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 3e1f_1_2 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 ANIETEGMVP 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 0.000 176.123 176.300 -0.296 0.000 0.893 13 R CA 0.000 55.988 56.100 -0.187 0.000 0.921 13 R CB 0.000 30.197 30.300 -0.172 0.000 0.687 14 R N 1.502 121.726 120.500 -0.461 0.000 2.763 14 R HA -0.096 4.244 4.340 -0.000 0.000 0.348 14 R C -0.122 175.717 176.300 -0.768 0.000 0.826 14 R CA 0.465 55.958 56.100 -1.012 0.000 1.109 14 R CB 0.206 29.856 30.300 -1.083 0.000 0.889 14 R HN 0.379 nan 8.270 nan 0.000 0.402 15 D N 2.356 122.389 120.400 -0.612 0.000 2.346 15 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 15 D C 1.299 177.486 176.300 -0.188 0.000 1.001 15 D CA 0.644 54.396 54.000 -0.413 0.000 0.871 15 D CB 0.132 40.529 40.800 -0.672 0.000 0.943 15 D HN 0.730 nan 8.370 nan 0.000 0.518 16 W N 1.583 122.866 121.300 -0.029 0.000 3.180 16 W HA 0.228 4.887 4.660 -0.000 0.000 0.254 16 W C 0.566 177.163 176.519 0.129 0.000 1.318 16 W CA -0.147 57.292 57.345 0.157 0.000 1.608 16 W CB -0.133 29.457 29.460 0.218 0.000 1.124 16 W HN -0.214 nan 8.180 nan 0.000 0.694 17 E N 1.019 121.083 120.200 -0.226 0.000 2.995 17 E HA 0.042 4.391 4.350 -0.000 0.000 0.203 17 E C -0.761 175.689 176.600 -0.251 0.000 0.980 17 E CA -0.210 56.085 56.400 -0.175 0.000 1.172 17 E CB -0.142 29.428 29.700 -0.217 0.000 1.088 17 E HN 0.075 nan 8.360 nan 0.000 0.463 18 N N 1.228 119.814 118.700 -0.191 0.000 2.581 18 N HA 0.125 4.865 4.740 -0.000 0.000 0.279 18 N C -2.232 173.138 175.510 -0.234 0.000 1.124 18 N CA -1.928 50.977 53.050 -0.241 0.000 0.833 18 N CB 1.425 39.782 38.487 -0.216 0.000 1.338 18 N HN -0.202 nan 8.380 nan 0.000 0.533 19 P HA 0.030 nan 4.420 nan 0.000 0.236 19 P C 0.953 178.010 177.300 -0.405 0.000 1.172 19 P CA 0.597 63.362 63.100 -0.559 0.000 0.759 19 P CB 0.145 30.988 31.700 -1.427 0.000 0.843 20 G N -0.196 108.420 108.800 -0.308 0.000 2.551 20 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 20 G C 0.425 175.252 174.900 -0.121 0.000 1.137 20 G CA 0.156 45.128 45.100 -0.213 0.000 0.798 20 G HN 0.207 nan 8.290 nan 0.000 0.536 21 V N 1.856 121.720 119.914 -0.084 0.000 2.313 21 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 21 V C 0.833 176.990 176.094 0.104 0.000 1.017 21 V CA 0.219 62.525 62.300 0.010 0.000 0.823 21 V CB 1.243 33.067 31.823 0.001 0.000 1.010 21 V HN 0.344 nan 8.190 nan 0.000 0.443 22 T N 0.715 115.318 114.554 0.081 0.000 3.044 22 T HA 0.378 4.728 4.350 -0.000 0.000 0.260 22 T C 0.203 174.912 174.700 0.014 0.000 1.019 22 T CA -0.036 62.101 62.100 0.062 0.000 0.921 22 T CB 0.339 69.205 68.868 -0.002 0.000 1.053 22 T HN 0.683 nan 8.240 nan 0.000 0.533 23 Q N 0.360 120.220 119.800 0.100 0.000 2.776 23 Q HA 0.661 5.001 4.340 -0.000 0.000 0.289 23 Q C -2.354 173.764 176.000 0.197 0.000 0.912 23 Q CA -1.032 54.814 55.803 0.071 0.000 0.789 23 Q CB 0.754 29.472 28.738 -0.033 0.000 1.498 23 Q HN 0.212 nan 8.270 nan 0.000 0.408 24 L N 2.003 123.367 121.223 0.236 0.000 2.541 24 L HA 0.567 4.907 4.340 -0.000 0.000 0.266 24 L C -0.711 176.288 176.870 0.215 0.000 0.966 24 L CA -0.699 54.303 54.840 0.270 0.000 0.871 24 L CB 1.722 44.059 42.059 0.465 0.000 1.232 24 L HN 0.856 nan 8.230 nan 0.000 0.408 25 N N 0.941 119.727 118.700 0.144 0.000 2.850 25 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 25 N C 0.228 175.764 175.510 0.043 0.000 1.060 25 N CA 0.777 53.894 53.050 0.111 0.000 0.825 25 N CB -0.646 37.891 38.487 0.083 0.000 1.132 25 N HN 0.653 nan 8.380 nan 0.000 0.564 26 R N 1.163 121.592 120.500 -0.119 0.000 2.390 26 R HA 0.381 4.721 4.340 -0.000 0.000 0.291 26 R C 0.639 176.740 176.300 -0.331 0.000 1.070 26 R CA -0.334 55.426 56.100 -0.566 0.000 1.014 26 R CB 0.551 30.546 30.300 -0.508 0.000 1.007 26 R HN 0.112 nan 8.270 nan 0.000 0.466 27 L N 2.797 123.806 121.223 -0.357 0.000 2.476 27 L HA 0.295 4.635 4.340 -0.000 0.000 0.255 27 L C 0.692 177.491 176.870 -0.119 0.000 1.218 27 L CA -0.616 54.133 54.840 -0.152 0.000 0.819 27 L CB 0.539 42.549 42.059 -0.081 0.000 1.119 27 L HN 0.737 nan 8.230 nan 0.000 0.485 28 A N 0.976 123.779 122.820 -0.028 0.000 2.445 28 A HA 0.504 4.823 4.320 -0.000 0.000 0.242 28 A C 0.350 177.915 177.584 -0.033 0.000 1.075 28 A CA -0.048 51.981 52.037 -0.014 0.000 0.777 28 A CB 0.224 19.248 19.000 0.040 0.000 1.013 28 A HN 0.796 nan 8.150 nan 0.000 0.493 29 A N 1.514 124.266 122.820 -0.115 0.000 2.386 29 A HA 0.635 4.955 4.320 -0.000 0.000 0.246 29 A C 0.183 177.634 177.584 -0.222 0.000 1.089 29 A CA 0.737 52.620 52.037 -0.258 0.000 0.790 29 A CB -0.144 18.740 19.000 -0.194 0.000 1.042 29 A HN 2.116 nan 8.150 nan 0.000 0.497 30 H N -3.186 115.741 119.070 -0.239 0.000 2.951 30 H HA 0.545 5.100 4.556 -0.000 0.000 0.292 30 H C -3.480 171.545 175.328 -0.505 0.000 1.412 30 H CA -1.690 54.145 56.048 -0.355 0.000 1.206 30 H CB -0.302 29.193 29.762 -0.445 0.000 1.862 30 H HN 0.377 nan 8.280 nan 0.000 0.502 31 P HA 0.156 nan 4.420 nan 0.000 0.270 31 P C -2.526 174.561 177.300 -0.356 0.000 1.227 31 P CA -0.949 61.927 63.100 -0.373 0.000 0.788 31 P CB -0.192 31.155 31.700 -0.588 0.000 0.926 32 P HA 0.037 nan 4.420 nan 0.000 0.263 32 P C -0.817 176.611 177.300 0.214 0.000 1.195 32 P CA 1.002 64.099 63.100 -0.005 0.000 0.762 32 P CB -0.044 31.701 31.700 0.076 0.000 0.799 33 F N 1.997 122.019 119.950 0.120 0.000 2.541 33 F HA 0.660 5.186 4.527 -0.000 0.000 0.331 33 F C 1.071 176.780 175.800 -0.152 0.000 1.057 33 F CA -1.286 56.722 58.000 0.015 0.000 0.975 33 F CB 1.060 40.035 39.000 -0.042 0.000 1.246 33 F HN 0.296 nan 8.300 nan 0.000 0.484 34 A N -0.257 122.477 122.820 -0.143 0.000 2.644 34 A HA 0.312 4.632 4.320 -0.000 0.000 0.193 34 A C 0.579 177.850 177.584 -0.521 0.000 1.464 34 A CA 0.618 52.336 52.037 -0.532 0.000 1.095 34 A CB -0.466 17.738 19.000 -1.326 0.000 1.405 34 A HN 0.945 nan 8.150 nan 0.000 0.558 35 S N 0.472 115.970 115.700 -0.337 0.000 3.524 35 S HA -0.153 4.317 4.470 -0.000 0.000 0.377 35 S C -0.036 174.473 174.600 -0.152 0.000 0.949 35 S CA 0.505 58.573 58.200 -0.220 0.000 1.264 35 S CB -1.636 61.450 63.200 -0.190 0.000 0.918 35 S HN 0.462 nan 8.310 nan 0.000 0.517 36 W N 2.020 123.292 121.300 -0.046 0.000 2.158 36 W HA 0.280 4.939 4.660 -0.000 0.000 0.339 36 W C 1.370 177.859 176.519 -0.050 0.000 1.294 36 W CA -0.618 56.704 57.345 -0.037 0.000 1.231 36 W CB 0.296 29.734 29.460 -0.036 0.000 1.143 36 W HN 0.371 nan 8.180 nan 0.000 0.571 37 R N 1.551 122.170 120.500 0.198 0.000 2.509 37 R HA 0.083 4.423 4.340 -0.000 0.000 0.300 37 R C -0.235 176.111 176.300 0.078 0.000 0.985 37 R CA -0.097 56.059 56.100 0.092 0.000 1.092 37 R CB -0.116 30.206 30.300 0.037 0.000 1.237 37 R HN 0.480 nan 8.270 nan 0.000 0.546 38 N N -0.139 118.621 118.700 0.100 0.000 2.500 38 N HA 0.089 4.829 4.740 -0.000 0.000 0.291 38 N C -0.125 175.344 175.510 -0.068 0.000 1.092 38 N CA 0.016 53.074 53.050 0.012 0.000 0.890 38 N CB 1.425 39.915 38.487 0.005 0.000 1.466 38 N HN -0.262 nan 8.380 nan 0.000 0.507 39 S N 1.988 117.634 115.700 -0.090 0.000 2.400 39 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 39 S C 1.459 175.881 174.600 -0.297 0.000 1.025 39 S CA 1.223 59.325 58.200 -0.163 0.000 0.993 39 S CB -0.144 62.990 63.200 -0.110 0.000 0.808 39 S HN 0.721 nan 8.310 nan 0.000 0.478 40 E N 1.526 121.570 120.200 -0.260 0.000 2.106 40 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 40 E C 1.922 178.290 176.600 -0.386 0.000 0.984 40 E CA 1.094 57.304 56.400 -0.317 0.000 0.806 40 E CB -0.175 29.396 29.700 -0.215 0.000 0.750 40 E HN 0.306 nan 8.360 nan 0.000 0.458 41 E N 0.077 120.050 120.200 -0.379 0.000 2.106 41 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 41 E C 1.949 177.900 176.600 -1.081 0.000 0.984 41 E CA 1.073 57.178 56.400 -0.493 0.000 0.806 41 E CB -0.433 29.112 29.700 -0.257 0.000 0.750 41 E HN 0.363 nan 8.360 nan 0.000 0.458 42 A N 1.561 123.594 122.820 -1.312 0.000 1.877 42 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 42 A C 2.248 179.252 177.584 -0.967 0.000 1.186 42 A CA 1.692 52.706 52.037 -1.705 0.000 0.620 42 A CB -0.524 17.995 19.000 -0.801 0.000 0.822 42 A HN 0.142 nan 8.150 nan 0.000 0.443 43 R N -0.232 119.870 120.500 -0.663 0.000 2.091 43 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 43 R C 1.984 178.025 176.300 -0.433 0.000 1.136 43 R CA 2.106 57.870 56.100 -0.560 0.000 0.959 43 R CB -0.481 29.341 30.300 -0.797 0.000 0.856 43 R HN 0.634 nan 8.270 nan 0.000 0.437 44 T N -2.540 111.761 114.554 -0.422 0.000 3.129 44 T HA 0.007 4.357 4.350 -0.000 0.000 0.251 44 T C 0.293 174.878 174.700 -0.190 0.000 1.117 44 T CA 0.540 62.481 62.100 -0.266 0.000 1.034 44 T CB -0.072 68.662 68.868 -0.223 0.000 0.968 44 T HN 0.394 nan 8.240 nan 0.000 0.526 45 D N 1.040 121.271 120.400 -0.281 0.000 2.708 45 D HA -0.174 4.465 4.640 -0.000 0.000 0.236 45 D C -0.110 176.266 176.300 0.126 0.000 1.146 45 D CA 0.487 54.455 54.000 -0.054 0.000 0.662 45 D CB -0.966 39.875 40.800 0.068 0.000 1.059 45 D HN 0.591 nan 8.370 nan 0.000 0.428 46 R N 0.077 120.617 120.500 0.066 0.000 2.528 46 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 46 R C -2.077 174.469 176.300 0.409 0.000 1.056 46 R CA -1.650 54.553 56.100 0.171 0.000 1.117 46 R CB 0.350 30.687 30.300 0.062 0.000 1.085 46 R HN 0.081 nan 8.270 nan 0.000 0.530 47 P HA -0.127 nan 4.420 nan 0.000 0.268 47 P C -0.696 176.792 177.300 0.313 0.000 1.189 47 P CA 0.555 63.806 63.100 0.252 0.000 0.771 47 P CB 0.510 32.305 31.700 0.158 0.000 0.822 48 S N 1.055 116.826 115.700 0.118 0.000 2.473 48 S HA 0.146 4.615 4.470 -0.000 0.000 0.307 48 S C 0.885 175.508 174.600 0.038 0.000 1.094 48 S CA -0.576 57.619 58.200 -0.009 0.000 1.070 48 S CB 0.571 63.473 63.200 -0.496 0.000 1.019 48 S HN 0.229 nan 8.310 nan 0.000 0.480 49 Q N 2.677 122.527 119.800 0.083 0.000 2.226 49 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 49 Q C 0.892 176.991 176.000 0.166 0.000 0.975 49 Q CA 1.384 57.261 55.803 0.123 0.000 0.866 49 Q CB -0.165 28.640 28.738 0.112 0.000 0.915 49 Q HN 0.702 nan 8.270 nan 0.000 0.440 50 Q N -0.164 119.650 119.800 0.023 0.000 2.322 50 Q HA 0.115 4.455 4.340 -0.000 0.000 0.203 50 Q C -0.345 175.686 176.000 0.051 0.000 0.923 50 Q CA 0.139 55.894 55.803 -0.080 0.000 0.949 50 Q CB 0.300 28.904 28.738 -0.223 0.000 1.039 50 Q HN 0.001 nan 8.270 nan 0.000 0.496 51 L N 0.543 121.838 121.223 0.121 0.000 2.454 51 L HA 0.415 4.755 4.340 -0.000 0.000 0.258 51 L C -1.146 175.814 176.870 0.149 0.000 1.025 51 L CA -0.401 54.510 54.840 0.118 0.000 0.901 51 L CB 0.769 42.810 42.059 -0.030 0.000 1.210 51 L HN -0.106 nan 8.230 nan 0.000 0.457 52 R N 1.462 122.091 120.500 0.215 0.000 2.500 52 R HA 0.629 4.969 4.340 -0.000 0.000 0.277 52 R C -0.260 176.062 176.300 0.037 0.000 1.026 52 R CA -0.417 55.743 56.100 0.099 0.000 1.058 52 R CB 1.629 31.941 30.300 0.021 0.000 1.078 52 R HN 0.603 nan 8.270 nan 0.000 0.509 53 S N 1.950 117.659 115.700 0.015 0.000 2.462 53 S HA 0.296 4.765 4.470 -0.000 0.000 0.294 53 S C 0.449 175.040 174.600 -0.015 0.000 1.144 53 S CA -0.744 57.456 58.200 -0.001 0.000 1.088 53 S CB 0.607 63.820 63.200 0.022 0.000 1.009 53 S HN 0.548 nan 8.310 nan 0.000 0.484 54 L N 3.644 124.852 121.223 -0.025 0.000 2.741 54 L HA 0.288 4.628 4.340 -0.000 0.000 0.237 54 L C 0.013 177.028 176.870 0.241 0.000 1.178 54 L CA -0.303 54.541 54.840 0.006 0.000 0.973 54 L CB -0.620 41.379 42.059 -0.100 0.000 1.255 54 L HN 0.535 nan 8.230 nan 0.000 0.498 55 N N 0.713 119.504 118.700 0.152 0.000 2.482 55 N HA 0.555 5.295 4.740 -0.000 0.000 0.260 55 N C 0.642 176.290 175.510 0.230 0.000 1.236 55 N CA 0.931 54.085 53.050 0.173 0.000 0.938 55 N CB 1.168 39.688 38.487 0.056 0.000 1.128 55 N HN 0.250 nan 8.380 nan 0.000 0.448 56 G N 0.011 108.963 108.800 0.254 0.000 2.292 56 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.194 56 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.194 56 G C -1.563 173.544 174.900 0.345 0.000 1.329 56 G CA -0.786 44.456 45.100 0.238 0.000 1.100 56 G HN 0.480 nan 8.290 nan 0.000 0.470 57 E N 0.032 120.417 120.200 0.308 0.000 2.200 57 E HA 0.500 4.850 4.350 -0.000 0.000 0.283 57 E C -1.047 175.822 176.600 0.448 0.000 1.015 57 E CA -0.278 56.315 56.400 0.321 0.000 0.819 57 E CB 1.318 31.126 29.700 0.179 0.000 1.081 57 E HN 0.357 nan 8.360 nan 0.000 0.397 58 W N 1.391 122.785 121.300 0.157 0.000 2.894 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.345 58 W C 0.020 176.674 176.519 0.224 0.000 1.152 58 W CA -0.766 56.705 57.345 0.210 0.000 1.089 58 W CB 0.781 30.421 29.460 0.301 0.000 1.454 58 W HN 0.160 nan 8.180 nan 0.000 0.589 59 R N 1.644 122.439 120.500 0.492 0.000 2.294 59 R HA 0.515 4.855 4.340 -0.000 0.000 0.319 59 R C -1.468 175.088 176.300 0.426 0.000 0.984 59 R CA -0.801 55.519 56.100 0.365 0.000 0.861 59 R CB 0.955 31.416 30.300 0.270 0.000 1.104 59 R HN 0.429 nan 8.270 nan 0.000 0.451 60 F N 0.942 120.938 119.950 0.077 0.000 2.565 60 F HA 0.679 5.205 4.527 -0.000 0.000 0.313 60 F C -1.388 174.258 175.800 -0.256 0.000 1.091 60 F CA -0.741 57.161 58.000 -0.163 0.000 0.915 60 F CB 2.041 40.833 39.000 -0.346 0.000 1.208 60 F HN 0.601 nan 8.300 nan 0.000 0.453 61 A N 4.693 126.688 122.820 -1.375 0.000 2.459 61 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 61 A C -2.286 174.386 177.584 -1.521 0.000 1.039 61 A CA -0.519 50.846 52.037 -1.121 0.000 0.698 61 A CB 0.521 19.203 19.000 -0.531 0.000 1.261 61 A HN 0.954 nan 8.150 nan 0.000 0.405 62 W N 2.465 122.890 121.300 -1.460 0.000 2.381 62 W HA 0.744 5.404 4.660 -0.000 0.000 0.329 62 W C -1.560 174.342 176.519 -1.027 0.000 1.157 62 W CA -0.086 56.587 57.345 -1.120 0.000 1.240 62 W CB 0.928 29.959 29.460 -0.714 0.000 1.199 62 W HN 0.504 nan 8.180 nan 0.000 0.579 63 F N 5.146 124.377 119.950 -1.198 0.000 2.613 63 F HA 0.320 4.847 4.527 -0.000 0.000 0.310 63 F C -1.295 173.598 175.800 -1.512 0.000 1.085 63 F CA -1.953 55.500 58.000 -0.911 0.000 0.945 63 F CB 2.049 40.648 39.000 -0.668 0.000 1.298 63 F HN 0.208 nan 8.300 nan 0.000 0.455 64 P HA 0.114 nan 4.420 nan 0.000 0.225 64 P C -0.320 176.866 177.300 -0.190 0.000 1.156 64 P CA 0.900 63.828 63.100 -0.287 0.000 0.787 64 P CB 0.914 32.682 31.700 0.114 0.000 0.802 65 A N -0.404 122.300 122.820 -0.192 0.000 2.597 65 A HA 0.493 4.813 4.320 -0.000 0.000 0.292 65 A C -2.437 175.029 177.584 -0.197 0.000 1.057 65 A CA -0.965 50.992 52.037 -0.134 0.000 0.674 65 A CB 0.425 19.417 19.000 -0.013 0.000 1.278 65 A HN -0.269 nan 8.150 nan 0.000 0.416 66 P HA -0.143 nan 4.420 nan 0.000 0.218 66 P C 0.592 177.784 177.300 -0.180 0.000 1.149 66 P CA 1.533 64.479 63.100 -0.256 0.000 0.817 66 P CB 0.196 31.704 31.700 -0.320 0.000 0.785 67 E N 0.164 120.322 120.200 -0.069 0.000 2.463 67 E HA -0.031 4.319 4.350 -0.000 0.000 0.201 67 E C 1.904 178.449 176.600 -0.092 0.000 1.045 67 E CA 1.038 57.416 56.400 -0.037 0.000 0.872 67 E CB -0.740 28.978 29.700 0.030 0.000 0.797 67 E HN 0.302 nan 8.360 nan 0.000 0.538 68 A N 0.190 122.918 122.820 -0.154 0.000 2.308 68 A HA 0.139 4.458 4.320 -0.000 0.000 0.217 68 A C 0.617 177.948 177.584 -0.421 0.000 1.216 68 A CA -0.268 51.688 52.037 -0.135 0.000 0.864 68 A CB 0.468 19.490 19.000 0.037 0.000 0.902 68 A HN 0.052 nan 8.150 nan 0.000 0.499 69 V N 3.882 123.395 119.914 -0.667 0.000 2.415 69 V HA 0.164 4.283 4.120 -0.000 0.000 0.267 69 V C -1.943 173.848 176.094 -0.505 0.000 1.042 69 V CA -1.347 60.344 62.300 -1.014 0.000 1.000 69 V CB 0.299 31.583 31.823 -0.898 0.000 1.015 69 V HN 0.404 nan 8.190 nan 0.000 0.478 70 P HA 0.076 nan 4.420 nan 0.000 0.267 70 P C 0.651 177.902 177.300 -0.082 0.000 1.205 70 P CA -0.069 62.942 63.100 -0.150 0.000 0.765 70 P CB 1.248 32.913 31.700 -0.058 0.000 0.828 71 E N 4.220 124.379 120.200 -0.068 0.000 2.086 71 E HA -0.284 4.066 4.350 -0.000 0.000 0.200 71 E C 1.706 178.282 176.600 -0.040 0.000 1.012 71 E CA 2.620 58.981 56.400 -0.065 0.000 0.812 71 E CB -1.129 28.536 29.700 -0.058 0.000 0.743 71 E HN 0.453 nan 8.360 nan 0.000 0.453 72 S N -0.460 115.233 115.700 -0.010 0.000 2.400 72 S HA -0.288 4.182 4.470 -0.000 0.000 0.234 72 S C 1.913 176.525 174.600 0.019 0.000 1.049 72 S CA 1.380 59.581 58.200 0.002 0.000 1.039 72 S CB -1.521 61.693 63.200 0.024 0.000 0.856 72 S HN 0.631 nan 8.310 nan 0.000 0.465 73 W N 2.421 123.634 121.300 -0.144 0.000 2.325 73 W HA -0.087 4.572 4.660 -0.000 0.000 0.299 73 W C 1.872 178.285 176.519 -0.177 0.000 1.215 73 W CA 1.381 58.637 57.345 -0.147 0.000 1.244 73 W CB -0.556 28.785 29.460 -0.198 0.000 1.140 73 W HN 0.302 nan 8.180 nan 0.000 0.523 74 L N -0.047 120.962 121.223 -0.357 0.000 2.127 74 L HA -0.212 4.127 4.340 -0.000 0.000 0.211 74 L C 2.067 178.686 176.870 -0.419 0.000 1.089 74 L CA 1.907 56.371 54.840 -0.626 0.000 0.757 74 L CB -0.580 41.138 42.059 -0.567 0.000 0.899 74 L HN 0.100 nan 8.230 nan 0.000 0.434 75 E N -2.497 117.552 120.200 -0.252 0.000 2.421 75 E HA 0.061 4.411 4.350 -0.000 0.000 0.209 75 E C 0.113 176.637 176.600 -0.128 0.000 0.871 75 E CA -0.132 56.173 56.400 -0.158 0.000 1.064 75 E CB 0.953 30.596 29.700 -0.093 0.000 1.075 75 E HN 0.271 nan 8.360 nan 0.000 0.513 76 C N 1.725 120.959 119.300 -0.110 0.000 2.441 76 C HA 0.323 4.783 4.460 -0.000 0.000 0.318 76 C C -0.599 174.376 174.990 -0.024 0.000 1.222 76 C CA -0.973 58.011 59.018 -0.057 0.000 1.474 76 C CB 0.608 28.335 27.740 -0.023 0.000 2.125 76 C HN 0.271 nan 8.230 nan 0.000 0.479 77 D N 3.426 123.823 120.400 -0.004 0.000 2.488 77 D HA 0.189 4.828 4.640 -0.000 0.000 0.238 77 D C -0.164 176.205 176.300 0.115 0.000 1.138 77 D CA 0.415 54.454 54.000 0.065 0.000 0.873 77 D CB 0.652 41.485 40.800 0.055 0.000 1.183 77 D HN 0.568 nan 8.370 nan 0.000 0.458 78 L N 5.571 126.914 121.223 0.201 0.000 2.367 78 L HA 0.212 4.552 4.340 -0.000 0.000 0.275 78 L C -1.402 175.526 176.870 0.096 0.000 1.129 78 L CA -1.485 53.448 54.840 0.154 0.000 0.839 78 L CB 1.042 43.208 42.059 0.178 0.000 1.133 78 L HN 0.506 nan 8.230 nan 0.000 0.453 79 P HA -0.122 nan 4.420 nan 0.000 0.222 79 P C 1.076 178.396 177.300 0.034 0.000 1.153 79 P CA 0.652 63.779 63.100 0.045 0.000 0.798 79 P CB 0.184 31.904 31.700 0.033 0.000 0.796 80 E N -0.096 120.118 120.200 0.023 0.000 2.401 80 E HA -0.012 4.338 4.350 -0.000 0.000 0.199 80 E C 0.768 177.355 176.600 -0.021 0.000 1.023 80 E CA 0.105 56.502 56.400 -0.006 0.000 0.859 80 E CB -0.547 29.135 29.700 -0.029 0.000 0.780 80 E HN 0.069 nan 8.360 nan 0.000 0.523 81 A N 1.267 124.088 122.820 0.002 0.000 2.366 81 A HA 0.192 4.512 4.320 -0.000 0.000 0.250 81 A C -0.544 177.068 177.584 0.046 0.000 1.099 81 A CA -0.061 51.974 52.037 -0.003 0.000 0.794 81 A CB 0.342 19.376 19.000 0.057 0.000 1.056 81 A HN 0.183 nan 8.150 nan 0.000 0.499 82 D N -1.290 119.160 120.400 0.084 0.000 2.423 82 D HA 0.572 5.212 4.640 -0.000 0.000 0.235 82 D C -0.893 175.510 176.300 0.171 0.000 1.011 82 D CA -0.159 53.923 54.000 0.137 0.000 0.963 82 D CB 1.433 42.362 40.800 0.216 0.000 1.349 82 D HN 0.350 nan 8.370 nan 0.000 0.508 83 T N 0.699 115.342 114.554 0.148 0.000 2.749 83 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 83 T C -0.278 174.510 174.700 0.147 0.000 0.970 83 T CA -0.583 61.614 62.100 0.162 0.000 0.980 83 T CB 0.529 69.469 68.868 0.121 0.000 0.924 83 T HN 0.292 nan 8.240 nan 0.000 0.456 84 V N 1.291 121.324 119.914 0.198 0.000 3.141 84 V HA 0.821 4.940 4.120 -0.000 0.000 0.312 84 V C -0.306 175.905 176.094 0.194 0.000 1.157 84 V CA -1.098 61.274 62.300 0.120 0.000 1.041 84 V CB 1.620 33.510 31.823 0.111 0.000 1.071 84 V HN 0.511 nan 8.190 nan 0.000 0.441 85 V N 1.539 121.541 119.914 0.148 0.000 2.607 85 V HA 0.614 4.734 4.120 -0.000 0.000 0.289 85 V C 0.028 176.188 176.094 0.111 0.000 1.053 85 V CA -0.250 62.137 62.300 0.145 0.000 0.996 85 V CB 1.230 33.100 31.823 0.078 0.000 0.995 85 V HN 0.758 nan 8.190 nan 0.000 0.476 86 V N 5.748 125.648 119.914 -0.023 0.000 2.656 86 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 86 V C -2.254 173.719 176.094 -0.202 0.000 1.051 86 V CA -1.650 60.491 62.300 -0.266 0.000 0.893 86 V CB 2.401 33.676 31.823 -0.914 0.000 0.999 86 V HN 0.774 nan 8.190 nan 0.000 0.426 87 P HA 0.451 nan 4.420 nan 0.000 0.274 87 P C -0.643 176.568 177.300 -0.148 0.000 1.246 87 P CA -0.001 62.960 63.100 -0.232 0.000 0.795 87 P CB 1.585 33.160 31.700 -0.210 0.000 1.006 88 S N -0.381 115.244 115.700 -0.125 0.000 2.688 88 S HA 0.302 4.771 4.470 -0.000 0.000 0.269 88 S C -1.519 172.983 174.600 -0.163 0.000 1.060 88 S CA -1.069 57.035 58.200 -0.159 0.000 0.844 88 S CB -0.081 63.002 63.200 -0.196 0.000 1.095 88 S HN 0.451 nan 8.310 nan 0.000 0.466 89 N N 1.065 119.592 118.700 -0.288 0.000 2.417 89 N HA 0.439 5.179 4.740 -0.000 0.000 0.274 89 N C 0.492 175.813 175.510 -0.315 0.000 0.987 89 N CA -0.824 52.037 53.050 -0.315 0.000 0.912 89 N CB 0.727 39.004 38.487 -0.350 0.000 1.177 89 N HN 0.836 nan 8.380 nan 0.000 0.490 90 W N 2.382 123.563 121.300 -0.199 0.000 2.424 90 W HA -0.115 4.544 4.660 -0.000 0.000 0.264 90 W C 0.994 177.541 176.519 0.046 0.000 1.229 90 W CA 0.671 57.960 57.345 -0.094 0.000 1.208 90 W CB -0.395 29.032 29.460 -0.055 0.000 1.127 90 W HN 0.490 nan 8.180 nan 0.000 0.588 91 Q N 0.531 120.334 119.800 0.005 0.000 2.079 91 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 91 Q C 2.242 178.224 176.000 -0.031 0.000 0.974 91 Q CA 1.949 57.765 55.803 0.022 0.000 0.840 91 Q CB -0.741 27.898 28.738 -0.165 0.000 0.898 91 Q HN 0.241 nan 8.270 nan 0.000 0.430 92 M N -0.193 119.320 119.600 -0.146 0.000 2.446 92 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 92 M C 0.744 177.059 176.300 0.026 0.000 1.066 92 M CA 1.326 56.551 55.300 -0.125 0.000 1.087 92 M CB -0.556 31.921 32.600 -0.205 0.000 1.406 92 M HN 0.232 nan 8.290 nan 0.000 0.459 93 H N -0.699 118.375 119.070 0.006 0.000 2.551 93 H HA 0.361 4.917 4.556 -0.000 0.000 0.271 93 H C 1.559 176.709 175.328 -0.297 0.000 0.984 93 H CA 0.419 56.416 56.048 -0.086 0.000 1.164 93 H CB -0.014 29.784 29.762 0.060 0.000 1.437 93 H HN 0.485 nan 8.280 nan 0.000 0.550 94 G N 0.429 109.205 108.800 -0.039 0.000 2.143 94 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.249 94 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.249 94 G C 0.657 175.441 174.900 -0.194 0.000 0.981 94 G CA 0.451 45.484 45.100 -0.112 0.000 0.665 94 G HN 0.417 nan 8.290 nan 0.000 0.528 95 Y N 1.581 121.942 120.300 0.102 0.000 2.421 95 Y HA 0.283 4.833 4.550 -0.000 0.000 0.292 95 Y C 1.517 177.209 175.900 -0.346 0.000 1.136 95 Y CA 1.405 59.456 58.100 -0.081 0.000 1.255 95 Y CB 0.219 38.757 38.460 0.131 0.000 0.991 95 Y HN 0.697 nan 8.280 nan 0.000 0.552 96 D N -2.544 117.919 120.400 0.105 0.000 2.755 96 D HA 0.432 5.072 4.640 -0.000 0.000 0.277 96 D C -1.202 175.210 176.300 0.187 0.000 1.261 96 D CA -0.700 53.351 54.000 0.084 0.000 0.759 96 D CB 0.534 41.478 40.800 0.239 0.000 1.279 96 D HN -0.049 nan 8.370 nan 0.000 0.420 97 A N 0.350 123.283 122.820 0.188 0.000 2.354 97 A HA 0.673 4.993 4.320 -0.000 0.000 0.269 97 A C -2.232 175.447 177.584 0.158 0.000 1.109 97 A CA -1.063 51.096 52.037 0.203 0.000 0.800 97 A CB 0.019 19.178 19.000 0.265 0.000 1.045 97 A HN 0.542 nan 8.150 nan 0.000 0.489 98 P HA 0.404 nan 4.420 nan 0.000 0.285 98 P C -0.860 176.611 177.300 0.285 0.000 1.259 98 P CA 0.065 63.165 63.100 0.000 0.000 0.794 98 P CB 0.875 32.343 31.700 -0.388 0.000 0.940 99 I N 3.412 124.196 120.570 0.356 0.000 2.437 99 I HA 0.277 4.447 4.170 -0.000 0.000 0.298 99 I C -0.288 176.015 176.117 0.310 0.000 0.984 99 I CA -0.967 60.551 61.300 0.363 0.000 1.214 99 I CB 1.220 39.392 38.000 0.288 0.000 1.365 99 I HN 0.328 nan 8.210 nan 0.000 0.469 100 Y N 5.264 125.531 120.300 -0.056 0.000 2.388 100 Y HA 0.491 5.041 4.550 -0.000 0.000 0.328 100 Y C -0.501 175.257 175.900 -0.238 0.000 0.963 100 Y CA -0.648 57.182 58.100 -0.449 0.000 1.240 100 Y CB 1.322 39.044 38.460 -1.230 0.000 1.118 100 Y HN 0.553 nan 8.280 nan 0.000 0.484 101 T N 5.775 119.840 114.554 -0.815 0.000 2.886 101 T HA 0.263 4.613 4.350 -0.000 0.000 0.292 101 T C 0.163 174.447 174.700 -0.694 0.000 1.012 101 T CA -0.583 61.086 62.100 -0.718 0.000 0.982 101 T CB 1.030 69.710 68.868 -0.315 0.000 1.018 101 T HN 0.773 nan 8.240 nan 0.000 0.451 102 N N 2.782 121.098 118.700 -0.640 0.000 2.174 102 N HA -0.007 4.733 4.740 -0.000 0.000 0.191 102 N C 1.640 176.941 175.510 -0.348 0.000 1.059 102 N CA 1.663 54.460 53.050 -0.422 0.000 0.889 102 N CB -0.566 37.670 38.487 -0.419 0.000 1.069 102 N HN 0.429 nan 8.380 nan 0.000 0.461 103 V N 0.482 120.173 119.914 -0.371 0.000 2.341 103 V HA 0.041 4.160 4.120 -0.000 0.000 0.240 103 V C 0.579 176.447 176.094 -0.377 0.000 1.035 103 V CA 0.894 62.972 62.300 -0.370 0.000 1.033 103 V CB -0.956 30.651 31.823 -0.360 0.000 0.678 103 V HN 0.343 nan 8.190 nan 0.000 0.464 104 T N 1.460 115.837 114.554 -0.296 0.000 2.778 104 T HA 0.032 4.382 4.350 -0.000 0.000 0.282 104 T C -0.297 174.297 174.700 -0.176 0.000 0.983 104 T CA 0.353 62.329 62.100 -0.207 0.000 1.193 104 T CB -0.557 68.218 68.868 -0.154 0.000 0.938 104 T HN 0.179 nan 8.240 nan 0.000 0.523 105 Y N 5.674 125.897 120.300 -0.128 0.000 2.788 105 Y HA 0.025 4.575 4.550 -0.000 0.000 0.341 105 Y C -0.560 175.232 175.900 -0.179 0.000 1.258 105 Y CA -1.349 56.665 58.100 -0.144 0.000 1.503 105 Y CB 0.267 38.647 38.460 -0.134 0.000 1.325 105 Y HN 0.508 nan 8.280 nan 0.000 0.614 106 P HA -0.072 nan 4.420 nan 0.000 0.225 106 P C 0.081 177.198 177.300 -0.305 0.000 1.156 106 P CA 1.354 64.379 63.100 -0.125 0.000 0.787 106 P CB 0.256 31.935 31.700 -0.034 0.000 0.802 107 I N -4.263 116.049 120.570 -0.431 0.000 3.436 107 I HA 0.507 4.677 4.170 -0.000 0.000 0.296 107 I C -0.521 175.461 176.117 -0.224 0.000 1.143 107 I CA -1.181 59.837 61.300 -0.471 0.000 1.009 107 I CB 1.189 38.722 38.000 -0.779 0.000 1.301 107 I HN -0.450 nan 8.210 nan 0.000 0.503 108 T N 2.332 116.789 114.554 -0.160 0.000 2.851 108 T HA 0.279 4.629 4.350 -0.000 0.000 0.298 108 T C 0.043 174.727 174.700 -0.027 0.000 0.977 108 T CA -0.369 61.696 62.100 -0.058 0.000 1.126 108 T CB 0.906 69.763 68.868 -0.017 0.000 0.916 108 T HN 0.373 nan 8.240 nan 0.000 0.529 109 V N 4.786 124.701 119.914 0.001 0.000 2.381 109 V HA 0.247 4.367 4.120 -0.000 0.000 0.257 109 V C 0.678 176.803 176.094 0.051 0.000 1.057 109 V CA -0.287 62.029 62.300 0.026 0.000 1.013 109 V CB -0.543 31.295 31.823 0.025 0.000 1.069 109 V HN 0.915 nan 8.190 nan 0.000 0.484 110 N N 5.762 124.535 118.700 0.122 0.000 2.805 110 N HA 0.207 4.947 4.740 -0.000 0.000 0.216 110 N C -2.809 172.770 175.510 0.116 0.000 1.447 110 N CA -1.004 52.117 53.050 0.118 0.000 0.785 110 N CB 1.430 