 E CA 0.622 56.942 56.400 -0.134 0.000 0.868 75 E CB 0.529 30.182 29.700 -0.078 0.000 0.828 75 E HN 0.541 nan 8.360 nan 0.000 0.481 76 C N -0.809 118.421 119.300 -0.116 0.000 3.321 76 C HA 0.509 4.969 4.460 -0.000 0.000 0.329 76 C C -0.537 174.432 174.990 -0.034 0.000 1.394 76 C CA -1.417 57.559 59.018 -0.071 0.000 1.291 76 C CB 0.980 28.701 27.740 -0.032 0.000 1.606 76 C HN 0.071 nan 8.230 nan 0.000 0.463 77 D N 0.483 120.888 120.400 0.008 0.000 2.455 77 D HA 0.373 5.013 4.640 -0.000 0.000 0.241 77 D C -0.229 176.141 176.300 0.116 0.000 1.138 77 D CA 0.248 54.294 54.000 0.077 0.000 0.877 77 D CB 0.503 41.343 40.800 0.066 0.000 1.187 77 D HN 0.587 nan 8.370 nan 0.000 0.451 78 L N 5.898 127.236 121.223 0.191 0.000 2.360 78 L HA 0.213 4.553 4.340 -0.000 0.000 0.276 78 L C -1.311 175.619 176.870 0.100 0.000 1.121 78 L CA -1.430 53.504 54.840 0.156 0.000 0.845 78 L CB 1.093 43.265 42.059 0.189 0.000 1.143 78 L HN 0.504 nan 8.230 nan 0.000 0.452 79 P HA -0.149 nan 4.420 nan 0.000 0.220 79 P C 0.688 178.015 177.300 0.046 0.000 1.148 79 P CA 0.997 64.129 63.100 0.053 0.000 0.803 79 P CB 0.283 32.009 31.700 0.042 0.000 0.782 80 E N -0.255 119.969 120.200 0.040 0.000 2.358 80 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 80 E C 0.996 177.603 176.600 0.011 0.000 1.010 80 E CA 0.169 56.580 56.400 0.018 0.000 0.856 80 E CB -0.740 28.959 29.700 -0.000 0.000 0.795 80 E HN 0.163 nan 8.360 nan 0.000 0.504 81 A N 1.547 124.381 122.820 0.023 0.000 2.483 81 A HA 0.092 4.412 4.320 -0.000 0.000 0.238 81 A C -0.076 177.555 177.584 0.079 0.000 1.070 81 A CA -0.172 51.879 52.037 0.023 0.000 0.770 81 A CB 0.281 19.317 19.000 0.061 0.000 1.008 81 A HN -0.021 nan 8.150 nan 0.000 0.497 82 D N 0.418 120.893 120.400 0.125 0.000 2.326 82 D HA 0.427 5.067 4.640 -0.000 0.000 0.251 82 D C -0.492 175.923 176.300 0.192 0.000 1.023 82 D CA 0.045 54.144 54.000 0.165 0.000 0.966 82 D CB 1.373 42.313 40.800 0.233 0.000 1.156 82 D HN 0.434 nan 8.370 nan 0.000 0.494 83 T N 0.641 115.288 114.554 0.155 0.000 2.743 83 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 83 T C 0.266 175.053 174.700 0.145 0.000 0.945 83 T CA -0.593 61.606 62.100 0.165 0.000 1.030 83 T CB 0.666 69.607 68.868 0.122 0.000 0.912 83 T HN 0.271 nan 8.240 nan 0.000 0.483 84 V N 1.241 121.273 119.914 0.197 0.000 3.001 84 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 84 V C -0.250 175.955 176.094 0.185 0.000 1.099 84 V CA -1.088 61.278 62.300 0.111 0.000 0.989 84 V CB 1.720 33.594 31.823 0.086 0.000 1.040 84 V HN 0.519 nan 8.190 nan 0.000 0.434 85 V N 2.561 122.550 119.914 0.125 0.000 2.583 85 V HA 0.461 4.581 4.120 -0.000 0.000 0.287 85 V C 0.108 176.282 176.094 0.133 0.000 1.051 85 V CA -0.065 62.325 62.300 0.149 0.000 1.010 85 V CB 1.238 33.124 31.823 0.106 0.000 0.988 85 V HN 0.747 nan 8.190 nan 0.000 0.478 86 V N 7.266 127.197 119.914 0.028 0.000 2.540 86 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 86 V C -2.234 173.768 176.094 -0.152 0.000 1.035 86 V CA -1.750 60.425 62.300 -0.208 0.000 0.873 86 V CB 2.433 33.775 31.823 -0.803 0.000 0.992 86 V HN 0.765 nan 8.190 nan 0.000 0.428 87 P HA 0.379 nan 4.420 nan 0.000 0.275 87 P C -0.760 176.482 177.300 -0.097 0.000 1.228 87 P CA -0.006 62.984 63.100 -0.184 0.000 0.786 87 P CB 1.339 32.940 31.700 -0.164 0.000 0.927 88 S N 0.741 116.393 115.700 -0.080 0.000 2.578 88 S HA 0.395 4.865 4.470 -0.000 0.000 0.272 88 S C -1.232 173.308 174.600 -0.099 0.000 1.145 88 S CA -1.050 57.108 58.200 -0.071 0.000 0.835 88 S CB 0.371 63.572 63.200 0.002 0.000 1.104 88 S HN 0.346 nan 8.310 nan 0.000 0.458 89 N N 1.228 119.803 118.700 -0.210 0.000 2.426 89 N HA 0.423 5.163 4.740 -0.000 0.000 0.275 89 N C 0.493 175.804 175.510 -0.331 0.000 1.019 89 N CA -0.797 52.075 53.050 -0.295 0.000 0.941 89 N CB 0.586 38.864 38.487 -0.349 0.000 1.123 89 N HN 0.869 nan 8.380 nan 0.000 0.486 90 W N 2.253 123.422 121.300 -0.218 0.000 2.525 90 W HA -0.000 4.660 4.660 -0.000 0.000 0.259 90 W C 0.895 177.405 176.519 -0.016 0.000 1.253 90 W CA 0.498 57.727 57.345 -0.193 0.000 1.262 90 W CB -0.368 28.921 29.460 -0.285 0.000 1.122 90 W HN 0.498 nan 8.180 nan 0.000 0.607 91 Q N 0.501 120.266 119.800 -0.059 0.000 2.224 91 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 91 Q C 2.128 178.063 176.000 -0.109 0.000 0.970 91 Q CA 1.713 57.489 55.803 -0.046 0.000 0.865 91 Q CB -0.467 28.134 28.738 -0.229 0.000 0.922 91 Q HN 0.254 nan 8.270 nan 0.000 0.445 92 M N -0.874 118.600 119.600 -0.211 0.000 2.619 92 M HA -0.012 4.468 4.480 -0.000 0.000 0.251 92 M C 0.502 176.761 176.300 -0.069 0.000 1.106 92 M CA 1.258 56.435 55.300 -0.206 0.000 1.086 92 M CB -0.456 31.983 32.600 -0.269 0.000 1.465 92 M HN 0.364 nan 8.290 nan 0.000 0.506 93 H N -0.756 118.352 119.070 0.062 0.000 2.586 93 H HA 0.337 4.893 4.556 -0.000 0.000 0.273 93 H C 1.032 176.297 175.328 -0.106 0.000 0.997 93 H CA 0.079 56.150 56.048 0.038 0.000 1.177 93 H CB 0.423 30.289 29.762 0.174 0.000 1.471 93 H HN 0.517 nan 8.280 nan 0.000 0.538 94 G N 0.670 109.497 108.800 0.045 0.000 2.212 94 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.255 94 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.255 94 G C 0.058 174.838 174.900 -0.199 0.000 1.062 94 G CA 0.204 45.267 45.100 -0.062 0.000 0.815 94 G HN 0.485 nan 8.290 nan 0.000 0.497 95 Y N 0.863 121.160 120.300 -0.006 0.000 2.347 95 Y HA 0.254 4.804 4.550 -0.000 0.000 0.294 95 Y C 1.598 177.184 175.900 -0.523 0.000 1.117 95 Y CA 1.377 59.313 58.100 -0.274 0.000 1.184 95 Y CB 0.398 38.728 38.460 -0.218 0.000 1.047 95 Y HN 0.595 nan 8.280 nan 0.000 0.546 96 D N -1.461 118.951 120.400 0.020 0.000 2.664 96 D HA 0.488 5.128 4.640 -0.000 0.000 0.292 96 D C -1.021 175.351 176.300 0.120 0.000 1.214 96 D CA -1.044 52.975 54.000 0.031 0.000 0.932 96 D CB 0.801 41.723 40.800 0.203 0.000 1.420 96 D HN -0.042 nan 8.370 nan 0.000 0.471 97 A N 0.235 123.140 122.820 0.142 0.000 2.366 97 A HA 0.579 4.899 4.320 -0.000 0.000 0.272 97 A C -2.201 175.439 177.584 0.094 0.000 1.135 97 A CA -1.069 51.056 52.037 0.146 0.000 0.804 97 A CB -0.229 18.906 19.000 0.226 0.000 1.064 97 A HN 0.505 nan 8.150 nan 0.000 0.499 98 P HA 0.278 nan 4.420 nan 0.000 0.276 98 P C -0.749 176.713 177.300 0.270 0.000 1.253 98 P CA 0.342 63.417 63.100 -0.041 0.000 0.766 98 P CB 0.431 31.869 31.700 -0.437 0.000 0.845 99 I N 4.329 125.082 120.570 0.304 0.000 2.385 99 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 99 I C 0.038 176.304 176.117 0.249 0.000 0.988 99 I CA -0.904 60.577 61.300 0.302 0.000 1.265 99 I CB 0.725 38.888 38.000 0.271 0.000 1.388 99 I HN 0.327 nan 8.210 nan 0.000 0.480 100 Y N 5.640 125.899 120.300 -0.069 0.000 2.341 100 Y HA 0.610 5.160 4.550 -0.000 0.000 0.338 100 Y C -0.348 175.449 175.900 -0.172 0.000 0.965 100 Y CA -0.425 57.472 58.100 -0.340 0.000 1.108 100 Y CB 1.756 39.674 38.460 -0.903 0.000 1.180 100 Y HN 0.594 nan 8.280 nan 0.000 0.458 101 T N 5.278 119.286 114.554 -0.910 0.000 2.894 101 T HA 0.289 4.639 4.350 -0.000 0.000 0.309 101 T C -0.609 173.598 174.700 -0.822 0.000 1.208 101 T CA -0.620 61.013 62.100 -0.778 0.000 1.016 101 T CB 1.434 70.094 68.868 -0.347 0.000 1.192 101 T HN 0.821 nan 8.240 nan 0.000 0.491 102 N N 1.357 119.689 118.700 -0.613 0.000 2.333 102 N HA 0.116 4.856 4.740 -0.000 0.000 0.234 102 N C 1.730 177.062 175.510 -0.296 0.000 1.035 102 N CA 1.118 53.911 53.050 -0.428 0.000 1.171 102 N CB -0.329 37.914 38.487 -0.406 0.000 1.503 102 N HN 0.405 nan 8.380 nan 0.000 0.624 103 V N 1.061 120.792 119.914 -0.305 0.000 2.379 103 V HA 0.021 4.141 4.120 -0.000 0.000 0.243 103 V C 0.663 176.536 176.094 -0.368 0.000 1.035 103 V CA 0.988 63.085 62.300 -0.338 0.000 1.035 103 V CB -0.787 30.781 31.823 -0.426 0.000 0.673 103 V HN 0.338 nan 8.190 nan 0.000 0.457 104 T N 0.234 114.612 114.554 -0.293 0.000 2.930 104 T HA 0.227 4.577 4.350 -0.000 0.000 0.306 104 T C -0.384 174.193 174.700 -0.205 0.000 1.045 104 T CA 0.029 62.005 62.100 -0.207 0.000 1.134 104 T CB 0.103 68.879 68.868 -0.153 0.000 0.961 104 T HN 0.176 nan 8.240 nan 0.000 0.545 105 Y N 3.928 124.126 120.300 -0.169 0.000 2.497 105 Y HA 0.126 4.676 4.550 -0.000 0.000 0.334 105 Y C -0.755 175.030 175.900 -0.193 0.000 1.199 105 Y CA -1.547 56.446 58.100 -0.179 0.000 1.425 105 Y CB 0.630 38.972 38.460 -0.196 0.000 1.291 105 Y HN 0.520 nan 8.280 nan 0.000 0.562 106 P HA -0.052 nan 4.420 nan 0.000 0.233 106 P C -0.147 176.994 177.300 -0.266 0.000 1.167 106 P CA 1.181 64.220 63.100 -0.102 0.000 0.770 106 P CB 0.139 31.845 31.700 0.009 0.000 0.837 107 I N -4.487 115.872 120.570 -0.352 0.000 3.133 107 I HA 0.486 4.656 4.170 -0.000 0.000 0.311 107 I C -0.488 175.494 176.117 -0.225 0.000 1.072 107 I CA -1.241 59.798 61.300 -0.435 0.000 1.015 107 I CB 1.097 38.660 38.000 -0.730 0.000 1.233 107 I HN -0.457 nan 8.210 nan 0.000 0.473 108 T N 2.370 116.821 114.554 -0.172 0.000 2.853 108 T HA 0.182 4.532 4.350 -0.000 0.000 0.298 108 T C 0.311 174.965 174.700 -0.077 0.000 0.978 108 T CA -0.399 61.651 62.100 -0.084 0.000 1.152 108 T CB 0.554 69.401 68.868 -0.036 0.000 0.914 108 T HN 0.389 nan 8.240 nan 0.000 0.539 109 V N 4.586 124.458 119.914 -0.071 0.000 2.266 109 V HA 0.164 4.284 4.120 -0.000 0.000 0.240 109 V C 0.722 176.820 176.094 0.005 0.000 1.225 109 V CA -0.189 62.063 62.300 -0.080 0.000 1.237 109 V CB -1.290 30.496 31.823 -0.061 0.000 1.343 109 V HN 0.843 nan 8.190 nan 0.000 0.496 110 N N 4.783 123.538 118.700 0.092 0.000 2.722 110 N HA 0.298 5.038 4.740 -0.000 0.000 0.242 110 N C -2.834 172.710 175.510 0.056 0.000 1.398 110 N CA -1.176 51.922 53.050 0.081 0.000 0.755 110 N CB 1.902 40.454 38.487 0.109 0.000 1.268 110 N HN 0.248 nan 8.380 nan 0.000 0.522 111 P HA 0.254 nan 4.420 nan 0.000 0.271 111 P C -2.234 174.914 177.300 -0.253 0.000 1.218 111 P CA -0.838 61.903 63.100 -0.598 0.000 0.780 111 P CB 0.785 32.077 31.700 -0.681 0.000 0.901 112 P HA 0.257 nan 4.420 nan 0.000 0.263 112 P C -0.490 176.632 177.300 -0.297 0.000 1.448 112 P CA -0.265 62.575 63.100 -0.433 0.000 0.983 112 P CB -0.065 31.375 31.700 -0.434 0.000 1.481 113 F N 1.104 121.087 119.950 0.055 0.000 2.384 113 F HA 0.295 4.822 4.527 -0.000 0.000 0.338 113 F C 1.250 177.191 175.800 0.234 0.000 1.103 113 F CA -0.878 57.196 58.000 0.124 0.000 1.157 113 F CB 1.045 40.079 39.000 0.057 0.000 1.167 113 F HN -0.225 nan 8.300 nan 0.000 0.529 114 V N 0.393 120.561 119.914 0.423 0.000 3.019 114 V HA 0.675 4.795 4.120 -0.000 0.000 0.317 114 V C -2.662 173.581 176.094 0.249 0.000 1.094 114 V CA -3.033 59.454 62.300 0.312 0.000 1.000 114 V CB 1.233 33.299 31.823 0.406 0.000 1.060 114 V HN 0.474 nan 8.190 nan 0.000 0.443 115 P HA 0.136 nan 4.420 nan 0.000 0.265 115 P C 1.160 178.589 177.300 0.214 0.000 1.187 115 P CA 0.630 63.804 63.100 0.124 0.000 0.766 115 P CB 0.529 32.258 31.700 0.048 0.000 0.820 116 T N -1.018 113.640 114.554 0.172 0.000 2.788 116 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 116 T C 0.681 175.489 174.700 0.180 0.000 1.044 116 T CA 0.866 63.075 62.100 0.181 0.000 1.139 116 T CB -0.451 68.490 68.868 0.122 0.000 0.867 116 T HN 0.276 nan 8.240 nan 0.000 0.454 117 E N 3.234 123.537 120.200 0.171 0.000 1.881 117 E HA 0.218 4.568 4.350 -0.000 0.000 0.264 117 E C -0.634 176.127 176.600 0.267 0.000 1.243 117 E CA -0.008 56.504 56.400 0.186 0.000 0.965 117 E CB -0.174 29.637 29.700 0.185 0.000 1.055 117 E HN 0.375 nan 8.360 nan 0.000 0.412 118 N N 3.857 122.690 118.700 0.221 0.000 2.626 118 N HA 0.243 4.983 4.740 -0.000 0.000 0.249 118 N C -2.836 172.711 175.510 0.062 0.000 1.021 118 N CA -2.388 50.825 53.050 0.271 0.000 0.886 118 N CB 1.090 39.726 38.487 0.249 0.000 1.149 118 N HN -0.066 nan 8.380 nan 0.000 0.517 119 P HA -0.006 nan 4.420 nan 0.000 0.260 119 P C -0.857 176.305 177.300 -0.230 0.000 1.172 119 P CA 0.591 63.621 63.100 -0.117 0.000 0.760 119 P CB 0.405 32.342 31.700 0.394 0.000 0.773 120 T N 2.874 117.033 114.554 -0.659 0.000 2.809 120 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 120 T C 0.270 174.472 174.700 -0.831 0.000 0.992 120 T CA -0.582 61.209 62.100 -0.515 0.000 0.957 120 T CB 1.498 70.119 68.868 -0.412 0.000 0.942 120 T HN 0.327 nan 8.240 nan 0.000 0.439 121 G N 1.224 109.628 108.800 -0.660 0.000 2.347 121 G HA2 0.464 4.424 3.960 -0.000 0.000 0.314 121 G HA3 0.464 4.424 3.960 -0.000 0.000 0.314 121 G C -0.179 174.527 174.900 -0.322 0.000 1.126 121 G CA -0.357 44.313 45.100 -0.717 0.000 0.929 121 G HN 0.867 nan 8.290 nan 0.000 0.441 122 C N 3.395 122.259 119.300 -0.726 0.000 2.225 122 C HA 0.432 4.892 4.460 -0.000 0.000 0.328 122 C C -0.405 174.542 174.990 -0.071 0.000 1.187 122 C CA -0.887 57.824 59.018 -0.513 0.000 1.665 122 C CB -1.741 25.286 27.740 -1.188 0.000 2.253 122 C HN 0.634 nan 8.230 nan 0.000 0.497 123 Y N 2.115 122.729 120.300 0.522 0.000 2.361 123 Y HA 0.597 5.147 4.550 -0.000 0.000 0.332 123 Y C 0.834 177.233 175.900 0.832 0.000 1.101 123 Y CA -0.015 58.510 58.100 0.709 0.000 1.137 123 Y CB 1.435 40.272 38.460 0.628 0.000 1.207 123 Y HN 0.681 nan 8.280 nan 0.000 0.463 124 S N 2.553 118.775 115.700 0.870 0.000 2.556 124 S HA 0.814 5.284 4.470 -0.000 0.000 0.271 124 S C -1.906 172.797 174.600 0.173 0.000 1.135 124 S CA -0.821 57.667 58.200 0.480 0.000 0.858 124 S CB 2.125 65.498 63.200 0.288 0.000 1.114 124 S HN 0.593 nan 8.310 nan 0.000 0.468 125 L N 1.029 122.160 121.223 -0.153 0.000 2.493 125 L HA 0.696 5.036 4.340 -0.000 0.000 0.265 125 L C -1.030 175.791 176.870 -0.082 0.000 0.954 125 L CA 0.094 54.688 54.840 -0.411 0.000 0.844 125 L CB 2.385 43.677 42.059 -1.278 0.000 1.302 125 L HN 0.922 nan 8.230 nan 0.000 0.405 126 T N 5.501 120.030 114.554 -0.041 0.000 2.749 126 T HA 0.688 5.037 4.350 -0.000 0.000 0.287 126 T C -0.793 173.955 174.700 0.081 0.000 0.970 126 T CA 0.018 62.129 62.100 0.018 0.000 0.980 126 T CB 0.168 69.018 68.868 -0.030 0.000 0.924 126 T HN 0.432 nan 8.240 nan 0.000 0.456 127 F N 1.001 120.876 119.950 -0.125 0.000 2.626 127 F HA 0.712 5.239 4.527 -0.000 0.000 0.311 127 F C -0.804 174.945 175.800 -0.086 0.000 1.088 127 F CA -1.320 56.611 58.000 -0.115 0.000 0.949 127 F CB 1.521 40.442 39.000 -0.131 0.000 1.322 127 F HN 0.187 nan 8.300 nan 0.000 0.461 128 N N 1.118 119.783 118.700 -0.058 0.000 2.417 128 N HA 0.632 5.372 4.740 -0.000 0.000 0.300 128 N C -1.427 174.032 175.510 -0.086 0.000 1.102 128 N CA -0.542 52.417 53.050 -0.152 0.000 0.886 128 N CB 2.624 41.043 38.487 -0.113 0.000 1.203 128 N HN 0.503 nan 8.380 nan 0.000 0.496 129 V N 0.752 120.575 119.914 -0.152 0.000 2.628 129 V HA 0.122 4.242 4.120 -0.000 0.000 0.306 129 V C 0.086 175.999 176.094 -0.301 0.000 1.045 129 V CA -0.964 61.225 62.300 -0.185 0.000 0.905 129 V CB 2.002 33.813 31.823 -0.020 0.000 0.997 129 V HN 0.574 nan 8.190 nan 0.000 0.436 130 D N 2.557 122.597 120.400 -0.600 0.000 2.586 130 D HA -0.094 4.546 4.640 -0.000 0.000 0.234 130 D C 1.149 177.275 176.300 -0.289 0.000 1.132 130 D CA 0.539 54.199 54.000 -0.567 0.000 0.860 130 D CB 1.152 41.317 40.800 -1.058 0.000 1.159 130 D HN 0.771 nan 8.370 nan 0.000 0.490 131 E N 2.277 122.386 120.200 -0.152 0.000 2.130 131 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 131 E C 1.765 178.373 176.600 0.013 0.000 0.998 131 E CA 2.077 58.445 56.400 -0.053 0.000 0.806 131 E CB -0.068 29.607 29.700 -0.042 0.000 0.738 131 E HN 0.504 nan 8.360 nan 0.000 0.459 132 S N -1.014 114.703 115.700 0.029 0.000 2.447 132 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 132 S C 1.554 176.277 174.600 0.205 0.000 1.006 132 S CA 0.777 59.045 58.200 0.113 0.000 0.957 132 S CB -0.642 62.632 63.200 0.123 0.000 0.773 132 S HN 0.393 nan 8.310 nan 0.000 0.507 133 W N 1.750 122.944 121.300 -0.176 0.000 2.519 133 W HA 0.352 5.012 4.660 -0.000 0.000 0.266 133 W C 1.748 178.277 176.519 0.016 0.000 1.253 133 W CA -0.444 56.747 57.345 -0.257 0.000 1.274 133 W CB -0.819 28.452 29.460 -0.316 0.000 1.114 133 W HN 0.326 nan 8.180 nan 0.000 0.596 134 L N 0.396 121.755 121.223 0.225 0.000 2.492 134 L HA -0.083 4.257 4.340 -0.000 0.000 0.223 134 L C 2.388 179.333 176.870 0.124 0.000 1.132 134 L CA 1.006 55.941 54.840 0.158 0.000 0.850 134 L CB -0.493 41.621 42.059 0.093 0.000 0.966 134 L HN 0.107 nan 8.230 nan 0.000 0.454 135 Q N -1.354 118.521 119.800 0.125 0.000 2.431 135 Q HA 0.236 4.576 4.340 -0.000 0.000 0.244 135 Q C 0.019 176.079 176.000 0.099 0.000 0.880 135 Q CA 0.068 55.926 55.803 0.092 0.000 0.954 135 Q CB 0.799 29.580 28.738 0.071 0.000 1.105 135 Q HN 0.260 nan 8.270 nan 0.000 0.558 136 E N 0.653 120.935 120.200 0.138 0.000 2.343 136 E HA 0.519 4.869 4.350 -0.000 0.000 0.270 136 E C 0.007 176.716 176.600 0.180 0.000 0.895 136 E CA -0.031 56.446 56.400 0.128 0.000 0.767 136 E CB 2.020 31.789 29.700 0.115 0.000 1.248 136 E HN 0.329 nan 8.360 nan 0.000 0.440 137 G N 1.548 110.379 108.800 0.052 0.000 2.693 137 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 137 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 137 G C -0.590 174.196 174.900 -0.190 0.000 1.354 137 G CA -0.162 44.858 45.100 -0.133 0.000 0.873 137 G HN 0.510 nan 8.290 nan 0.000 0.562 138 Q N -0.228 119.300 119.800 -0.453 0.000 2.333 138 Q HA 0.609 4.949 4.340 -0.000 0.000 0.268 138 Q C -0.846 174.944 176.000 -0.349 0.000 1.007 138 Q CA -0.439 55.201 55.803 -0.272 0.000 0.810 138 Q CB 1.287 29.909 28.738 -0.193 0.000 1.264 138 Q HN 0.630 nan 8.270 nan 0.000 0.452 139 T N 5.078 119.609 114.554 -0.038 0.000 2.758 139 T HA 0.466 4.816 4.350 -0.000 0.000 0.285 139 T C -0.458 174.300 174.700 0.096 0.000 0.981 139 T CA -0.644 61.498 62.100 0.070 0.000 0.965 139 T CB 0.536 69.595 68.868 0.319 0.000 0.927 139 T HN 0.617 nan 8.240 nan 0.000 0.448 140 R N 2.769 123.301 120.500 0.053 0.000 2.778 140 R HA 0.770 5.110 4.340 -0.000 0.000 0.277 140 R C -1.036 175.317 176.300 0.089 0.000 0.977 140 R CA -0.979 55.174 56.100 0.088 0.000 0.950 140 R CB 1.418 31.751 30.300 0.055 0.000 1.165 140 R HN 0.575 nan 8.270 nan 0.000 0.474 141 I N 2.730 123.369 120.570 0.115 0.000 2.392 141 I HA 0.401 4.571 4.170 -0.000 0.000 0.295 141 I C -1.035 175.092 176.117 0.016 0.000 0.985 141 I CA -1.193 60.123 61.300 0.026 0.000 1.221 141 I CB 1.212 39.227 38.000 0.025 0.000 1.366 141 I HN 0.622 nan 8.210 nan 0.000 0.467 142 I N 7.591 128.072 120.570 -0.149 0.000 2.410 142 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 142 I C -1.205 174.734 176.117 -0.296 0.000 1.009 142 I CA -0.339 60.890 61.300 -0.117 0.000 1.111 142 I CB 1.200 39.150 38.000 -0.084 0.000 1.262 142 I HN 0.381 nan 8.210 nan 0.000 0.443 143 F N 4.565 124.494 119.950 -0.035 0.000 2.334 143 F HA 0.273 4.800 4.527 -0.000 0.000 0.367 143 F C 1.262 176.938 175.800 -0.206 0.000 1.115 143 F CA -0.433 57.470 58.000 -0.163 0.000 1.116 143 F CB 0.801 39.650 39.000 -0.252 0.000 1.230 143 F HN 0.463 nan 8.300 nan 0.000 0.484 144 D N 2.303 122.613 120.400 -0.149 0.000 2.269 144 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 144 D C 0.990 177.106 176.300 -0.306 0.000 0.963 144 D CA 0.826 54.690 54.000 -0.226 0.000 0.864 144 D CB 0.436 41.053 40.800 -0.304 0.000 0.936 144 D HN 0.623 nan 8.370 nan 0.000 0.505 145 G N -0.306 108.241 108.800 -0.422 0.000 2.552 145 G HA2 0.446 4.406 3.960 -0.000 0.000 0.288 145 G HA3 0.446 4.406 3.960 -0.000 0.000 0.288 145 G C -1.451 173.127 174.900 -0.537 0.000 1.358 145 G CA -0.393 44.316 45.100 -0.653 0.000 1.305 145 G HN -0.063 nan 8.290 nan 0.000 0.602 146 V N 2.670 122.483 119.914 -0.168 0.000 2.525 146 V HA 0.508 4.628 4.120 -0.000 0.000 0.299 146 V C -0.837 175.336 176.094 0.133 0.000 1.034 146 V CA -1.214 61.024 62.300 -0.104 0.000 0.863 146 V CB 1.961 33.472 31.823 -0.520 0.000 0.999 146 V HN 0.675 nan 8.190 nan 0.000 0.423 147 N N 2.359 121.146 118.700 0.144 0.000 2.446 147 N HA 0.322 5.062 4.740 -0.000 0.000 0.265 147 N C 0.661 176.129 175.510 -0.069 0.000 0.975 147 N CA 0.226 53.277 53.050 0.002 0.000 0.928 147 N CB 2.150 40.488 38.487 -0.249 0.000 1.160 147 N HN 0.744 nan 8.380 nan 0.000 0.495 148 S N 1.785 117.481 115.700 -0.008 0.000 2.520 148 S HA 0.534 5.004 4.470 -0.000 0.000 0.219 148 S C 0.321 174.990 174.600 0.116 0.000 1.028 148 S CA -0.084 58.151 58.200 0.058 0.000 0.921 148 S CB 0.461 63.705 63.200 0.074 0.000 0.844 148 S HN 0.585 nan 8.310 nan 0.000 0.495 149 A N 0.949 123.847 122.820 0.131 0.000 2.594 149 A HA 0.763 5.082 4.320 -0.000 0.000 0.295 149 A C -1.298 176.379 177.584 0.156 0.000 1.071 149 A CA -0.993 51.087 52.037 0.072 0.000 0.685 149 A CB 0.944 20.010 19.000 0.109 0.000 1.285 149 A HN 1.029 nan 8.150 nan 0.000 0.405 150 F N -0.155 119.628 119.950 -0.277 0.000 2.641 150 F HA 0.751 5.278 4.527 -0.000 0.000 0.308 150 F C -0.945 174.744 175.800 -0.185 0.000 1.105 150 F CA -0.762 57.150 58.000 -0.147 0.000 0.964 150 F CB 1.284 40.177 39.000 -0.179 0.000 1.294 150 F HN 0.614 nan 8.300 nan 0.000 0.442 151 H N 2.371 121.534 119.070 0.154 0.000 2.479 151 H HA 0.649 5.205 4.556 -0.000 0.000 0.335 151 H C -1.311 173.911 175.328 -0.177 0.000 1.142 151 H CA -0.662 55.353 56.048 -0.055 0.000 1.234 151 H CB 2.482 32.248 29.762 0.008 0.000 1.503 151 H HN 0.763 nan 8.280 nan 0.000 0.510 152 L N 3.006 123.944 121.223 -0.476 0.000 2.362 152 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 152 L C -1.534 174.969 176.870 -0.612 0.000 0.998 152 L CA -0.518 54.100 54.840 -0.369 0.000 0.820 152 L CB 1.269 43.023 42.059 -0.509 0.000 1.270 152 L HN 0.502 nan 8.230 nan 0.000 0.415 153 W N 4.520 125.789 121.300 -0.052 0.000 2.736 153 W HA 0.560 5.220 4.660 -0.000 0.000 0.335 153 W C -1.058 175.401 176.519 -0.100 0.000 1.059 153 W CA -0.787 56.505 57.345 -0.088 0.000 1.226 153 W CB 2.005 31.449 29.460 -0.027 0.000 1.416 153 W HN 0.550 nan 8.180 nan 0.000 0.505 154 C N 5.302 124.649 119.300 0.078 0.000 2.364 154 C HA 0.286 4.746 4.460 -0.000 0.000 0.324 154 C C 0.358 175.464 174.990 0.192 0.000 1.234 154 C CA -0.327 58.758 59.018 0.111 0.000 1.417 154 C CB -0.720 27.031 27.740 0.017 0.000 2.101 154 C HN 0.811 nan 8.230 nan 0.000 0.466 155 N N 3.665 122.448 118.700 0.139 0.000 2.721 155 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 155 N C 0.942 176.515 175.510 0.104 0.000 1.072 155 N CA 1.927 55.034 53.050 0.094 0.000 0.710 155 N CB -1.380 37.169 38.487 0.102 0.000 0.993 155 N HN 1.790 nan 8.380 nan 0.000 0.547 156 G N -1.181 107.677 108.800 0.097 0.000 2.176 156 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 156 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 156 G C 0.095 175.149 174.900 0.258 0.000 0.979 156 G CA 0.581 45.729 45.100 0.079 0.000 0.641 156 G HN 0.560 nan 8.290 nan 0.000 0.530 157 R N -1.003 119.717 120.500 0.367 0.000 2.393 157 R HA 0.457 4.797 4.340 -0.000 0.000 0.310 157 R C -0.277 176.319 176.300 0.494 0.000 0.968 157 R CA -0.889 55.500 56.100 0.482 0.000 0.867 157 R CB 1.104 31.720 30.300 0.526 0.000 1.124 157 R HN 0.213 nan 8.270 nan 0.000 0.450 158 W N 3.786 125.258 121.300 0.288 0.000 2.303 158 W HA 0.100 4.760 4.660 -0.000 0.000 0.318 158 W C 0.055 176.444 176.519 -0.217 0.000 1.362 158 W CA -0.003 57.226 57.345 -0.194 0.000 1.234 158 W CB 0.678 30.037 29.460 -0.168 0.000 1.248 158 W HN 0.344 nan 8.180 nan 0.000 0.546 159 V N 5.447 124.626 119.914 -1.226 0.000 2.599 159 V HA 0.530 4.650 4.120 -0.000 0.000 0.237 159 V C 1.088 176.267 176.094 -1.525 0.000 1.081 159 V CA 1.131 62.682 62.300 -1.247 0.000 1.107 159 V CB -0.499 30.630 31.823 -1.157 0.000 0.808 159 V HN 0.788 nan 8.190 nan 0.000 0.486 160 G N -1.908 105.770 108.800 -1.870 0.000 2.489 160 G HA2 0.482 4.442 3.960 -0.000 0.000 0.305 160 G HA3 0.482 4.442 3.960 -0.000 0.000 0.305 160 G C -2.443 171.973 174.900 -0.807 0.000 1.311 160 G CA -0.305 43.987 45.100 -1.345 0.000 0.813 160 G HN 0.026 nan 8.290 nan 0.000 0.480 161 Y N -0.411 119.629 120.300 -0.432 0.000 2.504 161 Y HA 0.686 5.236 4.550 -0.000 0.000 0.344 161 Y C -0.093 175.614 175.900 -0.321 0.000 1.023 161 Y CA -0.129 57.695 58.100 -0.460 0.000 1.020 161 Y CB 2.258 40.587 38.460 -0.218 0.000 1.282 161 Y HN 1.087 nan 8.280 nan 0.000 0.454 162 G N 4.246 112.249 108.800 -1.329 0.000 2.667 162 G HA2 0.600 4.560 3.960 -0.000 0.000 0.298 162 G HA3 0.600 4.560 3.960 -0.000 0.000 0.298 162 G C -1.974 172.485 174.900 -0.735 0.000 1.377 162 G CA -0.787 43.835 45.100 -0.798 0.000 0.964 162 G HN 0.633 nan 8.290 nan 0.000 0.493 163 Q N -0.281 119.338 119.800 -0.302 0.000 2.633 163 Q HA 0.565 4.905 4.340 -0.000 0.000 0.292 163 Q C -1.330 174.678 176.000 0.014 0.000 1.089 163 Q CA -0.848 54.897 55.803 -0.096 0.000 0.811 163 Q CB 2.451 31.188 28.738 -0.002 0.000 1.472 163 Q HN 0.634 nan 8.270 nan 0.000 0.464 164 D N -0.250 120.193 120.400 0.072 0.000 4.736 164 D HA -0.100 4.540 4.640 -0.000 0.000 0.234 164 D C -0.505 175.858 176.300 0.104 0.000 1.210 164 D CA 0.525 54.579 54.000 0.091 0.000 1.126 164 D CB -0.478 40.359 40.800 0.061 0.000 0.669 164 D HN 0.538 nan 8.370 nan 0.000 0.319 165 S N 3.525 119.301 115.700 0.127 0.000 2.555 165 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 165 S C 1.530 176.261 174.600 0.218 0.000 0.978 165 S CA 0.501 58.807 58.200 0.176 0.000 0.934 165 S CB 0.309 63.586 63.200 0.128 0.000 0.766 165 S HN 0.474 nan 8.310 nan 0.000 0.533 166 R N 0.099 120.684 120.500 0.142 0.000 2.565 166 R HA 0.440 4.780 4.340 -0.000 0.000 0.347 166 R C -0.436 175.912 176.300 0.081 0.000 1.010 166 R CA 0.048 56.228 56.100 0.135 0.000 1.126 166 R CB 0.233 30.634 30.300 0.167 0.000 1.331 166 R HN 0.319 nan 8.270 nan 0.000 0.552 167 L N 1.752 122.996 121.223 0.035 0.000 2.371 167 L HA 0.514 4.854 4.340 -0.000 0.000 0.262 167 L C -2.371 174.469 176.870 -0.051 0.000 1.006 167 L CA -2.291 52.540 54.840 -0.014 0.000 0.818 167 L CB 2.973 45.022 42.059 -0.017 0.000 1.354 167 L HN -0.215 nan 8.230 nan 0.000 0.415 168 P HA 0.088 nan 4.420 nan 0.000 0.271 168 P C -0.974 176.282 177.300 -0.072 0.000 1.216 168 P CA -0.165 62.878 63.100 -0.095 0.000 0.771 168 P CB 1.077 32.682 31.700 -0.157 0.000 0.864 169 S N 2.280 117.999 115.700 0.032 0.000 2.449 169 S HA 0.317 4.787 4.470 -0.000 0.000 0.310 169 S C -0.312 174.248 174.600 -0.066 0.000 1.096 169 S CA -0.576 57.614 58.200 -0.018 0.000 1.095 169 S CB 0.827 64.182 63.200 0.258 0.000 1.007 169 S HN 0.377 nan 8.310 nan 0.000 0.474 170 E N 1.963 121.908 120.200 -0.425 0.000 2.238 170 E HA 0.591 4.941 4.350 -0.000 0.000 0.267 170 E C -1.460 174.754 176.600 -0.643 0.000 0.887 170 E CA -0.587 55.638 56.400 -0.292 0.000 0.769 170 E CB 1.728 31.363 29.700 -0.108 0.000 1.187 170 E HN 0.420 nan 8.360 nan 0.000 0.416 171 F N 0.500 120.503 119.950 0.088 0.000 2.578 171 F HA 0.208 4.735 4.527 -0.000 0.000 0.311 171 F C -0.061 175.768 175.800 0.049 0.000 1.094 171 F CA -1.124 56.899 58.000 0.038 0.000 0.923 171 F CB 1.591 40.588 39.000 -0.006 0.000 1.230 171 F HN 0.272 nan 8.300 nan 0.000 0.450 172 D N 2.709 123.245 120.400 0.226 0.000 2.343 172 D HA 0.244 4.884 4.640 -0.000 0.000 0.255 172 D C 0.304 176.767 176.300 0.272 0.000 1.187 172 D CA 0.373 54.491 54.000 0.196 0.000 0.875 172 D CB 1.043 41.938 40.800 0.158 0.000 1.136 172 D HN 0.575 nan 8.370 nan 0.000 0.469 173 L N 2.626 124.011 121.223 0.271 0.000 2.728 173 L HA 0.052 4.392 4.340 -0.000 0.000 0.238 173 L C 2.082 179.190 176.870 0.396 0.000 1.143 173 L CA -0.166 54.896 54.840 0.370 0.000 0.937 173 L CB 0.180 42.410 42.059 0.284 0.000 1.225 173 L HN 0.248 nan 8.230 nan 0.000 0.507 174 S N 1.352 117.217 115.700 0.276 0.000 2.365 174 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 174 S C 2.060 176.745 174.600 0.142 0.000 1.039 174 S CA 1.711 60.027 58.200 0.192 0.000 1.033 174 S CB -0.135 63.136 63.200 0.118 0.000 0.887 174 S HN 0.539 nan 8.310 nan 0.000 0.447 175 A N -0.496 122.370 122.820 0.076 0.000 2.235 175 A HA 0.298 4.618 4.320 -0.000 0.000 0.208 175 A C 1.351 178.766 177.584 -0.281 0.000 1.172 175 A CA 0.439 52.390 52.037 -0.143 0.000 0.786 175 A CB -0.479 18.350 19.000 -0.284 0.000 0.804 175 A HN 0.490 nan 8.150 nan 0.000 0.479 176 F N -0.773 119.227 119.950 0.083 0.000 2.653 176 F HA 0.339 4.866 4.527 -0.000 0.000 0.288 176 F C 0.725 176.574 175.800 0.081 0.000 1.121 176 F CA -0.259 57.792 58.000 0.085 0.000 1.384 176 F CB 0.030 39.088 39.000 0.097 0.000 1.115 176 F HN -0.056 nan 8.300 nan 0.000 0.599 177 L N 2.153 123.534 121.223 0.264 0.000 2.452 177 L HA 0.317 4.657 4.340 -0.000 0.000 0.267 177 L C 0.365 177.288 176.870 0.087 0.000 1.188 177 L CA -0.139 54.805 54.840 0.174 0.000 0.821 177 L CB 0.599 42.784 42.059 0.211 0.000 1.102 177 L HN 0.142 nan 8.230 nan 0.000 0.470 178 R N 1.955 122.469 120.500 0.023 0.000 2.855 178 R HA 0.819 5.159 4.340 -0.000 0.000 0.266 178 R C -1.060 175.218 176.300 -0.037 0.000 1.034 178 R CA -0.966 55.132 56.100 -0.003 0.000 0.944 178 R CB 1.403 31.695 30.300 -0.013 0.000 1.219 178 R HN 0.523 nan 8.270 nan 0.000 0.474 179 A N 0.857 123.658 122.820 -0.032 0.000 2.483 179 A HA 0.500 4.820 4.320 -0.000 0.000 0.238 179 A C 1.037 178.577 177.584 -0.073 0.000 1.070 179 A CA 0.938 52.947 52.037 -0.047 0.000 0.770 179 A CB -0.672 18.309 19.000 -0.031 0.000 1.008 179 A HN 1.359 nan 8.150 nan 0.000 0.497 180 G N 1.272 110.019 108.800 -0.089 0.000 2.512 180 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.254 180 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.254 180 G C -0.148 174.659 174.900 -0.156 0.000 1.199 180 G CA 0.238 45.276 45.100 -0.103 0.000 0.941 180 G HN 1.032 nan 8.290 nan 0.000 0.569 181 E N 1.551 121.660 120.200 -0.151 0.000 2.344 181 E HA 0.285 4.635 4.350 -0.000 0.000 0.270 181 E C 0.177 176.612 176.600 -0.274 0.000 1.021 181 E CA -0.042 56.235 56.400 -0.205 0.000 0.887 181 E CB 0.355 29.972 29.700 -0.138 0.000 0.997 181 E HN 0.415 nan 8.360 nan 0.000 0.429 182 N N 2.529 120.931 118.700 -0.496 0.000 2.362 182 N HA 0.395 5.134 4.740 -0.000 0.000 0.299 182 N C -0.760 174.502 175.510 -0.413 0.000 1.170 182 N CA -0.653 52.054 53.050 -0.572 0.000 0.825 182 N CB 2.129 39.981 38.487 -1.058 0.000 1.299 182 N HN 0.276 nan 8.380 nan 0.000 0.502 183 R N 1.610 122.040 120.500 -0.116 0.000 2.532 183 R HA 0.440 4.780 4.340 -0.000 0.000 0.297 183 R C -1.244 175.162 176.300 0.177 0.000 0.984 183 R CA -0.523 55.607 56.100 0.049 0.000 0.884 183 R CB 1.059 31.338 30.300 -0.034 0.000 1.182 183 R HN 0.473 nan 8.270 nan 0.000 0.442 184 L N 3.169 124.535 121.223 0.237 0.000 2.307 184 L HA 0.661 5.001 4.340 -0.000 0.000 0.282 184 L C -0.155 176.803 176.870 0.147 0.000 1.051 184 L CA -0.708 54.260 54.840 0.214 0.000 0.804 184 L CB 1.845 44.021 42.059 0.195 0.000 1.197 184 L HN 0.704 nan 8.230 nan 0.000 0.431 185 A N 3.650 126.565 122.820 0.160 0.000 2.332 185 A HA 0.720 5.039 4.320 -0.000 0.000 0.300 185 A C -0.904 176.999 177.584 0.531 0.000 1.153 185 A CA -0.452 51.602 52.037 0.029 0.000 0.764 185 A CB 1.311 19.877 19.000 -0.724 0.000 1.174 185 A HN 0.390 nan 8.150 nan 0.000 0.467 186 V N 3.714 124.111 119.914 0.804 0.000 2.350 186 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 186 V C 0.009 176.648 176.094 0.909 0.000 1.014 186 V CA -0.249 62.508 62.300 0.762 0.000 0.831 186 V CB 1.337 33.438 31.823 0.464 0.000 1.000 186 V HN 0.961 nan 8.190 nan 0.000 0.433 187 M N 6.287 126.426 119.600 0.899 0.000 2.069 187 M HA 0.490 4.970 4.480 -0.000 0.000 0.349 187 M C -1.209 175.340 176.300 0.416 0.000 1.194 187 M CA -0.290 55.350 55.300 0.567 0.000 1.081 187 M CB 0.835 33.806 32.600 0.618 0.000 1.500 187 M HN 0.466 nan 8.290 nan 0.000 0.438 188 V N 6.737 126.868 119.914 0.362 0.000 2.407 188 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 188 V C -0.173 176.076 176.094 0.257 0.000 1.037 188 V CA -0.606 61.911 62.300 0.363 0.000 0.900 188 V CB 1.279 33.420 31.823 0.530 0.000 0.983 188 V HN 0.766 nan 8.190 nan 0.000 0.459 189 L N 5.053 126.371 121.223 0.158 0.000 2.282 189 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 189 L C 1.477 178.387 176.870 0.066 0.000 1.033 189 L CA -0.259 54.601 54.840 0.032 0.000 0.807 189 L CB 1.186 43.160 42.059 -0.141 0.000 1.209 189 L HN 0.600 nan 8.230 nan 0.000 0.423 190 R N 2.977 123.489 120.500 0.020 0.000 2.073 190 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 190 R C -0.365 175.667 176.300 -0.446 0.000 1.134 190 R CA 1.371 57.281 56.100 -0.317 0.000 0.952 190 R CB 0.169 30.180 30.300 -0.480 0.000 0.850 190 R HN 0.572 nan 8.270 nan 0.000 0.433 191 W N 0.266 121.651 121.300 0.142 0.000 2.606 191 W HA 0.424 5.084 4.660 -0.000 0.000 0.332 191 W C -0.297 176.360 176.519 0.229 0.000 1.052 191 W CA -0.783 56.656 57.345 0.158 0.000 1.223 191 W CB 1.736 31.291 29.460 0.159 0.000 1.383 191 W HN 0.056 nan 8.180 nan 0.000 0.524 192 S N -0.920 115.095 115.700 0.525 0.000 2.688 192 S HA 0.222 4.692 4.470 -0.000 0.000 0.275 192 S C 0.096 174.991 174.600 0.492 0.000 1.175 192 S CA -0.457 58.056 58.200 0.521 0.000 0.818 192 S CB 1.169 64.644 63.200 0.458 0.000 1.157 192 S HN 0.624 nan 8.310 nan 0.000 0.482 193 D N 0.260 120.938 120.400 0.464 0.000 2.310 193 D HA 0.085 4.725 4.640 -0.000 0.000 0.212 193 D C 1.730 178.363 176.300 0.555 0.000 0.965 193 D CA 1.083 55.394 54.000 0.519 0.000 0.879 193 D CB -0.638 40.314 40.800 0.253 0.000 0.921 193 D HN 0.694 nan 8.370 nan 0.000 0.510 194 G N 0.120 109.166 108.800 0.409 0.000 2.443 194 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 194 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 194 G C 1.682 176.785 174.900 0.339 0.000 1.131 194 G CA 0.626 45.934 45.100 0.346 0.000 0.775 194 G HN 0.305 nan 8.290 nan 0.000 0.547 195 S N -0.046 115.860 115.700 0.344 0.000 2.419 195 S HA -0.094 4.375 4.470 -0.000 0.000 0.233 195 S C 1.872 176.609 174.600 0.228 0.000 1.016 195 S CA 0.678 59.047 58.200 0.282 0.000 0.974 195 S CB -0.382 63.017 63.200 0.332 0.000 0.786 195 S HN 0.547 nan 8.310 nan 0.000 0.492 196 Y N 1.113 121.571 120.300 0.264 0.000 2.421 196 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 196 Y C 1.587 177.579 175.900 0.154 0.000 1.136 196 Y CA 0.631 58.826 58.100 0.159 0.000 1.255 196 Y CB -0.199 38.233 38.460 -0.047 0.000 0.991 196 Y HN 0.198 nan 8.280 nan 0.000 0.552 197 L N -0.524 120.885 121.223 0.309 0.000 2.667 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.232 197 L C 0.002 177.001 176.870 0.214 0.000 1.138 197 L CA 0.371 55.346 54.840 0.225 0.000 0.921 197 L CB 0.172 42.373 42.059 0.237 0.000 1.180 197 L HN 0.076 nan 8.230 nan 0.000 0.487 198 E N 0.078 120.414 120.200 0.226 0.000 3.846 198 E HA 0.058 4.408 4.350 -0.000 0.000 0.216 198 E C -0.612 176.085 176.600 0.161 0.000 1.092 198 E CA -0.069 56.451 56.400 0.200 0.000 1.370 198 E CB 0.534 30.349 29.700 0.190 0.000 1.227 198 E HN 0.008 nan 8.360 nan 0.000 0.442 199 D N 1.263 121.719 120.400 0.093 0.000 3.071 199 D HA 0.062 4.702 4.640 -0.000 0.000 0.259 199 D C -0.417 175.868 176.300 -0.025 0.000 1.331 199 D CA -0.294 53.659 54.000 -0.079 0.000 0.861 199 D CB 0.133 40.678 40.800 -0.426 0.000 1.059 199 D HN 0.040 nan 8.370 nan 0.000 0.486 200 Q N 0.491 120.361 119.800 0.116 0.000 2.364 200 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 200 Q C -0.238 175.848 176.000 0.144 0.000 0.999 200 Q CA -0.006 55.932 55.803 0.224 0.000 0.886 200 Q CB 0.778 29.803 28.738 0.478 0.000 1.243 200 Q HN 0.105 nan 8.270 nan 0.000 0.415 201 D N 3.395 123.890 120.400 0.158 0.000 2.441 201 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 201 D C -0.688 175.716 176.300 0.174 0.000 1.257 201 D CA 0.150 54.209 54.000 0.098 0.000 1.027 201 D CB -0.345 40.499 40.800 0.074 0.000 1.084 201 D HN 0.496 nan 8.370 nan 0.000 0.514 202 M N 0.353 120.018 119.600 0.107 0.000 3.419 202 M HA 0.432 4.912 4.480 -0.000 0.000 0.287 202 M C -1.303 175.065 176.300 0.114 0.000 1.333 202 M CA -1.163 54.170 55.300 0.056 0.000 0.843 202 M CB 1.044 33.588 32.600 -0.093 0.000 1.686 202 M HN -0.079 nan 8.290 nan 0.000 0.491 203 W N 1.995 123.354 121.300 0.099 0.000 2.210 203 W HA 0.351 5.011 4.660 -0.000 0.000 0.330 203 W C 0.218 176.726 176.519 -0.019 0.000 1.334 203 W CA -0.082 57.299 57.345 0.061 0.000 1.227 203 W CB 0.355 29.791 29.460 -0.040 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.858 125.494 120.500 0.226 0.000 2.230 204 R HA 0.368 4.708 4.340 -0.000 0.000 0.337 204 R C -0.273 175.983 176.300 -0.073 0.000 1.063 204 R CA -0.181 55.964 56.100 0.075 0.000 0.935 204 R CB -0.046 30.361 30.300 0.178 0.000 1.121 204 R HN 0.540 nan 8.270 nan 0.000 0.486 205 M N 0.428 119.893 119.600 -0.224 0.000 2.777 205 M HA 0.500 4.980 4.480 -0.000 0.000 0.307 205 M C 0.099 176.048 176.300 -0.586 0.000 1.228 205 M CA -0.774 54.284 55.300 -0.404 0.000 0.871 205 M CB 2.406 34.770 32.600 -0.393 0.000 1.721 205 M HN 0.522 nan 8.290 nan 0.000 0.487 206 S N -0.798 114.410 115.700 -0.821 0.000 2.671 206 S HA 1.016 5.486 4.470 -0.000 0.000 0.277 206 S C -0.425 173.637 174.600 -0.898 0.000 1.165 206 S CA -0.247 57.397 58.200 -0.926 0.000 0.822 206 S CB 1.989 64.507 63.200 -1.137 0.000 1.150 206 S HN 1.368 nan 8.310 nan 0.000 0.479 207 G N -0.084 108.451 108.800 -0.443 0.000 2.373 207 G HA2 0.096 4.056 3.960 -0.000 0.000 0.634 207 G HA3 0.096 4.056 3.960 -0.000 0.000 0.634 207 G C -1.215 173.664 174.900 -0.035 0.000 1.267 207 G CA -0.652 44.479 45.100 0.052 0.000 1.008 207 G HN 1.087 nan 8.290 nan 0.000 0.497 208 I N 2.013 122.392 120.570 -0.319 0.000 2.243 208 I HA 0.266 4.436 4.170 -0.000 0.000 0.297 208 I C 1.283 177.239 176.117 -0.269 0.000 1.161 208 I CA -0.080 60.944 61.300 -0.460 0.000 1.298 208 I CB -0.366 37.109 38.000 -0.875 0.000 1.475 208 I HN 0.514 nan 8.210 nan 0.000 0.561 209 F N 4.129 123.912 119.950 -0.279 0.000 2.721 209 F HA 0.439 4.966 4.527 -0.000 0.000 0.301 209 F C 0.808 176.516 175.800 -0.154 0.000 1.096 209 F CA -0.533 57.339 58.000 -0.214 0.000 1.308 209 F CB 0.081 38.955 39.000 -0.209 0.000 1.086 209 F HN 0.127 nan 8.300 nan 0.000 0.587 210 R N 0.492 120.561 120.500 -0.718 0.000 2.960 210 R HA 0.245 4.585 4.340 -0.000 0.000 0.249 210 R C -0.728 175.368 176.300 -0.340 0.000 1.192 210 R CA -1.176 54.629 56.100 -0.492 0.000 1.035 210 R CB 0.545 30.462 30.300 -0.638 0.000 1.234 210 R HN -0.045 nan 8.270 nan 0.000 0.493 211 D N 0.868 121.115 120.400 -0.254 0.000 2.449 211 D HA 0.096 4.736 4.640 -0.000 0.000 0.236 211 D C -0.477 175.683 176.300 -0.233 0.000 1.149 211 D CA 0.443 54.329 54.000 -0.189 0.000 0.878 211 D CB 0.763 41.484 40.800 -0.132 0.000 1.198 211 D HN 0.003 nan 8.370 nan 0.000 0.446 212 V N 1.173 120.961 119.914 -0.210 0.000 2.495 212 V HA 0.582 4.702 4.120 -0.000 0.000 0.298 212 V C 0.108 176.091 176.094 -0.185 0.000 1.031 212 V CA -0.590 61.533 62.300 -0.294 0.000 0.871 212 V CB 1.612 33.271 31.823 -0.273 0.000 0.988 212 V HN 0.749 nan 8.190 nan 0.000 0.432 213 S N 4.468 120.032 115.700 -0.228 0.000 2.607 213 S HA 0.819 5.289 4.470 -0.000 0.000 0.273 213 S C -1.354 173.189 174.600 -0.096 0.000 1.148 213 S CA -0.936 57.195 58.200 -0.115 0.000 0.833 213 S CB 1.767 64.927 63.200 -0.068 0.000 1.130 213 S HN 0.470 nan 8.310 nan 0.000 0.470 214 L N 1.541 122.768 121.223 0.007 0.000 2.322 214 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 214 L C -1.324 175.609 176.870 0.105 0.000 1.014 214 L CA -0.921 53.977 54.840 0.096 0.000 0.815 214 L CB 1.667 43.883 42.059 0.262 0.000 1.247 214 L HN 0.668 nan 8.230 nan 0.000 0.421 215 L N 3.111 124.351 121.223 0.027 0.000 2.319 215 L HA 0.425 4.764 4.340 -0.000 0.000 0.281 215 L C -0.792 175.961 176.870 -0.195 0.000 1.005 215 L CA -0.209 54.597 54.840 -0.056 0.000 0.828 215 L CB 1.202 43.247 42.059 -0.023 0.000 1.227 215 L HN 0.447 nan 8.230 nan 0.000 0.415 216 H N 4.234 122.989 119.070 -0.525 0.000 2.556 216 H HA 0.533 5.089 4.556 -0.000 0.000 0.310 216 H C -0.964 174.095 175.328 -0.448 0.000 1.057 216 H CA -0.181 55.418 56.048 -0.748 0.000 1.264 216 H CB 0.679 29.400 29.762 -1.734 0.000 1.404 216 H HN 0.597 nan 8.280 nan 0.000 0.462 217 K N 5.644 125.643 120.400 -0.669 0.000 2.281 217 K HA 0.380 4.700 4.320 -0.000 0.000 0.242 217 K C -2.640 173.666 176.600 -0.490 0.000 0.971 217 K CA -2.184 53.835 56.287 -0.447 0.000 0.834 217 K CB 1.639 33.955 32.500 -0.308 0.000 1.181 217 K HN 0.460 nan 8.250 nan 0.000 0.435 218 P HA 0.065 nan 4.420 nan 0.000 0.272 218 P C 0.212 177.406 177.300 -0.176 0.000 1.240 218 P CA -0.233 62.751 63.100 -0.193 0.000 0.791 218 P CB 0.503 32.145 31.700 -0.097 0.000 0.978 219 T N -1.239 113.241 114.554 -0.122 0.000 2.788 219 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 219 T C 0.597 175.242 174.700 -0.092 0.000 1.044 219 T CA 1.537 63.578 62.100 -0.097 0.000 1.139 219 T CB -0.633 68.199 68.868 -0.060 0.000 0.867 219 T HN 0.427 nan 8.240 nan 0.000 0.454 220 T N 3.829 118.336 114.554 -0.078 0.000 2.727 220 T HA 0.416 4.766 4.350 -0.000 0.000 0.298 220 T C -0.214 174.431 174.700 -0.091 0.000 0.942 220 T CA -0.533 61.517 62.100 -0.084 0.000 0.997 220 T CB 0.399 69.238 68.868 -0.049 0.000 0.917 220 T HN 0.487 nan 8.240 nan 0.000 0.487 221 Q N 2.444 122.173 119.800 -0.117 0.000 2.462 221 Q HA 0.593 4.933 4.340 -0.000 0.000 0.285 221 Q C -1.261 174.661 176.000 -0.130 0.000 1.035 221 Q CA -1.135 54.587 55.803 -0.136 0.000 0.799 221 Q CB 1.344 29.979 28.738 -0.172 0.000 1.452 221 Q HN 0.471 nan 8.270 nan 0.000 0.404 222 I N 2.614 123.086 120.570 -0.163 0.000 2.436 222 I HA 0.014 4.184 4.170 -0.000 0.000 0.289 222 I C 0.797 176.769 176.117 -0.242 0.000 1.083 222 I CA 0.115 61.323 61.300 -0.153 0.000 1.372 222 I CB 0.974 38.855 38.000 -0.199 0.000 1.408 222 I HN 0.900 nan 8.210 nan 0.000 0.516 223 S N 2.479 118.152 115.700 -0.045 0.000 2.505 223 S HA 0.215 4.685 4.470 -0.000 0.000 0.216 223 S C 0.152 174.939 174.600 0.312 0.000 1.018 223 S CA -0.276 57.970 58.200 0.076 0.000 0.911 223 S CB 0.324 63.542 63.200 0.030 0.000 0.818 223 S HN 0.697 nan 8.310 nan 0.000 0.497 224 D N -0.150 120.428 120.400 0.297 0.000 2.706 224 D HA 0.519 5.159 4.640 -0.000 0.000 0.227 224 D C -1.867 174.576 176.300 0.239 0.000 1.233 224 D CA -0.661 53.508 54.000 0.282 0.000 0.768 224 D CB 1.711 42.564 40.800 0.089 0.000 1.490 224 D HN 0.215 nan 8.370 nan 0.000 0.458 225 F N -0.207 119.768 119.950 0.040 0.000 2.615 225 F HA 0.626 5.153 4.527 -0.000 0.000 0.312 225 F C -1.505 174.292 175.800 -0.004 0.000 1.119 225 F CA -0.796 57.158 58.000 -0.077 0.000 0.979 225 F CB 1.214 40.236 39.000 0.036 0.000 1.266 225 F HN 0.237 nan 8.300 nan 0.000 0.444 226 H N 1.977 121.117 119.070 0.117 0.000 2.529 226 H HA 0.738 5.294 4.556 -0.000 0.000 0.348 226 H C -1.209 174.165 175.328 0.077 0.000 1.079 226 H CA -1.521 54.536 56.048 0.014 0.000 1.198 226 H CB 2.492 32.242 29.762 -0.021 0.000 1.521 226 H HN 0.616 nan 8.280 nan 0.000 0.514 227 V N 2.297 122.309 119.914 0.163 0.000 2.417 227 V HA 0.652 4.772 4.120 -0.000 0.000 0.291 227 V C -0.064 176.023 176.094 -0.012 0.000 1.024 227 V CA -0.563 61.781 62.300 0.072 0.000 0.861 227 V CB 1.161 33.020 31.823 0.060 0.000 0.985 227 V HN 0.942 nan 8.190 nan 0.000 0.436 228 A N 3.348 126.137 122.820 -0.052 0.000 2.380 228 A HA 0.946 5.266 4.320 -0.000 0.000 0.315 228 A C -0.094 177.377 177.584 -0.188 0.000 1.101 228 A CA -0.522 51.460 52.037 -0.091 0.000 0.771 228 A CB 1.954 20.924 19.000 -0.050 0.000 1.287 228 A HN 0.927 nan 8.150 nan 0.000 0.436 229 T N -0.069 114.353 114.554 -0.221 0.000 2.906 229 T HA 0.657 5.007 4.350 -0.000 0.000 0.302 229 T C -0.471 174.002 174.700 -0.378 0.000 1.002 229 T CA -0.680 61.184 62.100 -0.393 0.000 0.988 229 T CB 0.721 69.240 68.868 -0.582 0.000 0.972 229 T HN 0.692 nan 8.240 nan 0.000 0.447 230 R N 2.136 122.380 120.500 -0.427 0.000 2.720 230 R HA 0.797 5.137 4.340 -0.000 0.000 0.272 230 R C -1.069 174.891 176.300 -0.567 0.000 0.991 230 R CA -0.780 55.139 56.100 -0.301 0.000 1.010 230 R CB 1.331 31.555 30.300 -0.128 0.000 1.141 230 R HN 0.540 nan 8.270 nan 0.000 0.494 231 F N 0.159 120.098 119.950 -0.019 0.000 2.603 231 F HA 0.288 4.815 4.527 -0.000 0.000 0.317 231 F C 0.537 176.219 175.800 -0.196 0.000 1.066 231 F CA -1.160 56.780 58.000 -0.099 0.000 0.941 231 F CB 1.049 39.926 39.000 -0.206 0.000 1.291 231 F HN 0.546 nan 8.300 nan 0.000 0.472 232 N N 0.061 118.761 118.700 -0.001 0.000 2.374 232 N HA 0.051 4.791 4.740 -0.000 0.000 0.284 232 N C 0.546 175.927 175.510 -0.215 0.000 1.280 232 N CA -0.049 52.956 53.050 -0.076 0.000 0.963 232 N CB -0.008 38.463 38.487 -0.027 0.000 1.141 232 N HN 0.666 nan 8.380 nan 0.000 0.565 233 D N -1.289 119.029 120.400 -0.136 0.000 2.144 233 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 233 D C 0.473 176.698 176.300 -0.125 0.000 0.984 233 D CA 1.583 55.502 54.000 -0.134 0.000 0.834 233 D CB -0.556 40.219 40.800 -0.041 0.000 0.955 233 D HN 0.745 nan 8.370 nan 0.000 0.465 234 D N -1.501 118.877 120.400 -0.037 0.000 2.440 234 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 234 D C 0.131 176.615 176.300 0.306 0.000 1.150 234 D CA -0.809 53.278 54.000 0.145 0.000 0.832 234 D CB -0.848 40.025 40.800 0.122 0.000 0.992 234 D HN 0.194 nan 8.370 nan 0.000 0.502 235 F N 0.463 120.465 119.950 0.087 0.000 2.988 235 F HA -0.276 4.251 4.527 -0.000 0.000 0.287 235 F C 1.598 177.482 175.800 0.140 0.000 0.781 235 F CA 0.762 58.831 58.000 0.114 0.000 1.221 235 F CB -2.506 36.459 39.000 -0.059 0.000 1.392 235 F HN 0.184 nan 8.300 nan 0.000 0.425 236 S N -1.217 114.608 115.700 0.208 0.000 2.528 236 S HA 0.257 4.727 4.470 -0.000 0.000 0.219 236 S C 0.664 175.330 174.600 0.109 0.000 0.985 236 S CA 0.018 58.303 58.200 0.142 0.000 0.914 236 S CB 0.396 63.653 63.200 0.095 0.000 0.776 236 S HN 0.440 nan 8.310 nan 0.000 0.526 237 R N 0.371 120.944 120.500 0.122 0.000 2.621 237 R HA 0.769 5.109 4.340 -0.000 0.000 0.284 237 R C -1.327 175.026 176.300 0.088 0.000 0.998 237 R CA -0.275 55.865 56.100 0.068 0.000 0.895 237 R CB 2.250 32.565 30.300 0.025 0.000 1.195 237 R HN 0.277 nan 8.270 nan 0.000 0.450 238 A N 2.044 124.866 122.820 0.003 0.000 2.413 238 A HA 0.744 5.064 4.320 -0.000 0.000 0.307 238 A C -1.120 176.402 177.584 -0.104 0.000 1.087 238 A CA -0.662 51.300 52.037 -0.125 0.000 0.750 238 A CB 1.942 20.865 19.000 -0.128 0.000 1.296 238 A HN 0.369 nan 8.150 nan 0.000 0.423 239 V N 1.991 121.812 119.914 -0.156 0.000 2.407 239 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 239 V C -0.371 175.657 176.094 -0.109 0.000 1.018 239 V CA -0.310 61.932 62.300 -0.096 0.000 0.842 239 V CB 1.280 33.050 31.823 -0.089 0.000 0.996 239 V HN 0.800 nan 8.190 nan 0.000 0.426 240 L N 4.598 125.795 121.223 -0.044 0.000 2.278 240 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 240 L C 0.236 177.061 176.870 -0.074 0.000 1.072 240 L CA 0.158 54.941 54.840 -0.096 0.000 0.819 240 L CB 0.758 42.788 42.059 -0.048 0.000 1.176 240 L HN 0.788 nan 8.230 nan 0.000 0.435 241 E N 4.665 124.816 120.200 -0.081 0.000 2.145 241 E HA 0.601 4.951 4.350 -0.000 0.000 0.270 241 E C -1.296 175.292 176.600 -0.019 0.000 0.906 241 E CA -0.743 55.629 56.400 -0.046 0.000 0.761 241 E CB 1.491 31.165 29.700 -0.044 0.000 1.116 241 E HN 0.716 nan 8.360 nan 0.000 0.408 242 A N 4.847 127.663 122.820 -0.006 0.000 2.291 242 A HA 0.276 4.596 4.320 -0.000 0.000 0.311 242 A C -0.566 177.028 177.584 0.017 0.000 1.224 242 A CA -0.658 51.397 52.037 0.030 0.000 0.821 242 A CB 1.011 20.030 19.000 0.033 0.000 1.172 242 A HN 0.740 nan 8.150 nan 0.000 0.494 243 E N 2.553 122.769 120.200 0.026 0.000 2.200 243 E HA 0.498 4.848 4.350 -0.000 0.000 0.283 243 E C -1.275 175.298 176.600 -0.045 0.000 1.015 243 E CA -0.265 56.119 56.400 -0.028 0.000 0.819 243 E CB 1.005 30.679 29.700 -0.044 0.000 1.081 243 E HN 0.391 nan 8.360 nan 0.000 0.397 244 V N 5.072 124.978 119.914 -0.014 0.000 2.487 244 V HA 0.264 4.384 4.120 -0.000 0.000 0.298 244 V C -0.391 175.768 176.094 0.109 0.000 1.028 244 V CA -0.799 61.533 62.300 0.054 0.000 0.860 244 V CB 1.654 33.496 31.823 0.032 0.000 0.991 244 V HN 0.719 nan 8.190 nan 0.000 0.427 245 Q N 4.222 124.079 119.800 0.094 0.000 2.306 245 Q HA 0.822 5.162 4.340 -0.000 0.000 0.265 245 Q C -0.710 175.341 176.000 0.084 0.000 1.022 245 Q CA -0.855 54.998 55.803 0.082 0.000 0.853 245 Q CB 2.599 31.324 28.738 -0.022 0.000 1.327 245 Q HN 0.816 nan 8.270 nan 0.000 0.449 246 M N -0.807 118.772 119.600 -0.035 0.000 2.662 246 M HA 0.740 5.220 4.480 -0.000 0.000 0.310 246 M C -1.379 174.818 176.300 -0.173 0.000 1.204 246 M CA -0.451 54.745 55.300 -0.173 0.000 0.891 246 M CB 1.617 33.902 32.600 -0.525 0.000 1.732 246 M HN 0.529 nan 8.290 nan 0.000 0.467 247 C N 0.843 120.052 119.300 -0.153 0.000 2.667 247 C HA 1.039 5.499 4.460 -0.000 0.000 0.323 247 C C 0.658 175.562 174.990 -0.144 0.000 1.214 247 C CA 0.574 59.517 59.018 -0.126 0.000 1.721 247 C CB 1.136 28.828 27.740 -0.079 0.000 2.275 247 C HN 1.425 nan 8.230 nan 0.000 0.491 248 G N 1.380 110.108 108.800 -0.119 0.000 2.466 248 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.316 248 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.316 248 G C -1.010 173.816 174.900 -0.123 0.000 1.270 248 G CA -0.483 44.551 45.100 -0.110 0.000 0.982 248 G HN 0.929 nan 8.290 nan 0.000 0.506 249 E N -0.111 120.025 120.200 -0.107 0.000 2.223 249 E HA 0.450 4.800 4.350 -0.000 0.000 0.282 249 E C 0.449 176.951 176.600 -0.163 0.000 1.046 249 E CA -0.508 55.827 56.400 -0.109 0.000 0.857 249 E CB 0.326 29.983 29.700 -0.071 0.000 1.055 249 E HN 0.453 nan 8.360 nan 0.000 0.409 250 L N 5.422 126.539 121.223 -0.177 0.000 2.410 250 L HA 0.240 4.580 4.340 -0.000 0.000 0.273 250 L C 0.315 177.049 176.870 -0.226 0.000 1.152 250 L CA -0.013 54.696 54.840 -0.219 0.000 0.855 250 L CB 0.263 42.216 42.059 -0.177 0.000 1.129 250 L HN 0.424 nan 8.230 nan 0.000 0.463 251 R N 1.815 122.118 120.500 -0.329 0.000 2.744 251 R HA 0.227 4.567 4.340 -0.000 0.000 0.279 251 R C -0.116 175.918 176.300 -0.444 0.000 0.977 251 R CA -0.877 54.926 56.100 -0.494 0.000 0.906 251 R CB 1.347 31.018 30.300 -1.047 0.000 1.197 251 R HN 0.471 nan 8.270 nan 0.000 0.463 252 D N 0.980 121.200 120.400 -0.301 0.000 2.221 252 D HA -0.154 4.486 4.640 -0.000 0.000 0.204 252 D C 1.527 177.780 176.300 -0.078 0.000 0.982 252 D CA 1.603 55.526 54.000 -0.128 0.000 0.857 252 D CB 0.036 40.812 40.800 -0.039 0.000 0.934 252 D HN 0.598 nan 8.370 nan 0.000 0.475 253 Y N -0.326 119.983 120.300 0.015 0.000 2.544 253 Y HA 0.255 4.805 4.550 -0.000 0.000 0.286 253 Y C 0.729 176.626 175.900 -0.005 0.000 1.141 253 Y CA -0.454 57.649 58.100 0.005 0.000 1.299 253 Y CB -0.904 37.560 38.460 0.007 0.000 1.030 253 Y HN -0.192 nan 8.280 nan 0.000 0.543 254 L N 3.096 124.299 121.223 -0.032 0.000 2.453 254 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 254 L C 0.168 177.047 176.870 0.014 0.000 1.182 254 L CA 0.130 55.017 54.840 0.078 0.000 0.858 254 L CB 0.381 42.498 42.059 0.098 0.000 1.120 254 L HN 0.192 nan 8.230 nan 0.000 0.474 255 R N 2.346 122.742 120.500 -0.174 0.000 2.808 255 R HA 0.690 5.030 4.340 -0.000 0.000 0.272 255 R C -1.354 174.648 176.300 -0.497 0.000 0.995 255 R CA -0.845 54.999 56.100 -0.427 0.000 0.917 255 R CB 2.191 32.111 30.300 -0.633 0.000 1.217 255 R HN 0.261 nan 8.270 nan 0.000 0.471 256 V N 0.924 120.574 119.914 -0.439 0.000 2.540 256 V HA 0.487 4.607 4.120 -0.000 0.000 0.302 256 V C -0.213 175.870 176.094 -0.019 0.000 1.035 256 V CA -0.618 61.548 62.300 -0.223 0.000 0.873 256 V CB 2.162 33.785 31.823 -0.332 0.000 0.992 256 V HN 0.706 nan 8.190 nan 0.000 0.428 257 T N 3.895 118.546 114.554 0.162 0.000 2.792 257 T HA 0.540 4.890 4.350 -0.000 0.000 0.280 257 T C -0.461 174.249 174.700 0.018 0.000 0.990 257 T CA -0.353 61.810 62.100 0.104 0.000 0.960 257 T CB 1.554 70.481 68.868 0.098 0.000 0.939 257 T HN 0.349 nan 8.240 nan 0.000 0.439 258 V N 3.642 123.548 119.914 -0.014 0.000 2.347 258 V HA 0.485 4.605 4.120 -0.000 0.000 0.280 258 V C 0.051 176.140 176.094 -0.008 0.000 1.021 258 V CA -0.542 61.745 62.300 -0.021 0.000 0.847 258 V CB 1.468 33.269 31.823 -0.037 0.000 0.990 258 V HN 0.941 nan 8.190 nan 0.000 0.444 259 S N 5.228 120.949 115.700 0.036 0.000 2.472 259 S HA 0.726 5.196 4.470 -0.000 0.000 0.303 259 S C -0.735 173.898 174.600 0.054 0.000 1.099 259 S CA -0.477 57.728 58.200 0.009 0.000 1.077 259 S CB 1.754 65.029 63.200 0.125 0.000 1.031 259 S HN 0.535 nan 8.310 nan 0.000 0.487 260 L N 3.190 124.348 121.223 -0.109 0.000 2.313 260 L HA 0.689 5.029 4.340 -0.000 0.000 0.283 260 L C -1.942 174.873 176.870 -0.091 0.000 1.013 260 L CA -0.202 54.655 54.840 0.028 0.000 0.816 260 L CB 0.632 42.706 42.059 0.026 0.000 1.236 260 L HN 0.717 nan 8.230 nan 0.000 0.419 261 W N 3.874 125.273 121.300 0.166 0.000 2.656 261 W HA 0.525 5.185 4.660 -0.000 0.000 0.327 261 W C -0.404 176.220 176.519 0.176 0.000 1.041 261 W CA -0.460 56.965 57.345 0.134 0.000 1.229 261 W CB 1.365 30.854 29.460 0.047 0.000 1.397 261 W HN 0.389 nan 8.180 nan 0.000 0.479 262 Q N 2.932 122.907 119.800 0.292 0.000 2.509 262 Q HA 0.451 4.791 4.340 -0.000 0.000 0.236 262 Q C 0.907 176.964 176.000 0.095 0.000 1.073 262 Q CA 0.654 56.487 55.803 0.050 0.000 0.867 262 Q CB 0.395 29.088 28.738 -0.075 0.000 1.181 262 Q HN 0.802 nan 8.270 nan 0.000 0.526 263 G N 3.235 112.089 108.800 0.090 0.000 2.591 263 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.298 263 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.298 263 G C 0.338 175.331 174.900 0.155 0.000 1.195 263 G CA 0.463 45.608 45.100 0.075 0.000 0.989 263 G HN 0.711 nan 8.290 nan 0.000 0.551 264 E N 0.828 121.113 120.200 0.141 0.000 2.465 264 E HA 0.239 4.589 4.350 -0.000 0.000 0.191 264 E C 0.225 177.071 176.600 0.409 0.000 1.053 264 E CA 0.450 56.971 56.400 0.203 0.000 0.869 264 E CB 0.260 30.011 29.700 0.084 0.000 0.977 264 E HN 0.289 nan 8.360 nan 0.000 0.483 265 T N 1.376 116.132 114.554 0.338 0.000 2.743 265 T HA 0.105 4.455 4.350 -0.000 0.000 0.292 265 T C -0.330 174.382 174.700 0.020 0.000 0.972 265 T CA -0.396 61.808 62.100 0.173 0.000 0.967 265 T CB 1.292 70.203 68.868 0.071 0.000 0.926 265 T HN 0.041 nan 8.240 nan 0.000 0.459 266 Q N 3.235 122.772 119.800 -0.439 0.000 2.307 266 Q HA 0.240 4.580 4.340 -0.000 0.000 0.259 266 Q C 1.092 176.832 176.000 -0.434 0.000 0.998 266 Q CA -0.430 54.786 55.803 -0.980 0.000 0.923 266 Q CB 0.638 28.530 28.738 -1.410 0.000 1.196 266 Q HN 0.713 nan 8.270 nan 0.000 0.416 267 V N 1.152 120.888 119.914 -0.297 0.000 2.992 267 V HA 0.526 4.646 4.120 -0.000 0.000 0.250 267 V C 0.392 176.390 176.094 -0.159 0.000 1.090 267 V CA 0.780 62.998 62.300 -0.138 0.000 1.101 267 V CB 0.005 31.833 31.823 0.008 0.000 0.743 267 V HN 0.628 nan 8.190 nan 0.000 0.468 268 A N -0.940 121.756 122.820 -0.207 0.000 2.612 268 A HA 0.826 5.146 4.320 -0.000 0.000 0.293 268 A C -0.680 176.796 177.584 -0.180 0.000 1.075 268 A CA 0.195 52.135 52.037 -0.161 0.000 0.680 268 A CB 1.702 20.635 19.000 -0.113 0.000 1.279 268 A HN 0.547 nan 8.150 nan 0.000 0.411 269 S N -1.092 114.531 115.700 -0.130 0.000 2.547 269 S HA 0.791 5.261 4.470 -0.000 0.000 0.270 269 S C -0.649 173.910 174.600 -0.069 0.000 1.150 269 S CA 0.189 58.325 58.200 -0.106 0.000 0.850 269 S CB 1.734 64.860 63.200 -0.123 0.000 1.118 269 S HN 2.283 nan 8.310 nan 0.000 0.461 270 G N 1.577 110.347 108.800 -0.051 0.000 2.731 270 G HA2 0.625 4.585 3.960 -0.000 0.000 0.298 270 G HA3 0.625 4.585 3.960 -0.000 0.000 0.298 270 G C -1.433 173.451 174.900 -0.028 0.000 1.424 270 G CA -0.387 44.688 45.100 -0.041 0.000 1.029 270 G HN 0.681 nan 8.290 nan 0.000 0.518 271 T N 0.064 114.605 114.554 -0.022 0.000 2.886 271 T HA 0.841 5.191 4.350 -0.000 0.000 0.292 271 T C -0.300 174.371 174.700 -0.049 0.000 1.012 271 T CA -0.107 61.989 62.100 -0.006 0.000 0.982 271 T CB 1.793 70.691 68.868 0.051 0.000 1.018 271 T HN 1.498 nan 8.240 nan 0.000 0.451 272 A N 3.828 126.586 122.820 -0.103 0.000 2.604 272 A HA 0.917 5.237 4.320 -0.000 0.000 0.295 272 A C -3.050 174.406 177.584 -0.214 0.000 1.067 272 A CA -1.628 50.330 52.037 -0.132 0.000 0.683 272 A CB 1.315 20.237 19.000 -0.129 0.000 1.281 272 A HN 0.533 nan 8.150 nan 0.000 0.407 273 P HA 0.471 nan 4.420 nan 0.000 0.277 273 P C -0.537 176.637 177.300 -0.209 0.000 1.271 273 P CA -0.195 62.811 63.100 -0.156 0.000 0.795 273 P CB 0.340 32.010 31.700 -0.049 0.000 1.101 274 F N -0.457 119.455 119.950 -0.063 0.000 2.450 274 F HA 0.462 4.989 4.527 -0.000 0.000 0.339 274 F C 1.484 177.267 175.800 -0.028 0.000 1.146 274 F CA 1.454 59.427 58.000 -0.046 0.000 1.267 274 F CB 0.202 39.169 39.000 -0.056 0.000 1.178 274 F HN 0.587 nan 8.300 nan 0.000 0.585 275 G N 1.596 110.521 108.800 0.208 0.000 2.881 275 G HA2 0.307 4.267 3.960 -0.000 0.000 0.597 275 G HA3 0.307 4.267 3.960 -0.000 0.000 0.597 275 G C -0.344 174.609 174.900 0.088 0.000 1.188 275 G CA -0.771 44.403 45.100 0.122 0.000 1.218 275 G HN 1.055 nan 8.290 nan 0.000 0.544 276 G N 0.719 109.592 108.800 0.121 0.000 2.651 276 G HA2 0.643 4.602 3.960 -0.000 0.000 0.260 276 G HA3 0.643 4.602 3.960 -0.000 0.000 0.260 276 G C 0.558 175.501 174.900 0.072 0.000 1.216 276 G CA 0.068 45.228 45.100 0.100 0.000 0.913 276 G HN 1.229 nan 8.290 nan 0.000 0.535 277 E N -0.852 119.382 120.200 0.058 0.000 2.438 277 E HA 0.082 4.432 4.350 -0.000 0.000 0.261 277 E C -0.183 176.443 176.600 0.042 0.000 1.103 277 E CA -0.371 56.053 56.400 0.039 0.000 0.959 277 E CB 0.731 30.449 29.700 0.031 0.000 0.958 277 E HN 0.296 nan 8.360 nan 0.000 0.447 278 I N 2.575 123.158 120.570 0.021 0.000 2.683 278 I HA -0.092 4.078 4.170 -0.000 0.000 0.286 278 I C 1.106 177.231 176.117 0.014 0.000 1.175 278 I CA 0.443 61.748 61.300 0.008 0.000 1.429 278 I CB 0.191 38.190 38.000 -0.001 0.000 1.371 278 I HN 0.625 nan 8.210 nan 0.000 0.569 279 I N 1.370 121.943 120.570 0.005 0.000 4.244 279 I HA 0.316 4.486 4.170 -0.000 0.000 0.318 279 I C -0.055 176.060 176.117 -0.003 0.000 1.282 279 I CA -0.045 61.265 61.300 0.017 0.000 1.276 279 I CB 0.378 38.412 38.000 0.056 0.000 1.183 279 I HN 0.582 nan 8.210 nan 0.000 0.431 280 D N -0.197 120.188 120.400 -0.026 0.000 2.895 280 D HA 0.220 4.860 4.640 -0.000 0.000 0.320 280 D C 0.363 176.645 176.300 -0.030 0.000 1.249 280 D CA -0.517 53.468 54.000 -0.025 0.000 0.997 280 D CB 0.545 41.328 40.800 -0.029 0.000 1.430 280 D HN -0.130 nan 8.370 nan 0.000 0.558 281 E N -1.081 119.103 120.200 -0.027 0.000 2.204 281 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 281 E C 1.301 177.880 176.600 -0.034 0.000 0.990 281 E CA 0.893 57.278 56.400 -0.025 0.000 0.821 281 E CB 0.009 29.697 29.700 -0.020 0.000 0.750 281 E HN 0.195 nan 8.360 nan 0.000 0.477 282 R N -0.147 120.324 120.500 -0.048 0.000 2.334 282 R HA 0.259 4.599 4.340 -0.000 0.000 0.220 282 R C 0.809 177.065 176.300 -0.073 0.000 0.917 282 R CA 0.680 56.745 56.100 -0.060 0.000 1.073 282 R CB 0.327 30.584 30.300 -0.071 0.000 1.056 282 R HN 0.226 nan 8.270 nan 0.000 0.506 283 G N -0.483 108.277 108.800 -0.066 0.000 2.516 283 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 283 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 283 G C -0.053 174.797 174.900 -0.083 0.000 1.165 283 G CA -0.561 44.502 45.100 -0.062 0.000 1.013 283 G HN 0.526 nan 8.290 nan 0.000 0.590 284 G N -2.002 106.746 108.800 -0.086 0.000 3.105 284 G HA2 0.639 4.599 3.960 -0.000 0.000 0.277 284 G HA3 0.639 4.599 3.960 -0.000 0.000 0.277 284 G C -1.478 173.336 174.900 -0.144 0.000 1.375 284 G CA -0.676 44.376 45.100 -0.081 0.000 0.962 284 G HN 0.780 nan 8.290 nan 0.000 0.541 285 Y N 1.127 121.439 120.300 0.020 0.000 2.504 285 Y HA 0.397 4.947 4.550 -0.000 0.000 0.351 285 Y C 1.511 177.433 175.900 0.037 0.000 0.988 285 Y CA 0.193 58.308 58.100 0.025 0.000 1.239 285 Y CB 1.599 40.080 38.460 0.034 0.000 1.128 285 Y HN 0.546 nan 8.280 nan 0.000 0.525 286 A N 1.862 124.755 122.820 0.123 0.000 2.066 286 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 286 A C 1.440 179.080 177.584 0.093 0.000 1.157 286 A CA 1.441 53.530 52.037 0.087 0.000 0.670 286 A CB -0.265 18.747 19.000 0.019 0.000 0.804 286 A HN 0.796 nan 8.150 nan 0.000 0.453 287 D N -0.959 119.498 120.400 0.094 0.000 2.358 287 D HA 0.131 4.770 4.640 -0.000 0.000 0.224 287 D C 0.471 176.833 176.300 0.103 0.000 1.123 287 D CA -0.034 53.940 54.000 -0.045 0.000 0.833 287 D CB -0.034 40.726 40.800 -0.066 0.000 0.946 287 D HN 0.375 nan 8.370 nan 0.000 0.505 288 R N -0.696 119.991 120.500 0.311 0.000 2.808 288 R HA 0.734 5.074 4.340 -0.000 0.000 0.272 288 R C -1.637 174.830 176.300 0.278 0.000 0.995 288 R CA -1.107 55.176 56.100 0.305 0.000 0.917 288 R CB 3.143 33.496 30.300 0.088 0.000 1.217 288 R HN -0.022 nan 8.270 nan 0.000 0.471 289 V N 0.614 120.584 119.914 0.092 0.000 2.969 289 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 289 V C -1.406 174.647 176.094 -0.068 0.000 1.192 289 V CA -0.308 61.953 62.300 -0.064 0.000 0.962 289 V CB 2.751 34.389 31.823 -0.309 0.000 1.045 289 V HN 0.806 nan 8.190 nan 0.000 0.428 290 T N 7.343 121.866 114.554 -0.052 0.000 2.770 290 T HA 0.655 5.005 4.350 -0.000 0.000 0.283 290 T C -0.604 174.063 174.700 -0.054 0.000 0.988 290 T CA -0.180 61.895 62.100 -0.041 0.000 0.957 290 T CB 1.012 69.870 68.868 -0.017 0.000 0.930 290 T HN 0.509 nan 8.240 nan 0.000 0.443 291 L N 3.678 124.868 121.223 -0.054 0.000 2.317 291 L HA 0.617 4.957 4.340 -0.000 0.000 0.281 291 L C 0.409 177.254 176.870 -0.042 0.000 1.024 291 L CA -0.760 54.048 54.840 -0.054 0.000 0.810 291 L CB 1.364 43.386 42.059 -0.062 0.000 1.240 291 L HN 0.370 nan 8.230 nan 0.000 0.427 292 R N 4.246 124.721 120.500 -0.042 0.000 2.439 292 R HA 0.641 4.981 4.340 -0.000 0.000 0.310 292 R C -1.437 174.838 176.300 -0.042 0.000 0.955 292 R CA -0.595 55.480 56.100 -0.041 0.000 0.853 292 R CB 1.575 31.852 30.300 -0.039 0.000 1.171 292 R HN 0.481 nan 8.270 nan 0.000 0.449 293 L N 2.808 124.007 121.223 -0.041 0.000 2.313 293 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 293 L C -0.236 176.609 176.870 -0.042 0.000 1.013 293 L CA -1.158 53.656 54.840 -0.043 0.000 0.816 293 L CB 1.497 43.532 42.059 -0.040 0.000 1.236 293 L HN 0.449 nan 8.230 nan 0.000 0.419 294 N N 2.488 121.157 118.700 -0.050 0.000 2.488 294 N HA 0.315 5.055 4.740 -0.000 0.000 0.274 294 N C -0.718 174.747 175.510 -0.074 0.000 1.111 294 N CA -0.136 52.881 53.050 -0.055 0.000 0.974 294 N CB 2.429 40.887 38.487 -0.049 0.000 1.089 294 N HN 0.245 nan 8.380 nan 0.000 0.465 295 V N 2.531 122.388 119.914 -0.095 0.000 2.443 295 V HA 0.176 4.296 4.120 -0.000 0.000 0.293 295 V C -0.103 175.913 176.094 -0.129 0.000 1.021 295 V CA -0.875 61.325 62.300 -0.165 0.000 0.848 295 V CB 1.791 33.396 31.823 -0.363 0.000 0.998 295 V HN 0.449 nan 8.190 nan 0.000 0.424 296 E N 3.044 123.190 120.200 -0.090 0.000 2.259 296 E HA 0.266 4.616 4.350 -0.000 0.000 0.281 296 E C 0.232 176.812 176.600 -0.034 0.000 1.027 296 E CA -0.385 55.989 56.400 -0.044 0.000 0.838 296 E CB 0.458 30.141 29.700 -0.028 0.000 1.066 296 E HN 0.732 nan 8.360 nan 0.000 0.401 297 N N 1.601 120.306 118.700 0.008 0.000 2.686 297 N HA -0.151 4.589 4.740 -0.000 0.000 0.261 297 N C -2.433 173.088 175.510 0.019 0.000 1.001 297 N CA 0.086 53.157 53.050 0.036 0.000 0.764 297 N CB -0.888 37.620 38.487 0.035 0.000 0.898 297 N HN 0.332 nan 8.380 nan 0.000 0.544 298 P HA 0.007 nan 4.420 nan 0.000 0.269 298 P C -0.401 176.943 177.300 0.074 0.000 1.209 298 P CA 0.265 63.293 63.100 -0.120 0.000 0.776 298 P CB 0.756 32.180 31.700 -0.460 0.000 0.876 299 K N 2.503 123.019 120.400 0.194 0.000 2.349 299 K HA 0.251 4.571 4.320 -0.000 0.000 0.289 299 K C 0.178 176.934 176.600 0.260 0.000 1.064 299 K CA -0.280 56.108 56.287 0.169 0.000 0.947 299 K CB 0.120 32.665 32.500 0.075 0.000 1.007 299 K HN 0.432 nan 8.250 nan 0.000 0.478 300 L N 2.863 124.166 121.223 0.133 0.000 2.350 300 L HA 0.282 4.622 4.340 -0.000 0.000 0.275 300 L C -0.019 176.911 176.870 0.100 0.000 1.099 300 L CA -0.830 54.083 54.840 0.122 0.000 0.808 300 L CB 0.459 42.429 42.059 -0.148 0.000 1.149 300 L HN 0.600 nan 8.230 nan 0.000 0.442 301 W N 3.751 125.073 121.300 0.035 0.000 2.315 301 W HA 0.454 5.114 4.660 -0.000 0.000 0.316 301 W C 0.076 176.541 176.519 -0.090 0.000 1.211 301 W CA 0.131 57.484 57.345 0.013 0.000 1.201 301 W CB 1.219 30.743 29.460 0.106 0.000 1.184 301 W HN 0.616 nan 8.180 nan 0.000 0.544 302 S N 3.169 118.325 115.700 -0.906 0.000 2.625 302 S HA 0.650 5.120 4.470 -0.000 0.000 0.271 302 S C 0.226 174.027 174.600 -1.331 0.000 1.161 302 S CA -0.387 57.297 58.200 -0.861 0.000 0.820 302 S CB 1.176 64.133 63.200 -0.404 0.000 1.137 302 S HN 0.971 nan 8.310 nan 0.000 0.470 303 A N 0.675 122.875 122.820 -1.034 0.000 1.972 303 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 303 A C 1.805 179.070 177.584 -0.531 0.000 1.169 303 A CA 1.693 53.175 52.037 -0.924 0.000 0.635 303 A CB -1.067 17.264 19.000 -1.115 0.000 0.810 303 A HN 0.894 nan 8.150 nan 0.000 0.446 304 E N -0.742 119.271 120.200 -0.311 0.000 2.047 304 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 304 E C -0.181 176.278 176.600 -0.235 0.000 0.987 304 E CA 0.815 57.090 56.400 -0.208 0.000 0.799 304 E CB -0.070 29.629 29.700 -0.000 0.000 0.752 304 E HN 0.633 nan 8.360 nan 0.000 0.449 305 I N 1.699 122.109 120.570 -0.266 0.000 2.542 305 I HA 0.166 4.336 4.170 -0.000 0.000 0.278 305 I C -2.473 173.424 176.117 -0.367 0.000 1.069 305 I CA -2.039 59.122 61.300 -0.232 0.000 1.100 305 I CB 2.162 40.078 38.000 -0.141 0.000 1.204 305 I HN -0.201 nan 8.210 nan 0.000 0.470 306 P HA 0.088 nan 4.420 nan 0.000 0.226 306 P C -0.635 176.645 177.300 -0.032 0.000 1.783 306 P CA -0.310 62.508 63.100 -0.469 0.000 0.980 306 P CB -0.267 31.304 31.700 -0.216 0.000 1.967 307 N N 1.841 120.537 118.700 -0.007 0.000 2.411 307 N HA 0.076 4.816 4.740 -0.000 0.000 0.261 307 N C 0.052 175.765 175.510 0.338 0.000 1.248 307 N CA 0.595 53.715 53.050 0.118 0.000 0.885 307 N CB 0.597 39.137 38.487 0.090 0.000 1.062 307 N HN 0.328 nan 8.380 nan 0.000 0.471 308 L N 2.628 123.977 121.223 0.209 0.000 2.401 308 L HA 0.455 4.795 4.340 -0.000 0.000 0.266 308 L C -0.675 176.275 176.870 0.133 0.000 0.991 308 L CA -0.889 54.117 54.840 0.277 0.000 0.818 308 L CB 1.238 43.438 42.059 0.235 0.000 1.321 308 L HN 0.374 nan 8.230 nan 0.000 0.413 309 Y N 0.506 120.952 120.300 0.244 0.000 2.596 309 Y HA 0.643 5.193 4.550 -0.000 0.000 0.326 309 Y C -0.006 176.008 175.900 0.190 0.000 1.167 309 Y CA -0.790 57.447 58.100 0.229 0.000 1.246 309 Y CB 1.270 39.916 38.460 0.310 0.000 1.347 309 Y HN 0.387 nan 8.280 nan 0.000 0.515 310 R N 0.955 121.681 120.500 0.376 0.000 2.437 310 R HA 0.775 5.115 4.340 -0.000 0.000 0.310 310 R C -1.568 174.911 176.300 0.300 0.000 0.955 310 R CA -0.527 55.727 56.100 0.257 0.000 0.851 310 R CB 0.983 31.371 30.300 0.147 0.000 1.161 310 R HN 0.749 nan 8.270 nan 0.000 0.446 311 A N 4.086 127.028 122.820 0.203 0.000 2.276 311 A HA 0.576 4.896 4.320 -0.000 0.000 0.316 311 A C -0.964 176.671 177.584 0.085 0.000 1.229 311 A CA -0.641 51.492 52.037 0.161 0.000 0.851 311 A CB 1.115 20.180 19.000 0.108 0.000 1.165 311 A HN 0.497 nan 8.150 nan 0.000 0.513 312 V N 3.547 123.523 119.914 0.103 0.000 2.398 312 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 312 V C -0.280 175.785 176.094 -0.048 0.000 1.026 312 V CA -0.478 61.823 62.300 0.002 0.000 0.868 312 V CB 1.547 33.385 31.823 0.026 0.000 0.982 312 V HN 0.601 nan 8.190 nan 0.000 0.443 313 V N 4.781 124.601 119.914 -0.157 0.000 2.313 313 V HA 0.398 4.518 4.120 -0.000 