40.021 38.487 0.174 0.000 1.458 110 N HN 0.344 nan 8.380 nan 0.000 0.547 111 P HA 0.164 nan 4.420 nan 0.000 0.266 111 P C -2.198 174.955 177.300 -0.244 0.000 1.195 111 P CA -0.569 62.189 63.100 -0.569 0.000 0.768 111 P CB 0.840 32.029 31.700 -0.851 0.000 0.838 112 P HA 0.211 nan 4.420 nan 0.000 0.259 112 P C -0.466 176.786 177.300 -0.080 0.000 1.530 112 P CA -0.303 62.680 63.100 -0.194 0.000 1.022 112 P CB 0.018 31.545 31.700 -0.288 0.000 1.514 113 F N 1.407 121.496 119.950 0.231 0.000 2.399 113 F HA 0.256 4.783 4.527 -0.000 0.000 0.342 113 F C 1.301 177.240 175.800 0.232 0.000 1.106 113 F CA -0.730 57.388 58.000 0.196 0.000 1.196 113 F CB 0.717 39.778 39.000 0.103 0.000 1.163 113 F HN -0.199 nan 8.300 nan 0.000 0.547 114 V N -0.038 120.117 119.914 0.402 0.000 3.019 114 V HA 0.701 4.821 4.120 -0.000 0.000 0.317 114 V C -2.704 173.539 176.094 0.247 0.000 1.094 114 V CA -3.113 59.343 62.300 0.259 0.000 1.000 114 V CB 1.324 33.354 31.823 0.344 0.000 1.060 114 V HN 0.494 nan 8.190 nan 0.000 0.443 115 P HA 0.114 nan 4.420 nan 0.000 0.265 115 P C 1.123 178.557 177.300 0.224 0.000 1.187 115 P CA 0.733 63.924 63.100 0.152 0.000 0.766 115 P CB 0.454 32.225 31.700 0.119 0.000 0.820 116 T N -0.929 113.731 114.554 0.177 0.000 2.867 116 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 116 T C 0.525 175.332 174.700 0.178 0.000 1.057 116 T CA 0.926 63.136 62.100 0.183 0.000 1.136 116 T CB -0.489 68.455 68.868 0.126 0.000 0.874 116 T HN 0.409 nan 8.240 nan 0.000 0.466 117 E N 2.537 122.841 120.200 0.174 0.000 1.861 117 E HA 0.213 4.562 4.350 -0.000 0.000 0.263 117 E C -0.652 176.092 176.600 0.241 0.000 1.137 117 E CA -0.377 56.129 56.400 0.177 0.000 0.944 117 E CB 0.081 29.891 29.700 0.183 0.000 1.092 117 E HN 0.238 nan 8.360 nan 0.000 0.420 118 N N 3.836 122.646 118.700 0.185 0.000 2.511 118 N HA 0.211 4.951 4.740 -0.000 0.000 0.249 118 N C -2.733 172.778 175.510 0.001 0.000 0.971 118 N CA -2.282 50.895 53.050 0.212 0.000 0.938 118 N CB 1.256 39.833 38.487 0.150 0.000 1.131 118 N HN 0.038 nan 8.380 nan 0.000 0.505 119 P HA 0.003 nan 4.420 nan 0.000 0.257 119 P C -0.868 176.267 177.300 -0.275 0.000 1.189 119 P CA 0.543 63.535 63.100 -0.179 0.000 0.780 119 P CB 0.227 32.113 31.700 0.311 0.000 0.772 120 T N 3.266 117.437 114.554 -0.639 0.000 2.758 120 T HA 0.505 4.854 4.350 -0.000 0.000 0.285 120 T C 0.591 174.821 174.700 -0.782 0.000 0.981 120 T CA -0.527 61.276 62.100 -0.496 0.000 0.965 120 T CB 1.252 69.864 68.868 -0.428 0.000 0.927 120 T HN 0.288 nan 8.240 nan 0.000 0.448 121 G N 1.204 109.614 108.800 -0.650 0.000 2.319 121 G HA2 0.440 4.400 3.960 -0.000 0.000 0.308 121 G HA3 0.440 4.400 3.960 -0.000 0.000 0.308 121 G C -0.205 174.558 174.900 -0.228 0.000 1.117 121 G CA -0.385 44.282 45.100 -0.722 0.000 0.903 121 G HN 0.854 nan 8.290 nan 0.000 0.436 122 C N 3.425 122.373 119.300 -0.587 0.000 2.200 122 C HA 0.413 4.873 4.460 -0.000 0.000 0.328 122 C C -0.502 174.566 174.990 0.129 0.000 1.148 122 C CA -0.890 57.903 59.018 -0.374 0.000 1.624 122 C CB -1.805 25.264 27.740 -1.119 0.000 2.167 122 C HN 0.622 nan 8.230 nan 0.000 0.484 123 Y N 2.177 122.827 120.300 0.582 0.000 2.342 123 Y HA 0.567 5.117 4.550 -0.000 0.000 0.334 123 Y C 0.851 177.222 175.900 0.785 0.000 1.067 123 Y CA -0.099 58.429 58.100 0.713 0.000 1.128 123 Y CB 1.325 40.155 38.460 0.618 0.000 1.200 123 Y HN 0.664 nan 8.280 nan 0.000 0.464 124 S N 2.849 119.042 115.700 0.821 0.000 2.564 124 S HA 0.838 5.308 4.470 -0.000 0.000 0.274 124 S C -1.739 172.984 174.600 0.204 0.000 1.124 124 S CA -0.848 57.619 58.200 0.445 0.000 0.869 124 S CB 2.283 65.641 63.200 0.264 0.000 1.105 124 S HN 0.581 nan 8.310 nan 0.000 0.472 125 L N 1.027 122.190 121.223 -0.099 0.000 2.543 125 L HA 0.654 4.993 4.340 -0.000 0.000 0.265 125 L C -1.209 175.625 176.870 -0.060 0.000 0.945 125 L CA 0.115 54.726 54.840 -0.383 0.000 0.869 125 L CB 2.259 43.529 42.059 -1.314 0.000 1.294 125 L HN 0.901 nan 8.230 nan 0.000 0.405 126 T N 5.636 120.175 114.554 -0.024 0.000 2.758 126 T HA 0.764 5.113 4.350 -0.000 0.000 0.285 126 T C -0.828 173.922 174.700 0.084 0.000 0.981 126 T CA -0.058 62.054 62.100 0.020 0.000 0.965 126 T CB 0.409 69.253 68.868 -0.040 0.000 0.927 126 T HN 0.442 nan 8.240 nan 0.000 0.448 127 F N 0.613 120.465 119.950 -0.164 0.000 2.685 127 F HA 0.792 5.319 4.527 -0.000 0.000 0.315 127 F C -1.202 174.522 175.800 -0.127 0.000 1.126 127 F CA -1.795 56.111 58.000 -0.156 0.000 0.950 127 F CB 0.943 39.828 39.000 -0.192 0.000 1.360 127 F HN 0.423 nan 8.300 nan 0.000 0.469 128 N N -0.328 118.219 118.700 -0.254 0.000 2.328 128 N HA 0.715 5.455 4.740 -0.000 0.000 0.299 128 N C -1.870 173.500 175.510 -0.235 0.000 1.179 128 N CA -0.972 51.871 53.050 -0.344 0.000 0.793 128 N CB 2.289 40.654 38.487 -0.204 0.000 1.366 128 N HN 0.547 nan 8.380 nan 0.000 0.493 129 V N 0.295 120.056 119.914 -0.255 0.000 2.513 129 V HA 0.288 4.407 4.120 -0.000 0.000 0.299 129 V C -0.301 175.671 176.094 -0.202 0.000 1.035 129 V CA -0.959 61.200 62.300 -0.235 0.000 0.889 129 V CB 1.406 33.151 31.823 -0.130 0.000 0.988 129 V HN 0.668 nan 8.190 nan 0.000 0.440 130 D N 2.879 123.097 120.400 -0.304 0.000 2.472 130 D HA -0.039 4.601 4.640 -0.000 0.000 0.237 130 D C 1.046 177.347 176.300 0.001 0.000 1.141 130 D CA 0.308 54.222 54.000 -0.144 0.000 0.875 130 D CB 1.497 42.215 40.800 -0.136 0.000 1.192 130 D HN 0.812 nan 8.370 nan 0.000 0.450 131 E N 1.165 121.384 120.200 0.031 0.000 2.204 131 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 131 E C 1.686 178.360 176.600 0.125 0.000 0.990 131 E CA 1.102 57.541 56.400 0.064 0.000 0.821 131 E CB 0.188 29.911 29.700 0.037 0.000 0.750 131 E HN 0.448 nan 8.360 nan 0.000 0.477 132 S N -0.577 115.216 115.700 0.155 0.000 2.423 132 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 132 S C 1.429 176.162 174.600 0.221 0.000 1.014 132 S CA 0.621 58.917 58.200 0.162 0.000 0.965 132 S CB -0.580 62.702 63.200 0.136 0.000 0.785 132 S HN 0.424 nan 8.310 nan 0.000 0.495 133 W N 1.602 122.896 121.300 -0.009 0.000 2.519 133 W HA 0.386 5.046 4.660 -0.000 0.000 0.266 133 W C 1.691 178.328 176.519 0.198 0.000 1.253 133 W CA -0.053 57.338 57.345 0.077 0.000 1.274 133 W CB -0.348 29.192 29.460 0.133 0.000 1.114 133 W HN 0.301 nan 8.180 nan 0.000 0.596 134 L N -0.428 120.995 121.223 0.334 0.000 2.640 134 L HA 0.112 4.452 4.340 -0.000 0.000 0.230 134 L C 1.764 178.728 176.870 0.157 0.000 1.123 134 L CA 0.343 55.318 54.840 0.225 0.000 0.900 134 L CB -0.394 41.762 42.059 0.162 0.000 1.146 134 L HN -0.043 nan 8.230 nan 0.000 0.484 135 Q N 0.817 120.706 119.800 0.149 0.000 2.424 135 Q HA 0.027 4.367 4.340 -0.000 0.000 0.204 135 Q C -0.081 175.977 176.000 0.096 0.000 0.933 135 Q CA 0.414 56.277 55.803 0.099 0.000 0.929 135 Q CB 0.593 29.378 28.738 0.077 0.000 1.037 135 Q HN 0.595 nan 8.270 nan 0.000 0.511 136 E N -2.138 118.146 120.200 0.139 0.000 2.429 136 E HA 0.535 4.884 4.350 -0.000 0.000 0.280 136 E C -0.194 176.505 176.600 0.165 0.000 1.068 136 E CA -0.722 55.751 56.400 0.121 0.000 0.837 136 E CB 0.610 30.366 29.700 0.094 0.000 1.357 136 E HN 0.037 nan 8.360 nan 0.000 0.455 137 G N 0.516 109.347 108.800 0.051 0.000 2.682 137 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.256 137 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.256 137 G C -0.630 174.131 174.900 -0.231 0.000 1.333 137 G CA 0.265 45.295 45.100 -0.117 0.000 0.904 137 G HN 0.720 nan 8.290 nan 0.000 0.569 138 Q N -0.419 119.122 119.800 -0.431 0.000 2.293 138 Q HA 0.603 4.943 4.340 -0.000 0.000 0.261 138 Q C -0.868 174.909 176.000 -0.371 0.000 0.960 138 Q CA -0.368 55.265 55.803 -0.282 0.000 0.882 138 Q CB 1.197 29.829 28.738 -0.177 0.000 1.275 138 Q HN 0.576 nan 8.270 nan 0.000 0.445 139 T N 5.267 119.778 114.554 -0.072 0.000 2.791 139 T HA 0.468 4.818 4.350 -0.000 0.000 0.288 139 T C -0.668 174.129 174.700 0.161 0.000 0.999 139 T CA -0.671 61.506 62.100 0.128 0.000 0.952 139 T CB 0.545 69.644 68.868 0.384 0.000 0.938 139 T HN 0.641 nan 8.240 nan 0.000 0.444 140 R N 2.803 123.394 120.500 0.152 0.000 2.854 140 R HA 0.804 5.144 4.340 -0.000 0.000 0.271 140 R C -1.153 175.238 176.300 0.152 0.000 0.996 140 R CA -1.037 55.150 56.100 0.145 0.000 0.961 140 R CB 1.654 32.016 30.300 0.103 0.000 1.182 140 R HN 0.549 nan 8.270 nan 0.000 0.479 141 I N 2.216 122.874 120.570 0.148 0.000 2.493 141 I HA 0.455 4.624 4.170 -0.000 0.000 0.298 141 I C -1.135 175.024 176.117 0.069 0.000 0.998 141 I CA -1.387 59.953 61.300 0.067 0.000 1.137 141 I CB 1.512 39.546 38.000 0.057 0.000 1.310 141 I HN 0.627 nan 8.210 nan 0.000 0.445 142 I N 7.355 127.863 120.570 -0.103 0.000 2.439 142 I HA 0.272 4.442 4.170 -0.000 0.000 0.283 142 I C -1.271 174.697 176.117 -0.247 0.000 1.023 142 I CA -0.382 60.873 61.300 -0.075 0.000 1.100 142 I CB 1.333 39.301 38.000 -0.054 0.000 1.238 142 I HN 0.389 nan 8.210 nan 0.000 0.445 143 F N 4.612 124.554 119.950 -0.013 0.000 2.313 143 F HA 0.253 4.780 4.527 -0.000 0.000 0.369 143 F C 1.392 177.079 175.800 -0.189 0.000 1.109 143 F CA -0.428 57.490 58.000 -0.136 0.000 1.132 143 F CB 0.577 39.462 39.000 -0.192 0.000 1.291 143 F HN 0.459 nan 8.300 nan 0.000 0.496 144 D N 2.391 122.702 120.400 -0.148 0.000 2.310 144 D HA 0.026 4.666 4.640 -0.000 0.000 0.212 144 D C 1.020 177.136 176.300 -0.307 0.000 0.965 144 D CA 0.870 54.736 54.000 -0.224 0.000 0.879 144 D CB 0.392 41.007 40.800 -0.310 0.000 0.921 144 D HN 0.635 nan 8.370 nan 0.000 0.510 145 G N -0.271 108.283 108.800 -0.411 0.000 2.455 145 G HA2 0.403 4.363 3.960 -0.000 0.000 0.298 145 G HA3 0.403 4.363 3.960 -0.000 0.000 0.298 145 G C -1.409 173.179 174.900 -0.520 0.000 1.349 145 G CA -0.463 44.250 45.100 -0.646 0.000 1.220 145 G HN -0.053 nan 8.290 nan 0.000 0.598 146 V N 2.844 122.688 119.914 -0.116 0.000 2.482 146 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 146 V C -0.630 175.561 176.094 0.161 0.000 1.026 146 V CA -1.265 60.981 62.300 -0.089 0.000 0.856 146 V CB 1.823 33.303 31.823 -0.571 0.000 1.001 146 V HN 0.688 nan 8.190 nan 0.000 0.424 147 N N 2.676 121.466 118.700 0.150 0.000 2.437 147 N HA 0.269 5.009 4.740 -0.000 0.000 0.259 147 N C 0.707 176.166 175.510 -0.085 0.000 0.983 147 N CA 0.293 53.321 53.050 -0.036 0.000 0.937 147 N CB 2.070 40.348 38.487 -0.348 0.000 1.122 147 N HN 0.751 nan 8.380 nan 0.000 0.499 148 S N 1.915 117.611 115.700 -0.007 0.000 2.559 148 S HA 0.535 5.005 4.470 -0.000 0.000 0.226 148 S C 0.251 174.926 174.600 0.124 0.000 1.030 148 S CA -0.082 58.156 58.200 0.062 0.000 0.956 148 S CB 0.418 63.667 63.200 0.083 0.000 0.900 148 S HN 0.623 nan 8.310 nan 0.000 0.510 149 A N 0.874 123.786 122.820 0.154 0.000 2.612 149 A HA 0.791 5.111 4.320 -0.000 0.000 0.293 149 A C -1.382 176.341 177.584 0.231 0.000 1.075 149 A CA -0.874 51.231 52.037 0.113 0.000 0.680 149 A CB 0.933 20.023 19.000 0.151 0.000 1.279 149 A HN 1.160 nan 8.150 nan 0.000 0.411 150 F N -0.820 119.002 119.950 -0.213 0.000 2.744 150 F HA 0.722 5.249 4.527 -0.000 0.000 0.311 150 F C -1.387 174.350 175.800 -0.106 0.000 1.144 150 F CA -0.791 57.160 58.000 -0.082 0.000 0.938 150 F CB 0.931 39.856 39.000 -0.126 0.000 1.292 150 F HN 0.623 nan 8.300 nan 0.000 0.444 151 H N 1.908 121.075 119.070 0.162 0.000 2.492 151 H HA 0.722 5.278 4.556 -0.000 0.000 0.345 151 H C -1.427 173.772 175.328 -0.214 0.000 1.136 151 H CA -0.722 55.277 56.048 -0.082 0.000 1.202 151 H CB 2.431 32.180 29.762 -0.023 0.000 1.524 151 H HN 0.813 nan 8.280 nan 0.000 0.506 152 L N 3.294 124.210 121.223 -0.511 0.000 2.362 152 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 152 L C -1.557 174.939 176.870 -0.624 0.000 0.998 152 L CA -0.480 54.110 54.840 -0.416 0.000 0.820 152 L CB 1.267 42.979 42.059 -0.578 0.000 1.270 152 L HN 0.491 nan 8.230 nan 0.000 0.415 153 W N 4.638 125.887 121.300 -0.084 0.000 2.819 153 W HA 0.526 5.185 4.660 -0.000 0.000 0.337 153 W C -1.177 175.307 176.519 -0.059 0.000 1.077 153 W CA -0.800 56.508 57.345 -0.062 0.000 1.226 153 W CB 2.007 31.470 29.460 0.005 0.000 1.419 153 W HN 0.559 nan 8.180 nan 0.000 0.502 154 C N 5.817 125.235 119.300 0.196 0.000 2.344 154 C HA 0.319 4.779 4.460 -0.000 0.000 0.326 154 C C 0.032 175.177 174.990 0.258 0.000 1.201 154 C CA -0.327 58.805 59.018 0.190 0.000 1.410 154 C CB -1.024 26.783 27.740 0.111 0.000 2.070 154 C HN 0.765 nan 8.230 nan 0.000 0.445 155 N N 4.151 122.944 118.700 0.154 0.000 2.726 155 N HA -0.165 4.574 4.740 -0.000 0.000 0.253 155 N C 0.985 176.562 175.510 0.111 0.000 1.059 155 N CA 1.822 54.929 53.050 0.095 0.000 0.701 155 N CB -1.306 37.240 38.487 0.098 0.000 0.899 155 N HN 1.746 nan 8.380 nan 0.000 0.548 156 G N -0.772 108.074 108.800 0.077 0.000 2.480 156 G HA2 -0.420 3.539 3.960 -0.000 0.000 0.246 156 G HA3 -0.420 3.539 3.960 -0.000 0.000 0.246 156 G C 0.310 175.363 174.900 0.255 0.000 1.073 156 G CA 0.912 46.050 45.100 0.062 0.000 0.643 156 G HN 0.595 nan 8.290 nan 0.000 0.525 157 R N -0.502 120.208 120.500 0.349 0.000 2.441 157 R HA 0.380 4.720 4.340 -0.000 0.000 0.284 157 R C -0.071 176.628 176.300 0.665 0.000 1.070 157 R CA -0.582 55.810 56.100 0.488 0.000 1.047 157 R CB 0.665 31.206 30.300 0.401 0.000 1.016 157 R HN 0.315 nan 8.270 nan 0.000 0.477 158 W N 3.492 125.054 121.300 0.438 0.000 2.266 158 W HA 0.124 4.784 4.660 -0.000 0.000 0.317 158 W C 0.110 176.606 176.519 -0.039 0.000 1.310 158 W CA -0.177 57.156 57.345 -0.021 0.000 1.207 158 W CB 0.687 30.083 29.460 -0.108 0.000 1.199 158 W HN 0.313 nan 8.180 nan 0.000 0.544 159 V N 5.230 124.445 119.914 -1.166 0.000 2.599 159 V HA 0.533 4.653 4.120 -0.000 0.000 0.237 159 V C 1.043 176.181 176.094 -1.593 0.000 1.081 159 V CA 1.081 62.636 62.300 -1.242 0.000 1.107 159 V CB -0.571 30.566 31.823 -1.143 0.000 0.808 159 V HN 0.786 nan 8.190 nan 0.000 0.486 160 G N -1.940 105.712 108.800 -1.913 0.000 2.490 160 G HA2 0.495 4.455 3.960 -0.000 0.000 0.308 160 G HA3 0.495 4.455 3.960 -0.000 0.000 0.308 160 G C -2.425 172.078 174.900 -0.661 0.000 1.286 160 G CA -0.288 44.041 45.100 -1.286 0.000 0.825 160 G HN 0.011 nan 8.290 nan 0.000 0.479 161 Y N -0.494 119.615 120.300 -0.319 0.000 2.562 161 Y HA 0.722 5.272 4.550 -0.000 0.000 0.345 161 Y C -0.075 175.619 175.900 -0.343 0.000 1.045 161 Y CA -0.262 57.591 58.100 -0.411 0.000 1.028 161 Y CB 2.294 40.664 38.460 -0.150 0.000 1.297 161 Y HN 1.175 nan 8.280 nan 0.000 0.463 162 G N 3.640 111.579 108.800 -1.435 0.000 2.733 162 G HA2 0.569 4.529 3.960 -0.000 0.000 0.297 162 G HA3 0.569 4.529 3.960 -0.000 0.000 0.297 162 G C -2.146 172.282 174.900 -0.786 0.000 1.422 162 G CA -0.843 43.718 45.100 -0.897 0.000 0.942 162 G HN 0.615 nan 8.290 nan 0.000 0.510 163 Q N -0.165 119.423 119.800 -0.353 0.000 2.528 163 Q HA 0.592 4.932 4.340 -0.000 0.000 0.289 163 Q C -1.389 174.611 176.000 0.001 0.000 1.091 163 Q CA -0.788 54.936 55.803 -0.131 0.000 0.797 163 Q CB 2.770 31.467 28.738 -0.069 0.000 1.466 163 Q HN 0.654 nan 8.270 nan 0.000 0.436 164 D N -0.169 120.270 120.400 0.065 0.000 4.147 164 D HA -0.092 4.548 4.640 -0.000 0.000 0.239 164 D C -0.422 175.944 176.300 0.109 0.000 1.075 164 D CA 0.513 54.565 54.000 0.087 0.000 1.089 164 D CB -0.822 40.011 40.800 0.055 0.000 0.799 164 D HN 0.535 nan 8.370 nan 0.000 0.371 165 S N 2.315 118.094 115.700 0.132 0.000 2.493 165 S HA -0.153 4.316 4.470 -0.000 0.000 0.243 165 S C 1.647 176.396 174.600 0.248 0.000 0.991 165 S CA 0.748 59.063 58.200 0.192 0.000 0.957 165 S CB 0.162 63.432 63.200 0.117 0.000 0.756 165 S HN 0.461 nan 8.310 nan 0.000 0.521 166 R N -0.060 120.535 120.500 0.158 0.000 2.397 166 R HA 0.408 4.748 4.340 -0.000 0.000 0.241 166 R C -0.010 176.345 176.300 0.091 0.000 0.914 166 R CA 0.078 56.265 56.100 0.145 0.000 1.071 166 R CB 0.042 30.443 30.300 0.169 0.000 1.116 166 R HN 0.349 nan 8.270 nan 0.000 0.524 167 L N 2.296 123.549 121.223 0.050 0.000 2.341 167 L HA 0.484 4.824 4.340 -0.000 0.000 0.267 167 L C -2.263 174.585 176.870 -0.037 0.000 1.009 167 L CA -2.267 52.572 54.840 -0.002 0.000 0.819 167 L CB 2.718 44.771 42.059 -0.011 0.000 1.323 167 L HN -0.215 nan 8.230 nan 0.000 0.425 168 P HA 0.080 nan 4.420 nan 0.000 0.271 168 P C -0.947 176.323 177.300 -0.049 0.000 1.216 168 P CA -0.215 62.840 63.100 -0.075 0.000 0.776 168 P CB 1.219 32.838 31.700 -0.135 0.000 0.881 169 S N 1.968 117.708 115.700 0.067 0.000 2.456 169 S HA 0.311 4.781 4.470 -0.000 0.000 0.316 169 S C -0.373 174.243 174.600 0.027 0.000 1.089 169 S CA -0.532 57.695 58.200 0.046 0.000 1.101 169 S CB 0.853 64.259 63.200 0.344 0.000 0.995 169 S HN 0.386 nan 8.310 nan 0.000 0.468 170 E N 1.900 121.894 120.200 -0.343 0.000 2.199 170 E HA 0.571 4.921 4.350 -0.000 0.000 0.269 170 E C -1.439 174.774 176.600 -0.644 0.000 0.899 170 E CA -0.520 55.733 56.400 -0.245 0.000 0.772 170 E CB 1.522 31.157 29.700 -0.108 0.000 1.155 170 E HN 0.410 nan 8.360 nan 0.000 0.408 171 F N 0.724 120.711 119.950 0.062 0.000 2.565 171 F HA 0.204 4.730 4.527 -0.000 0.000 0.313 171 F C 0.004 175.805 175.800 0.001 0.000 1.091 171 F CA -1.124 56.871 58.000 -0.008 0.000 0.915 171 F CB 1.459 40.411 39.000 -0.079 0.000 1.208 171 F HN 0.264 nan 8.300 nan 0.000 0.453 172 D N 3.167 123.658 120.400 0.151 0.000 2.352 172 D HA 0.199 4.838 4.640 -0.000 0.000 0.245 172 D C 0.493 176.883 176.300 0.150 0.000 1.224 172 D CA 0.258 54.336 54.000 0.130 0.000 0.879 172 D CB 0.835 41.700 40.800 0.109 0.000 1.057 172 D HN 0.589 nan 8.370 nan 0.000 0.491 173 L N 2.669 123.990 121.223 0.163 0.000 2.592 173 L HA -0.016 4.324 4.340 -0.000 0.000 0.227 173 L C 2.265 179.338 176.870 0.338 0.000 1.127 173 L CA -0.174 54.791 54.840 0.208 0.000 0.884 173 L CB -0.077 42.090 42.059 0.180 0.000 1.065 173 L HN 0.270 nan 8.230 nan 0.000 0.457 174 S N 1.404 117.257 115.700 0.254 0.000 2.393 174 S HA -0.315 4.155 4.470 -0.000 0.000 0.234 174 S C 1.899 176.625 174.600 0.210 0.000 1.064 174 S CA 1.991 60.316 58.200 0.208 0.000 1.088 174 S CB -0.240 63.038 63.200 0.130 0.000 0.939 174 S HN 0.579 nan 8.310 nan 0.000 0.448 175 A N -0.920 122.043 122.820 0.240 0.000 2.302 175 A HA 0.420 4.740 4.320 -0.000 0.000 0.219 175 A C 1.057 178.584 177.584 -0.096 0.000 1.243 175 A CA 0.109 52.178 52.037 0.055 0.000 0.856 175 A CB -0.370 18.598 19.000 -0.054 0.000 0.893 175 A HN 0.459 nan 8.150 nan 0.000 0.491 176 F N -0.982 119.010 119.950 0.070 0.000 2.711 176 F HA 0.363 4.890 4.527 -0.000 0.000 0.296 176 F C 0.680 176.515 175.800 0.059 0.000 1.096 176 F CA -0.332 57.708 58.000 0.067 0.000 1.280 176 F CB 0.007 39.053 39.000 0.077 0.000 1.060 176 F HN -0.040 nan 8.300 nan 0.000 0.608 177 L N 1.830 123.207 121.223 0.257 0.000 2.418 177 L HA 0.434 4.773 4.340 -0.000 0.000 0.265 177 L C 0.221 177.136 176.870 0.074 0.000 1.143 177 L CA -0.455 54.472 54.840 0.146 0.000 0.809 177 L CB 0.886 43.048 42.059 0.170 0.000 1.124 177 L HN 0.089 nan 8.230 nan 0.000 0.456 178 R N 1.657 122.163 120.500 0.010 0.000 2.837 178 R HA 0.804 5.144 4.340 -0.000 0.000 0.271 178 R C -1.003 175.275 176.300 -0.038 0.000 0.993 178 R CA -0.928 55.168 56.100 -0.008 0.000 0.931 178 R CB 1.492 31.777 30.300 -0.025 0.000 1.206 178 R HN 0.544 nan 8.270 nan 0.000 0.474 179 A N 1.424 124.230 122.820 -0.022 0.000 2.520 179 A HA 0.505 4.825 4.320 -0.000 0.000 0.245 179 A C 0.997 178.536 177.584 -0.075 0.000 1.072 179 A CA 0.997 53.012 52.037 -0.036 0.000 0.761 179 A CB -0.776 18.217 19.000 -0.011 0.000 1.004 179 A HN 1.357 nan 8.150 nan 0.000 0.499 180 G N 1.591 110.326 108.800 -0.109 0.000 2.482 180 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 180 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 180 G C -0.260 174.517 174.900 -0.205 0.000 1.271 180 G CA -0.124 44.898 45.100 -0.130 0.000 0.944 180 G HN 0.981 nan 8.290 nan 0.000 0.568 181 E N 1.217 121.305 120.200 -0.187 0.000 2.502 181 E HA 0.190 4.539 4.350 -0.000 0.000 0.261 181 E C -0.000 176.411 176.600 -0.315 0.000 0.974 181 E CA 0.513 56.765 56.400 -0.246 0.000 0.936 181 E CB 0.206 29.809 29.700 -0.161 0.000 0.926 181 E HN 0.412 nan 8.360 nan 0.000 0.459 182 N N 2.089 120.481 118.700 -0.513 0.000 2.329 182 N HA 0.353 5.093 4.740 -0.000 0.000 0.282 182 N C -1.125 174.142 175.510 -0.405 0.000 1.198 182 N CA -0.649 52.087 53.050 -0.523 0.000 0.790 182 N CB 2.352 40.330 38.487 -0.849 0.000 1.579 182 N HN 0.319 nan 8.380 nan 0.000 0.475 183 R N 1.438 121.866 120.500 -0.120 0.000 2.575 183 R HA 0.543 4.883 4.340 -0.000 0.000 0.293 183 R C -1.335 175.039 176.300 0.123 0.000 0.983 183 R CA -0.505 55.604 56.100 0.015 0.000 0.887 183 R CB 1.140 31.409 30.300 -0.053 0.000 1.184 183 R HN 0.466 nan 8.270 nan 0.000 0.445 184 L N 3.248 124.572 121.223 0.169 0.000 2.309 184 L HA 0.724 5.064 4.340 -0.000 0.000 0.282 184 L C -0.350 176.581 176.870 0.101 0.000 1.036 184 L CA -0.951 53.990 54.840 0.169 0.000 0.806 184 L CB 1.975 44.135 42.059 0.167 0.000 1.220 184 L HN 0.777 nan 8.230 nan 0.000 0.429 185 A N 3.750 126.635 122.820 0.110 0.000 2.311 185 A HA 0.713 5.033 4.320 -0.000 0.000 0.306 185 A C -0.884 176.958 177.584 0.429 0.000 1.189 185 A CA -0.435 51.558 52.037 -0.072 0.000 0.791 185 A CB 1.282 19.925 19.000 -0.595 0.000 1.172 185 A HN 0.393 nan 8.150 nan 0.000 0.481 186 V N 3.940 124.261 119.914 0.678 0.000 2.349 186 V HA 0.368 4.488 4.120 -0.000 0.000 0.284 186 V C -0.039 176.579 176.094 0.872 0.000 1.014 186 V CA -0.225 62.491 62.300 0.693 0.000 0.826 186 V CB 1.298 33.382 31.823 0.435 0.000 1.009 186 V HN 0.968 nan 8.190 nan 0.000 0.431 187 M N 6.084 126.228 119.600 0.906 0.000 2.094 187 M HA 0.493 4.973 4.480 -0.000 0.000 0.348 187 M C -1.233 175.344 176.300 0.461 0.000 1.267 187 M CA -0.263 55.409 55.300 0.621 0.000 1.125 187 M CB 0.910 33.912 32.600 0.671 0.000 1.527 187 M HN 0.446 nan 8.290 nan 0.000 0.447 188 V N 7.161 127.310 119.914 0.392 0.000 2.350 188 V HA 0.341 4.460 4.120 -0.000 0.000 0.276 188 V C -0.079 176.190 176.094 0.291 0.000 1.028 188 V CA -0.621 61.911 62.300 0.386 0.000 0.860 188 V CB 1.184 33.319 31.823 0.520 0.000 0.990 188 V HN 0.785 nan 8.190 nan 0.000 0.453 189 L N 5.163 126.489 121.223 0.172 0.000 2.276 189 L HA 0.503 4.843 4.340 -0.000 0.000 0.286 189 L C 1.580 178.486 176.870 0.060 0.000 1.061 189 L CA -0.325 54.534 54.840 0.030 0.000 0.807 189 L CB 0.992 42.960 42.059 -0.152 0.000 1.177 189 L HN 0.619 nan 8.230 nan 0.000 0.429 190 R N 2.841 123.337 120.500 -0.006 0.000 2.092 190 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 190 R C -0.296 175.736 176.300 -0.446 0.000 1.119 190 R CA 1.211 57.104 56.100 -0.345 0.000 0.970 190 R CB 0.239 30.198 30.300 -0.569 0.000 0.864 190 R HN 0.574 nan 8.270 nan 0.000 0.440 191 W N -0.053 121.301 121.300 0.090 0.000 2.639 191 W HA 0.431 5.090 4.660 -0.000 0.000 0.347 191 W C -0.426 176.175 176.519 0.137 0.000 1.067 191 W CA -0.797 56.598 57.345 0.084 0.000 1.218 191 W CB 1.851 31.362 29.460 0.085 0.000 1.393 191 W HN -0.001 nan 8.180 nan 0.000 0.557 192 S N -1.309 114.657 115.700 0.443 0.000 2.615 192 S HA 0.103 4.573 4.470 -0.000 0.000 0.268 192 S C -0.038 174.765 174.600 0.339 0.000 1.146 192 S CA -0.444 58.020 58.200 0.441 0.000 0.818 192 S CB 1.071 64.517 63.200 0.409 0.000 1.111 192 S HN 0.657 nan 8.310 nan 0.000 0.465 193 D N 0.758 121.380 120.400 0.371 0.000 2.265 193 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 193 D C 1.719 178.311 176.300 0.488 0.000 0.977 193 D CA 1.498 55.769 54.000 0.452 0.000 0.871 193 D CB -0.737 40.233 40.800 0.284 0.000 0.925 193 D HN 0.770 nan 8.370 nan 0.000 0.485 194 G N -0.333 108.672 108.800 0.343 0.000 2.509 194 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 194 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 194 G C 1.621 176.685 174.900 0.275 0.000 1.124 194 G CA 0.524 45.809 45.100 0.307 0.000 0.776 194 G HN 0.312 nan 8.290 nan 0.000 0.547 195 S N -0.070 115.759 115.700 0.215 0.000 2.447 195 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 195 S C 1.818 176.470 174.600 0.087 0.000 1.006 195 S CA 0.446 58.740 58.200 0.156 0.000 0.957 195 S CB -0.325 62.970 63.200 0.159 0.000 0.773 195 S HN 0.502 nan 8.310 nan 0.000 0.507 196 Y N 1.282 121.677 120.300 0.159 0.000 2.421 196 Y HA 0.107 4.657 4.550 -0.000 0.000 0.292 196 Y C 1.642 177.629 175.900 0.145 0.000 1.136 196 Y CA 0.539 58.650 58.100 0.019 0.000 1.255 196 Y CB -0.264 38.092 38.460 -0.173 0.000 0.991 196 Y HN 0.226 nan 8.280 nan 0.000 0.552 197 L N -0.732 120.674 121.223 0.304 0.000 2.640 197 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 197 L C 0.174 177.179 176.870 0.224 0.000 1.123 197 L CA 0.359 55.338 54.840 0.233 0.000 0.900 197 L CB 0.107 42.305 42.059 0.231 0.000 1.146 197 L HN 0.059 nan 8.230 nan 0.000 0.484 198 E N 0.413 120.760 120.200 0.245 0.000 3.269 198 E HA 0.035 4.385 4.350 -0.000 0.000 0.221 198 E C -0.516 176.208 176.600 0.206 0.000 1.113 198 E CA -0.098 56.436 56.400 0.222 0.000 1.385 198 E CB 0.361 30.182 29.700 0.203 0.000 1.345 198 E HN 0.051 nan 8.360 nan 0.000 0.435 199 D N 1.254 121.742 120.400 0.146 0.000 3.071 199 D HA 0.043 4.683 4.640 -0.000 0.000 0.259 199 D C -0.412 175.872 176.300 -0.027 0.000 1.331 199 D CA -0.236 53.756 54.000 -0.014 0.000 0.861 199 D CB 0.135 40.715 40.800 -0.366 0.000 1.059 199 D HN 0.016 nan 8.370 nan 0.000 0.486 200 Q N 0.295 120.166 119.800 0.118 0.000 2.340 200 Q HA 0.196 4.536 4.340 -0.000 0.000 0.249 200 Q C -0.229 175.860 176.000 0.149 0.000 0.957 200 Q CA -0.273 55.647 55.803 0.195 0.000 0.882 200 Q CB 0.919 29.934 28.738 0.462 0.000 1.235 200 Q HN 0.109 nan 8.270 nan 0.000 0.439 201 D N 2.801 123.295 120.400 0.156 0.000 2.541 201 D HA 0.146 4.786 4.640 -0.000 0.000 0.231 201 D C -0.797 175.625 176.300 0.203 0.000 1.163 201 D CA 0.124 54.196 54.000 0.120 0.000 1.077 201 D CB -0.422 40.428 40.800 0.084 0.000 1.110 201 D HN 0.467 nan 8.370 nan 0.000 0.499 202 M N -0.371 119.321 119.600 0.152 0.000 2.924 202 M HA 0.472 4.952 4.480 -0.000 0.000 0.271 202 M C -1.195 175.195 176.300 0.150 0.000 1.280 202 M CA -1.204 54.131 55.300 0.057 0.000 0.813 202 M CB 1.034 33.595 32.600 -0.064 0.000 1.658 202 M HN -0.121 nan 8.290 nan 0.000 0.467 203 W N 2.067 123.432 121.300 0.108 0.000 2.223 203 W HA 0.285 4.945 4.660 -0.000 0.000 0.334 203 W C 0.202 176.737 176.519 0.027 0.000 1.334 203 W CA -0.034 57.370 57.345 0.098 0.000 1.246 203 W CB 0.368 29.814 29.460 -0.023 0.000 1.184 203 W HN 0.292 nan 8.180 nan 0.000 0.563 204 R N 5.202 125.869 120.500 0.279 0.000 2.235 204 R HA 0.341 4.681 4.340 -0.000 0.000 0.338 204 R C -0.049 176.259 176.300 0.013 0.000 1.087 204 R CA -0.104 56.090 56.100 0.155 0.000 0.948 204 R CB -0.116 30.347 30.300 0.271 0.000 1.099 204 R HN 0.577 nan 8.270 nan 0.000 0.483 205 M N 0.218 119.721 119.600 -0.162 0.000 