0.000 0.278 313 V C -0.015 176.016 176.094 -0.104 0.000 1.017 313 V CA -0.571 61.610 62.300 -0.199 0.000 0.823 313 V CB 1.114 32.650 31.823 -0.478 0.000 1.010 313 V HN 0.913 nan 8.190 nan 0.000 0.443 314 E N 3.821 124.011 120.200 -0.016 0.000 2.133 314 E HA 0.432 4.781 4.350 -0.000 0.000 0.274 314 E C -0.892 175.799 176.600 0.153 0.000 0.930 314 E CA -0.843 55.594 56.400 0.062 0.000 0.770 314 E CB 2.292 32.022 29.700 0.050 0.000 1.104 314 E HN 0.485 nan 8.360 nan 0.000 0.403 315 L N 5.199 126.490 121.223 0.114 0.000 2.260 315 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 315 L C -0.719 176.267 176.870 0.193 0.000 1.057 315 L CA 0.322 55.241 54.840 0.131 0.000 0.811 315 L CB -0.309 41.805 42.059 0.092 0.000 1.184 315 L HN 0.649 nan 8.230 nan 0.000 0.429 316 H N 0.524 119.638 119.070 0.074 0.000 3.015 316 H HA 0.844 5.400 4.556 -0.000 0.000 0.282 316 H C -0.784 174.617 175.328 0.120 0.000 1.508 316 H CA -0.476 55.617 56.048 0.075 0.000 1.209 316 H CB 0.968 30.754 29.762 0.040 0.000 1.869 316 H HN 0.456 nan 8.280 nan 0.000 0.591 317 T N -2.432 112.219 114.554 0.161 0.000 2.952 317 T HA 0.587 4.937 4.350 -0.000 0.000 0.286 317 T C 1.272 176.057 174.700 0.142 0.000 1.024 317 T CA -0.436 61.745 62.100 0.135 0.000 1.029 317 T CB 1.649 70.573 68.868 0.092 0.000 1.094 317 T HN 0.939 nan 8.240 nan 0.000 0.515 318 A N 1.270 124.155 122.820 0.107 0.000 1.978 318 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 318 A C 1.786 179.432 177.584 0.103 0.000 1.170 318 A CA 1.756 53.852 52.037 0.098 0.000 0.636 318 A CB -0.907 18.142 19.000 0.081 0.000 0.810 318 A HN 0.965 nan 8.150 nan 0.000 0.448 319 D N -2.166 118.279 120.400 0.075 0.000 2.328 319 D HA 0.286 4.926 4.640 -0.000 0.000 0.226 319 D C 1.020 177.351 176.300 0.052 0.000 1.066 319 D CA 0.795 54.822 54.000 0.045 0.000 0.861 319 D CB -0.533 40.272 40.800 0.008 0.000 0.912 319 D HN 0.830 nan 8.370 nan 0.000 0.521 320 G N -0.281 108.581 108.800 0.104 0.000 2.134 320 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.209 320 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.209 320 G C 0.051 174.989 174.900 0.062 0.000 0.993 320 G CA -0.004 45.144 45.100 0.081 0.000 0.669 320 G HN 0.364 nan 8.290 nan 0.000 0.519 321 T N 1.292 115.898 114.554 0.086 0.000 2.744 321 T HA 0.533 4.883 4.350 -0.000 0.000 0.291 321 T C 0.270 175.034 174.700 0.107 0.000 0.957 321 T CA -0.313 61.823 62.100 0.061 0.000 1.002 321 T CB 1.862 70.742 68.868 0.019 0.000 0.919 321 T HN 0.565 nan 8.240 nan 0.000 0.468 322 L N 4.711 125.979 121.223 0.076 0.000 2.367 322 L HA 0.385 4.725 4.340 -0.000 0.000 0.275 322 L C 0.588 177.509 176.870 0.085 0.000 1.129 322 L CA 0.413 55.308 54.840 0.092 0.000 0.839 322 L CB 0.190 42.278 42.059 0.049 0.000 1.133 322 L HN 0.698 nan 8.230 nan 0.000 0.453 323 I N 2.537 123.167 120.570 0.099 0.000 2.947 323 I HA 0.187 4.357 4.170 -0.000 0.000 0.263 323 I C 0.179 176.322 176.117 0.043 0.000 1.130 323 I CA 0.385 61.726 61.300 0.069 0.000 1.448 323 I CB 0.199 38.245 38.000 0.077 0.000 1.222 323 I HN 0.814 nan 8.210 nan 0.000 0.453 324 E N 0.144 120.370 120.200 0.044 0.000 2.409 324 E HA 0.714 5.064 4.350 -0.000 0.000 0.280 324 E C -1.533 175.090 176.600 0.039 0.000 1.079 324 E CA -1.118 55.300 56.400 0.029 0.000 0.840 324 E CB 1.623 31.305 29.700 -0.030 0.000 1.309 324 E HN -0.032 nan 8.360 nan 0.000 0.447 325 A N 1.312 124.178 122.820 0.078 0.000 2.393 325 A HA 0.696 5.016 4.320 -0.000 0.000 0.306 325 A C -0.945 176.744 177.584 0.176 0.000 1.050 325 A CA -0.728 51.363 52.037 0.089 0.000 0.724 325 A CB 1.562 20.614 19.000 0.088 0.000 1.248 325 A HN 0.511 nan 8.150 nan 0.000 0.424 326 E N -0.195 120.040 120.200 0.057 0.000 2.339 326 E HA 0.845 5.195 4.350 -0.000 0.000 0.262 326 E C -0.502 176.135 176.600 0.062 0.000 0.934 326 E CA -0.572 55.921 56.400 0.155 0.000 0.802 326 E CB 2.382 32.052 29.700 -0.049 0.000 1.275 326 E HN 1.119 nan 8.360 nan 0.000 0.427 327 A N -0.090 122.886 122.820 0.261 0.000 2.601 327 A HA 0.718 5.038 4.320 -0.000 0.000 0.291 327 A C -1.093 176.690 177.584 0.333 0.000 1.075 327 A CA -0.454 51.667 52.037 0.139 0.000 0.671 327 A CB 0.828 19.808 19.000 -0.032 0.000 1.277 327 A HN 0.839 nan 8.150 nan 0.000 0.417 328 C N -0.444 118.999 119.300 0.238 0.000 3.288 328 C HA 0.806 5.265 4.460 -0.000 0.000 0.318 328 C C -1.385 173.695 174.990 0.150 0.000 1.356 328 C CA -0.942 58.217 59.018 0.235 0.000 1.359 328 C CB 1.162 29.072 27.740 0.282 0.000 1.688 328 C HN 0.809 nan 8.230 nan 0.000 0.467 329 D N 1.320 121.790 120.400 0.117 0.000 2.350 329 D HA 0.492 5.132 4.640 -0.000 0.000 0.249 329 D C -0.312 176.035 176.300 0.077 0.000 1.119 329 D CA 0.209 54.277 54.000 0.114 0.000 0.886 329 D CB 1.748 42.617 40.800 0.115 0.000 1.195 329 D HN 0.541 nan 8.370 nan 0.000 0.437 330 V N 1.490 121.481 119.914 0.130 0.000 2.448 330 V HA 0.603 4.723 4.120 -0.000 0.000 0.295 330 V C 0.650 176.831 176.094 0.146 0.000 1.025 330 V CA -0.861 61.477 62.300 0.065 0.000 0.859 330 V CB 1.923 33.771 31.823 0.042 0.000 0.988 330 V HN 0.602 nan 8.190 nan 0.000 0.431 331 G N 3.380 112.166 108.800 -0.023 0.000 2.437 331 G HA2 0.578 4.538 3.960 -0.000 0.000 0.315 331 G HA3 0.578 4.538 3.960 -0.000 0.000 0.315 331 G C -0.828 174.166 174.900 0.156 0.000 1.210 331 G CA -0.397 44.762 45.100 0.099 0.000 0.943 331 G HN 0.463 nan 8.290 nan 0.000 0.471 332 F N 2.641 122.793 119.950 0.336 0.000 2.490 332 F HA 0.375 4.902 4.527 -0.000 0.000 0.357 332 F C 1.168 177.234 175.800 0.444 0.000 1.166 332 F CA -0.044 58.216 58.000 0.433 0.000 1.116 332 F CB 0.491 39.755 39.000 0.440 0.000 1.171 332 F HN 0.539 nan 8.300 nan 0.000 0.576 333 R N 1.304 122.109 120.500 0.509 0.000 2.604 333 R HA 0.490 4.830 4.340 -0.000 0.000 0.270 333 R C -1.556 174.926 176.300 0.304 0.000 1.052 333 R CA -1.022 55.235 56.100 0.261 0.000 0.902 333 R CB 1.518 31.999 30.300 0.302 0.000 1.233 333 R HN 0.415 nan 8.270 nan 0.000 0.455 334 E N 2.403 122.686 120.200 0.137 0.000 2.151 334 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 334 E C -1.175 175.512 176.600 0.146 0.000 0.936 334 E CA -1.025 55.525 56.400 0.250 0.000 0.777 334 E CB 1.864 31.784 29.700 0.366 0.000 1.108 334 E HN 0.460 nan 8.360 nan 0.000 0.401 335 V N 5.831 125.821 119.914 0.128 0.000 2.409 335 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 335 V C -0.196 175.945 176.094 0.079 0.000 1.020 335 V CA -0.648 61.697 62.300 0.075 0.000 0.848 335 V CB 1.047 32.892 31.823 0.037 0.000 0.990 335 V HN 0.716 nan 8.190 nan 0.000 0.430 336 R N 4.265 124.809 120.500 0.072 0.000 2.707 336 R HA 0.759 5.099 4.340 -0.000 0.000 0.272 336 R C -1.852 174.478 176.300 0.050 0.000 1.011 336 R CA -0.953 55.189 56.100 0.069 0.000 0.893 336 R CB 2.052 32.404 30.300 0.088 0.000 1.233 336 R HN 0.496 nan 8.270 nan 0.000 0.464 337 I N 1.545 122.143 120.570 0.048 0.000 2.321 337 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 337 I C -0.407 175.734 176.117 0.040 0.000 0.998 337 I CA -0.347 60.976 61.300 0.037 0.000 1.227 337 I CB 1.628 39.651 38.000 0.038 0.000 1.368 337 I HN 0.673 nan 8.210 nan 0.000 0.466 338 E N 6.586 126.807 120.200 0.034 0.000 2.246 338 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 338 E C -0.326 176.288 176.600 0.024 0.000 0.880 338 E CA -0.585 55.836 56.400 0.034 0.000 0.762 338 E CB 1.110 30.836 29.700 0.042 0.000 1.180 338 E HN 0.578 nan 8.360 nan 0.000 0.416 339 N N 3.148 121.862 118.700 0.023 0.000 2.725 339 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 339 N C 0.486 176.003 175.510 0.012 0.000 1.103 339 N CA 1.993 55.053 53.050 0.017 0.000 0.707 339 N CB -1.219 37.277 38.487 0.015 0.000 1.043 339 N HN 0.987 nan 8.380 nan 0.000 0.553 340 G N -2.187 106.620 108.800 0.013 0.000 2.159 340 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.256 340 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.256 340 G C -0.076 174.821 174.900 -0.005 0.000 0.977 340 G CA 0.498 45.601 45.100 0.006 0.000 0.652 340 G HN 0.451 nan 8.290 nan 0.000 0.531 341 L N 0.126 121.347 121.223 -0.004 0.000 2.329 341 L HA 0.667 5.007 4.340 -0.000 0.000 0.279 341 L C 0.300 177.161 176.870 -0.014 0.000 1.014 341 L CA -1.303 53.527 54.840 -0.017 0.000 0.814 341 L CB 1.792 43.841 42.059 -0.016 0.000 1.257 341 L HN 0.105 nan 8.230 nan 0.000 0.424 342 L N 4.780 125.983 121.223 -0.033 0.000 2.369 342 L HA 0.351 4.691 4.340 -0.000 0.000 0.279 342 L C -0.741 176.108 176.870 -0.034 0.000 1.108 342 L CA 0.504 55.325 54.840 -0.032 0.000 0.852 342 L CB 0.160 42.187 42.059 -0.055 0.000 1.169 342 L HN 0.393 nan 8.230 nan 0.000 0.452 343 L N 6.074 127.295 121.223 -0.003 0.000 2.329 343 L HA 0.515 4.855 4.340 -0.000 0.000 0.279 343 L C -0.725 176.159 176.870 0.023 0.000 1.014 343 L CA -0.770 54.079 54.840 0.015 0.000 0.814 343 L CB 1.824 43.914 42.059 0.053 0.000 1.257 343 L HN 0.533 nan 8.230 nan 0.000 0.424 344 L N 4.155 125.399 121.223 0.035 0.000 2.325 344 L HA 0.478 4.818 4.340 -0.000 0.000 0.281 344 L C -0.093 176.812 176.870 0.060 0.000 1.004 344 L CA -0.042 54.833 54.840 0.058 0.000 0.823 344 L CB 0.890 42.987 42.059 0.064 0.000 1.236 344 L HN 0.585 nan 8.230 nan 0.000 0.415 345 N N 4.262 122.872 118.700 -0.151 0.000 2.716 345 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 345 N C 0.922 176.126 175.510 -0.508 0.000 1.033 345 N CA 1.311 53.941 53.050 -0.701 0.000 0.727 345 N CB -1.235 36.728 38.487 -0.873 0.000 0.950 345 N HN 1.173 nan 8.380 nan 0.000 0.541 346 G N -2.053 106.749 108.800 0.004 0.000 2.179 346 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 346 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 346 G C -0.098 174.853 174.900 0.084 0.000 0.977 346 G CA 0.835 46.034 45.100 0.164 0.000 0.641 346 G HN 0.403 nan 8.290 nan 0.000 0.533 347 K N 0.902 121.337 120.400 0.057 0.000 2.270 347 K HA 0.521 4.841 4.320 -0.000 0.000 0.255 347 K C -2.780 173.797 176.600 -0.038 0.000 0.936 347 K CA -2.266 54.011 56.287 -0.016 0.000 0.809 347 K CB 2.556 34.975 32.500 -0.134 0.000 1.131 347 K HN 0.071 nan 8.250 nan 0.000 0.427 348 P HA 0.162 nan 4.420 nan 0.000 0.276 348 P C -0.070 177.168 177.300 -0.102 0.000 1.253 348 P CA -0.215 62.843 63.100 -0.071 0.000 0.766 348 P CB 0.503 32.164 31.700 -0.066 0.000 0.845 349 L N 3.546 124.704 121.223 -0.109 0.000 2.439 349 L HA 0.193 4.533 4.340 -0.000 0.000 0.269 349 L C 0.744 177.530 176.870 -0.139 0.000 1.179 349 L CA -0.448 54.313 54.840 -0.132 0.000 0.828 349 L CB 0.245 42.184 42.059 -0.200 0.000 1.106 349 L HN 0.285 nan 8.230 nan 0.000 0.467 350 L N 4.536 125.694 121.223 -0.109 0.000 2.353 350 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 350 L C -0.427 176.387 176.870 -0.093 0.000 1.003 350 L CA -0.233 54.525 54.840 -0.136 0.000 0.862 350 L CB 0.867 42.880 42.059 -0.076 0.000 1.221 350 L HN 0.257 nan 8.230 nan 0.000 0.430 351 I N 5.011 125.447 120.570 -0.224 0.000 2.421 351 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 351 I C 0.571 176.633 176.117 -0.091 0.000 1.089 351 I CA 0.220 61.398 61.300 -0.202 0.000 1.354 351 I CB 0.262 38.004 38.000 -0.431 0.000 1.413 351 I HN 0.557 nan 8.210 nan 0.000 0.513 352 R N 4.743 125.303 120.500 0.100 0.000 3.070 352 R HA 0.438 4.778 4.340 -0.000 0.000 0.252 352 R C 0.533 177.000 176.300 0.279 0.000 1.370 352 R CA -0.251 55.975 56.100 0.209 0.000 1.482 352 R CB 0.767 31.034 30.300 -0.055 0.000 1.220 352 R HN 0.768 nan 8.270 nan 0.000 0.622 353 G N 0.062 108.997 108.800 0.225 0.000 2.509 353 G HA2 0.592 4.552 3.960 -0.000 0.000 0.328 353 G HA3 0.592 4.552 3.960 -0.000 0.000 0.328 353 G C -1.330 173.917 174.900 0.579 0.000 1.194 353 G CA -0.475 44.778 45.100 0.256 0.000 0.967 353 G HN 0.230 nan 8.290 nan 0.000 0.488 354 V N 0.195 120.404 119.914 0.491 0.000 2.971 354 V HA 0.453 4.573 4.120 -0.000 0.000 0.309 354 V C -0.999 175.216 176.094 0.200 0.000 1.130 354 V CA -1.234 61.226 62.300 0.266 0.000 0.964 354 V CB 2.190 33.894 31.823 -0.200 0.000 1.029 354 V HN 0.776 nan 8.190 nan 0.000 0.427 355 N N 4.398 123.151 118.700 0.088 0.000 2.520 355 N HA 0.353 5.093 4.740 -0.000 0.000 0.273 355 N C -0.651 174.672 175.510 -0.313 0.000 1.155 355 N CA -0.190 52.769 53.050 -0.150 0.000 0.967 355 N CB 1.201 39.584 38.487 -0.173 0.000 1.092 355 N HN 0.565 nan 8.380 nan 0.000 0.457 356 R N 2.348 122.625 120.500 -0.373 0.000 2.468 356 R HA 0.171 4.511 4.340 -0.000 0.000 0.302 356 R C -0.774 175.270 176.300 -0.428 0.000 1.041 356 R CA -0.554 55.337 56.100 -0.348 0.000 0.899 356 R CB 0.548 30.622 30.300 -0.377 0.000 1.167 356 R HN 0.599 nan 8.270 nan 0.000 0.483 357 H N 2.073 120.953 119.070 -0.317 0.000 2.679 357 H HA 0.073 4.629 4.556 -0.000 0.000 0.369 357 H C -0.368 174.932 175.328 -0.048 0.000 1.178 357 H CA 0.393 56.343 56.048 -0.163 0.000 1.419 357 H CB 1.148 30.868 29.762 -0.071 0.000 1.458 357 H HN 0.538 nan 8.280 nan 0.000 0.605 358 E N 1.969 122.342 120.200 0.289 0.000 2.052 358 E HA 0.115 4.465 4.350 -0.000 0.000 0.283 358 E C -0.601 176.134 176.600 0.226 0.000 1.071 358 E CA 0.050 56.552 56.400 0.171 0.000 0.851 358 E CB 0.360 30.169 29.700 0.181 0.000 1.066 358 E HN 0.403 nan 8.360 nan 0.000 0.396 359 H N 1.774 120.886 119.070 0.070 0.000 2.954 359 H HA 0.264 4.820 4.556 -0.000 0.000 0.361 359 H C -1.735 173.643 175.328 0.083 0.000 1.122 359 H CA -0.628 55.456 56.048 0.061 0.000 1.217 359 H CB 1.148 30.936 29.762 0.044 0.000 1.776 359 H HN 0.434 nan 8.280 nan 0.000 0.533 360 H N 5.915 124.570 119.070 -0.691 0.000 2.759 360 H HA 0.207 4.763 4.556 -0.000 0.000 0.354 360 H C -2.315 172.611 175.328 -0.671 0.000 1.074 360 H CA -2.277 53.486 56.048 -0.475 0.000 1.226 360 H CB 2.852 32.516 29.762 -0.164 0.000 1.648 360 H HN 0.531 nan 8.280 nan 0.000 0.529 361 P HA -0.135 nan 4.420 nan 0.000 0.220 361 P C 1.167 178.323 177.300 -0.240 0.000 1.148 361 P CA 0.647 63.547 63.100 -0.334 0.000 0.803 361 P CB 0.824 32.365 31.700 -0.265 0.000 0.782 362 L N -1.537 119.632 121.223 -0.090 0.000 2.467 362 L HA 0.193 4.532 4.340 -0.000 0.000 0.213 362 L C 2.035 178.742 176.870 -0.272 0.000 1.053 362 L CA 1.370 56.088 54.840 -0.204 0.000 0.847 362 L CB -0.821 41.051 42.059 -0.313 0.000 1.075 362 L HN -0.103 nan 8.230 nan 0.000 0.479 363 H N -0.434 118.641 119.070 0.008 0.000 2.551 363 H HA 0.444 5.000 4.556 -0.000 0.000 0.271 363 H C 1.436 176.649 175.328 -0.191 0.000 0.984 363 H CA 0.411 56.352 56.048 -0.178 0.000 1.164 363 H CB 0.144 29.688 29.762 -0.363 0.000 1.437 363 H HN 0.409 nan 8.280 nan 0.000 0.550 364 G N 1.561 110.266 108.800 -0.158 0.000 2.595 364 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.297 364 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.297 364 G C 0.726 175.527 174.900 -0.165 0.000 1.181 364 G CA 0.460 45.413 45.100 -0.245 0.000 0.963 364 G HN 0.451 nan 8.290 nan 0.000 0.541 365 Q N -0.061 119.665 119.800 -0.123 0.000 2.179 365 Q HA 0.476 4.816 4.340 -0.000 0.000 0.213 365 Q C 0.151 176.210 176.000 0.098 0.000 0.833 365 Q CA -0.141 55.628 55.803 -0.056 0.000 0.990 365 Q CB 1.531 30.129 28.738 -0.233 0.000 1.132 365 Q HN 0.387 nan 8.270 nan 0.000 0.493 366 V N 2.165 122.118 119.914 0.063 0.000 2.455 366 V HA 0.164 4.284 4.120 -0.000 0.000 0.273 366 V C 0.177 176.273 176.094 0.003 0.000 1.045 366 V CA 0.175 62.513 62.300 0.063 0.000 0.976 366 V CB 0.726 32.527 31.823 -0.036 0.000 0.993 366 V HN 0.325 nan 8.190 nan 0.000 0.475 367 M N 5.488 125.094 119.600 0.010 0.000 2.423 367 M HA 0.506 4.986 4.480 -0.000 0.000 0.335 367 M C -0.295 175.896 176.300 -0.181 0.000 1.177 367 M CA -0.408 54.848 55.300 -0.073 0.000 1.038 367 M CB 1.776 34.323 32.600 -0.087 0.000 1.641 367 M HN 0.861 nan 8.290 nan 0.000 0.455 368 D N 0.240 120.548 120.400 -0.153 0.000 2.523 368 D HA 0.234 4.873 4.640 -0.000 0.000 0.236 368 D C 0.093 176.342 176.300 -0.085 0.000 1.094 368 D CA -0.452 53.462 54.000 -0.143 0.000 0.942 368 D CB 1.947 42.676 40.800 -0.118 0.000 1.447 368 D HN 0.698 nan 8.370 nan 0.000 0.479 369 E N 0.095 120.264 120.200 -0.051 0.000 2.058 369 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 369 E C 1.936 178.565 176.600 0.049 0.000 0.997 369 E CA 1.458 57.866 56.400 0.013 0.000 0.801 369 E CB 0.106 29.831 29.700 0.041 0.000 0.746 369 E HN 0.560 nan 8.360 nan 0.000 0.450 370 Q N -0.244 119.585 119.800 0.048 0.000 2.077 370 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 370 Q C 1.971 178.026 176.000 0.090 0.000 0.989 370 Q CA 2.441 58.286 55.803 0.070 0.000 0.853 370 Q CB -0.145 28.636 28.738 0.071 0.000 0.907 370 Q HN 0.291 nan 8.270 nan 0.000 0.418 371 T N 1.076 115.692 114.554 0.103 0.000 2.821 371 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 371 T C 1.883 176.663 174.700 0.133 0.000 1.046 371 T CA 1.519 63.704 62.100 0.141 0.000 1.139 371 T CB -0.139 68.848 68.868 0.199 0.000 0.871 371 T HN 0.311 nan 8.240 nan 0.000 0.454 372 M N 0.663 120.339 119.600 0.126 0.000 2.086 372 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 372 M C 2.500 178.906 176.300 0.176 0.000 1.067 372 M CA 1.291 56.734 55.300 0.239 0.000 1.116 372 M CB -0.692 32.084 32.600 0.293 0.000 1.348 372 M HN 0.093 nan 8.290 nan 0.000 0.407 373 V N 0.401 120.355 119.914 0.066 0.000 2.343 373 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 373 V C 2.358 178.423 176.094 -0.048 0.000 1.051 373 V CA 2.132 64.396 62.300 -0.059 0.000 1.036 373 V CB -0.932 30.894 31.823 0.006 0.000 0.654 373 V HN 0.563 nan 8.190 nan 0.000 0.451 374 Q N -0.304 119.526 119.800 0.050 0.000 2.096 374 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 374 Q C 1.984 178.060 176.000 0.128 0.000 0.982 374 Q CA 2.187 58.044 55.803 0.091 0.000 0.850 374 Q CB -0.143 28.668 28.738 0.122 0.000 0.901 374 Q HN 0.629 nan 8.270 nan 0.000 0.422 375 D N 0.306 120.795 120.400 0.148 0.000 2.084 375 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 375 D C 1.928 178.178 176.300 -0.083 0.000 0.990 375 D CA 1.211 55.292 54.000 0.136 0.000 0.826 375 D CB -0.233 40.630 40.800 0.105 0.000 0.971 375 D HN 0.347 nan 8.370 nan 0.000 0.453 376 I N 0.651 121.163 120.570 -0.096 0.000 2.208 376 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 376 I C 2.451 178.448 176.117 -0.201 0.000 1.097 376 I CA 0.656 61.803 61.300 -0.255 0.000 1.363 376 I CB -0.143 37.576 38.000 -0.469 0.000 1.051 376 I HN 0.002 nan 8.210 nan 0.000 0.413 377 L N 0.002 121.144 121.223 -0.134 0.000 2.017 377 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 377 L C 2.562 179.513 176.870 0.135 0.000 1.073 377 L CA 1.514 56.367 54.840 0.021 0.000 0.745 377 L CB -0.582 41.505 42.059 0.047 0.000 0.894 377 L HN 0.279 nan 8.230 nan 0.000 0.432 378 L N -1.128 120.195 121.223 0.168 0.000 2.046 378 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 378 L C 2.667 179.726 176.870 0.315 0.000 1.077 378 L CA 1.258 56.285 54.840 0.310 0.000 0.747 378 L CB -0.279 42.072 42.059 0.487 0.000 0.896 378 L HN 0.277 nan 8.230 nan 0.000 0.432 379 M N -0.621 118.990 119.600 0.019 0.000 2.067 379 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 379 M C 2.314 178.732 176.300 0.197 0.000 1.069 379 M CA 1.910 57.160 55.300 -0.083 0.000 1.117 379 M CB -0.316 31.989 32.600 -0.491 0.000 1.334 379 M HN 0.060 nan 8.290 nan 0.000 0.407 380 K N -0.111 120.305 120.400 0.026 0.000 2.057 380 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 380 K C 1.984 178.594 176.600 0.017 0.000 1.049 380 K CA 1.369 57.579 56.287 -0.129 0.000 0.931 380 K CB -0.233 32.029 32.500 -0.397 0.000 0.714 380 K HN 0.429 nan 8.250 nan 0.000 0.440 381 Q N 0.390 120.362 119.800 0.288 0.000 2.226 381 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 381 Q C 0.851 177.164 176.000 0.522 0.000 0.975 381 Q CA 0.849 56.940 55.803 0.479 0.000 0.866 381 Q CB 0.116 29.111 28.738 0.429 0.000 0.915 381 Q HN 0.260 nan 8.270 nan 0.000 0.440 382 N N 0.506 119.460 118.700 0.424 0.000 2.279 382 N HA 0.050 4.790 4.740 -0.000 0.000 0.226 382 N C -0.666 174.942 175.510 0.163 0.000 1.126 382 N CA 0.050 53.328 53.050 0.379 0.000 0.846 382 N CB 0.702 39.490 38.487 0.502 0.000 1.050 382 N HN 0.161 nan 8.380 nan 0.000 0.502 383 N N 0.134 118.942 118.700 0.180 0.000 2.776 383 N HA -0.183 4.557 4.740 -0.000 0.000 0.250 383 N C -0.893 174.536 175.510 -0.136 0.000 1.112 383 N CA 0.732 53.834 53.050 0.085 0.000 0.733 383 N CB -1.815 36.622 38.487 -0.082 0.000 1.097 383 N HN 0.250 nan 8.380 nan 0.000 0.558 384 F N 1.104 121.089 119.950 0.057 0.000 2.384 384 F HA 0.289 4.816 4.527 -0.000 0.000 0.338 384 F C 1.798 177.610 175.800 0.020 0.000 1.103 384 F CA -0.532 57.489 58.000 0.035 0.000 1.157 384 F CB 0.773 39.771 39.000 -0.004 0.000 1.167 384 F HN 0.058 nan 8.300 nan 0.000 0.529 385 N N 0.716 119.556 118.700 0.233 0.000 2.143 385 N HA 0.414 5.154 4.740 -0.000 0.000 0.222 385 N C -0.850 174.734 175.510 0.124 0.000 1.264 385 N CA -0.023 53.091 53.050 0.107 0.000 0.897 385 N CB 0.749 39.344 38.487 0.179 0.000 1.092 385 N HN 0.467 nan 8.380 nan 0.000 0.516 386 A N -0.417 122.551 122.820 0.248 0.000 2.574 386 A HA 0.741 5.061 4.320 -0.000 0.000 0.297 386 A C -1.773 176.053 177.584 0.403 0.000 1.062 386 A CA -0.733 51.518 52.037 0.356 0.000 0.686 386 A CB 1.946 21.190 19.000 0.406 0.000 1.285 386 A HN 0.184 nan 8.150 nan 0.000 0.403 387 V N 1.725 121.894 119.914 0.425 0.000 2.760 387 V HA 0.732 4.852 4.120 -0.000 0.000 0.309 387 V C -0.465 175.710 176.094 0.136 0.000 1.077 387 V CA -0.688 61.792 62.300 0.299 0.000 0.910 387 V CB 1.779 33.734 31.823 0.221 0.000 1.008 387 V HN 1.067 nan 8.190 nan 0.000 0.424 388 R N 5.128 125.542 120.500 -0.144 0.000 2.265 388 R HA 0.452 4.792 4.340 -0.000 0.000 0.319 388 R C -0.636 175.502 176.300 -0.270 0.000 1.006 388 R CA -0.448 55.409 56.100 -0.405 0.000 0.880 388 R CB 0.917 30.762 30.300 -0.759 0.000 1.077 388 R HN 0.803 nan 8.270 nan 0.000 0.454 389 C N 4.569 123.745 119.300 -0.206 0.000 2.896 389 C HA 0.124 4.584 4.460 -0.000 0.000 0.499 389 C C 0.503 175.219 174.990 -0.455 0.000 1.022 389 C CA -0.471 58.382 59.018 -0.275 0.000 1.127 389 C CB -1.993 25.700 27.740 -0.079 0.000 1.452 389 C HN 0.732 nan 8.230 nan 0.000 0.580 390 S N 1.517 116.812 115.700 -0.675 0.000 2.455 390 S HA 0.212 4.682 4.470 -0.000 0.000 0.278 390 S C -0.123 173.528 174.600 -1.583 0.000 1.216 390 S CA 0.036 57.584 58.200 -1.087 0.000 1.055 390 S CB 0.160 62.648 63.200 -1.187 0.000 0.939 390 S HN 0.727 nan 8.310 nan 0.000 0.494 391 H N 3.806 122.244 119.070 -1.052 0.000 2.439 391 H HA 0.319 4.875 4.556 -0.000 0.000 0.230 391 H C -1.203 174.033 175.328 -0.154 0.000 1.420 391 H CA -0.350 55.479 56.048 -0.365 0.000 1.305 391 H CB -0.184 29.560 29.762 -0.030 0.000 1.667 391 H HN 0.883 nan 8.280 nan 0.000 0.515 392 Y N -2.864 117.529 120.300 0.154 0.000 2.687 392 Y HA 0.395 4.945 4.550 -0.000 0.000 0.338 392 Y C -3.334 172.664 175.900 0.163 0.000 1.189 392 Y CA -3.234 54.965 58.100 0.166 0.000 1.097 392 Y CB 0.065 38.628 38.460 0.172 0.000 1.342 392 Y HN -0.088 nan 8.280 nan 0.000 0.461 393 P HA 0.131 nan 4.420 nan 0.000 0.265 393 P C -0.669 176.901 177.300 0.450 0.000 1.193 393 P CA 0.335 63.676 63.100 0.401 0.000 0.765 393 P CB 0.595 32.463 31.700 0.280 0.000 0.823 394 N N 0.814 119.794 118.700 0.467 0.000 2.413 394 N HA 0.087 4.826 4.740 -0.000 0.000 0.266 394 N C 0.040 175.766 175.510 0.361 0.000 1.238 394 N CA -0.353 52.882 53.050 0.307 0.000 0.972 394 N CB -0.017 38.446 38.487 -0.040 0.000 1.210 394 N HN 0.476 nan 8.380 nan 0.000 0.547 395 H N 2.191 121.353 119.070 0.154 0.000 3.140 395 H HA -0.047 4.509 4.556 -0.000 0.000 0.316 395 H C -1.441 174.037 175.328 0.250 0.000 0.986 395 H CA -0.560 55.567 56.048 0.132 0.000 1.397 395 H CB 0.749 30.556 29.762 0.075 0.000 1.377 395 H HN 0.417 nan 8.280 nan 0.000 0.585 396 P HA -0.218 nan 4.420 nan 0.000 0.216 396 P C 1.828 179.393 177.300 0.442 0.000 1.150 396 P CA 0.811 64.098 63.100 0.311 0.000 0.843 396 P CB 0.218 31.965 31.700 0.078 0.000 0.787 397 L N -1.132 120.425 121.223 0.556 0.000 2.201 397 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 397 L C 2.451 179.487 176.870 0.277 0.000 1.105 397 L CA 1.361 56.432 54.840 0.386 0.000 0.775 397 L CB -1.274 40.978 42.059 0.323 0.000 0.913 397 L HN 0.009 nan 8.230 nan 0.000 0.440 398 W N -0.383 120.946 121.300 0.048 0.000 2.318 398 W HA -0.340 4.320 4.660 -0.000 0.000 0.313 398 W C 2.071 178.447 176.519 -0.237 0.000 1.221 398 W CA 2.051 59.290 57.345 -0.178 0.000 1.266 398 W CB -0.409 28.832 29.460 -0.365 0.000 1.150 398 W HN 0.270 nan 8.180 nan 0.000 0.496 399 Y N 0.712 120.936 120.300 -0.126 0.000 2.242 399 Y HA -0.198 4.351 4.550 -0.000 0.000 0.291 399 Y C 2.837 178.550 175.900 -0.311 0.000 1.137 399 Y CA 2.049 59.892 58.100 -0.428 0.000 1.181 399 Y CB -1.264 36.647 38.460 -0.917 0.000 0.989 399 Y HN -0.213 nan 8.280 nan 0.000 0.527 400 T N 0.669 115.253 114.554 0.050 0.000 2.708 400 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 400 T C 1.954 176.710 174.700 0.094 0.000 1.037 400 T CA 1.490 63.696 62.100 0.176 0.000 1.146 400 T CB -0.534 68.475 68.868 0.234 0.000 0.865 400 T HN 0.243 nan 8.240 nan 0.000 0.435 401 L N 0.189 121.419 121.223 0.012 0.000 2.109 401 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 401 L C 2.839 179.696 176.870 -0.022 0.000 1.086 401 L CA 0.700 55.568 54.840 0.047 0.000 0.760 401 L CB -0.617 41.430 42.059 -0.020 0.000 0.910 401 L HN 0.364 nan 8.230 nan 0.000 0.437 402 C N -0.185 118.939 119.300 -0.293 0.000 2.440 402 C HA -0.133 4.327 4.460 -0.000 0.000 0.278 402 C C 2.421 177.463 174.990 0.085 0.000 1.295 402 C CA 0.383 59.256 59.018 -0.242 0.000 1.738 402 C CB -0.720 26.750 27.740 -0.449 0.000 1.987 402 C HN 0.535 nan 8.230 nan 0.000 0.492 403 D N 0.475 120.935 120.400 0.100 0.000 2.116 403 D HA -0.125 4.515 4.640 -0.000 0.000 0.193 403 D C 2.395 178.910 176.300 0.359 0.000 0.998 403 D CA 1.359 55.483 54.000 0.207 0.000 0.836 403 D CB -0.314 40.570 40.800 0.141 0.000 0.951 403 D HN 0.530 nan 8.370 nan 0.000 0.449 404 R N -1.271 119.343 120.500 0.191 0.000 2.112 404 R HA 0.046 4.386 4.340 -0.000 0.000 0.216 404 R C 2.215 178.495 176.300 -0.033 0.000 1.080 404 R CA 0.403 56.549 56.100 0.077 0.000 0.996 404 R CB -0.133 30.152 30.300 -0.026 0.000 0.902 404 R HN 0.264 nan 8.270 nan 0.000 0.449 405 Y N 0.027 120.341 120.300 0.024 0.000 2.365 405 Y HA 0.149 4.699 4.550 -0.000 0.000 0.293 405 Y C 1.037 176.873 175.900 -0.106 0.000 1.119 405 Y CA 0.936 59.020 58.100 -0.025 0.000 1.203 405 Y CB 0.527 38.947 38.460 -0.066 0.000 1.026 405 Y HN 0.239 nan 8.280 nan 0.000 0.549 406 G N 1.062 109.899 108.800 0.062 0.000 2.858 406 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.272 406 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.272 406 G C -1.168 173.586 174.900 -0.244 0.000 1.003 406 G CA -0.565 44.440 45.100 -0.158 0.000 1.241 406 G HN 0.164 nan 8.290 nan 0.000 0.569 407 L N 1.080 122.236 121.223 -0.111 0.000 2.431 407 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 407 L C 0.053 176.935 176.870 0.020 0.000 0.978 407 L CA -1.348 53.388 54.840 -0.173 0.000 0.822 407 L CB 1.955 43.925 42.059 -0.147 0.000 1.310 407 L HN 0.449 nan 8.230 nan 0.000 0.409 408 Y N 1.846 122.283 120.300 0.228 0.000 2.377 408 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 408 Y C 0.214 176.240 175.900 0.211 0.000 1.108 408 Y CA -0.669 57.592 58.100 0.268 0.000 1.308 408 Y CB 1.053 39.654 38.460 0.236 0.000 1.216 408 Y HN 0.152 nan 8.280 nan 0.000 0.518 409 V N 4.531 124.631 119.914 0.310 0.000 2.495 409 V HA 0.264 4.384 4.120 -0.000 0.000 0.298 409 V C -0.476 175.694 176.094 0.125 0.000 1.031 409 V CA -1.036 61.383 62.300 0.197 0.000 0.871 409 V CB 1.784 33.695 31.823 0.146 0.000 0.988 409 V HN 0.479 nan 8.190 nan 0.000 0.432 410 V N 3.576 123.531 119.914 0.067 0.000 2.368 410 V HA 0.268 4.388 4.120 -0.000 0.000 0.266 410 V C -0.082 176.036 176.094 0.040 0.000 1.045 410 V CA -0.281 62.011 62.300 -0.013 0.000 0.899 410 V CB 1.268 32.985 31.823 -0.176 0.000 1.006 410 V HN 0.862 nan 8.190 nan 0.000 0.470 411 D N 4.369 124.822 120.400 0.088 0.000 2.295 411 D HA 0.282 4.922 4.640 -0.000 0.000 0.248 411 D C -0.175 176.297 176.300 0.287 0.000 1.154 411 D CA -0.052 54.092 54.000 0.239 0.000 0.857 411 D CB 1.169 42.123 40.800 0.257 0.000 1.117 411 D HN 0.701 nan 8.370 nan 0.000 0.468 412 E N 2.024 122.369 120.200 0.241 0.000 2.199 412 E HA 0.603 4.953 4.350 -0.000 0.000 0.265 412 E C -1.047 175.690 176.600 0.229 0.000 0.882 412 E CA -1.055 55.474 56.400 0.214 0.000 0.759 412 E CB 1.303 31.080 29.700 0.129 0.000 1.148 412 E HN 0.455 nan 8.360 nan 0.000 0.412 413 A N 3.980 126.932 122.820 0.220 0.000 2.483 413 A HA 0.046 4.366 4.320 -0.000 0.000 0.238 413 A C 0.392 178.099 177.584 0.205 0.000 1.070 413 A CA -0.222 51.925 52.037 0.182 0.000 0.770 413 A CB 0.135 19.209 19.000 0.124 0.000 1.008 413 A HN 0.714 nan 8.150 nan 0.000 0.497 414 N N 1.304 120.131 118.700 0.211 0.000 3.103 414 N HA 0.201 4.941 4.740 -0.000 0.000 0.305 414 N C -0.982 174.649 175.510 0.203 0.000 1.232 414 N CA 0.279 53.479 53.050 0.251 0.000 1.190 414 N CB -0.884 37.752 38.487 0.247 0.000 1.461 414 N HN 0.486 nan 8.380 nan 0.000 0.538 415 I N 1.182 121.868 120.570 0.193 0.000 2.476 415 I HA 0.225 4.395 4.170 -0.000 0.000 0.281 415 I C -0.570 175.648 176.117 0.169 0.000 1.040 415 I CA -0.602 60.797 61.300 0.165 0.000 1.094 415 I CB 1.687 39.762 38.000 0.125 0.000 1.219 415 I HN 0.165 nan 8.210 nan 0.000 0.450 416 Q N 4.452 124.344 119.800 0.153 0.000 2.285 416 Q HA 0.461 4.801 4.340 -0.000 0.000 0.269 416 Q C -0.566 175.496 176.000 0.102 0.000 1.030 416 Q CA -0.530 55.337 55.803 0.106 0.000 0.788 416 Q CB 2.089 30.862 28.738 0.058 0.000 1.266 416 Q HN 0.690 nan 8.270 nan 0.000 0.438 417 T N -0.002 114.612 114.554 0.100 0.000 3.448 417 T HA 0.116 4.466 4.350 -0.000 0.000 0.271 417 T C 0.538 175.287 174.700 0.081 0.000 1.002 417 T CA -0.297 61.871 62.100 0.113 0.000 0.995 417 T CB 0.046 68.961 68.868 0.079 0.000 1.153 417 T HN 0.745 nan 8.240 nan 0.000 0.510 418 H N 1.908 120.904 119.070 -0.123 0.000 2.421 418 H HA 0.117 4.673 4.556 -0.000 0.000 0.298 418 H C 2.157 177.379 175.328 -0.176 0.000 1.087 418 H CA 1.957 57.904 56.048 -0.168 0.000 1.330 418 H CB -0.461 29.163 29.762 -0.230 0.000 1.388 418 H HN 0.570 nan 8.280 nan 0.000 0.526 419 G N -0.201 108.414 108.800 -0.307 0.000 2.650 419 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.214 419 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.214 419 G C 0.543 175.486 174.900 0.071 0.000 1.136 419 G CA -0.178 44.791 45.100 -0.219 0.000 0.789 419 G HN 0.169 nan 8.290 nan 0.000 0.536 420 M N 0.733 120.402 119.600 0.116 0.000 2.248 420 M HA 0.256 4.736 4.480 -0.000 0.000 0.337 420 M C -0.452 175.831 176.300 -0.028 0.000 1.121 420 M CA -0.099 55.236 55.300 0.059 0.000 1.155 420 M CB 1.337 33.952 32.600 0.026 0.000 1.514 420 M HN -0.209 nan 8.290 nan 0.000 0.452 421 V N 5.279 125.173 119.914 -0.034 0.000 2.409 421 V HA 0.364 4.484 4.120 -0.000 0.000 0.290 421 V C -1.880 174.190 176.094 -0.040 0.000 1.017 421 V CA -1.299 60.971 62.300 -0.050 0.000 0.841 421 V CB 1.650 33.439 31.823 -0.057 0.000 1.003 421 V HN 0.735 nan 8.190 nan 0.000 0.426 422 P HA 0.260 nan 4.420 nan 0.000 0.275 422 P C 0.982 178.268 177.300 -0.023 0.000 1.266 422 P CA -0.571 62.510 63.100 -0.032 0.000 0.793 422 P CB 1.078 32.768 31.700 -0.017 0.000 1.074 423 M N 0.646 120.239 119.600 -0.013 0.000 2.346 423 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 423 M C 1.206 177.534 176.300 0.046 0.000 1.064 423 M CA 1.728 57.037 55.300 0.015 0.000 1.083 423 M CB -0.455 32.169 32.600 0.040 0.000 1.399 423 M HN 0.375 nan 8.290 nan 0.000 0.435 424 N N -0.099 118.628 118.700 0.045 0.000 2.314 424 N HA -0.078 4.662 4.740 -0.000 0.000 0.200 424 N C 1.179 176.679 175.510 -0.016 0.000 1.135 424 N CA 0.180 53.261 53.050 0.051 0.000 0.835 424 N CB -0.690 37.846 38.487 0.081 0.000 0.989 424 N HN 0.358 nan 8.380 nan 0.000 0.478 425 R N 0.411 120.884 120.500 -0.045 0.000 2.103 425 R HA -0.013 4.327 4.340 -0.000 0.000 0.242 425 R C 1.475 177.690 176.300 -0.143 0.000 1.142 425 R CA 1.334 57.386 56.100 -0.079 0.000 0.960 425 R CB -0.057 30.193 30.300 -0.084 0.000 0.858 425 R HN 0.285 nan 8.270 nan 0.000 0.439 426 L N -0.590 120.490 121.223 -0.239 0.000 2.127 426 L HA -0.023 4.317 4.340 -0.000 0.000 0.203 426 L C 2.472 179.214 176.870 -0.213 0.000 1.080 426 L CA 1.407 55.986 54.840 -0.435 0.000 0.768 426 L CB -0.506 41.066 42.059 -0.811 0.000 0.924 426 L HN 0.373 nan 8.230 nan 0.000 0.444 427 T N -4.567 109.898 114.554 -0.149 0.000 3.072 427 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 427 T C 1.233 175.853 174.700 -0.133 0.000 1.127 427 T CA 1.072 63.071 62.100 -0.168 0.000 1.107 427 T CB -0.153 68.601 68.868 -0.190 0.000 0.910 427 T HN 0.108 nan 8.240 nan 0.000 0.513 428 D N 0.951 121.307 120.400 -0.073 0.000 2.349 428 D HA 0.100 4.740 4.640 -0.000 0.000 0.214 428 D C -0.190 176.097 176.300 -0.023 0.000 1.063 428 D CA -0.188 53.778 54.000 -0.055 0.000 0.847 428 D CB -0.034 40.742 40.800 -0.041 0.000 0.933 428 D HN 0.287 nan 8.370 nan 0.000 0.513 429 D N 0.077 120.480 120.400 0.005 0.000 2.313 429 D HA 0.100 4.739 4.640 -0.000 0.000 0.239 429 D C -1.614 174.739 176.300 0.089 0.000 1.142 429 D CA -2.175 51.865 54.000 0.067 0.000 0.847 429 D CB 1.864 42.749 40.800 0.143 0.000 1.082 429 D HN 0.011 nan 8.370 nan 0.000 0.480 430 P HA -0.104 nan 4.420 nan 0.000 0.225 430 P C 0.905 178.208 177.300 0.005 0.000 1.148 430 P CA 0.635 63.744 63.100 0.015 0.000 0.779 430 P CB 0.356 32.055 31.700 -0.002 0.000 0.780 431 R N -1.834 118.676 120.500 0.017 0.000 2.235 431 R HA -0.038 4.301 4.340 -0.000 0.000 0.213 