2.407 205 M HA 0.491 4.971 4.480 -0.000 0.000 0.235 205 M C 0.077 176.032 176.300 -0.574 0.000 0.846 205 M CA -0.663 54.420 55.300 -0.361 0.000 1.540 205 M CB 1.348 33.721 32.600 -0.378 0.000 1.274 205 M HN 0.630 nan 8.290 nan 0.000 0.802 206 S N -1.613 113.624 115.700 -0.772 0.000 2.688 206 S HA 0.726 5.196 4.470 -0.000 0.000 0.269 206 S C -0.620 173.415 174.600 -0.941 0.000 1.060 206 S CA -0.424 57.237 58.200 -0.899 0.000 0.844 206 S CB 0.827 63.358 63.200 -1.114 0.000 1.095 206 S HN 1.619 nan 8.310 nan 0.000 0.466 207 G N 0.104 108.581 108.800 -0.539 0.000 2.409 207 G HA2 0.127 4.087 3.960 -0.000 0.000 0.421 207 G HA3 0.127 4.087 3.960 -0.000 0.000 0.421 207 G C -1.134 173.735 174.900 -0.051 0.000 1.259 207 G CA -0.544 44.548 45.100 -0.013 0.000 1.011 207 G HN 1.431 nan 8.290 nan 0.000 0.497 208 I N 2.055 122.438 120.570 -0.311 0.000 2.241 208 I HA 0.263 4.433 4.170 -0.000 0.000 0.294 208 I C 1.195 177.170 176.117 -0.236 0.000 1.145 208 I CA -0.257 60.786 61.300 -0.427 0.000 1.261 208 I CB -0.196 37.299 38.000 -0.843 0.000 1.475 208 I HN 0.489 nan 8.210 nan 0.000 0.533 209 F N 3.512 123.293 119.950 -0.282 0.000 2.765 209 F HA 0.438 4.964 4.527 -0.000 0.000 0.302 209 F C 0.574 176.283 175.800 -0.151 0.000 1.111 209 F CA -0.638 57.232 58.000 -0.215 0.000 1.359 209 F CB -0.198 38.684 39.000 -0.198 0.000 1.097 209 F HN 0.136 nan 8.300 nan 0.000 0.577 210 R N 0.875 120.973 120.500 -0.670 0.000 2.744 210 R HA 0.192 4.532 4.340 -0.000 0.000 0.279 210 R C -0.764 175.329 176.300 -0.346 0.000 0.977 210 R CA -1.073 54.727 56.100 -0.501 0.000 0.906 210 R CB 1.328 31.217 30.300 -0.685 0.000 1.197 210 R HN 0.014 nan 8.270 nan 0.000 0.463 211 D N 1.287 121.552 120.400 -0.224 0.000 2.749 211 D HA -0.066 4.574 4.640 -0.000 0.000 0.222 211 D C -0.301 175.854 176.300 -0.242 0.000 1.131 211 D CA 0.833 54.724 54.000 -0.182 0.000 0.845 211 D CB 0.520 41.259 40.800 -0.103 0.000 1.196 211 D HN -0.005 nan 8.370 nan 0.000 0.503 212 V N 1.876 121.649 119.914 -0.234 0.000 2.448 212 V HA 0.376 4.496 4.120 -0.000 0.000 0.295 212 V C 0.190 176.144 176.094 -0.234 0.000 1.025 212 V CA -0.471 61.617 62.300 -0.353 0.000 0.859 212 V CB 1.841 33.462 31.823 -0.337 0.000 0.988 212 V HN 0.514 nan 8.190 nan 0.000 0.431 213 S N 4.284 119.834 115.700 -0.251 0.000 2.671 213 S HA 0.837 5.307 4.470 -0.000 0.000 0.299 213 S C -1.191 173.353 174.600 -0.095 0.000 1.116 213 S CA -0.644 57.480 58.200 -0.127 0.000 0.912 213 S CB 2.102 65.263 63.200 -0.064 0.000 1.130 213 S HN 0.465 nan 8.310 nan 0.000 0.501 214 L N 2.249 123.481 121.223 0.015 0.000 2.404 214 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 214 L C -1.551 175.504 176.870 0.308 0.000 0.980 214 L CA -0.403 54.520 54.840 0.139 0.000 0.836 214 L CB 1.428 43.543 42.059 0.092 0.000 1.238 214 L HN 0.601 nan 8.230 nan 0.000 0.408 215 L N 4.493 125.869 121.223 0.255 0.000 2.341 215 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 215 L C -1.101 175.807 176.870 0.064 0.000 1.005 215 L CA -0.136 54.799 54.840 0.159 0.000 0.818 215 L CB 1.268 43.380 42.059 0.089 0.000 1.259 215 L HN 0.597 nan 8.230 nan 0.000 0.418 216 H N 5.216 124.088 119.070 -0.330 0.000 2.511 216 H HA 0.501 5.056 4.556 -0.000 0.000 0.328 216 H C -1.335 173.782 175.328 -0.352 0.000 1.044 216 H CA -0.573 55.155 56.048 -0.533 0.000 1.212 216 H CB 1.164 30.086 29.762 -1.399 0.000 1.428 216 H HN 0.557 nan 8.280 nan 0.000 0.483 217 K N 5.481 125.606 120.400 -0.457 0.000 2.267 217 K HA 0.382 4.701 4.320 -0.000 0.000 0.246 217 K C -2.687 173.737 176.600 -0.293 0.000 0.954 217 K CA -2.057 54.067 56.287 -0.273 0.000 0.824 217 K CB 2.082 34.450 32.500 -0.220 0.000 1.167 217 K HN 0.460 nan 8.250 nan 0.000 0.431 218 P HA 0.102 nan 4.420 nan 0.000 0.273 218 P C 0.637 177.873 177.300 -0.106 0.000 1.250 218 P CA -0.092 62.961 63.100 -0.077 0.000 0.793 218 P CB 0.515 32.192 31.700 -0.038 0.000 1.011 219 T N -0.834 113.680 114.554 -0.067 0.000 2.701 219 T HA -0.054 4.296 4.350 -0.000 0.000 0.263 219 T C 0.584 175.244 174.700 -0.067 0.000 1.040 219 T CA 1.542 63.603 62.100 -0.064 0.000 1.147 219 T CB -0.614 68.234 68.868 -0.033 0.000 0.865 219 T HN 0.407 nan 8.240 nan 0.000 0.426 220 T N 3.912 118.435 114.554 -0.052 0.000 2.739 220 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 220 T C -0.136 174.520 174.700 -0.074 0.000 0.929 220 T CA -0.402 61.657 62.100 -0.068 0.000 1.014 220 T CB 0.264 69.107 68.868 -0.041 0.000 0.914 220 T HN 0.472 nan 8.240 nan 0.000 0.509 221 Q N 2.692 122.429 119.800 -0.104 0.000 2.587 221 Q HA 0.668 5.008 4.340 -0.000 0.000 0.293 221 Q C -0.964 174.960 176.000 -0.126 0.000 1.083 221 Q CA -1.202 54.528 55.803 -0.123 0.000 0.792 221 Q CB 1.540 30.184 28.738 -0.157 0.000 1.484 221 Q HN 0.436 nan 8.270 nan 0.000 0.446 222 I N 2.420 122.886 120.570 -0.174 0.000 2.312 222 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 222 I C 0.525 176.502 176.117 -0.232 0.000 1.031 222 I CA -0.247 60.961 61.300 -0.154 0.000 1.293 222 I CB 1.250 39.120 38.000 -0.217 0.000 1.403 222 I HN 0.891 nan 8.210 nan 0.000 0.484 223 S N 2.698 118.365 115.700 -0.055 0.000 2.535 223 S HA 0.185 4.654 4.470 -0.000 0.000 0.214 223 S C 0.090 174.839 174.600 0.248 0.000 0.980 223 S CA -0.217 58.009 58.200 0.044 0.000 0.907 223 S CB 0.155 63.371 63.200 0.027 0.000 0.790 223 S HN 0.733 nan 8.310 nan 0.000 0.510 224 D N -0.377 120.181 120.400 0.263 0.000 2.884 224 D HA 0.444 5.084 4.640 -0.000 0.000 0.255 224 D C -1.929 174.479 176.300 0.179 0.000 1.142 224 D CA -0.654 53.490 54.000 0.239 0.000 0.726 224 D CB 0.999 41.818 40.800 0.031 0.000 1.436 224 D HN 0.183 nan 8.370 nan 0.000 0.441 225 F N 0.285 120.152 119.950 -0.138 0.000 2.615 225 F HA 0.621 5.147 4.527 -0.000 0.000 0.312 225 F C -1.591 174.051 175.800 -0.263 0.000 1.119 225 F CA -0.778 57.099 58.000 -0.206 0.000 0.979 225 F CB 1.467 40.453 39.000 -0.024 0.000 1.266 225 F HN 0.151 nan 8.300 nan 0.000 0.444 226 H N 2.850 121.956 119.070 0.061 0.000 2.505 226 H HA 0.649 5.204 4.556 -0.000 0.000 0.338 226 H C -0.942 174.408 175.328 0.038 0.000 1.057 226 H CA -1.050 54.979 56.048 -0.032 0.000 1.202 226 H CB 2.396 32.130 29.762 -0.046 0.000 1.466 226 H HN 0.639 nan 8.280 nan 0.000 0.499 227 V N 2.362 122.351 119.914 0.124 0.000 2.394 227 V HA 0.631 4.751 4.120 -0.000 0.000 0.282 227 V C 0.274 176.356 176.094 -0.021 0.000 1.031 227 V CA -0.620 61.715 62.300 0.057 0.000 0.881 227 V CB 1.199 33.050 31.823 0.047 0.000 0.982 227 V HN 0.952 nan 8.190 nan 0.000 0.451 228 A N 3.516 126.300 122.820 -0.060 0.000 2.435 228 A HA 0.943 5.263 4.320 -0.000 0.000 0.304 228 A C -0.177 177.294 177.584 -0.187 0.000 1.064 228 A CA -0.529 51.450 52.037 -0.098 0.000 0.727 228 A CB 2.063 21.025 19.000 -0.063 0.000 1.284 228 A HN 0.906 nan 8.150 nan 0.000 0.415 229 T N -0.078 114.337 114.554 -0.233 0.000 2.965 229 T HA 0.668 5.018 4.350 -0.000 0.000 0.306 229 T C -0.645 173.763 174.700 -0.486 0.000 0.991 229 T CA -0.647 61.209 62.100 -0.408 0.000 1.001 229 T CB 0.726 69.243 68.868 -0.585 0.000 0.984 229 T HN 0.680 nan 8.240 nan 0.000 0.446 230 R N 2.254 122.459 120.500 -0.492 0.000 2.589 230 R HA 0.763 5.102 4.340 -0.000 0.000 0.293 230 R C -1.026 174.951 176.300 -0.538 0.000 0.963 230 R CA -0.748 55.135 56.100 -0.361 0.000 0.905 230 R CB 1.375 31.588 30.300 -0.146 0.000 1.144 230 R HN 0.519 nan 8.270 nan 0.000 0.459 231 F N 0.214 120.116 119.950 -0.081 0.000 2.618 231 F HA 0.380 4.907 4.527 -0.000 0.000 0.332 231 F C 0.606 176.247 175.800 -0.264 0.000 1.061 231 F CA -1.399 56.492 58.000 -0.181 0.000 0.974 231 F CB 0.599 39.394 39.000 -0.343 0.000 1.310 231 F HN 0.495 nan 8.300 nan 0.000 0.491 232 N N -0.605 118.068 118.700 -0.045 0.000 2.405 232 N HA 0.133 4.873 4.740 -0.000 0.000 0.269 232 N C 0.355 175.730 175.510 -0.224 0.000 1.249 232 N CA -0.314 52.680 53.050 -0.093 0.000 0.974 232 N CB 0.103 38.567 38.487 -0.038 0.000 1.204 232 N HN 0.606 nan 8.380 nan 0.000 0.565 233 D N -1.326 118.995 120.400 -0.133 0.000 2.190 233 D HA -0.251 4.388 4.640 -0.000 0.000 0.200 233 D C 0.316 176.579 176.300 -0.061 0.000 0.992 233 D CA 1.552 55.483 54.000 -0.115 0.000 0.854 233 D CB -0.544 40.245 40.800 -0.019 0.000 0.936 233 D HN 0.774 nan 8.370 nan 0.000 0.462 234 D N -1.057 119.347 120.400 0.007 0.000 2.368 234 D HA -0.021 4.619 4.640 -0.000 0.000 0.218 234 D C 0.022 176.516 176.300 0.324 0.000 1.112 234 D CA -0.751 53.363 54.000 0.189 0.000 0.834 234 D CB -0.648 40.230 40.800 0.131 0.000 0.953 234 D HN 0.168 nan 8.370 nan 0.000 0.505 235 F N 1.135 121.117 119.950 0.054 0.000 3.093 235 F HA -0.286 4.241 4.527 -0.000 0.000 0.287 235 F C 1.742 177.594 175.800 0.086 0.000 0.882 235 F CA 0.794 58.829 58.000 0.058 0.000 1.063 235 F CB -2.637 36.295 39.000 -0.114 0.000 1.097 235 F HN 0.149 nan 8.300 nan 0.000 0.604 236 S N -1.749 114.052 115.700 0.169 0.000 2.458 236 S HA 0.210 4.680 4.470 -0.000 0.000 0.223 236 S C 0.831 175.483 174.600 0.086 0.000 1.019 236 S CA 0.115 58.383 58.200 0.113 0.000 0.937 236 S CB 0.469 63.714 63.200 0.074 0.000 0.788 236 S HN 0.459 nan 8.310 nan 0.000 0.511 237 R N 0.343 120.897 120.500 0.089 0.000 2.807 237 R HA 0.829 5.169 4.340 -0.000 0.000 0.276 237 R C -1.412 174.936 176.300 0.081 0.000 0.979 237 R CA -0.370 55.759 56.100 0.048 0.000 0.928 237 R CB 2.253 32.559 30.300 0.011 0.000 1.191 237 R HN 0.300 nan 8.270 nan 0.000 0.471 238 A N 1.229 124.045 122.820 -0.006 0.000 2.574 238 A HA 0.582 4.902 4.320 -0.000 0.000 0.297 238 A C -1.475 176.044 177.584 -0.109 0.000 1.062 238 A CA -0.602 51.363 52.037 -0.119 0.000 0.686 238 A CB 1.887 20.810 19.000 -0.128 0.000 1.285 238 A HN 0.338 nan 8.150 nan 0.000 0.403 239 V N 2.245 122.062 119.914 -0.161 0.000 2.409 239 V HA 0.464 4.583 4.120 -0.000 0.000 0.291 239 V C -0.241 175.789 176.094 -0.107 0.000 1.020 239 V CA -0.382 61.859 62.300 -0.097 0.000 0.848 239 V CB 1.354 33.121 31.823 -0.092 0.000 0.990 239 V HN 0.817 nan 8.190 nan 0.000 0.430 240 L N 4.394 125.592 121.223 -0.042 0.000 2.265 240 L HA 0.574 4.914 4.340 -0.000 0.000 0.288 240 L C 0.054 176.885 176.870 -0.065 0.000 1.058 240 L CA 0.050 54.843 54.840 -0.078 0.000 0.809 240 L CB 1.019 43.064 42.059 -0.024 0.000 1.179 240 L HN 0.758 nan 8.230 nan 0.000 0.429 241 E N 4.122 124.277 120.200 -0.075 0.000 2.165 241 E HA 0.629 4.979 4.350 -0.000 0.000 0.266 241 E C -1.291 175.303 176.600 -0.009 0.000 0.889 241 E CA -0.701 55.675 56.400 -0.040 0.000 0.756 241 E CB 1.662 31.336 29.700 -0.043 0.000 1.131 241 E HN 0.701 nan 8.360 nan 0.000 0.411 242 A N 4.699 127.525 122.820 0.010 0.000 2.310 242 A HA 0.267 4.587 4.320 -0.000 0.000 0.304 242 A C -0.618 176.996 177.584 0.049 0.000 1.231 242 A CA -0.629 51.439 52.037 0.052 0.000 0.799 242 A CB 0.925 19.956 19.000 0.050 0.000 1.162 242 A HN 0.694 nan 8.150 nan 0.000 0.486 243 E N 2.717 122.964 120.200 0.078 0.000 2.167 243 E HA 0.497 4.847 4.350 -0.000 0.000 0.284 243 E C -1.229 175.399 176.600 0.048 0.000 1.016 243 E CA -0.242 56.193 56.400 0.057 0.000 0.817 243 E CB 0.985 30.743 29.700 0.096 0.000 1.080 243 E HN 0.393 nan 8.360 nan 0.000 0.397 244 V N 4.866 124.808 119.914 0.045 0.000 2.555 244 V HA 0.303 4.423 4.120 -0.000 0.000 0.302 244 V C -0.427 175.762 176.094 0.157 0.000 1.038 244 V CA -0.824 61.530 62.300 0.091 0.000 0.887 244 V CB 1.693 33.544 31.823 0.046 0.000 0.991 244 V HN 0.703 nan 8.190 nan 0.000 0.434 245 Q N 4.425 124.314 119.800 0.148 0.000 2.365 245 Q HA 0.836 5.176 4.340 -0.000 0.000 0.269 245 Q C -0.795 175.268 176.000 0.106 0.000 1.061 245 Q CA -0.832 55.050 55.803 0.132 0.000 0.816 245 Q CB 2.794 31.546 28.738 0.024 0.000 1.325 245 Q HN 0.849 nan 8.270 nan 0.000 0.446 246 M N -0.844 118.736 119.600 -0.033 0.000 2.755 246 M HA 0.854 5.334 4.480 -0.000 0.000 0.298 246 M C -1.268 174.916 176.300 -0.193 0.000 1.251 246 M CA -0.380 54.809 55.300 -0.184 0.000 0.817 246 M CB 1.809 34.077 32.600 -0.554 0.000 1.760 246 M HN 0.580 nan 8.290 nan 0.000 0.473 247 C N -0.057 119.137 119.300 -0.178 0.000 3.080 247 C HA 1.019 5.479 4.460 -0.000 0.000 0.307 247 C C 0.560 175.464 174.990 -0.142 0.000 1.311 247 C CA 0.379 59.317 59.018 -0.133 0.000 1.533 247 C CB 1.163 28.856 27.740 -0.079 0.000 1.970 247 C HN 1.454 nan 8.230 nan 0.000 0.467 248 G N 1.511 110.245 108.800 -0.111 0.000 2.500 248 G HA2 0.061 4.021 3.960 -0.000 0.000 0.209 248 G HA3 0.061 4.021 3.960 -0.000 0.000 0.209 248 G C -0.962 173.873 174.900 -0.109 0.000 1.283 248 G CA -0.264 44.779 45.100 -0.095 0.000 0.960 248 G HN 0.889 nan 8.290 nan 0.000 0.528 249 E N -0.016 120.129 120.200 -0.091 0.000 2.299 249 E HA 0.515 4.865 4.350 -0.000 0.000 0.272 249 E C 0.532 177.038 176.600 -0.156 0.000 1.043 249 E CA -0.169 56.175 56.400 -0.095 0.000 0.895 249 E CB 0.451 30.120 29.700 -0.052 0.000 1.011 249 E HN 0.533 nan 8.360 nan 0.000 0.432 250 L N 5.615 126.735 121.223 -0.170 0.000 2.305 250 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 250 L C 0.184 176.916 176.870 -0.230 0.000 1.085 250 L CA -0.355 54.352 54.840 -0.222 0.000 0.813 250 L CB 0.508 42.456 42.059 -0.185 0.000 1.157 250 L HN 0.444 nan 8.230 nan 0.000 0.436 251 R N 1.799 122.100 120.500 -0.332 0.000 2.668 251 R HA 0.199 4.539 4.340 -0.000 0.000 0.272 251 R C -0.252 175.801 176.300 -0.411 0.000 1.019 251 R CA -0.720 55.094 56.100 -0.476 0.000 0.894 251 R CB 1.569 31.247 30.300 -1.037 0.000 1.228 251 R HN 0.568 nan 8.270 nan 0.000 0.460 252 D N 0.635 120.879 120.400 -0.260 0.000 2.178 252 D HA -0.180 4.459 4.640 -0.000 0.000 0.202 252 D C 1.421 177.682 176.300 -0.065 0.000 0.974 252 D CA 1.473 55.410 54.000 -0.105 0.000 0.841 252 D CB -0.256 40.532 40.800 -0.021 0.000 0.953 252 D HN 0.652 nan 8.370 nan 0.000 0.478 253 Y N 0.537 120.849 120.300 0.021 0.000 2.680 253 Y HA 0.133 4.683 4.550 -0.000 0.000 0.303 253 Y C 0.378 176.280 175.900 0.004 0.000 1.166 253 Y CA -0.240 57.869 58.100 0.014 0.000 1.344 253 Y CB -1.118 37.352 38.460 0.016 0.000 1.002 253 Y HN -0.084 nan 8.280 nan 0.000 0.537 254 L N 2.641 123.817 121.223 -0.078 0.000 2.417 254 L HA 0.338 4.678 4.340 -0.000 0.000 0.268 254 L C 0.236 177.088 176.870 -0.029 0.000 1.158 254 L CA -0.135 54.716 54.840 0.018 0.000 0.819 254 L CB 0.623 42.710 42.059 0.048 0.000 1.112 254 L HN 0.194 nan 8.230 nan 0.000 0.458 255 R N 1.975 122.344 120.500 -0.219 0.000 2.739 255 R HA 0.672 5.012 4.340 -0.000 0.000 0.271 255 R C -1.643 174.323 176.300 -0.557 0.000 1.010 255 R CA -0.774 55.052 56.100 -0.457 0.000 0.897 255 R CB 2.281 32.216 30.300 -0.609 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 0.942 120.591 119.914 -0.440 0.000 2.638 256 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 256 V C -0.566 175.487 176.094 -0.069 0.000 1.052 256 V CA -0.574 61.565 62.300 -0.269 0.000 0.885 256 V CB 2.326 33.891 31.823 -0.431 0.000 0.999 256 V HN 0.745 nan 8.190 nan 0.000 0.424 257 T N 4.074 118.675 114.554 0.079 0.000 2.864 257 T HA 0.471 4.821 4.350 -0.000 0.000 0.299 257 T C -0.477 174.239 174.700 0.027 0.000 1.011 257 T CA -0.328 61.821 62.100 0.081 0.000 0.975 257 T CB 1.381 70.329 68.868 0.133 0.000 0.962 257 T HN 0.325 nan 8.240 nan 0.000 0.448 258 V N 4.343 124.256 119.914 -0.002 0.000 2.383 258 V HA 0.580 4.700 4.120 -0.000 0.000 0.275 258 V C 0.242 176.346 176.094 0.017 0.000 1.036 258 V CA -0.672 61.628 62.300 0.000 0.000 0.889 258 V CB 1.226 33.041 31.823 -0.015 0.000 0.985 258 V HN 1.015 nan 8.190 nan 0.000 0.459 259 S N 5.474 121.212 115.700 0.063 0.000 2.500 259 S HA 0.770 5.239 4.470 -0.000 0.000 0.301 259 S C -0.977 173.669 174.600 0.077 0.000 1.092 259 S CA -0.758 57.463 58.200 0.034 0.000 1.030 259 S CB 2.005 65.270 63.200 0.108 0.000 1.031 259 S HN 0.480 nan 8.310 nan 0.000 0.483 260 L N 2.988 124.176 121.223 -0.058 0.000 2.272 260 L HA 0.679 5.018 4.340 -0.000 0.000 0.289 260 L C -1.737 175.102 176.870 -0.050 0.000 1.032 260 L CA -0.428 54.458 54.840 0.077 0.000 0.810 260 L CB 0.218 42.343 42.059 0.109 0.000 1.205 260 L HN 0.837 nan 8.230 nan 0.000 0.422 261 W N 4.104 125.510 121.300 0.176 0.000 2.529 261 W HA 0.547 5.207 4.660 -0.000 0.000 0.321 261 W C -0.424 176.159 176.519 0.106 0.000 1.047 261 W CA -0.538 56.877 57.345 0.117 0.000 1.216 261 W CB 1.381 30.863 29.460 0.037 0.000 1.357 261 W HN 0.404 nan 8.180 nan 0.000 0.489 262 Q N 3.037 122.953 119.800 0.193 0.000 2.462 262 Q HA 0.530 4.869 4.340 -0.000 0.000 0.247 262 Q C 0.598 176.608 176.000 0.016 0.000 1.044 262 Q CA 0.381 56.121 55.803 -0.106 0.000 0.803 262 Q CB 0.605 29.213 28.738 -0.217 0.000 1.190 262 Q HN 0.751 nan 8.270 nan 0.000 0.507 263 G N 3.429 112.249 108.800 0.033 0.000 2.561 263 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.289 263 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.289 263 G C 0.450 175.435 174.900 0.142 0.000 1.169 263 G CA 0.268 45.396 45.100 0.047 0.000 0.980 263 G HN 0.562 nan 8.290 nan 0.000 0.550 264 E N 1.320 121.596 120.200 0.126 0.000 2.442 264 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 264 E C 1.299 178.105 176.600 0.343 0.000 1.030 264 E CA 0.919 57.431 56.400 0.187 0.000 0.869 264 E CB -0.061 29.695 29.700 0.092 0.000 0.857 264 E HN 0.485 nan 8.360 nan 0.000 0.505 265 T N 1.254 115.947 114.554 0.230 0.000 2.904 265 T HA 0.156 4.506 4.350 -0.000 0.000 0.290 265 T C 0.265 174.938 174.700 -0.044 0.000 1.018 265 T CA -0.232 61.929 62.100 0.102 0.000 1.075 265 T CB 1.486 70.367 68.868 0.022 0.000 0.986 265 T HN -0.069 nan 8.240 nan 0.000 0.523 266 Q N 2.475 122.048 119.800 -0.379 0.000 2.506 266 Q HA 0.311 4.651 4.340 -0.000 0.000 0.242 266 Q C 1.131 176.879 176.000 -0.419 0.000 1.060 266 Q CA -0.476 54.809 55.803 -0.864 0.000 0.826 266 Q CB 0.717 28.722 28.738 -1.221 0.000 1.169 266 Q HN 0.708 nan 8.270 nan 0.000 0.521 267 V N 0.742 120.510 119.914 -0.244 0.000 2.490 267 V HA 0.176 4.296 4.120 -0.000 0.000 0.250 267 V C 0.549 176.565 176.094 -0.129 0.000 1.061 267 V CA 1.426 63.663 62.300 -0.105 0.000 1.064 267 V CB -0.586 31.264 31.823 0.045 0.000 0.670 267 V HN 0.569 nan 8.190 nan 0.000 0.461 268 A N -1.390 121.323 122.820 -0.179 0.000 2.601 268 A HA 0.781 5.101 4.320 -0.000 0.000 0.291 268 A C -0.568 176.918 177.584 -0.164 0.000 1.075 268 A CA 0.194 52.148 52.037 -0.138 0.000 0.671 268 A CB 1.388 20.341 19.000 -0.079 0.000 1.277 268 A HN 1.031 nan 8.150 nan 0.000 0.417 269 S N -0.895 114.736 115.700 -0.114 0.000 2.560 269 S HA 0.687 5.157 4.470 -0.000 0.000 0.283 269 S C -0.615 173.952 174.600 -0.055 0.000 1.141 269 S CA 0.282 58.428 58.200 -0.091 0.000 0.902 269 S CB 1.248 64.379 63.200 -0.115 0.000 1.104 269 S HN 2.346 nan 8.310 nan 0.000 0.454 270 G N 1.990 110.769 108.800 -0.036 0.000 2.620 270 G HA2 0.689 4.649 3.960 -0.000 0.000 0.301 270 G HA3 0.689 4.649 3.960 -0.000 0.000 0.301 270 G C -1.221 173.669 174.900 -0.017 0.000 1.347 270 G CA -0.476 44.607 45.100 -0.029 0.000 0.971 270 G HN 0.722 nan 8.290 nan 0.000 0.488 271 T N -0.223 114.324 114.554 -0.012 0.000 2.900 271 T HA 0.861 5.211 4.350 -0.000 0.000 0.295 271 T C -0.345 174.336 174.700 -0.032 0.000 1.044 271 T CA -0.087 62.016 62.100 0.004 0.000 0.995 271 T CB 1.882 70.785 68.868 0.058 0.000 1.072 271 T HN 1.579 nan 8.240 nan 0.000 0.473 272 A N 3.129 125.902 122.820 -0.078 0.000 2.599 272 A HA 0.852 5.172 4.320 -0.000 0.000 0.294 272 A C -3.162 174.309 177.584 -0.188 0.000 1.055 272 A CA -1.419 50.554 52.037 -0.106 0.000 0.683 272 A CB 1.240 20.177 19.000 -0.105 0.000 1.278 272 A HN 0.539 nan 8.150 nan 0.000 0.412 273 P HA 0.566 nan 4.420 nan 0.000 0.281 273 P C -0.607 176.586 177.300 -0.178 0.000 1.264 273 P CA -0.297 62.712 63.100 -0.151 0.000 0.824 273 P CB 0.471 32.144 31.700 -0.045 0.000 1.092 274 F N 0.184 120.099 119.950 -0.059 0.000 2.545 274 F HA 0.419 4.946 4.527 -0.000 0.000 0.348 274 F C 1.583 177.369 175.800 -0.023 0.000 1.163 274 F CA 1.756 59.732 58.000 -0.040 0.000 1.331 274 F CB -0.053 38.916 39.000 -0.052 0.000 1.138 274 F HN 0.604 nan 8.300 nan 0.000 0.602 275 G N 1.619 110.541 108.800 0.204 0.000 2.492 275 G HA2 0.356 4.316 3.960 -0.000 0.000 0.283 275 G HA3 0.356 4.316 3.960 -0.000 0.000 0.283 275 G C -0.301 174.655 174.900 0.094 0.000 1.274 275 G CA -0.729 44.445 45.100 0.122 0.000 1.215 275 G HN 1.049 nan 8.290 nan 0.000 0.598 276 G N 0.898 109.775 108.800 0.128 0.000 2.611 276 G HA2 0.617 4.577 3.960 -0.000 0.000 0.273 276 G HA3 0.617 4.577 3.960 -0.000 0.000 0.273 276 G C 0.485 175.434 174.900 0.081 0.000 1.305 276 G CA 0.081 45.247 45.100 0.111 0.000 1.010 276 G HN 0.938 nan 8.290 nan 0.000 0.509 277 E N -0.591 119.651 120.200 0.071 0.000 2.371 277 E HA 0.140 4.490 4.350 -0.000 0.000 0.257 277 E C -0.043 176.590 176.600 0.056 0.000 1.134 277 E CA -0.578 55.851 56.400 0.049 0.000 0.919 277 E CB 1.038 30.760 29.700 0.036 0.000 1.025 277 E HN 0.322 nan 8.360 nan 0.000 0.438 278 I N 2.111 122.701 120.570 0.033 0.000 2.598 278 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 278 I C 1.438 177.573 176.117 0.030 0.000 1.140 278 I CA 0.273 61.587 61.300 0.022 0.000 1.420 278 I CB 0.137 38.143 38.000 0.010 0.000 1.387 278 I HN 0.562 nan 8.210 nan 0.000 0.553 279 I N 1.961 122.550 120.570 0.031 0.000 4.032 279 I HA 0.292 4.461 4.170 -0.000 0.000 0.313 279 I C -0.137 175.991 176.117 0.019 0.000 1.272 279 I CA 0.049 61.375 61.300 0.042 0.000 1.307 279 I CB 0.471 38.529 38.000 0.096 0.000 1.155 279 I HN 0.607 nan 8.210 nan 0.000 0.431 280 D N -0.361 120.037 120.400 -0.002 0.000 2.768 280 D HA 0.156 4.796 4.640 -0.000 0.000 0.327 280 D C 0.186 176.476 176.300 -0.017 0.000 1.302 280 D CA -0.524 53.471 54.000 -0.008 0.000 0.897 280 D CB 0.687 41.482 40.800 -0.009 0.000 1.420 280 D HN -0.123 nan 8.370 nan 0.000 0.494 281 E N -0.992 119.199 120.200 -0.016 0.000 2.273 281 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 281 E C 1.283 177.867 176.600 -0.026 0.000 1.002 281 E CA 1.029 57.419 56.400 -0.017 0.000 0.828 281 E CB -0.047 29.645 29.700 -0.013 0.000 0.747 281 E HN 0.216 nan 8.360 nan 0.000 0.491 282 R N -0.431 120.046 120.500 -0.039 0.000 2.317 282 R HA 0.262 4.601 4.340 -0.000 0.000 0.208 282 R C 0.957 177.221 176.300 -0.061 0.000 0.914 282 R CA 0.724 56.794 56.100 -0.051 0.000 1.060 282 R CB 0.432 30.693 30.300 -0.065 0.000 1.015 282 R HN 0.240 nan 8.270 nan 0.000 0.498 283 G N -0.579 108.189 108.800 -0.053 0.000 2.715 283 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.221 283 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.221 283 G C -0.104 174.760 174.900 -0.059 0.000 1.204 283 G CA -0.540 44.531 45.100 -0.048 0.000 1.063 283 G HN 0.567 nan 8.290 nan 0.000 0.586 284 G N -2.052 106.704 108.800 -0.072 0.000 2.721 284 G HA2 0.632 4.592 3.960 -0.000 0.000 0.296 284 G HA3 0.632 4.592 3.960 -0.000 0.000 0.296 284 G C -1.594 173.232 174.900 -0.123 0.000 1.383 284 G CA -0.535 44.527 45.100 -0.062 0.000 0.788 284 G HN 0.852 nan 8.290 nan 0.000 0.500 285 Y N 1.302 121.618 120.300 0.026 0.000 2.584 285 Y HA 0.394 4.944 4.550 -0.000 0.000 0.351 285 Y C 1.543 177.469 175.900 0.043 0.000 1.030 285 Y CA 0.421 58.540 58.100 0.031 0.000 1.332 285 Y CB 1.430 39.917 38.460 0.044 0.000 1.148 285 Y HN 0.575 nan 8.280 nan 0.000 0.528 286 A N 1.996 124.878 122.820 0.103 0.000 2.119 286 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 286 A C 1.336 178.977 177.584 0.096 0.000 1.153 286 A CA 1.165 53.252 52.037 0.083 0.000 0.692 286 A CB -0.247 18.762 19.000 0.016 0.000 0.799 286 A HN 0.769 nan 8.150 nan 0.000 0.458 287 D N -0.645 119.814 120.400 0.098 0.000 2.587 287 D HA 0.174 4.814 4.640 -0.000 0.000 0.233 287 D C 0.317 176.695 176.300 0.129 0.000 1.213 287 D CA -0.085 53.899 54.000 -0.028 0.000 0.827 287 D CB -0.066 40.700 40.800 -0.057 0.000 1.006 287 D HN 0.364 nan 8.370 nan 0.000 0.490 288 R N -1.057 119.655 120.500 0.353 0.000 2.764 288 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 288 R C -1.812 174.670 176.300 0.304 0.000 1.014 288 R CA -1.106 55.211 56.100 0.362 0.000 0.904 288 R CB 2.795 33.188 30.300 0.155 0.000 1.236 288 R HN -0.009 nan 8.270 nan 0.000 0.466 289 V N 0.343 120.325 119.914 0.113 0.000 3.023 289 V HA 0.496 4.615 4.120 -0.000 0.000 0.294 289 V C -1.649 174.418 176.094 -0.046 0.000 1.324 289 V CA -0.265 62.011 62.300 -0.040 0.000 0.979 289 V CB 2.716 34.373 31.823 -0.278 0.000 1.093 289 V HN 0.822 nan 8.190 nan 0.000 0.434 290 T N 7.357 121.890 114.554 -0.035 0.000 2.792 290 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 290 T C -0.973 173.705 174.700 -0.037 0.000 0.990 290 T CA -0.448 61.639 62.100 -0.023 0.000 0.960 290 T CB 1.176 70.042 68.868 -0.003 0.000 0.939 290 T HN 0.456 nan 8.240 nan 0.000 0.439 291 L N 3.460 124.661 121.223 -0.036 0.000 2.322 291 L HA 0.586 4.926 4.340 -0.000 0.000 0.279 291 L C 0.440 177.293 176.870 -0.028 0.000 1.036 291 L CA -0.450 54.367 54.840 -0.038 0.000 0.807 291 L CB 1.307 43.341 42.059 -0.042 0.000 1.226 291 L HN 0.569 nan 8.230 nan 0.000 0.433 292 R N 4.073 124.555 120.500 -0.030 0.000 2.435 292 R HA 0.634 4.973 4.340 -0.000 0.000 0.308 292 R C -1.112 175.169 176.300 -0.031 0.000 0.975 292 R CA -0.639 55.443 56.100 -0.031 0.000 0.867 292 R CB 1.916 32.197 30.300 -0.032 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.480 123.686 121.223 -0.028 0.000 2.325 293 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 293 L C 0.029 176.882 176.870 -0.028 0.000 1.023 293 L CA -1.152 53.672 54.840 -0.027 0.000 0.811 293 L CB 1.437 43.485 42.059 -0.019 0.000 1.249 293 L HN 0.448 nan 8.230 nan 0.000 0.431 294 N N 1.525 120.202 118.700 -0.037 0.000 2.509 294 N HA 0.516 5.256 4.740 -0.000 0.000 0.287 294 N C -0.943 174.532 175.510 -0.059 0.000 1.121 294 N CA -0.314 52.709 53.050 -0.044 0.000 0.977 294 N CB 2.602 41.064 38.487 -0.042 0.000 1.167 294 N HN 0.188 nan 8.380 nan 0.000 0.476 295 V N 1.641 121.506 119.914 -0.082 0.000 2.567 295 V HA 0.173 4.293 4.120 -0.000 0.000 0.298 295 V C -0.485 175.537 176.094 -0.119 0.000 1.047 295 V CA -0.836 61.376 62.300 -0.146 0.000 0.880 295 V CB 1.968 33.599 31.823 -0.320 0.000 1.009 295 V HN 0.483 nan 8.190 nan 0.000 0.429 296 E N 3.803 123.953 120.200 -0.084 0.000 2.266 296 E HA 0.351 4.701 4.350 -0.000 0.000 0.277 296 E C 0.050 176.625 176.600 -0.042 0.000 1.018 296 E CA -0.440 55.934 56.400 -0.045 0.000 0.840 296 E CB 0.776 30.459 29.700 -0.027 0.000 1.082 296 E HN 0.691 nan 8.360 nan 0.000 0.395 297 N N 1.550 120.246 118.700 -0.006 0.000 2.669 297 N HA -0.126 4.614 4.740 -0.000 0.000 0.266 297 N C -2.263 173.241 175.510 -0.011 0.000 1.024 297 N CA 0.408 53.466 53.050 0.014 0.000 0.766 297 N CB -1.265 37.232 38.487 0.016 0.000 0.898 297 N HN 0.365 nan 8.380 nan 0.000 0.548 298 P HA 0.113 nan 4.420 nan 0.000 0.274 298 P C -0.168 