431 R C 1.440 177.620 176.300 -0.199 0.000 1.059 431 R CA 0.963 57.009 56.100 -0.089 0.000 0.997 431 R CB -0.420 29.819 30.300 -0.102 0.000 0.884 431 R HN 0.322 nan 8.270 nan 0.000 0.462 432 W N -0.234 121.015 121.300 -0.085 0.000 3.220 432 W HA 0.140 4.800 4.660 -0.000 0.000 0.328 432 W C 1.474 177.937 176.519 -0.094 0.000 1.205 432 W CA -0.514 56.779 57.345 -0.086 0.000 1.773 432 W CB 0.115 29.525 29.460 -0.084 0.000 1.086 432 W HN -0.005 nan 8.180 nan 0.000 0.622 433 L N 2.121 123.378 121.223 0.057 0.000 2.017 433 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 433 L C -0.655 176.182 176.870 -0.054 0.000 1.073 433 L CA 2.228 57.059 54.840 -0.015 0.000 0.745 433 L CB -1.684 40.354 42.059 -0.035 0.000 0.894 433 L HN -0.237 nan 8.230 nan 0.000 0.432 434 P HA -0.214 nan 4.420 nan 0.000 0.214 434 P C 1.612 178.860 177.300 -0.086 0.000 1.163 434 P CA 2.358 65.398 63.100 -0.100 0.000 0.889 434 P CB -0.247 31.381 31.700 -0.121 0.000 0.790 435 A N -1.286 121.497 122.820 -0.061 0.000 1.902 435 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 435 A C 2.248 179.851 177.584 0.033 0.000 1.181 435 A CA 2.020 54.058 52.037 0.001 0.000 0.623 435 A CB -1.462 17.570 19.000 0.055 0.000 0.818 435 A HN 0.109 nan 8.150 nan 0.000 0.443 436 M N 0.256 119.883 119.600 0.045 0.000 2.117 436 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 436 M C 2.586 178.833 176.300 -0.089 0.000 1.065 436 M CA 1.815 57.113 55.300 -0.003 0.000 1.114 436 M CB -0.435 32.145 32.600 -0.033 0.000 1.361 436 M HN 0.675 nan 8.290 nan 0.000 0.408 437 S N 0.378 115.996 115.700 -0.138 0.000 2.374 437 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 437 S C 1.624 176.046 174.600 -0.297 0.000 1.037 437 S CA 1.633 59.679 58.200 -0.256 0.000 1.024 437 S CB -0.680 62.354 63.200 -0.276 0.000 0.861 437 S HN 0.530 nan 8.310 nan 0.000 0.456 438 E N 0.899 120.980 120.200 -0.198 0.000 2.153 438 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 438 E C 2.410 178.926 176.600 -0.140 0.000 0.988 438 E CA 0.841 57.135 56.400 -0.176 0.000 0.811 438 E CB -0.112 29.522 29.700 -0.111 0.000 0.746 438 E HN 0.559 nan 8.360 nan 0.000 0.466 439 R N -0.036 120.411 120.500 -0.088 0.000 2.148 439 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 439 R C 2.196 178.458 176.300 -0.064 0.000 1.088 439 R CA 0.514 56.593 56.100 -0.035 0.000 0.985 439 R CB 0.138 30.457 30.300 0.031 0.000 0.880 439 R HN 0.009 nan 8.270 nan 0.000 0.451 440 V N 0.037 119.865 119.914 -0.143 0.000 2.374 440 V HA -0.173 3.947 4.120 -0.000 0.000 0.241 440 V C 2.414 178.327 176.094 -0.301 0.000 1.034 440 V CA 2.119 64.312 62.300 -0.177 0.000 1.037 440 V CB -0.289 31.425 31.823 -0.181 0.000 0.682 440 V HN 0.506 nan 8.190 nan 0.000 0.463 441 T N -0.668 113.572 114.554 -0.523 0.000 2.777 441 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 441 T C 1.943 176.482 174.700 -0.268 0.000 1.040 441 T CA 1.354 63.040 62.100 -0.690 0.000 1.141 441 T CB -0.397 67.887 68.868 -0.973 0.000 0.868 441 T HN 0.387 nan 8.240 nan 0.000 0.444 442 R N 0.211 120.580 120.500 -0.218 0.000 2.148 442 R HA 0.230 4.570 4.340 -0.000 0.000 0.223 442 R C 2.619 178.847 176.300 -0.121 0.000 1.088 442 R CA 1.174 57.185 56.100 -0.149 0.000 0.985 442 R CB -0.435 29.785 30.300 -0.134 0.000 0.880 442 R HN 0.482 nan 8.270 nan 0.000 0.451 443 M N 0.606 120.144 119.600 -0.103 0.000 2.077 443 M HA -0.148 4.331 4.480 -0.000 0.000 0.261 443 M C 1.894 178.139 176.300 -0.092 0.000 1.070 443 M CA 1.692 56.964 55.300 -0.046 0.000 1.125 443 M CB 0.052 32.668 32.600 0.028 0.000 1.339 443 M HN -0.025 nan 8.290 nan 0.000 0.409 444 V N 1.093 120.839 119.914 -0.281 0.000 2.287 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.301 178.294 176.094 -0.168 0.000 1.053 444 V CA 2.146 64.142 62.300 -0.506 0.000 1.027 444 V CB -1.035 30.451 31.823 -0.563 0.000 0.646 444 V HN 0.594 nan 8.190 nan 0.000 0.447 445 Q N -0.749 118.991 119.800 -0.099 0.000 2.181 445 Q HA -0.252 4.088 4.340 -0.000 0.000 0.205 445 Q C 2.480 178.411 176.000 -0.115 0.000 0.980 445 Q CA 1.715 57.471 55.803 -0.078 0.000 0.862 445 Q CB -0.193 28.515 28.738 -0.050 0.000 0.905 445 Q HN 0.539 nan 8.270 nan 0.000 0.429 446 R N 0.149 120.574 120.500 -0.125 0.000 2.080 446 R HA -0.083 4.257 4.340 -0.000 0.000 0.222 446 R C 0.487 176.731 176.300 -0.093 0.000 1.107 446 R CA 1.287 57.291 56.100 -0.161 0.000 0.980 446 R CB 0.449 30.650 30.300 -0.166 0.000 0.879 446 R HN 0.147 nan 8.270 nan 0.000 0.439 447 D N -0.404 120.004 120.400 0.013 0.000 2.433 447 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 447 D C 1.238 177.654 176.300 0.193 0.000 1.114 447 D CA 0.076 54.123 54.000 0.079 0.000 0.837 447 D CB 0.345 41.096 40.800 -0.083 0.000 0.984 447 D HN 0.353 nan 8.370 nan 0.000 0.505 448 R N 0.566 121.195 120.500 0.215 0.000 2.237 448 R HA 0.040 4.380 4.340 -0.000 0.000 0.219 448 R C 0.800 177.123 176.300 0.039 0.000 1.080 448 R CA 0.826 57.074 56.100 0.246 0.000 0.995 448 R CB -0.233 30.153 30.300 0.142 0.000 0.875 448 R HN -0.087 nan 8.270 nan 0.000 0.462 449 N N 0.306 118.963 118.700 -0.072 0.000 2.353 449 N HA -0.012 4.728 4.740 -0.000 0.000 0.185 449 N C -0.408 174.983 175.510 -0.198 0.000 1.098 449 N CA 0.291 53.258 53.050 -0.137 0.000 0.872 449 N CB 0.072 38.456 38.487 -0.172 0.000 0.970 449 N HN 0.295 nan 8.380 nan 0.000 0.467 450 H N 1.727 120.738 119.070 -0.099 0.000 2.878 450 H HA 0.081 4.637 4.556 -0.000 0.000 0.290 450 H C -1.173 174.008 175.328 -0.246 0.000 1.065 450 H CA -1.096 54.872 56.048 -0.134 0.000 1.477 450 H CB 1.371 31.082 29.762 -0.086 0.000 1.484 450 H HN 0.097 nan 8.280 nan 0.000 0.504 451 P HA -0.153 nan 4.420 nan 0.000 0.220 451 P C 1.491 178.309 177.300 -0.804 0.000 1.148 451 P CA 1.039 63.784 63.100 -0.591 0.000 0.803 451 P CB 0.304 31.450 31.700 -0.923 0.000 0.782 452 S N -0.541 114.783 115.700 -0.626 0.000 2.399 452 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 452 S C 1.122 175.702 174.600 -0.033 0.000 1.022 452 S CA 0.474 58.508 58.200 -0.277 0.000 0.983 452 S CB -1.586 61.598 63.200 -0.026 0.000 0.803 452 S HN -0.050 nan 8.310 nan 0.000 0.480 453 V N 3.741 123.604 119.914 -0.086 0.000 2.421 453 V HA 0.209 4.329 4.120 -0.000 0.000 0.271 453 V C 1.116 177.080 176.094 -0.217 0.000 1.031 453 V CA 0.140 62.351 62.300 -0.148 0.000 1.032 453 V CB 0.171 31.807 31.823 -0.311 0.000 1.009 453 V HN 0.648 nan 8.190 nan 0.000 0.477 454 I N 2.523 123.019 120.570 -0.123 0.000 4.187 454 I HA 0.508 4.678 4.170 -0.000 0.000 0.326 454 I C 0.388 176.404 176.117 -0.169 0.000 1.302 454 I CA 0.544 61.784 61.300 -0.099 0.000 1.196 454 I CB 0.483 38.503 38.000 0.034 0.000 1.095 454 I HN 0.320 nan 8.210 nan 0.000 0.411 455 I N 0.381 120.821 120.570 -0.216 0.000 2.607 455 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 455 I C -1.531 174.469 176.117 -0.195 0.000 1.129 455 I CA -0.403 60.809 61.300 -0.147 0.000 1.042 455 I CB 1.874 39.882 38.000 0.012 0.000 1.242 455 I HN 0.025 nan 8.210 nan 0.000 0.421 456 W N 4.367 125.716 121.300 0.082 0.000 2.365 456 W HA 0.591 5.251 4.660 -0.000 0.000 0.316 456 W C 0.539 177.124 176.519 0.110 0.000 1.164 456 W CA -0.530 56.869 57.345 0.090 0.000 1.204 456 W CB 1.479 30.986 29.460 0.080 0.000 1.213 456 W HN 0.316 nan 8.180 nan 0.000 0.539 457 S N 2.851 118.775 115.700 0.372 0.000 2.503 457 S HA 0.414 4.884 4.470 -0.000 0.000 0.301 457 S C 0.326 175.095 174.600 0.282 0.000 1.087 457 S CA -0.727 57.648 58.200 0.292 0.000 1.042 457 S CB 0.830 64.157 63.200 0.212 0.000 1.043 457 S HN 0.586 nan 8.310 nan 0.000 0.489 458 L N 3.980 125.361 121.223 0.263 0.000 2.599 458 L HA 0.335 4.675 4.340 -0.000 0.000 0.230 458 L C 1.368 178.304 176.870 0.110 0.000 1.141 458 L CA 0.503 55.418 54.840 0.125 0.000 0.877 458 L CB -1.044 40.989 42.059 -0.043 0.000 1.009 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N 0.111 109.063 108.800 0.254 0.000 2.280 459 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.277 459 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.277 459 G C -1.581 173.525 174.900 0.344 0.000 1.288 459 G CA -0.586 44.675 45.100 0.268 0.000 1.075 459 G HN 0.169 nan 8.290 nan 0.000 0.480 460 N N 0.187 119.026 118.700 0.232 0.000 2.324 460 N HA 0.484 5.224 4.740 -0.000 0.000 0.285 460 N C -0.411 175.077 175.510 -0.038 0.000 1.076 460 N CA 0.083 53.119 53.050 -0.023 0.000 0.864 460 N CB 1.610 39.803 38.487 -0.490 0.000 1.632 460 N HN 0.878 nan 8.380 nan 0.000 0.478 461 E N 0.916 121.037 120.200 -0.131 0.000 2.197 461 E HA -0.178 4.172 4.350 -0.000 0.000 0.184 461 E C -0.821 175.825 176.600 0.076 0.000 1.439 461 E CA 0.749 57.079 56.400 -0.116 0.000 0.688 461 E CB -1.260 28.221 29.700 -0.365 0.000 1.090 461 E HN 0.454 nan 8.360 nan 0.000 0.341 462 S N 0.014 115.845 115.700 0.219 0.000 2.941 462 S HA 0.407 4.877 4.470 -0.000 0.000 0.251 462 S C 0.649 175.441 174.600 0.321 0.000 1.029 462 S CA -0.149 58.215 58.200 0.274 0.000 1.062 462 S CB 1.390 64.797 63.200 0.346 0.000 0.977 462 S HN 0.848 nan 8.310 nan 0.000 0.552 463 G N 1.992 110.928 108.800 0.227 0.000 2.601 463 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 463 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 463 G C -0.531 174.577 174.900 0.346 0.000 1.289 463 G CA -0.140 45.084 45.100 0.207 0.000 0.920 463 G HN 0.620 nan 8.290 nan 0.000 0.571 464 H N 0.613 119.808 119.070 0.209 0.000 2.823 464 H HA 0.579 5.135 4.556 -0.000 0.000 0.332 464 H C 0.316 175.807 175.328 0.270 0.000 0.980 464 H CA 0.075 56.285 56.048 0.270 0.000 1.286 464 H CB 0.734 30.594 29.762 0.164 0.000 1.541 464 H HN 1.073 nan 8.280 nan 0.000 0.521 465 G N 1.505 110.321 108.800 0.026 0.000 2.600 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.303 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.303 465 G C 0.629 175.368 174.900 -0.268 0.000 1.253 465 G CA -0.150 44.846 45.100 -0.173 0.000 0.974 465 G HN 0.670 nan 8.290 nan 0.000 0.483 466 A N 0.351 123.066 122.820 -0.176 0.000 1.986 466 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 466 A C 2.143 179.689 177.584 -0.063 0.000 1.171 466 A CA 2.051 54.030 52.037 -0.097 0.000 0.640 466 A CB -0.463 18.507 19.000 -0.049 0.000 0.811 466 A HN 0.543 nan 8.150 nan 0.000 0.451 467 N N -0.340 118.290 118.700 -0.116 0.000 2.223 467 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 467 N C 1.381 176.806 175.510 -0.141 0.000 1.016 467 N CA 1.717 54.684 53.050 -0.139 0.000 0.863 467 N CB -0.698 37.672 38.487 -0.194 0.000 0.983 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.315 119.354 119.070 -0.052 0.000 2.353 468 H HA -0.025 4.530 4.556 -0.000 0.000 0.300 468 H C 1.254 176.644 175.328 0.104 0.000 1.090 468 H CA 1.295 57.328 56.048 -0.026 0.000 1.327 468 H CB 0.135 29.882 29.762 -0.025 0.000 1.383 468 H HN 0.177 nan 8.280 nan 0.000 0.508 469 D N 0.338 120.875 120.400 0.229 0.000 2.117 469 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 469 D C 2.318 178.759 176.300 0.236 0.000 0.987 469 D CA 1.203 55.342 54.000 0.232 0.000 0.829 469 D CB -0.424 40.477 40.800 0.169 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.649 123.558 122.820 0.148 0.000 1.902 470 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 470 A C 2.390 180.076 177.584 0.169 0.000 1.181 470 A CA 0.958 53.074 52.037 0.132 0.000 0.623 470 A CB -0.693 18.346 19.000 0.064 0.000 0.818 470 A HN 0.204 nan 8.150 nan 0.000 0.443 471 L N -2.303 119.006 121.223 0.144 0.000 2.179 471 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 471 L C 2.500 179.508 176.870 0.230 0.000 1.096 471 L CA 1.170 56.098 54.840 0.146 0.000 0.779 471 L CB -0.609 41.467 42.059 0.028 0.000 0.922 471 L HN 0.597 nan 8.230 nan 0.000 0.443 472 Y N 1.403 121.785 120.300 0.137 0.000 2.081 472 Y HA -0.376 4.174 4.550 -0.000 0.000 0.280 472 Y C 2.849 178.828 175.900 0.131 0.000 1.163 472 Y CA 1.975 60.160 58.100 0.141 0.000 1.135 472 Y CB -0.146 38.401 38.460 0.145 0.000 0.970 472 Y HN -0.027 nan 8.280 nan 0.000 0.498 473 R N -0.081 120.541 120.500 0.204 0.000 2.096 473 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 473 R C 2.048 178.354 176.300 0.010 0.000 1.127 473 R CA 1.948 58.092 56.100 0.074 0.000 0.968 473 R CB -1.535 28.876 30.300 0.185 0.000 0.861 473 R HN 0.671 nan 8.270 nan 0.000 0.440 474 W N 0.542 121.802 121.300 -0.067 0.000 2.318 474 W HA -0.191 4.469 4.660 -0.000 0.000 0.313 474 W C 1.687 178.112 176.519 -0.157 0.000 1.221 474 W CA 2.231 59.519 57.345 -0.096 0.000 1.266 474 W CB -0.325 29.081 29.460 -0.089 0.000 1.150 474 W HN 0.108 nan 8.180 nan 0.000 0.496 475 I N 0.745 121.285 120.570 -0.050 0.000 2.179 475 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 475 I C 2.492 178.387 176.117 -0.371 0.000 1.088 475 I CA 1.355 62.466 61.300 -0.315 0.000 1.357 475 I CB -0.730 37.164 38.000 -0.178 0.000 1.051 475 I HN -0.122 nan 8.210 nan 0.000 0.409 476 K N 0.626 120.828 120.400 -0.330 0.000 2.063 476 K HA -0.128 4.191 4.320 -0.000 0.000 0.208 476 K C 2.271 178.728 176.600 -0.239 0.000 1.048 476 K CA 1.464 57.581 56.287 -0.282 0.000 0.928 476 K CB -0.572 31.721 32.500 -0.345 0.000 0.713 476 K HN 0.246 nan 8.250 nan 0.000 0.442 477 S N 0.682 116.212 115.700 -0.284 0.000 2.371 477 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 477 S C 2.171 176.560 174.600 -0.352 0.000 1.029 477 S CA 0.889 58.928 58.200 -0.269 0.000 0.978 477 S CB -0.013 63.034 63.200 -0.255 0.000 0.833 477 S HN 0.021 nan 8.310 nan 0.000 0.466 478 V N 0.891 120.459 119.914 -0.576 0.000 2.535 478 V HA 0.062 4.182 4.120 -0.000 0.000 0.246 478 V C 0.408 176.248 176.094 -0.424 0.000 1.045 478 V CA 1.091 63.005 62.300 -0.643 0.000 1.058 478 V CB -0.103 30.972 31.823 -1.246 0.000 0.689 478 V HN 0.354 nan 8.190 nan 0.000 0.461 479 D N -0.558 119.638 120.400 -0.339 0.000 2.363 479 D HA 0.242 4.882 4.640 -0.000 0.000 0.258 479 D C -1.953 174.318 176.300 -0.048 0.000 1.259 479 D CA -1.678 52.238 54.000 -0.140 0.000 0.921 479 D CB 1.594 42.384 40.800 -0.017 0.000 1.201 479 D HN 0.110 nan 8.370 nan 0.000 0.524 480 P HA -0.062 nan 4.420 nan 0.000 0.237 480 P C 1.062 178.377 177.300 0.025 0.000 1.178 480 P CA 0.415 63.502 63.100 -0.022 0.000 0.766 480 P CB 0.171 31.852 31.700 -0.031 0.000 0.876 481 S N -1.021 114.705 115.700 0.043 0.000 2.522 481 S HA 0.033 4.503 4.470 -0.000 0.000 0.227 481 S C 0.947 175.580 174.600 0.055 0.000 0.986 481 S CA -0.112 58.121 58.200 0.055 0.000 0.929 481 S CB -0.404 62.823 63.200 0.045 0.000 0.769 481 S HN 0.107 nan 8.310 nan 0.000 0.529 482 R N 1.345 121.893 120.500 0.079 0.000 2.575 482 R HA 0.525 4.865 4.340 -0.000 0.000 0.293 482 R C -3.209 173.151 176.300 0.100 0.000 0.983 482 R CA -2.294 53.827 56.100 0.035 0.000 0.887 482 R CB 1.481 31.702 30.300 -0.133 0.000 1.184 482 R HN 0.152 nan 8.270 nan 0.000 0.445 483 P HA 0.021 nan 4.420 nan 0.000 0.269 483 P C -0.747 176.657 177.300 0.173 0.000 1.215 483 P CA -0.276 62.889 63.100 0.108 0.000 0.780 483 P CB 0.632 32.381 31.700 0.082 0.000 0.898 484 V N 3.036 123.078 119.914 0.214 0.000 2.417 484 V HA 0.375 4.495 4.120 -0.000 0.000 0.291 484 V C 0.277 176.557 176.094 0.311 0.000 1.024 484 V CA -0.309 62.165 62.300 0.290 0.000 0.861 484 V CB 1.016 32.981 31.823 0.237 0.000 0.985 484 V HN 0.596 nan 8.190 nan 0.000 0.436 485 Q N 4.028 123.990 119.800 0.270 0.000 2.399 485 Q HA 0.819 5.158 4.340 -0.000 0.000 0.276 485 Q C -1.757 174.415 176.000 0.287 0.000 1.098 485 Q CA -0.919 55.016 55.803 0.219 0.000 0.827 485 Q CB 2.960 31.776 28.738 0.131 0.000 1.386 485 Q HN 0.651 nan 8.270 nan 0.000 0.443 486 Y N -0.031 120.294 120.300 0.042 0.000 2.409 486 Y HA 0.138 4.687 4.550 -0.000 0.000 0.321 486 Y C -0.540 175.322 175.900 -0.064 0.000 1.209 486 Y CA -0.710 57.386 58.100 -0.007 0.000 1.086 486 Y CB 2.028 40.480 38.460 -0.014 0.000 1.320 486 Y HN 0.940 nan 8.280 nan 0.000 0.440 487 E N 3.296 123.042 120.200 -0.757 0.000 2.250 487 E HA 0.136 4.486 4.350 -0.000 0.000 0.192 487 E C 0.655 176.850 176.600 -0.675 0.000 0.986 487 E CA 0.746 56.809 56.400 -0.561 0.000 0.849 487 E CB 0.231 29.715 29.700 -0.360 0.000 0.797 487 E HN 0.890 nan 8.360 nan 0.000 0.482 488 G N -0.119 107.886 108.800 -1.326 0.000 2.484 488 G HA2 0.230 4.190 3.960 -0.000 0.000 0.235 488 G HA3 0.230 4.190 3.960 -0.000 0.000 0.235 488 G C 0.782 175.565 174.900 -0.196 0.000 1.282 488 G CA 0.294 45.011 45.100 -0.637 0.000 0.857 488 G HN 0.341 nan 8.290 nan 0.000 0.571 489 G N -0.407 108.381 108.800 -0.019 0.000 2.176 489 G HA2 0.237 4.197 3.960 -0.000 0.000 0.252 489 G HA3 0.237 4.197 3.960 -0.000 0.000 0.252 489 G C 1.262 176.180 174.900 0.029 0.000 1.024 489 G CA 0.977 46.118 45.100 0.068 0.000 0.755 489 G HN 2.646 nan 8.290 nan 0.000 0.507 490 G N -1.522 107.291 108.800 0.021 0.000 2.154 490 G HA2 0.423 4.383 3.960 -0.000 0.000 0.186 490 G HA3 0.423 4.383 3.960 -0.000 0.000 0.186 490 G C 1.039 176.065 174.900 0.209 0.000 1.000 490 G CA 1.210 46.383 45.100 0.120 0.000 0.664 490 G HN 2.389 nan 8.290 nan 0.000 0.513 491 A N -0.442 122.389 122.820 0.019 0.000 3.661 491 A HA -0.136 4.184 4.320 -0.000 0.000 0.269 491 A C 1.152 178.679 177.584 -0.095 0.000 1.056 491 A CA 2.604 54.593 52.037 -0.081 0.000 1.159 491 A CB -1.727 17.203 19.000 -0.116 0.000 1.105 491 A HN 2.122 nan 8.150 nan 0.000 0.907 492 D N -0.644 119.778 120.400 0.037 0.000 2.673 492 D HA 0.315 4.955 4.640 -0.000 0.000 0.278 492 D C 0.433 176.727 176.300 -0.010 0.000 1.393 492 D CA 0.807 54.830 54.000 0.038 0.000 0.805 492 D CB -1.170 39.777 40.800 0.245 0.000 1.110 492 D HN 0.802 nan 8.370 nan 0.000 0.476 493 T N -2.449 112.034 114.554 -0.119 0.000 2.667 493 T HA 0.171 4.521 4.350 -0.000 0.000 0.305 493 T C 1.640 176.204 174.700 -0.226 0.000 1.022 493 T CA 0.424 62.368 62.100 -0.260 0.000 0.995 493 T CB 0.790 69.252 68.868 -0.677 0.000 1.026 493 T HN 0.105 nan 8.240 nan 0.000 0.527 494 T N -2.592 111.822 114.554 -0.234 0.000 3.155 494 T HA 0.169 4.519 4.350 -0.000 0.000 0.264 494 T C 1.555 176.019 174.700 -0.393 0.000 1.160 494 T CA 0.318 62.299 62.100 -0.199 0.000 1.075 494 T CB -0.506 68.326 68.868 -0.061 0.000 0.921 494 T HN 0.833 nan 8.240 nan 0.000 0.533 495 A N 0.369 123.000 122.820 -0.316 0.000 2.415 495 A HA 0.498 4.818 4.320 -0.000 0.000 0.248 495 A C 0.852 178.328 177.584 -0.181 0.000 1.299 495 A CA -0.265 51.583 52.037 -0.315 0.000 0.899 495 A CB 0.065 19.148 19.000 0.139 0.000 0.997 495 A HN 0.425 nan 8.150 nan 0.000 0.506 496 T N -1.242 113.190 114.554 -0.204 0.000 2.971 496 T HA 0.357 4.707 4.350 -0.000 0.000 0.304 496 T C -0.549 174.181 174.700 0.049 0.000 1.038 496 T CA -0.467 61.652 62.100 0.033 0.000 1.007 496 T CB 1.170 70.053 68.868 0.025 0.000 1.055 496 T HN 0.109 nan 8.240 nan 0.000 0.451 497 D N 2.993 123.502 120.400 0.182 0.000 2.323 497 D HA 0.228 4.868 4.640 -0.000 0.000 0.209 497 D C 0.395 176.732 176.300 0.060 0.000 0.973 497 D CA 0.768 54.857 54.000 0.148 0.000 0.874 497 D CB 0.448 41.366 40.800 0.196 0.000 0.930 497 D HN 0.543 nan 8.370 nan 0.000 0.521 498 I N 1.100 121.689 120.570 0.032 0.000 2.498 498 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 498 I C -0.169 175.891 176.117 -0.096 0.000 1.032 498 I CA -0.881 60.403 61.300 -0.028 0.000 1.073 498 I CB 2.713 40.708 38.000 -0.008 0.000 1.251 498 I HN -0.346 nan 8.210 nan 0.000 0.426 499 I N 5.996 126.462 120.570 -0.174 0.000 2.578 499 I HA -0.000 4.170 4.170 -0.000 0.000 0.286 499 I C 0.348 176.258 176.117 -0.345 0.000 1.126 499 I CA 0.130 61.230 61.300 -0.333 0.000 1.380 499 I CB -0.004 37.689 38.000 -0.512 0.000 1.408 499 I HN 0.692 nan 8.210 nan 0.000 0.532 500 C N 5.810 124.925 119.300 -0.308 0.000 3.290 500 C HA 0.478 4.938 4.460 -0.000 0.000 0.206 500 C C -2.082 172.778 174.990 -0.216 0.000 1.639 500 C CA -2.222 56.671 59.018 -0.209 0.000 1.408 500 C CB -0.917 26.763 27.740 -0.101 0.000 2.197 500 C HN 0.426 nan 8.230 nan 0.000 0.508 501 P HA 0.301 nan 4.420 nan 0.000 0.272 501 P C -0.436 176.816 177.300 -0.081 0.000 1.240 501 P CA 0.287 63.292 63.100 -0.159 0.000 0.791 501 P CB 0.850 32.462 31.700 -0.147 0.000 0.978 502 M N 0.291 119.869 119.600 -0.036 0.000 2.167 502 M HA 0.427 4.906 4.480 -0.000 0.000 0.333 502 M C -0.800 175.504 176.300 0.007 0.000 1.030 502 M CA -0.635 54.548 55.300 -0.194 0.000 0.963 502 M CB 0.994 33.455 32.600 -0.231 0.000 1.589 502 M HN 0.328 nan 8.290 nan 0.000 0.431 503 Y N -0.065 120.394 120.300 0.265 0.000 4.272 503 Y HA -0.215 4.335 4.550 -0.000 0.000 0.232 503 Y C 0.513 176.585 175.900 0.286 0.000 1.149 503 Y CA 0.429 58.692 58.100 0.272 0.000 1.961 503 Y CB -2.241 36.353 38.460 0.223 0.000 1.611 503 Y HN 0.976 nan 8.280 nan 0.000 0.682 504 A N 1.196 124.238 122.820 0.370 0.000 2.488 504 A HA 0.532 4.852 4.320 -0.000 0.000 0.249 504 A C 0.732 178.538 177.584 0.370 0.000 1.083 504 A CA -0.368 51.895 52.037 0.375 0.000 0.768 504 A CB 0.357 19.628 19.000 0.452 0.000 1.017 504 A HN 0.429 nan 8.150 nan 0.000 0.496 505 R N 1.621 122.267 120.500 0.244 0.000 2.546 505 R HA 0.347 4.687 4.340 -0.000 0.000 0.266 505 R C 1.016 177.283 176.300 -0.055 0.000 1.086 505 R CA -0.754 55.413 56.100 0.112 0.000 1.160 505 R CB 0.639 30.975 30.300 0.061 0.000 1.138 505 R HN 0.490 nan 8.270 nan 0.000 0.567 506 V N 0.676 120.393 119.914 -0.327 0.000 2.244 506 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 506 V C 1.011 176.989 176.094 -0.193 0.000 1.042 506 V CA 1.874 63.947 62.300 -0.378 0.000 1.006 506 V CB -0.253 31.228 31.823 -0.571 0.000 0.641 506 V HN 0.752 nan 8.190 nan 0.000 0.446 507 D N -1.430 118.889 120.400 -0.136 0.000 2.454 507 D HA 0.090 4.730 4.640 -0.000 0.000 0.219 507 D C 0.934 177.217 176.300 -0.028 0.000 1.081 507 D CA 0.060 54.016 54.000 -0.073 0.000 0.867 507 D CB 0.656 41.419 40.800 -0.062 0.000 1.054 507 D HN 0.465 nan 8.370 nan 0.000 0.500 508 E N 2.106 122.293 120.200 -0.022 0.000 2.167 508 E HA 0.085 4.435 4.350 -0.000 0.000 0.284 508 E C -0.796 175.803 176.600 -0.001 0.000 1.016 508 E CA -0.579 55.816 56.400 -0.008 0.000 0.817 508 E CB 0.861 30.557 29.700 -0.007 0.000 1.080 508 E HN -0.148 nan 8.360 nan 0.000 0.397 509 D N 3.837 124.240 120.400 0.004 0.000 2.382 509 D HA 0.069 4.709 4.640 -0.000 0.000 0.245 509 D C -0.488 175.708 176.300 -0.174 0.000 1.120 509 D CA 0.397 54.393 54.000 -0.006 0.000 0.890 509 D CB 1.031 41.900 40.800 0.115 0.000 1.201 509 D HN 0.433 nan 8.370 nan 0.000 0.433 510 Q N 1.802 121.379 119.800 -0.372 0.000 2.674 510 Q HA 0.245 4.585 4.340 -0.000 0.000 0.249 510 Q C -2.227 173.136 176.000 -1.063 0.000 1.011 510 Q CA -1.541 53.838 55.803 -0.706 0.000 0.734 510 Q CB 2.237 30.547 28.738 -0.713 0.000 1.201 510 Q HN 0.169 nan 8.270 nan 0.000 0.498 511 P HA 0.031 nan 4.420 nan 0.000 0.220 511 P C -0.718 176.257 177.300 -0.542 0.000 1.806 511 P CA -0.158 62.490 63.100 -0.754 0.000 0.976 511 P CB -0.589 30.880 31.700 -0.385 0.000 1.952 512 F N 1.881 121.646 119.950 -0.307 0.000 2.563 512 F HA 0.139 4.666 4.527 -0.000 0.000 0.363 512 F C -1.209 174.478 175.800 -0.188 0.000 1.123 512 F CA -2.195 55.688 58.000 -0.196 0.000 1.307 512 F CB -0.724 38.184 39.000 -0.155 0.000 1.115 512 F HN 0.074 nan 8.300 nan 0.000 0.592 513 P HA 0.057 nan 4.420 nan 0.000 0.266 513 P C 0.372 177.683 177.300 0.018 0.000 1.195 513 P CA 1.247 64.358 63.100 0.018 0.000 0.768 513 P CB 0.971 32.684 31.700 0.022 0.000 0.838 514 A N 2.637 125.463 122.820 0.009 0.000 2.617 514 A HA -0.256 4.064 4.320 -0.000 0.000 0.236 514 A C 0.788 178.382 177.584 0.018 0.000 0.514 514 A CA 2.062 54.112 52.037 0.022 0.000 1.126 514 A CB -2.686 16.330 19.000 0.026 0.000 1.393 514 A HN 0.698 nan 8.150 nan 0.000 0.693 515 V N -2.832 117.086 119.914 0.008 0.000 2.454 515 V HA 0.558 4.678 4.120 -0.000 0.000 0.255 515 V C -2.356 173.727 176.094 -0.017 0.000 1.009 515 V CA -1.245 61.063 62.300 0.014 0.000 1.149 515 V CB 0.537 32.376 31.823 0.028 0.000 1.418 515 V HN 0.513 nan 8.190 nan 0.000 0.567 516 P HA 0.269 nan 4.420 nan 0.000 0.271 516 P C -0.593 176.292 177.300 -0.692 0.000 1.218 516 P CA 0.089 62.799 63.100 -0.650 0.000 0.780 516 P CB 1.026 31.860 31.700 -1.444 0.000 0.901 517 K N 2.659 122.752 120.400 -0.513 0.000 2.357 517 K HA 0.190 4.510 4.320 -0.000 0.000 0.251 517 K C -0.343 175.997 176.600 -0.433 0.000 1.069 517 K CA -0.273 55.870 56.287 -0.240 0.000 0.994 517 K CB 0.236 32.855 32.500 0.198 0.000 1.411 517 K HN 0.468 nan 8.250 nan 0.000 0.450 518 W N 1.399 122.347 121.300 -0.586 0.000 2.137 518 W HA 0.005 4.665 4.660 -0.000 0.000 0.344 518 W C 1.334 177.852 176.519 -0.003 0.000 1.286 518 W CA -0.380 56.731 57.345 -0.390 0.000 1.240 518 W CB 0.402 29.454 29.460 -0.681 0.000 1.141 518 W HN 0.377 nan 8.180 nan 0.000 0.579 519 S N 3.458 119.307 115.700 0.249 0.000 2.593 519 S HA -0.113 4.357 4.470 -0.000 0.000 0.300 519 S C 1.204 175.950 174.600 0.244 0.000 1.267 519 S CA -0.002 58.297 58.200 0.164 0.000 1.065 519 S CB 0.075 63.316 63.200 0.069 0.000 0.807 519 S HN 0.497 nan 8.310 nan 0.000 0.499 520 I N 2.906 123.585 120.570 0.181 0.000 2.361 520 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 520 I C 2.064 178.199 176.117 0.031 0.000 1.133 520 I CA 1.179 62.584 61.300 0.176 0.000 1.413 520 I CB -0.414 37.637 38.000 0.084 0.000 1.073 520 I HN 0.595 nan 8.210 nan 0.000 0.424 521 K N 1.551 121.864 120.400 -0.146 0.000 2.057 521 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 521 K C 2.287 178.866 176.600 -0.036 0.000 1.049 521 K CA 1.727 57.834 56.287 -0.300 0.000 0.931 521 K CB -0.228 32.003 32.500 -0.448 0.000 0.714 521 K HN 0.392 nan 8.250 nan 0.000 0.440 522 K N 0.263 120.673 120.400 0.017 0.000 2.062 522 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 522 K C 1.943 178.564 176.600 0.035 0.000 1.051 522 K CA 0.867 57.155 56.287 0.001 0.000 0.941 522 K CB -0.075 32.396 32.500 -0.047 0.000 0.719 522 K HN 0.211 nan 8.250 nan 0.000 0.440 523 W N 2.105 123.383 121.300 -0.037 0.000 2.338 523 W HA -0.194 4.466 4.660 -0.000 0.000 0.304 523 W C 1.613 178.110 176.519 -0.036 0.000 1.212 523 W CA 1.153 58.491 57.345 -0.011 0.000 1.264 523 W CB -0.576 28.955 29.460 0.118 0.000 1.142 523 W HN 0.103 nan 8.180 nan 0.000 0.512 524 L N 0.683 122.050 121.223 0.239 0.000 2.127 524 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 524 L C 2.215 179.145 176.870 0.100 0.000 1.089 524 L CA 1.977 56.896 54.840 0.131 0.000 0.757 524 L CB -0.933 41.191 42.059 0.107 0.000 0.899 524 L HN -0.016 nan 8.230 nan 0.000 0.434 525 S N -1.559 114.184 115.700 0.072 0.000 2.568 525 S HA 0.269 4.738 4.470 -0.000 0.000 0.232 525 S C 0.533 175.118 174.600 -0.024 0.000 0.975 525 S CA -0.572 57.644 58.200 0.028 0.000 0.949 525 S CB -0.361 62.857 63.200 0.030 0.000 0.829 525 S HN 0.135 nan 8.310 nan 0.000 0.479 526 L N 2.087 123.282 121.223 -0.045 0.000 2.529 526 L HA 0.183 4.523 4.340 -0.000 0.000 0.287 526 L C -2.218 174.618 176.870 -0.056 0.000 1.241 526 L CA -1.455 53.315 54.840 -0.117 0.000 0.857 526 L CB -0.417 41.544 42.059 -0.162 0.000 1.113 526 L HN 0.030 nan 8.230 nan 0.000 0.504 527 P HA -0.044 nan 4.420 nan 0.000 0.258 527 P C 0.755 178.049 177.300 -0.012 0.000 1.172 527 P CA 1.201 64.278 63.100 -0.038 0.000 0.762 527 P CB 0.442 32.114 31.700 -0.047 0.000 0.764 528 G N 1.990 110.790 108.800 -0.000 0.000 2.199 528 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 528 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 528 G C 0.265 175.180 174.900 0.025 0.000 0.982 528 G CA -0.027 45.081 45.100 0.013 0.000 0.632 528 G HN 0.595 nan 8.290 nan 0.000 0.529 529 E N 1.120 121.339 120.200 0.032 0.000 2.316 529 E HA 0.594 4.943 4.350 -0.000 0.000 0.275 529 E C 1.388 178.011 176.600 0.038 0.000 1.029 529 E CA 0.690 57.121 56.400 0.051 0.000 0.871 529 E CB 0.816 30.570 29.700 0.091 0.000 1.022 529 E HN 0.536 nan 8.360 nan 0.000 0.418 530 T N 0.623 115.196 114.554 0.032 0.000 3.009 530 T HA 0.319 4.669 4.350 -0.000 0.000 0.267 530 T C 0.594 175.303 174.700 0.015 0.000 0.942 530 T CA -0.433 61.681 62.100 0.023 0.000 0.883 530 T CB 0.115 68.996 68.868 0.022 0.000 1.192 530 T HN 0.238 nan 8.240 nan 0.000 0.524 531 R N 2.588 123.093 120.500 0.008 0.000 2.615 531 R HA 0.428 4.768 4.340 -0.000 0.000 0.270 531 R C -2.495 173.786 176.300 -0.032 0.000 1.081 531 R CA -1.868 54.226 56.100 -0.010 0.000 1.154 531 R CB 0.127 30.415 30.300 -0.020 0.000 1.063 531 R HN 0.251 nan 8.270 nan 0.000 0.519 532 P HA 0.027 nan 4.420 nan 0.000 0.272 532 P C -1.012 176.218 177.300 -0.116 0.000 1.223 532 P CA 0.004 63.063 63.100 -0.069 0.000 0.784 532 P CB 0.705 32.367 31.700 -0.064 0.000 0.923 533 L N 3.310 124.444 121.223 -0.149 0.000 2.325 533 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 533 L C -0.870 175.855 176.870 -0.241 0.000 1.004 533 L CA -0.682 54.030 54.840 -0.214 0.000 0.823 533 L CB 0.553 42.478 42.059 -0.222 0.000 1.236 533 L HN 0.243 nan 8.230 nan 0.000 0.415 534 I N 5.761 126.193 120.570 -0.230 0.000 2.500 534 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 534 I C -0.736 175.278 176.117 -0.171 0.000 1.063 534 I CA -0.573 60.572 61.300 -0.258 0.000 1.062 534 I CB 2.006 39.902 38.000 -0.174 0.000 1.223 534 I HN 0.478 nan 8.210 nan 0.000 0.435 535 L N 5.610 126.698 121.223 -0.226 0.000 2.477 535 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 535 L C 1.518 178.459 176.870 0.119 0.000 1.157 535 L CA -0.137 54.642 54.840 -0.103 0.000 0.889 535 L CB 0.637 42.597 42.059 -0.164 0.000 1.158 535 L HN 0.883 nan 8.230 nan 0.000 0.473 536 C N 0.592 119.951 119.300 0.098 0.000 2.446 536 C HA 0.115 4.574 4.460 -0.000 0.000 0.279 536 C C 0.687 175.811 174.990 0.224 0.000 1.366 536 C CA -0.134 58.990 59.018 0.178 0.000 1.763 536 C CB -0.946 26.805 27.740 0.019 0.000 1.929 536 C HN 0.821 nan 8.230 nan 0.000 0.509 537 E N -0.859 119.394 120.200 0.087 0.000 2.304 537 E HA 0.612 4.962 4.350 -0.000 0.000 0.277 537 E C -1.310 175.202 176.600 -0.148 0.000 0.898 537 E CA -0.397 56.013 56.400 0.017 0.000 0.764 537 E CB 1.996 31.544 29.700 -0.253 0.000 1.216 537 E HN 0.676 nan 8.360 nan 0.000 0.419 538 Y N -0.753 119.490 120.300 -0.095 0.000 2.725 538 Y HA 0.637 5.187 4.550 -0.000 0.000 0.333 538 Y C -0.706 175.334 175.900 0.233 0.000 1.242 538 Y CA -0.853 57.212 58.100 -0.058 0.000 1.059 538 Y CB 0.825 39.119 38.460 -0.276 0.000 1.306 538 Y HN 0.626 nan 8.280 nan 0.000 0.454 539 A N 1.954 124.801 122.820 0.045 0.000 2.251 539 A HA -0.264 4.056 4.320 -0.000 0.000 0.283 539 A C -0.341 177.354 177.584 0.186 0.000 1.415 539 A CA 1.089 53.167 52.037 0.069 0.000 0.742 539 A CB -2.504 16.453 19.000 -0.072 0.000 1.151 539 A HN 1.051 nan 8.150 nan 0.000 0.354 540 H N 0.582 119.797 119.070 0.242 0.000 3.184 540 H HA 0.244 4.800 4.556 -0.000 0.000 0.274 540 H C 1.051 176.424 175.328 0.075 0.000 0.962 540 H CA 1.015 57.205 56.048 0.236 0.000 1.441 540 H CB 0.483 30.276 29.762 0.052 0.000 1.518 540 H HN 0.803 nan 8.280 nan 0.000 0.539 541 A N 6.827 129.555 122.820 -0.152 0.000 3.163 541 A HA 0.097 4.417 4.320 -0.000 0.000 0.283 541 A C 0.784 178.211 177.584 -0.261 0.000 1.412 541 A CA -0.474 51.442 52.037 -0.202 0.000 1.053 541 A CB -0.475 18.371 19.000 -0.257 0.000 1.082 541 A HN 0.783 nan 8.150 nan 0.000 0.639 542 M N 1.657 121.137 119.600 -0.199 0.000 2.156 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.345 542 M C 1.052 177.211 176.300 -0.234 0.000 1.398 542 M CA 1.257 56.440 55.300 -0.194 0.000 1.148 542 M CB -0.218 32.345 32.600 -0.062 0.000 1.663 542 M HN 0.838 nan 8.290 nan 0.000 0.464 543 G N 4.435 113.079 108.800 -0.259 0.000 2.574 543 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.286 543 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.286 543 G C -0.082 174.378 174.900 -0.733 0.000 1.212 543 G CA 0.071 44.881 45.100 -0.483 0.000 0.979 543 G HN 0.815 nan 8.290 nan 0.000 0.557 544 N N 1.495 119.585 118.700 -1.017 0.000 2.434 544 N HA 0.463 5.203 4.740 -0.000 0.000 0.273 544 N C -0.021 175.257 175.510 -0.387 0.000 1.210 544 N CA 1.168 53.784 53.050 -0.723 0.000 0.992 544 N CB 0.290 38.385 38.487 -0.653 0.000 1.355 544 N HN 0.804 nan 8.380 nan 0.000 0.495 545 S N 1.971 117.524 115.700 -0.246 0.000 2.880 545 S HA 0.597 5.067 4.470 -0.000 0.000 0.308 545 S C -0.124 174.412 174.600 -0.106 0.000 1.195 545 S CA -0.395 57.706 58.200 -0.164 0.000 0.866 545 S CB 0.207 63.326 63.200 -0.135 0.000 1.254 545 S HN 0.372 nan 8.310 nan 0.000 0.571 546 L N 0.221 121.411 121.223 -0.055 0.000 4.613 546 L HA -0.058 4.282 4.340 -0.000 0.000 0.409 546 L C 0.492 177.400 176.870 0.064 0.000 1.100 546 L CA 0.875 55.712 54.840 -0.006 0.000 1.029 546 L CB -1.673 40.296 42.059 -0.149 0.000 2.137 546 L HN 0.755 nan 8.230 nan 0.000 0.713 547 G N -0.609 108.197 108.800 0.009 0.000 2.313 547 G HA2 0.466 4.426 3.960 -0.000 0.000 0.250 547 G HA3 0.466 4.426 3.960 -0.000 0.000 0.250 547 G C 1.228 176.164 174.900 0.061 0.000 1.281 547 G CA 0.187 45.270 45.100 -0.029 0.000 0.917 547 G HN 1.447 nan 8.290 nan 0.000 0.501 548 G N 1.726 110.556 108.800 0.050 0.000 2.141 548 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.242 548 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.242 548 G C 0.940 176.021 174.900 0.302 0.000 0.982 548 G CA 0.702 45.888 45.100 0.142 0.000 0.662 548 G HN 0.787 nan 8.290 nan 0.000 0.527 549 F N 1.667 121.737 119.950 0.199 0.000 2.171 549 F HA 0.159 4.686 4.527 -0.000 0.000 0.300 549 F C 2.632 178.640 175.800 0.347 0.000 1.090 549 F CA 2.382 60.572 58.000 0.317 0.000 1.293 549 F CB -0.362 38.766 39.000 0.214 0.000 1.013 549 F HN 0.339 nan 8.300 nan 0.000 0.486 550 A N -0.312 122.676 122.820 0.281 0.000 1.972 550 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 550 A C 2.301 179.919 177.584 0.056 0.000 1.169 550 A CA 1.777 53.914 52.037 0.166 0.000 0.635 550 A CB -0.768 18.336 19.000 0.173 0.000 0.810 550 A HN 0.443 nan 8.150 nan 0.000 0.446 551 K N -1.618 118.795 120.400 0.020 0.000 2.057 551 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 551 K C 1.736 178.128 176.600 -0.346 0.000 1.050 551 K CA 1.507 57.724 56.287 -0.117 0.000 0.935 551 K CB -0.308 32.124 32.500 -0.113 0.000 0.715 551 K HN 0.573 nan 8.250 nan 0.000 0.439 552 Y N -0.837 119.204 120.300 -0.432 0.000 2.128 552 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 552 Y C 1.998 176.974 175.900 -1.539 0.000 1.154 552 Y CA 1.634 59.117 58.100 -1.029 0.000 1.149 552 Y CB -0.297 37.552 38.460 -1.019 0.000 0.976 552 Y HN 0.193 nan 8.280 nan 0.000 0.505 553 W N -0.160 120.720 121.300 -0.701 0.000 2.402 553 W HA -0.163 4.497 4.660 -0.000 0.000 0.286 553 W C 2.608 178.964 176.519 -0.271 0.000 1.221 553 W CA 1.248 58.308 57.345 -0.476 0.000 1.257 553 W CB -0.423 28.843 29.460 -0.323 0.000 1.120 553 W HN 0.040 nan 8.180 nan 0.000 0.551 554 Q N 0.838 120.593 119.800 -0.075 0.000 2.084 554 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 554 Q C 2.181 178.145 176.000 -0.060 0.000 0.978 554 Q CA 2.098 57.880 55.803 -0.035 0.000 0.844 554 Q CB -0.553 28.173 28.738 -0.019 0.000 0.898 554 Q HN 0.277 nan 8.270 nan 0.000 0.426 555 A N 0.128 122.825 122.820 -0.205 0.000 1.898 555 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 555 A C 1.836 179.404 177.584 -0.026 0.000 1.181 555 A CA 1.116 53.056 52.037 -0.162 0.000 0.620 555 A CB -0.793 17.986 19.000 -0.369 0.000 0.819 555 A HN 0.362 nan 8.150 nan 0.000 0.442 556 F N 0.353 120.156 119.950 -0.246 0.000 2.120 556 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 556 F C 2.519 178.240 175.800 -0.131 0.000 1.095 556 F CA 1.387 59.204 58.000 -0.306 0.000 1.249 556 F CB -0.899 37.703 39.000 -0.664 0.000 0.995 556 F HN 0.192 nan 8.300 nan 0.000 0.480 557 R N -0.359 120.218 120.500 0.128 0.000 2.115 557 R HA -0.130 4.210 4.340 -0.000 0.000 0.226 557 R C 2.157 178.500 176.300 0.073 0.000 1.100 557 R CA 1.065 57.218 56.100 0.089 0.000 0.980 557 R CB -0.458 29.891 30.300 0.081 0.000 0.875 557 R HN 0.384 nan 8.270 nan 0.000 0.445 558 Q N -0.204 119.666 119.800 0.116 0.000 2.137 558 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 558 Q C -0.403 175.626 176.000 0.049 0.000 0.960 558 Q CA 0.994 56.854 55.803 0.094 0.000 0.847 558 Q CB 0.361 29.192 28.738 0.154 0.000 0.915 558 Q HN 0.194 nan 8.270 nan 0.000 0.448 559 Y N 0.210 120.498 120.300 -0.020 0.000 2.385 559 Y HA 0.248 4.798 4.550 -0.000 0.000 0.341 559 Y C -1.760 174.120 175.900 -0.034 0.000 0.965 559 Y CA -2.761 55.325 58.100 -0.022 0.000 1.180 559 Y CB 1.352 39.802 38.460 -0.016 0.000 1.139 559 Y HN 0.146 nan 8.280 nan 0.000 0.502 560 P HA -0.224 nan 4.420 nan 0.000 0.216 560 P C 1.141 178.443 177.300 0.005 0.000 1.157 560 P CA 1.983 65.086 63.100 0.005 0.000 0.880 560 P CB 0.299 31.988 31.700 -0.018 0.000 0.791 561 R N -1.304 119.217 120.500 0.036 0.000 2.299 561 R HA 0.114 4.454 4.340 -0.000 0.000 0.197 561 R C 0.457 176.736 176.300 -0.034 0.000 0.971 561 R CA 0.044 56.145 56.100 0.001 0.000 1.030 561 R CB -0.423 29.889 30.300 0.019 0.000 0.932 561 R HN 0.238 nan 8.270 nan 0.000 0.477 562 L N 2.012 123.233 121.223 -0.003 0.000 2.334 562 L HA 0.121 4.461 4.340 -0.000 0.000 0.286 562 L C 0.529 177.254 176.870 -0.242 0.000 1.108 562 L CA 0.211 55.000 54.840 -0.084 0.000 0.875 562 L CB 0.949 43.033 42.059 0.042 0.000 1.246 562 L HN 0.082 nan 8.230 nan 0.000 0.439 563 Q N 2.718 122.297 119.800 -0.369 0.000 2.211 563 Q HA 0.313 4.653 4.340 -0.000 0.000 0.231 563 Q C 0.844 176.417 176.000 -0.711 0.000 0.865 563 Q CA 0.094 55.644 55.803 -0.422 0.000 0.997 563 Q CB 1.039 29.621 28.738 -0.261 0.000 1.101 563 Q HN 0.949 nan 8.270 nan 0.000 0.468 564 G N -0.306 107.684 108.800 -1.351 0.000 2.418 564 G HA2 0.106 4.066 3.960 -0.000 0.000 0.206 564 G HA3 0.106 4.066 3.960 -0.000 0.000 0.206 564 G C -0.304 173.699 174.900 -1.496 0.000 1.202 564 G CA -0.732 43.175 45.100 -1.989 0.000 1.061 564 G HN 0.578 nan 8.290 nan 0.000 0.563 565 G N -2.172 106.039 108.800 -0.982 0.000 2.349 565 G HA2 0.641 4.601 3.960 -0.000 0.000 0.294 565 G HA3 0.641 4.601 3.960 -0.000 0.000 0.294 565 G C -1.807 172.975 174.900 -0.196 0.000 1.380 565 G CA -0.263 44.493 45.100 -0.573 0.000 0.811 565 G HN 1.161 nan 8.290 nan 0.000 0.519 566 F N 0.731 120.907 119.950 0.376 0.000 2.403 566 F HA 0.512 5.038 4.527 -0.000 0.000 0.355 566 F C 0.768 176.824 175.800 0.427 0.000 1.119 566 F CA -0.816 57.424 58.000 0.401 0.000 1.007 566 F CB 2.018 41.154 39.000 0.227 0.000 1.194 566 F HN 0.247 nan 8.300 nan 0.000 0.443 567 V N 3.283 123.466 119.914 0.448 0.000 2.763 567 V HA -0.159 3.961 4.120 -0.000 0.000 0.306 567 V C -0.193 176.042 176.094 0.236 0.000 1.059 567 V CA -0.234 62.136 62.300 0.116 0.000 1.138 567 V CB 0.592 32.500 31.823 0.142 0.000 0.940 567 V HN 0.761 nan 8.190 nan 0.000 0.489 568 W N 6.464 127.805 121.300 0.068 0.000 2.294 568 W HA 0.459 5.119 4.660 -0.000 0.000 0.314 568 W C -0.788 175.690 176.519 -0.069 0.000 1.044 568 W CA -0.647 56.757 57.345 0.098 0.000 1.284 568 W CB 1.415 31.067 29.460 0.321 0.000 1.231 568 W HN 0.933 nan 8.180 nan 0.000 0.419 569 D N 2.645 122.778 120.400 -0.445 0.000 2.867 569 D HA 0.116 4.756 4.640 -0.000 0.000 0.308 569 D C 0.832 176.927 176.300 -0.342 0.000 1.202 569 D CA -0.533 53.113 54.000 -0.592 0.000 1.035 569 D CB 0.156 40.093 40.800 -1.438 0.000 1.427 569 D HN 0.404 nan 8.370 nan 0.000 0.570 570 W N 0.288 121.294 121.300 -0.491 0.000 2.380 570 W HA 0.127 4.787 4.660 -0.000 0.000 0.317 570 W C -0.118 176.192 176.519 -0.349 0.000 1.196 570 W CA 1.160 58.268 57.345 -0.394 0.000 1.307 570 W CB 0.293 29.543 29.460 -0.351 0.000 1.157 570 W HN 0.138 nan 8.180 nan 0.000 0.483 571 V N 2.748 122.421 119.914 -0.401 0.000 2.638 571 V HA 0.222 4.342 4.120 -0.000 0.000 0.306 571 V C -0.968 174.934 176.094 -0.320 0.000 1.052 571 V CA -0.780 61.254 62.300 -0.443 0.000 0.885 571 V CB 1.423 33.102 31.823 -0.240 0.000 0.999 571 V HN -0.093 nan 8.190 nan 0.000 0.424 572 D N 4.326 124.541 120.400 -0.308 0.000 2.533 572 D HA 0.055 4.695 4.640 -0.000 0.000 0.236 572 D C 0.405 176.594 176.300 -0.185 0.000 1.137 572 D CA 0.787 54.670 54.000 -0.195 0.000 0.867 572 D CB 0.782 41.553 40.800 -0.049 0.000 1.170 572 D HN 0.611 nan 8.370 nan 0.000 0.474 573 Q N 1.231 120.864 119.800 -0.278 0.000 2.894 573 Q HA 0.125 4.465 4.340 -0.000 0.000 0.358 573 Q C -0.133 175.874 176.000 0.011 0.000 1.155 573 Q CA -0.307 55.149 55.803 -0.578 0.000 0.960 573 Q CB 0.068 28.532 28.738 -0.457 0.000 1.428 573 Q HN 0.377 nan 8.270 nan 0.000 0.437 574 S N -0.240 115.555 115.700 0.159 0.000 2.616 574 S HA 0.645 5.115 4.470 -0.000 0.000 0.277 574 S C -0.123 174.603 174.600 0.209 0.000 1.234 574 S CA -0.756 57.614 58.200 0.283 0.000 1.028 574 S CB 1.445 64.795 63.200 0.250 0.000 0.988 574 S HN 0.303 nan 8.310 nan 0.000 0.522 575 L N 1.490 122.743 121.223 0.049 0.000 2.333 575 L HA 0.565 4.905 4.340 -0.000 0.000 0.269 575 L C -0.494 176.234 176.870 -0.236 0.000 1.010 575 L CA -1.132 53.613 54.840 -0.159 0.000 0.818 575 L CB 1.500 43.324 42.059 -0.392 0.000 1.306 575 L HN 0.645 nan 8.230 nan 0.000 0.430 576 I N 2.162 122.546 120.570 -0.310 0.000 2.379 576 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 576 I C 0.061 175.771 176.117 -0.679 0.000 1.063 576 I CA 0.034 61.028 61.300 -0.510 0.000 1.351 576 I CB 0.296 38.023 38.000 -0.455 0.000 1.410 576 I HN 0.444 nan 8.210 nan 0.000 0.505 577 K N 5.555 125.300 120.400 -1.091 0.000 2.208 577 K HA 0.576 4.896 4.320 -0.000 0.000 0.247 577 K C -1.468 174.452 176.600 -1.134 0.000 0.953 577 K CA -0.826 54.782 56.287 -1.131 0.000 0.837 577 K CB 2.022 33.586 32.500 -1.561 0.000 1.131 577 K HN 0.293 nan 8.250 nan 0.000 0.431 578 Y N 0.969 121.101 120.300 -0.280 0.000 2.364 578 Y HA 0.120 4.670 4.550 -0.000 0.000 0.340 578 Y C 0.238 176.236 175.900 0.163 0.000 0.975 578 Y CA -0.977 57.110 58.100 -0.022 0.000 1.089 578 Y CB 1.251 39.690 38.460 -0.035 0.000 1.192 578 Y HN 0.692 nan 8.280 nan 0.000 0.454 579 D N -0.112 120.529 120.400 0.401 0.000 2.453 579 D HA 0.114 4.754 4.640 -0.000 0.000 0.282 579 D C 0.617 177.011 176.300 0.158 0.000 1.222 579 D CA -0.352 53.808 54.000 0.267 0.000 1.079 579 D CB 0.513 41.409 40.800 0.160 0.000 1.128 579 D HN 0.585 nan 8.370 nan 0.000 0.568 580 E N -1.110 119.144 120.200 0.091 0.000 2.153 580 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 580 E C 1.288 177.920 176.600 0.052 0.000 0.988 580 E CA 0.816 57.249 56.400 0.055 0.000 0.811 580 E CB -0.138 29.578 29.700 0.027 0.000 0.746 580 E HN 0.321 nan 8.360 nan 0.000 0.466 581 N N -0.591 118.148 118.700 0.065 0.000 2.463 581 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 581 N C 1.100 176.652 175.510 0.071 0.000 1.078 581 N CA 1.039 54.123 53.050 0.057 0.000 0.902 581 N CB 1.025 39.545 38.487 0.055 0.000 0.970 581 N HN 0.293 nan 8.380 nan 0.000 0.451 582 G N 0.618 109.486 108.800 0.113 0.000 2.157 582 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 582 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 582 G C -0.243 174.805 174.900 0.248 0.000 0.982 582 G CA -0.408 44.770 45.100 0.130 0.000 0.650 582 G HN 0.243 nan 8.290 nan 0.000 0.527 583 N N 2.181 121.019 118.700 0.229 0.000 2.488 583 N HA 0.412 5.152 4.740 -0.000 0.000 0.274 583 N C -2.237 173.415 175.510 0.237 0.000 1.111 583 N CA -1.041 52.139 53.050 0.218 0.000 0.974 583 N CB 1.561 40.136 38.487 0.147 0.000 1.089 583 N HN 0.226 nan 8.380 nan 0.000 0.465 584 P HA 0.185 nan 4.420 nan 0.000 0.272 584 P C -0.454 176.813 177.300 -0.055 0.000 1.223 584 P CA -0.188 62.782 63.100 -0.217 0.000 0.784 584 P CB 0.617 32.184 31.700 -0.221 0.000 0.923 585 W N -0.675 120.384 121.300 -0.401 0.000 3.296 585 W HA 0.352 5.012 4.660 -0.000 0.000 0.314 585 W C -1.527 174.802 176.519 -0.316 0.000 1.238 585 W CA -0.989 56.122 57.345 -0.390 0.000 1.193 585 W CB 0.225 29.222 29.460 -0.770 0.000 1.383 585 W HN 0.123 nan 8.180 nan 0.000 0.545 586 S N 1.975 117.686 115.700 0.018 0.000 2.455 586 S HA 0.511 4.981 4.470 -0.000 0.000 0.278 586 S C 0.242 174.911 174.600 0.116 0.000 1.216 586 S CA -0.092 58.119 58.200 0.018 0.000 1.055 586 S CB 0.591 63.890 63.200 0.165 0.000 0.939 586 S HN 0.606 nan 8.310 nan 0.000 0.494 587 A N 3.372 126.100 122.820 -0.154 0.000 2.324 587 A HA 0.815 5.135 4.320 -0.000 0.000 0.330 587 A C -0.483 177.303 177.584 0.337 0.000 1.165 587 A CA -0.797 51.179 52.037 -0.102 0.000 0.813 587 A CB 0.560 19.159 19.000 -0.669 0.000 1.197 587 A HN 0.823 nan 8.150 nan 0.000 0.484 588 Y N 0.229 120.820 120.300 0.484 0.000 2.968 588 Y HA 0.789 5.339 4.550 -0.000 0.000 0.316 588 Y C 0.765 176.952 175.900 0.478 0.000 1.359 588 Y CA -1.348 57.032 58.100 0.467 0.000 1.107 588 Y CB -0.107 38.456 38.460 0.172 0.000 1.374 588 Y HN 0.760 nan 8.280 nan 0.000 0.621 589 G N -0.372 108.659 108.800 0.385 0.000 2.299 589 G HA2 0.398 4.358 3.960 -0.000 0.000 0.256 589 G HA3 0.398 4.358 3.960 -0.000 0.000 0.256 589 G C 0.784 175.952 174.900 0.447 0.000 1.259 589 G CA 0.265 45.554 45.100 0.315 0.000 0.943 589 G HN 1.856 nan 8.290 nan 0.000 0.479 590 G N 2.439 111.475 108.800 0.394 0.000 2.253 590 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 590 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 590 G C 0.774 175.827 174.900 0.254 0.000 0.997 590 G CA 0.500 45.783 45.100 0.306 0.000 0.640 590 G HN 0.591 nan 8.290 nan 0.000 0.496 591 D N -0.103 120.448 120.400 0.253 0.000 2.355 591 D HA 0.228 4.868 4.640 -0.000 0.000 0.218 591 D C 1.211 177.440 176.300 -0.118 0.000 1.004 591 D CA 0.304 54.342 54.000 0.064 0.000 0.880 591 D CB -0.119 40.670 40.800 -0.018 0.000 0.911 591 D HN 0.433 nan 8.370 nan 0.000 0.528 592 F N -0.312 119.758 119.950 0.200 0.000 2.647 592 F HA 0.312 4.839 4.527 -0.000 0.000 0.300 592 F C 1.725 177.618 175.800 0.155 0.000 1.106 592 F CA -0.252 57.844 58.000 0.161 0.000 1.313 592 F CB 0.679 39.798 39.000 0.198 0.000 1.007 592 F HN -0.038 nan 8.300 nan 0.000 0.536 593 G N 0.864 109.820 108.800 0.259 0.000 2.162 593 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 593 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 593 G C -0.273 174.756 174.900 0.214 0.000 0.976 593 G CA 0.247 45.467 45.100 0.200 0.000 0.655 593 G HN 0.524 nan 8.290 nan 0.000 0.533 594 D N -0.110 120.454 120.400 0.273 0.000 2.390 594 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 594 D C 0.163 176.571 176.300 0.179 0.000 1.144 594 D CA 0.339 54.483 54.000 0.241 0.000 0.880 594 D CB 1.573 42.549 40.800 0.294 0.000 1.182 594 D HN 0.220 nan 8.370 nan 0.000 0.451 595 T N 1.305 115.940 114.554 0.135 0.000 3.105 595 T HA 0.443 4.793 4.350 -0.000 0.000 0.321 595 T C -2.760 171.976 174.700 0.060 0.000 1.135 595 T CA -1.407 60.748 62.100 0.093 0.000 1.053 595 T CB 1.048 69.970 68.868 0.089 0.000 1.133 595 T HN 0.442 nan 8.240 nan 0.000 0.463 596 P HA 0.421 nan 4.420 nan 0.000 0.279 596 P C -0.993 176.304 177.300 -0.006 0.000 1.239 596 P CA -0.470 62.636 63.100 0.010 0.000 0.789 596 P CB 0.662 32.347 31.700 -0.024 0.000 0.933 597 N N -0.535 118.183 118.700 0.029 0.000 2.457 597 N HA 0.323 5.062 4.740 -0.000 0.000 0.290 597 N C -0.763 174.767 175.510 0.033 0.000 1.232 597 N CA -0.852 52.224 53.050 0.044 0.000 0.852 597 N CB 1.154 39.749 38.487 0.181 0.000 1.313 597 N HN 0.174 nan 8.380 nan 0.000 0.522 598 D N 0.294 120.736 120.400 0.070 0.000 3.068 598 D HA 0.241 4.881 4.640 -0.000 0.000 0.327 598 D C 0.177 176.668 176.300 0.318 0.000 1.361 598 D CA -0.175 53.887 54.000 0.102 0.000 0.877 598 D CB 0.214 40.956 40.800 -0.097 0.000 1.088 598 D HN 0.545 nan 8.370 nan 0.000 0.489 599 R N 0.783 121.438 120.500 0.259 0.000 3.772 599 R HA -0.245 4.095 4.340 -0.000 0.000 0.480 599 R C 1.036 177.336 176.300 0.001 0.000 0.241 599 R CA 1.862 58.066 56.100 0.174 0.000 1.508 599 R CB -0.940 29.374 30.300 0.023 0.000 0.956 599 R HN 0.278 nan 8.270 nan 0.000 0.583 600 Q N 1.223 120.778 119.800 -0.408 0.000 2.201 600 Q HA 0.103 4.443 4.340 -0.000 0.000 0.236 600 Q C 0.775 176.526 176.000 -0.415 0.000 0.857 600 Q CA 0.488 55.845 55.803 -0.743 0.000 1.025 600 Q CB 0.277 28.302 28.738 -1.188 0.000 1.124 600 Q HN 0.539 nan 8.270 nan 0.000 0.473 601 F N 1.060 120.917 119.950 -0.155 0.000 2.802 601 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 601 F C 1.849 177.668 175.800 0.032 0.000 1.168 601 F CA 0.464 58.471 58.000 0.012 0.000 1.433 601 F CB 0.205 39.263 39.000 0.096 0.000 1.115 601 F HN 0.447 nan 8.300 nan 0.000 0.582 602 C N -1.561 117.653 119.300 -0.145 0.000 2.696 602 C HA 0.281 4.741 4.460 -0.000 0.000 0.264 602 C C 0.997 175.878 174.990 -0.181 0.000 1.288 602 C CA -0.465 58.370 59.018 -0.304 0.000 1.717 602 C CB -1.493 25.650 27.740 -0.996 0.000 1.893 602 C HN 0.186 nan 8.230 nan 0.000 0.577 603 M N 3.207 122.707 119.600 -0.168 0.000 2.268 603 M HA 0.317 4.797 4.480 -0.000 0.000 0.340 603 M C -0.422 175.767 176.300 -0.185 0.000 1.099 603 M CA 0.210 55.415 55.300 -0.158 0.000 1.053 603 M CB 0.177 32.711 32.600 -0.111 0.000 1.284 603 M HN 0.264 nan 8.290 nan 0.000 0.410 604 N N 1.413 119.988 118.700 -0.209 0.000 2.299 604 N HA 0.173 4.913 4.740 -0.000 0.000 0.246 604 N C 0.246 175.511 175.510 -0.408 0.000 1.254 604 N CA -0.081 52.796 53.050 -0.288 0.000 0.879 604 N CB 1.375 39.741 38.487 -0.201 0.000 1.214 604 N HN 0.633 nan 8.380 nan 0.000 0.510 605 G N 0.116 108.623 108.800 -0.489 0.000 2.448 605 G HA2 0.416 4.376 3.960 -0.000 0.000 0.285 605 G HA3 0.416 4.376 3.960 -0.000 0.000 0.285 605 G C 0.982 175.365 174.900 -0.861 0.000 1.176 605 G CA -0.504 44.220 45.100 -0.626 0.000 0.852 605 G HN 0.118 nan 8.290 nan 0.000 0.530 606 L N 0.510 121.290 121.223 -0.737 0.000 2.313 606 L HA 0.087 4.427 4.340 -0.000 0.000 0.214 606 L C 1.011 177.391 176.870 -0.817 0.000 1.119 606 L CA 0.447 54.877 54.840 -0.683 0.000 0.809 606 L CB -0.311 41.499 42.059 -0.414 0.000 0.933 606 L HN 0.424 nan 8.230 nan 0.000 0.449 607 V N -4.927 114.415 119.914 -0.954 0.000 2.864 607 V HA 0.458 4.578 4.120 -0.000 0.000 0.314 607 V C -0.096 175.711 176.094 -0.479 0.000 1.073 607 V CA -1.320 60.596 62.300 -0.640 0.000 0.956 607 V CB 1.467 32.861 31.823 -0.716 0.000 1.023 607 V HN -0.137 nan 8.190 nan 0.000 0.435 608 F N 1.557 121.510 119.950 0.005 0.000 2.480 608 F HA 0.507 5.034 4.527 -0.000 0.000 0.319 608 F C 2.003 177.754 175.800 -0.083 0.000 1.230 608 F CA 0.650 58.672 58.000 0.037 0.000 1.285 608 F CB 0.608 39.616 39.000 0.013 0.000 1.208 608 F HN 0.772 nan 8.300 nan 0.000 0.579 609 A N 0.721 123.647 122.820 0.177 0.000 1.948 609 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 609 A C 1.650 179.212 177.584 -0.037 0.000 1.177 609 A CA 1.957 54.033 52.037 0.065 0.000 0.636 609 A CB -0.973 18.080 19.000 0.089 0.000 0.815 609 A HN 0.797 nan 8.150 nan 0.000 0.449 610 D N -2.705 117.690 120.400 -0.008 0.000 2.319 610 D HA 0.116 4.756 4.640 -0.000 0.000 0.230 610 D C 0.588 176.883 176.300 -0.007 0.000 1.094 610 D CA 0.001 53.969 54.000 -0.053 0.000 0.856 610 D CB -0.210 40.557 40.800 -0.056 0.000 0.915 610 D HN 0.209 nan 8.370 nan 0.000 0.517 611 R N -1.500 119.002 120.500 0.004 0.000 3.936 611 R HA -0.124 4.216 4.340 -0.000 0.000 0.366 611 R C -0.470 175.849 176.300 0.032 0.000 1.158 611 R CA 1.066 57.161 56.100 -0.007 0.000 0.969 611 R CB -3.212 27.119 30.300 0.052 0.000 1.504 611 R HN 0.249 nan 8.270 nan 0.000 0.538 612 T N 2.113 116.726 114.554 0.098 0.000 2.870 612 T HA 0.334 4.684 4.350 -0.000 0.000 0.300 612 T C -2.263 172.568 174.700 0.217 0.000 0.989 612 T CA -0.939 61.246 62.100 0.143 0.000 1.139 612 T CB 1.067 70.001 68.868 0.109 0.000 0.920 612 T HN -0.092 nan 8.240 nan 0.000 0.537 613 P HA 0.091 nan 4.420 nan 0.000 0.268 613 P C 0.116 177.480 177.300 0.106 0.000 1.205 613 P CA -0.130 63.003 63.100 0.055 0.000 0.771 613 P CB 0.330 32.056 31.700 0.043 0.000 0.858 614 H N 3.559 122.483 119.070 -0.244 0.000 2.607 614 H HA 0.058 4.614 4.556 -0.000 0.000 0.367 614 H C -1.277 173.972 175.328 -0.131 0.000 1.181 614 H CA -1.608 54.283 56.048 -0.261 0.000 1.402 614 H CB 0.269 29.819 29.762 -0.352 0.000 1.474 614 H HN 0.348 nan 8.280 nan 0.000 0.596 615 P HA -0.197 nan 4.420 nan 0.000 0.217 615 P C 1.241 178.547 177.300 0.010 0.000 1.148 615 P CA 1.673 64.767 63.100 -0.009 0.000 0.828 615 P CB 0.038 31.734 31.700 -0.008 0.000 0.783 616 A N -0.739 122.091 122.820 0.016 0.000 1.978 616 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 616 A C 2.092 179.625 177.584 -0.085 0.000 1.170 616 A CA 1.414 53.417 52.037 -0.057 0.000 0.636 616 A CB -1.611 17.326 19.000 -0.105 0.000 0.810 616 A HN 0.166 nan 8.150 nan 0.000 0.448 617 L N -0.591 120.609 121.223 -0.039 0.000 2.042 617 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 617 L C 2.584 179.498 176.870 0.074 0.000 1.076 617 L CA 2.728 57.579 54.840 0.019 0.000 0.749 617 L CB -0.972 41.108 42.059 0.035 0.000 0.893 617 L HN 0.405 nan 8.230 nan 0.000 0.432 618 T N -1.757 112.848 114.554 0.086 0.000 2.867 618 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 618 T C 1.814 176.628 174.700 0.190 0.000 1.057 618 T CA 1.427 63.635 62.100 0.180 0.000 1.136 618 T CB -0.104 68.853 68.868 0.148 0.000 0.874 618 T HN 0.452 nan 8.240 nan 0.000 0.466 619 E N 0.753 121.002 120.200 0.081 0.000 2.077 619 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 619 E C 2.189 178.790 176.600 0.003 0.000 0.989 619 E CA 1.389 57.832 56.400 0.072 0.000 0.800 619 E CB -0.607 29.104 29.700 0.017 0.000 0.746 619 E HN 0.544 nan 8.360 nan 0.000 0.452 620 A N 1.007 123.713 122.820 -0.191 0.000 1.877 620 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 620 A C 2.171 179.643 177.584 -0.187 0.000 1.186 620 A CA 1.983 53.858 52.037 -0.270 0.000 0.620 620 A CB -0.665 18.168 19.000 -0.277 0.000 0.822 620 A HN 0.265 nan 8.150 nan 0.000 0.443 621 K N -1.246 119.109 120.400 -0.074 0.000 2.032 621 K HA -0.300 4.020 4.320 -0.000 0.000 0.209 621 K C 2.076 178.557 176.600 -0.199 0.000 1.048 621 K CA 2.114 58.369 56.287 -0.052 0.000 0.927 621 K CB -0.379 32.245 32.500 0.206 0.000 0.712 621 K HN 0.656 nan 8.250 nan 0.000 0.441 622 H N 0.290 119.167 119.070 -0.322 0.000 2.321 622 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 622 H C 1.969 177.018 175.328 -0.465 0.000 1.087 622 H CA 1.892 57.552 56.048 -0.647 0.000 1.319 622 H CB 0.100 29.527 29.762 -0.559 0.000 1.379 622 H HN 0.250 nan 8.280 nan 0.000 0.501 623 Q N 0.109 119.665 119.800 -0.407 0.000 2.297 623 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 623 Q C 1.514 176.941 176.000 -0.955 0.000 0.962 623 Q CA 1.104 56.588 55.803 -0.531 0.000 0.879 623 Q CB 0.138 28.759 28.738 -0.194 0.000 0.947 623 Q HN 0.708 nan 8.270 nan 0.000 0.462 624 Q N 0.080 119.293 119.800 -0.979 0.000 2.320 624 Q HA 0.087 4.427 4.340 -0.000 0.000 0.201 624 Q C -0.174 175.241 176.000 -0.975 0.000 0.910 624 Q CA -0.216 54.843 55.803 -1.240 0.000 0.946 624 Q CB 0.424 28.510 28.738 -1.086 0.000 1.062 624 Q HN 0.366 nan 8.270 nan 0.000 0.503 625 Q N -0.313 119.065 119.800 -0.702 0.000 2.369 625 Q HA -0.058 4.282 4.340 -0.000 0.000 0.295 625 Q C -0.150 175.490 176.000 -0.600 0.000 1.075 625 Q CA 0.432 55.954 55.803 -0.468 0.000 0.941 625 Q CB 0.425 28.977 28.738 -0.311 0.000 1.260 625 Q HN 0.308 nan 8.270 nan 0.000 0.417 626 F N 0.515 120.215 119.950 -0.417 0.000 2.765 626 F HA 0.201 4.728 4.527 -0.000 0.000 0.302 626 F C -0.090 175.166 175.800 -0.906 0.000 1.111 626 F CA 0.002 57.529 58.000 -0.788 0.000 1.359 626 F CB 0.503 38.702 39.000 -1.336 0.000 1.097 626 F HN 0.325 nan 8.300 nan 0.000 0.577 627 F N 0.518 120.382 119.950 -0.143 0.000 2.493 627 F HA 0.462 4.989 4.527 -0.000 0.000 0.329 627 F C -0.028 175.424 175.800 -0.581 0.000 1.126 627 F CA -1.104 56.709 58.000 -0.310 0.000 0.937 627 F CB 1.198 40.053 39.000 -0.242 0.000 1.146 627 F HN -0.309 nan 8.300 nan 0.000 0.442 628 Q N 3.197 122.751 119.800 -0.411 0.000 2.266 628 Q HA 0.560 4.900 4.340 -0.000 0.000 0.261 628 Q C -1.267 174.444 176.000 -0.482 0.000 0.985 628 Q CA -0.629 54.957 55.803 -0.362 0.000 0.873 628 Q CB 2.668 31.324 28.738 -0.137 0.000 1.306 628 Q HN 0.535 nan 8.270 nan 0.000 0.447 629 F N 0.304 120.382 119.950 0.214 0.000 2.551 629 F HA 0.588 5.115 4.527 -0.000 0.000 0.316 629 F C 0.390 176.417 175.800 0.377 0.000 1.089 629 F CA -0.820 57.383 58.000 0.338 0.000 0.915 629 F CB 2.022 41.347 39.000 0.542 0.000 1.186 629 F HN 0.108 nan 8.300 nan 0.000 0.456 630 R N 1.889 122.656 120.500 0.446 0.000 2.673 630 R HA 0.644 4.984 4.340 -0.000 0.000 0.281 630 R C -1.971 174.324 176.300 -0.007 0.000 0.991 630 R CA -1.220 55.048 56.100 0.280 0.000 0.896 630 R CB 2.955 33.346 30.300 0.152 0.000 1.201 630 R HN 0.568 nan 8.270 nan 0.000 0.457 631 L N 1.278 122.355 121.223 -0.243 0.000 2.305 631 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 631 L C -0.779 175.924 176.870 -0.278 0.000 1.013 631 L CA 0.137 54.651 54.840 -0.543 0.000 0.819 631 L CB 1.939 43.243 42.059 -1.259 0.000 1.227 631 L HN 0.523 nan 8.230 nan 0.000 0.417 632 S N 4.115 119.687 115.700 -0.214 0.000 2.653 632 S HA 0.636 5.106 4.470 -0.000 0.000 0.272 632 S C 0.705 175.217 174.600 -0.146 0.000 1.221 632 S CA 0.183 58.300 58.200 -0.138 0.000 1.149 632 S CB 0.054 63.203 63.200 -0.085 0.000 1.029 632 S HN 1.383 nan 8.310 nan 0.000 0.481 633 G N 4.550 113.261 108.800 -0.148 0.000 3.099 633 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.331 633 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.331 633 G C 0.773 175.571 174.900 -0.170 0.000 1.216 633 G CA 1.196 46.215 45.100 -0.136 0.000 0.977 633 G HN 0.666 nan 8.290 nan 0.000 0.600 634 Q N 0.665 120.372 119.800 -0.156 0.000 2.378 634 Q HA 0.329 4.669 4.340 -0.000 0.000 0.216 634 Q C 0.902 176.780 176.000 -0.202 0.000 0.892 634 Q CA 1.181 56.878 55.803 -0.177 0.000 0.931 634 Q CB 0.484 29.139 28.738 -0.138 0.000 1.086 634 Q HN 0.604 nan 8.270 nan 0.000 0.528 635 T N 0.700 115.148 114.554 -0.177 0.000 2.767 635 T HA 0.474 4.824 4.350 -0.000 0.000 0.288 635 T C -0.108 174.481 174.700 -0.186 0.000 0.963 635 T CA -0.384 61.623 62.100 -0.154 0.000 1.019 635 T CB 0.902 69.710 68.868 -0.100 0.000 0.923 635 T HN 0.075 nan 8.240 nan 0.000 0.468 636 I N 2.810 123.283 120.570 -0.163 0.000 2.331 636 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 636 I C 0.707 176.827 176.117 0.005 0.000 0.998 636 I CA -0.442 60.788 61.300 -0.117 0.000 1.267 636 I CB 0.982 38.939 38.000 -0.073 0.000 1.386 636 I HN 0.582 nan 8.210 nan 0.000 0.476 637 E N 6.601 126.830 120.200 0.048 0.000 2.109 637 E HA 0.381 4.731 4.350 -0.000 0.000 0.278 637 E C -1.415 175.276 176.600 0.153 0.000 0.954 637 E CA -0.586 55.862 56.400 0.081 0.000 0.779 637 E CB 1.391 31.123 29.700 0.053 0.000 1.093 637 E HN 0.351 nan 8.360 nan 0.000 0.401 638 V N 4.425 124.416 119.914 0.128 0.000 2.370 638 V HA 0.285 4.405 4.120 -0.000 0.000 0.283 638 V C -0.012 176.113 176.094 0.052 0.000 1.023 638 V CA -0.558 61.790 62.300 0.080 0.000 0.857 638 V CB 1.587 33.487 31.823 0.128 0.000 0.985 638 V HN 0.679 nan 8.190 nan 0.000 0.443 639 T N 3.360 117.908 114.554 -0.010 0.000 2.797 639 T HA 0.351 4.701 4.350 -0.000 0.000 0.279 639 T C 0.013 174.730 174.700 0.029 0.000 0.991 639 T CA -0.285 61.822 62.100 0.013 0.000 0.979 639 T CB 1.566 70.420 68.868 -0.024 0.000 0.943 639 T HN 0.658 nan 8.240 nan 0.000 0.444 640 S N 1.688 117.420 115.700 0.053 0.000 2.525 640 S HA 0.215 4.685 4.470 -0.000 0.000 0.278 640 S C 0.757 175.256 174.600 -0.169 0.000 1.234 640 S CA -0.590 57.574 58.200 -0.060 0.000 1.058 640 S CB 0.575 63.821 63.200 0.077 0.000 0.983 640 S HN 0.716 nan 8.310 nan 0.000 0.495 641 E N 2.991 122.995 120.200 -0.327 0.000 2.476 641 E HA 0.086 4.436 4.350 -0.000 0.000 0.196 641 E C -0.748 175.694 176.600 -0.263 0.000 1.029 641 E CA -0.119 56.118 56.400 -0.272 0.000 0.896 641 E CB 0.276 29.799 29.700 -0.295 0.000 1.012 641 E HN 0.697 nan 8.360 nan 0.000 0.475 642 Y N 0.545 120.737 120.300 -0.179 0.000 2.497 642 Y HA -0.037 4.513 4.550 -0.000 0.000 0.334 642 Y C 1.512 177.233 175.900 -0.298 0.000 1.199 642 Y CA 0.038 58.012 58.100 -0.210 0.000 1.425 642 Y CB 0.709 39.019 38.460 -0.250 0.000 1.291 642 Y HN -0.012 nan 8.280 nan 0.000 0.562 643 L N 1.451 122.491 121.223 -0.305 0.000 2.354 643 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 643 L C 0.642 177.013 176.870 -0.832 0.000 1.091 643 L CA 0.705 55.096 54.840 -0.747 0.000 0.828 643 L CB -0.034 41.248 42.059 -1.295 0.000 0.973 643 L HN 0.651 nan 8.230 nan 0.000 0.461 644 F N -0.621 119.317 119.950 -0.020 0.000 2.496 644 F HA 0.200 4.727 4.527 -0.000 0.000 0.274 644 F C 1.250 177.005 175.800 -0.075 0.000 0.924 644 F CA -0.864 57.100 58.000 -0.060 0.000 1.147 644 F CB 0.109 39.065 39.000 -0.073 0.000 0.969 644 F HN -0.194 nan 8.300 nan 0.000 0.749 645 R N 1.650 122.173 120.500 0.038 0.000 2.490 645 R HA 0.269 4.609 4.340 -0.000 0.000 0.278 645 R C -0.551 175.682 176.300 -0.113 0.000 1.069 645 R CA -0.356 55.706 56.100 -0.063 0.000 1.080 645 R CB 0.324 30.474 30.300 -0.250 0.000 1.030 645 R HN 0.204 nan 8.270 nan 0.000 0.491 646 H N 0.668 119.711 119.070 -0.044 0.000 2.508 646 H HA 0.050 4.606 4.556 -0.000 0.000 0.358 646 H C 0.251 175.585 175.328 0.011 0.000 1.212 646 H CA 0.011 56.067 56.048 0.013 0.000 1.356 646 H CB 1.589 31.369 29.762 0.030 0.000 1.525 646 H HN 0.796 nan 8.280 nan 0.000 0.578 647 S N 0.849 116.685 115.700 0.226 0.000 4.069 647 S HA -0.063 4.407 4.470 -0.000 0.000 0.192 647 S C 0.579 175.276 174.600 0.163 0.000 1.441 647 S CA -0.591 57.755 58.200 0.244 0.000 0.994 647 S CB -0.683 62.732 63.200 0.359 0.000 1.456 647 S HN 0.612 nan 8.310 nan 0.000 0.458 648 D N 0.940 121.409 120.400 0.114 0.000 2.349 648 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 648 D C 0.419 176.758 176.300 0.065 0.000 1.029 648 D CA 0.065 54.111 54.000 0.078 0.000 0.879 648 D CB -0.297 40.533 40.800 0.050 0.000 0.906 648 D HN 0.516 nan 8.370 nan 0.000 0.528 649 N N 0.031 118.782 118.700 0.086 0.000 2.646 649 N HA 0.164 4.904 4.740 -0.000 0.000 0.303 649 N C -1.562 174.019 175.510 0.119 0.000 1.921 649 N CA -0.253 52.846 53.050 0.082 0.000 0.872 649 N CB 0.340 38.864 38.487 0.060 0.000 1.327 649 N HN -0.077 nan 8.380 nan 0.000 0.492 650 E N -0.095 120.173 120.200 0.112 0.000 2.290 650 E HA 0.492 4.842 4.350 -0.000 0.000 0.274 650 E C -1.773 174.876 176.600 0.082 0.000 0.889 650 E CA -0.633 55.831 56.400 0.108 0.000 0.760 650 E CB 2.398 32.146 29.700 0.079 0.000 1.206 650 E HN 0.197 nan 8.360 nan 0.000 0.419 651 L N 2.933 124.223 121.223 0.111 0.000 2.401 651 L HA 0.607 4.947 4.340 -0.000 0.000 0.266 651 L C -1.849 175.127 176.870 0.176 0.000 0.991 651 L CA -0.888 54.026 54.840 0.123 0.000 0.818 651 L CB 1.664 43.810 42.059 0.146 0.000 1.321 651 L HN 0.598 nan 8.230 nan 0.000 0.413 652 L N 4.710 126.020 121.223 0.145 0.000 2.257 652 L HA 0.443 4.783 4.340 -0.000 0.000 0.290 652 L C -0.710 176.281 176.870 0.200 0.000 1.044 652 L CA 0.133 55.096 54.840 0.206 0.000 0.810 652 L CB 0.291 42.472 42.059 0.203 0.000 1.193 652 L HN 0.551 nan 8.230 nan 0.000 0.425 653 H N 5.931 125.079 119.070 0.130 0.000 2.517 653 H HA 0.277 4.833 4.556 -0.000 0.000 0.317 653 H C -1.102 174.325 175.328 0.166 0.000 1.080 653 H CA -0.394 55.700 56.048 0.076 0.000 1.301 653 H CB 0.804 30.578 29.762 0.021 0.000 1.425 653 H HN 0.686 nan 8.280 nan 0.000 0.471 654 W N 3.857 125.225 121.300 0.114 0.000 2.761 654 W HA 0.545 5.205 4.660 -0.000 0.000 0.340 654 W C -1.640 174.933 176.519 0.091 0.000 1.072 654 W CA -1.302 56.105 57.345 0.104 0.000 1.215 654 W CB 1.508 31.015 29.460 0.078 0.000 1.420 654 W HN 0.419 nan 8.180 nan 0.000 0.519 655 M N 3.648 123.458 119.600 0.349 0.000 2.277 655 M HA 0.501 4.981 4.480 -0.000 0.000 0.282 655 M C -2.457 174.041 176.300 0.331 0.000 1.074 655 M CA -0.404 54.997 55.300 0.168 0.000 0.954 655 M CB 1.943 34.576 32.600 0.054 0.000 1.672 655 M HN 0.205 nan 8.290 nan 0.000 0.471 656 V N 4.331 124.439 119.914 0.325 0.000 2.417 656 V HA 0.995 5.115 4.120 -0.000 0.000 0.291 656 V C -0.244 175.962 176.094 0.187 0.000 1.024 656 V CA -0.267 62.208 62.300 0.292 0.000 0.861 656 V CB 1.049 33.063 31.823 0.318 0.000 0.985 656 V HN 1.021 nan 8.190 nan 0.000 0.436 657 A N 4.652 127.588 122.820 0.193 0.000 2.454 657 A HA 0.909 5.229 4.320 -0.000 0.000 0.302 657 A C -1.410 176.287 177.584 0.188 0.000 1.079 657 A CA -0.653 51.469 52.037 0.142 0.000 0.731 657 A CB 1.734 20.781 19.000 0.078 0.000 1.299 657 A HN 0.798 nan 8.150 nan 0.000 0.413 658 L N 1.450 122.756 121.223 0.137 0.000 2.276 658 L HA 0.509 4.849 4.340 -0.000 0.000 0.286 658 L C -0.641 176.320 176.870 0.152 0.000 1.024 658 L CA 0.217 55.148 54.840 0.153 0.000 0.826 658 L CB 0.480 42.599 42.059 0.099 0.000 1.211 658 L HN 0.761 nan 8.230 nan 0.000 0.422 659 D N 4.857 125.406 120.400 0.249 0.000 2.704 659 D HA -0.210 4.430 4.640 -0.000 0.000 0.232 659 D C 1.211 177.550 176.300 0.065 0.000 1.183 659 D CA 1.521 55.664 54.000 0.239 0.000 0.647 659 D CB -1.003 39.905 40.800 0.180 0.000 1.013 659 D HN 1.156 nan 8.370 nan 0.000 0.415 660 G N -0.660 108.143 108.800 0.005 0.000 2.205 660 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.261 660 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.261 660 G C 0.328 175.149 174.900 -0.133 0.000 0.980 660 G CA 0.579 45.573 45.100 -0.177 0.000 0.632 660 G HN 0.497 nan 8.290 nan 0.000 0.533 661 K N 2.355 122.727 120.400 -0.047 0.000 2.284 661 K HA 0.421 4.741 4.320 -0.000 0.000 0.287 661 K C -2.311 174.279 176.600 -0.016 0.000 1.081 661 K CA -1.662 54.602 56.287 -0.038 0.000 0.910 661 K CB 1.491 33.986 32.500 -0.010 0.000 1.088 661 K HN 0.138 nan 8.250 nan 0.000 0.478 662 P HA -0.011 nan 4.420 nan 0.000 0.267 662 P C -0.209 177.092 177.300 0.001 0.000 1.205 662 P CA 0.180 63.267 63.100 -0.022 0.000 0.765 662 P CB 0.908 32.576 31.700 -0.054 0.000 0.828 663 L N 1.741 122.982 121.223 0.029 0.000 2.600 663 L HA 0.414 4.754 4.340 -0.000 0.000 0.213 663 L C 0.991 177.887 176.870 0.045 0.000 1.045 663 L CA 0.403 55.268 54.840 0.042 0.000 0.863 663 L CB 0.118 42.218 42.059 0.068 0.000 1.189 663 L HN 0.375 nan 8.230 nan 0.000 0.484 664 A N -0.187 122.672 122.820 0.064 0.000 2.520 664 A HA 0.717 5.037 4.320 -0.000 0.000 0.298 664 A C -0.862 176.624 177.584 -0.163 0.000 1.051 664 A CA -0.246 51.817 52.037 0.043 0.000 0.690 664 A CB 1.658 20.807 19.000 0.249 0.000 1.281 664 A HN 0.084 nan 8.150 nan 0.000 0.402 665 S N 0.245 115.650 115.700 -0.491 0.000 2.550 665 S HA 0.943 5.413 4.470 -0.000 0.000 0.270 665 S C -0.223 173.662 174.600 -1.193 0.000 1.145 665 S CA -0.111 57.523 58.200 -0.943 0.000 0.852 665 S CB 1.479 64.408 63.200 -0.451 0.000 1.119 665 S HN 2.319 nan 8.310 nan 0.000 0.465 666 G N 0.346 108.112 108.800 -1.723 0.000 2.663 666 G HA2 0.752 4.712 3.960 -0.000 0.000 0.299 666 G HA3 0.752 4.712 3.960 -0.000 0.000 0.299 666 G C -2.011 172.473 174.900 -0.693 0.000 1.372 666 G CA -0.795 43.726 45.100 -0.966 0.000 0.781 666 G HN 1.090 nan 8.290 nan 0.000 0.491 667 E N -1.555 118.483 120.200 -0.271 0.000 2.343 667 E HA 0.631 4.981 4.350 -0.000 0.000 0.278 667 E C -1.869 174.733 176.600 0.003 0.000 0.910 667 E CA -0.935 55.339 56.400 -0.212 0.000 0.757 667 E CB 2.579 31.967 29.700 -0.519 0.000 1.218 667 E HN 0.400 nan 8.360 nan 0.000 0.435 668 V N 2.410 122.363 119.914 0.065 0.000 2.638 668 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 668 V C -2.444 173.688 176.094 0.064 0.000 1.052 668 V CA -2.106 60.247 62.300 0.087 0.000 0.885 668 V CB 1.919 