177.139 177.300 0.012 0.000 1.231 298 P CA -0.046 62.945 63.100 -0.183 0.000 0.790 298 P CB 0.974 32.357 31.700 -0.528 0.000 0.951 299 K N 2.269 122.758 120.400 0.149 0.000 2.292 299 K HA 0.286 4.606 4.320 -0.000 0.000 0.290 299 K C 0.222 176.978 176.600 0.259 0.000 1.083 299 K CA -0.364 56.042 56.287 0.199 0.000 0.918 299 K CB -0.019 32.621 32.500 0.233 0.000 1.089 299 K HN 0.403 nan 8.250 nan 0.000 0.473 300 L N 2.420 123.719 121.223 0.126 0.000 2.461 300 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 300 L C 0.203 177.141 176.870 0.114 0.000 1.197 300 L CA -0.439 54.470 54.840 0.115 0.000 0.836 300 L CB 0.211 42.167 42.059 -0.172 0.000 1.105 300 L HN 0.597 nan 8.230 nan 0.000 0.477 301 W N 3.424 124.749 121.300 0.041 0.000 2.438 301 W HA 0.482 5.142 4.660 -0.000 0.000 0.324 301 W C -0.061 176.424 176.519 -0.056 0.000 1.119 301 W CA 0.088 57.454 57.345 0.034 0.000 1.221 301 W CB 1.332 30.867 29.460 0.124 0.000 1.253 301 W HN 0.646 nan 8.180 nan 0.000 0.555 302 S N 2.710 117.799 115.700 -1.018 0.000 2.636 302 S HA 0.609 5.078 4.470 -0.000 0.000 0.268 302 S C -0.059 173.748 174.600 -1.322 0.000 1.159 302 S CA -0.375 57.306 58.200 -0.864 0.000 0.815 302 S CB 1.019 64.027 63.200 -0.319 0.000 1.130 302 S HN 1.023 nan 8.310 nan 0.000 0.471 303 A N 0.228 122.445 122.820 -1.006 0.000 2.066 303 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 303 A C 1.707 178.988 177.584 -0.506 0.000 1.157 303 A CA 1.243 52.723 52.037 -0.928 0.000 0.670 303 A CB -0.849 17.461 19.000 -1.150 0.000 0.804 303 A HN 0.844 nan 8.150 nan 0.000 0.453 304 E N -0.684 119.344 120.200 -0.287 0.000 2.046 304 E HA 0.071 4.420 4.350 -0.000 0.000 0.190 304 E C -0.265 176.204 176.600 -0.219 0.000 0.982 304 E CA 0.734 57.031 56.400 -0.173 0.000 0.800 304 E CB 0.042 29.776 29.700 0.057 0.000 0.756 304 E HN 0.585 nan 8.360 nan 0.000 0.449 305 I N 1.818 122.233 120.570 -0.259 0.000 2.542 305 I HA 0.155 4.325 4.170 -0.000 0.000 0.278 305 I C -2.419 173.480 176.117 -0.363 0.000 1.069 305 I CA -1.861 59.303 61.300 -0.227 0.000 1.100 305 I CB 2.215 40.134 38.000 -0.135 0.000 1.204 305 I HN -0.180 nan 8.210 nan 0.000 0.470 306 P HA 0.025 nan 4.420 nan 0.000 0.232 306 P C -0.587 176.741 177.300 0.048 0.000 1.738 306 P CA -0.173 62.679 63.100 -0.413 0.000 0.948 306 P CB -0.306 31.307 31.700 -0.146 0.000 1.943 307 N N 1.667 120.410 118.700 0.071 0.000 2.440 307 N HA 0.092 4.832 4.740 -0.000 0.000 0.265 307 N C 0.207 175.977 175.510 0.433 0.000 1.239 307 N CA 0.524 53.697 53.050 0.206 0.000 0.909 307 N CB 0.694 39.293 38.487 0.186 0.000 1.066 307 N HN 0.326 nan 8.380 nan 0.000 0.474 308 L N 2.401 123.813 121.223 0.314 0.000 2.323 308 L HA 0.522 4.862 4.340 -0.000 0.000 0.265 308 L C -0.703 176.334 176.870 0.279 0.000 1.012 308 L CA -0.892 54.171 54.840 0.373 0.000 0.820 308 L CB 1.157 43.379 42.059 0.271 0.000 1.334 308 L HN 0.356 nan 8.230 nan 0.000 0.427 309 Y N -0.073 120.373 120.300 0.243 0.000 2.662 309 Y HA 0.635 5.185 4.550 -0.000 0.000 0.335 309 Y C -0.346 175.672 175.900 0.197 0.000 1.066 309 Y CA -0.975 57.273 58.100 0.246 0.000 1.116 309 Y CB 1.717 40.392 38.460 0.358 0.000 1.308 309 Y HN 0.355 nan 8.280 nan 0.000 0.502 310 R N 1.079 121.806 120.500 0.378 0.000 2.439 310 R HA 0.799 5.139 4.340 -0.000 0.000 0.310 310 R C -1.634 174.848 176.300 0.304 0.000 0.955 310 R CA -0.563 55.694 56.100 0.262 0.000 0.853 310 R CB 1.009 31.405 30.300 0.160 0.000 1.171 310 R HN 0.724 nan 8.270 nan 0.000 0.449 311 A N 4.036 126.982 122.820 0.210 0.000 2.260 311 A HA 0.578 4.897 4.320 -0.000 0.000 0.314 311 A C -0.978 176.668 177.584 0.103 0.000 1.257 311 A CA -0.615 51.526 52.037 0.173 0.000 0.871 311 A CB 1.073 20.149 19.000 0.127 0.000 1.166 311 A HN 0.483 nan 8.150 nan 0.000 0.522 312 V N 4.129 124.111 119.914 0.114 0.000 2.378 312 V HA 0.282 4.402 4.120 -0.000 0.000 0.288 312 V C -0.232 175.843 176.094 -0.031 0.000 1.016 312 V CA -0.505 61.804 62.300 0.015 0.000 0.840 312 V CB 1.476 33.312 31.823 0.021 0.000 0.994 312 V HN 0.613 nan 8.190 nan 0.000 0.431 313 V N 5.058 124.880 119.914 -0.154 0.000 2.348 313 V HA 0.368 4.488 4.120 -0.000 0.000 0.270 313 V C 0.128 176.161 176.094 -0.102 0.000 1.037 313 V CA -0.478 61.708 62.300 -0.189 0.000 0.872 313 V CB 0.973 32.525 31.823 -0.451 0.000 1.002 313 V HN 0.905 nan 8.190 nan 0.000 0.464 314 E N 3.997 124.188 120.200 -0.014 0.000 2.133 314 E HA 0.468 4.817 4.350 -0.000 0.000 0.274 314 E C -0.954 175.724 176.600 0.130 0.000 0.930 314 E CA -0.820 55.618 56.400 0.063 0.000 0.770 314 E CB 2.245 32.003 29.700 0.097 0.000 1.104 314 E HN 0.484 nan 8.360 nan 0.000 0.403 315 L N 5.010 126.290 121.223 0.095 0.000 2.257 315 L HA 0.367 4.707 4.340 -0.000 0.000 0.290 315 L C -0.879 176.078 176.870 0.146 0.000 1.044 315 L CA 0.162 55.054 54.840 0.087 0.000 0.810 315 L CB -0.265 41.835 42.059 0.068 0.000 1.193 315 L HN 0.676 nan 8.230 nan 0.000 0.425 316 H N 0.469 119.581 119.070 0.069 0.000 3.015 316 H HA 0.853 5.409 4.556 -0.000 0.000 0.282 316 H C -0.767 174.635 175.328 0.123 0.000 1.508 316 H CA -0.462 55.631 56.048 0.076 0.000 1.209 316 H CB 0.788 30.575 29.762 0.042 0.000 1.869 316 H HN 0.445 nan 8.280 nan 0.000 0.591 317 T N -2.351 112.337 114.554 0.223 0.000 2.943 317 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 317 T C 1.322 176.174 174.700 0.252 0.000 1.015 317 T CA -0.448 61.780 62.100 0.214 0.000 1.042 317 T CB 1.660 70.619 68.868 0.152 0.000 1.055 317 T HN 0.922 nan 8.240 nan 0.000 0.500 318 A N 1.302 124.233 122.820 0.185 0.000 1.978 318 A HA -0.095 4.224 4.320 -0.000 0.000 0.220 318 A C 1.764 179.431 177.584 0.139 0.000 1.170 318 A CA 1.830 53.962 52.037 0.159 0.000 0.636 318 A CB -1.151 17.923 19.000 0.123 0.000 0.810 318 A HN 0.988 nan 8.150 nan 0.000 0.448 319 D N -1.938 118.521 120.400 0.099 0.000 2.371 319 D HA 0.277 4.916 4.640 -0.000 0.000 0.234 319 D C 1.091 177.425 176.300 0.055 0.000 1.049 319 D CA 0.915 54.947 54.000 0.053 0.000 0.907 319 D CB -0.728 40.077 40.800 0.009 0.000 0.891 319 D HN 0.805 nan 8.370 nan 0.000 0.531 320 G N -0.921 107.943 108.800 0.106 0.000 2.175 320 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 320 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 320 G C 0.272 175.191 174.900 0.032 0.000 0.982 320 G CA 0.216 45.339 45.100 0.040 0.000 0.641 320 G HN 0.448 nan 8.290 nan 0.000 0.527 321 T N 1.732 116.339 114.554 0.087 0.000 2.761 321 T HA 0.494 4.843 4.350 -0.000 0.000 0.296 321 T C 0.364 175.136 174.700 0.121 0.000 0.934 321 T CA -0.234 61.907 62.100 0.068 0.000 1.091 321 T CB 1.869 70.762 68.868 0.041 0.000 0.896 321 T HN 0.588 nan 8.240 nan 0.000 0.515 322 L N 4.738 126.005 121.223 0.074 0.000 2.410 322 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 322 L C 0.704 177.626 176.870 0.087 0.000 1.152 322 L CA 0.418 55.314 54.840 0.094 0.000 0.855 322 L CB 0.033 42.115 42.059 0.039 0.000 1.129 322 L HN 0.713 nan 8.230 nan 0.000 0.463 323 I N 2.467 123.098 120.570 0.103 0.000 3.039 323 I HA 0.210 4.380 4.170 -0.000 0.000 0.270 323 I C 0.288 176.429 176.117 0.039 0.000 1.150 323 I CA 0.303 61.644 61.300 0.068 0.000 1.448 323 I CB 0.294 38.340 38.000 0.076 0.000 1.197 323 I HN 0.813 nan 8.210 nan 0.000 0.450 324 E N 0.453 120.679 120.200 0.042 0.000 2.389 324 E HA 0.585 4.934 4.350 -0.000 0.000 0.281 324 E C -1.966 174.651 176.600 0.027 0.000 1.111 324 E CA -0.786 55.626 56.400 0.020 0.000 0.869 324 E CB 1.381 31.061 29.700 -0.034 0.000 1.259 324 E HN -0.011 nan 8.360 nan 0.000 0.434 325 A N 2.328 125.183 122.820 0.058 0.000 2.449 325 A HA 0.732 5.052 4.320 -0.000 0.000 0.302 325 A C -1.158 176.511 177.584 0.142 0.000 1.048 325 A CA -0.708 51.366 52.037 0.061 0.000 0.708 325 A CB 1.890 20.927 19.000 0.062 0.000 1.274 325 A HN 0.502 nan 8.150 nan 0.000 0.410 326 E N -0.221 119.993 120.200 0.023 0.000 2.359 326 E HA 0.833 5.182 4.350 -0.000 0.000 0.266 326 E C -0.456 176.153 176.600 0.015 0.000 0.920 326 E CA -0.499 55.951 56.400 0.083 0.000 0.788 326 E CB 2.459 32.056 29.700 -0.173 0.000 1.279 326 E HN 1.154 nan 8.360 nan 0.000 0.438 327 A N 0.035 122.995 122.820 0.233 0.000 2.581 327 A HA 0.796 5.116 4.320 -0.000 0.000 0.290 327 A C -1.198 176.574 177.584 0.314 0.000 1.119 327 A CA -0.346 51.776 52.037 0.141 0.000 0.670 327 A CB 0.966 19.993 19.000 0.046 0.000 1.280 327 A HN 0.902 nan 8.150 nan 0.000 0.425 328 C N -0.677 118.765 119.300 0.237 0.000 3.307 328 C HA 0.738 5.198 4.460 -0.000 0.000 0.333 328 C C -1.556 173.526 174.990 0.154 0.000 1.291 328 C CA -0.974 58.181 59.018 0.227 0.000 1.273 328 C CB 0.919 28.821 27.740 0.271 0.000 1.580 328 C HN 0.833 nan 8.230 nan 0.000 0.481 329 D N 1.130 121.602 120.400 0.119 0.000 2.302 329 D HA 0.532 5.172 4.640 -0.000 0.000 0.248 329 D C -0.277 176.070 176.300 0.079 0.000 1.094 329 D CA 0.188 54.260 54.000 0.121 0.000 0.897 329 D CB 1.890 42.764 40.800 0.124 0.000 1.200 329 D HN 0.560 nan 8.370 nan 0.000 0.429 330 V N 0.652 120.636 119.914 0.117 0.000 2.604 330 V HA 0.673 4.793 4.120 -0.000 0.000 0.305 330 V C 0.524 176.664 176.094 0.076 0.000 1.043 330 V CA -0.844 61.465 62.300 0.014 0.000 0.888 330 V CB 2.105 33.901 31.823 -0.045 0.000 0.995 330 V HN 0.643 nan 8.190 nan 0.000 0.429 331 G N 2.826 111.577 108.800 -0.082 0.000 2.675 331 G HA2 0.596 4.555 3.960 -0.000 0.000 0.297 331 G HA3 0.596 4.555 3.960 -0.000 0.000 0.297 331 G C -0.962 174.001 174.900 0.104 0.000 1.399 331 G CA -0.401 44.743 45.100 0.073 0.000 0.981 331 G HN 0.415 nan 8.290 nan 0.000 0.519 332 F N 3.769 123.885 119.950 0.278 0.000 2.487 332 F HA 0.357 4.883 4.527 -0.000 0.000 0.364 332 F C 1.273 177.363 175.800 0.484 0.000 1.126 332 F CA -0.010 58.228 58.000 0.397 0.000 1.135 332 F CB 0.521 39.752 39.000 0.386 0.000 1.127 332 F HN 0.446 nan 8.300 nan 0.000 0.559 333 R N 3.098 123.963 120.500 0.608 0.000 2.643 333 R HA 0.439 4.779 4.340 -0.000 0.000 0.269 333 R C -1.781 174.763 176.300 0.407 0.000 1.037 333 R CA -0.788 55.530 56.100 0.363 0.000 0.894 333 R CB 1.887 32.426 30.300 0.398 0.000 1.238 333 R HN 0.580 nan 8.270 nan 0.000 0.459 334 E N 2.810 123.160 120.200 0.250 0.000 2.176 334 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 334 E C -1.330 175.392 176.600 0.203 0.000 0.893 334 E CA -0.844 55.759 56.400 0.338 0.000 0.761 334 E CB 2.155 32.114 29.700 0.433 0.000 1.133 334 E HN 0.415 nan 8.360 nan 0.000 0.409 335 V N 5.699 125.711 119.914 0.163 0.000 2.384 335 V HA 0.562 4.682 4.120 -0.000 0.000 0.287 335 V C -0.266 175.883 176.094 0.092 0.000 1.020 335 V CA -0.595 61.765 62.300 0.099 0.000 0.850 335 V CB 1.243 33.102 31.823 0.060 0.000 0.987 335 V HN 0.715 nan 8.190 nan 0.000 0.436 336 R N 4.388 124.936 120.500 0.081 0.000 2.594 336 R HA 0.640 4.979 4.340 -0.000 0.000 0.265 336 R C -1.984 174.349 176.300 0.055 0.000 1.070 336 R CA -0.859 55.285 56.100 0.074 0.000 0.909 336 R CB 1.596 31.951 30.300 0.092 0.000 1.243 336 R HN 0.524 nan 8.270 nan 0.000 0.455 337 I N 2.396 122.995 120.570 0.049 0.000 2.304 337 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 337 I C -0.260 175.881 176.117 0.040 0.000 1.018 337 I CA -0.163 61.159 61.300 0.037 0.000 1.260 337 I CB 1.369 39.392 38.000 0.037 0.000 1.390 337 I HN 0.676 nan 8.210 nan 0.000 0.475 338 E N 6.626 126.847 120.200 0.035 0.000 2.246 338 E HA 0.209 4.559 4.350 -0.000 0.000 0.266 338 E C -0.325 176.290 176.600 0.026 0.000 0.880 338 E CA -0.657 55.765 56.400 0.035 0.000 0.762 338 E CB 1.162 30.889 29.700 0.045 0.000 1.180 338 E HN 0.573 nan 8.360 nan 0.000 0.416 339 N N 3.263 121.978 118.700 0.024 0.000 2.740 339 N HA -0.229 4.511 4.740 -0.000 0.000 0.248 339 N C 0.493 176.011 175.510 0.012 0.000 1.062 339 N CA 2.009 55.069 53.050 0.018 0.000 0.704 339 N CB -1.214 37.283 38.487 0.016 0.000 0.968 339 N HN 0.988 nan 8.380 nan 0.000 0.547 340 G N -2.033 106.775 108.800 0.013 0.000 2.179 340 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 340 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 340 G C -0.026 174.872 174.900 -0.004 0.000 0.977 340 G CA 0.587 45.691 45.100 0.006 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.533 341 L N 0.151 121.372 121.223 -0.003 0.000 2.346 341 L HA 0.673 5.012 4.340 -0.000 0.000 0.276 341 L C 0.078 176.941 176.870 -0.012 0.000 1.006 341 L CA -1.317 53.513 54.840 -0.015 0.000 0.817 341 L CB 1.820 43.870 42.059 -0.016 0.000 1.272 341 L HN 0.082 nan 8.230 nan 0.000 0.421 342 L N 4.661 125.865 121.223 -0.032 0.000 2.325 342 L HA 0.365 4.704 4.340 -0.000 0.000 0.284 342 L C -0.686 176.164 176.870 -0.033 0.000 1.089 342 L CA 0.393 55.214 54.840 -0.031 0.000 0.836 342 L CB 0.124 42.149 42.059 -0.056 0.000 1.184 342 L HN 0.372 nan 8.230 nan 0.000 0.444 343 L N 6.023 127.246 121.223 -0.000 0.000 2.307 343 L HA 0.448 4.787 4.340 -0.000 0.000 0.284 343 L C -0.580 176.309 176.870 0.031 0.000 1.023 343 L CA -0.652 54.199 54.840 0.018 0.000 0.810 343 L CB 1.721 43.813 42.059 0.055 0.000 1.231 343 L HN 0.453 nan 8.230 nan 0.000 0.423 344 L N 5.200 126.446 121.223 0.038 0.000 2.316 344 L HA 0.399 4.739 4.340 -0.000 0.000 0.280 344 L C -0.351 176.573 176.870 0.090 0.000 1.006 344 L CA -0.069 54.814 54.840 0.071 0.000 0.836 344 L CB 0.901 42.989 42.059 0.050 0.000 1.221 344 L HN 0.772 nan 8.230 nan 0.000 0.418 345 N N 4.267 122.940 118.700 -0.045 0.000 2.725 345 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 345 N C 1.099 176.349 175.510 -0.433 0.000 1.031 345 N CA 1.202 53.953 53.050 -0.499 0.000 0.720 345 N CB -1.181 36.859 38.487 -0.745 0.000 0.930 345 N HN 1.118 nan 8.380 nan 0.000 0.543 346 G N -1.966 106.853 108.800 0.032 0.000 2.245 346 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 346 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 346 G C 0.053 174.988 174.900 0.058 0.000 0.985 346 G CA 1.016 46.189 45.100 0.121 0.000 0.625 346 G HN 0.399 nan 8.290 nan 0.000 0.536 347 K N 1.276 121.701 120.400 0.042 0.000 2.164 347 K HA 0.519 4.839 4.320 -0.000 0.000 0.258 347 K C -2.589 173.991 176.600 -0.035 0.000 0.951 347 K CA -2.452 53.824 56.287 -0.019 0.000 0.844 347 K CB 2.082 34.508 32.500 -0.124 0.000 1.099 347 K HN 0.150 nan 8.250 nan 0.000 0.435 348 P HA 0.169 nan 4.420 nan 0.000 0.276 348 P C -0.159 177.078 177.300 -0.105 0.000 1.264 348 P CA -0.184 62.874 63.100 -0.070 0.000 0.769 348 P CB 0.536 32.199 31.700 -0.061 0.000 0.840 349 L N 3.651 124.804 121.223 -0.116 0.000 2.472 349 L HA 0.289 4.629 4.340 -0.000 0.000 0.260 349 L C 0.758 177.537 176.870 -0.153 0.000 1.209 349 L CA -0.545 54.210 54.840 -0.141 0.000 0.817 349 L CB 0.211 42.145 42.059 -0.207 0.000 1.106 349 L HN 0.285 nan 8.230 nan 0.000 0.479 350 L N 3.022 124.162 121.223 -0.138 0.000 2.492 350 L HA 0.384 4.724 4.340 -0.000 0.000 0.258 350 L C -0.512 176.273 176.870 -0.141 0.000 1.028 350 L CA -0.238 54.496 54.840 -0.177 0.000 0.900 350 L CB 0.787 42.770 42.059 -0.127 0.000 1.191 350 L HN 0.241 nan 8.230 nan 0.000 0.459 351 I N 4.361 124.788 120.570 -0.238 0.000 2.576 351 I HA 0.089 4.259 4.170 -0.000 0.000 0.288 351 I C 0.692 176.714 176.117 -0.160 0.000 1.126 351 I CA 0.485 61.653 61.300 -0.221 0.000 1.362 351 I CB -0.116 37.652 38.000 -0.387 0.000 1.419 351 I HN 0.534 nan 8.210 nan 0.000 0.533 352 R N 4.901 125.406 120.500 0.009 0.000 3.171 352 R HA 0.439 4.779 4.340 -0.000 0.000 0.241 352 R C 0.598 176.943 176.300 0.075 0.000 1.421 352 R CA -0.260 55.901 56.100 0.100 0.000 1.444 352 R CB 0.700 30.897 30.300 -0.172 0.000 1.247 352 R HN 0.754 nan 8.270 nan 0.000 0.636 353 G N 0.043 108.838 108.800 -0.008 0.000 2.667 353 G HA2 0.621 4.581 3.960 -0.000 0.000 0.310 353 G HA3 0.621 4.581 3.960 -0.000 0.000 0.310 353 G C -1.326 173.818 174.900 0.405 0.000 1.259 353 G CA -0.467 44.646 45.100 0.022 0.000 1.019 353 G HN 0.216 nan 8.290 nan 0.000 0.496 354 V N -0.409 119.746 119.914 0.402 0.000 3.120 354 V HA 0.481 4.601 4.120 -0.000 0.000 0.303 354 V C -1.319 174.906 176.094 0.217 0.000 1.238 354 V CA -1.211 61.256 62.300 0.279 0.000 1.008 354 V CB 2.289 34.030 31.823 -0.138 0.000 1.064 354 V HN 0.755 nan 8.190 nan 0.000 0.434 355 N N 3.983 122.729 118.700 0.077 0.000 2.499 355 N HA 0.442 5.182 4.740 -0.000 0.000 0.281 355 N C -0.740 174.562 175.510 -0.346 0.000 1.098 355 N CA -0.306 52.650 53.050 -0.157 0.000 0.979 355 N CB 1.512 39.870 38.487 -0.214 0.000 1.121 355 N HN 0.625 nan 8.380 nan 0.000 0.466 356 R N 2.126 122.391 120.500 -0.392 0.000 2.500 356 R HA 0.188 4.528 4.340 -0.000 0.000 0.299 356 R C -1.019 175.045 176.300 -0.393 0.000 1.038 356 R CA -0.546 55.344 56.100 -0.351 0.000 0.903 356 R CB 0.605 30.676 30.300 -0.381 0.000 1.177 356 R HN 0.580 nan 8.270 nan 0.000 0.455 357 H N 2.345 121.253 119.070 -0.269 0.000 2.562 357 H HA 0.103 4.659 4.556 -0.000 0.000 0.352 357 H C -0.398 174.925 175.328 -0.008 0.000 1.125 357 H CA 0.212 56.198 56.048 -0.102 0.000 1.379 357 H CB 1.370 31.119 29.762 -0.022 0.000 1.464 357 H HN 0.563 nan 8.280 nan 0.000 0.563 358 E N 2.773 123.140 120.200 0.278 0.000 1.932 358 E HA 0.056 4.406 4.350 -0.000 0.000 0.275 358 E C -0.518 176.223 176.600 0.235 0.000 1.159 358 E CA 0.036 56.534 56.400 0.163 0.000 0.905 358 E CB 0.205 30.009 29.700 0.174 0.000 1.059 358 E HN 0.406 nan 8.360 nan 0.000 0.400 359 H N 1.694 120.811 119.070 0.077 0.000 2.771 359 H HA 0.243 4.799 4.556 -0.000 0.000 0.361 359 H C -1.505 173.848 175.328 0.042 0.000 1.108 359 H CA -0.662 55.421 56.048 0.059 0.000 1.201 359 H CB 1.122 30.905 29.762 0.036 0.000 1.681 359 H HN 0.382 nan 8.280 nan 0.000 0.534 360 H N 6.331 125.050 119.070 -0.584 0.000 2.609 360 H HA 0.209 4.765 4.556 -0.000 0.000 0.344 360 H C -2.203 172.758 175.328 -0.613 0.000 1.040 360 H CA -2.444 53.351 56.048 -0.423 0.000 1.216 360 H CB 2.655 32.275 29.762 -0.237 0.000 1.529 360 H HN 0.569 nan 8.280 nan 0.000 0.519 361 P HA -0.082 nan 4.420 nan 0.000 0.223 361 P C 0.868 178.101 177.300 -0.112 0.000 1.144 361 P CA 0.897 63.859 63.100 -0.230 0.000 0.783 361 P CB 0.828 32.416 31.700 -0.186 0.000 0.771 362 L N -2.516 118.783 121.223 0.127 0.000 2.730 362 L HA 0.209 4.549 4.340 -0.000 0.000 0.236 362 L C 2.065 178.974 176.870 0.065 0.000 1.061 362 L CA 0.165 55.035 54.840 0.050 0.000 0.898 362 L CB -0.375 41.696 42.059 0.020 0.000 1.270 362 L HN -0.035 nan 8.230 nan 0.000 0.500 363 H N -0.110 118.882 119.070 -0.130 0.000 2.529 363 H HA 0.285 4.841 4.556 -0.000 0.000 0.277 363 H C 1.431 176.631 175.328 -0.212 0.000 1.004 363 H CA 0.055 55.939 56.048 -0.274 0.000 1.167 363 H CB 0.598 30.047 29.762 -0.520 0.000 1.445 363 H HN 0.383 nan 8.280 nan 0.000 0.554 364 G N 1.826 110.547 108.800 -0.132 0.000 2.557 364 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.292 364 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.292 364 G C 0.406 175.201 174.900 -0.174 0.000 1.162 364 G CA 0.230 45.191 45.100 -0.232 0.000 0.964 364 G HN 0.477 nan 8.290 nan 0.000 0.541 365 Q N 0.035 119.767 119.800 -0.113 0.000 2.206 365 Q HA 0.521 4.861 4.340 -0.000 0.000 0.265 365 Q C -0.362 175.712 176.000 0.124 0.000 0.866 365 Q CA -0.213 55.575 55.803 -0.024 0.000 1.073 365 Q CB 1.607 30.256 28.738 -0.150 0.000 1.165 365 Q HN 0.356 nan 8.270 nan 0.000 0.465 366 V N 1.829 121.801 119.914 0.097 0.000 2.350 366 V HA 0.296 4.416 4.120 -0.000 0.000 0.276 366 V C 0.083 176.240 176.094 0.104 0.000 1.028 366 V CA -0.390 61.984 62.300 0.122 0.000 0.860 366 V CB 1.095 32.929 31.823 0.017 0.000 0.990 366 V HN 0.419 nan 8.190 nan 0.000 0.453 367 M N 5.043 124.708 119.600 0.108 0.000 2.342 367 M HA 0.501 4.981 4.480 -0.000 0.000 0.332 367 M C -0.284 176.002 176.300 -0.023 0.000 1.166 367 M CA -0.227 55.099 55.300 0.043 0.000 1.086 367 M CB 1.501 34.089 32.600 -0.020 0.000 1.541 367 M HN 0.834 nan 8.290 nan 0.000 0.462 368 D N -0.093 120.302 120.400 -0.009 0.000 2.661 368 D HA 0.185 4.825 4.640 -0.000 0.000 0.228 368 D C 0.073 176.376 176.300 0.006 0.000 1.183 368 D CA -0.480 53.519 54.000 -0.002 0.000 0.844 368 D CB 1.618 42.460 40.800 0.071 0.000 1.555 368 D HN 0.693 nan 8.370 nan 0.000 0.453 369 E N 0.617 120.825 120.200 0.014 0.000 2.086 369 E HA -0.318 4.032 4.350 -0.000 0.000 0.200 369 E C 1.684 178.329 176.600 0.075 0.000 1.012 369 E CA 1.731 58.160 56.400 0.050 0.000 0.812 369 E CB 0.185 29.928 29.700 0.073 0.000 0.743 369 E HN 0.537 nan 8.360 nan 0.000 0.453 370 Q N -0.594 119.256 119.800 0.083 0.000 2.030 370 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 370 Q C 2.153 178.211 176.000 0.096 0.000 0.986 370 Q CA 2.377 58.234 55.803 0.089 0.000 0.843 370 Q CB -0.046 28.748 28.738 0.094 0.000 0.904 370 Q HN 0.292 nan 8.270 nan 0.000 0.420 371 T N 0.643 115.267 114.554 0.117 0.000 2.788 371 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 371 T C 1.762 176.544 174.700 0.138 0.000 1.044 371 T CA 1.417 63.592 62.100 0.125 0.000 1.139 371 T CB -0.123 68.843 68.868 0.164 0.000 0.867 371 T HN 0.282 nan 8.240 nan 0.000 0.454 372 M N 0.528 120.219 119.600 0.152 0.000 2.059 372 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 372 M C 2.512 178.908 176.300 0.159 0.000 1.072 372 M CA 1.462 56.919 55.300 0.262 0.000 1.117 372 M CB -0.764 32.013 32.600 0.295 0.000 1.320 372 M HN 0.082 nan 8.290 nan 0.000 0.408 373 V N 0.539 120.477 119.914 0.039 0.000 2.380 373 V HA -0.328 3.791 4.120 -0.000 0.000 0.251 373 V C 2.350 178.398 176.094 -0.077 0.000 1.063 373 V CA 2.268 64.503 62.300 -0.107 0.000 1.055 373 V CB -1.108 30.691 31.823 -0.041 0.000 0.657 373 V HN 0.583 nan 8.190 nan 0.000 0.455 374 Q N 0.037 119.857 119.800 0.033 0.000 2.002 374 Q HA -0.279 4.061 4.340 -0.000 0.000 0.204 374 Q C 2.075 178.142 176.000 0.113 0.000 0.988 374 Q CA 2.342 58.187 55.803 0.070 0.000 0.843 374 Q CB -0.254 28.540 28.738 0.093 0.000 0.908 374 Q HN 0.616 nan 8.270 nan 0.000 0.420 375 D N 0.561 121.070 120.400 0.181 0.000 2.106 375 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 375 D C 1.999 178.300 176.300 0.002 0.000 0.997 375 D CA 1.554 55.713 54.000 0.264 0.000 0.834 375 D CB -0.374 40.595 40.800 0.281 0.000 0.956 375 D HN 0.396 nan 8.370 nan 0.000 0.448 376 I N 0.643 121.171 120.570 -0.069 0.000 2.194 376 I HA -0.271 3.899 4.170 -0.000 0.000 0.246 376 I C 2.495 178.487 176.117 -0.209 0.000 1.093 376 I CA 0.772 61.920 61.300 -0.253 0.000 1.355 376 I CB -0.231 37.480 38.000 -0.482 0.000 1.046 376 I HN 0.030 nan 8.210 nan 0.000 0.413 377 L N 0.057 121.204 121.223 -0.127 0.000 2.027 377 L HA -0.221 4.118 4.340 -0.000 0.000 0.206 377 L C 2.609 179.544 176.870 0.108 0.000 1.074 377 L CA 1.362 56.217 54.840 0.025 0.000 0.745 377 L CB -0.600 41.495 42.059 0.060 0.000 0.898 377 L HN 0.275 nan 8.230 nan 0.000 0.433 378 L N -0.809 120.501 121.223 0.145 0.000 2.013 378 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 378 L C 2.735 179.743 176.870 0.230 0.000 1.073 378 L CA 1.567 56.567 54.840 0.267 0.000 0.753 378 L CB -0.359 41.981 42.059 0.469 0.000 0.890 378 L HN 0.294 nan 8.230 nan 0.000 0.432 379 M N -0.590 118.980 119.600 -0.051 0.000 2.065 379 M HA -0.269 4.210 4.480 -0.000 0.000 0.259 379 M C 2.297 178.642 176.300 0.076 0.000 1.071 379 M CA 1.948 57.112 55.300 -0.227 0.000 1.109 379 M CB -0.374 31.876 32.600 -0.584 0.000 1.313 379 M HN 0.072 nan 8.290 nan 0.000 0.408 380 K N -0.195 120.162 120.400 -0.072 0.000 2.147 380 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 380 K C 1.985 178.527 176.600 -0.097 0.000 1.049 380 K CA 1.260 57.397 56.287 -0.251 0.000 0.936 380 K CB -0.224 31.911 32.500 -0.609 0.000 0.722 380 K HN 0.476 nan 8.250 nan 0.000 0.446 381 Q N 0.352 120.261 119.800 0.182 0.000 2.224 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 381 Q C 0.749 177.009 176.000 0.434 0.000 0.970 381 Q CA 0.741 56.749 55.803 0.342 0.000 0.865 381 Q CB 0.172 29.081 28.738 0.284 0.000 0.922 381 Q HN 0.258 nan 8.270 nan 0.000 0.445 382 N N 1.079 120.010 118.700 0.384 0.000 2.376 382 N HA 0.048 4.787 4.740 -0.000 0.000 0.249 382 N C -0.836 174.823 175.510 0.247 0.000 1.140 382 N CA 0.028 53.317 53.050 0.398 0.000 0.870 382 N CB 0.580 39.375 38.487 0.514 0.000 1.124 382 N HN 0.150 nan 8.380 nan 0.000 0.505 383 N N 0.397 119.230 118.700 0.221 0.000 2.738 383 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 383 N C -1.008 174.470 175.510 -0.053 0.000 1.047 383 N CA 0.941 54.090 53.050 0.166 0.000 0.707 383 N CB -1.753 36.800 38.487 0.111 0.000 0.937 383 N HN 0.282 nan 8.380 nan 0.000 0.545 384 F N 0.603 120.565 119.950 0.020 0.000 2.425 384 F HA 0.395 4.922 4.527 -0.000 0.000 0.331 384 F C 1.616 177.392 175.800 -0.041 0.000 1.085 384 F CA -0.767 57.221 58.000 -0.020 0.000 1.028 384 F CB 1.215 40.162 39.000 -0.090 0.000 1.177 384 F HN 0.072 nan 8.300 nan 0.000 0.487 385 N N 0.430 119.227 118.700 0.161 0.000 2.118 385 N HA 0.433 5.172 4.740 -0.000 0.000 0.226 385 N C -0.895 174.650 175.510 0.059 0.000 1.305 385 N CA -0.009 53.067 53.050 0.043 0.000 0.890 385 N CB 0.790 39.349 38.487 0.121 0.000 1.118 385 N HN 0.465 nan 8.380 nan 0.000 0.511 386 A N -0.403 122.511 122.820 0.157 0.000 2.587 386 A HA 0.802 5.122 4.320 -0.000 0.000 0.293 386 A C -1.682 176.081 177.584 0.298 0.000 1.087 386 A CA -0.716 51.468 52.037 0.245 0.000 0.692 386 A CB 1.910 21.050 19.000 0.234 0.000 1.291 386 A HN 0.265 nan 8.150 nan 0.000 0.407 387 V N 0.989 121.162 119.914 0.432 0.000 2.971 387 V HA 0.782 4.901 4.120 -0.000 0.000 0.309 387 V C -0.925 175.350 176.094 0.301 0.000 1.130 387 V CA -0.736 61.786 62.300 0.369 0.000 0.964 387 V CB 2.000 33.955 31.823 0.220 0.000 1.029 387 V HN 1.060 nan 8.190 nan 0.000 0.427 388 R N 4.623 125.152 120.500 0.048 0.000 2.343 388 R HA 0.454 4.794 4.340 -0.000 0.000 0.320 388 R C -0.687 175.461 176.300 -0.252 0.000 0.956 388 R CA -0.515 55.422 56.100 -0.271 0.000 0.836 388 R CB 1.145 31.061 30.300 -0.640 0.000 1.151 388 R HN 0.852 nan 8.270 nan 0.000 0.450 389 C N 3.983 123.154 119.300 -0.216 0.000 3.585 389 C HA 0.073 4.533 4.460 -0.000 0.000 0.575 389 C C 0.819 175.509 174.990 -0.500 0.000 1.068 389 C CA -0.456 58.375 59.018 -0.311 0.000 1.113 389 C CB -2.296 25.365 27.740 -0.132 0.000 1.381 389 C HN 0.668 nan 8.230 nan 0.000 0.635 390 S N 0.999 116.289 115.700 -0.683 0.000 2.481 390 S HA 0.129 4.598 4.470 -0.000 0.000 0.282 390 S C -0.087 173.589 174.600 -1.539 0.000 1.243 390 S CA 0.274 57.797 58.200 -1.129 0.000 1.078 390 S CB 0.074 62.567 63.200 -1.179 0.000 0.916 390 S HN 0.720 nan 8.310 nan 0.000 0.495 391 H N 3.748 122.105 119.070 -1.188 0.000 2.511 391 H HA 0.309 4.865 4.556 -0.000 0.000 0.228 391 H C -1.172 173.987 175.328 -0.282 0.000 1.424 391 H CA -0.339 55.448 56.048 -0.436 0.000 1.321 391 H CB -0.069 29.654 29.762 -0.065 0.000 1.720 391 H HN 0.891 nan 8.280 nan 0.000 0.512 392 Y N -3.075 117.309 