33.822 31.823 0.134 0.000 0.999 668 V HN 0.687 nan 8.190 nan 0.000 0.424 669 P HA 0.188 nan 4.420 nan 0.000 0.268 669 P C -0.640 176.695 177.300 0.059 0.000 1.204 669 P CA 0.057 63.188 63.100 0.051 0.000 0.768 669 P CB 0.480 32.206 31.700 0.044 0.000 0.842 670 L N 3.561 124.816 121.223 0.054 0.000 2.276 670 L HA 0.304 4.644 4.340 -0.000 0.000 0.286 670 L C 0.458 177.376 176.870 0.079 0.000 1.061 670 L CA 0.145 55.015 54.840 0.049 0.000 0.807 670 L CB 0.718 42.762 42.059 -0.026 0.000 1.177 670 L HN 0.317 nan 8.230 nan 0.000 0.429 671 D N 3.412 123.870 120.400 0.096 0.000 2.443 671 D HA 0.312 4.952 4.640 -0.000 0.000 0.281 671 D C -1.186 175.204 176.300 0.150 0.000 1.210 671 D CA -0.146 53.926 54.000 0.121 0.000 0.875 671 D CB 1.017 41.872 40.800 0.092 0.000 1.125 671 D HN 0.023 nan 8.370 nan 0.000 0.503 672 V N 1.671 121.700 119.914 0.191 0.000 2.448 672 V HA 0.805 4.925 4.120 -0.000 0.000 0.295 672 V C 0.817 177.003 176.094 0.152 0.000 1.025 672 V CA -1.184 61.229 62.300 0.188 0.000 0.859 672 V CB 1.291 33.268 31.823 0.257 0.000 0.988 672 V HN 0.543 nan 8.190 nan 0.000 0.431 673 A N 7.146 130.005 122.820 0.065 0.000 2.366 673 A HA 0.654 4.974 4.320 -0.000 0.000 0.249 673 A C -2.240 175.217 177.584 -0.212 0.000 1.084 673 A CA -1.385 50.513 52.037 -0.231 0.000 0.794 673 A CB -0.162 18.785 19.000 -0.088 0.000 1.034 673 A HN 0.671 nan 8.150 nan 0.000 0.491 674 P HA 0.009 nan 4.420 nan 0.000 0.261 674 P C -0.456 176.770 177.300 -0.122 0.000 1.183 674 P CA 0.635 63.629 63.100 -0.176 0.000 0.761 674 P CB 0.655 32.230 31.700 -0.207 0.000 0.785 675 Q N -0.869 118.877 119.800 -0.090 0.000 2.362 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.220 675 Q C 0.776 176.752 176.000 -0.040 0.000 0.713 675 Q CA 1.833 57.591 55.803 -0.075 0.000 1.345 675 Q CB -2.466 26.222 28.738 -0.084 0.000 1.570 675 Q HN 0.758 nan 8.270 nan 0.000 0.701 676 G N 0.106 108.893 108.800 -0.023 0.000 2.537 676 G HA2 0.576 4.536 3.960 -0.000 0.000 0.297 676 G HA3 0.576 4.536 3.960 -0.000 0.000 0.297 676 G C -0.232 174.688 174.900 0.033 0.000 1.310 676 G CA -0.505 44.599 45.100 0.008 0.000 1.027 676 G HN -0.006 nan 8.290 nan 0.000 0.505 677 K N -0.814 119.612 120.400 0.044 0.000 2.443 677 K HA 0.492 4.811 4.320 -0.000 0.000 0.251 677 K C -1.077 175.562 176.600 0.065 0.000 0.972 677 K CA -0.652 55.666 56.287 0.053 0.000 0.833 677 K CB 2.621 35.142 32.500 0.035 0.000 1.317 677 K HN 0.512 nan 8.250 nan 0.000 0.441 678 Q N 2.431 122.273 119.800 0.071 0.000 2.289 678 Q HA 0.364 4.704 4.340 -0.000 0.000 0.270 678 Q C -1.700 174.335 176.000 0.057 0.000 1.038 678 Q CA -0.628 55.215 55.803 0.067 0.000 0.812 678 Q CB 1.472 30.259 28.738 0.083 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.131 126.377 121.223 0.038 0.000 2.264 679 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 679 L C -0.403 176.474 176.870 0.012 0.000 1.044 679 L CA -0.520 54.332 54.840 0.019 0.000 0.807 679 L CB 1.059 43.120 42.059 0.003 0.000 1.192 679 L HN 0.564 nan 8.230 nan 0.000 0.425 680 I N 2.850 123.420 120.570 -0.000 0.000 2.382 680 I HA 0.202 4.372 4.170 -0.000 0.000 0.286 680 I C -0.140 175.928 176.117 -0.083 0.000 1.002 680 I CA -0.520 60.768 61.300 -0.020 0.000 1.135 680 I CB 1.960 39.966 38.000 0.010 0.000 1.288 680 I HN 0.539 nan 8.210 nan 0.000 0.448 681 E N 6.987 127.138 120.200 -0.083 0.000 2.105 681 E HA 0.350 4.700 4.350 -0.000 0.000 0.285 681 E C -0.873 175.620 176.600 -0.180 0.000 1.055 681 E CA -0.320 56.009 56.400 -0.118 0.000 0.843 681 E CB 0.692 30.347 29.700 -0.075 0.000 1.067 681 E HN 0.427 nan 8.360 nan 0.000 0.398 682 L N 7.073 128.126 121.223 -0.284 0.000 2.456 682 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 682 L C -1.594 175.110 176.870 -0.276 0.000 1.189 682 L CA -1.626 52.945 54.840 -0.447 0.000 0.846 682 L CB 0.262 41.966 42.059 -0.592 0.000 1.111 682 L HN 0.554 nan 8.230 nan 0.000 0.475 683 P HA -0.011 nan 4.420 nan 0.000 0.275 683 P C -0.706 176.551 177.300 -0.073 0.000 1.266 683 P CA -0.579 62.477 63.100 -0.073 0.000 0.793 683 P CB 0.433 32.162 31.700 0.048 0.000 1.074 684 E N 0.558 120.743 120.200 -0.025 0.000 2.491 684 E HA 0.048 4.398 4.350 -0.000 0.000 0.250 684 E C -0.590 176.016 176.600 0.010 0.000 1.061 684 E CA -0.095 56.294 56.400 -0.017 0.000 0.942 684 E CB -0.392 29.305 29.700 -0.004 0.000 0.957 684 E HN 0.262 nan 8.360 nan 0.000 0.480 685 L N 7.947 129.167 121.223 -0.005 0.000 2.290 685 L HA 0.352 4.692 4.340 -0.000 0.000 0.284 685 L C -1.761 175.128 176.870 0.032 0.000 1.078 685 L CA -2.153 52.707 54.840 0.034 0.000 0.815 685 L CB 0.684 42.753 42.059 0.016 0.000 1.162 685 L HN 0.507 nan 8.230 nan 0.000 0.435 686 P HA 0.041 nan 4.420 nan 0.000 0.268 686 P C -1.205 176.113 177.300 0.030 0.000 1.205 686 P CA -0.345 62.777 63.100 0.036 0.000 0.771 686 P CB 0.692 32.417 31.700 0.042 0.000 0.858 687 Q N 3.290 123.102 119.800 0.020 0.000 2.431 687 Q HA 0.363 4.703 4.340 -0.000 0.000 0.249 687 Q C -1.940 174.071 176.000 0.018 0.000 1.025 687 Q CA -1.395 54.417 55.803 0.015 0.000 0.835 687 Q CB 0.401 29.143 28.738 0.006 0.000 1.207 687 Q HN 0.389 nan 8.270 nan 0.000 0.490 688 P HA 0.188 nan 4.420 nan 0.000 0.282 688 P C -0.424 176.888 177.300 0.019 0.000 1.249 688 P CA -0.400 62.714 63.100 0.022 0.000 0.806 688 P CB 1.533 33.251 31.700 0.029 0.000 0.984 689 E N -0.210 120.001 120.200 0.018 0.000 2.435 689 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 689 E C 0.766 177.379 176.600 0.020 0.000 1.029 689 E CA 0.302 56.712 56.400 0.016 0.000 0.865 689 E CB -0.107 29.602 29.700 0.014 0.000 0.833 689 E HN 0.377 nan 8.360 nan 0.000 0.510 690 S N 0.656 116.371 115.700 0.024 0.000 2.537 690 S HA 0.303 4.773 4.470 -0.000 0.000 0.286 690 S C 0.220 174.840 174.600 0.034 0.000 1.299 690 S CA -0.368 57.849 58.200 0.029 0.000 1.067 690 S CB 0.261 63.479 63.200 0.031 0.000 0.864 690 S HN 0.274 nan 8.310 nan 0.000 0.494 691 A N 4.014 126.856 122.820 0.036 0.000 2.483 691 A HA 0.632 4.952 4.320 -0.000 0.000 0.238 691 A C 0.989 178.605 177.584 0.053 0.000 1.070 691 A CA 0.416 52.477 52.037 0.041 0.000 0.770 691 A CB -0.596 18.430 19.000 0.043 0.000 1.008 691 A HN 1.844 nan 8.150 nan 0.000 0.497 692 G N -0.149 108.684 108.800 0.054 0.000 2.369 692 G HA2 0.438 4.398 3.960 -0.000 0.000 0.307 692 G HA3 0.438 4.398 3.960 -0.000 0.000 0.307 692 G C -1.154 173.780 174.900 0.057 0.000 1.327 692 G CA -0.256 44.890 45.100 0.076 0.000 0.963 692 G HN 1.134 nan 8.290 nan 0.000 0.590 693 Q N -0.243 119.607 119.800 0.084 0.000 2.290 693 Q HA 0.720 5.060 4.340 -0.000 0.000 0.259 693 Q C -0.289 175.751 176.000 0.066 0.000 0.941 693 Q CA -0.539 55.268 55.803 0.006 0.000 0.912 693 Q CB 1.260 29.966 28.738 -0.054 0.000 1.244 693 Q HN 0.562 nan 8.270 nan 0.000 0.441 694 L N 4.434 125.637 121.223 -0.033 0.000 2.331 694 L HA 0.392 4.731 4.340 -0.000 0.000 0.278 694 L C -0.797 176.040 176.870 -0.055 0.000 1.106 694 L CA -0.242 54.618 54.840 0.034 0.000 0.824 694 L CB 0.608 42.677 42.059 0.017 0.000 1.142 694 L HN 0.670 nan 8.230 nan 0.000 0.443 695 W N 4.824 126.170 121.300 0.077 0.000 2.600 695 W HA 0.459 5.119 4.660 -0.000 0.000 0.325 695 W C -0.685 175.929 176.519 0.159 0.000 1.034 695 W CA -0.557 56.854 57.345 0.110 0.000 1.226 695 W CB 1.696 31.232 29.460 0.127 0.000 1.379 695 W HN 0.160 nan 8.180 nan 0.000 0.466 696 L N 4.214 125.689 121.223 0.421 0.000 2.275 696 L HA 0.677 5.017 4.340 -0.000 0.000 0.288 696 L C -0.208 176.954 176.870 0.485 0.000 1.046 696 L CA 0.352 55.444 54.840 0.420 0.000 0.805 696 L CB 0.978 43.252 42.059 0.359 0.000 1.193 696 L HN 0.278 nan 8.230 nan 0.000 0.426 697 T N 5.393 120.181 114.554 0.391 0.000 2.792 697 T HA 0.609 4.959 4.350 -0.000 0.000 0.280 697 T C -0.567 174.317 174.700 0.306 0.000 0.990 697 T CA -0.422 61.860 62.100 0.303 0.000 0.960 697 T CB 1.381 70.369 68.868 0.199 0.000 0.939 697 T HN 0.601 nan 8.240 nan 0.000 0.439 698 V N 2.060 122.124 119.914 0.251 0.000 2.667 698 V HA 0.933 5.053 4.120 -0.000 0.000 0.308 698 V C -0.615 175.546 176.094 0.111 0.000 1.048 698 V CA -1.269 61.146 62.300 0.192 0.000 0.928 698 V CB 1.746 33.646 31.823 0.128 0.000 1.004 698 V HN 1.008 nan 8.190 nan 0.000 0.444 699 R N 2.177 122.781 120.500 0.173 0.000 2.698 699 R HA 0.814 5.154 4.340 -0.000 0.000 0.275 699 R C -1.999 174.447 176.300 0.243 0.000 1.001 699 R CA -0.852 55.379 56.100 0.218 0.000 0.896 699 R CB 2.069 32.477 30.300 0.180 0.000 1.218 699 R HN 0.518 nan 8.270 nan 0.000 0.462 700 V N 2.816 122.904 119.914 0.291 0.000 2.406 700 V HA 0.324 4.444 4.120 -0.000 0.000 0.272 700 V C -0.205 176.013 176.094 0.208 0.000 1.043 700 V CA -0.527 61.916 62.300 0.237 0.000 0.915 700 V CB 1.392 33.336 31.823 0.201 0.000 0.988 700 V HN 0.530 nan 8.190 nan 0.000 0.466 701 V N 5.211 125.231 119.914 0.178 0.000 2.555 701 V HA 0.387 4.507 4.120 -0.000 0.000 0.302 701 V C -0.202 175.984 176.094 0.153 0.000 1.038 701 V CA -0.759 61.609 62.300 0.114 0.000 0.887 701 V CB 1.964 33.768 31.823 -0.031 0.000 0.991 701 V HN 0.890 nan 8.190 nan 0.000 0.434 702 Q N 5.365 125.259 119.800 0.157 0.000 2.377 702 Q HA 0.255 4.595 4.340 -0.000 0.000 0.249 702 Q C -1.809 174.241 176.000 0.083 0.000 1.005 702 Q CA -1.707 54.180 55.803 0.140 0.000 0.912 702 Q CB 1.705 30.541 28.738 0.163 0.000 1.223 702 Q HN 0.481 nan 8.270 nan 0.000 0.459 703 P HA -0.148 nan 4.420 nan 0.000 0.218 703 P C -0.306 177.008 177.300 0.023 0.000 1.149 703 P CA 1.158 64.293 63.100 0.057 0.000 0.817 703 P CB 0.420 32.157 31.700 0.063 0.000 0.785 704 N N -0.455 118.249 118.700 0.006 0.000 2.405 704 N HA 0.387 5.127 4.740 -0.000 0.000 0.299 704 N C -0.217 175.248 175.510 -0.074 0.000 1.075 704 N CA -0.513 52.522 53.050 -0.025 0.000 0.884 704 N CB 1.520 39.994 38.487 -0.021 0.000 1.194 704 N HN -0.092 nan 8.380 nan 0.000 0.491 705 A N 0.910 123.678 122.820 -0.087 0.000 2.466 705 A HA 0.407 4.727 4.320 -0.000 0.000 0.238 705 A C 0.814 178.276 177.584 -0.204 0.000 1.074 705 A CA 0.089 52.037 52.037 -0.149 0.000 0.774 705 A CB -0.027 18.912 19.000 -0.101 0.000 1.015 705 A HN 0.740 nan 8.150 nan 0.000 0.498 706 T N -2.658 111.688 114.554 -0.348 0.000 2.773 706 T HA 0.633 4.983 4.350 -0.000 0.000 0.278 706 T C 1.020 175.565 174.700 -0.258 0.000 1.011 706 T CA 0.018 61.893 62.100 -0.374 0.000 1.014 706 T CB 1.138 69.532 68.868 -0.791 0.000 1.293 706 T HN 1.334 nan 8.240 nan 0.000 0.554 707 A N -0.146 122.607 122.820 -0.111 0.000 2.121 707 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 707 A C 1.675 179.415 177.584 0.260 0.000 1.154 707 A CA 1.072 53.149 52.037 0.068 0.000 0.679 707 A CB -0.909 18.128 19.000 0.061 0.000 0.795 707 A HN 0.916 nan 8.150 nan 0.000 0.458 708 W N -0.929 120.443 121.300 0.121 0.000 2.870 708 W HA 0.402 5.061 4.660 -0.000 0.000 0.358 708 W C -0.112 176.398 176.519 -0.016 0.000 1.043 708 W CA 0.538 57.938 57.345 0.092 0.000 1.692 708 W CB -0.880 28.628 29.460 0.080 0.000 1.100 708 W HN 0.432 nan 8.180 nan 0.000 0.557 709 S N 0.048 115.417 115.700 -0.552 0.000 2.570 709 S HA 0.447 4.917 4.470 -0.000 0.000 0.270 709 S C -1.030 173.364 174.600 -0.343 0.000 1.149 709 S CA -0.725 57.149 58.200 -0.544 0.000 0.837 709 S CB 2.747 65.246 63.200 -1.170 0.000 1.124 709 S HN 0.106 nan 8.310 nan 0.000 0.465 710 E N 0.580 120.682 120.200 -0.164 0.000 2.314 710 E HA 0.592 4.942 4.350 -0.000 0.000 0.262 710 E C 0.250 176.815 176.600 -0.058 0.000 1.093 710 E CA -0.793 55.560 56.400 -0.077 0.000 0.908 710 E CB 1.088 30.785 29.700 -0.006 0.000 1.091 710 E HN 0.878 nan 8.360 nan 0.000 0.425 711 A N 0.712 123.509 122.820 -0.038 0.000 2.540 711 A HA 0.376 4.696 4.320 -0.000 0.000 0.239 711 A C 1.109 178.703 177.584 0.017 0.000 1.061 711 A CA 0.773 52.801 52.037 -0.014 0.000 0.758 711 A CB -0.528 18.465 19.000 -0.011 0.000 0.991 711 A HN 0.814 nan 8.150 nan 0.000 0.502 712 G N 0.724 109.543 108.800 0.032 0.000 2.157 712 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.248 712 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.248 712 G C 0.193 175.119 174.900 0.043 0.000 0.979 712 G CA 0.653 45.766 45.100 0.021 0.000 0.650 712 G HN 1.752 nan 8.290 nan 0.000 0.529 713 H N 0.560 119.628 119.070 -0.002 0.000 3.070 713 H HA 0.434 4.990 4.556 -0.000 0.000 0.313 713 H C 0.817 176.209 175.328 0.107 0.000 0.997 713 H CA 0.209 56.284 56.048 0.045 0.000 1.438 713 H CB 0.136 29.907 29.762 0.015 0.000 1.455 713 H HN 0.311 nan 8.280 nan 0.000 0.575 714 I N 4.850 125.185 120.570 -0.391 0.000 2.325 714 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 714 I C 0.996 176.982 176.117 -0.218 0.000 1.019 714 I CA 0.150 61.340 61.300 -0.183 0.000 1.302 714 I CB 1.427 39.378 38.000 -0.081 0.000 1.401 714 I HN 0.785 nan 8.210 nan 0.000 0.485 715 S N 4.168 119.972 115.700 0.174 0.000 2.506 715 S HA 0.551 5.021 4.470 -0.000 0.000 0.219 715 S C 0.462 175.336 174.600 0.456 0.000 1.031 715 S CA 0.025 58.472 58.200 0.411 0.000 0.911 715 S CB 0.606 64.171 63.200 0.609 0.000 0.812 715 S HN 0.701 nan 8.310 nan 0.000 0.497 716 A N 0.510 123.629 122.820 0.500 0.000 2.604 716 A HA 0.673 4.993 4.320 -0.000 0.000 0.295 716 A C -1.711 176.227 177.584 0.590 0.000 1.067 716 A CA -0.908 51.396 52.037 0.446 0.000 0.683 716 A CB 0.537 19.881 19.000 0.573 0.000 1.281 716 A HN 0.902 nan 8.150 nan 0.000 0.407 717 W N 0.070 121.556 121.300 0.310 0.000 3.074 717 W HA 0.824 5.484 4.660 -0.000 0.000 0.332 717 W C -1.177 175.383 176.519 0.068 0.000 1.253 717 W CA -0.676 56.729 57.345 0.100 0.000 1.180 717 W CB 1.258 30.750 29.460 0.053 0.000 1.445 717 W HN 0.938 nan 8.180 nan 0.000 0.573 718 Q N 1.065 120.867 119.800 0.003 0.000 2.527 718 Q HA 0.394 4.734 4.340 -0.000 0.000 0.280 718 Q C -1.662 174.106 176.000 -0.388 0.000 0.977 718 Q CA -0.468 55.177 55.803 -0.263 0.000 0.837 718 Q CB 2.448 30.867 28.738 -0.531 0.000 1.454 718 Q HN 0.618 nan 8.270 nan 0.000 0.387 719 Q N 1.488 120.995 119.800 -0.488 0.000 2.413 719 Q HA 0.640 4.980 4.340 -0.000 0.000 0.276 719 Q C -1.230 174.518 176.000 -0.419 0.000 1.099 719 Q CA -0.662 55.026 55.803 -0.192 0.000 0.814 719 Q CB 2.138 30.995 28.738 0.200 0.000 1.379 719 Q HN 0.604 nan 8.270 nan 0.000 0.436 720 W N 1.252 122.701 121.300 0.249 0.000 3.127 720 W HA 0.441 5.101 4.660 -0.000 0.000 0.330 720 W C -0.399 176.017 176.519 -0.173 0.000 1.187 720 W CA -0.695 56.687 57.345 0.062 0.000 1.198 720 W CB 1.547 31.017 29.460 0.018 0.000 1.408 720 W HN 0.428 nan 8.180 nan 0.000 0.529 721 R N 1.870 122.193 120.500 -0.295 0.000 2.389 721 R HA 0.392 4.732 4.340 -0.000 0.000 0.295 721 R C 0.485 176.629 176.300 -0.260 0.000 1.075 721 R CA -0.080 55.620 56.100 -0.667 0.000 1.005 721 R CB 0.946 30.798 30.300 -0.746 0.000 0.987 721 R HN 0.299 nan 8.270 nan 0.000 0.452 722 L N 1.471 122.551 121.223 -0.239 0.000 2.793 722 L HA 0.491 4.831 4.340 -0.000 0.000 0.188 722 L C 0.600 177.386 176.870 -0.139 0.000 1.949 722 L CA -1.006 53.757 54.840 -0.129 0.000 2.556 722 L CB -0.096 41.925 42.059 -0.063 0.000 2.898 722 L HN 0.580 nan 8.230 nan 0.000 0.621 723 A N 0.500 123.265 122.820 -0.090 0.000 2.511 723 A HA 0.139 4.459 4.320 -0.000 0.000 0.242 723 A C -0.225 177.310 177.584 -0.081 0.000 1.069 723 A CA 0.218 52.211 52.037 -0.074 0.000 0.763 723 A CB -0.071 18.902 19.000 -0.044 0.000 1.001 723 A HN 0.590 nan 8.150 nan 0.000 0.498 724 E N 1.731 121.886 120.200 -0.074 0.000 2.183 724 E HA 0.287 4.637 4.350 -0.000 0.000 0.271 724 E C -1.184 175.401 176.600 -0.025 0.000 0.919 724 E CA -0.706 55.660 56.400 -0.058 0.000 0.781 724 E CB 0.735 30.391 29.700 -0.073 0.000 1.140 724 E HN 0.703 nan 8.360 nan 0.000 0.402 725 N N 5.027 123.723 118.700 -0.007 0.000 2.511 725 N HA 0.249 4.989 4.740 -0.000 0.000 0.249 725 N C -0.617 174.903 175.510 0.016 0.000 0.971 725 N CA -0.332 52.721 53.050 0.005 0.000 0.938 725 N CB 1.121 39.615 38.487 0.011 0.000 1.131 725 N HN 0.475 nan 8.380 nan 0.000 0.505 726 L N 0.970 122.202 121.223 0.015 0.000 2.455 726 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 726 L C 1.308 178.196 176.870 0.029 0.000 1.174 726 L CA 0.039 54.894 54.840 0.024 0.000 0.869 726 L CB 0.506 42.578 42.059 0.022 0.000 1.130 726 L HN 0.381 nan 8.230 nan 0.000 0.474 727 S N 2.191 117.914 115.700 0.038 0.000 2.488 727 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 727 S C 0.716 175.337 174.600 0.035 0.000 1.259 727 S CA -0.737 57.487 58.200 0.039 0.000 1.061 727 S CB 0.654 63.883 63.200 0.048 0.000 0.910 727 S HN 0.474 nan 8.310 nan 0.000 0.491 728 V N 2.320 122.252 119.914 0.030 0.000 3.556 728 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 728 V C 0.783 176.893 176.094 0.027 0.000 1.422 728 V CA 0.236 62.552 62.300 0.027 0.000 1.038 728 V CB -0.773 31.063 31.823 0.022 0.000 0.850 728 V HN 0.862 nan 8.190 nan 0.000 0.437 729 T N 1.101 115.672 114.554 0.028 0.000 2.814 729 T HA 0.612 4.962 4.350 -0.000 0.000 0.297 729 T C -0.274 174.444 174.700 0.030 0.000 0.956 729 T CA -0.311 61.806 62.100 0.027 0.000 1.123 729 T CB 1.110 69.995 68.868 0.027 0.000 0.902 729 T HN 0.181 nan 8.240 nan 0.000 0.528 730 L N 5.462 126.701 121.223 0.027 0.000 2.416 730 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 730 L C -1.160 175.728 176.870 0.030 0.000 1.161 730 L CA -1.181 53.676 54.840 0.028 0.000 0.845 730 L CB -0.432 41.642 42.059 0.024 0.000 1.119 730 L HN 0.633 nan 8.230 nan 0.000 0.464 731 P HA 0.192 nan 4.420 nan 0.000 0.272 731 P C -0.931 176.389 177.300 0.033 0.000 1.223 731 P CA -0.639 62.482 63.100 0.035 0.000 0.784 731 P CB 0.684 32.408 31.700 0.040 0.000 0.923 732 A N 2.080 124.920 122.820 0.034 0.000 2.522 732 A HA 0.411 4.731 4.320 -0.000 0.000 0.256 732 A C 0.824 178.431 177.584 0.038 0.000 1.086 732 A CA -0.040 52.018 52.037 0.034 0.000 0.763 732 A CB -0.705 18.315 19.000 0.033 0.000 1.024 732 A HN 0.710 nan 8.150 nan 0.000 0.502 733 A N 3.755 126.598 122.820 0.038 0.000 2.520 733 A HA 0.482 4.802 4.320 -0.000 0.000 0.245 733 A C 0.973 178.590 177.584 0.056 0.000 1.072 733 A CA 0.371 52.432 52.037 0.041 0.000 0.761 733 A CB -0.324 18.699 19.000 0.039 0.000 1.004 733 A HN 1.731 nan 8.150 nan 0.000 0.499 734 S N 1.776 117.509 115.700 0.055 0.000 2.586 734 S HA 0.259 4.729 4.470 -0.000 0.000 0.274 734 S C 0.825 175.483 174.600 0.097 0.000 1.281 734 S CA -0.291 57.954 58.200 0.075 0.000 1.035 734 S CB 0.903 64.139 63.200 0.059 0.000 0.962 734 S HN 0.799 nan 8.310 nan 0.000 0.512 735 H N 1.724 120.807 119.070 0.020 0.000 2.431 735 H HA 0.243 4.799 4.556 -0.000 0.000 0.295 735 H C 1.019 176.359 175.328 0.021 0.000 1.038 735 H CA 0.836 56.894 56.048 0.018 0.000 1.360 735 H CB -0.176 29.596 29.762 0.015 0.000 1.433 735 H HN 0.855 nan 8.280 nan 0.000 0.536 736 A N 1.353 124.213 122.820 0.066 0.000 2.371 736 A HA 0.450 4.770 4.320 -0.000 0.000 0.257 736 A C -0.226 177.357 177.584 -0.000 0.000 1.089 736 A CA -0.185 51.867 52.037 0.025 0.000 0.794 736 A CB 0.175 19.221 19.000 0.077 0.000 1.029 736 A HN 0.361 nan 8.150 nan 0.000 0.488 737 I N 2.747 123.314 120.570 -0.005 0.000 2.436 737 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 737 I C -2.274 173.871 176.117 0.046 0.000 1.010 737 I CA -2.080 59.222 61.300 0.004 0.000 1.098 737 I CB 2.204 40.193 38.000 -0.018 0.000 1.266 737 I HN 0.433 nan 8.210 nan 0.000 0.434 738 P HA 0.063 nan 4.420 nan 0.000 0.271 738 P C -0.948 176.415 177.300 0.105 0.000 1.216 738 P CA 0.095 63.242 63.100 0.078 0.000 0.771 738 P CB 0.357 32.059 31.700 0.003 0.000 0.864 739 H N 2.972 122.070 119.070 0.047 0.000 2.457 739 H HA 0.376 4.932 4.556 -0.000 0.000 0.335 739 H C -1.053 174.306 175.328 0.052 0.000 1.115 739 H CA -0.968 55.101 56.048 0.036 0.000 1.219 739 H CB 1.240 31.024 29.762 0.037 0.000 1.471 739 H HN 0.248 nan 8.280 nan 0.000 0.491 740 L N 4.691 125.563 121.223 -0.585 0.000 2.292 740 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 740 L C -0.660 175.901 176.870 -0.515 0.000 1.065 740 L CA 0.021 54.620 54.840 -0.402 0.000 0.806 740 L CB 1.386 43.280 42.059 -0.275 0.000 1.175 740 L HN 0.561 nan 8.230 nan 0.000 0.431 741 T N 3.672 118.141 114.554 -0.143 0.000 2.809 741 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 741 T C -0.272 174.492 174.700 0.107 0.000 1.015 741 T CA -0.352 61.746 62.100 -0.002 0.000 0.954 741 T CB 0.837 69.755 68.868 0.083 0.000 0.950 741 T HN 0.682 nan 8.240 nan 0.000 0.450 742 T N 2.804 117.428 114.554 0.116 0.000 2.837 742 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 742 T C -0.027 174.719 174.700 0.076 0.000 0.984 742 T CA -0.488 61.722 62.100 0.183 0.000 1.049 742 T CB 1.438 70.442 68.868 0.226 0.000 0.947 742 T HN 0.516 nan 8.240 nan 0.000 0.472 743 S N 0.590 116.293 115.700 0.006 0.000 2.627 743 S HA 0.332 4.802 4.470 -0.000 0.000 0.283 743 S C 1.047 175.582 174.600 -0.109 0.000 1.127 743 S CA -0.714 57.466 58.200 -0.034 0.000 0.863 743 S CB 1.852 65.040 63.200 -0.021 0.000 1.121 743 S HN 0.871 nan 8.310 nan 0.000 0.479 744 E N 0.956 121.107 120.200 -0.081 0.000 2.153 744 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 744 E C 1.082 177.596 176.600 -0.143 0.000 0.988 744 E CA 1.236 57.575 56.400 -0.102 0.000 0.811 744 E CB -0.016 29.650 29.700 -0.057 0.000 0.746 744 E HN 0.557 nan 8.360 nan 0.000 0.466 745 M N 0.403 119.934 119.600 -0.115 0.000 2.492 745 M HA 0.154 4.634 4.480 -0.000 0.000 0.255 745 M C -0.295 175.929 176.300 -0.127 0.000 1.139 745 M CA 0.565 55.805 55.300 -0.100 0.000 1.096 745 M CB 0.423 32.998 32.600 -0.041 0.000 1.360 745 M HN -0.112 nan 8.290 nan 0.000 0.480 746 D N -0.739 119.566 120.400 -0.158 0.000 2.756 746 D HA 0.361 5.001 4.640 -0.000 0.000 0.226 746 D C -1.443 174.769 176.300 -0.146 0.000 1.186 746 D CA -0.307 53.634 54.000 -0.099 0.000 0.845 746 D CB 2.374 43.197 40.800 0.037 0.000 1.610 746 D HN -0.170 nan 8.370 nan 0.000 0.465 747 F N 1.083 121.100 119.950 0.113 0.000 2.411 747 F HA 0.327 4.854 4.527 -0.000 0.000 0.352 747 F C 0.237 176.149 175.800 0.186 0.000 1.123 747 F CA -0.839 57.220 58.000 0.098 0.000 1.044 747 F CB 1.015 40.039 39.000 0.040 0.000 1.135 747 F HN 0.126 nan 8.300 nan 0.000 0.461 748 C N 5.354 124.854 119.300 0.334 0.000 2.379 748 C HA 0.727 5.187 4.460 -0.000 0.000 0.323 748 C C -0.057 175.082 174.990 0.248 0.000 1.262 748 C CA -0.894 58.302 59.018 0.297 0.000 1.581 748 C CB 0.343 28.209 27.740 0.211 0.000 2.221 748 C HN 0.542 nan 8.230 nan 0.000 0.497 749 I N 3.454 124.231 120.570 0.345 0.000 2.404 749 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 749 I C 0.061 176.454 176.117 0.460 0.000 0.992 749 I CA 0.034 61.522 61.300 0.312 0.000 1.149 749 I CB 1.314 39.458 38.000 0.238 0.000 1.315 749 I HN 0.738 nan 8.210 nan 0.000 0.446 750 E N 6.602 127.008 120.200 0.344 0.000 2.288 750 E HA 0.821 5.171 4.350 -0.000 0.000 0.268 750 E C -1.508 175.286 176.600 0.323 0.000 0.885 750 E CA -1.061 55.537 56.400 0.329 0.000 0.767 750 E CB 2.840 32.663 29.700 0.204 0.000 1.220 750 E HN 0.415 nan 8.360 nan 0.000 0.427 751 L N 2.352 123.765 121.223 0.316 0.000 2.737 751 L HA 0.487 4.827 4.340 -0.000 0.000 0.261 751 L C 0.229 177.199 176.870 0.167 0.000 0.949 751 L CA 0.920 55.909 54.840 0.249 0.000 0.952 751 L CB 1.425 43.676 42.059 0.319 0.000 1.337 751 L HN 0.978 nan 8.230 nan 0.000 0.430 752 G N 4.357 113.219 108.800 0.103 0.000 2.591 752 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.298 752 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.298 752 G C 0.436 175.354 174.900 0.029 0.000 1.195 752 G CA 0.585 45.721 45.100 0.060 0.000 0.989 752 G HN 1.384 nan 8.290 nan 0.000 0.551 753 N N 1.398 120.101 118.700 0.005 0.000 2.276 753 N HA 0.152 4.892 4.740 -0.000 0.000 0.212 753 N C 0.163 175.635 175.510 -0.065 0.000 1.127 753 N CA 0.475 53.509 53.050 -0.027 0.000 0.834 753 N CB 0.316 38.785 38.487 -0.030 0.000 1.014 753 N HN 0.715 nan 8.380 nan 0.000 0.491 754 K N 0.675 121.023 120.400 -0.086 0.000 2.206 754 K HA 0.440 4.759 4.320 -0.000 0.000 0.264 754 K C -0.366 176.046 176.600 -0.314 0.000 0.967 754 K CA -0.486 55.621 56.287 -0.300 0.000 0.844 754 K CB 1.970 34.217 32.500 -0.422 0.000 1.099 754 K HN -0.006 nan 8.250 nan 0.000 0.441 755 R N 2.084 122.352 120.500 -0.388 0.000 2.575 755 R HA 0.373 4.713 4.340 -0.000 0.000 0.293 755 R C -1.164 175.027 176.300 -0.181 0.000 0.983 755 R CA -0.757 55.304 56.100 -0.064 0.000 0.887 755 R CB 1.683 32.089 30.300 0.175 0.000 1.184 755 R HN 0.551 nan 8.270 nan 0.000 0.445 756 W N 2.773 124.169 121.300 0.160 0.000 2.532 756 W HA 0.337 4.997 4.660 -0.000 0.000 0.321 756 W C -0.234 176.347 176.519 0.103 0.000 1.037 756 W CA -0.576 56.790 57.345 0.034 0.000 1.220 756 W CB 2.027 31.524 29.460 0.061 0.000 1.361 756 W HN 0.344 nan 8.180 nan 0.000 0.468 757 Q N 2.829 122.698 119.800 0.114 0.000 2.333 757 Q HA 0.391 4.731 4.340 -0.000 0.000 0.268 757 Q C -1.717 174.212 176.000 -0.119 0.000 1.007 757 Q CA -0.513 55.375 55.803 0.141 0.000 0.810 757 Q CB 1.149 30.020 28.738 0.223 0.000 1.264 757 Q HN 0.329 nan 8.270 nan 0.000 0.452 758 F N 2.849 122.865 119.950 0.111 0.000 2.411 758 F HA 0.305 4.832 4.527 -0.000 0.000 0.352 758 F C 0.609 176.436 175.800 0.044 0.000 1.123 758 F CA -0.820 57.216 58.000 0.060 0.000 1.044 758 F CB 1.172 40.207 39.000 0.058 0.000 1.135 758 F HN 0.467 nan 8.300 nan 0.000 0.461 759 N N 3.617 122.411 118.700 0.157 0.000 2.470 759 N HA 0.098 4.838 4.740 -0.000 0.000 0.268 759 N C 0.888 176.418 175.510 0.033 0.000 1.136 759 N CA 0.005 53.102 53.050 0.079 0.000 0.961 759 N CB 0.795 39.332 38.487 0.084 0.000 1.067 759 N HN 0.708 nan 8.380 nan 0.000 0.468 760 R N 2.125 122.580 120.500 -0.076 0.000 2.240 760 R HA -0.052 4.288 4.340 -0.000 0.000 0.203 760 R C 1.690 177.934 176.300 -0.094 0.000 1.011 760 R CA 0.590 56.598 56.100 -0.154 0.000 1.007 760 R CB 0.209 30.300 30.300 -0.348 0.000 0.911 760 R HN 0.693 nan 8.270 nan 0.000 0.468 761 Q N 0.330 120.100 119.800 -0.051 0.000 2.123 761 Q HA -0.089 4.251 4.340 -0.000 0.000 0.196 761 Q C 1.925 177.918 176.000 -0.011 0.000 0.958 761 Q CA 1.713 57.499 55.803 -0.029 0.000 0.841 761 Q CB 0.251 28.986 28.738 -0.006 0.000 0.915 761 Q HN 0.290 nan 8.270 nan 0.000 0.455 762 S N -1.786 113.932 115.700 0.030 0.000 2.421 762 S HA 0.165 4.635 4.470 -0.000 0.000 0.224 762 S C 1.430 175.973 174.600 -0.095 0.000 1.035 762 S CA 0.760 59.002 58.200 0.071 0.000 0.953 762 S CB 0.417 63.770 63.200 0.255 0.000 0.810 762 S HN 0.626 nan 8.310 nan 0.000 0.497 763 G N 0.432 109.190 108.800 -0.069 0.000 2.141 763 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.242 763 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.242 763 G C -0.116 174.736 174.900 -0.080 0.000 0.982 763 G CA 0.186 45.233 45.100 -0.090 0.000 0.662 763 G HN 0.532 nan 8.290 nan 0.000 0.527 764 F N -0.993 119.123 119.950 0.275 0.000 2.507 764 F HA 0.659 5.186 4.527 -0.000 0.000 0.327 764 F C 0.575 176.388 175.800 0.023 0.000 1.068 764 F CA -1.444 56.670 58.000 0.191 0.000 0.965 764 F CB 1.483 40.554 39.000 0.118 0.000 1.192 764 F HN 0.008 nan 8.300 nan 0.000 0.476 765 L N 2.302 123.537 121.223 0.021 0.000 2.638 765 L HA 0.096 4.436 4.340 -0.000 0.000 0.273 765 L C 1.035 177.773 176.870 -0.220 0.000 1.147 765 L CA 0.527 55.057 54.840 -0.517 0.000 0.941 765 L CB 0.161 41.826 42.059 -0.657 0.000 1.251 765 L HN 0.735 nan 8.230 nan 0.000 0.479 766 S N 2.510 118.084 115.700 -0.210 0.000 2.470 766 S HA 0.211 4.681 4.470 -0.000 0.000 0.222 766 S C 0.593 175.045 174.600 -0.247 0.000 1.024 766 S CA -0.055 58.067 58.200 -0.131 0.000 0.931 766 S CB 0.091 63.267 63.200 -0.040 0.000 0.791 766 S HN 0.660 nan 8.310 nan 0.000 0.513 767 Q N -0.245 119.329 119.800 -0.377 0.000 2.426 767 Q HA 0.669 5.009 4.340 -0.000 0.000 0.278 767 Q C -1.946 173.608 176.000 -0.744 0.000 1.007 767 Q CA -0.238 55.186 55.803 -0.632 0.000 0.850 767 Q CB 1.820 30.044 28.738 -0.858 0.000 1.427 767 Q HN 0.408 nan 8.270 nan 0.000 0.391 768 M N 1.825 120.910 119.600 -0.858 0.000 2.457 768 M HA 0.598 5.077 4.480 -0.000 0.000 0.300 768 M C -1.448 174.395 176.300 -0.762 0.000 1.141 768 M CA -0.461 54.393 55.300 -0.743 0.000 0.901 768 M CB 2.068 34.263 32.600 -0.676 0.000 1.687 768 M HN 0.471 nan 8.290 nan 0.000 0.449 769 W N 3.657 124.737 121.300 -0.367 0.000 2.702 769 W HA 0.589 5.249 4.660 -0.000 0.000 0.331 769 W C -1.293 175.043 176.519 -0.304 0.000 1.049 769 W CA -0.620 56.566 57.345 -0.264 0.000 1.230 769 W CB 1.490 30.831 29.460 -0.199 0.000 1.408 769 W HN 0.491 nan 8.180 nan 0.000 0.492 770 I N 3.387 123.950 120.570 -0.013 0.000 2.390 770 I HA 0.410 4.580 4.170 -0.000 0.000 0.283 770 I C 0.890 177.000 176.117 -0.011 0.000 1.016 770 I CA 0.168 61.429 61.300 -0.065 0.000 1.151 770 I CB 0.948 38.882 38.000 -0.110 0.000 1.293 770 I HN 0.714 nan 8.210 nan 0.000 0.458 771 G N 5.914 114.703 108.800 -0.018 0.000 2.543 771 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.286 771 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.286 771 G C 0.483 175.384 174.900 0.001 0.000 1.153 771 G CA 0.515 45.605 45.100 -0.017 0.000 0.968 771 G HN 0.759 nan 8.290 nan 0.000 0.544 772 D N 1.064 121.472 120.400 0.013 0.000 2.369 772 D HA 0.155 4.795 4.640 -0.000 0.000 0.211 772 D C 0.685 177.083 176.300 0.163 0.000 1.077 772 D CA 0.310 54.325 54.000 0.024 0.000 0.842 772 D CB 0.194 40.983 40.800 -0.018 0.000 0.947 772 D HN 0.546 nan 8.370 nan 0.000 0.509 773 K N 1.231 121.724 120.400 0.155 0.000 2.227 773 K HA 0.266 4.586 4.320 -0.000 0.000 0.280 773 K C 0.010 176.677 176.600 0.112 0.000 1.041 773 K CA -0.510 55.849 56.287 0.121 0.000 0.905 773 K CB 1.818 34.336 32.500 0.030 0.000 1.068 773 K HN -0.090 nan 8.250 nan 0.000 0.470 774 K N 2.445 122.859 120.400 0.024 0.000 2.350 774 K HA 0.009 4.329 4.320 -0.000 0.000 0.279 774 K C 0.774 177.243 176.600 -0.219 0.000 1.027 774 K CA -0.214 55.908 56.287 -0.275 0.000 0.969 774 K CB 0.767 33.130 32.500 -0.228 0.000 0.954 774 K HN 0.427 nan 8.250 nan 0.000 0.474 775 Q N 1.386 121.002 119.800 -0.306 0.000 2.396 775 Q HA 0.172 4.512 4.340 -0.000 0.000 0.209 775 Q C 0.202 176.119 176.000 -0.138 0.000 0.906 775 Q CA 0.561 56.287 55.803 -0.128 0.000 0.927 775 Q CB 0.408 29.111 28.738 -0.060 0.000 1.069 775 Q HN 0.512 nan 8.270 nan 0.000 0.523 776 L N 0.476 121.545 121.223 -0.256 0.000 2.362 776 L HA 0.389 4.728 4.340 -0.000 0.000 0.271 776 L C 0.829 177.563 176.870 -0.227 0.000 1.002 776 L CA -0.364 54.337 54.840 -0.232 0.000 0.818 776 L CB 1.795 43.697 42.059 -0.261 0.000 1.298 776 L HN -0.086 nan 8.230 nan 0.000 0.420 777 L N 0.425 121.509 121.223 -0.232 0.000 2.575 777 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 777 L C -0.017 176.736 176.870 -0.195 0.000 1.075 777 L CA 0.622 55.337 54.840 -0.208 0.000 0.867 777 L CB 0.737 42.658 42.059 -0.229 0.000 1.097 777 L HN 0.610 nan 8.230 nan 0.000 0.485 778 T N 0.194 114.599 114.554 -0.248 0.000 2.921 778 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 778 T C -2.588 172.024 174.700 -0.146 0.000 1.013 778 T CA -1.173 60.825 62.100 -0.169 0.000 0.990 778 T CB 2.381 71.146 68.868 -0.172 0.000 1.023 778 T HN -0.285 nan 8.240 nan 0.000 0.447 779 P HA 0.093 nan 4.420 nan 0.000 0.269 779 P C -0.485 176.768 177.300 -0.079 0.000 1.211 779 P CA -0.681 62.373 63.100 -0.077 0.000 0.781 779 P CB 0.439 32.127 31.700 -0.020 0.000 0.877 780 L N 3.670 124.881 121.223 -0.021 0.000 2.385 780 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 780 L C 0.215 177.040 176.870 -0.075 0.000 1.106 780 L CA 0.727 55.591 54.840 0.040 0.000 0.856 780 L CB -0.669 41.519 42.059 0.215 0.000 1.186 780 L HN 0.276 nan 8.230 nan 0.000 0.453 781 R N 2.854 123.209 120.500 -0.243 0.000 2.807 781 R HA 0.441 4.781 4.340 -0.000 0.000 0.276 781 R C -0.928 175.214 176.300 -0.263 0.000 0.979 781 R CA -1.063 54.696 56.100 -0.569 0.000 0.928 781 R CB 1.270 31.086 30.300 -0.808 0.000 1.191 781 R HN 0.538 nan 8.270 nan 0.000 0.471 782 D N 1.385 121.688 120.400 -0.162 0.000 2.423 782 D HA 0.003 4.643 4.640 -0.000 0.000 0.238 782 D C -0.402 175.497 176.300 -0.668 0.000 1.142 782 D CA 0.574 54.330 54.000 -0.406 0.000 0.884 782 D CB 0.646 41.148 40.800 -0.497 0.000 1.199 782 D HN 0.197 nan 8.370 nan 0.000 0.438 783 Q N 1.349 120.586 119.800 -0.938 0.000 2.285 783 Q HA 0.330 4.670 4.340 -0.000 0.000 0.269 783 Q C -1.158 174.140 176.000 -1.170 0.000 1.030 783 Q CA -0.608 54.694 55.803 -0.835 0.000 0.788 783 Q CB 0.801 29.256 28.738 -0.472 0.000 1.266 783 Q HN 0.546 nan 8.270 nan 0.000 0.438 784 F N 0.760 120.282 119.950 -0.713 0.000 2.688 784 F HA 0.197 4.724 4.527 -0.000 0.000 0.310 784 F C 0.552 175.896 175.800 -0.760 0.000 1.098 784 F CA -0.225 57.248 58.000 -0.878 0.000 1.228 784 F CB 1.476 39.554 39.000 -1.537 0.000 1.042 784 F HN 0.394 nan 8.300 nan 0.000 0.557 785 T N -0.898 113.335 114.554 -0.535 0.000 2.916 785 T HA 0.741 5.091 4.350 -0.000 0.000 0.292 785 T C -0.598 173.848 174.700 -0.424 0.000 1.055 785 T CA -0.981 60.747 62.100 -0.620 0.000 1.009 785 T CB 2.757 71.198 68.868 -0.711 0.000 1.118 785 T HN 0.263 nan 8.240 nan 0.000 0.497 786 R N 0.391 120.676 120.500 -0.359 0.000 2.795 786 R HA 0.784 5.124 4.340 -0.000 0.000 0.275 786 R C -0.605 175.737 176.300 0.070 0.000 0.981 786 R CA -1.182 54.841 56.100 -0.128 0.000 0.917 786 R CB 1.566 31.798 30.300 -0.114 0.000 1.202 786 R HN 0.816 nan 8.270 nan 0.000 0.469 787 A N 3.791 126.641 122.820 0.051 0.000 2.515 787 A HA 0.255 4.575 4.320 -0.000 0.000 0.263 787 A C -1.953 175.688 177.584 0.095 0.000 1.096 787 A CA -1.231 50.838 52.037 0.053 0.000 0.769 787 A CB -0.461 18.517 19.000 -0.037 0.000 1.040 787 A HN 0.586 nan 8.150 nan 0.000 0.505 788 P HA 0.127 nan 4.420 nan 0.000 0.268 788 P C -0.244 177.154 177.300 0.162 0.000 1.204 788 P CA 0.301 63.552 63.100 