120.300 0.140 0.000 2.765 392 Y HA 0.377 4.927 4.550 -0.000 0.000 0.350 392 Y C -3.377 172.617 175.900 0.157 0.000 1.196 392 Y CA -3.122 55.075 58.100 0.161 0.000 1.119 392 Y CB -0.040 38.523 38.460 0.172 0.000 1.368 392 Y HN -0.090 nan 8.280 nan 0.000 0.463 393 P HA 0.149 nan 4.420 nan 0.000 0.265 393 P C -0.663 176.923 177.300 0.478 0.000 1.193 393 P CA 0.387 63.741 63.100 0.424 0.000 0.765 393 P CB 0.543 32.425 31.700 0.304 0.000 0.823 394 N N 1.076 120.065 118.700 0.483 0.000 2.408 394 N HA 0.074 4.813 4.740 -0.000 0.000 0.260 394 N C 0.038 175.827 175.510 0.466 0.000 1.242 394 N CA -0.279 52.973 53.050 0.337 0.000 0.959 394 N CB 0.072 38.521 38.487 -0.064 0.000 1.201 394 N HN 0.480 nan 8.380 nan 0.000 0.511 395 H N 2.525 121.732 119.070 0.228 0.000 3.064 395 H HA -0.014 4.542 4.556 -0.000 0.000 0.329 395 H C -1.514 174.023 175.328 0.347 0.000 1.020 395 H CA -0.878 55.292 56.048 0.204 0.000 1.402 395 H CB 0.775 30.618 29.762 0.135 0.000 1.379 395 H HN 0.456 nan 8.280 nan 0.000 0.594 396 P HA -0.249 nan 4.420 nan 0.000 0.218 396 P C 1.801 179.413 177.300 0.520 0.000 1.152 396 P CA 0.946 64.244 63.100 0.331 0.000 0.857 396 P CB 0.264 31.990 31.700 0.044 0.000 0.787 397 L N -0.712 120.934 121.223 0.705 0.000 2.083 397 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 397 L C 2.547 179.624 176.870 0.344 0.000 1.083 397 L CA 1.524 56.640 54.840 0.461 0.000 0.752 397 L CB -1.661 40.605 42.059 0.345 0.000 0.899 397 L HN 0.033 nan 8.230 nan 0.000 0.433 398 W N -0.257 121.146 121.300 0.172 0.000 2.302 398 W HA -0.366 4.294 4.660 -0.000 0.000 0.320 398 W C 2.270 178.723 176.519 -0.111 0.000 1.241 398 W CA 2.347 59.668 57.345 -0.040 0.000 1.264 398 W CB -0.615 28.741 29.460 -0.172 0.000 1.154 398 W HN 0.282 nan 8.180 nan 0.000 0.483 399 Y N 0.911 121.158 120.300 -0.087 0.000 2.207 399 Y HA -0.241 4.309 4.550 -0.000 0.000 0.287 399 Y C 2.876 178.552 175.900 -0.373 0.000 1.156 399 Y CA 2.322 60.149 58.100 -0.454 0.000 1.182 399 Y CB -1.380 36.481 38.460 -0.998 0.000 0.979 399 Y HN -0.180 nan 8.280 nan 0.000 0.521 400 T N 0.592 115.184 114.554 0.064 0.000 2.746 400 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 400 T C 2.016 176.775 174.700 0.099 0.000 1.039 400 T CA 1.410 63.633 62.100 0.204 0.000 1.142 400 T CB -0.519 68.506 68.868 0.262 0.000 0.866 400 T HN 0.236 nan 8.240 nan 0.000 0.444 401 L N 0.291 121.509 121.223 -0.008 0.000 2.027 401 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 401 L C 2.878 179.712 176.870 -0.060 0.000 1.074 401 L CA 0.947 55.787 54.840 -0.000 0.000 0.745 401 L CB -0.708 41.264 42.059 -0.144 0.000 0.898 401 L HN 0.339 nan 8.230 nan 0.000 0.433 402 C N -0.167 118.920 119.300 -0.356 0.000 2.410 402 C HA -0.158 4.301 4.460 -0.000 0.000 0.281 402 C C 2.348 177.375 174.990 0.062 0.000 1.318 402 C CA 0.476 59.332 59.018 -0.270 0.000 1.776 402 C CB -0.921 26.552 27.740 -0.445 0.000 1.942 402 C HN 0.534 nan 8.230 nan 0.000 0.508 403 D N 0.461 120.914 120.400 0.089 0.000 2.084 403 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 403 D C 2.454 178.969 176.300 0.358 0.000 0.985 403 D CA 1.194 55.322 54.000 0.213 0.000 0.826 403 D CB -0.265 40.633 40.800 0.164 0.000 0.978 403 D HN 0.492 nan 8.370 nan 0.000 0.456 404 R N -0.979 119.642 120.500 0.202 0.000 2.093 404 R HA -0.022 4.318 4.340 -0.000 0.000 0.224 404 R C 2.117 178.410 176.300 -0.012 0.000 1.101 404 R CA 0.649 56.811 56.100 0.103 0.000 0.979 404 R CB -0.248 30.060 30.300 0.012 0.000 0.877 404 R HN 0.284 nan 8.270 nan 0.000 0.441 405 Y N 0.146 120.460 120.300 0.024 0.000 2.475 405 Y HA 0.140 4.690 4.550 -0.000 0.000 0.289 405 Y C 1.017 176.849 175.900 -0.114 0.000 1.121 405 Y CA 0.982 59.065 58.100 -0.028 0.000 1.257 405 Y CB 0.544 38.955 38.460 -0.082 0.000 1.026 405 Y HN 0.264 nan 8.280 nan 0.000 0.555 406 G N 1.090 109.915 108.800 0.040 0.000 2.830 406 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.298 406 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.298 406 G C -1.161 173.584 174.900 -0.259 0.000 1.031 406 G CA -0.505 44.486 45.100 -0.182 0.000 1.179 406 G HN 0.161 nan 8.290 nan 0.000 0.527 407 L N 1.387 122.532 121.223 -0.131 0.000 2.493 407 L HA 0.410 4.750 4.340 -0.000 0.000 0.265 407 L C -0.519 176.370 176.870 0.031 0.000 0.954 407 L CA -1.273 53.469 54.840 -0.163 0.000 0.844 407 L CB 1.848 43.828 42.059 -0.131 0.000 1.302 407 L HN 0.371 nan 8.230 nan 0.000 0.405 408 Y N 2.494 122.921 120.300 0.212 0.000 2.402 408 Y HA 0.348 4.898 4.550 -0.000 0.000 0.333 408 Y C 0.330 176.362 175.900 0.219 0.000 1.076 408 Y CA -0.496 57.761 58.100 0.262 0.000 1.299 408 Y CB 0.899 39.487 38.460 0.215 0.000 1.197 408 Y HN 0.112 nan 8.280 nan 0.000 0.517 409 V N 4.176 124.281 119.914 0.319 0.000 2.581 409 V HA 0.439 4.559 4.120 -0.000 0.000 0.303 409 V C -0.469 175.708 176.094 0.139 0.000 1.041 409 V CA -1.102 61.323 62.300 0.209 0.000 0.907 409 V CB 1.957 33.854 31.823 0.123 0.000 0.994 409 V HN 0.435 nan 8.190 nan 0.000 0.442 410 V N 2.886 122.855 119.914 0.091 0.000 2.311 410 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 410 V C -0.355 175.769 176.094 0.050 0.000 1.022 410 V CA -0.375 61.929 62.300 0.006 0.000 0.830 410 V CB 1.320 33.043 31.823 -0.166 0.000 1.012 410 V HN 0.879 nan 8.190 nan 0.000 0.452 411 D N 4.189 124.658 120.400 0.115 0.000 2.316 411 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 411 D C -0.105 176.398 176.300 0.339 0.000 1.171 411 D CA 0.090 54.266 54.000 0.294 0.000 0.856 411 D CB 1.051 42.095 40.800 0.405 0.000 1.090 411 D HN 0.671 nan 8.370 nan 0.000 0.476 412 E N 2.091 122.442 120.200 0.251 0.000 2.176 412 E HA 0.587 4.936 4.350 -0.000 0.000 0.267 412 E C -0.853 175.884 176.600 0.228 0.000 0.893 412 E CA -1.055 55.477 56.400 0.220 0.000 0.761 412 E CB 1.268 31.047 29.700 0.131 0.000 1.133 412 E HN 0.477 nan 8.360 nan 0.000 0.409 413 A N 3.968 126.915 122.820 0.212 0.000 2.507 413 A HA 0.002 4.322 4.320 -0.000 0.000 0.235 413 A C 0.350 178.053 177.584 0.199 0.000 1.070 413 A CA -0.145 51.994 52.037 0.171 0.000 0.768 413 A CB 0.114 19.175 19.000 0.103 0.000 1.011 413 A HN 0.721 nan 8.150 nan 0.000 0.502 414 N N 0.929 119.753 118.700 0.206 0.000 2.895 414 N HA 0.304 5.043 4.740 -0.000 0.000 0.277 414 N C -1.031 174.600 175.510 0.203 0.000 1.185 414 N CA 0.218 53.420 53.050 0.255 0.000 1.106 414 N CB -0.757 37.882 38.487 0.253 0.000 1.422 414 N HN 0.460 nan 8.380 nan 0.000 0.521 415 I N 1.023 121.709 120.570 0.194 0.000 2.540 415 I HA 0.234 4.404 4.170 -0.000 0.000 0.280 415 I C -0.632 175.580 176.117 0.157 0.000 1.083 415 I CA -0.503 60.894 61.300 0.162 0.000 1.080 415 I CB 1.491 39.564 38.000 0.121 0.000 1.205 415 I HN 0.242 nan 8.210 nan 0.000 0.459 416 E N 4.079 124.363 120.200 0.140 0.000 2.263 416 E HA 0.470 4.819 4.350 -0.000 0.000 0.268 416 E C -0.391 176.248 176.600 0.065 0.000 0.884 416 E CA -0.370 56.077 56.400 0.078 0.000 0.766 416 E CB 1.954 31.664 29.700 0.017 0.000 1.196 416 E HN 0.591 nan 8.360 nan 0.000 0.416 417 T N 0.477 115.051 114.554 0.034 0.000 3.442 417 T HA 0.128 4.477 4.350 -0.000 0.000 0.295 417 T C 0.874 175.533 174.700 -0.069 0.000 1.007 417 T CA -0.413 61.717 62.100 0.049 0.000 0.962 417 T CB 0.269 69.180 68.868 0.072 0.000 1.187 417 T HN 0.576 nan 8.240 nan 0.000 0.490 418 E N 1.283 121.384 120.200 -0.165 0.000 2.339 418 E HA -0.122 4.228 4.350 -0.000 0.000 0.201 418 E C 1.984 178.428 176.600 -0.260 0.000 1.015 418 E CA 1.482 57.758 56.400 -0.208 0.000 0.841 418 E CB -0.713 28.834 29.700 -0.254 0.000 0.754 418 E HN 0.709 nan 8.360 nan 0.000 0.508 419 G N 0.316 108.861 108.800 -0.425 0.000 2.572 419 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 419 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 419 G C 0.794 175.717 174.900 0.039 0.000 1.133 419 G CA -0.113 44.749 45.100 -0.397 0.000 0.791 419 G HN 0.089 nan 8.290 nan 0.000 0.538 420 M N 0.333 120.016 119.600 0.137 0.000 2.167 420 M HA 0.359 4.839 4.480 -0.000 0.000 0.300 420 M C -0.418 175.883 176.300 0.002 0.000 1.171 420 M CA -0.141 55.222 55.300 0.104 0.000 1.171 420 M CB 1.247 33.867 32.600 0.033 0.000 1.396 420 M HN -0.168 nan 8.290 nan 0.000 0.466 421 V N 2.628 122.532 119.914 -0.018 0.000 2.532 421 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 421 V C -2.075 173.995 176.094 -0.040 0.000 1.036 421 V CA -1.301 60.977 62.300 -0.036 0.000 0.876 421 V CB 1.753 33.554 31.823 -0.036 0.000 1.012 421 V HN 0.740 nan 8.190 nan 0.000 0.432 422 P HA 0.213 nan 4.420 nan 0.000 0.272 422 P C 1.025 178.303 177.300 -0.036 0.000 1.240 422 P CA -0.488 62.589 63.100 -0.039 0.000 0.791 422 P CB 1.133 32.815 31.700 -0.030 0.000 0.978 423 M N 1.072 120.650 119.600 -0.036 0.000 2.337 423 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 423 M C 1.082 177.387 176.300 0.009 0.000 1.067 423 M CA 1.850 57.136 55.300 -0.024 0.000 1.074 423 M CB -0.428 32.152 32.600 -0.032 0.000 1.395 423 M HN 0.372 nan 8.290 nan 0.000 0.431 424 N N -0.328 118.381 118.700 0.015 0.000 2.273 424 N HA -0.027 4.713 4.740 -0.000 0.000 0.231 424 N C 1.016 176.503 175.510 -0.038 0.000 1.134 424 N CA -0.043 53.024 53.050 0.029 0.000 0.856 424 N CB -0.614 37.920 38.487 0.078 0.000 1.068 424 N HN 0.390 nan 8.380 nan 0.000 0.510 425 R N 0.286 120.743 120.500 -0.071 0.000 2.127 425 R HA 0.044 4.383 4.340 -0.000 0.000 0.238 425 R C 1.261 177.451 176.300 -0.183 0.000 1.134 425 R CA 1.130 57.165 56.100 -0.109 0.000 0.975 425 R CB 0.076 30.308 30.300 -0.115 0.000 0.865 425 R HN 0.272 nan 8.270 nan 0.000 0.447 426 L N -0.779 120.280 121.223 -0.274 0.000 2.200 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.200 426 L C 2.430 179.157 176.870 -0.238 0.000 1.072 426 L CA 1.209 55.767 54.840 -0.470 0.000 0.787 426 L CB -0.541 41.019 42.059 -0.832 0.000 0.957 426 L HN 0.314 nan 8.230 nan 0.000 0.459 427 T N -3.850 110.595 114.554 -0.181 0.000 3.025 427 T HA -0.208 4.142 4.350 -0.000 0.000 0.270 427 T C 1.161 175.776 174.700 -0.141 0.000 1.126 427 T CA 1.591 63.570 62.100 -0.201 0.000 1.105 427 T CB -0.281 68.411 68.868 -0.294 0.000 0.884 427 T HN 0.204 nan 8.240 nan 0.000 0.522 428 D N 0.621 120.973 120.400 -0.079 0.000 2.398 428 D HA 0.089 4.729 4.640 -0.000 0.000 0.210 428 D C -0.200 176.084 176.300 -0.026 0.000 1.094 428 D CA -0.339 53.629 54.000 -0.053 0.000 0.839 428 D CB 0.049 40.822 40.800 -0.046 0.000 0.963 428 D HN 0.294 nan 8.370 nan 0.000 0.506 429 D N 0.415 120.812 120.400 -0.004 0.000 2.313 429 D HA 0.099 4.739 4.640 -0.000 0.000 0.239 429 D C -1.485 174.870 176.300 0.090 0.000 1.142 429 D CA -2.232 51.801 54.000 0.056 0.000 0.847 429 D CB 1.808 42.677 40.800 0.115 0.000 1.082 429 D HN 0.006 nan 8.370 nan 0.000 0.480 430 P HA -0.186 nan 4.420 nan 0.000 0.221 430 P C 1.304 178.615 177.300 0.018 0.000 1.145 430 P CA 0.573 63.688 63.100 0.024 0.000 0.795 430 P CB 0.319 32.022 31.700 0.004 0.000 0.775 431 R N -0.831 119.691 120.500 0.037 0.000 2.189 431 R HA -0.112 4.228 4.340 -0.000 0.000 0.223 431 R C 1.196 177.388 176.300 -0.179 0.000 1.092 431 R CA 1.154 57.215 56.100 -0.066 0.000 0.989 431 R CB -0.376 29.889 30.300 -0.059 0.000 0.876 431 R HN 0.222 nan 8.270 nan 0.000 0.457 432 W N -0.169 121.080 121.300 -0.085 0.000 3.220 432 W HA 0.111 4.770 4.660 -0.000 0.000 0.328 432 W C 1.372 177.837 176.519 -0.091 0.000 1.205 432 W CA -0.594 56.700 57.345 -0.085 0.000 1.773 432 W CB 0.061 29.468 29.460 -0.089 0.000 1.086 432 W HN 0.064 nan 8.180 nan 0.000 0.622 433 L N 2.096 123.354 121.223 0.058 0.000 2.079 433 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 433 L C -0.724 176.118 176.870 -0.046 0.000 1.081 433 L CA 2.237 57.073 54.840 -0.007 0.000 0.752 433 L CB -1.582 40.461 42.059 -0.027 0.000 0.896 433 L HN -0.215 nan 8.230 nan 0.000 0.433 434 P HA -0.143 nan 4.420 nan 0.000 0.213 434 P C 1.673 178.925 177.300 -0.080 0.000 1.170 434 P CA 2.136 65.180 63.100 -0.094 0.000 0.893 434 P CB -0.218 31.411 31.700 -0.118 0.000 0.784 435 A N -0.847 121.936 122.820 -0.061 0.000 1.892 435 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 435 A C 2.244 179.845 177.584 0.028 0.000 1.188 435 A CA 2.405 54.442 52.037 0.001 0.000 0.631 435 A CB -1.620 17.422 19.000 0.070 0.000 0.822 435 A HN 0.100 nan 8.150 nan 0.000 0.447 436 M N -0.904 118.723 119.600 0.046 0.000 2.067 436 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 436 M C 2.564 178.810 176.300 -0.090 0.000 1.069 436 M CA 1.796 57.093 55.300 -0.004 0.000 1.117 436 M CB -0.503 32.076 32.600 -0.034 0.000 1.334 436 M HN 0.575 nan 8.290 nan 0.000 0.407 437 S N 0.571 116.190 115.700 -0.135 0.000 2.390 437 S HA -0.262 4.208 4.470 -0.000 0.000 0.234 437 S C 1.686 176.117 174.600 -0.282 0.000 1.063 437 S CA 2.123 60.175 58.200 -0.247 0.000 1.108 437 S CB -0.411 62.647 63.200 -0.237 0.000 0.975 437 S HN 0.519 nan 8.310 nan 0.000 0.442 438 E N -0.030 120.056 120.200 -0.190 0.000 2.204 438 E HA -0.102 4.247 4.350 -0.000 0.000 0.195 438 E C 2.367 178.883 176.600 -0.140 0.000 0.990 438 E CA 0.832 57.130 56.400 -0.171 0.000 0.821 438 E CB -0.111 29.523 29.700 -0.111 0.000 0.750 438 E HN 0.554 nan 8.360 nan 0.000 0.477 439 R N -0.039 120.403 120.500 -0.095 0.000 2.236 439 R HA -0.002 4.338 4.340 -0.000 0.000 0.208 439 R C 2.028 178.285 176.300 -0.073 0.000 1.036 439 R CA 0.286 56.361 56.100 -0.042 0.000 1.001 439 R CB 0.306 30.619 30.300 0.023 0.000 0.896 439 R HN 0.006 nan 8.270 nan 0.000 0.464 440 V N -0.024 119.792 119.914 -0.163 0.000 2.490 440 V HA -0.150 3.969 4.120 -0.000 0.000 0.238 440 V C 2.414 178.306 176.094 -0.337 0.000 1.056 440 V CA 2.001 64.174 62.300 -0.211 0.000 1.075 440 V CB -0.125 31.554 31.823 -0.240 0.000 0.746 440 V HN 0.432 nan 8.190 nan 0.000 0.479 441 T N -0.353 113.873 114.554 -0.547 0.000 2.720 441 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 441 T C 1.911 176.456 174.700 -0.259 0.000 1.037 441 T CA 1.601 63.311 62.100 -0.650 0.000 1.144 441 T CB -0.449 67.915 68.868 -0.840 0.000 0.864 441 T HN 0.386 nan 8.240 nan 0.000 0.444 442 R N 0.339 120.713 120.500 -0.210 0.000 2.148 442 R HA 0.197 4.537 4.340 -0.000 0.000 0.227 442 R C 2.632 178.860 176.300 -0.119 0.000 1.103 442 R CA 1.312 57.327 56.100 -0.142 0.000 0.983 442 R CB -0.450 29.773 30.300 -0.129 0.000 0.874 442 R HN 0.516 nan 8.270 nan 0.000 0.451 443 M N 0.561 120.094 119.600 -0.112 0.000 2.123 443 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 443 M C 1.834 178.070 176.300 -0.106 0.000 1.069 443 M CA 1.588 56.856 55.300 -0.054 0.000 1.133 443 M CB 0.123 32.731 32.600 0.013 0.000 1.356 443 M HN -0.048 nan 8.290 nan 0.000 0.415 444 V N 1.286 121.025 119.914 -0.292 0.000 2.295 444 V HA -0.287 3.832 4.120 -0.000 0.000 0.246 444 V C 2.381 178.406 176.094 -0.116 0.000 1.049 444 V CA 2.004 64.021 62.300 -0.472 0.000 1.024 444 V CB -1.056 30.482 31.823 -0.476 0.000 0.648 444 V HN 0.578 nan 8.190 nan 0.000 0.447 445 Q N -0.586 119.183 119.800 -0.051 0.000 2.226 445 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 445 Q C 2.413 178.376 176.000 -0.062 0.000 0.975 445 Q CA 1.406 57.204 55.803 -0.007 0.000 0.866 445 Q CB -0.167 28.576 28.738 0.009 0.000 0.915 445 Q HN 0.573 nan 8.270 nan 0.000 0.440 446 R N 0.556 121.000 120.500 -0.094 0.000 2.057 446 R HA -0.084 4.256 4.340 -0.000 0.000 0.224 446 R C 0.849 177.098 176.300 -0.086 0.000 1.136 446 R CA 1.333 57.347 56.100 -0.143 0.000 0.968 446 R CB 0.332 30.534 30.300 -0.163 0.000 0.863 446 R HN 0.137 nan 8.270 nan 0.000 0.433 447 D N 0.357 120.767 120.400 0.018 0.000 2.350 447 D HA -0.043 4.597 4.640 -0.000 0.000 0.213 447 D C 1.532 177.987 176.300 0.258 0.000 1.031 447 D CA 0.230 54.293 54.000 0.105 0.000 0.861 447 D CB 0.019 40.794 40.800 -0.040 0.000 0.926 447 D HN 0.388 nan 8.370 nan 0.000 0.520 448 R N 0.964 121.659 120.500 0.326 0.000 2.276 448 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 448 R C 0.971 177.339 176.300 0.114 0.000 1.161 448 R CA 1.049 57.361 56.100 0.354 0.000 1.007 448 R CB -0.362 30.078 30.300 0.234 0.000 0.867 448 R HN -0.022 nan 8.270 nan 0.000 0.472 449 N N 0.082 118.771 118.700 -0.018 0.000 2.373 449 N HA -0.013 4.727 4.740 -0.000 0.000 0.181 449 N C -0.321 175.103 175.510 -0.144 0.000 1.082 449 N CA 0.310 53.297 53.050 -0.106 0.000 0.885 449 N CB 0.030 38.404 38.487 -0.189 0.000 0.977 449 N HN 0.303 nan 8.380 nan 0.000 0.462 450 H N 1.737 120.769 119.070 -0.064 0.000 2.899 450 H HA 0.048 4.604 4.556 -0.000 0.000 0.303 450 H C -1.157 174.044 175.328 -0.211 0.000 1.042 450 H CA -0.844 55.147 56.048 -0.094 0.000 1.479 450 H CB 1.314 31.067 29.762 -0.013 0.000 1.493 450 H HN 0.137 nan 8.280 nan 0.000 0.534 451 P HA -0.136 nan 4.420 nan 0.000 0.221 451 P C 1.378 178.208 177.300 -0.784 0.000 1.150 451 P CA 1.002 63.761 63.100 -0.569 0.000 0.800 451 P CB 0.306 31.484 31.700 -0.871 0.000 0.787 452 S N -0.719 114.623 115.700 -0.596 0.000 2.442 452 S HA -0.032 4.438 4.470 -0.000 0.000 0.236 452 S C 1.112 175.700 174.600 -0.020 0.000 1.007 452 S CA 0.282 58.327 58.200 -0.258 0.000 0.965 452 S CB -1.415 61.783 63.200 -0.004 0.000 0.773 452 S HN -0.060 nan 8.310 nan 0.000 0.504 453 V N 3.748 123.618 119.914 -0.073 0.000 2.415 453 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 453 V C 1.116 177.092 176.094 -0.198 0.000 1.042 453 V CA -0.066 62.160 62.300 -0.125 0.000 1.000 453 V CB 0.385 32.058 31.823 -0.250 0.000 1.015 453 V HN 0.637 nan 8.190 nan 0.000 0.478 454 I N 2.871 123.382 120.570 -0.098 0.000 4.187 454 I HA 0.488 4.657 4.170 -0.000 0.000 0.326 454 I C 0.385 176.413 176.117 -0.147 0.000 1.302 454 I CA 0.529 61.784 61.300 -0.075 0.000 1.196 454 I CB 0.508 38.549 38.000 0.069 0.000 1.095 454 I HN 0.311 nan 8.210 nan 0.000 0.411 455 I N 0.067 120.523 120.570 -0.191 0.000 2.722 455 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 455 I C -1.639 174.383 176.117 -0.159 0.000 1.161 455 I CA -0.471 60.751 61.300 -0.131 0.000 1.032 455 I CB 2.222 40.230 38.000 0.014 0.000 1.244 455 I HN 0.015 nan 8.210 nan 0.000 0.421 456 W N 3.664 125.017 121.300 0.088 0.000 2.520 456 W HA 0.597 5.257 4.660 -0.000 0.000 0.323 456 W C 0.311 176.891 176.519 0.102 0.000 1.062 456 W CA -0.679 56.723 57.345 0.095 0.000 1.215 456 W CB 1.824 31.336 29.460 0.086 0.000 1.340 456 W HN 0.302 nan 8.180 nan 0.000 0.516 457 S N 3.091 119.013 115.700 0.371 0.000 2.482 457 S HA 0.418 4.888 4.470 -0.000 0.000 0.303 457 S C 0.270 175.022 174.600 0.253 0.000 1.091 457 S CA -0.689 57.673 58.200 0.270 0.000 1.057 457 S CB 0.800 64.117 63.200 0.194 0.000 1.031 457 S HN 0.584 nan 8.310 nan 0.000 0.485 458 L N 4.261 125.616 121.223 0.220 0.000 2.627 458 L HA 0.351 4.691 4.340 -0.000 0.000 0.233 458 L C 1.351 178.270 176.870 0.083 0.000 1.144 458 L CA 0.421 55.316 54.840 0.091 0.000 0.892 458 L CB -1.133 40.880 42.059 -0.077 0.000 1.039 458 L HN 1.000 nan 8.230 nan 0.000 0.442 459 G N -0.015 108.914 108.800 0.215 0.000 2.306 459 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.262 459 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.262 459 G C -1.588 173.495 174.900 0.304 0.000 1.263 459 G CA -0.564 44.677 45.100 0.235 0.000 1.088 459 G HN 0.179 nan 8.290 nan 0.000 0.489 460 N N 0.130 118.957 118.700 0.212 0.000 2.396 460 N HA 0.484 5.224 4.740 -0.000 0.000 0.275 460 N C -0.573 174.934 175.510 -0.004 0.000 1.218 460 N CA 0.019 53.076 53.050 0.012 0.000 0.812 460 N CB 1.622 39.837 38.487 -0.454 0.000 1.592 460 N HN 0.868 nan 8.380 nan 0.000 0.480 461 E N 0.497 120.629 120.200 -0.113 0.000 2.012 461 E HA -0.179 4.170 4.350 -0.000 0.000 0.171 461 E C -0.906 175.701 176.600 0.011 0.000 1.512 461 E CA 0.762 57.097 56.400 -0.108 0.000 0.577 461 E CB -1.100 28.480 29.700 -0.201 0.000 1.034 461 E HN 0.398 nan 8.360 nan 0.000 0.293 462 S N 0.616 116.412 115.700 0.160 0.000 2.949 462 S HA 0.363 4.833 4.470 -0.000 0.000 0.246 462 S C 0.551 175.349 174.600 0.330 0.000 0.899 462 S CA -0.256 58.089 58.200 0.242 0.000 1.091 462 S CB 1.266 64.673 63.200 0.346 0.000 1.199 462 S HN 0.882 nan 8.310 nan 0.000 0.507 463 G N 1.994 110.904 108.800 0.184 0.000 2.581 463 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.289 463 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.289 463 G C -0.396 174.726 174.900 0.371 0.000 1.303 463 G CA 0.249 45.459 45.100 0.184 0.000 0.931 463 G HN 0.712 nan 8.290 nan 0.000 0.555 464 H N 0.380 119.580 119.070 0.216 0.000 2.953 464 H HA 0.539 5.095 4.556 -0.000 0.000 0.290 464 H C 0.530 176.016 175.328 0.263 0.000 1.113 464 H CA -0.158 56.066 56.048 0.294 0.000 1.454 464 H CB 0.050 29.914 29.762 0.171 0.000 1.525 464 H HN 0.906 nan 8.280 nan 0.000 0.505 465 G N 1.292 110.272 108.800 0.300 0.000 2.521 465 G HA2 0.431 4.391 3.960 -0.000 0.000 0.323 465 G HA3 0.431 4.391 3.960 -0.000 0.000 0.323 465 G C 0.814 175.670 174.900 -0.072 0.000 1.211 465 G CA -0.096 44.994 45.100 -0.017 0.000 0.979 465 G HN 0.653 nan 8.290 nan 0.000 0.490 466 A N 0.345 123.111 122.820 -0.089 0.000 1.908 466 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 466 A C 2.248 179.835 177.584 0.005 0.000 1.181 466 A CA 2.039 54.051 52.037 -0.040 0.000 0.627 466 A CB -0.610 18.372 19.000 -0.029 0.000 0.818 466 A HN 0.562 nan 8.150 nan 0.000 0.445 467 N N -0.240 118.429 118.700 -0.051 0.000 2.132 467 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 467 N C 1.414 176.889 175.510 -0.059 0.000 1.015 467 N CA 1.945 54.945 53.050 -0.083 0.000 0.864 467 N CB -0.765 37.624 38.487 -0.163 0.000 1.006 467 N HN 0.806 nan 8.380 nan 0.000 0.430 468 H N 0.187 119.274 119.070 0.029 0.000 2.353 468 H HA -0.031 4.525 4.556 -0.000 0.000 0.300 468 H C 1.347 176.755 175.328 0.133 0.000 1.090 468 H CA 1.287 57.350 56.048 0.025 0.000 1.327 468 H CB 0.146 29.942 29.762 0.057 0.000 1.383 468 H HN 0.240 nan 8.280 nan 0.000 0.508 469 D N 0.301 120.884 120.400 0.304 0.000 2.117 469 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 469 D C 2.304 178.758 176.300 0.257 0.000 0.982 469 D CA 1.089 55.251 54.000 0.270 0.000 0.828 469 D CB -0.258 40.669 40.800 0.211 0.000 0.967 469 D HN 0.420 nan 8.370 nan 0.000 0.464 470 A N 1.178 124.100 122.820 0.169 0.000 1.877 470 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 470 A C 2.422 180.109 177.584 0.171 0.000 1.186 470 A CA 0.957 53.079 52.037 0.143 0.000 0.620 470 A CB -0.839 18.205 19.000 0.072 0.000 0.822 470 A HN 0.180 nan 8.150 nan 0.000 0.443 471 L N -1.945 119.355 121.223 0.129 0.000 2.141 471 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 471 L C 2.565 179.558 176.870 0.204 0.000 1.094 471 L CA 1.533 56.436 54.840 0.106 0.000 0.763 471 L CB -0.680 41.377 42.059 -0.003 0.000 0.908 471 L HN 0.637 nan 8.230 nan 0.000 0.437 472 Y N 1.401 121.778 120.300 0.128 0.000 2.070 472 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 472 Y C 2.848 178.834 175.900 0.143 0.000 1.148 472 Y CA 1.869 60.049 58.100 0.134 0.000 1.125 472 Y CB -0.202 38.334 38.460 0.127 0.000 0.975 472 Y HN -0.038 nan 8.280 nan 0.000 0.492 473 R N -0.039 120.580 120.500 0.197 0.000 2.127 473 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 473 R C 2.022 178.340 176.300 0.030 0.000 1.134 473 R CA 1.913 58.062 56.100 0.082 0.000 0.975 473 R CB -1.416 29.009 30.300 0.209 0.000 0.865 473 R HN 0.688 nan 8.270 nan 0.000 0.447 474 W N 0.396 121.648 121.300 -0.080 0.000 2.354 474 W HA -0.118 4.541 4.660 -0.000 0.000 0.315 474 W C 1.671 178.092 176.519 -0.162 0.000 1.206 474 W CA 1.960 59.244 57.345 -0.101 0.000 1.290 474 W CB -0.306 29.100 29.460 -0.090 0.000 1.152 474 W HN 0.061 nan 8.180 nan 0.000 0.489 475 I N 1.062 121.702 120.570 0.117 0.000 2.208 475 I HA -0.381 3.789 4.170 -0.000 0.000 0.245 475 I C 2.412 178.351 176.117 -0.295 0.000 1.097 475 I CA 1.433 62.639 61.300 -0.158 0.000 1.363 475 I CB -0.736 37.212 38.000 -0.088 0.000 1.051 475 I HN -0.057 nan 8.210 nan 0.000 0.413 476 K N 0.525 120.753 120.400 -0.286 0.000 2.103 476 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 476 K C 2.256 178.722 176.600 -0.223 0.000 1.048 476 K CA 1.294 57.432 56.287 -0.248 0.000 0.930 476 K CB -0.456 31.867 32.500 -0.295 0.000 0.716 476 K HN 0.256 nan 8.250 nan 0.000 0.444 477 S N 0.702 116.232 115.700 -0.283 0.000 2.377 477 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 477 S C 2.208 176.576 174.600 -0.387 0.000 1.030 477 S CA 0.802 58.830 58.200 -0.287 0.000 0.970 477 S CB -0.062 62.966 63.200 -0.287 0.000 0.830 477 S HN 0.002 nan 8.310 nan 0.000 0.473 478 V N 1.266 120.799 119.914 -0.635 0.000 2.379 478 V HA -0.037 4.082 4.120 -0.000 0.000 0.245 478 V C 0.641 176.467 176.094 -0.447 0.000 1.044 478 V CA 1.407 63.285 62.300 -0.704 0.000 1.036 478 V CB -0.345 30.710 31.823 -1.280 0.000 0.664 478 V HN 0.435 nan 8.190 nan 0.000 0.453 479 D N -1.397 118.805 120.400 -0.329 0.000 2.330 479 D HA 0.294 4.934 4.640 -0.000 0.000 0.249 479 D C -2.242 174.035 176.300 -0.038 0.000 1.306 479 D CA -1.622 52.298 54.000 -0.133 0.000 0.956 479 D CB 1.826 42.630 40.800 0.007 0.000 1.261 479 D HN 0.027 nan 8.370 nan 0.000 0.544 480 P HA -0.066 nan 4.420 nan 0.000 0.226 480 P C 1.337 178.653 177.300 0.025 0.000 1.153 480 P CA 0.590 63.677 63.100 -0.020 0.000 0.777 480 P CB 0.253 31.932 31.700 -0.035 0.000 0.794 481 S N -1.050 114.672 115.700 0.037 0.000 2.442 481 S HA -0.053 4.417 4.470 -0.000 0.000 0.236 481 S C 0.936 175.571 174.600 0.058 0.000 1.007 481 S CA 0.479 58.711 58.200 0.053 0.000 0.965 481 S CB -0.474 62.752 63.200 0.042 0.000 0.773 481 S HN 0.067 nan 8.310 nan 0.000 0.504 482 R N 1.203 121.755 120.500 0.086 0.000 2.670 482 R HA 0.562 4.902 4.340 -0.000 0.000 0.289 482 R C -3.188 173.179 176.300 0.111 0.000 0.965 482 R CA -2.386 53.743 56.100 0.048 0.000 0.899 482 R CB 1.395 31.621 30.300 -0.124 0.000 1.173 482 R HN 0.173 nan 8.270 nan 0.000 0.456 483 P HA 0.134 nan 4.420 nan 0.000 0.274 483 P C -0.797 176.606 177.300 0.172 0.000 1.231 483 P CA -0.420 62.746 63.100 0.110 0.000 0.790 483 P CB 0.812 32.560 31.700 0.081 0.000 0.951 484 V N 2.743 122.780 119.914 0.206 0.000 2.581 484 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 484 V C 0.116 176.384 176.094 0.290 0.000 1.041 484 V CA -0.270 62.193 62.300 0.273 0.000 0.907 484 V CB 1.335 33.282 31.823 0.206 0.000 0.994 484 V HN 0.639 nan 8.190 nan 0.000 0.442 485 Q N 3.203 123.159 119.800 0.260 0.000 2.456 485 Q HA 0.783 5.123 4.340 -0.000 0.000 0.284 485 Q C -1.927 174.225 176.000 0.253 0.000 1.061 485 Q CA -0.940 54.983 55.803 0.200 0.000 0.799 485 Q CB 2.844 31.647 28.738 0.108 0.000 1.445 485 Q HN 0.633 nan 8.270 nan 0.000 0.411 486 Y N 0.429 120.725 120.300 -0.005 0.000 2.357 486 Y HA 0.171 4.721 4.550 -0.000 0.000 0.319 486 Y C -0.592 175.240 175.900 -0.114 0.000 1.225 