0.251 0.000 0.768 788 P CB 0.456 32.328 31.700 0.287 0.000 0.842 789 L N 2.509 123.804 121.223 0.120 0.000 2.466 789 L HA 0.133 4.473 4.340 -0.000 0.000 0.257 789 L C 1.844 178.730 176.870 0.027 0.000 1.189 789 L CA -0.476 54.372 54.840 0.012 0.000 0.813 789 L CB -0.144 41.862 42.059 -0.088 0.000 1.118 789 L HN 0.282 nan 8.230 nan 0.000 0.471 790 D N 0.342 120.705 120.400 -0.060 0.000 2.133 790 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 790 D C 1.657 177.889 176.300 -0.115 0.000 0.997 790 D CA 1.438 55.348 54.000 -0.151 0.000 0.840 790 D CB -0.109 40.527 40.800 -0.273 0.000 0.947 790 D HN 0.484 nan 8.370 nan 0.000 0.452 791 N N 1.065 119.711 118.700 -0.090 0.000 2.289 791 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 791 N C 1.169 176.694 175.510 0.026 0.000 1.016 791 N CA 0.762 53.784 53.050 -0.047 0.000 0.872 791 N CB -0.192 38.260 38.487 -0.058 0.000 0.973 791 N HN 0.264 nan 8.380 nan 0.000 0.433 792 D N 0.350 120.784 120.400 0.056 0.000 2.183 792 D HA 0.025 4.665 4.640 -0.000 0.000 0.203 792 D C 2.004 178.353 176.300 0.081 0.000 0.969 792 D CA 0.462 54.531 54.000 0.116 0.000 0.842 792 D CB 0.112 41.054 40.800 0.236 0.000 0.957 792 D HN 0.332 nan 8.370 nan 0.000 0.484 793 I N 0.098 120.704 120.570 0.060 0.000 2.494 793 I HA 0.080 4.250 4.170 -0.000 0.000 0.250 793 I C 1.835 177.979 176.117 0.045 0.000 1.112 793 I CA 0.630 61.958 61.300 0.046 0.000 1.438 793 I CB -0.357 37.658 38.000 0.025 0.000 1.111 793 I HN 0.058 nan 8.210 nan 0.000 0.431 794 G N 1.405 110.239 108.800 0.058 0.000 2.583 794 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.292 794 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.292 794 G C 0.703 175.780 174.900 0.294 0.000 1.203 794 G CA 0.814 46.013 45.100 0.165 0.000 0.987 794 G HN 0.553 nan 8.290 nan 0.000 0.554 795 V N -1.748 118.297 119.914 0.218 0.000 3.633 795 V HA 0.588 4.708 4.120 -0.000 0.000 0.283 795 V C 1.281 177.408 176.094 0.056 0.000 1.305 795 V CA 1.295 63.668 62.300 0.122 0.000 1.153 795 V CB 0.071 31.867 31.823 -0.046 0.000 0.950 795 V HN 1.282 nan 8.190 nan 0.000 0.432 796 S N 1.248 116.981 115.700 0.055 0.000 2.533 796 S HA 0.309 4.779 4.470 -0.000 0.000 0.282 796 S C 0.022 174.640 174.600 0.031 0.000 1.304 796 S CA -0.044 58.171 58.200 0.024 0.000 1.063 796 S CB 0.175 63.384 63.200 0.014 0.000 0.881 796 S HN 0.786 nan 8.310 nan 0.000 0.493 797 E N 1.604 121.816 120.200 0.020 0.000 2.431 797 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 797 E C 0.727 177.341 176.600 0.024 0.000 0.953 797 E CA -0.725 55.691 56.400 0.027 0.000 0.810 797 E CB 1.290 31.004 29.700 0.024 0.000 1.369 797 E HN 0.568 nan 8.360 nan 0.000 0.440 798 A N 0.040 122.880 122.820 0.032 0.000 1.898 798 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 798 A C 1.982 179.579 177.584 0.021 0.000 1.181 798 A CA 2.398 54.453 52.037 0.030 0.000 0.620 798 A CB -0.936 18.087 19.000 0.039 0.000 0.819 798 A HN 0.649 nan 8.150 nan 0.000 0.442 799 T N -3.217 111.348 114.554 0.019 0.000 3.067 799 T HA 0.163 4.513 4.350 -0.000 0.000 0.261 799 T C 0.920 175.620 174.700 -0.000 0.000 1.110 799 T CA 0.410 62.516 62.100 0.010 0.000 1.113 799 T CB -0.031 68.843 68.868 0.010 0.000 0.917 799 T HN 0.344 nan 8.240 nan 0.000 0.499 800 R N 0.795 121.293 120.500 -0.003 0.000 2.639 800 R HA 0.457 4.797 4.340 -0.000 0.000 0.273 800 R C -1.035 175.257 176.300 -0.012 0.000 1.732 800 R CA -0.393 55.698 56.100 -0.015 0.000 1.586 800 R CB 0.671 30.954 30.300 -0.029 0.000 1.263 800 R HN 0.351 nan 8.270 nan 0.000 0.615 801 I N 1.635 122.200 120.570 -0.009 0.000 2.556 801 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 801 I C 0.427 176.530 176.117 -0.023 0.000 1.114 801 I CA 0.335 61.629 61.300 -0.010 0.000 1.418 801 I CB 0.491 38.488 38.000 -0.005 0.000 1.394 801 I HN 0.285 nan 8.210 nan 0.000 0.552 802 D N 9.670 130.055 120.400 -0.026 0.000 2.443 802 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 802 D C -1.519 174.743 176.300 -0.063 0.000 1.097 802 D CA -2.415 51.559 54.000 -0.042 0.000 0.865 802 D CB 1.231 42.010 40.800 -0.035 0.000 1.034 802 D HN 0.202 nan 8.370 nan 0.000 0.511 803 P HA -0.118 nan 4.420 nan 0.000 0.225 803 P C 0.874 178.085 177.300 -0.147 0.000 1.148 803 P CA 0.594 63.641 63.100 -0.089 0.000 0.779 803 P CB 0.449 32.106 31.700 -0.072 0.000 0.780 804 N N 0.247 118.852 118.700 -0.158 0.000 2.409 804 N HA 0.014 4.754 4.740 -0.000 0.000 0.179 804 N C 0.563 175.875 175.510 -0.331 0.000 1.032 804 N CA 0.176 53.086 53.050 -0.234 0.000 0.898 804 N CB -0.534 37.845 38.487 -0.181 0.000 0.971 804 N HN -0.030 nan 8.380 nan 0.000 0.441 805 A N -0.505 122.172 122.820 -0.239 0.000 2.483 805 A HA 0.038 4.358 4.320 -0.000 0.000 0.238 805 A C 0.744 178.115 177.584 -0.354 0.000 1.070 805 A CA -0.246 51.649 52.037 -0.237 0.000 0.770 805 A CB -0.221 18.720 19.000 -0.099 0.000 1.008 805 A HN 0.547 nan 8.150 nan 0.000 0.497 806 W N 1.504 122.550 121.300 -0.423 0.000 2.338 806 W HA -0.161 4.499 4.660 -0.000 0.000 0.304 806 W C 2.206 178.090 176.519 -1.058 0.000 1.212 806 W CA 1.615 58.427 57.345 -0.889 0.000 1.264 806 W CB -0.258 28.571 29.460 -1.051 0.000 1.142 806 W HN 0.557 nan 8.180 nan 0.000 0.512 807 V N 0.768 120.543 119.914 -0.231 0.000 2.407 807 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 807 V C 2.054 178.235 176.094 0.145 0.000 1.055 807 V CA 2.011 64.411 62.300 0.166 0.000 1.049 807 V CB -0.284 31.678 31.823 0.231 0.000 0.662 807 V HN 0.081 nan 8.190 nan 0.000 0.455 808 E N -0.259 119.932 120.200 -0.015 0.000 2.158 808 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 808 E C 2.339 178.912 176.600 -0.044 0.000 0.982 808 E CA 0.670 57.064 56.400 -0.010 0.000 0.823 808 E CB -0.222 29.451 29.700 -0.047 0.000 0.766 808 E HN 0.595 nan 8.360 nan 0.000 0.468 809 R N -0.121 120.278 120.500 -0.169 0.000 2.075 809 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 809 R C 2.226 178.476 176.300 -0.083 0.000 1.126 809 R CA 1.063 57.042 56.100 -0.201 0.000 0.963 809 R CB -0.111 29.951 30.300 -0.395 0.000 0.858 809 R HN 0.236 nan 8.270 nan 0.000 0.435 810 W N 1.499 122.778 121.300 -0.036 0.000 2.355 810 W HA -0.095 4.565 4.660 -0.000 0.000 0.309 810 W C 1.976 178.502 176.519 0.013 0.000 1.206 810 W CA 0.756 58.003 57.345 -0.163 0.000 1.284 810 W CB -0.742 28.738 29.460 0.033 0.000 1.145 810 W HN 0.089 nan 8.180 nan 0.000 0.502 811 K N 0.141 120.780 120.400 0.399 0.000 2.026 811 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 811 K C 2.280 178.953 176.600 0.122 0.000 1.048 811 K CA 1.906 58.368 56.287 0.293 0.000 0.929 811 K CB -0.654 31.965 32.500 0.198 0.000 0.713 811 K HN -0.012 nan 8.250 nan 0.000 0.439 812 A N 1.051 123.916 122.820 0.075 0.000 2.019 812 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 812 A C 2.182 179.786 177.584 0.034 0.000 1.164 812 A CA 1.728 53.793 52.037 0.046 0.000 0.644 812 A CB -0.493 18.520 19.000 0.022 0.000 0.805 812 A HN 0.346 nan 8.150 nan 0.000 0.449 813 A N -1.930 120.899 122.820 0.015 0.000 2.169 813 A HA 0.409 4.729 4.320 -0.000 0.000 0.212 813 A C 1.783 179.356 177.584 -0.019 0.000 1.153 813 A CA 1.216 53.278 52.037 0.043 0.000 0.756 813 A CB -0.747 18.270 19.000 0.029 0.000 0.813 813 A HN 1.852 nan 8.150 nan 0.000 0.471 814 G N -1.527 107.141 108.800 -0.220 0.000 2.132 814 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 814 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 814 G C 0.586 175.486 174.900 -0.000 0.000 0.989 814 G CA 0.605 45.341 45.100 -0.607 0.000 0.676 814 G HN 0.716 nan 8.290 nan 0.000 0.522 815 H N -1.384 117.681 119.070 -0.009 0.000 2.353 815 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 815 H C 2.166 177.464 175.328 -0.050 0.000 1.090 815 H CA 1.741 57.796 56.048 0.012 0.000 1.327 815 H CB 0.117 29.826 29.762 -0.088 0.000 1.383 815 H HN 0.620 nan 8.280 nan 0.000 0.508 816 Y N 0.268 120.691 120.300 0.207 0.000 2.519 816 Y HA -0.064 4.486 4.550 -0.000 0.000 0.287 816 Y C 2.197 178.177 175.900 0.134 0.000 1.128 816 Y CA 0.303 58.482 58.100 0.132 0.000 1.282 816 Y CB 0.403 38.927 38.460 0.107 0.000 1.027 816 Y HN 0.169 nan 8.280 nan 0.000 0.551 817 Q N -0.185 119.774 119.800 0.266 0.000 2.378 817 Q HA 0.284 4.624 4.340 -0.000 0.000 0.216 817 Q C 0.849 177.029 176.000 0.300 0.000 0.892 817 Q CA 0.223 56.178 55.803 0.253 0.000 0.931 817 Q CB 0.208 29.090 28.738 0.239 0.000 1.086 817 Q HN 0.281 nan 8.270 nan 0.000 0.528 818 A N 2.023 125.038 122.820 0.324 0.000 2.567 818 A HA 0.020 4.340 4.320 -0.000 0.000 0.240 818 A C -0.140 177.732 177.584 0.481 0.000 1.053 818 A CA 0.411 52.700 52.037 0.420 0.000 0.755 818 A CB 0.054 19.336 19.000 0.470 0.000 0.978 818 A HN 0.112 nan 8.150 nan 0.000 0.507 819 E N 1.099 121.498 120.200 0.332 0.000 2.175 819 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 819 E C -0.105 176.456 176.600 -0.065 0.000 0.969 819 E CA -0.560 55.954 56.400 0.191 0.000 0.796 819 E CB 1.735 31.513 29.700 0.131 0.000 1.104 819 E HN 0.794 nan 8.360 nan 0.000 0.395 820 A N 2.465 125.125 122.820 -0.267 0.000 2.404 820 A HA 0.475 4.795 4.320 -0.000 0.000 0.273 820 A C -0.129 177.298 177.584 -0.261 0.000 1.144 820 A CA -0.201 51.410 52.037 -0.711 0.000 0.806 820 A CB 0.206 18.869 19.000 -0.562 0.000 1.080 820 A HN 0.584 nan 8.150 nan 0.000 0.509 821 A N 3.003 125.669 122.820 -0.257 0.000 2.276 821 A HA 0.573 4.893 4.320 -0.000 0.000 0.316 821 A C -0.291 177.195 177.584 -0.164 0.000 1.229 821 A CA -0.539 51.419 52.037 -0.132 0.000 0.851 821 A CB 0.360 19.309 19.000 -0.086 0.000 1.165 821 A HN 1.220 nan 8.150 nan 0.000 0.513 822 L N 3.334 124.452 121.223 -0.175 0.000 2.360 822 L HA 0.353 4.693 4.340 -0.000 0.000 0.276 822 L C 0.395 177.128 176.870 -0.229 0.000 1.121 822 L CA 0.329 54.973 54.840 -0.327 0.000 0.845 822 L CB 0.362 42.250 42.059 -0.286 0.000 1.143 822 L HN 0.771 nan 8.230 nan 0.000 0.452 823 L N 3.151 124.223 121.223 -0.250 0.000 2.500 823 L HA 0.348 4.688 4.340 -0.000 0.000 0.219 823 L C 0.472 177.274 176.870 -0.113 0.000 1.057 823 L CA 0.038 54.798 54.840 -0.134 0.000 0.854 823 L CB 0.020 42.029 42.059 -0.083 0.000 1.078 823 L HN 0.673 nan 8.230 nan 0.000 0.480 824 Q N -0.164 119.546 119.800 -0.150 0.000 2.320 824 Q HA 0.362 4.702 4.340 -0.000 0.000 0.272 824 Q C -1.995 173.948 176.000 -0.094 0.000 1.023 824 Q CA -0.439 55.312 55.803 -0.087 0.000 0.855 824 Q CB 3.113 31.824 28.738 -0.045 0.000 1.367 824 Q HN 0.116 nan 8.270 nan 0.000 0.406 825 C N 3.622 122.908 119.300 -0.024 0.000 3.027 825 C HA 0.634 5.094 4.460 -0.000 0.000 0.350 825 C C -0.647 174.449 174.990 0.176 0.000 1.042 825 C CA 0.112 59.161 59.018 0.052 0.000 1.350 825 C CB 0.109 27.868 27.740 0.032 0.000 1.809 825 C HN 0.822 nan 8.230 nan 0.000 0.513 826 T N 2.003 116.609 114.554 0.086 0.000 2.932 826 T HA 0.897 5.247 4.350 -0.000 0.000 0.289 826 T C -0.326 174.197 174.700 -0.295 0.000 1.039 826 T CA -0.387 61.715 62.100 0.004 0.000 1.024 826 T CB 1.988 70.833 68.868 -0.039 0.000 1.090 826 T HN 1.413 nan 8.240 nan 0.000 0.496 827 A N 1.602 124.052 122.820 -0.615 0.000 2.356 827 A HA 0.713 5.033 4.320 -0.000 0.000 0.310 827 A C -1.165 176.149 177.584 -0.449 0.000 1.075 827 A CA -0.803 50.748 52.037 -0.810 0.000 0.746 827 A CB 1.149 19.149 19.000 -1.666 0.000 1.221 827 A HN 0.862 nan 8.150 nan 0.000 0.443 828 D N 1.567 121.772 120.400 -0.326 0.000 2.646 828 D HA 0.432 5.072 4.640 -0.000 0.000 0.245 828 D C -0.900 175.288 176.300 -0.187 0.000 1.099 828 D CA 0.014 53.889 54.000 -0.208 0.000 0.849 828 D CB 2.194 42.906 40.800 -0.146 0.000 1.448 828 D HN 0.405 nan 8.370 nan 0.000 0.489 829 T N 2.392 116.860 114.554 -0.144 0.000 2.738 829 T HA 0.396 4.746 4.350 -0.000 0.000 0.298 829 T C 0.753 175.406 174.700 -0.080 0.000 0.962 829 T CA -0.463 61.569 62.100 -0.114 0.000 0.972 829 T CB 0.541 69.353 68.868 -0.094 0.000 0.928 829 T HN 0.087 nan 8.240 nan 0.000 0.474 830 L N 1.596 122.774 121.223 -0.075 0.000 2.448 830 L HA 0.561 4.901 4.340 -0.000 0.000 0.258 830 L C 1.997 178.842 176.870 -0.042 0.000 1.104 830 L CA -1.090 53.717 54.840 -0.056 0.000 0.800 830 L CB 0.251 42.276 42.059 -0.056 0.000 1.241 830 L HN 0.647 nan 8.230 nan 0.000 0.472 831 A N 0.399 123.199 122.820 -0.033 0.000 1.978 831 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 831 A C 1.300 178.867 177.584 -0.028 0.000 1.170 831 A CA 2.041 54.062 52.037 -0.027 0.000 0.636 831 A CB -0.482 18.505 19.000 -0.022 0.000 0.810 831 A HN 0.933 nan 8.150 nan 0.000 0.448 832 D N -2.923 117.459 120.400 -0.030 0.000 2.525 832 D HA 0.496 5.136 4.640 -0.000 0.000 0.231 832 D C 0.251 176.530 176.300 -0.034 0.000 1.216 832 D CA 0.749 54.733 54.000 -0.027 0.000 0.813 832 D CB -0.109 40.679 40.800 -0.019 0.000 1.108 832 D HN 0.423 nan 8.370 nan 0.000 0.524 833 A N -0.154 122.637 122.820 -0.048 0.000 2.583 833 A HA 0.666 4.986 4.320 -0.000 0.000 0.289 833 A C -1.575 175.953 177.584 -0.093 0.000 1.151 833 A CA -0.671 51.323 52.037 -0.071 0.000 0.695 833 A CB 1.829 20.786 19.000 -0.072 0.000 1.290 833 A HN -0.011 nan 8.150 nan 0.000 0.419 834 V N 0.751 120.588 119.914 -0.129 0.000 2.448 834 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 834 V C -0.942 175.038 176.094 -0.189 0.000 1.025 834 V CA -0.381 61.820 62.300 -0.165 0.000 0.859 834 V CB 1.211 32.926 31.823 -0.180 0.000 0.988 834 V HN 0.760 nan 8.190 nan 0.000 0.431 835 L N 6.789 127.896 121.223 -0.193 0.000 2.280 835 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 835 L C -0.582 176.140 176.870 -0.247 0.000 1.023 835 L CA 0.042 54.776 54.840 -0.177 0.000 0.819 835 L CB 0.931 42.917 42.059 -0.122 0.000 1.212 835 L HN 0.416 nan 8.230 nan 0.000 0.420 836 I N 4.265 124.675 120.570 -0.268 0.000 2.336 836 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 836 I C 0.004 176.074 176.117 -0.078 0.000 0.991 836 I CA -0.207 60.895 61.300 -0.331 0.000 1.227 836 I CB 1.295 38.824 38.000 -0.785 0.000 1.366 836 I HN 0.547 nan 8.210 nan 0.000 0.466 837 T N 4.730 119.247 114.554 -0.062 0.000 2.812 837 T HA 0.587 4.937 4.350 -0.000 0.000 0.282 837 T C 0.227 174.961 174.700 0.057 0.000 0.990 837 T CA -0.594 61.518 62.100 0.021 0.000 0.960 837 T CB 1.730 70.590 68.868 -0.014 0.000 0.948 837 T HN 0.767 nan 8.240 nan 0.000 0.438 838 T N -0.396 114.235 114.554 0.128 0.000 2.916 838 T HA 0.881 5.231 4.350 -0.000 0.000 0.292 838 T C -1.012 173.738 174.700 0.083 0.000 1.055 838 T CA -1.106 61.055 62.100 0.102 0.000 1.009 838 T CB 2.034 71.046 68.868 0.241 0.000 1.118 838 T HN 0.781 nan 8.240 nan 0.000 0.497 839 A N 1.584 124.370 122.820 -0.058 0.000 2.437 839 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 839 A C -1.432 176.032 177.584 -0.201 0.000 1.038 839 A CA -0.788 51.248 52.037 -0.001 0.000 0.708 839 A CB 0.815 19.821 19.000 0.010 0.000 1.251 839 A HN 0.995 nan 8.150 nan 0.000 0.409 840 H N 0.328 119.445 119.070 0.078 0.000 2.690 840 H HA 0.764 5.320 4.556 -0.000 0.000 0.368 840 H C -0.008 175.336 175.328 0.028 0.000 1.150 840 H CA 0.261 56.269 56.048 -0.067 0.000 1.174 840 H CB 2.144 31.769 29.762 -0.228 0.000 1.684 840 H HN 0.958 nan 8.280 nan 0.000 0.538 841 A N 2.427 125.248 122.820 0.002 0.000 2.318 841 A HA 0.359 4.679 4.320 -0.000 0.000 0.317 841 A C -1.219 176.363 177.584 -0.004 0.000 1.159 841 A CA -0.714 51.386 52.037 0.105 0.000 0.799 841 A CB 0.903 19.939 19.000 0.060 0.000 1.194 841 A HN 0.599 nan 8.150 nan 0.000 0.479 842 W N 2.097 123.502 121.300 0.175 0.000 2.335 842 W HA 0.413 5.073 4.660 -0.000 0.000 0.307 842 W C -0.326 176.211 176.519 0.030 0.000 1.117 842 W CA -0.081 57.361 57.345 0.162 0.000 1.228 842 W CB 1.406 31.040 29.460 0.290 0.000 1.240 842 W HN 0.713 nan 8.180 nan 0.000 0.468 843 Q N 1.617 121.541 119.800 0.207 0.000 2.375 843 Q HA 0.248 4.588 4.340 -0.000 0.000 0.271 843 Q C -1.231 174.886 176.000 0.195 0.000 1.074 843 Q CA -0.895 54.988 55.803 0.132 0.000 0.808 843 Q CB 3.192 31.972 28.738 0.070 0.000 1.327 843 Q HN 0.369 nan 8.270 nan 0.000 0.441 844 H N 1.670 120.776 119.070 0.060 0.000 2.727 844 H HA 0.170 4.726 4.556 -0.000 0.000 0.330 844 H C -1.013 174.348 175.328 0.056 0.000 0.986 844 H CA -0.150 55.945 56.048 0.077 0.000 1.251 844 H CB 0.744 30.565 29.762 0.098 0.000 1.493 844 H HN 0.641 nan 8.280 nan 0.000 0.515 845 Q N 3.941 123.543 119.800 -0.329 0.000 2.439 845 Q HA -0.263 4.077 4.340 -0.000 0.000 0.325 845 Q C 0.973 176.920 176.000 -0.088 0.000 1.372 845 Q CA 1.071 56.727 55.803 -0.245 0.000 0.909 845 Q CB -1.463 27.062 28.738 -0.354 0.000 1.167 845 Q HN 1.272 nan 8.270 nan 0.000 0.418 846 G N -0.583 108.193 108.800 -0.040 0.000 2.217 846 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.246 846 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.246 846 G C 0.040 174.944 174.900 0.007 0.000 0.990 846 G CA 0.370 45.464 45.100 -0.011 0.000 0.627 846 G HN 0.349 nan 8.290 nan 0.000 0.522 847 K N 1.935 122.347 120.400 0.021 0.000 2.240 847 K HA 0.627 4.947 4.320 -0.000 0.000 0.271 847 K C 0.086 176.698 176.600 0.021 0.000 1.018 847 K CA -0.143 56.161 56.287 0.028 0.000 0.874 847 K CB 0.781 33.309 32.500 0.047 0.000 1.098 847 K HN 0.010 nan 8.250 nan 0.000 0.458 848 T N 6.433 120.990 114.554 0.005 0.000 2.738 848 T HA 0.169 4.519 4.350 -0.000 0.000 0.293 848 T C 1.147 175.790 174.700 -0.096 0.000 0.913 848 T CA -0.251 61.845 62.100 -0.007 0.000 1.103 848 T CB 0.212 69.092 68.868 0.020 0.000 0.880 848 T HN 0.534 nan 8.240 nan 0.000 0.526 849 L N 2.451 123.531 121.223 -0.237 0.000 2.130 849 L HA 0.318 4.658 4.340 -0.000 0.000 0.200 849 L C 0.052 176.416 176.870 -0.844 0.000 1.075 849 L CA 0.893 55.320 54.840 -0.689 0.000 0.768 849 L CB -0.006 41.343 42.059 -1.184 0.000 0.933 849 L HN 0.512 nan 8.230 nan 0.000 0.451 850 F N -1.005 118.886 119.950 -0.099 0.000 2.588 850 F HA 0.584 5.111 4.527 -0.000 0.000 0.314 850 F C -0.395 175.481 175.800 0.127 0.000 1.069 850 F CA -0.821 57.058 58.000 -0.201 0.000 0.931 850 F CB 1.886 40.325 39.000 -0.935 0.000 1.260 850 F HN -0.301 nan 8.300 nan 0.000 0.465 851 I N 1.435 122.206 120.570 0.336 0.000 2.466 851 I HA 0.344 4.513 4.170 -0.000 0.000 0.289 851 I C -0.762 175.617 176.117 0.437 0.000 1.026 851 I CA -0.532 60.998 61.300 0.384 0.000 1.078 851 I CB 2.164 40.305 38.000 0.235 0.000 1.249 851 I HN 0.541 nan 8.210 nan 0.000 0.429 852 S N 6.706 122.760 115.700 0.590 0.000 2.498 852 S HA 0.555 5.025 4.470 -0.000 0.000 0.317 852 S C -0.621 174.219 174.600 0.400 0.000 1.090 852 S CA -0.664 57.861 58.200 0.542 0.000 1.089 852 S CB 0.603 64.259 63.200 0.761 0.000 0.997 852 S HN 0.529 nan 8.310 nan 0.000 0.470 853 R N 3.616 124.277 120.500 0.268 0.000 2.387 853 R HA 0.525 4.865 4.340 -0.000 0.000 0.314 853 R C -0.727 175.649 176.300 0.126 0.000 0.958 853 R CA -0.715 55.496 56.100 0.185 0.000 0.846 853 R CB 1.700 32.082 30.300 0.137 0.000 1.147 853 R HN 0.527 nan 8.270 nan 0.000 0.447 854 K N 1.135 121.603 120.400 0.114 0.000 2.435 854 K HA 0.411 4.731 4.320 -0.000 0.000 0.251 854 K C -0.683 175.908 176.600 -0.015 0.000 0.954 854 K CA -0.837 55.450 56.287 -0.001 0.000 0.820 854 K CB 2.616 35.106 32.500 -0.017 0.000 1.292 854 K HN 0.607 nan 8.250 nan 0.000 0.436 855 T N -1.241 113.240 114.554 -0.122 0.000 2.863 855 T HA 0.538 4.888 4.350 -0.000 0.000 0.285 855 T C -1.079 173.505 174.700 -0.193 0.000 1.009 855 T CA -0.736 61.322 62.100 -0.071 0.000 0.989 855 T CB 0.493 69.340 68.868 -0.035 0.000 1.004 855 T HN 0.360 nan 8.240 nan 0.000 0.455 856 Y N 0.979 121.244 120.300 -0.058 0.000 2.328 856 Y HA 0.586 5.136 4.550 -0.000 0.000 0.333 856 Y C 0.563 176.386 175.900 -0.129 0.000 0.958 856 Y CA -1.127 56.946 58.100 -0.046 0.000 1.167 856 Y CB 1.668 40.116 38.460 -0.020 0.000 1.151 856 Y HN 0.587 nan 8.280 nan 0.000 0.470 857 R N 4.498 125.012 120.500 0.024 0.000 2.288 857 R HA 0.605 4.945 4.340 -0.000 0.000 0.326 857 R C -1.508 174.732 176.300 -0.100 0.000 0.959 857 R CA -0.478 55.591 56.100 -0.051 0.000 0.834 857 R CB 0.525 30.804 30.300 -0.035 0.000 1.157 857 R HN 0.761 nan 8.270 nan 0.000 0.470 858 I N 5.173 125.624 120.570 -0.198 0.000 2.328 858 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 858 I C -0.110 175.877 176.117 -0.217 0.000 1.012 858 I CA -0.703 60.398 61.300 -0.331 0.000 1.195 858 I CB 1.242 38.829 38.000 -0.688 0.000 1.350 858 I HN 0.634 nan 8.210 nan 0.000 0.464 859 D N 4.370 124.689 120.400 -0.136 0.000 2.549 859 D HA 0.246 4.886 4.640 -0.000 0.000 0.270 859 D C 1.310 177.593 176.300 -0.029 0.000 1.181 859 D CA -0.753 53.208 54.000 -0.065 0.000 1.070 859 D CB 0.709 41.493 40.800 -0.027 0.000 1.154 859 D HN 0.435 nan 8.370 nan 0.000 0.602 860 G N -1.273 107.528 108.800 0.002 0.000 2.509 860 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 860 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 860 G C 1.249 176.185 174.900 0.060 0.000 1.124 860 G CA 1.016 46.136 45.100 0.033 0.000 0.776 860 G HN 0.544 nan 8.290 nan 0.000 0.547 861 S N -0.814 114.919 115.700 0.054 0.000 2.522 861 S HA 0.337 4.807 4.470 -0.000 0.000 0.227 861 S C 1.855 176.516 174.600 0.102 0.000 0.986 861 S CA 1.030 59.272 58.200 0.071 0.000 0.929 861 S CB -0.062 63.175 63.200 0.061 0.000 0.769 861 S HN 1.461 nan 8.310 nan 0.000 0.529 862 G N 0.311 109.183 108.800 0.120 0.000 2.159 862 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.227 862 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.227 862 G C -0.271 174.769 174.900 0.234 0.000 0.986 862 G CA -0.072 45.167 45.100 0.231 0.000 0.651 862 G HN 0.603 nan 8.290 nan 0.000 0.523 863 Q N -0.398 119.471 119.800 0.114 0.000 2.230 863 Q HA 0.679 5.019 4.340 -0.000 0.000 0.253 863 Q C 0.098 176.117 176.000 0.032 0.000 0.919 863 Q CA -0.439 55.434 55.803 0.117 0.000 0.908 863 Q CB 1.786 30.585 28.738 0.101 0.000 1.245 863 Q HN 0.398 nan 8.270 nan 0.000 0.437 864 M N 2.067 121.725 119.600 0.098 0.000 2.044 864 M HA 0.493 4.973 4.480 -0.000 0.000 0.333 864 M C -1.342 175.049 176.300 0.150 0.000 1.004 864 M CA -0.518 54.812 55.300 0.052 0.000 0.954 864 M CB 0.902 33.541 32.600 0.065 0.000 1.468 864 M HN 0.717 nan 8.290 nan 0.000 0.414 865 A N 6.932 129.804 122.820 0.087 0.000 2.302 865 A HA 0.587 4.907 4.320 -0.000 0.000 0.295 865 A C -0.622 176.992 177.584 0.050 0.000 1.235 865 A CA -0.503 51.585 52.037 0.084 0.000 0.876 865 A CB -0.190 18.842 19.000 0.053 0.000 1.133 865 A HN 0.921 nan 8.150 nan 0.000 0.533 866 I N 2.923 123.516 120.570 0.037 0.000 2.330 866 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 866 I C -0.021 175.995 176.117 -0.169 0.000 1.001 866 I CA -0.104 61.120 61.300 -0.126 0.000 1.193 866 I CB 1.721 39.668 38.000 -0.088 0.000 1.345 866 I HN 0.483 nan 8.210 nan 0.000 0.461 867 T N 5.951 120.376 114.554 -0.215 0.000 2.795 867 T HA 0.542 4.892 4.350 -0.000 0.000 0.282 867 T C -0.167 174.354 174.700 -0.299 0.000 0.980 867 T CA -0.482 61.495 62.100 -0.205 0.000 1.012 867 T CB 1.754 70.592 68.868 -0.050 0.000 0.936 867 T HN 0.218 nan 8.240 nan 0.000 0.457 868 V N 3.733 123.364 119.914 -0.472 0.000 2.531 868 V HA 0.456 4.576 4.120 -0.000 0.000 0.301 868 V C -0.739 175.205 176.094 -0.250 0.000 1.034 868 V CA -0.918 61.108 62.300 -0.458 0.000 0.865 868 V CB 2.016 33.289 31.823 -0.916 0.000 0.995 868 V HN 0.876 nan 8.190 nan 0.000 0.424 869 D N 3.499 123.907 120.400 0.013 0.000 2.593 869 D HA 0.515 5.155 4.640 -0.000 0.000 0.251 869 D C -1.058 175.372 176.300 0.216 0.000 1.140 869 D CA -0.174 53.926 54.000 0.166 0.000 0.855 869 D CB 2.921 43.837 40.800 0.194 0.000 1.267 869 D HN 0.260 nan 8.370 nan 0.000 0.532 870 V N 2.336 122.420 119.914 0.283 0.000 2.513 870 V HA 0.262 4.382 4.120 -0.000 0.000 0.299 870 V C 0.131 176.387 176.094 0.270 0.000 1.035 870 V CA -0.704 61.787 62.300 0.318 0.000 0.889 870 V CB 2.333 34.400 31.823 0.406 0.000 0.988 870 V HN 0.378 nan 8.190 nan 0.000 0.440 871 E N 2.620 122.961 120.200 0.235 0.000 2.179 871 E HA 0.624 4.973 4.350 -0.000 0.000 0.275 871 E C -1.441 175.279 176.600 0.200 0.000 0.945 871 E CA -0.567 55.946 56.400 0.188 0.000 0.792 871 E CB 2.454 32.242 29.700 0.148 0.000 1.125 871 E HN 0.422 nan 8.360 nan 0.000 0.397 872 V N 2.191 122.225 119.914 0.200 0.000 2.444 872 V HA 0.358 4.478 4.120 -0.000 0.000 0.294 872 V C 0.043 176.224 176.094 0.145 0.000 1.022 872 V CA -0.969 61.461 62.300 0.217 0.000 0.850 872 V CB 1.493 33.498 31.823 0.304 0.000 0.992 872 V HN 0.833 nan 8.190 nan 0.000 0.426 873 A N 3.515 126.376 122.820 0.067 0.000 2.546 873 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 873 A C 1.637 179.287 177.584 0.109 0.000 1.063 873 A CA 0.620 52.691 52.037 0.055 0.000 0.757 873 A CB 0.230 19.228 19.000 -0.004 0.000 0.991 873 A HN 1.365 nan 8.150 nan 0.000 0.503 874 S N 1.398 117.161 115.700 0.106 0.000 2.399 874 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 874 S C 1.008 175.682 174.600 0.124 0.000 1.022 874 S CA 1.422 59.703 58.200 0.136 0.000 0.983 874 S CB -0.318 62.941 63.200 0.099 0.000 0.803 874 S HN 0.836 nan 8.310 nan 0.000 0.480 875 D N 0.302 120.749 120.400 0.078 0.000 2.339 875 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 875 D C 0.622 176.950 176.300 0.047 0.000 1.050 875 D CA 0.161 54.191 54.000 0.049 0.000 0.856 875 D CB -0.646 40.173 40.800 0.032 0.000 0.922 875 D HN 0.316 nan 8.370 nan 0.000 0.518 876 T N 2.115 116.718 114.554 0.083 0.000 2.910 876 T HA 0.306 4.656 4.350 -0.000 0.000 0.293 876 T C -2.518 172.276 174.700 0.158 0.000 1.015 876 T CA -1.718 60.459 62.100 0.128 0.000 1.094 876 T CB 1.132 70.087 68.868 0.145 0.000 0.968 876 T HN -0.064 nan 8.240 nan 0.000 0.521 877 P HA 0.064 nan 4.420 nan 0.000 0.265 877 P C -0.465 177.122 177.300 0.479 0.000 1.193 877 P CA -0.230 62.967 63.100 0.162 0.000 0.765 877 P CB 0.209 31.978 31.700 0.115 0.000 0.823 878 H N 3.657 123.081 119.070 0.589 0.000 3.125 878 H HA 0.036 4.592 4.556 -0.000 0.000 0.310 878 H C -1.674 173.969 175.328 0.524 0.000 0.980 878 H CA -1.295 55.039 56.048 0.476 0.000 1.422 878 H CB -0.870 29.111 29.762 0.366 0.000 1.432 878 H HN 0.373 nan 8.280 nan 0.000 0.577 879 P HA 0.044 nan 4.420 nan 0.000 0.272 879 P C 0.432 177.635 177.300 -0.162 0.000 1.223 879 P CA -0.247 62.947 63.100 0.156 0.000 0.784 879 P CB 0.824 32.510 31.700 -0.024 0.000 0.923 880 A N 3.403 125.851 122.820 -0.621 0.000 1.972 880 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 880 A C 1.127 178.328 177.584 -0.639 0.000 1.169 880 A CA 1.425 53.043 52.037 -0.699 0.000 0.635 880 A CB -0.566 17.768 19.000 -1.110 0.000 0.810 880 A HN 0.775 nan 8.150 nan 0.000 0.446 881 R N -2.909 117.253 120.500 -0.563 0.000 2.712 881 R HA 0.688 5.028 4.340 -0.000 0.000 0.272 881 R C -1.929 174.132 176.300 -0.398 0.000 1.032 881 R CA -0.829 54.957 56.100 -0.524 0.000 0.874 881 R CB 0.581 30.512 30.300 -0.615 0.000 1.256 881 R HN 0.007 nan 8.270 nan 0.000 0.468 882 I N 1.372 121.744 120.570 -0.329 0.000 2.493 882 I HA 0.647 4.817 4.170 -0.000 0.000 0.279 882 I C -0.265 175.617 176.117 -0.391 0.000 1.045 882 I CA -0.245 60.882 61.300 -0.288 0.000 1.106 882 I CB 1.907 39.837 38.000 -0.117 0.000 1.216 882 I HN 0.951 nan 8.210 nan 0.000 0.459 883 G N 5.645 114.141 108.800 -0.507 0.000 2.706 883 G HA2 0.765 4.725 3.960 -0.000 0.000 0.307 883 G HA3 0.765 4.725 3.960 -0.000 0.000 0.307 883 G C -1.643 173.061 174.900 -0.327 0.000 1.307 883 G CA -0.638 44.194 45.100 -0.446 0.000 0.790 883 G HN 0.261 nan 8.290 nan 0.000 0.503 884 L N 0.973 122.064 121.223 -0.220 0.000 2.341 884 L HA 0.635 4.975 4.340 -0.000 0.000 0.267 884 L C -0.684 176.074 176.870 -0.187 0.000 1.009 884 L CA -1.153 53.592 54.840 -0.159 0.000 0.819 884 L CB 2.368 44.420 42.059 -0.011 0.000 1.323 884 L HN 0.774 nan 8.230 nan 0.000 0.425 885 N N 0.797 119.415 118.700 -0.138 0.000 2.416 885 N HA 0.706 5.446 4.740 -0.000 0.000 0.276 885 N C -1.208 174.303 175.510 0.001 0.000 1.261 885 N CA -0.573 52.435 53.050 -0.070 0.000 0.790 885 N CB 2.341 40.808 38.487 -0.032 0.000 1.554 885 N HN 0.840 nan 8.380 nan 0.000 0.481 886 C N -1.212 118.103 119.300 0.024 0.000 3.311 886 C HA 0.592 5.052 4.460 -0.000 0.000 0.325 886 C C -1.091 173.699 174.990 -0.334 0.000 1.352 886 C CA -0.839 58.139 59.018 -0.067 0.000 1.308 886 C CB 1.101 28.828 27.740 -0.020 0.000 1.619 886 C HN 0.849 nan 8.230 nan 0.000 0.469 887 Q N 1.299 120.679 119.800 -0.700 0.000 2.372 887 Q HA 0.651 4.991 4.340 -0.000 0.000 0.259 887 Q C -1.142 174.552 176.000 -0.509 0.000 0.993 887 Q CA -0.407 54.750 55.803 -1.077 0.000 0.854 887 Q CB 0.898 28.628 28.738 -1.680 0.000 1.231 887 Q HN 0.767 nan 8.270 nan 0.000 0.462 888 L N 2.563 123.586 121.223 -0.333 0.000 2.417 888 L HA 0.292 4.632 4.340 -0.000 0.000 0.268 888 L C 1.134 177.933 176.870 -0.118 0.000 1.158 888 L CA -0.182 54.589 54.840 -0.116 0.000 0.819 888 L CB 0.923 43.020 42.059 0.063 0.000 1.112 888 L HN 0.810 nan 8.230 nan 0.000 0.458 889 A N 1.847 124.629 122.820 -0.064 0.000 2.016 889 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 889 A C 1.107 178.688 177.584 -0.006 0.000 1.162 889 A CA 0.409 52.410 52.037 -0.060 0.000 0.662 889 A CB -0.240 18.719 19.000 -0.068 0.000 0.812 889 A HN 0.763 nan 8.150 nan 0.000 0.450 890 Q N 0.209 120.047 119.800 0.063 0.000 2.337 890 Q HA 0.360 4.700 4.340 -0.000 0.000 0.270 890 Q C -1.067 174.993 176.000 0.100 0.000 1.002 890 Q CA 0.461 56.305 55.803 0.068 0.000 0.888 890 Q CB 0.719 29.522 28.738 0.109 0.000 1.222 890 Q HN 0.132 nan 8.270 nan 0.000 0.400 891 V N 4.205 124.137 119.914 0.029 0.000 2.325 891 V HA 0.709 4.829 4.120 -0.000 0.000 0.280 891 V C -0.347 175.720 176.094 -0.044 0.000 1.016 891 V CA -0.363 61.973 62.300 0.061 0.000 0.818 891 V CB 0.692 32.533 31.823 0.030 0.000 1.019 891 V HN 0.896 nan 8.190 nan 0.000 0.434 892 A N 3.215 125.930 122.820 -0.175 0.000 2.294 892 A HA 0.684 5.004 4.320 -0.000 0.000 0.330 892 A C 0.829 178.381 177.584 -0.054 0.000 1.133 892 A CA -0.455 51.403 52.037 -0.298 0.000 0.836 892 A CB 0.986 19.529 19.000 -0.762 0.000 1.190 892 A HN 0.777 nan 8.150 nan 0.000 0.492 893 E N 0.036 120.215 120.200 -0.035 0.000 2.112 893 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 893 E C 0.089 176.748 176.600 0.098 0.000 0.979 893 E CA 0.687 57.109 56.400 0.037 0.000 0.814 893 E CB 0.130 29.838 29.700 0.015 0.000 0.762 893 E HN 0.425 nan 8.360 nan 0.000 0.460 894 R N 0.493 121.052 120.500 0.098 0.000 2.778 894 R HA 0.480 4.820 4.340 -0.000 0.000 0.277 894 R C -0.706 175.767 176.300 0.288 0.000 0.977 894 R CA -0.806 55.392 56.100 0.163 0.000 0.950 894 R CB 1.872 32.237 30.300 0.109 0.000 1.165 894 R HN -0.163 nan 8.270 nan 0.000 0.474 895 V N 2.407 122.520 119.914 0.332 0.000 2.407 895 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 895 V C -0.113 176.264 176.094 0.472 0.000 1.018 895 V CA -0.927 61.621 62.300 0.413 0.000 0.842 895 V CB 1.681 33.702 31.823 0.330 0.000 0.996 895 V HN 0.616 nan 8.190 nan 0.000 0.426 896 N N 4.841 123.782 118.700 0.401 0.000 2.392 896 N HA 0.498 5.238 4.740 -0.000 0.000 0.283 896 N C -1.306 174.451 175.510 0.412 0.000 1.003 896 N CA -0.426 52.821 53.050 0.329 0.000 0.892 896 N CB 2.313 40.891 38.487 0.152 0.000 1.193 896 N HN 0.812 nan 8.380 nan 0.000 0.487 897 W N 3.548 124.891 121.300 0.072 0.000 3.107 897 W HA 0.557 5.217 4.660 -0.000 0.000 0.331 897 W C -1.989 174.497 176.519 -0.056 0.000 1.204 897 W CA -1.142 56.218 57.345 0.025 0.000 1.184 897 W CB 0.672 30.183 29.460 0.085 0.000 1.421 897 W HN 0.210 nan 8.180 nan 0.000 0.544 898 L N 4.698 125.871 121.223 -0.084 0.000 2.272 898 L HA 0.888 5.228 4.340 -0.000 0.000 0.284 898 L C 0.057 176.693 176.870 -0.390 0.000 1.045 898 L CA 0.407 55.010 54.840 -0.396 0.000 0.842 898 L CB 0.399 42.309 42.059 -0.247 0.000 1.224 898 L HN 0.942 nan 8.230 nan 0.000 0.430 899 G N 3.703 112.150 108.800 -0.589 0.000 2.348 899 G HA2 0.225 4.185 3.960 -0.000 0.000 0.296 899 G HA3 0.225 4.185 3.960 -0.000 0.000 0.296 899 G C -1.598 173.275 174.900 -0.045 0.000 1.258 899 G CA -1.046 43.897 45.100 -0.262 0.000 0.868 899 G HN 0.383 nan 8.290 nan 0.000 0.488 900 L N 1.098 122.433 121.223 0.186 0.000 2.367 900 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 900 L C 1.064 178.023 176.870 0.147 0.000 1.129 900 L CA 0.776 55.709 54.840 0.156 0.000 0.839 900 L CB 0.583 42.689 42.059 0.079 0.000 1.133 900 L HN 1.144 nan 8.230 nan 0.000 0.453 901 G N 2.958 111.664 108.800 -0.157 0.000 2.348 901 G HA2 0.234 4.194 3.960 -0.000 0.000 0.296 901 G HA3 0.234 4.194 3.960 -0.000 0.000 0.296 901 G C -2.727 171.409 174.900 -1.272 0.000 1.258 901 G CA -0.250 44.428 45.100 -0.704 0.000 0.868 901 G HN 0.316 nan 8.290 nan 0.000 0.488 902 P HA 0.079 nan 4.420 nan 0.000 0.235 902 P C 0.432 177.518 177.300 -0.357 0.000 1.177 902 P CA 0.619 63.032 63.100 -1.145 0.000 0.785 902 P CB 0.465 31.599 31.700 -0.944 0.000 0.885 903 Q N 0.550 120.139 119.800 -0.351 0.000 2.317 903 Q HA 0.142 4.482 4.340 -0.000 0.000 0.229 903 Q C 0.371 176.244 176.000 -0.212 0.000 0.984 903 Q CA -0.622 55.050 55.803 -0.218 0.000 0.911 903 Q CB 0.704 29.336 28.738 -0.176 0.000 1.217 903 Q HN 0.136 nan 8.270 nan 0.000 0.501 904 E N 1.591 121.671 120.200 -0.200 0.000 2.652 904 E HA -0.149 4.201 4.350 -0.000 0.000 0.255 904 E C -1.135 175.376 176.600 -0.148 0.000 0.952 904 E CA 0.350 56.625 56.400 -0.209 0.000 0.947 904 E CB 0.156 29.792 29.700 -0.107 0.000 0.912 904 E HN 0.579 nan 8.360 nan 0.000 0.489 905 N N 3.036 121.579 118.700 -0.260 0.000 2.308 905 N HA 0.317 5.057 4.740 -0.000 0.000 0.283 905 N C -1.879 173.419 175.510 -0.354 0.000 1.105 905 N CA -0.668 52.281 53.050 -0.168 0.000 0.840 905 N CB 0.769 39.175 38.487 -0.137 0.000 1.633 905 N HN 0.225 nan 8.380 nan 0.000 0.476 906 Y N 0.336 120.545 120.300 -0.151 