486 Y CA -0.798 57.264 58.100 -0.064 0.000 1.095 486 Y CB 2.111 40.507 38.460 -0.106 0.000 1.302 486 Y HN 0.960 nan 8.280 nan 0.000 0.429 487 E N 3.384 123.172 120.200 -0.687 0.000 2.385 487 E HA 0.137 4.487 4.350 -0.000 0.000 0.194 487 E C 0.617 176.782 176.600 -0.725 0.000 1.013 487 E CA 0.673 56.743 56.400 -0.548 0.000 0.866 487 E CB 0.240 29.746 29.700 -0.325 0.000 0.832 487 E HN 0.882 nan 8.360 nan 0.000 0.500 488 G N -0.159 107.726 108.800 -1.525 0.000 2.559 488 G HA2 0.235 4.195 3.960 -0.000 0.000 0.235 488 G HA3 0.235 4.195 3.960 -0.000 0.000 0.235 488 G C 0.844 175.533 174.900 -0.350 0.000 1.266 488 G CA 0.259 44.827 45.100 -0.886 0.000 0.847 488 G HN 0.331 nan 8.290 nan 0.000 0.583 489 G N -0.657 108.093 108.800 -0.083 0.000 2.155 489 G HA2 0.212 4.172 3.960 -0.000 0.000 0.257 489 G HA3 0.212 4.172 3.960 -0.000 0.000 0.257 489 G C 1.284 176.201 174.900 0.029 0.000 0.983 489 G CA 1.081 46.210 45.100 0.047 0.000 0.676 489 G HN 2.631 nan 8.290 nan 0.000 0.528 490 G N -1.557 107.243 108.800 -0.001 0.000 2.183 490 G HA2 0.440 4.400 3.960 -0.000 0.000 0.168 490 G HA3 0.440 4.400 3.960 -0.000 0.000 0.168 490 G C 1.050 176.062 174.900 0.188 0.000 1.008 490 G CA 1.204 46.370 45.100 0.111 0.000 0.677 490 G HN 2.316 nan 8.290 nan 0.000 0.498 491 A N -0.300 122.514 122.820 -0.010 0.000 3.721 491 A HA -0.188 4.132 4.320 -0.000 0.000 0.270 491 A C 1.217 178.744 177.584 -0.095 0.000 1.036 491 A CA 2.821 54.799 52.037 -0.098 0.000 1.102 491 A CB -1.733 17.188 19.000 -0.131 0.000 1.100 491 A HN 2.083 nan 8.150 nan 0.000 0.887 492 D N -0.950 119.480 120.400 0.051 0.000 2.620 492 D HA 0.326 4.966 4.640 -0.000 0.000 0.260 492 D C 0.551 176.864 176.300 0.021 0.000 1.367 492 D CA 0.813 54.846 54.000 0.055 0.000 0.805 492 D CB -1.069 39.892 40.800 0.269 0.000 1.096 492 D HN 0.823 nan 8.370 nan 0.000 0.488 493 T N -2.182 112.328 114.554 -0.072 0.000 2.640 493 T HA 0.098 4.448 4.350 -0.000 0.000 0.316 493 T C 1.574 176.171 174.700 -0.172 0.000 1.036 493 T CA 0.499 62.505 62.100 -0.158 0.000 1.009 493 T CB 0.749 69.302 68.868 -0.524 0.000 1.017 493 T HN 0.145 nan 8.240 nan 0.000 0.530 494 T N -2.664 111.803 114.554 -0.144 0.000 3.160 494 T HA 0.273 4.623 4.350 -0.000 0.000 0.257 494 T C 1.425 175.883 174.700 -0.403 0.000 1.147 494 T CA 0.161 62.164 62.100 -0.160 0.000 1.064 494 T CB -0.458 68.397 68.868 -0.020 0.000 0.949 494 T HN 0.848 nan 8.240 nan 0.000 0.526 495 A N 0.419 122.995 122.820 -0.406 0.000 2.460 495 A HA 0.525 4.845 4.320 -0.000 0.000 0.258 495 A C 0.803 178.230 177.584 -0.263 0.000 1.300 495 A CA -0.288 51.488 52.037 -0.436 0.000 0.913 495 A CB 0.145 19.076 19.000 -0.115 0.000 1.031 495 A HN 0.446 nan 8.150 nan 0.000 0.512 496 T N -1.461 112.947 114.554 -0.244 0.000 2.952 496 T HA 0.341 4.691 4.350 -0.000 0.000 0.305 496 T C -0.707 174.017 174.700 0.040 0.000 1.064 496 T CA -0.454 61.653 62.100 0.013 0.000 1.008 496 T CB 1.251 70.116 68.868 -0.004 0.000 1.078 496 T HN 0.101 nan 8.240 nan 0.000 0.459 497 D N 2.953 123.453 120.400 0.167 0.000 2.348 497 D HA 0.240 4.880 4.640 -0.000 0.000 0.211 497 D C 0.428 176.761 176.300 0.054 0.000 0.998 497 D CA 0.655 54.736 54.000 0.136 0.000 0.873 497 D CB 0.583 41.494 40.800 0.185 0.000 0.925 497 D HN 0.538 nan 8.370 nan 0.000 0.524 498 I N 0.968 121.552 120.570 0.023 0.000 2.545 498 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 498 I C -0.161 175.894 176.117 -0.102 0.000 1.040 498 I CA -0.892 60.387 61.300 -0.034 0.000 1.068 498 I CB 2.932 40.920 38.000 -0.020 0.000 1.251 498 I HN -0.362 nan 8.210 nan 0.000 0.424 499 I N 5.525 125.989 120.570 -0.177 0.000 2.406 499 I HA 0.068 4.238 4.170 -0.000 0.000 0.293 499 I C 0.154 176.066 176.117 -0.341 0.000 1.101 499 I CA -0.095 61.006 61.300 -0.332 0.000 1.334 499 I CB 0.127 37.825 38.000 -0.502 0.000 1.421 499 I HN 0.662 nan 8.210 nan 0.000 0.513 500 C N 6.151 125.277 119.300 -0.290 0.000 3.075 500 C HA 0.487 4.947 4.460 -0.000 0.000 0.262 500 C C -1.810 173.044 174.990 -0.227 0.000 1.371 500 C CA -2.328 56.561 59.018 -0.216 0.000 1.594 500 C CB -0.999 26.668 27.740 -0.122 0.000 1.849 500 C HN 0.430 nan 8.230 nan 0.000 0.475 501 P HA 0.329 nan 4.420 nan 0.000 0.274 501 P C -0.599 176.653 177.300 -0.080 0.000 1.260 501 P CA 0.157 63.159 63.100 -0.164 0.000 0.793 501 P CB 0.823 32.424 31.700 -0.165 0.000 1.048 502 M N -0.987 118.607 119.600 -0.010 0.000 2.106 502 M HA 0.440 4.919 4.480 -0.000 0.000 0.288 502 M C -1.251 175.059 176.300 0.017 0.000 0.941 502 M CA -0.674 54.533 55.300 -0.155 0.000 0.934 502 M CB 1.484 34.007 32.600 -0.129 0.000 1.551 502 M HN 0.257 nan 8.290 nan 0.000 0.437 503 Y N -0.269 120.192 120.300 0.269 0.000 4.644 503 Y HA -0.175 4.375 4.550 -0.000 0.000 0.241 503 Y C 0.436 176.499 175.900 0.273 0.000 1.077 503 Y CA 0.547 58.808 58.100 0.269 0.000 2.080 503 Y CB -2.265 36.336 38.460 0.235 0.000 1.613 503 Y HN 1.000 nan 8.280 nan 0.000 0.686 504 A N 1.330 124.362 122.820 0.353 0.000 2.454 504 A HA 0.564 4.884 4.320 -0.000 0.000 0.260 504 A C 0.789 178.574 177.584 0.335 0.000 1.106 504 A CA -0.472 51.772 52.037 0.346 0.000 0.780 504 A CB 0.316 19.566 19.000 0.417 0.000 1.044 504 A HN 0.365 nan 8.150 nan 0.000 0.498 505 R N 1.747 122.377 120.500 0.217 0.000 2.707 505 R HA 0.239 4.579 4.340 -0.000 0.000 0.270 505 R C 1.057 177.306 176.300 -0.084 0.000 1.083 505 R CA -0.561 55.588 56.100 0.082 0.000 1.182 505 R CB 0.403 30.723 30.300 0.033 0.000 1.084 505 R HN 0.500 nan 8.270 nan 0.000 0.528 506 V N 0.793 120.490 119.914 -0.362 0.000 2.307 506 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 506 V C 1.002 176.968 176.094 -0.213 0.000 1.045 506 V CA 1.929 63.986 62.300 -0.404 0.000 1.024 506 V CB -0.292 31.174 31.823 -0.594 0.000 0.651 506 V HN 0.773 nan 8.190 nan 0.000 0.449 507 D N -1.509 118.803 120.400 -0.147 0.000 2.473 507 D HA 0.096 4.736 4.640 -0.000 0.000 0.230 507 D C 0.895 177.175 176.300 -0.034 0.000 1.097 507 D CA 0.007 53.958 54.000 -0.081 0.000 0.861 507 D CB 0.764 41.522 40.800 -0.070 0.000 1.114 507 D HN 0.524 nan 8.370 nan 0.000 0.500 508 E N 1.928 122.109 120.200 -0.032 0.000 2.227 508 E HA 0.147 4.497 4.350 -0.000 0.000 0.282 508 E C -0.931 175.660 176.600 -0.014 0.000 1.015 508 E CA -0.550 55.838 56.400 -0.019 0.000 0.823 508 E CB 1.015 30.702 29.700 -0.022 0.000 1.081 508 E HN -0.240 nan 8.360 nan 0.000 0.396 509 D N 3.468 123.860 120.400 -0.014 0.000 2.283 509 D HA 0.149 4.788 4.640 -0.000 0.000 0.248 509 D C -0.577 175.602 176.300 -0.202 0.000 1.072 509 D CA 0.068 54.046 54.000 -0.037 0.000 0.929 509 D CB 1.229 42.087 40.800 0.097 0.000 1.182 509 D HN 0.397 nan 8.370 nan 0.000 0.433 510 Q N 1.455 121.017 119.800 -0.396 0.000 3.122 510 Q HA 0.217 4.557 4.340 -0.000 0.000 0.282 510 Q C -2.173 173.246 176.000 -0.968 0.000 0.947 510 Q CA -1.490 53.888 55.803 -0.708 0.000 0.812 510 Q CB 1.940 30.256 28.738 -0.704 0.000 1.333 510 Q HN 0.228 nan 8.270 nan 0.000 0.430 511 P HA -0.093 nan 4.420 nan 0.000 0.251 511 P C -0.624 176.415 177.300 -0.435 0.000 1.624 511 P CA 0.220 62.948 63.100 -0.621 0.000 0.907 511 P CB -0.601 30.918 31.700 -0.301 0.000 1.867 512 F N 2.940 122.709 119.950 -0.302 0.000 2.553 512 F HA 0.164 4.691 4.527 -0.000 0.000 0.356 512 F C -1.004 174.688 175.800 -0.181 0.000 1.142 512 F CA -2.387 55.496 58.000 -0.195 0.000 1.322 512 F CB -0.802 38.098 39.000 -0.166 0.000 1.126 512 F HN 0.116 nan 8.300 nan 0.000 0.599 513 P HA 0.220 nan 4.420 nan 0.000 0.275 513 P C 0.155 177.467 177.300 0.020 0.000 1.227 513 P CA 0.879 63.996 63.100 0.027 0.000 0.781 513 P CB 1.513 33.227 31.700 0.023 0.000 0.906 514 A N 3.083 125.913 122.820 0.015 0.000 1.693 514 A HA -0.250 4.070 4.320 -0.000 0.000 0.227 514 A C 0.753 178.350 177.584 0.023 0.000 0.457 514 A CA 1.949 54.000 52.037 0.023 0.000 1.106 514 A CB -2.763 16.246 19.000 0.015 0.000 1.453 514 A HN 0.694 nan 8.150 nan 0.000 0.714 515 V N -2.531 117.386 119.914 0.006 0.000 2.361 515 V HA 0.591 4.710 4.120 -0.000 0.000 0.252 515 V C -2.060 174.027 176.094 -0.012 0.000 0.986 515 V CA -1.149 61.154 62.300 0.006 0.000 1.033 515 V CB 0.601 32.425 31.823 0.002 0.000 1.282 515 V HN 0.601 nan 8.190 nan 0.000 0.514 516 P HA 0.327 nan 4.420 nan 0.000 0.274 516 P C -0.744 176.203 177.300 -0.588 0.000 1.246 516 P CA -0.149 62.648 63.100 -0.505 0.000 0.795 516 P CB 1.241 32.253 31.700 -1.146 0.000 1.006 517 K N 1.531 121.601 120.400 -0.551 0.000 2.473 517 K HA 0.228 4.548 4.320 -0.000 0.000 0.246 517 K C -0.572 175.764 176.600 -0.439 0.000 1.011 517 K CA -0.273 55.865 56.287 -0.249 0.000 0.984 517 K CB 0.528 33.117 32.500 0.147 0.000 1.250 517 K HN 0.462 nan 8.250 nan 0.000 0.454 518 W N 1.321 122.335 121.300 -0.477 0.000 2.161 518 W HA 0.082 4.742 4.660 -0.000 0.000 0.344 518 W C 1.274 177.810 176.519 0.029 0.000 1.262 518 W CA -0.525 56.613 57.345 -0.345 0.000 1.270 518 W CB 0.549 29.592 29.460 -0.695 0.000 1.126 518 W HN 0.375 nan 8.180 nan 0.000 0.598 519 S N 3.278 119.138 115.700 0.267 0.000 2.546 519 S HA -0.063 4.407 4.470 -0.000 0.000 0.290 519 S C 1.234 175.983 174.600 0.248 0.000 1.290 519 S CA -0.266 58.032 58.200 0.164 0.000 1.069 519 S CB 0.046 63.286 63.200 0.067 0.000 0.846 519 S HN 0.515 nan 8.310 nan 0.000 0.495 520 I N 2.336 123.025 120.570 0.198 0.000 2.315 520 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 520 I C 1.970 178.137 176.117 0.082 0.000 1.125 520 I CA 1.454 62.873 61.300 0.197 0.000 1.392 520 I CB -0.441 37.605 38.000 0.077 0.000 1.065 520 I HN 0.588 nan 8.210 nan 0.000 0.424 521 K N 1.454 121.808 120.400 -0.077 0.000 2.103 521 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 521 K C 2.272 178.890 176.600 0.030 0.000 1.052 521 K CA 1.461 57.633 56.287 -0.193 0.000 0.945 521 K CB -0.172 32.087 32.500 -0.402 0.000 0.722 521 K HN 0.395 nan 8.250 nan 0.000 0.443 522 K N 0.116 120.553 120.400 0.061 0.000 2.167 522 K HA -0.149 4.171 4.320 -0.000 0.000 0.203 522 K C 1.795 178.434 176.600 0.066 0.000 1.052 522 K CA 0.693 57.001 56.287 0.035 0.000 0.956 522 K CB -0.025 32.464 32.500 -0.018 0.000 0.735 522 K HN 0.195 nan 8.250 nan 0.000 0.451 523 W N 2.083 123.380 121.300 -0.004 0.000 2.335 523 W HA -0.179 4.481 4.660 -0.000 0.000 0.311 523 W C 1.613 178.124 176.519 -0.014 0.000 1.213 523 W CA 1.164 58.515 57.345 0.010 0.000 1.274 523 W CB -0.619 28.914 29.460 0.122 0.000 1.148 523 W HN 0.082 nan 8.180 nan 0.000 0.498 524 L N 0.814 122.206 121.223 0.281 0.000 2.079 524 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 524 L C 2.329 179.271 176.870 0.121 0.000 1.081 524 L CA 2.005 56.941 54.840 0.161 0.000 0.752 524 L CB -1.077 41.064 42.059 0.136 0.000 0.896 524 L HN -0.014 nan 8.230 nan 0.000 0.433 525 S N -1.295 114.462 115.700 0.096 0.000 2.577 525 S HA 0.204 4.674 4.470 -0.000 0.000 0.219 525 S C 0.617 175.212 174.600 -0.009 0.000 0.962 525 S CA -0.499 57.726 58.200 0.041 0.000 0.921 525 S CB -0.467 62.754 63.200 0.035 0.000 0.789 525 S HN 0.172 nan 8.310 nan 0.000 0.497 526 L N 2.330 123.540 121.223 -0.021 0.000 2.525 526 L HA 0.199 4.538 4.340 -0.000 0.000 0.278 526 L C -2.189 174.650 176.870 -0.052 0.000 1.218 526 L CA -1.648 53.128 54.840 -0.107 0.000 0.878 526 L CB -0.187 41.779 42.059 -0.155 0.000 1.127 526 L HN 0.049 nan 8.230 nan 0.000 0.492 527 P HA -0.078 nan 4.420 nan 0.000 0.259 527 P C 0.770 178.063 177.300 -0.012 0.000 1.163 527 P CA 1.335 64.411 63.100 -0.040 0.000 0.760 527 P CB 0.485 32.154 31.700 -0.052 0.000 0.762 528 G N 2.071 110.872 108.800 0.001 0.000 2.363 528 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.238 528 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.238 528 G C 0.399 175.316 174.900 0.029 0.000 1.062 528 G CA 0.207 45.316 45.100 0.015 0.000 0.629 528 G HN 0.632 nan 8.290 nan 0.000 0.514 529 E N 1.416 121.641 120.200 0.041 0.000 2.413 529 E HA 0.486 4.836 4.350 -0.000 0.000 0.263 529 E C 1.431 178.060 176.600 0.047 0.000 1.015 529 E CA 1.263 57.701 56.400 0.064 0.000 0.916 529 E CB 0.660 30.427 29.700 0.113 0.000 0.947 529 E HN 0.766 nan 8.360 nan 0.000 0.440 530 T N 0.368 114.946 114.554 0.040 0.000 3.191 530 T HA 0.284 4.634 4.350 -0.000 0.000 0.285 530 T C 0.600 175.311 174.700 0.019 0.000 0.887 530 T CA -0.486 61.631 62.100 0.029 0.000 0.881 530 T CB 0.014 68.897 68.868 0.025 0.000 1.217 530 T HN 0.276 nan 8.240 nan 0.000 0.591 531 R N 2.503 123.010 120.500 0.013 0.000 2.801 531 R HA 0.410 4.750 4.340 -0.000 0.000 0.273 531 R C -2.437 173.847 176.300 -0.027 0.000 1.080 531 R CA -1.448 54.648 56.100 -0.006 0.000 1.197 531 R CB 0.034 30.323 30.300 -0.018 0.000 1.109 531 R HN 0.276 nan 8.270 nan 0.000 0.535 532 P HA 0.133 nan 4.420 nan 0.000 0.284 532 P C -1.193 176.042 177.300 -0.108 0.000 1.258 532 P CA -0.201 62.862 63.100 -0.062 0.000 0.824 532 P CB 0.933 32.599 31.700 -0.056 0.000 1.038 533 L N 3.816 124.958 121.223 -0.135 0.000 2.319 533 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 533 L C -0.845 175.892 176.870 -0.221 0.000 1.005 533 L CA -0.760 53.961 54.840 -0.198 0.000 0.828 533 L CB 0.458 42.393 42.059 -0.207 0.000 1.227 533 L HN 0.265 nan 8.230 nan 0.000 0.415 534 I N 5.804 126.246 120.570 -0.213 0.000 2.468 534 I HA 0.240 4.409 4.170 -0.000 0.000 0.284 534 I C -0.686 175.343 176.117 -0.146 0.000 1.038 534 I CA -0.605 60.559 61.300 -0.226 0.000 1.083 534 I CB 1.901 39.825 38.000 -0.128 0.000 1.223 534 I HN 0.465 nan 8.210 nan 0.000 0.443 535 L N 5.500 126.609 121.223 -0.190 0.000 2.499 535 L HA -0.003 4.337 4.340 -0.000 0.000 0.273 535 L C 1.470 178.400 176.870 0.101 0.000 1.195 535 L CA -0.049 54.735 54.840 -0.093 0.000 0.882 535 L CB 0.476 42.445 42.059 -0.151 0.000 1.133 535 L HN 0.851 nan 8.230 nan 0.000 0.483 536 C N -0.011 119.326 119.300 0.062 0.000 2.539 536 C HA 0.236 4.696 4.460 -0.000 0.000 0.268 536 C C 0.557 175.656 174.990 0.182 0.000 1.395 536 C CA -0.331 58.745 59.018 0.097 0.000 1.757 536 C CB -1.206 26.516 27.740 -0.030 0.000 1.851 536 C HN 0.839 nan 8.230 nan 0.000 0.545 537 E N -0.612 119.648 120.200 0.100 0.000 2.388 537 E HA 0.544 4.894 4.350 -0.000 0.000 0.289 537 E C -1.503 174.970 176.600 -0.212 0.000 0.944 537 E CA -0.345 56.079 56.400 0.039 0.000 0.792 537 E CB 1.953 31.547 29.700 -0.176 0.000 1.239 537 E HN 0.545 nan 8.360 nan 0.000 0.412 538 Y N -0.577 119.626 120.300 -0.162 0.000 2.641 538 Y HA 0.619 5.168 4.550 -0.000 0.000 0.333 538 Y C -0.779 175.226 175.900 0.176 0.000 1.174 538 Y CA -0.801 57.218 58.100 -0.134 0.000 1.057 538 Y CB 0.641 38.905 38.460 -0.326 0.000 1.322 538 Y HN 0.711 nan 8.280 nan 0.000 0.457 539 A N 2.017 124.850 122.820 0.022 0.000 2.546 539 A HA -0.231 4.089 4.320 -0.000 0.000 0.295 539 A C -0.298 177.408 177.584 0.204 0.000 1.455 539 A CA 0.893 52.958 52.037 0.048 0.000 0.730 539 A CB -2.615 16.298 19.000 -0.146 0.000 1.111 539 A HN 1.253 nan 8.150 nan 0.000 0.411 540 H N 0.491 119.724 119.070 0.271 0.000 3.226 540 H HA 0.221 4.777 4.556 -0.000 0.000 0.260 540 H C 1.160 176.553 175.328 0.108 0.000 0.967 540 H CA 0.931 57.150 56.048 0.285 0.000 1.435 540 H CB 0.415 30.234 29.762 0.094 0.000 1.533 540 H HN 0.857 nan 8.280 nan 0.000 0.525 541 A N 6.670 129.438 122.820 -0.087 0.000 2.840 541 A HA 0.057 4.377 4.320 -0.000 0.000 0.269 541 A C 0.897 178.340 177.584 -0.235 0.000 1.439 541 A CA -0.406 51.532 52.037 -0.166 0.000 1.083 541 A CB -0.628 18.245 19.000 -0.211 0.000 1.019 541 A HN 0.801 nan 8.150 nan 0.000 0.607 542 M N 1.508 120.981 119.600 -0.213 0.000 2.193 542 M HA 0.445 4.925 4.480 -0.000 0.000 0.342 542 M C 0.927 177.070 176.300 -0.261 0.000 1.413 542 M CA 1.259 56.428 55.300 -0.219 0.000 1.191 542 M CB -0.383 32.153 32.600 -0.106 0.000 1.633 542 M HN 0.839 nan 8.290 nan 0.000 0.458 543 G N 4.516 113.119 108.800 -0.327 0.000 2.531 543 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.274 543 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.274 543 G C -0.234 174.088 174.900 -0.964 0.000 1.159 543 G CA 0.195 44.889 45.100 -0.676 0.000 0.969 543 G HN 0.828 nan 8.290 nan 0.000 0.554 544 N N 1.306 119.388 118.700 -1.030 0.000 2.807 544 N HA 0.532 5.272 4.740 -0.000 0.000 0.259 544 N C 0.134 175.419 175.510 -0.376 0.000 1.149 544 N CA 1.039 53.694 53.050 -0.657 0.000 1.042 544 N CB 0.421 38.622 38.487 -0.476 0.000 1.367 544 N HN 0.771 nan 8.380 nan 0.000 0.516 545 S N 1.725 117.266 115.700 -0.264 0.000 3.255 545 S HA 0.566 5.036 4.470 -0.000 0.000 0.305 545 S C 0.019 174.553 174.600 -0.111 0.000 1.067 545 S CA -0.360 57.740 58.200 -0.166 0.000 0.966 545 S CB 0.040 63.165 63.200 -0.125 0.000 1.366 545 S HN 0.348 nan 8.310 nan 0.000 0.717 546 L N 0.163 121.352 121.223 -0.057 0.000 4.351 546 L HA -0.064 4.276 4.340 -0.000 0.000 0.410 546 L C 0.353 177.259 176.870 0.059 0.000 1.150 546 L CA 0.943 55.772 54.840 -0.019 0.000 0.961 546 L CB -1.713 40.245 42.059 -0.168 0.000 2.130 546 L HN 0.667 nan 8.230 nan 0.000 0.787 547 G N -1.061 107.748 108.800 0.014 0.000 2.403 547 G HA2 0.521 4.481 3.960 -0.000 0.000 0.259 547 G HA3 0.521 4.481 3.960 -0.000 0.000 0.259 547 G C 1.160 176.081 174.900 0.035 0.000 1.244 547 G CA 0.049 45.131 45.100 -0.030 0.000 0.849 547 G HN 1.364 nan 8.290 nan 0.000 0.532 548 G N 1.349 110.160 108.800 0.019 0.000 2.157 548 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 548 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 548 G C 0.962 176.020 174.900 0.263 0.000 0.979 548 G CA 0.737 45.889 45.100 0.086 0.000 0.650 548 G HN 0.802 nan 8.290 nan 0.000 0.529 549 F N 1.765 121.822 119.950 0.179 0.000 2.134 549 F HA 0.195 4.721 4.527 -0.000 0.000 0.299 549 F C 2.633 178.643 175.800 0.350 0.000 1.097 549 F CA 2.402 60.584 58.000 0.305 0.000 1.264 549 F CB -0.379 38.742 39.000 0.202 0.000 1.001 549 F HN 0.325 nan 8.300 nan 0.000 0.479 550 A N -0.086 122.918 122.820 0.307 0.000 1.978 550 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 550 A C 2.296 179.919 177.584 0.066 0.000 1.170 550 A CA 1.815 53.964 52.037 0.187 0.000 0.636 550 A CB -0.834 18.274 19.000 0.180 0.000 0.810 550 A HN 0.469 nan 8.150 nan 0.000 0.448 551 K N -1.728 118.686 120.400 0.024 0.000 2.097 551 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 551 K C 1.732 178.136 176.600 -0.327 0.000 1.049 551 K CA 1.587 57.806 56.287 -0.114 0.000 0.933 551 K CB -0.326 32.099 32.500 -0.126 0.000 0.717 551 K HN 0.515 nan 8.250 nan 0.000 0.442 552 Y N -0.617 119.415 120.300 -0.445 0.000 2.145 552 Y HA -0.233 4.316 4.550 -0.000 0.000 0.286 552 Y C 1.926 176.885 175.900 -1.569 0.000 1.145 552 Y CA 1.753 59.249 58.100 -1.008 0.000 1.148 552 Y CB -0.365 37.518 38.460 -0.962 0.000 0.981 552 Y HN 0.187 nan 8.280 nan 0.000 0.507 553 W N -0.276 120.624 121.300 -0.667 0.000 2.402 553 W HA -0.161 4.498 4.660 -0.000 0.000 0.286 553 W C 2.588 178.948 176.519 -0.265 0.000 1.221 553 W CA 1.242 58.322 57.345 -0.442 0.000 1.257 553 W CB -0.597 28.689 29.460 -0.290 0.000 1.120 553 W HN 0.012 nan 8.180 nan 0.000 0.551 554 Q N 0.978 120.718 119.800 -0.099 0.000 2.061 554 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 554 Q C 2.215 178.166 176.000 -0.083 0.000 0.984 554 Q CA 2.345 58.118 55.803 -0.050 0.000 0.846 554 Q CB -0.757 27.952 28.738 -0.049 0.000 0.902 554 Q HN 0.277 nan 8.270 nan 0.000 0.421 555 A N 0.015 122.691 122.820 -0.240 0.000 1.898 555 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 555 A C 1.886 179.422 177.584 -0.081 0.000 1.181 555 A CA 1.266 53.164 52.037 -0.233 0.000 0.620 555 A CB -0.814 17.912 19.000 -0.457 0.000 0.819 555 A HN 0.370 nan 8.150 nan 0.000 0.442 556 F N 0.275 120.066 119.950 -0.264 0.000 2.126 556 F HA -0.131 4.395 4.527 -0.000 0.000 0.299 556 F C 2.539 178.260 175.800 -0.131 0.000 1.096 556 F CA 1.275 59.094 58.000 -0.302 0.000 1.255 556 F CB -0.794 37.837 39.000 -0.614 0.000 0.997 556 F HN 0.188 nan 8.300 nan 0.000 0.479 557 R N -0.228 120.348 120.500 0.127 0.000 2.115 557 R HA -0.150 4.190 4.340 -0.000 0.000 0.226 557 R C 2.133 178.479 176.300 0.076 0.000 1.100 557 R CA 1.178 57.327 56.100 0.082 0.000 0.980 557 R CB -0.482 29.858 30.300 0.067 0.000 0.875 557 R HN 0.400 nan 8.270 nan 0.000 0.445 558 Q N -0.131 119.746 119.800 0.128 0.000 2.137 558 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 558 Q C -0.393 175.676 176.000 0.115 0.000 0.960 558 Q CA 0.932 56.816 55.803 0.134 0.000 0.847 558 Q CB 0.320 29.182 28.738 0.206 0.000 0.915 558 Q HN 0.179 nan 8.270 nan 0.000 0.448 559 Y N 0.568 120.856 120.300 -0.019 0.000 2.404 559 Y HA 0.262 4.812 4.550 -0.000 0.000 0.344 559 Y C -1.781 174.099 175.900 -0.033 0.000 0.970 559 Y CA -2.859 55.229 58.100 -0.021 0.000 1.180 559 Y CB 1.214 39.666 38.460 -0.013 0.000 1.138 559 Y HN 0.157 nan 8.280 nan 0.000 0.510 560 P HA -0.222 nan 4.420 nan 0.000 0.217 560 P C 1.077 178.379 177.300 0.003 0.000 1.158 560 P CA 2.030 65.130 63.100 0.000 0.000 0.887 560 P CB 0.287 31.971 31.700 -0.026 0.000 0.792 561 R N -1.347 119.173 120.500 0.034 0.000 2.313 561 R HA 0.143 4.483 4.340 -0.000 0.000 0.199 561 R C 0.417 176.707 176.300 -0.017 0.000 0.958 561 R CA 0.011 56.116 56.100 0.007 0.000 1.047 561 R CB -0.343 29.971 30.300 0.024 0.000 0.955 561 R HN 0.236 nan 8.270 nan 0.000 0.481 562 L N 1.862 123.095 121.223 0.016 0.000 2.315 562 L HA 0.157 4.497 4.340 -0.000 0.000 0.278 562 L C 0.441 177.186 176.870 -0.208 0.000 1.088 562 L CA 0.090 54.902 54.840 -0.046 0.000 0.899 562 L CB 1.081 43.190 42.059 0.082 0.000 1.277 562 L HN 0.089 nan 8.230 nan 0.000 0.431 563 Q N 2.350 121.957 119.800 -0.322 0.000 2.228 563 Q HA 0.275 4.614 4.340 -0.000 0.000 0.211 563 Q C 0.870 176.456 176.000 -0.689 0.000 0.890 563 Q CA 0.133 55.696 55.803 -0.401 0.000 0.953 563 Q CB 0.739 29.328 28.738 -0.248 0.000 1.053 563 Q HN 0.908 nan 8.270 nan 0.000 0.471 564 G N -0.754 107.235 108.800 -1.351 0.000 2.428 564 G HA2 0.102 4.062 3.960 -0.000 0.000 0.202 564 G HA3 0.102 4.062 3.960 -0.000 0.000 0.202 564 G C -0.282 173.796 174.900 -1.370 0.000 1.247 564 G CA -0.783 43.190 45.100 -1.878 0.000 1.020 564 G HN 0.543 nan 8.290 nan 0.000 0.529 565 G N -2.367 105.903 108.800 -0.884 0.000 2.428 565 G HA2 0.666 4.625 3.960 -0.000 0.000 0.304 565 G HA3 0.666 4.625 3.960 -0.000 0.000 0.304 565 G C -1.993 172.822 174.900 -0.141 0.000 1.303 565 G CA -0.231 44.604 45.100 -0.441 0.000 0.825 565 G HN 1.188 nan 8.290 nan 0.000 0.484 566 F N 0.650 120.814 119.950 0.356 0.000 2.496 566 F HA 0.519 5.046 4.527 -0.000 0.000 0.341 566 F C 0.615 176.691 175.800 0.459 0.000 1.134 566 F CA -0.740 57.503 58.000 0.405 0.000 0.968 566 F CB 2.060 41.198 39.000 0.230 0.000 1.205 566 F HN 0.268 nan 8.300 nan 0.000 0.436 567 V N 3.050 123.258 119.914 0.489 0.000 2.872 567 V HA -0.110 4.010 4.120 -0.000 0.000 0.307 567 V C -0.321 175.924 176.094 0.251 0.000 1.072 567 V CA -0.194 62.198 62.300 0.154 0.000 1.148 567 V CB 0.776 32.713 31.823 0.189 0.000 0.954 567 V HN 0.778 nan 8.190 nan 0.000 0.490 568 W N 6.274 127.629 121.300 0.092 0.000 2.336 568 W HA 0.459 5.119 4.660 -0.000 0.000 0.315 568 W C -0.832 175.673 176.519 -0.023 0.000 1.016 568 W CA -0.668 56.761 57.345 0.140 0.000 1.318 568 W CB 1.417 31.100 29.460 0.372 0.000 1.247 568 W HN 0.929 nan 8.180 nan 0.000 0.414 569 D N 2.718 122.830 120.400 -0.480 0.000 3.009 569 D HA 0.076 4.716 4.640 -0.000 0.000 0.318 569 D C 0.598 176.692 176.300 -0.343 0.000 1.273 569 D CA -0.466 53.143 54.000 -0.652 0.000 1.001 569 D CB 0.330 40.169 40.800 -1.602 0.000 1.411 569 D HN 0.432 nan 8.370 nan 0.000 0.577 570 W N 0.473 121.458 121.300 -0.525 0.000 2.381 570 W HA 0.078 4.738 4.660 -0.000 0.000 0.323 570 W C 0.235 176.516 176.519 -0.397 0.000 1.194 570 W CA 1.140 58.226 57.345 -0.432 0.000 1.296 570 W CB 0.210 29.444 29.460 -0.376 0.000 1.175 570 W HN 0.121 nan 8.180 nan 0.000 0.465 571 V N 2.347 122.002 119.914 -0.433 0.000 2.769 571 V HA 0.243 4.363 4.120 -0.000 0.000 0.312 571 V C -0.754 175.119 176.094 -0.368 0.000 1.061 571 V CA -0.828 61.156 62.300 -0.528 0.000 0.931 571 V CB 1.550 33.139 31.823 -0.391 0.000 1.010 571 V HN -0.058 nan 8.190 nan 0.000 0.433 572 D N 3.945 124.144 120.400 -0.334 0.000 2.458 572 D HA 0.115 4.755 4.640 -0.000 0.000 0.243 572 D C 0.095 176.225 176.300 -0.284 0.000 1.146 572 D CA 0.595 54.457 54.000 -0.231 0.000 0.877 572 D CB 0.969 41.733 40.800 -0.060 0.000 1.176 572 D HN 0.590 nan 8.370 nan 0.000 0.461 573 Q N 1.290 120.849 119.800 -0.401 0.000 3.150 573 Q HA 0.144 4.484 4.340 -0.000 0.000 0.297 573 Q C -0.261 175.695 176.000 -0.074 0.000 1.382 573 Q CA -0.322 55.001 55.803 -0.800 0.000 1.059 573 Q CB 0.155 28.543 28.738 -0.582 0.000 1.559 573 Q HN 0.341 nan 8.270 nan 0.000 0.548 574 S N 0.142 115.923 115.700 0.134 0.000 2.565 574 S HA 0.665 5.135 4.470 -0.000 0.000 0.290 574 S C -0.193 174.552 174.600 0.242 0.000 1.150 574 S CA -0.841 57.535 58.200 0.294 0.000 1.058 574 S CB 1.570 64.911 63.200 0.235 0.000 1.032 574 S HN 0.326 nan 8.310 nan 0.000 0.510 575 L N 1.997 123.260 121.223 0.067 0.000 2.330 575 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 575 L C -0.383 176.379 176.870 -0.179 0.000 1.013 575 L CA -1.225 53.522 54.840 -0.155 0.000 0.816 575 L CB 1.174 42.944 42.059 -0.481 0.000 1.287 575 L HN 0.527 nan 8.230 nan 0.000 0.435 576 I N 2.359 122.775 120.570 -0.256 0.000 2.342 576 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 576 I C 0.162 175.881 176.117 -0.663 0.000 1.010 576 I CA -0.016 61.001 61.300 -0.471 0.000 1.308 576 I CB 1.063 38.822 38.000 -0.402 0.000 1.400 576 I HN 0.606 nan 8.210 nan 0.000 0.488 577 K N 5.530 125.238 120.400 -1.154 0.000 2.346 577 K HA 0.618 4.937 4.320 -0.000 0.000 0.238 577 K C -1.584 174.284 176.600 -1.219 0.000 1.039 577 K CA -0.730 54.874 56.287 -1.139 0.000 0.861 577 K CB 2.224 33.803 32.500 -1.535 0.000 1.278 577 K HN 0.224 nan 8.250 nan 0.000 0.460 578 Y N 0.613 120.751 120.300 -0.269 0.000 2.442 578 Y HA 0.136 4.685 4.550 -0.000 0.000 0.344 578 Y C -0.036 176.018 175.900 0.257 0.000 0.976 578 Y CA -1.238 56.886 58.100 0.039 0.000 1.040 578 Y CB 1.375 39.832 38.460 -0.006 0.000 1.228 578 Y HN 0.643 nan 8.280 nan 0.000 0.451 579 D N 1.414 122.096 120.400 0.470 0.000 2.433 579 D HA 0.001 4.641 4.640 -0.000 0.000 0.255 579 D C 0.915 177.319 176.300 0.174 0.000 1.226 579 D CA -0.296 53.872 54.000 0.280 0.000 1.015 579 D CB 0.730 41.621 40.800 0.151 0.000 1.091 579 D HN 0.685 nan 8.370 nan 0.000 0.527 580 E N 0.717 120.975 120.200 0.097 0.000 2.114 580 E HA -0.269 4.080 4.350 -0.000 0.000 0.199 580 E C 1.055 177.690 176.600 0.058 0.000 1.008 580 E CA 1.220 57.656 56.400 0.060 0.000 0.810 580 E CB -0.759 28.959 29.700 0.029 0.000 0.739 580 E HN 0.467 nan 8.360 nan 0.000 0.456 581 N N 0.985 119.724 118.700 0.067 0.000 2.512 581 N HA -0.014 