0.000 2.598 906 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 906 Y C -1.619 174.212 175.900 -0.115 0.000 1.038 906 Y CA -2.042 55.958 58.100 -0.167 0.000 1.100 906 Y CB 2.029 40.387 38.460 -0.171 0.000 1.281 906 Y HN 0.453 nan 8.280 nan 0.000 0.488 907 P HA -0.203 nan 4.420 nan 0.000 0.216 907 P C 0.455 177.673 177.300 -0.135 0.000 1.154 907 P CA 2.250 65.410 63.100 0.100 0.000 0.865 907 P CB 0.200 32.058 31.700 0.262 0.000 0.789 908 D N -2.459 117.634 120.400 -0.512 0.000 2.328 908 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 908 D C 0.777 176.914 176.300 -0.272 0.000 1.072 908 D CA 0.175 53.645 54.000 -0.884 0.000 0.850 908 D CB -0.336 39.666 40.800 -1.331 0.000 0.922 908 D HN 0.115 nan 8.370 nan 0.000 0.516 909 R N 1.037 121.484 120.500 -0.089 0.000 2.655 909 R HA 0.214 4.554 4.340 -0.000 0.000 0.261 909 R C -0.470 175.857 176.300 0.045 0.000 1.624 909 R CA -0.169 55.941 56.100 0.017 0.000 1.655 909 R CB 0.087 30.403 30.300 0.027 0.000 1.356 909 R HN 0.115 nan 8.270 nan 0.000 0.684 910 L N -1.847 119.408 121.223 0.053 0.000 3.259 910 L HA 0.335 4.675 4.340 -0.000 0.000 0.292 910 L C 1.438 178.352 176.870 0.072 0.000 1.219 910 L CA 0.129 54.998 54.840 0.047 0.000 1.035 910 L CB 0.132 42.213 42.059 0.036 0.000 1.424 910 L HN 0.076 nan 8.230 nan 0.000 0.603 911 T N -2.254 112.367 114.554 0.111 0.000 2.788 911 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 911 T C 1.850 176.534 174.700 -0.027 0.000 1.044 911 T CA 1.495 63.675 62.100 0.132 0.000 1.139 911 T CB -0.479 68.537 68.868 0.247 0.000 0.867 911 T HN 0.395 nan 8.240 nan 0.000 0.454 912 A N 1.925 124.744 122.820 -0.001 0.000 2.014 912 A HA 0.590 4.909 4.320 -0.000 0.000 0.218 912 A C 1.690 179.341 177.584 0.110 0.000 1.163 912 A CA 0.685 52.700 52.037 -0.037 0.000 0.652 912 A CB -1.076 18.056 19.000 0.220 0.000 0.808 912 A HN 0.888 nan 8.150 nan 0.000 0.449 913 A N -1.159 121.672 122.820 0.019 0.000 2.386 913 A HA 0.434 4.754 4.320 -0.000 0.000 0.248 913 A C -0.000 177.594 177.584 0.017 0.000 1.082 913 A CA 0.011 52.027 52.037 -0.035 0.000 0.789 913 A CB -0.141 18.827 19.000 -0.053 0.000 1.025 913 A HN 0.509 nan 8.150 nan 0.000 0.490 914 C N 0.793 120.107 119.300 0.023 0.000 2.507 914 C HA 0.504 4.964 4.460 -0.000 0.000 0.319 914 C C -0.085 174.992 174.990 0.145 0.000 1.208 914 C CA -0.526 58.552 59.018 0.100 0.000 1.619 914 C CB 0.599 28.422 27.740 0.139 0.000 2.230 914 C HN 0.794 nan 8.230 nan 0.000 0.492 915 F N 4.015 123.776 119.950 -0.315 0.000 2.472 915 F HA 0.427 4.954 4.527 -0.000 0.000 0.364 915 F C 0.444 175.894 175.800 -0.582 0.000 1.090 915 F CA 1.384 59.042 58.000 -0.570 0.000 1.188 915 F CB -0.030 38.100 39.000 -1.450 0.000 1.105 915 F HN 0.624 nan 8.300 nan 0.000 0.536 916 D N 3.296 123.131 120.400 -0.942 0.000 2.792 916 D HA 0.162 4.802 4.640 -0.000 0.000 0.335 916 D C -1.645 173.782 176.300 -1.455 0.000 1.353 916 D CA -0.750 52.566 54.000 -1.141 0.000 0.839 916 D CB 1.406 41.413 40.800 -1.321 0.000 1.396 916 D HN 0.417 nan 8.370 nan 0.000 0.479 917 R N 0.778 120.539 120.500 -1.232 0.000 2.216 917 R HA 0.459 4.799 4.340 -0.000 0.000 0.332 917 R C -1.366 174.228 176.300 -1.177 0.000 1.056 917 R CA -0.066 55.451 56.100 -0.972 0.000 0.901 917 R CB -0.002 29.965 30.300 -0.555 0.000 1.039 917 R HN 0.268 nan 8.270 nan 0.000 0.456 918 W N 2.974 123.766 121.300 -0.846 0.000 2.666 918 W HA 0.404 5.064 4.660 -0.000 0.000 0.334 918 W C -0.407 175.720 176.519 -0.654 0.000 1.051 918 W CA -0.745 56.031 57.345 -0.948 0.000 1.224 918 W CB 1.755 30.182 29.460 -1.722 0.000 1.405 918 W HN 0.366 nan 8.180 nan 0.000 0.513 919 D N 3.358 123.715 120.400 -0.072 0.000 2.602 919 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 919 D C -1.477 174.915 176.300 0.153 0.000 1.325 919 D CA -0.164 53.880 54.000 0.074 0.000 0.952 919 D CB 1.169 41.981 40.800 0.020 0.000 1.317 919 D HN 0.361 nan 8.370 nan 0.000 0.577 920 L N 3.552 124.942 121.223 0.278 0.000 2.350 920 L HA 0.542 4.882 4.340 -0.000 0.000 0.260 920 L C -2.214 174.773 176.870 0.196 0.000 1.015 920 L CA -2.066 52.913 54.840 0.232 0.000 0.821 920 L CB 2.794 45.032 42.059 0.300 0.000 1.370 920 L HN 0.194 nan 8.230 nan 0.000 0.416 921 P HA -0.017 nan 4.420 nan 0.000 0.269 921 P C 0.576 177.954 177.300 0.131 0.000 1.209 921 P CA -0.308 62.863 63.100 0.118 0.000 0.776 921 P CB 1.028 32.776 31.700 0.080 0.000 0.876 922 L N 3.534 124.841 121.223 0.140 0.000 2.081 922 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 922 L C 2.386 179.310 176.870 0.089 0.000 1.080 922 L CA 2.771 57.688 54.840 0.128 0.000 0.754 922 L CB -1.434 40.718 42.059 0.154 0.000 0.893 922 L HN 0.488 nan 8.230 nan 0.000 0.433 923 S N -1.980 113.774 115.700 0.089 0.000 2.447 923 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 923 S C 1.574 176.243 174.600 0.114 0.000 1.006 923 S CA 1.076 59.345 58.200 0.115 0.000 0.957 923 S CB -0.689 62.569 63.200 0.097 0.000 0.773 923 S HN 0.525 nan 8.310 nan 0.000 0.507 924 D N 1.162 121.603 120.400 0.068 0.000 2.347 924 D HA 0.112 4.752 4.640 -0.000 0.000 0.215 924 D C 1.331 177.621 176.300 -0.017 0.000 0.976 924 D CA 0.628 54.641 54.000 0.021 0.000 0.884 924 D CB -0.132 40.689 40.800 0.035 0.000 0.915 924 D HN 0.384 nan 8.370 nan 0.000 0.526 925 M N -0.463 119.139 119.600 0.003 0.000 2.561 925 M HA 0.054 4.533 4.480 -0.000 0.000 0.238 925 M C -0.059 176.230 176.300 -0.019 0.000 1.131 925 M CA 0.030 55.282 55.300 -0.079 0.000 1.046 925 M CB -0.792 31.754 32.600 -0.090 0.000 1.532 925 M HN -0.045 nan 8.290 nan 0.000 0.497 926 Y N 0.344 120.592 120.300 -0.086 0.000 2.341 926 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 926 Y C -0.652 175.175 175.900 -0.122 0.000 0.965 926 Y CA -0.961 57.103 58.100 -0.060 0.000 1.108 926 Y CB 1.182 39.675 38.460 0.054 0.000 1.180 926 Y HN -0.131 nan 8.280 nan 0.000 0.458 927 T N 9.359 123.449 114.554 -0.772 0.000 2.733 927 T HA 0.267 4.617 4.350 -0.000 0.000 0.294 927 T C -2.631 171.275 174.700 -1.324 0.000 0.956 927 T CA -1.444 60.096 62.100 -0.934 0.000 0.987 927 T CB 0.931 69.303 68.868 -0.827 0.000 0.920 927 T HN 0.462 nan 8.240 nan 0.000 0.470 928 P HA 0.141 nan 4.420 nan 0.000 0.220 928 P C -0.640 176.484 177.300 -0.293 0.000 1.806 928 P CA -0.473 62.193 63.100 -0.724 0.000 0.976 928 P CB -0.692 30.724 31.700 -0.474 0.000 1.952 929 Y N -0.288 119.942 120.300 -0.118 0.000 2.712 929 Y HA -0.097 4.453 4.550 -0.000 0.000 0.333 929 Y C 2.267 178.228 175.900 0.102 0.000 1.225 929 Y CA -0.510 57.609 58.100 0.031 0.000 1.499 929 Y CB 0.535 38.967 38.460 -0.047 0.000 1.288 929 Y HN -0.072 nan 8.280 nan 0.000 0.575 930 V N 3.188 123.332 119.914 0.384 0.000 2.343 930 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 930 V C 0.477 176.762 176.094 0.319 0.000 1.051 930 V CA 1.317 63.826 62.300 0.348 0.000 1.036 930 V CB -0.497 31.568 31.823 0.403 0.000 0.654 930 V HN 0.552 nan 8.190 nan 0.000 0.451 931 F N 2.901 122.898 119.950 0.078 0.000 2.350 931 F HA 0.483 5.010 4.527 -0.000 0.000 0.365 931 F C -2.386 173.423 175.800 0.016 0.000 1.122 931 F CA -3.559 54.431 58.000 -0.016 0.000 1.139 931 F CB 0.698 39.598 39.000 -0.167 0.000 1.220 931 F HN 0.011 nan 8.300 nan 0.000 0.499 932 P HA 0.203 nan 4.420 nan 0.000 0.268 932 P C -1.045 176.056 177.300 -0.333 0.000 1.204 932 P CA 0.176 63.114 63.100 -0.271 0.000 0.768 932 P CB 1.028 32.550 31.700 -0.296 0.000 0.842 933 S N 0.349 115.986 115.700 -0.106 0.000 2.672 933 S HA 0.447 4.917 4.470 -0.000 0.000 0.271 933 S C -0.787 173.818 174.600 0.008 0.000 1.171 933 S CA -0.994 57.166 58.200 -0.065 0.000 0.817 933 S CB 0.539 63.713 63.200 -0.044 0.000 1.150 933 S HN 0.303 nan 8.310 nan 0.000 0.478 934 E N 1.244 121.456 120.200 0.019 0.000 2.652 934 E HA 0.277 4.627 4.350 -0.000 0.000 0.255 934 E C -0.234 176.434 176.600 0.113 0.000 0.952 934 E CA 0.951 57.391 56.400 0.066 0.000 0.947 934 E CB -0.448 29.314 29.700 0.104 0.000 0.912 934 E HN 0.763 nan 8.360 nan 0.000 0.489 935 N N 1.925 120.719 118.700 0.156 0.000 2.823 935 N HA 0.526 5.266 4.740 -0.000 0.000 0.251 935 N C 0.148 175.700 175.510 0.071 0.000 1.392 935 N CA -0.513 52.658 53.050 0.202 0.000 0.864 935 N CB 1.224 39.814 38.487 0.172 0.000 1.481 935 N HN 0.663 nan 8.380 nan 0.000 0.508 936 G N -1.032 107.767 108.800 -0.002 0.000 2.159 936 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.256 936 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.256 936 G C -0.290 174.335 174.900 -0.457 0.000 0.977 936 G CA 0.292 45.267 45.100 -0.208 0.000 0.652 936 G HN 0.716 nan 8.290 nan 0.000 0.531 937 L N 0.987 121.860 121.223 -0.584 0.000 2.485 937 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 937 L C 0.482 176.767 176.870 -0.975 0.000 1.207 937 L CA 0.191 54.459 54.840 -0.955 0.000 0.855 937 L CB 0.401 41.601 42.059 -1.432 0.000 1.114 937 L HN 0.216 nan 8.230 nan 0.000 0.485 938 R N 3.795 123.647 120.500 -1.079 0.000 2.513 938 R HA 0.445 4.785 4.340 -0.000 0.000 0.301 938 R C -0.878 175.076 176.300 -0.577 0.000 0.968 938 R CA -0.549 55.040 56.100 -0.852 0.000 0.872 938 R CB 0.847 30.455 30.300 -1.153 0.000 1.177 938 R HN 0.636 nan 8.270 nan 0.000 0.444 939 C N -0.413 118.688 119.300 -0.331 0.000 2.352 939 C HA 0.643 5.103 4.460 -0.000 0.000 0.387 939 C C 1.445 176.404 174.990 -0.050 0.000 1.294 939 C CA 0.276 59.182 59.018 -0.186 0.000 2.137 939 C CB 1.011 28.667 27.740 -0.139 0.000 2.146 939 C HN 1.036 nan 8.230 nan 0.000 0.559 940 G N 1.653 110.443 108.800 -0.016 0.000 2.341 940 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.292 940 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.292 940 G C -0.040 174.915 174.900 0.091 0.000 1.021 940 G CA 0.605 45.750 45.100 0.075 0.000 0.905 940 G HN 0.803 nan 8.290 nan 0.000 0.508 941 T N 0.079 114.555 114.554 -0.131 0.000 2.767 941 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 941 T C 1.332 175.718 174.700 -0.524 0.000 0.963 941 T CA -0.626 61.327 62.100 -0.245 0.000 1.019 941 T CB 1.397 70.125 68.868 -0.233 0.000 0.923 941 T HN 0.211 nan 8.240 nan 0.000 0.468 942 R N 1.582 121.993 120.500 -0.148 0.000 2.254 942 R HA 0.280 4.620 4.340 -0.000 0.000 0.193 942 R C 0.540 176.880 176.300 0.067 0.000 0.929 942 R CA 0.235 56.330 56.100 -0.010 0.000 1.038 942 R CB 0.395 30.819 30.300 0.206 0.000 1.009 942 R HN 0.672 nan 8.270 nan 0.000 0.512 943 E N 0.600 120.833 120.200 0.055 0.000 2.321 943 E HA 0.304 4.654 4.350 -0.000 0.000 0.281 943 E C -1.829 174.898 176.600 0.212 0.000 0.910 943 E CA -0.638 55.873 56.400 0.185 0.000 0.770 943 E CB 1.516 31.293 29.700 0.129 0.000 1.225 943 E HN -0.095 nan 8.360 nan 0.000 0.417 944 L N 4.219 125.633 121.223 0.319 0.000 2.385 944 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 944 L C -1.746 175.307 176.870 0.305 0.000 0.990 944 L CA -0.409 54.558 54.840 0.212 0.000 0.821 944 L CB 1.715 43.749 42.059 -0.042 0.000 1.279 944 L HN 0.447 nan 8.230 nan 0.000 0.412 945 N N 4.542 123.398 118.700 0.260 0.000 2.354 945 N HA 0.361 5.101 4.740 -0.000 0.000 0.287 945 N C -1.974 173.752 175.510 0.360 0.000 1.016 945 N CA -0.242 52.958 53.050 0.251 0.000 0.871 945 N CB 2.098 40.676 38.487 0.151 0.000 1.299 945 N HN 0.611 nan 8.380 nan 0.000 0.482 946 Y N 1.415 121.855 120.300 0.233 0.000 2.301 946 Y HA 0.396 4.946 4.550 -0.000 0.000 0.325 946 Y C 0.701 176.704 175.900 0.172 0.000 1.103 946 Y CA 0.130 58.364 58.100 0.223 0.000 1.182 946 Y CB 0.521 39.160 38.460 0.298 0.000 1.139 946 Y HN 0.858 nan 8.280 nan 0.000 0.443 947 G N 6.454 115.097 108.800 -0.261 0.000 2.591 947 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.298 947 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.298 947 G C -1.512 173.288 174.900 -0.166 0.000 1.195 947 G CA 0.175 45.124 45.100 -0.252 0.000 0.989 947 G HN 0.570 nan 8.290 nan 0.000 0.551 948 P HA 0.099 nan 4.420 nan 0.000 0.236 948 P C 0.310 177.422 177.300 -0.314 0.000 1.177 948 P CA 0.913 63.835 63.100 -0.298 0.000 0.773 948 P CB -0.041 31.421 31.700 -0.396 0.000 0.878 949 H N 0.590 119.593 119.070 -0.112 0.000 2.525 949 H HA 0.393 4.949 4.556 -0.000 0.000 0.339 949 H C 0.086 175.127 175.328 -0.479 0.000 1.109 949 H CA 0.134 55.975 56.048 -0.343 0.000 1.352 949 H CB 1.355 30.775 29.762 -0.571 0.000 1.461 949 H HN 0.130 nan 8.280 nan 0.000 0.533 950 Q N 3.274 122.790 119.800 -0.472 0.000 2.285 950 Q HA 0.221 4.561 4.340 -0.000 0.000 0.269 950 Q C -1.519 174.185 176.000 -0.493 0.000 1.030 950 Q CA -0.721 54.895 55.803 -0.311 0.000 0.788 950 Q CB 1.806 30.506 28.738 -0.064 0.000 1.266 950 Q HN 0.579 nan 8.270 nan 0.000 0.438 951 W N 4.110 125.342 121.300 -0.113 0.000 2.573 951 W HA 0.572 5.232 4.660 -0.000 0.000 0.326 951 W C -0.079 176.499 176.519 0.098 0.000 1.049 951 W CA -0.749 56.498 57.345 -0.164 0.000 1.220 951 W CB 1.760 30.915 29.460 -0.508 0.000 1.373 951 W HN 0.507 nan 8.180 nan 0.000 0.507 952 R N 0.728 121.434 120.500 0.344 0.000 2.750 952 R HA 0.771 5.111 4.340 -0.000 0.000 0.281 952 R C 0.222 176.780 176.300 0.430 0.000 0.972 952 R CA -0.452 55.880 56.100 0.386 0.000 0.912 952 R CB 2.350 32.791 30.300 0.236 0.000 1.187 952 R HN 0.762 nan 8.270 nan 0.000 0.464 953 G N 0.754 109.820 108.800 0.443 0.000 2.553 953 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.106 953 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.106 953 G C -1.740 173.321 174.900 0.269 0.000 1.126 953 G CA -0.328 44.999 45.100 0.378 0.000 1.075 953 G HN 0.498 nan 8.290 nan 0.000 0.472 954 D N 0.060 120.627 120.400 0.278 0.000 2.411 954 D HA 0.582 5.222 4.640 -0.000 0.000 0.239 954 D C -0.821 175.515 176.300 0.061 0.000 1.307 954 D CA -0.440 53.606 54.000 0.076 0.000 0.930 954 D CB 0.186 41.041 40.800 0.092 0.000 1.395 954 D HN 0.607 nan 8.370 nan 0.000 0.536 955 F N -0.059 119.882 119.950 -0.015 0.000 2.664 955 F HA 0.722 5.249 4.527 -0.000 0.000 0.317 955 F C -1.071 174.686 175.800 -0.071 0.000 1.108 955 F CA -1.033 56.899 58.000 -0.113 0.000 0.957 955 F CB 0.913 39.840 39.000 -0.121 0.000 1.365 955 F HN -0.154 nan 8.300 nan 0.000 0.475 956 Q N 2.007 121.872 119.800 0.109 0.000 2.306 956 Q HA 0.633 4.973 4.340 -0.000 0.000 0.265 956 Q C -1.280 174.796 176.000 0.127 0.000 1.022 956 Q CA -0.541 55.254 55.803 -0.013 0.000 0.853 956 Q CB 2.642 31.276 28.738 -0.174 0.000 1.327 956 Q HN 0.865 nan 8.270 nan 0.000 0.449 957 F N -0.768 119.070 119.950 -0.187 0.000 2.631 957 F HA 0.709 5.236 4.527 -0.000 0.000 0.308 957 F C -1.513 174.073 175.800 -0.356 0.000 1.097 957 F CA -1.055 56.799 58.000 -0.243 0.000 0.952 957 F CB 1.585 40.480 39.000 -0.174 0.000 1.307 957 F HN 0.568 nan 8.300 nan 0.000 0.450 958 N N 2.688 121.211 118.700 -0.295 0.000 2.321 958 N HA 0.748 5.488 4.740 -0.000 0.000 0.290 958 N C -2.045 173.399 175.510 -0.109 0.000 1.212 958 N CA -0.815 52.032 53.050 -0.338 0.000 0.767 958 N CB 2.648 40.957 38.487 -0.297 0.000 1.494 958 N HN 1.088 nan 8.380 nan 0.000 0.479 959 I N 0.396 120.894 120.570 -0.119 0.000 2.586 959 I HA 0.626 4.796 4.170 -0.000 0.000 0.288 959 I C -1.406 174.639 176.117 -0.120 0.000 1.147 959 I CA 0.032 61.244 61.300 -0.147 0.000 1.047 959 I CB 1.226 39.081 38.000 -0.242 0.000 1.244 959 I HN 1.026 nan 8.210 nan 0.000 0.429 960 S N 6.203 121.845 115.700 -0.095 0.000 2.661 960 S HA 0.536 5.005 4.470 -0.000 0.000 0.268 960 S C -0.173 174.338 174.600 -0.149 0.000 1.162 960 S CA -1.000 57.149 58.200 -0.085 0.000 0.817 960 S CB 1.803 65.031 63.200 0.047 0.000 1.141 960 S HN 0.612 nan 8.310 nan 0.000 0.477 961 R N -0.083 120.166 120.500 -0.418 0.000 2.335 961 R HA 0.240 4.580 4.340 -0.000 0.000 0.223 961 R C -0.940 174.991 176.300 -0.616 0.000 0.940 961 R CA 0.295 56.084 56.100 -0.519 0.000 1.086 961 R CB -0.961 28.925 30.300 -0.690 0.000 1.073 961 R HN 0.664 nan 8.270 nan 0.000 0.504 962 Y N 0.085 120.349 120.300 -0.061 0.000 2.338 962 Y HA 0.206 4.756 4.550 -0.000 0.000 0.333 962 Y C 0.606 176.316 175.900 -0.316 0.000 0.968 962 Y CA -1.137 56.846 58.100 -0.195 0.000 1.123 962 Y CB 1.450 39.742 38.460 -0.279 0.000 1.165 962 Y HN -0.093 nan 8.280 nan 0.000 0.452 963 S N 1.702 117.088 115.700 -0.523 0.000 2.593 963 S HA 0.058 4.528 4.470 -0.000 0.000 0.269 963 S C 0.920 175.206 174.600 -0.524 0.000 1.334 963 S CA -0.740 56.823 58.200 -1.061 0.000 1.015 963 S CB 1.173 63.443 63.200 -1.550 0.000 0.912 963 S HN 0.725 nan 8.310 nan 0.000 0.541 964 Q N 0.856 120.365 119.800 -0.485 0.000 2.135 964 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 964 Q C 2.204 178.067 176.000 -0.229 0.000 0.981 964 Q CA 1.934 57.577 55.803 -0.266 0.000 0.856 964 Q CB -0.603 28.009 28.738 -0.210 0.000 0.902 964 Q HN 0.966 nan 8.270 nan 0.000 0.425 965 Q N 0.600 120.228 119.800 -0.288 0.000 2.030 965 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 965 Q C 2.186 178.080 176.000 -0.177 0.000 0.986 965 Q CA 1.681 57.366 55.803 -0.196 0.000 0.843 965 Q CB 0.004 28.626 28.738 -0.192 0.000 0.904 965 Q HN 0.409 nan 8.270 nan 0.000 0.420 966 Q N -0.045 119.625 119.800 -0.217 0.000 2.050 966 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 966 Q C 2.269 178.154 176.000 -0.192 0.000 0.980 966 Q CA 1.511 57.204 55.803 -0.184 0.000 0.840 966 Q CB -0.126 28.482 28.738 -0.215 0.000 0.898 966 Q HN 0.477 nan 8.270 nan 0.000 0.424 967 L N 0.153 121.254 121.223 -0.202 0.000 2.043 967 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 967 L C 2.716 179.450 176.870 -0.226 0.000 1.075 967 L CA 1.436 56.151 54.840 -0.209 0.000 0.752 967 L CB -0.441 41.527 42.059 -0.152 0.000 0.891 967 L HN 0.409 nan 8.230 nan 0.000 0.432 968 M N -0.413 119.082 119.600 -0.175 0.000 2.229 968 M HA -0.189 4.290 4.480 -0.000 0.000 0.264 968 M C 1.764 177.974 176.300 -0.151 0.000 1.063 968 M CA 1.751 56.958 55.300 -0.155 0.000 1.114 968 M CB 0.106 32.634 32.600 -0.120 0.000 1.387 968 M HN 0.161 nan 8.290 nan 0.000 0.420 969 E N -0.688 119.431 120.200 -0.135 0.000 2.472 969 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 969 E C -0.365 176.182 176.600 -0.089 0.000 1.033 969 E CA 0.139 56.484 56.400 -0.092 0.000 0.886 969 E CB 0.533 30.194 29.700 -0.065 0.000 0.944 969 E HN 0.347 nan 8.360 nan 0.000 0.492 970 T N 0.364 114.830 114.554 -0.147 0.000 2.767 970 T HA 0.084 4.434 4.350 -0.000 0.000 0.284 970 T C 1.201 175.799 174.700 -0.169 0.000 0.973 970 T CA -0.389 61.630 62.100 -0.134 0.000 0.996 970 T CB 1.679 70.450 68.868 -0.161 0.000 0.927 970 T HN 0.040 nan 8.240 nan 0.000 0.456 971 S N 2.384 118.077 115.700 -0.012 0.000 2.395 971 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 971 S C 0.386 175.023 174.600 0.062 0.000 1.027 971 S CA 0.564 58.833 58.200 0.114 0.000 0.965 971 S CB -0.332 63.068 63.200 0.333 0.000 0.812 971 S HN 0.762 nan 8.310 nan 0.000 0.482 972 H N 0.358 119.461 119.070 0.054 0.000 2.690 972 H HA 0.568 5.124 4.556 -0.000 0.000 0.368 972 H C 1.070 176.409 175.328 0.018 0.000 1.150 972 H CA -0.720 55.420 56.048 0.153 0.000 1.174 972 H CB 1.456 31.340 29.762 0.204 0.000 1.684 972 H HN 0.189 nan 8.280 nan 0.000 0.538 973 R N 1.252 121.885 120.500 0.223 0.000 2.120 973 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 973 R C 1.198 177.535 176.300 0.061 0.000 1.123 973 R CA 1.803 57.961 56.100 0.096 0.000 0.975 973 R CB -0.378 30.005 30.300 0.137 0.000 0.866 973 R HN 0.778 nan 8.270 nan 0.000 0.446 974 H N 0.877 119.967 119.070 0.032 0.000 2.547 974 H HA 0.080 4.636 4.556 -0.000 0.000 0.272 974 H C 1.391 176.657 175.328 -0.102 0.000 0.989 974 H CA 0.580 56.609 56.048 -0.032 0.000 1.214 974 H CB 0.006 29.752 29.762 -0.026 0.000 1.389 974 H HN 0.309 nan 8.280 nan 0.000 0.577 975 L N 0.954 121.824 121.223 -0.590 0.000 2.592 975 L HA 0.214 4.554 4.340 -0.000 0.000 0.227 975 L C 0.620 177.373 176.870 -0.196 0.000 1.127 975 L CA -0.134 54.421 54.840 -0.476 0.000 0.884 975 L CB 0.155 41.922 42.059 -0.487 0.000 1.065 975 L HN 0.059 nan 8.230 nan 0.000 0.457 976 L N 1.168 122.283 121.223 -0.181 0.000 2.426 976 L HA 0.112 4.452 4.340 -0.000 0.000 0.271 976 L C 0.217 177.093 176.870 0.010 0.000 1.169 976 L CA -0.065 54.668 54.840 -0.179 0.000 0.836 976 L CB 0.311 42.091 42.059 -0.465 0.000 1.112 976 L HN 0.197 nan 8.230 nan 0.000 0.465 977 H N 1.962 121.078 119.070 0.077 0.000 2.538 977 H HA 0.572 5.128 4.556 -0.000 0.000 0.353 977 H C -0.748 174.681 175.328 0.169 0.000 1.109 977 H CA -1.274 54.837 56.048 0.104 0.000 1.192 977 H CB 1.414 31.190 29.762 0.024 0.000 1.555 977 H HN 0.653 nan 8.280 nan 0.000 0.518 978 A N 3.979 126.859 122.820 0.100 0.000 2.484 978 A HA 0.093 4.413 4.320 -0.000 0.000 0.268 978 A C 0.394 177.968 177.584 -0.017 0.000 1.114 978 A CA -0.269 51.665 52.037 -0.172 0.000 0.780 978 A CB -0.306 18.589 19.000 -0.176 0.000 1.061 978 A HN 0.833 nan 8.150 nan 0.000 0.505 979 E N 1.472 121.634 120.200 -0.064 0.000 2.371 979 E HA 0.132 4.481 4.350 -0.000 0.000 0.257 979 E C 0.108 176.727 176.600 0.032 0.000 1.134 979 E CA -0.499 55.955 56.400 0.090 0.000 0.919 979 E CB 0.711 30.528 29.700 0.194 0.000 1.025 979 E HN 0.794 nan 8.360 nan 0.000 0.438 980 E N 0.481 120.708 120.200 0.044 0.000 2.452 980 E HA 0.107 4.456 4.350 -0.000 0.000 0.261 980 E C 0.466 177.019 176.600 -0.079 0.000 0.987 980 E CA 0.678 57.069 56.400 -0.015 0.000 0.926 980 E CB 0.276 29.969 29.700 -0.012 0.000 0.934 980 E HN 0.672 nan 8.360 nan 0.000 0.452 981 G N 3.262 112.015 108.800 -0.078 0.000 2.569 981 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.259 981 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.259 981 G C -0.547 174.282 174.900 -0.118 0.000 1.263 981 G CA -0.009 45.031 45.100 -0.100 0.000 0.928 981 G HN 0.636 nan 8.290 nan 0.000 0.572 982 T N 0.140 114.597 114.554 -0.161 0.000 2.879 982 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 982 T C -0.798 173.739 174.700 -0.271 0.000 0.993 982 T CA -0.182 61.829 62.100 -0.148 0.000 0.975 982 T CB 1.369 70.211 68.868 -0.043 0.000 0.981 982 T HN 0.561 nan 8.240 nan 0.000 0.439 983 W N 3.267 124.466 121.300 -0.167 0.000 2.345 983 W HA 0.574 5.234 4.660 -0.000 0.000 0.308 983 W C -0.204 176.180 176.519 -0.225 0.000 1.273 983 W CA -0.646 56.598 57.345 -0.168 0.000 1.243 983 W CB 0.621 29.996 29.460 -0.142 0.000 1.260 983 W HN 0.380 nan 8.180 nan 0.000 0.509 984 L N 5.854 127.059 121.223 -0.030 0.000 2.333 984 L HA 0.491 4.831 4.340 -0.000 0.000 0.280 984 L C -0.889 175.884 176.870 -0.160 0.000 1.004 984 L CA -0.412 54.298 54.840 -0.215 0.000 0.820 984 L CB 0.750 42.530 42.059 -0.464 0.000 1.247 984 L HN 0.309 nan 8.230 nan 0.000 0.416 985 N N 6.939 125.536 118.700 -0.172 0.000 2.446 985 N HA 0.471 5.211 4.740 -0.000 0.000 0.265 985 N C -1.148 174.222 175.510 -0.234 0.000 0.975 985 N CA -0.202 52.742 53.050 -0.177 0.000 0.928 985 N CB 2.190 40.600 38.487 -0.127 0.000 1.160 985 N HN 0.551 nan 8.380 nan 0.000 0.495 986 I N 1.831 122.214 120.570 -0.312 0.000 2.382 986 I HA 0.222 4.392 4.170 -0.000 0.000 0.286 986 I C -0.657 175.267 176.117 -0.321 0.000 1.002 986 I CA -0.678 60.408 61.300 -0.355 0.000 1.135 986 I CB 1.469 39.073 38.000 -0.659 0.000 1.288 986 I HN 0.166 nan 8.210 nan 0.000 0.448 987 D N 4.759 125.007 120.400 -0.253 0.000 2.278 987 D HA 0.257 4.897 4.640 -0.000 0.000 0.245 987 D C 0.932 176.937 176.300 -0.491 0.000 1.052 987 D CA -0.298 53.488 54.000 -0.356 0.000 0.834 987 D CB 2.407 43.106 40.800 -0.170 0.000 1.194 987 D HN 0.687 nan 8.370 nan 0.000 0.481 988 G N 1.121 109.333 108.800 -0.979 0.000 2.403 988 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.216 988 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.216 988 G C 0.103 174.317 174.900 -1.142 0.000 1.154 988 G CA 0.594 45.021 45.100 -1.121 0.000 0.784 988 G HN 0.386 nan 8.290 nan 0.000 0.538 989 F N -2.089 117.686 119.950 -0.292 0.000 2.591 989 F HA 0.586 5.113 4.527 -0.000 0.000 0.309 989 F C -0.551 175.155 175.800 -0.156 0.000 1.098 989 F CA -1.152 56.744 58.000 -0.173 0.000 0.937 989 F CB 2.096 40.932 39.000 -0.273 0.000 1.250 989 F HN 0.023 nan 8.300 nan 0.000 0.447 990 H N 1.985 121.068 119.070 0.022 0.000 2.771 990 H HA 0.537 5.093 4.556 -0.000 0.000 0.361 990 H C -0.853 174.501 175.328 0.044 0.000 1.108 990 H CA -0.879 55.157 56.048 -0.020 0.000 1.201 990 H CB 1.906 31.644 29.762 -0.040 0.000 1.681 990 H HN 0.774 nan 8.280 nan 0.000 0.534 991 M N 3.243 122.816 119.600 -0.045 0.000 2.240 991 M HA 0.296 4.776 4.480 -0.000 0.000 0.333 991 M C 0.495 176.910 176.300 0.191 0.000 1.110 991 M CA 0.174 55.500 55.300 0.043 0.000 1.173 991 M CB 0.396 32.923 32.600 -0.122 0.000 1.458 991 M HN 0.843 nan 8.290 nan 0.000 0.458 992 G N 2.756 111.647 108.800 0.151 0.000 2.690 992 G HA2 0.245 4.205 3.960 -0.000 0.000 0.239 992 G HA3 0.245 4.205 3.960 -0.000 0.000 0.239 992 G C 0.616 175.500 174.900 -0.027 0.000 1.233 992 G CA -0.335 44.791 45.100 0.043 0.000 0.847 992 G HN 0.969 nan 8.290 nan 0.000 0.588 993 I N -1.469 119.034 120.570 -0.112 0.000 3.462 993 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 993 I C 1.257 177.310 176.117 -0.107 0.000 1.236 993 I CA 0.463 61.661 61.300 -0.169 0.000 1.418 993 I CB -0.588 37.208 38.000 -0.340 0.000 1.102 993 I HN 0.937 nan 8.210 nan 0.000 0.441 994 G N 1.597 110.354 108.800 -0.070 0.000 2.645 994 G HA2 0.018 3.978 3.960 -0.000 0.000 0.246 994 G HA3 0.018 3.978 3.960 -0.000 0.000 0.246 994 G C 0.564 175.459 174.900 -0.009 0.000 1.322 994 G CA 0.166 45.260 45.100 -0.010 0.000 0.898 994 G HN 1.405 nan 8.290 nan 0.000 0.573 995 G N -2.349 106.460 108.800 0.014 0.000 2.559 995 G HA2 0.055 4.015 3.960 -0.000 0.000 0.202 995 G HA3 0.055 4.015 3.960 -0.000 0.000 0.202 995 G C 0.588 175.537 174.900 0.082 0.000 0.992 995 G CA 0.949 46.063 45.100 0.024 0.000 0.764 995 G HN 0.917 nan 8.290 nan 0.000 0.525 996 D N 1.215 121.680 120.400 0.108 0.000 2.158 996 D HA 0.082 4.722 4.640 -0.000 0.000 0.197 996 D C 1.090 177.415 176.300 0.041 0.000 0.995 996 D CA 2.119 56.243 54.000 0.205 0.000 0.846 996 D CB 0.156 41.080 40.800 0.208 0.000 0.941 996 D HN 0.790 nan 8.370 nan 0.000 0.456 997 D N -3.116 117.084 120.400 -0.333 0.000 2.626 997 D HA 0.381 5.021 4.640 -0.000 0.000 0.278 997 D C -0.842 174.932 176.300 -0.876 0.000 1.211 997 D CA -0.764 52.605 54.000 -1.052 0.000 0.903 997 D CB 1.034 40.675 40.800 -1.931 0.000 1.408 997 D HN -0.308 nan 8.370 nan 0.000 0.454 998 S N -0.561 114.470 115.700 -1.114 0.000 2.581 998 S HA 0.263 4.732 4.470 -0.000 0.000 0.245 998 S C -0.721 173.917 174.600 0.063 0.000 1.115 998 S CA -0.716 57.287 58.200 -0.328 0.000 1.093 998 S CB -0.600 62.562 63.200 -0.062 0.000 0.853 998 S HN 0.638 nan 8.310 nan 0.000 0.479 999 W N 0.388 121.642 121.300 -0.077 0.000 1.807 999 W HA 0.478 5.138 4.660 -0.000 0.000 0.251 999 W C -0.033 176.450 176.519 -0.060 0.000 0.848 999 W CA -0.362 56.953 57.345 -0.049 0.000 1.157 999 W CB -0.472 28.905 29.460 -0.139 0.000 0.992 999 W HN 0.199 nan 8.180 nan 0.000 0.506 1000 S N -0.643 114.942 115.700 -0.191 0.000 2.556 1000 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 1000 S C -3.055 171.476 174.600 -0.115 0.000 1.135 1000 S CA -1.731 56.403 58.200 -0.110 0.000 0.858 1000 S CB 1.813 64.970 63.200 -0.071 0.000 1.114 1000 S HN -0.215 nan 8.310 nan 0.000 0.468 1001 P HA 0.153 nan 4.420 nan 0.000 0.261 1001 P C 0.376 177.711 177.300 0.059 0.000 1.183 1001 P CA 0.071 63.172 63.100 0.001 0.000 0.761 1001 P CB 0.559 32.142 31.700 -0.194 0.000 0.785 1002 S N 0.680 116.453 115.700 0.121 0.000 2.733 1002 S HA 0.128 4.598 4.470 -0.000 0.000 0.247 1002 S C 0.236 174.918 174.600 0.136 0.000 1.043 1002 S CA -0.305 57.942 58.200 0.079 0.000 1.066 1002 S CB -0.242 62.954 63.200 -0.008 0.000 1.045 1002 S HN 0.117 nan 8.310 nan 0.000 0.586 1003 V N 3.017 123.059 119.914 0.213 0.000 2.439 1003 V HA 0.343 4.463 4.120 -0.000 0.000 0.271 1003 V C 0.800 177.050 176.094 0.260 0.000 1.040 1003 V CA -0.194 62.225 62.300 0.199 0.000 1.002 1003 V CB 0.787 32.680 31.823 0.117 0.000 1.000 1003 V HN 0.515 nan 8.190 nan 0.000 0.477 1004 S N 4.158 120.022 115.700 0.274 0.000 2.572 1004 S HA 0.315 4.785 4.470 -0.000 0.000 0.279 1004 S C 1.577 176.324 174.600 0.246 0.000 1.341 1004 S CA 0.052 58.408 58.200 0.259 0.000 1.043 1004 S CB 1.154 64.530 63.200 0.292 0.000 0.887 1004 S HN 0.991 nan 8.310 nan 0.000 0.516 1005 A N 3.511 126.429 122.820 0.164 0.000 1.927 1005 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 1005 A C 2.023 179.637 177.584 0.050 0.000 1.185 1005 A CA 2.016 54.130 52.037 0.129 0.000 0.639 1005 A CB -0.730 18.323 19.000 0.089 0.000 0.820 1005 A HN 0.965 nan 8.150 nan 0.000 0.451 1006 E N -0.980 119.186 120.200 -0.057 0.000 2.409 1006 E HA -0.115 4.234 4.350 -0.000 0.000 0.198 1006 E C 0.721 177.069 176.600 -0.420 0.000 1.024 1006 E CA 0.781 57.019 56.400 -0.269 0.000 0.861 1006 E CB -0.394 29.057 29.700 -0.414 0.000 0.788 1006 E HN 0.689 nan 8.360 nan 0.000 0.521 1007 F N 1.120 121.119 119.950 0.081 0.000 2.654 1007 F HA 0.289 4.816 4.527 -0.000 0.000 0.303 1007 F C 0.784 176.617 175.800 0.055 0.000 1.099 1007 F CA -0.551 57.497 58.000 0.080 0.000 1.270 1007 F CB 0.572 39.621 39.000 0.082 0.000 1.024 1007 F HN -0.199 nan 8.300 nan 0.000 0.548 1008 Q N 1.213 121.114 119.800 0.168 0.000 2.235 1008 Q HA 0.421 4.761 4.340 -0.000 0.000 0.250 1008 Q C -0.246 175.769 176.000 0.024 0.000 0.909 1008 Q CA -0.551 55.318 55.803 0.110 0.000 0.910 1008 Q CB 1.998 30.875 28.738 0.232 0.000 1.223 1008 Q HN 0.258 nan 8.270 nan 0.000 0.432 1009 L N 2.481 123.705 121.223 0.002 0.000 2.387 1009 L HA 0.108 4.447 4.340 -0.000 0.000 0.267 1009 L C 0.593 177.438 176.870 -0.041 0.000 1.197 1009 L CA -0.019 54.810 54.840 -0.018 0.000 1.070 1009 L CB -0.264 41.691 42.059 -0.173 0.000 1.349 1009 L HN 0.710 nan 8.230 nan 0.000 0.422 1010 S N -1.029 114.584 115.700 -0.146 0.000 2.629 1010 S HA 0.156 4.626 4.470 -0.000 0.000 0.236 1010 S C 1.549 176.087 174.600 -0.103 0.000 1.010 1010 S CA 0.191 58.138 58.200 -0.422 0.000 0.981 1010 S CB 0.777 63.571 63.200 -0.677 0.000 0.919 1010 S HN 0.490 nan 8.310 nan 0.000 0.514 1011 A N 1.409 124.189 122.820 -0.065 0.000 2.168 1011 A HA 0.485 4.805 4.320 -0.000 0.000 0.215 1011 A C 2.089 179.514 177.584 -0.265 0.000 1.152 1011 A CA 1.098 52.955 52.037 -0.300 0.000 0.716 1011 A CB -1.273 17.319 19.000 -0.681 0.000 0.794 1011 A HN 1.474 nan 8.150 nan 0.000 0.465 1012 G N -1.079 107.676 108.800 -0.074 0.000 2.708 1012 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.229 1012 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.229 1012 G C 0.485 175.388 174.900 0.006 0.000 1.236 1012 G CA 0.558 45.672 45.100 0.024 0.000 0.749 1012 G HN 0.686 nan 8.290 nan 0.000 0.515 1013 R N -0.500 119.880 120.500 -0.200 0.000 2.561 1013 R HA 0.685 5.024 4.340 -0.000 0.000 0.297 1013 R C -1.516 174.554 176.300 -0.384 0.000 0.969 1013 R CA -0.596 55.429 56.100 -0.125 0.000 0.879 1013 R CB 1.489 31.753 30.300 -0.060 0.000 1.178 1013 R HN 0.260 nan 8.270 nan 0.000 0.445 1014 Y N 0.401 120.713 120.300 0.020 0.000 2.477 1014 Y HA 0.321 4.871 4.550 -0.000 0.000 0.347 1014 Y C -0.442 175.625 175.900 0.279 0.000 0.981 1014 Y CA -0.852 57.241 58.100 -0.012 0.000 1.033 1014 Y CB 2.149 40.475 38.460 -0.222 0.000 1.245 1014 Y HN 0.585 nan 8.280 nan 0.000 0.455 1015 H N 3.191 122.548 119.070 0.477 0.000 2.589 1015 H HA 0.595 5.151 4.556 -0.000 0.000 0.351 1015 H C -1.693 174.009 175.328 0.622 0.000 1.074 1015 H CA -0.870 55.430 56.048 0.420 0.000 1.203 1015 H CB 1.032 30.937 29.762 0.238 0.000 1.558 1015 H HN 0.587 nan 8.280 nan 0.000 0.522 1016 Y N 1.642 121.772 120.300 -0.283 0.000 2.625 1016 Y HA 0.482 5.032 4.550 -0.000 0.000 0.338 1016 Y C -1.926 173.752 175.900 -0.371 0.000 1.123 1016 Y CA -1.169 56.775 58.100 -0.259 0.000 1.046 1016 Y CB 1.498 39.904 38.460 -0.090 0.000 1.299 1016 Y HN 0.719 nan 8.280 nan 0.000 0.464 1017 Q N 2.672 122.436 119.800 -0.060 0.000 2.284 1017 Q HA 0.731 5.071 4.340 -0.000 0.000 0.269 1017 Q C -2.149 173.918 176.000 0.112 0.000 1.026 1017 Q CA -0.957 54.816 55.803 -0.050 0.000 0.831 1017 Q CB 3.014 31.755 28.738 0.006 0.000 1.322 1017 Q HN 0.834 nan 8.270 nan 0.000 0.419 1018 L N 1.266 122.545 121.223 0.093 0.000 2.341 1018 L HA 0.773 5.113 4.340 -0.000 0.000 0.267 1018 L C -0.740 176.232 176.870 0.169 0.000 1.009 1018 L CA -1.400 53.529 54.840 0.148 0.000 0.819 1018 L CB 2.412 44.537 42.059 0.111 0.000 1.323 1018 L HN 0.447 nan 8.230 nan 0.000 0.425 1019 V N 0.684 120.719 119.914 0.201 0.000 2.409 1019 V HA 0.349 4.469 4.120 -0.000 0.000 0.291 1019 V C -1.146 175.097 176.094 0.248 0.000 1.020 1019 V CA -0.406 62.020 62.300 0.209 0.000 0.848 1019 V CB 1.885 33.808 31.823 0.167 0.000 0.990 1019 V HN 0.590 nan 8.190 nan 0.000 0.430 1020 W N 7.126 128.472 121.300 0.076 0.000 2.376 1020 W HA 0.700 5.360 4.660 -0.000 0.000 0.312 1020 W C -0.233 176.287 176.519 0.001 0.000 1.060 1020 W CA -1.124 56.195 57.345 -0.044 0.000 1.221 1020 W CB 1.388 30.882 29.460 0.057 0.000 1.281 1020 W HN 0.845 nan 8.180 nan 0.000 0.456 1021 C N 3.867 123.393 119.300 0.377 0.000 3.291 1021 C HA 0.650 5.110 4.460 -0.000 0.000 0.316 1021 C C -0.641 174.456 174.990 0.179 0.000 1.391 1021 C CA -0.924 58.251 59.018 0.261 0.000 1.394 1021 C CB 1.752 29.588 27.740 0.161 0.000 1.744 1021 C HN 0.686 nan 8.230 nan 0.000 0.461 1022 Q N 1.501 121.367 119.800 0.109 0.000 2.256 1022 Q HA 0.572 4.912 4.340 -0.000 0.000 0.257 1022 Q C -0.409 175.590 176.000 -0.001 0.000 0.936 1022 Q CA -0.190 55.618 55.803 0.008 0.000 0.903 1022 Q CB 1.288 30.003 28.738 -0.039 0.000 1.263 1022 Q HN 0.881 nan 8.270 nan 0.000 0.440 1023 K N 0.000 120.379 120.400 -0.034 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 1023 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543