4.726 4.740 -0.000 0.000 0.183 581 N C 1.131 176.686 175.510 0.075 0.000 1.073 581 N CA 1.250 54.335 53.050 0.059 0.000 0.911 581 N CB 0.272 38.792 38.487 0.056 0.000 0.964 581 N HN 0.496 nan 8.380 nan 0.000 0.447 582 G N 0.746 109.617 108.800 0.117 0.000 2.142 582 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 582 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 582 G C -0.553 174.495 174.900 0.247 0.000 1.015 582 G CA -0.372 44.804 45.100 0.127 0.000 0.716 582 G HN 0.374 nan 8.290 nan 0.000 0.508 583 N N 1.576 120.445 118.700 0.283 0.000 2.473 583 N HA 0.613 5.353 4.740 -0.000 0.000 0.291 583 N C -2.253 173.441 175.510 0.306 0.000 1.083 583 N CA -1.394 51.821 53.050 0.275 0.000 0.951 583 N CB 2.180 40.776 38.487 0.182 0.000 1.164 583 N HN 0.152 nan 8.380 nan 0.000 0.480 584 P HA 0.251 nan 4.420 nan 0.000 0.282 584 P C -1.013 176.253 177.300 -0.058 0.000 1.249 584 P CA -0.414 62.525 63.100 -0.268 0.000 0.806 584 P CB 0.732 32.277 31.700 -0.259 0.000 0.984 585 W N -0.307 120.760 121.300 -0.387 0.000 3.296 585 W HA 0.365 5.024 4.660 -0.000 0.000 0.314 585 W C -1.510 174.821 176.519 -0.313 0.000 1.238 585 W CA -1.010 56.117 57.345 -0.364 0.000 1.193 585 W CB 0.308 29.378 29.460 -0.650 0.000 1.383 585 W HN 0.128 nan 8.180 nan 0.000 0.545 586 S N 1.790 117.501 115.700 0.017 0.000 2.481 586 S HA 0.555 5.025 4.470 -0.000 0.000 0.276 586 S C 0.220 174.909 174.600 0.148 0.000 1.247 586 S CA -0.089 58.124 58.200 0.021 0.000 1.053 586 S CB 0.767 64.049 63.200 0.138 0.000 0.925 586 S HN 0.617 nan 8.310 nan 0.000 0.491 587 A N 2.938 125.735 122.820 -0.039 0.000 2.354 587 A HA 0.911 5.230 4.320 -0.000 0.000 0.321 587 A C -0.707 177.110 177.584 0.388 0.000 1.125 587 A CA -0.755 51.331 52.037 0.083 0.000 0.799 587 A CB 0.804 19.610 19.000 -0.323 0.000 1.293 587 A HN 0.841 nan 8.150 nan 0.000 0.452 588 Y N -0.861 119.786 120.300 0.577 0.000 3.265 588 Y HA 0.757 5.306 4.550 -0.000 0.000 0.285 588 Y C 0.722 176.978 175.900 0.593 0.000 1.889 588 Y CA -1.368 57.072 58.100 0.566 0.000 1.021 588 Y CB -0.219 38.365 38.460 0.207 0.000 1.513 588 Y HN 0.987 nan 8.280 nan 0.000 0.543 589 G N 0.128 109.348 108.800 0.699 0.000 2.138 589 G HA2 0.350 4.310 3.960 -0.000 0.000 0.244 589 G HA3 0.350 4.310 3.960 -0.000 0.000 0.244 589 G C 1.036 176.286 174.900 0.583 0.000 1.166 589 G CA 0.739 46.185 45.100 0.577 0.000 0.902 589 G HN 1.994 nan 8.290 nan 0.000 0.460 590 G N 2.493 111.587 108.800 0.490 0.000 2.363 590 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.238 590 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.238 590 G C 1.015 176.156 174.900 0.402 0.000 1.062 590 G CA 0.709 46.047 45.100 0.396 0.000 0.629 590 G HN 0.673 nan 8.290 nan 0.000 0.514 591 D N 0.005 120.680 120.400 0.457 0.000 2.411 591 D HA 0.041 4.681 4.640 -0.000 0.000 0.226 591 D C 1.058 177.367 176.300 0.014 0.000 0.988 591 D CA 0.765 54.919 54.000 0.256 0.000 0.938 591 D CB -0.234 40.693 40.800 0.212 0.000 0.883 591 D HN 0.479 nan 8.370 nan 0.000 0.525 592 F N -1.208 118.879 119.950 0.229 0.000 2.775 592 F HA 0.305 4.832 4.527 -0.000 0.000 0.313 592 F C 1.732 177.627 175.800 0.159 0.000 1.121 592 F CA -0.232 57.863 58.000 0.159 0.000 1.206 592 F CB 0.791 39.881 39.000 0.151 0.000 1.052 592 F HN -0.056 nan 8.300 nan 0.000 0.524 593 G N 0.378 109.345 108.800 0.278 0.000 2.179 593 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 593 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 593 G C -0.046 174.997 174.900 0.238 0.000 0.977 593 G CA 0.236 45.463 45.100 0.212 0.000 0.641 593 G HN 0.421 nan 8.290 nan 0.000 0.533 594 D N 0.415 121.007 120.400 0.320 0.000 2.425 594 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 594 D C 0.135 176.565 176.300 0.217 0.000 1.147 594 D CA 1.071 55.246 54.000 0.291 0.000 0.879 594 D CB 1.537 42.562 40.800 0.375 0.000 1.179 594 D HN 0.537 nan 8.370 nan 0.000 0.456 595 T N 1.050 115.701 114.554 0.163 0.000 3.225 595 T HA 0.379 4.729 4.350 -0.000 0.000 0.356 595 T C -2.901 171.847 174.700 0.080 0.000 1.460 595 T CA -1.140 61.027 62.100 0.111 0.000 1.126 595 T CB 0.937 69.870 68.868 0.109 0.000 1.321 595 T HN 0.216 nan 8.240 nan 0.000 0.478 596 P HA 0.449 nan 4.420 nan 0.000 0.269 596 P C -0.904 176.390 177.300 -0.010 0.000 1.209 596 P CA -0.267 62.840 63.100 0.012 0.000 0.776 596 P CB 0.369 32.054 31.700 -0.024 0.000 0.876 597 N N -0.976 117.718 118.700 -0.010 0.000 2.405 597 N HA 0.318 5.058 4.740 -0.000 0.000 0.285 597 N C -1.239 174.213 175.510 -0.097 0.000 1.262 597 N CA -0.803 52.217 53.050 -0.049 0.000 0.773 597 N CB 1.165 39.718 38.487 0.110 0.000 1.490 597 N HN 0.080 nan 8.380 nan 0.000 0.486 598 D N 0.884 121.158 120.400 -0.210 0.000 3.088 598 D HA 0.215 4.855 4.640 -0.000 0.000 0.310 598 D C 0.253 176.664 176.300 0.185 0.000 1.351 598 D CA -0.248 53.672 54.000 -0.132 0.000 0.921 598 D CB 0.178 40.744 40.800 -0.391 0.000 1.045 598 D HN 0.410 nan 8.370 nan 0.000 0.504 599 R N 1.080 121.689 120.500 0.181 0.000 3.587 599 R HA -0.246 4.093 4.340 -0.000 0.000 0.556 599 R C 1.304 177.592 176.300 -0.019 0.000 0.241 599 R CA 1.379 57.565 56.100 0.143 0.000 1.724 599 R CB -1.338 28.977 30.300 0.024 0.000 0.885 599 R HN 0.392 nan 8.270 nan 0.000 0.613 600 Q N 1.172 120.701 119.800 -0.452 0.000 2.204 600 Q HA 0.120 4.460 4.340 -0.000 0.000 0.209 600 Q C 1.254 177.003 176.000 -0.419 0.000 0.861 600 Q CA 0.447 55.767 55.803 -0.805 0.000 0.971 600 Q CB 0.015 28.017 28.738 -1.227 0.000 1.095 600 Q HN 0.502 nan 8.270 nan 0.000 0.486 601 F N 1.354 121.228 119.950 -0.126 0.000 2.771 601 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 601 F C 1.704 177.501 175.800 -0.004 0.000 1.177 601 F CA 0.486 58.491 58.000 0.008 0.000 1.450 601 F CB 0.092 39.138 39.000 0.077 0.000 1.114 601 F HN 0.427 nan 8.300 nan 0.000 0.587 602 C N -1.622 117.500 119.300 -0.296 0.000 2.697 602 C HA 0.344 4.804 4.460 -0.000 0.000 0.267 602 C C 0.864 175.675 174.990 -0.300 0.000 1.278 602 C CA -0.526 58.167 59.018 -0.541 0.000 1.708 602 C CB -1.584 25.248 27.740 -1.514 0.000 1.860 602 C HN 0.169 nan 8.230 nan 0.000 0.589 603 M N 2.589 122.053 119.600 -0.226 0.000 2.065 603 M HA 0.284 4.764 4.480 -0.000 0.000 0.332 603 M C -0.412 175.776 176.300 -0.185 0.000 0.988 603 M CA 0.340 55.534 55.300 -0.176 0.000 0.944 603 M CB -0.105 32.431 32.600 -0.108 0.000 1.357 603 M HN 0.356 nan 8.290 nan 0.000 0.388 604 N N 0.780 119.361 118.700 -0.198 0.000 2.299 604 N HA 0.191 4.931 4.740 -0.000 0.000 0.246 604 N C 0.499 175.790 175.510 -0.365 0.000 1.254 604 N CA -0.568 52.323 53.050 -0.266 0.000 0.879 604 N CB 1.234 39.629 38.487 -0.153 0.000 1.214 604 N HN 0.634 nan 8.380 nan 0.000 0.510 605 G N 0.072 108.614 108.800 -0.430 0.000 2.562 605 G HA2 0.328 4.288 3.960 -0.000 0.000 0.275 605 G HA3 0.328 4.288 3.960 -0.000 0.000 0.275 605 G C 0.646 175.039 174.900 -0.845 0.000 1.196 605 G CA -0.499 44.240 45.100 -0.601 0.000 0.908 605 G HN 0.120 nan 8.290 nan 0.000 0.524 606 L N -0.319 120.427 121.223 -0.795 0.000 2.567 606 L HA 0.196 4.535 4.340 -0.000 0.000 0.225 606 L C 0.546 176.807 176.870 -1.015 0.000 1.119 606 L CA 0.133 54.532 54.840 -0.736 0.000 0.871 606 L CB -0.086 41.739 42.059 -0.389 0.000 1.036 606 L HN 0.380 nan 8.230 nan 0.000 0.459 607 V N -5.282 113.901 119.914 -1.218 0.000 3.049 607 V HA 0.505 4.624 4.120 -0.000 0.000 0.309 607 V C -0.442 175.215 176.094 -0.728 0.000 1.148 607 V CA -1.187 60.566 62.300 -0.912 0.000 0.990 607 V CB 1.719 33.019 31.823 -0.871 0.000 1.039 607 V HN -0.140 nan 8.190 nan 0.000 0.430 608 F N 1.694 121.568 119.950 -0.128 0.000 2.440 608 F HA 0.636 5.162 4.527 -0.000 0.000 0.323 608 F C 1.966 177.689 175.800 -0.129 0.000 1.192 608 F CA 0.498 58.492 58.000 -0.010 0.000 1.252 608 F CB 0.895 39.919 39.000 0.039 0.000 1.214 608 F HN 0.823 nan 8.300 nan 0.000 0.578 609 A N 0.866 123.768 122.820 0.137 0.000 2.009 609 A HA -0.243 4.077 4.320 -0.000 0.000 0.222 609 A C 1.588 179.139 177.584 -0.055 0.000 1.175 609 A CA 2.091 54.154 52.037 0.043 0.000 0.651 609 A CB -1.056 18.002 19.000 0.097 0.000 0.815 609 A HN 0.793 nan 8.150 nan 0.000 0.459 610 D N -2.505 117.883 120.400 -0.020 0.000 2.370 610 D HA 0.162 4.802 4.640 -0.000 0.000 0.230 610 D C 0.280 176.553 176.300 -0.046 0.000 1.143 610 D CA -0.189 53.769 54.000 -0.071 0.000 0.834 610 D CB -0.175 40.591 40.800 -0.056 0.000 0.944 610 D HN 0.148 nan 8.370 nan 0.000 0.504 611 R N -0.950 119.508 120.500 -0.070 0.000 3.875 611 R HA -0.133 4.207 4.340 -0.000 0.000 0.321 611 R C -0.481 175.794 176.300 -0.041 0.000 1.196 611 R CA 0.873 56.911 56.100 -0.103 0.000 0.868 611 R CB -3.215 27.060 30.300 -0.042 0.000 1.333 611 R HN 0.232 nan 8.270 nan 0.000 0.522 612 T N 1.745 116.339 114.554 0.066 0.000 2.780 612 T HA 0.380 4.730 4.350 -0.000 0.000 0.294 612 T C -2.254 172.553 174.700 0.179 0.000 0.949 612 T CA -1.232 60.955 62.100 0.145 0.000 1.074 612 T CB 1.357 70.342 68.868 0.195 0.000 0.910 612 T HN -0.107 nan 8.240 nan 0.000 0.501 613 P HA 0.055 nan 4.420 nan 0.000 0.266 613 P C 0.010 177.367 177.300 0.096 0.000 1.193 613 P CA 0.108 63.212 63.100 0.007 0.000 0.770 613 P CB 0.411 32.128 31.700 0.029 0.000 0.836 614 H N 2.594 121.524 119.070 -0.233 0.000 2.517 614 H HA 0.155 4.711 4.556 -0.000 0.000 0.346 614 H C -1.370 173.892 175.328 -0.110 0.000 1.222 614 H CA -2.081 53.820 56.048 -0.245 0.000 1.314 614 H CB 0.733 30.301 29.762 -0.324 0.000 1.609 614 H HN 0.322 nan 8.280 nan 0.000 0.571 615 P HA -0.150 nan 4.420 nan 0.000 0.215 615 P C 1.192 178.505 177.300 0.023 0.000 1.157 615 P CA 1.659 64.765 63.100 0.010 0.000 0.863 615 P CB -0.009 31.692 31.700 0.001 0.000 0.787 616 A N -0.394 122.442 122.820 0.026 0.000 1.986 616 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 616 A C 2.101 179.640 177.584 -0.075 0.000 1.171 616 A CA 1.570 53.579 52.037 -0.047 0.000 0.640 616 A CB -1.720 17.224 19.000 -0.094 0.000 0.811 616 A HN 0.175 nan 8.150 nan 0.000 0.451 617 L N -0.549 120.652 121.223 -0.037 0.000 2.079 617 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 617 L C 2.487 179.409 176.870 0.086 0.000 1.081 617 L CA 2.815 57.668 54.840 0.022 0.000 0.752 617 L CB -1.147 40.924 42.059 0.020 0.000 0.896 617 L HN 0.395 nan 8.230 nan 0.000 0.433 618 T N -1.470 113.137 114.554 0.088 0.000 2.788 618 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 618 T C 1.815 176.630 174.700 0.191 0.000 1.044 618 T CA 1.517 63.719 62.100 0.169 0.000 1.139 618 T CB -0.126 68.815 68.868 0.122 0.000 0.867 618 T HN 0.531 nan 8.240 nan 0.000 0.454 619 E N 0.760 121.012 120.200 0.086 0.000 2.077 619 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 619 E C 2.197 178.800 176.600 0.006 0.000 0.989 619 E CA 1.470 57.917 56.400 0.079 0.000 0.800 619 E CB -0.649 29.055 29.700 0.007 0.000 0.746 619 E HN 0.520 nan 8.360 nan 0.000 0.452 620 A N 1.135 123.853 122.820 -0.169 0.000 1.865 620 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 620 A C 2.197 179.686 177.584 -0.158 0.000 1.191 620 A CA 2.093 53.984 52.037 -0.244 0.000 0.623 620 A CB -0.753 18.124 19.000 -0.205 0.000 0.826 620 A HN 0.294 nan 8.150 nan 0.000 0.444 621 K N -1.348 119.040 120.400 -0.020 0.000 2.044 621 K HA -0.316 4.004 4.320 -0.000 0.000 0.210 621 K C 2.081 178.596 176.600 -0.141 0.000 1.049 621 K CA 2.177 58.466 56.287 0.002 0.000 0.927 621 K CB -0.365 32.280 32.500 0.242 0.000 0.713 621 K HN 0.677 nan 8.250 nan 0.000 0.443 622 H N 0.450 119.352 119.070 -0.280 0.000 2.293 622 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 622 H C 1.997 177.051 175.328 -0.456 0.000 1.082 622 H CA 1.961 57.640 56.048 -0.615 0.000 1.308 622 H CB -0.053 29.360 29.762 -0.581 0.000 1.375 622 H HN 0.232 nan 8.280 nan 0.000 0.495 623 Q N 0.215 119.728 119.800 -0.478 0.000 2.226 623 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 623 Q C 1.297 176.754 176.000 -0.904 0.000 0.975 623 Q CA 1.222 56.672 55.803 -0.590 0.000 0.866 623 Q CB 0.027 28.593 28.738 -0.287 0.000 0.915 623 Q HN 0.728 nan 8.270 nan 0.000 0.440 624 Q N 0.248 119.488 119.800 -0.933 0.000 2.212 624 Q HA 0.114 4.453 4.340 -0.000 0.000 0.213 624 Q C -0.168 175.317 176.000 -0.858 0.000 0.874 624 Q CA -0.225 54.887 55.803 -1.152 0.000 0.965 624 Q CB 0.374 28.443 28.738 -1.116 0.000 1.074 624 Q HN 0.371 nan 8.270 nan 0.000 0.473 625 Q N -0.476 118.955 119.800 -0.616 0.000 2.479 625 Q HA 0.005 4.345 4.340 -0.000 0.000 0.267 625 Q C -0.152 175.510 176.000 -0.563 0.000 1.071 625 Q CA 0.440 56.023 55.803 -0.366 0.000 0.935 625 Q CB 0.455 29.065 28.738 -0.212 0.000 1.295 625 Q HN 0.298 nan 8.270 nan 0.000 0.476 626 F N -0.214 119.480 119.950 -0.427 0.000 2.653 626 F HA 0.277 4.804 4.527 -0.000 0.000 0.304 626 F C -0.441 174.820 175.800 -0.899 0.000 1.092 626 F CA -0.098 57.416 58.000 -0.810 0.000 1.279 626 F CB 0.616 38.760 39.000 -1.427 0.000 1.044 626 F HN 0.267 nan 8.300 nan 0.000 0.564 627 F N 0.748 120.631 119.950 -0.110 0.000 2.539 627 F HA 0.476 5.003 4.527 -0.000 0.000 0.318 627 F C -0.220 175.271 175.800 -0.515 0.000 1.135 627 F CA -1.257 56.577 58.000 -0.278 0.000 0.915 627 F CB 1.369 40.265 39.000 -0.172 0.000 1.176 627 F HN -0.275 nan 8.300 nan 0.000 0.440 628 Q N 3.531 123.099 119.800 -0.387 0.000 2.274 628 Q HA 0.570 4.910 4.340 -0.000 0.000 0.260 628 Q C -1.332 174.376 176.000 -0.487 0.000 0.974 628 Q CA -0.530 55.086 55.803 -0.313 0.000 0.876 628 Q CB 2.722 31.386 28.738 -0.124 0.000 1.297 628 Q HN 0.493 nan 8.270 nan 0.000 0.446 629 F N 0.427 120.505 119.950 0.214 0.000 2.563 629 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 629 F C 0.361 176.426 175.800 0.443 0.000 1.076 629 F CA -0.856 57.354 58.000 0.348 0.000 0.921 629 F CB 1.854 41.190 39.000 0.559 0.000 1.209 629 F HN 0.158 nan 8.300 nan 0.000 0.462 630 R N 1.533 122.349 120.500 0.528 0.000 2.725 630 R HA 0.711 5.051 4.340 -0.000 0.000 0.277 630 R C -2.012 174.340 176.300 0.087 0.000 0.987 630 R CA -1.201 55.126 56.100 0.380 0.000 0.901 630 R CB 2.964 33.379 30.300 0.192 0.000 1.207 630 R HN 0.556 nan 8.270 nan 0.000 0.463 631 L N 0.734 121.882 121.223 -0.124 0.000 2.346 631 L HA 0.517 4.857 4.340 -0.000 0.000 0.276 631 L C -0.878 175.839 176.870 -0.256 0.000 1.006 631 L CA 0.036 54.576 54.840 -0.499 0.000 0.817 631 L CB 2.150 43.439 42.059 -1.283 0.000 1.272 631 L HN 0.549 nan 8.230 nan 0.000 0.421 632 S N 3.660 119.227 115.700 -0.223 0.000 2.524 632 S HA 0.624 5.094 4.470 -0.000 0.000 0.227 632 S C 0.469 174.979 174.600 -0.150 0.000 1.304 632 S CA 0.221 58.337 58.200 -0.140 0.000 1.185 632 S CB -0.133 63.014 63.200 -0.088 0.000 1.104 632 S HN 1.487 nan 8.310 nan 0.000 0.475 633 G N 4.406 113.114 108.800 -0.154 0.000 3.181 633 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.322 633 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.322 633 G C 0.667 175.463 174.900 -0.174 0.000 1.246 633 G CA 0.760 45.777 45.100 -0.139 0.000 0.989 633 G HN 0.595 nan 8.290 nan 0.000 0.607 634 Q N 1.083 120.786 119.800 -0.160 0.000 2.352 634 Q HA 0.222 4.561 4.340 -0.000 0.000 0.212 634 Q C 0.739 176.613 176.000 -0.210 0.000 0.888 634 Q CA 0.971 56.663 55.803 -0.185 0.000 0.934 634 Q CB 0.649 29.301 28.738 -0.145 0.000 1.093 634 Q HN 0.561 nan 8.270 nan 0.000 0.523 635 T N 1.385 115.827 114.554 -0.186 0.000 2.795 635 T HA 0.519 4.869 4.350 -0.000 0.000 0.282 635 T C 0.263 174.842 174.700 -0.203 0.000 0.980 635 T CA -0.281 61.717 62.100 -0.169 0.000 1.012 635 T CB 1.148 69.950 68.868 -0.110 0.000 0.936 635 T HN -0.023 nan 8.240 nan 0.000 0.457 636 I N 2.780 123.241 120.570 -0.182 0.000 2.336 636 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 636 I C 0.497 176.608 176.117 -0.010 0.000 0.991 636 I CA -0.573 60.636 61.300 -0.151 0.000 1.227 636 I CB 1.311 39.242 38.000 -0.116 0.000 1.366 636 I HN 0.554 nan 8.210 nan 0.000 0.466 637 E N 6.534 126.764 120.200 0.050 0.000 2.145 637 E HA 0.437 4.787 4.350 -0.000 0.000 0.270 637 E C -1.574 175.103 176.600 0.127 0.000 0.906 637 E CA -0.611 55.831 56.400 0.071 0.000 0.761 637 E CB 1.815 31.541 29.700 0.043 0.000 1.116 637 E HN 0.343 nan 8.360 nan 0.000 0.408 638 V N 4.097 124.060 119.914 0.082 0.000 2.398 638 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 638 V C -0.058 176.014 176.094 -0.036 0.000 1.026 638 V CA -0.541 61.743 62.300 -0.026 0.000 0.868 638 V CB 1.622 33.453 31.823 0.014 0.000 0.982 638 V HN 0.696 nan 8.190 nan 0.000 0.443 639 T N 3.119 117.622 114.554 -0.086 0.000 2.829 639 T HA 0.388 4.738 4.350 -0.000 0.000 0.280 639 T C -0.055 174.662 174.700 0.028 0.000 0.999 639 T CA -0.364 61.724 62.100 -0.021 0.000 0.983 639 T CB 1.651 70.495 68.868 -0.039 0.000 0.968 639 T HN 0.653 nan 8.240 nan 0.000 0.446 640 S N 1.297 117.041 115.700 0.072 0.000 2.554 640 S HA 0.237 4.707 4.470 -0.000 0.000 0.278 640 S C 0.656 175.192 174.600 -0.108 0.000 1.242 640 S CA -0.603 57.628 58.200 0.051 0.000 1.051 640 S CB 0.591 63.886 63.200 0.159 0.000 0.986 640 S HN 0.716 nan 8.310 nan 0.000 0.502 641 E N 2.627 122.659 120.200 -0.280 0.000 2.501 641 E HA 0.101 4.451 4.350 -0.000 0.000 0.200 641 E C -0.853 175.591 176.600 -0.260 0.000 1.016 641 E CA -0.095 56.143 56.400 -0.268 0.000 0.921 641 E CB 0.341 29.835 29.700 -0.343 0.000 1.034 641 E HN 0.626 nan 8.360 nan 0.000 0.468 642 Y N 0.296 120.515 120.300 -0.135 0.000 2.326 642 Y HA 0.078 4.628 4.550 -0.000 0.000 0.333 642 Y C 1.379 177.137 175.900 -0.237 0.000 1.240 642 Y CA 0.219 58.233 58.100 -0.143 0.000 1.365 642 Y CB 0.744 39.102 38.460 -0.170 0.000 1.289 642 Y HN -0.071 nan 8.280 nan 0.000 0.548 643 L N 0.485 121.552 121.223 -0.260 0.000 2.575 643 L HA 0.096 4.436 4.340 -0.000 0.000 0.228 643 L C 0.417 176.834 176.870 -0.756 0.000 1.075 643 L CA 0.373 54.806 54.840 -0.678 0.000 0.867 643 L CB 0.110 41.437 42.059 -1.221 0.000 1.097 643 L HN 0.543 nan 8.230 nan 0.000 0.485 644 F N -0.621 119.358 119.950 0.049 0.000 2.347 644 F HA 0.224 4.751 4.527 -0.000 0.000 0.266 644 F C 1.403 177.199 175.800 -0.007 0.000 0.884 644 F CA -0.844 57.154 58.000 -0.005 0.000 1.123 644 F CB -0.467 38.505 39.000 -0.047 0.000 1.098 644 F HN -0.193 nan 8.300 nan 0.000 0.803 645 R N 0.917 121.485 120.500 0.113 0.000 2.827 645 R HA 0.202 4.541 4.340 -0.000 0.000 0.269 645 R C -0.875 175.448 176.300 0.038 0.000 1.048 645 R CA -0.227 55.866 56.100 -0.011 0.000 1.173 645 R CB 0.101 30.255 30.300 -0.244 0.000 1.070 645 R HN 0.239 nan 8.270 nan 0.000 0.498 646 H N -0.458 118.591 119.070 -0.035 0.000 2.567 646 H HA 0.174 4.730 4.556 -0.000 0.000 0.345 646 H C -0.307 175.046 175.328 0.042 0.000 1.169 646 H CA -0.225 55.842 56.048 0.032 0.000 1.227 646 H CB 1.614 31.398 29.762 0.036 0.000 1.607 646 H HN 0.732 nan 8.280 nan 0.000 0.534 647 S N 1.549 117.232 115.700 -0.030 0.000 4.085 647 S HA -0.022 4.448 4.470 -0.000 0.000 0.189 647 S C 0.047 174.732 174.600 0.141 0.000 1.392 647 S CA -0.121 58.164 58.200 0.141 0.000 0.972 647 S CB -0.998 62.305 63.200 0.172 0.000 1.482 647 S HN 0.694 nan 8.310 nan 0.000 0.446 648 D N 0.377 120.869 120.400 0.153 0.000 2.336 648 D HA 0.017 4.657 4.640 -0.000 0.000 0.229 648 D C 0.543 176.897 176.300 0.089 0.000 1.061 648 D CA -0.052 54.030 54.000 0.136 0.000 0.875 648 D CB -0.239 40.631 40.800 0.117 0.000 0.904 648 D HN 0.515 nan 8.370 nan 0.000 0.525 649 N N -0.214 118.542 118.700 0.094 0.000 2.598 649 N HA 0.153 4.892 4.740 -0.000 0.000 0.295 649 N C -1.507 174.069 175.510 0.109 0.000 1.729 649 N CA -0.293 52.805 53.050 0.081 0.000 0.877 649 N CB 0.365 38.888 38.487 0.061 0.000 1.405 649 N HN 0.007 nan 8.380 nan 0.000 0.491 650 E N -0.136 120.127 120.200 0.104 0.000 2.390 650 E HA 0.563 4.913 4.350 -0.000 0.000 0.277 650 E C -1.337 175.299 176.600 0.060 0.000 0.939 650 E CA -0.815 55.644 56.400 0.098 0.000 0.769 650 E CB 2.327 32.090 29.700 0.104 0.000 1.251 650 E HN 0.261 nan 8.360 nan 0.000 0.450 651 L N -0.226 121.037 121.223 0.068 0.000 2.482 651 L HA 0.648 4.987 4.340 -0.000 0.000 0.263 651 L C -1.606 175.327 176.870 0.105 0.000 0.957 651 L CA -1.310 53.574 54.840 0.072 0.000 0.836 651 L CB 1.220 43.325 42.059 0.076 0.000 1.324 651 L HN 0.486 nan 8.230 nan 0.000 0.406 652 L N 3.437 124.729 121.223 0.116 0.000 2.380 652 L HA 0.443 4.783 4.340 -0.000 0.000 0.273 652 L C -0.599 176.407 176.870 0.226 0.000 1.138 652 L CA 0.630 55.578 54.840 0.180 0.000 0.832 652 L CB 0.347 42.525 42.059 0.198 0.000 1.124 652 L HN 0.699 nan 8.230 nan 0.000 0.454 653 H N 6.523 125.674 119.070 0.135 0.000 2.708 653 H HA 0.286 4.842 4.556 -0.000 0.000 0.320 653 H C -1.337 174.074 175.328 0.139 0.000 0.991 653 H CA -0.643 55.452 56.048 0.079 0.000 1.243 653 H CB 0.628 30.405 29.762 0.025 0.000 1.446 653 H HN 0.749 nan 8.280 nan 0.000 0.502 654 W N 5.391 126.790 121.300 0.164 0.000 2.671 654 W HA 0.677 5.337 4.660 -0.000 0.000 0.360 654 W C -1.518 175.098 176.519 0.161 0.000 1.128 654 W CA -1.328 56.114 57.345 0.161 0.000 1.184 654 W CB 1.702 31.217 29.460 0.092 0.000 1.415 654 W HN 0.463 nan 8.180 nan 0.000 0.604 655 M N 2.707 122.568 119.600 0.435 0.000 2.346 655 M HA 0.303 4.782 4.480 -0.000 0.000 0.287 655 M C -2.470 174.049 176.300 0.366 0.000 1.100 655 M CA -0.307 55.111 55.300 0.198 0.000 0.950 655 M CB 1.888 34.516 32.600 0.047 0.000 1.815 655 M HN 0.279 nan 8.290 nan 0.000 0.497 656 V N 3.549 123.680 119.914 0.361 0.000 2.472 656 V HA 0.961 5.081 4.120 -0.000 0.000 0.290 656 V C -0.100 176.113 176.094 0.199 0.000 1.037 656 V CA -0.343 62.142 62.300 0.309 0.000 0.908 656 V CB 1.431 33.443 31.823 0.315 0.000 0.985 656 V HN 0.901 nan 8.190 nan 0.000 0.454 657 A N 4.439 127.385 122.820 0.211 0.000 2.488 657 A HA 0.757 5.076 4.320 -0.000 0.000 0.298 657 A C -1.387 176.322 177.584 0.209 0.000 1.044 657 A CA -0.572 51.556 52.037 0.150 0.000 0.693 657 A CB 1.504 20.546 19.000 0.071 0.000 1.272 657 A HN 0.791 nan 8.150 nan 0.000 0.402 658 L N 2.228 123.540 121.223 0.148 0.000 2.261 658 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 658 L C -0.288 176.678 176.870 0.161 0.000 1.059 658 L CA 0.373 55.316 54.840 0.171 0.000 0.816 658 L CB -0.211 41.913 42.059 0.110 0.000 1.191 658 L HN 0.747 nan 8.230 nan 0.000 0.431 659 D N 5.129 125.697 120.400 0.279 0.000 2.755 659 D HA -0.226 4.414 4.640 -0.000 0.000 0.227 659 D C 1.198 177.485 176.300 -0.022 0.000 1.211 659 D CA 1.332 55.468 54.000 0.227 0.000 0.663 659 D CB -0.899 40.027 40.800 0.209 0.000 0.983 659 D HN 1.127 nan 8.370 nan 0.000 0.407 660 G N -0.264 108.468 108.800 -0.114 0.000 2.358 660 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.224 660 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.224 660 G C 0.233 175.035 174.900 -0.163 0.000 1.073 660 G CA 0.279 45.221 45.100 -0.263 0.000 0.635 660 G HN 0.494 nan 8.290 nan 0.000 0.509 661 K N 3.241 123.597 120.400 -0.074 0.000 2.363 661 K HA 0.408 4.728 4.320 -0.000 0.000 0.289 661 K C -2.299 174.289 176.600 -0.019 0.000 1.063 661 K CA -1.125 55.133 56.287 -0.047 0.000 0.967 661 K CB 1.180 33.672 32.500 -0.013 0.000 0.987 661 K HN 0.311 nan 8.250 nan 0.000 0.473 662 P HA 0.006 nan 4.420 nan 0.000 0.272 662 P C -0.135 177.170 177.300 0.008 0.000 1.223 662 P CA -0.073 63.018 63.100 -0.014 0.000 0.784 662 P CB 1.046 32.718 31.700 -0.047 0.000 0.923 663 L N 0.144 121.387 121.223 0.035 0.000 2.678 663 L HA 0.428 4.767 4.340 -0.000 0.000 0.187 663 L C 1.103 177.999 176.870 0.044 0.000 1.073 663 L CA 0.201 55.068 54.840 0.045 0.000 0.883 663 L CB -0.281 41.823 42.059 0.075 0.000 1.501 663 L HN 0.365 nan 8.230 nan 0.000 0.488 664 A N -0.071 122.795 122.820 0.076 0.000 2.486 664 A HA 0.864 5.184 4.320 -0.000 0.000 0.289 664 A C -0.680 176.799 177.584 -0.175 0.000 1.176 664 A CA 0.172 52.242 52.037 0.055 0.000 0.757 664 A CB 1.854 21.019 19.000 0.274 0.000 1.337 664 A HN 0.239 nan 8.150 nan 0.000 0.423 665 S N -1.682 113.641 115.700 -0.629 0.000 2.656 665 S HA 0.854 5.324 4.470 -0.000 0.000 0.265 665 S C -0.286 173.381 174.600 -1.555 0.000 1.110 665 S CA 0.164 57.554 58.200 -1.351 0.000 0.821 665 S CB 0.640 63.479 63.200 -0.602 0.000 1.099 665 S HN 2.663 nan 8.310 nan 0.000 0.471 666 G N -0.106 107.654 108.800 -1.734 0.000 2.348 666 G HA2 0.629 4.588 3.960 -0.000 0.000 0.296 666 G HA3 0.629 4.588 3.960 -0.000 0.000 0.296 666 G C -2.200 172.252 174.900 -0.746 0.000 1.258 666 G CA -0.062 44.504 45.100 -0.891 0.000 0.868 666 G HN 1.624 nan 8.290 nan 0.000 0.488 667 E N -1.529 118.552 120.200 -0.199 0.000 2.597 667 E HA 0.489 4.839 4.350 -0.000 0.000 0.310 667 E C -1.759 174.887 176.600 0.077 0.000 0.970 667 E CA -0.930 55.420 56.400 -0.083 0.000 0.819 667 E CB 1.610 31.149 29.700 -0.267 0.000 1.267 667 E HN 0.559 nan 8.360 nan 0.000 0.411 668 V N 3.083 123.086 119.914 0.148 0.000 2.513 668 V HA 0.563 4.683 4.120 -0.000 0.000 0.299 668 V C -1.983 174.162 176.094 0.085 0.000 1.035 668 V CA -1.924 60.444 62.300 0.113 0.000 0.889 668 V CB 1.506 33.402 31.823 0.122 0.000 0.988 668 V HN 0.690 nan 8.190 nan 0.000 0.440 669 P HA 0.223 nan 4.420 nan 0.000 0.271 669 P C -0.929 176.401 177.300 0.049 0.000 1.218 669 P CA -0.186 62.947 63.100 0.056 0.000 0.780 669 P CB 1.187 32.918 31.700 0.051 0.000 0.901 670 L N 2.691 123.933 121.223 0.032 0.000 2.264 670 L HA 0.286 4.626 4.340 -0.000 0.000 0.289 670 L C 0.454 177.336 176.870 0.020 0.000 1.044 670 L CA 0.074 54.913 54.840 -0.002 0.000 0.807 670 L CB 0.731 42.732 42.059 -0.096 0.000 1.192 670 L HN 0.351 nan 8.230 nan 0.000 0.425 671 D N 3.237 123.651 120.400 0.023 0.000 2.502 671 D HA 0.323 4.963 4.640 -0.000 0.000 0.301 671 D C -1.144 175.131 176.300 -0.041 0.000 1.202 671 D CA -0.149 53.884 54.000 0.056 0.000 0.878 671 D CB 0.850 41.725 40.800 0.126 0.000 1.062 671 D HN 0.039 nan 8.370 nan 0.000 0.499 672 V N 1.250 121.044 119.914 -0.201 0.000 2.448 672 V HA 0.828 4.948 4.120 -0.000 0.000 0.295 672 V C 0.696 176.501 176.094 -0.481 0.000 1.025 672 V CA -1.248 60.942 62.300 -0.183 0.000 0.859 672 V CB 1.324 33.164 31.823 0.027 0.000 0.988 672 V HN 0.486 nan 8.190 nan 0.000 0.431 673 A N 6.851 129.514 122.820 -0.261 0.000 2.322 673 A HA 0.735 5.055 4.320 -0.000 0.000 0.269 673 A C -2.206 175.386 177.584 0.014 0.000 1.094 673 A CA -1.659 50.333 52.037 -0.075 0.000 0.807 673 A CB 0.080 19.188 19.000 0.180 0.000 1.047 673 A HN 0.696 nan 8.150 nan 0.000 0.487 674 P HA -0.041 nan 4.420 nan 0.000 0.262 674 P C -0.381 176.929 177.300 0.016 0.000 1.182 674 P CA 0.759 63.891 63.100 0.053 0.000 0.761 674 P CB 0.733 32.456 31.700 0.038 0.000 0.795 675 Q N -1.106 118.689 119.800 -0.007 0.000 2.301 675 Q HA -0.162 4.177 4.340 -0.000 0.000 0.163 675 Q C 0.896 176.895 176.000 -0.001 0.000 0.576 675 Q CA 2.001 57.790 55.803 -0.023 0.000 1.368 675 Q CB -2.587 26.133 28.738 -0.031 0.000 1.325 675 Q HN 0.762 nan 8.270 nan 0.000 0.946 676 G N 0.700 109.511 108.800 0.018 0.000 2.621 676 G HA2 0.455 4.415 3.960 -0.000 0.000 0.271 676 G HA3 0.455 4.415 3.960 -0.000 0.000 0.271 676 G C -0.145 174.769 174.900 0.025 0.000 1.236 676 G CA -0.350 44.765 45.100 0.024 0.000 0.958 676 G HN 0.013 nan 8.290 nan 0.000 0.512 677 K N -0.730 119.684 120.400 0.024 0.000 2.395 677 K HA 0.486 4.806 4.320 -0.000 0.000 0.247 677 K C -0.920 175.694 176.600 0.024 0.000 0.973 677 K CA -0.655 55.645 56.287 0.022 0.000 0.828 677 K CB 2.541 35.050 32.500 0.016 0.000 1.272 677 K HN 0.525 nan 8.250 nan 0.000 0.439 678 Q N 2.385 122.200 119.800 0.025 0.000 2.289 678 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 678 Q C -1.708 174.308 176.000 0.027 0.000 1.038 678 Q CA -0.612 55.207 55.803 0.026 0.000 0.812 678 Q CB 1.562 30.315 28.738 0.025 0.000 1.300 678 Q HN 0.536 nan 8.270 nan 0.000 0.427 679 L N 4.787 126.021 121.223 0.017 0.000 2.309 679 L HA 0.575 4.915 4.340 -0.000 0.000 0.282 679 L C -0.455 176.414 176.870 -0.002 0.000 1.036 679 L CA -0.674 54.169 54.840 0.005 0.000 0.806 679 L CB 1.374 43.429 42.059 -0.007 0.000 1.220 679 L HN 0.582 nan 8.230 nan 0.000 0.429 680 I N 2.584 123.144 120.570 -0.017 0.000 2.418 680 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 680 I C -0.390 175.669 176.117 -0.097 0.000 1.008 680 I CA -0.542 60.736 61.300 -0.037 0.000 1.104 680 I CB 2.149 40.141 38.000 -0.014 0.000 1.264 680 I HN 0.534 nan 8.210 nan 0.000 0.438 681 E N 7.301 127.443 120.200 -0.096 0.000 2.046 681 E HA 0.366 4.715 4.350 -0.000 0.000 0.279 681 E C -0.972 175.519 176.600 -0.182 0.000 0.989 681 E CA -0.335 55.989 56.400 -0.126 0.000 0.798 681 E CB 0.656 30.307 29.700 -0.082 0.000 1.086 681 E HN 0.452 nan 8.360 nan 0.000 0.399 682 L N 6.750 127.799 121.223 -0.290 0.000 2.426 682 L HA 0.299 4.639 4.340 -0.000 0.000 0.271 682 L C -1.581 175.125 176.870 -0.272 0.000 1.169 682 L CA -1.763 52.811 54.840 -0.444 0.000 0.836 682 L CB 0.325 41.982 42.059 -0.671 0.000 1.112 682 L HN 0.542 nan 8.230 nan 0.000 0.465 683 P HA -0.059 nan 4.420 nan 0.000 0.270 683 P C -0.520 176.730 177.300 -0.084 0.000 1.223 683 P CA -0.454 62.602 63.100 -0.073 0.000 0.785 683 P CB 0.445 32.165 31.700 0.033 0.000 0.923 684 E N 2.079 122.252 120.200 -0.044 0.000 2.558 684 E HA -0.048 4.302 4.350 -0.000 0.000 0.235 684 E C -0.045 176.545 176.600 -0.017 0.000 1.217 684 E CA -0.103 56.274 56.400 -0.038 0.000 0.955 684 E CB -0.584 29.106 29.700 -0.017 0.000 1.027 684 E HN 0.285 nan 8.360 nan 0.000 0.491 685 L N 5.918 127.115 121.223 -0.044 0.000 2.536 685 L HA -0.004 4.336 4.340 -0.000 0.000 0.294 685 L C -1.422 175.471 176.870 0.038 0.000 1.257 685 L CA -1.154 53.688 54.840 0.003 0.000 0.850 685 L CB -0.378 41.662 42.059 -0.032 0.000 1.105 685 L HN 0.538 nan 8.230 nan 0.000 0.517 686 P HA -0.045 nan 4.420 nan 0.000 0.264 686 P C -0.967 176.360 177.300 0.044 0.000 1.193 686 P CA -0.301 62.838 63.100 0.064 0.000 0.763 686 P CB 0.794 32.544 31.700 0.084 0.000 0.810 687 Q N 5.321 125.139 119.800 0.031 0.000 2.323 687 Q HA 0.230 4.570 4.340 -0.000 0.000 0.257 687 Q C -1.806 174.210 176.000 0.027 0.000 1.022 687 Q CA -1.880 53.936 55.803 0.022 0.000 0.919 687 Q CB -0.165 28.581 28.738 0.014 0.000 1.220 687 Q HN 0.379 nan 8.270 nan 0.000 0.427 688 P HA 0.009 nan 4.420 nan 0.000 0.271 688 P C -0.615 176.702 177.300 0.027 0.000 1.233 688 P CA 0.145 63.266 63.100 0.035 0.000 0.789 688 P CB 1.127 32.850 31.700 0.039 0.000 0.951 689 E N -0.919 119.299 120.200 0.030 0.000 3.441 689 E HA 0.057 4.406 4.350 -0.000 0.000 0.195 689 E C 0.792 177.409 176.600 0.028 0.000 1.172 689 E CA -0.337 56.078 56.400 0.025 0.000 1.457 689 E CB -0.632 29.081 29.700 0.023 0.000 1.388 689 E HN 0.348 nan 8.360 nan 0.000 0.551 690 S N 0.830 116.549 115.700 0.033 0.000 2.563 690 S HA 0.283 4.752 4.470 -0.000 0.000 0.269 690 S C 0.355 174.980 174.600 0.042 0.000 1.364 690 S CA 0.171 58.393 58.200 0.036 0.000 1.010 690 S CB 0.396 63.619 63.200 0.039 0.000 0.877 690 S HN 0.468 nan 8.310 nan 0.000 0.549 691 A N 1.984 124.831 122.820 0.045 0.000 2.407 691 A HA 0.678 4.998 4.320 -0.000 0.000 0.248 691 A C 0.877 178.501 177.584 0.066 0.000 1.082 691 A CA 0.348 52.415 52.037 0.049 0.000 0.785 691 A CB -0.489 18.540 19.000 0.049 0.000 1.020 691 A HN 1.828 nan 8.150 nan 0.000 0.489 692 G N -0.321 108.521 108.800 0.071 0.000 2.356 692 G HA2 0.446 4.405 3.960 -0.000 0.000 0.288 692 G HA3 0.446 4.405 3.960 -0.000 0.000 0.288 692 G C -1.462 173.496 174.900 0.097 0.000 1.302 692 G CA -0.368 44.793 45.100 0.103 0.000 0.887 692 G HN 1.038 nan 8.290 nan 0.000 0.521 693 Q N 0.075 119.973 119.800 0.162 0.000 2.341 693 Q HA 0.697 5.037 4.340 -0.000 0.000 0.268 693 Q C -0.507 175.601 176.000 0.180 0.000 1.013 693 Q CA -0.552 55.316 55.803 0.109 0.000 0.798 693 Q CB 1.284 30.110 28.738 0.146 0.000 1.253 693 Q HN 0.566 nan 8.270 nan 0.000 0.457 694 L N 4.353 125.586 121.223 0.017 0.000 2.360 694 L HA 0.340 4.680 4.340 -0.000 0.000 0.276 694 L C -0.825 176.035 176.870 -0.017 0.000 1.121 694 L CA -0.165 54.724 54.840 0.082 0.000 0.845 694 L CB 0.513 42.593 42.059 0.035 0.000 1.143 694 L HN 0.681 nan 8.230 nan 0.000 0.452 695 W N 5.318 126.698 121.300 0.133 0.000 2.424 695 W HA 0.387 5.047 4.660 -0.000 0.000 0.318 695 W C -0.441 176.198 176.519 0.200 0.000 1.016 695 W CA -0.586 56.862 57.345 0.171 0.000 1.268 695 W CB 1.339 30.921 29.460 0.203 0.000 1.297 695 W HN 0.174 nan 8.180 nan 0.000 0.428 696 L N 4.264 125.735 121.223 0.414 0.000 2.331 696 L HA 0.677 5.017 4.340 -0.000 0.000 0.278 696 L C -0.080 177.098 176.870 0.514 0.000 1.106 696 L CA 0.784 55.876 54.840 0.419 0.000 0.824 696 L CB 0.768 43.027 42.059 0.334 0.000 1.142 696 L HN 0.318 nan 8.230 nan 0.000 0.443 697 T N 5.335 120.153 114.554 0.440 0.000 2.937 697 T HA 0.561 4.911 4.350 -0.000 0.000 0.297 697 T C -0.785 174.115 174.700 0.335 0.000 0.991 697 T CA -0.434 61.877 62.100 0.353 0.000 0.990 697 T CB 1.329 70.341 68.868 0.240 0.000 0.991 697 T HN 0.615 nan 8.240 nan 0.000 0.440 698 V N 1.654 121.734 119.914 0.277 0.000 2.667 698 V HA 0.827 4.946 4.120 -0.000 0.000 0.308 698 V C -0.562 175.597 176.094 0.109 0.000 1.048 698 V CA -1.063 61.360 62.300 0.205 0.000 0.928 698 V CB 1.861 33.751 31.823 0.111 0.000 1.004 698 V HN 0.807 nan 8.190 nan 0.000 0.444 699 R N 2.393 122.979 120.500 0.144 0.000 2.574 699 R HA 0.688 5.028 4.340 -0.000 0.000 0.288 699 R C -1.597 174.811 176.300 0.180 0.000 1.004 699 R CA -0.723 55.474 56.100 0.161 0.000 0.895 699 R CB 2.605 32.946 30.300 0.068 0.000 1.191 699 R HN 0.705 nan 8.270 nan 0.000 0.444 700 V N 4.130 124.183 119.914 0.231 0.000 2.465 700 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 700 V C -0.081 176.126 176.094 0.188 0.000 1.045 700 V CA -0.394 62.038 62.300 0.219 0.000 0.938 700 V CB 1.631 33.625 31.823 0.285 0.000 0.986 700 V HN 0.423 nan 8.190 nan 0.000 0.467 701 V N 4.964 124.970 119.914 0.153 0.000 2.604 701 V HA 0.402 4.522 4.120 -0.000 0.000 0.305 701 V C -0.323 175.851 176.094 0.133 0.000 1.043 701 V CA -0.811 61.563 62.300 0.124 0.000 0.888 701 V CB 1.955 33.840 31.823 0.103 0.000 0.995 701 V HN 0.875 nan 8.190 nan 0.000 0.429 702 Q N 5.695 125.580 119.800 0.140 0.000 2.421 702 Q HA 0.250 4.590 4.340 -0.000 0.000 0.242 702 Q C -1.533 174.513 176.000 0.077 0.000 1.024 702 Q CA -1.757 54.122 55.803 0.127 0.000 0.891 702 Q CB 1.748 30.578 28.738 0.154 0.000 1.222 702 Q HN 0.526 nan 8.270 nan 0.000 0.483 703 P HA -0.203 nan 4.420 nan 0.000 0.215 703 P C -0.304 177.007 177.300 0.018 0.000 1.157 703 P CA 1.188 64.314 63.100 0.043 0.000 0.868 703 P CB 0.303 32.029 31.700 0.043 0.000 0.788 704 N N 0.417 119.120 118.700 0.005 0.000 2.529 704 N HA 0.306 5.046 4.740 -0.000 0.000 0.278 704 N C 0.131 175.601 175.510 -0.067 0.000 1.146 704 N CA -0.161 52.875 53.050 -0.023 0.000 0.980 704 N CB 0.766 39.240 38.487 -0.022 0.000 1.124 704 N HN 0.079 nan 8.380 nan 0.000 0.458 705 A N 0.972 123.743 122.820 -0.082 0.000 2.371 705 A HA 0.448 4.768 4.320 -0.000 0.000 0.257 705 A C 0.919 178.382 177.584 -0.202 0.000 1.089 705 A CA -0.270 51.681 52.037 -0.142 0.000 0.794 705 A CB 0.112 19.054 19.000 -0.098 0.000 1.029 705 A HN 0.745 nan 8.150 nan 0.000 0.488 706 T N -1.823 112.512 114.554 -0.366 0.000 2.797 706 T HA 0.628 4.977 4.350 -0.000 0.000 0.267 706 T C 1.140 175.648 174.700 -0.320 0.000 0.986 706 T CA 0.131 61.977 62.100 -0.422 0.000 0.999 706 T CB 0.886 69.231 68.868 -0.872 0.000 1.508 706 T HN 1.144 nan 8.240 nan 0.000 0.595 707 A N -0.446 122.240 122.820 -0.223 0.000 2.072 707 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 707 A C 1.810 179.508 177.584 0.190 0.000 1.156 707 A CA 0.691 52.731 52.037 0.005 0.000 0.701 707 A CB -0.755 18.256 19.000 0.018 0.000 0.816 707 A HN 0.911 nan 8.150 nan 0.000 0.458 708 W N -0.487 120.893 121.300 0.132 0.000 2.871 708 W HA 0.361 5.021 4.660 -0.000 0.000 0.340 708 W C -0.014 176.496 176.519 -0.016 0.000 1.058 708 W CA 0.560 57.969 57.345 0.106 0.000 1.633 708 W CB -0.893 28.632 29.460 0.108 0.000 1.067 708 W HN 0.369 nan 8.180 nan 0.000 0.554 709 S N 1.720 116.993 115.700 -0.712 0.000 2.542 709 S HA 0.366 4.836 4.470 -0.000 0.000 0.293 709 S C 0.063 174.457 174.600 -0.344 0.000 1.089 709 S CA -0.680 57.138 58.200 -0.636 0.000 0.961 709 S CB 2.624 65.093 63.200 -1.219 0.000 1.062 709 S HN 0.160 nan 8.310 nan 0.000 0.483 710 E N 2.036 122.139 120.200 -0.161 0.000 2.421 710 E HA 0.465 4.815 4.350 -0.000 0.000 0.253 710 E C 0.243 176.816 176.600 -0.045 0.000 1.277 710 E CA -0.716 55.648 56.400 -0.059 0.000 0.968 710 E CB 0.092 29.801 29.700 0.015 0.000 1.040 710 E HN 0.845 nan 8.360 nan 0.000 0.512 711 A N -0.737 122.073 122.820 -0.015 0.000 2.354 711 A HA 0.493 4.812 4.320 -0.000 0.000 0.269 711 A C 1.104 178.709 177.584 0.035 0.000 1.109 711 A CA 0.206 52.242 52.037 -0.003 0.000 0.800 711 A CB -0.232 18.765 19.000 -0.004 0.000 1.045 711 A HN 1.133 nan 8.150 nan 0.000 0.489 712 G N 0.473 109.301 108.800 0.047 0.000 2.153 712 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 712 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 712 G C 0.207 175.155 174.900 0.080 0.000 0.994 712 G CA 0.807 45.940 45.100 0.055 0.000 0.698 712 G HN 1.719 nan 8.290 nan 0.000 0.521 713 H N 0.247 119.330 119.070 0.022 0.000 2.897 713 H HA 0.440 4.996 4.556 -0.000 0.000 0.347 713 H C 0.802 176.204 175.328 0.124 0.000 1.068 713 H CA 0.137 56.222 56.048 0.062 0.000 1.426 713 H CB 0.257 30.040 29.762 0.034 0.000 1.410 713 H HN 0.285 nan 8.280 nan 0.000 0.597 714 I N 4.627 124.850 120.570 -0.579 0.000 2.304 714 I HA 0.052 4.222 4.170 -0.000 0.000 0.291 714 I C 0.889 176.808 176.117 -0.330 0.000 1.018 714 I CA -0.094 61.036 61.300 -0.283 0.000 1.260 714 I CB 1.537 39.478 38.000 -0.098 0.000 1.390 714 I HN 0.757 nan 8.210 nan 0.000 0.475 715 S N 4.217 119.966 115.700 0.082 0.000 2.503 715 S HA 0.519 4.989 4.470 -0.000 0.000 0.215 715 S C 0.527 175.380 174.600 0.422 0.000 1.003 715 S CA 0.009 58.416 58.200 0.346 0.000 0.910 715 S CB 0.511 64.022 63.200 0.519 0.000 0.790 715 S HN 0.742 nan 8.310 nan 0.000 0.514 716 A N 0.337 123.430 122.820 0.454 0.000 2.586 716 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 716 A C -1.883 176.016 177.584 0.526 0.000 1.062 716 A CA -0.766 51.530 52.037 0.431 0.000 0.666 716 A CB 0.256 19.571 19.000 0.525 0.000 1.281 716 A HN 0.997 nan 8.150 nan 0.000 0.421 717 W N -0.574 120.853 121.300 0.212 0.000 2.989 717 W HA 0.785 5.445 4.660 -0.000 0.000 0.344 717 W C -1.367 175.144 176.519 -0.014 0.000 1.233 717 W CA -0.493 56.865 57.345 0.022 0.000 1.187 717 W CB 1.057 30.515 29.460 -0.004 0.000 1.443 717 W HN 1.096 nan 8.180 nan 0.000 0.573 718 Q N 1.182 121.013 119.800 0.052 0.000 2.545 718 Q HA 0.384 4.724 4.340 -0.000 0.000 0.273 718 Q C -1.607 174.248 176.000 -0.241 0.000 0.975 718 Q CA -0.421 55.250 55.803 -0.220 0.000 0.876 718 Q CB 2.365 30.758 28.738 -0.577 0.000 1.472 718 Q HN 0.606 nan 8.270 nan 0.000 0.389 719 Q N 1.522 121.160 119.800 -0.270 0.000 2.399 719 Q HA 0.647 4.987 4.340 -0.000 0.000 0.276 719 Q C -1.208 174.694 176.000 -0.163 0.000 1.098 719 Q CA -0.706 55.107 55.803 0.017 0.000 0.827 719 Q CB 2.087 31.016 28.738 0.318 0.000 1.386 719 Q HN 0.584 nan 8.270 nan 0.000 0.443 720 W N 1.181 122.639 121.300 0.263 0.000 3.129 720 W HA 0.370 5.029 4.660 -0.000 0.000 0.333 720 W C -0.506 175.919 176.519 -0.157 0.000 1.141 720 W CA -0.616 56.771 57.345 0.070 0.000 1.224 720 W CB 1.687 31.170 29.460 0.039 0.000 1.393 720 W HN 0.436 nan 8.180 nan 0.000 0.499 721 R N 3.063 123.431 120.500 -0.221 0.000 2.272 721 R HA 0.252 4.592 4.340 -0.000 0.000 0.334 721 R C 0.897 177.002 176.300 -0.325 0.000 1.117 721 R CA -0.058 55.604 56.100 -0.730 0.000 0.966 721 R CB 0.332 30.204 30.300 -0.714 0.000 1.049 721 R HN 0.432 nan 8.270 nan 0.000 0.477 722 L N 1.771 122.835 121.223 -0.265 0.000 2.522 722 L HA 0.162 4.502 4.340 -0.000 0.000 0.157 722 L C 1.089 177.870 176.870 -0.149 0.000 1.397 722 L CA 0.204 54.963 54.840 -0.135 0.000 2.938 722 L CB -0.313 41.706 42.059 -0.065 0.000 2.913 722 L HN 0.553 nan 8.230 nan 0.000 0.949 723 A N -0.382 122.376 122.820 -0.102 0.000 2.272 723 A HA 0.410 4.730 4.320 -0.000 0.000 0.275 723 A C -0.442 177.088 177.584 -0.089 0.000 1.096 723 A CA -0.089 51.899 52.037 -0.082 0.000 0.822 723 A CB 0.905 19.878 19.000 -0.046 0.000 1.088 723 A HN 0.563 nan 8.150 nan 0.000 0.495 724 E N -0.148 120.014 120.200 -0.062 0.000 2.356 724 E HA 0.385 4.735 4.350 -0.000 0.000 0.275 724 E C -1.775 174.817 176.600 -0.014 0.000 0.904 724 E CA -0.744 55.630 56.400 -0.043 0.000 0.757 724 E CB 1.270 30.935 29.700 -0.059 0.000 1.232 724 E HN 0.615 nan 8.360 nan 0.000 0.442 725 N N 4.131 122.836 118.700 0.007 0.000 2.573 725 N HA 0.278 5.018 4.740 -0.000 0.000 0.262 725 N C -0.825 174.700 175.510 0.025 0.000 1.029 725 N CA -0.370 52.689 53.050 0.016 0.000 0.882 725 N CB 1.237 39.737 38.487 0.022 0.000 1.204 725 N HN 0.472 nan 8.380 nan 0.000 0.519 726 L N 1.021 122.256 121.223 0.021 0.000 2.462 726 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 726 L C 1.310 178.199 176.870 0.032 0.000 1.166 726 L CA 0.188 55.045 54.840 0.029 0.000 0.880 726 L CB 0.397 42.471 42.059 0.024 0.000 1.142 726 L HN 0.364 nan 8.230 nan 0.000 0.473 727 S N 2.256 117.980 115.700 0.040 0.000 2.531 727 S HA 0.207 4.676 4.470 -0.000 0.000 0.279 727 S C 0.832 175.452 174.600 0.034 0.000 1.305 727 S CA -0.699 57.525 58.200 0.039 0.000 1.058 727 S CB 0.995 64.224 63.200 0.047 0.000 0.899 727 S HN 0.461 nan 8.310 nan 0.000 0.493 728 V N 2.295 122.227 119.914 0.029 0.000 3.307 728 V HA 0.248 4.368 4.120 -0.000 0.000 0.244 728 V C 1.107 177.216 176.094 0.025 0.000 1.196 728 V CA 0.579 62.894 62.300 0.025 0.000 1.132 728 V CB -1.087 30.748 31.823 0.020 0.000 0.875 728 V HN 0.909 nan 8.190 nan 0.000 0.468 729 T N 2.083 116.652 114.554 0.025 0.000 3.121 729 T HA 0.433 4.783 4.350 -0.000 0.000 0.256 729 T C 0.035 174.751 174.700 0.027 0.000 0.942 729 T CA -0.098 62.017 62.100 0.024 0.000 1.158 729 T CB -1.084 67.799 68.868 0.024 0.000 0.963 729 T HN 0.367 nan 8.240 nan 0.000 0.660 730 L N 4.752 125.990 121.223 0.025 0.000 2.461 730 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 730 L C -0.901 175.984 176.870 0.025 0.000 1.197 730 L CA -1.893 52.963 54.840 0.027 0.000 0.836 730 L CB -0.182 41.890 42.059 0.023 0.000 1.105 730 L HN 0.505 nan 8.230 nan 0.000 0.477 731 P HA -0.083 nan 4.420 nan 0.000 0.267 731 P C -0.798 176.513 177.300 0.019 0.000 1.175 731 P CA -0.252 62.865 63.100 0.027 0.000 0.763 731 P CB 0.428 32.147 31.700 0.032 0.000 0.795 732 A N 2.825 125.658 122.820 0.022 0.000 2.437 732 A HA 0.473 4.793 4.320 -0.000 0.000 0.303 732 A C 0.934 178.520 177.584 0.005 0.000 1.324 732 A CA -0.142 51.904 52.037 0.016 0.000 0.983 732 A CB -0.744 18.274 19.000 0.030 0.000 1.142 732 A HN 0.730 nan 8.150 nan 0.000 0.541 733 A N 3.722 126.528 122.820 -0.024 0.000 2.563 733 A HA 0.383 4.703 4.320 -0.000 0.000 0.256 733 A C 1.127 178.658 177.584 -0.087 0.000 1.056 733 A CA 0.698 52.701 52.037 -0.057 0.000 0.775 733 A CB -0.590 18.355 19.000 -0.091 0.000 0.973 733 A HN 1.756 nan 8.150 nan 0.000 0.516 734 S N 2.276 117.958 115.700 -0.029 0.000 2.603 734 S HA 0.292 4.762 4.470 -0.000 0.000 0.268 734 S C 0.598 175.178 174.600 -0.034 0.000 1.317 734 S CA -0.032 58.190 58.200 0.037 0.000 1.012 734 S CB 0.351 63.595 63.200 0.074 0.000 0.926 734 S HN 0.684 nan 8.310 nan 0.000 0.539 735 H N 0.734 119.818 119.070 0.024 0.000 2.535 735 H HA 0.409 4.965 4.556 -0.000 0.000 0.273 735 H C 1.254 176.598 175.328 0.027 0.000 0.983 735 H CA 0.772 56.833 56.048 0.022 0.000 1.238 735 H CB -0.561 29.212 29.762 0.019 0.000 1.412 735 H HN 0.835 nan 8.280 nan 0.000 0.562 736 A N 1.069 123.970 122.820 0.136 0.000 2.448 736 A HA 0.404 4.724 4.320 -0.000 0.000 0.239 736 A C -0.102 177.525 177.584 0.073 0.000 1.080 736 A CA 0.134 52.230 52.037 0.099 0.000 0.779 736 A CB 0.050 19.106 19.000 0.094 0.000 1.026 736 A HN 0.320 nan 8.150 nan 0.000 0.499 737 I N 1.460 122.074 120.570 0.074 0.000 2.571 737 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 737 I C -2.540 173.626 176.117 0.083 0.000 1.115 737 I CA -1.880 59.454 61.300 0.058 0.000 1.045 737 I CB 2.357 40.381 38.000 0.040 0.000 1.238 737 I HN 0.412 nan 8.210 nan 0.000 0.424 738 P HA 0.046 nan 4.420 nan 0.000 0.268 738 P C -0.947 176.423 177.300 0.118 0.000 1.205 738 P CA 0.150 63.318 63.100 0.114 0.000 0.771 738 P CB 0.318 32.051 31.700 0.055 0.000 0.858 739 H N 3.310 122.428 119.070 0.080 0.000 2.476 739 H HA 0.360 4.915 4.556 -0.000 0.000 0.328 739 H C -1.168 174.206 175.328 0.077 0.000 1.073 739 H CA -0.826 55.260 56.048 0.063 0.000 1.229 739 H CB 0.950 30.748 29.762 0.061 0.000 1.432 739 H HN 0.219 nan 8.280 nan 0.000 0.477 740 L N 5.501 126.661 121.223 -0.104 0.000 2.264 740 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 740 L C -0.560 176.383 176.870 0.122 0.000 1.044 740 L CA -0.058 54.801 54.840 0.033 0.000 0.807 740 L CB 1.149 43.160 42.059 -0.079 0.000 1.192 740 L HN 0.541 nan 8.230 nan 0.000 0.425 741 T N 3.229 117.937 114.554 0.256 0.000 2.859 741 T HA 0.598 4.948 4.350 -0.000 0.000 0.281 741 T C -0.385 174.455 174.700 0.234 0.000 1.005 741 T CA -0.409 61.839 62.100 0.248 0.000 1.025 741 T CB 1.238 70.239 68.868 0.221 0.000 0.977 741 T HN 0.659 nan 8.240 nan 0.000 0.458 742 T N 2.635 117.309 114.554 0.199 0.000 2.840 742 T HA 0.530 4.880 4.350 -0.000 0.000 0.287 742 T C -0.043 174.725 174.700 0.113 0.000 0.991 742 T CA -0.638 61.596 62.100 0.224 0.000 0.964 742 T CB 1.358 70.387 68.868 0.267 0.000 0.954 742 T HN 0.512 nan 8.240 nan 0.000 0.438 743 S N 1.311 117.040 115.700 0.048 0.000 2.718 743 S HA 0.370 4.840 4.470 -0.000 0.000 0.292 743 S C 1.236 175.795 174.600 -0.068 0.000 1.125 743 S CA -0.924 57.273 58.200 -0.004 0.000 1.013 743 S CB 1.407 64.599 63.200 -0.012 0.000 1.192 743 S HN 0.841 nan 8.310 nan 0.000 0.535 744 E N -0.762 119.397 120.200 -0.069 0.000 2.452 744 E HA 0.124 4.474 4.350 -0.000 0.000 0.197 744 E C 0.886 177.404 176.600 -0.138 0.000 1.022 744 E CA 0.294 56.640 56.400 -0.091 0.000 0.890 744 E CB 0.121 29.793 29.700 -0.048 0.000 0.918 744 E HN 0.407 nan 8.360 nan 0.000 0.496 745 M N 0.631 120.157 119.600 -0.123 0.000 2.308 745 M HA 0.248 4.728 4.480 -0.000 0.000 0.269 745 M C -1.256 174.955 176.300 -0.147 0.000 1.040 745 M CA 0.379 55.610 55.300 -0.116 0.000 1.024 745 M CB 0.904 33.475 32.600 -0.049 0.000 1.465 745 M HN -0.147 nan 8.290 nan 0.000 0.517 746 D N -1.743 118.546 120.400 -0.185 0.000 2.583 746 D HA 0.473 5.113 4.640 -0.000 0.000 0.248 746 D C -1.596 174.614 176.300 -0.150 0.000 1.209 746 D CA -0.180 53.742 54.000 -0.131 0.000 0.848 746 D CB 1.484 42.305 40.800 0.035 0.000 1.431 746 D HN -0.208 nan 8.370 nan 0.000 0.436 747 F N 0.917 120.953 119.950 0.143 0.000 2.499 747 F HA 0.432 4.958 4.527 -0.000 0.000 0.333 747 F C -0.680 175.255 175.800 0.226 0.000 1.138 747 F CA -1.218 56.863 58.000 0.134 0.000 0.945 747 F CB 1.238 40.280 39.000 0.069 0.000 1.181 747 F HN 0.297 nan 8.300 nan 0.000 0.435 748 C N 5.258 124.792 119.300 0.390 0.000 2.319 748 C HA 0.706 5.166 4.460 -0.000 0.000 0.323 748 C C -0.090 175.104 174.990 0.339 0.000 1.277 748 C CA -0.871 58.360 59.018 0.354 0.000 1.517 748 C CB 0.044 27.944 27.740 0.266 0.000 2.206 748 C HN 0.487 nan 8.230 nan 0.000 0.486 749 I N 3.209 124.027 120.570 0.413 0.000 2.354 749 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 749 I C 0.214 176.635 176.117 0.507 0.000 0.989 749 I CA 0.199 61.736 61.300 0.394 0.000 1.188 749 I CB 0.801 38.987 38.000 0.312 0.000 1.342 749 I HN 0.620 nan 8.210 nan 0.000 0.457 750 E N 5.839 126.267 120.200 0.379 0.000 2.238 750 E HA 0.720 5.070 4.350 -0.000 0.000 0.267 750 E C -1.423 175.362 176.600 0.309 0.000 0.887 750 E CA -0.990 55.593 56.400 0.305 0.000 0.769 750 E CB 2.886 32.680 29.700 0.156 0.000 1.187 750 E HN 0.295 nan 8.360 nan 0.000 0.416 751 L N 2.186 123.581 121.223 0.288 0.000 2.596 751 L HA 0.428 4.768 4.340 -0.000 0.000 0.265 751 L C 0.273 177.230 176.870 0.144 0.000 0.962 751 L CA 0.470 55.459 54.840 0.248 0.000 0.891 751 L CB 1.157 43.438 42.059 0.370 0.000 1.248 751 L HN 0.763 nan 8.230 nan 0.000 0.410 752 G N 4.300 113.154 108.800 0.090 0.000 2.634 752 G HA2 -0.459 3.501 3.960 -0.000 0.000 0.318 752 G HA3 -0.459 3.501 3.960 -0.000 0.000 0.318 752 G C 0.967 175.871 174.900 0.007 0.000 1.207 752 G CA 0.758 45.885 45.100 0.044 0.000 0.987 752 G HN 0.813 nan 8.290 nan 0.000 0.547 753 N N 1.579 120.272 118.700 -0.013 0.000 2.290 753 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 753 N C 0.865 176.316 175.510 -0.099 0.000 1.016 753 N CA 1.278 54.297 53.050 -0.052 0.000 0.871 753 N CB -0.135 38.321 38.487 -0.052 0.000 0.987 753 N HN 0.693 nan 8.380 nan 0.000 0.431 754 K N 0.774 121.085 120.400 -0.148 0.000 2.355 754 K HA 0.133 4.453 4.320 -0.000 0.000 0.270 754 K C -0.105 176.260 176.600 -0.392 0.000 1.003 754 K CA 0.060 56.114 56.287 -0.389 0.000 0.957 754 K CB 0.950 33.080 32.500 -0.616 0.000 0.939 754 K HN 0.012 nan 8.250 nan 0.000 0.482 755 R N 1.991 122.197 120.500 -0.490 0.000 2.514 755 R HA 0.268 4.608 4.340 -0.000 0.000 0.296 755 R C -1.701 174.472 176.300 -0.212 0.000 1.012 755 R CA -0.427 55.587 56.100 -0.143 0.000 0.897 755 R CB 0.995 31.353 30.300 0.097 0.000 1.184 755 R HN 0.585 nan 8.270 nan 0.000 0.440 756 W N 3.755 125.138 121.300 0.138 0.000 2.573 756 W HA 0.393 5.053 4.660 -0.000 0.000 0.326 756 W C -0.524 176.055 176.519 0.100 0.000 1.049 756 W CA -0.577 56.794 57.345 0.043 0.000 1.220 756 W CB 2.147 31.659 29.460 0.086 0.000 1.373 756 W HN 0.446 nan 8.180 nan 0.000 0.507 757 Q N 3.015 122.888 119.800 0.122 0.000 2.290 757 Q HA 0.362 4.701 4.340 -0.000 0.000 0.269 757 Q C -1.920 174.035 176.000 -0.074 0.000 1.016 757 Q CA -0.484 55.400 55.803 0.135 0.000 0.754 757 Q CB 1.239 30.073 28.738 0.161 0.000 1.247 757 Q HN 0.325 nan 8.270 nan 0.000 0.451 758 F N 2.929 122.947 119.950 0.114 0.000 2.388 758 F HA 0.292 4.818 4.527 -0.000 0.000 0.358 758 F C 0.658 176.481 175.800 0.040 0.000 1.122 758 F CA -0.833 57.205 58.000 0.064 0.000 1.056 758 F CB 1.127 40.171 39.000 0.075 0.000 1.155 758 F HN 0.479 nan 8.300 nan 0.000 0.461 759 N N 4.161 122.947 118.700 0.142 0.000 2.406 759 N HA 0.021 4.761 4.740 -0.000 0.000 0.265 759 N C 0.981 176.509 175.510 0.030 0.000 1.203 759 N CA 0.073 53.164 53.050 0.069 0.000 0.945 759 N CB 0.506 39.037 38.487 0.074 0.000 1.165 759 N HN 0.678 nan 8.380 nan 0.000 0.485 760 R N 1.869 122.314 120.500 -0.091 0.000 2.341 760 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 760 R C 1.347 177.588 176.300 -0.097 0.000 1.082 760 R CA 0.603 56.599 56.100 -0.173 0.000 1.017 760 R CB 0.233 30.275 30.300 -0.430 0.000 0.860 760 R HN 0.618 nan 8.270 nan 0.000 0.473 761 Q N -0.495 119.277 119.800 -0.047 0.000 2.376 761 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 761 Q C 1.146 177.149 176.000 0.005 0.000 0.921 761 Q CA 0.913 56.703 55.803 -0.022 0.000 0.911 761 Q CB 0.730 29.466 28.738 -0.002 0.000 1.032 761 Q HN 0.243 nan 8.270 nan 0.000 0.510 762 S N -1.703 114.014 115.700 0.027 0.000 2.541 762 S HA 0.261 4.730 4.470 -0.000 0.000 0.219 762 S C 1.133 175.646 174.600 -0.145 0.000 1.025 762 S CA 0.681 58.911 58.200 0.050 0.000 0.917 762 S CB 0.798 64.150 63.200 0.253 0.000 0.859 762 S HN 0.458 nan 8.310 nan 0.000 0.584 763 G N 0.808 109.535 108.800 -0.122 0.000 2.159 763 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.170 763 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.170 763 G C -0.286 174.526 174.900 -0.147 0.000 1.007 763 G CA -0.546 44.488 45.100 -0.109 0.000 0.672 763 G HN 0.304 nan 8.290 nan 0.000 0.507 764 F N -0.622 119.508 119.950 0.301 0.000 2.561 764 F HA 0.741 5.268 4.527 -0.000 0.000 0.321 764 F C 0.332 176.155 175.800 0.039 0.000 1.065 764 F CA -1.765 56.361 58.000 0.210 0.000 0.934 764 F CB 1.442 40.517 39.000 0.125 0.000 1.215 764 F HN -0.002 nan 8.300 nan 0.000 0.471 765 L N 2.087 123.344 121.223 0.056 0.000 2.530 765 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 765 L C 1.080 177.838 176.870 -0.186 0.000 1.141 765 L CA 0.485 55.041 54.840 -0.473 0.000 0.905 765 L CB 0.163 41.913 42.059 -0.516 0.000 1.202 765 L HN 0.727 nan 8.230 nan 0.000 0.473 766 S N 2.652 118.242 115.700 -0.183 0.000 2.501 766 S HA 0.224 4.694 4.470 -0.000 0.000 0.220 766 S C 0.554 175.018 174.600 -0.227 0.000 0.997 766 S CA 0.059 58.191 58.200 -0.112 0.000 0.919 766 S CB 0.058 63.239 63.200 -0.032 0.000 0.778 766 S HN 0.694 nan 8.310 nan 0.000 0.523 767 Q N -0.458 119.133 119.800 -0.348 0.000 2.617 767 Q HA 0.599 4.939 4.340 -0.000 0.000 0.270 767 Q C -2.040 173.571 176.000 -0.647 0.000 0.967 767 Q CA -0.199 55.266 55.803 -0.564 0.000 0.887 767 Q CB 1.243 29.531 28.738 -0.750 0.000 1.516 767 Q HN 0.404 nan 8.270 nan 0.000 0.395 768 M N 1.545 120.665 119.600 -0.800 0.000 2.593 768 M HA 0.667 5.147 4.480 -0.000 0.000 0.290 768 M C -1.399 174.450 176.300 -0.751 0.000 1.244 768 M CA -0.536 54.348 55.300 -0.693 0.000 0.857 768 M CB 2.297 34.507 32.600 -0.650 0.000 1.738 768 M HN 0.514 nan 8.290 nan 0.000 0.461 769 W N 2.502 123.559 121.300 -0.404 0.000 2.998 769 W HA 0.533 5.193 4.660 -0.000 0.000 0.335 769 W C -1.458 174.862 176.519 -0.331 0.000 1.110 769 W CA -0.525 56.642 57.345 -0.298 0.000 1.230 769 W CB 1.561 30.886 29.460 -0.225 0.000 1.405 769 W HN 0.507 nan 8.180 nan 0.000 0.493 770 I N 4.069 124.635 120.570 -0.006 0.000 2.621 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.276 770 I C 0.759 176.858 176.117 -0.030 0.000 1.118 770 I CA 0.100 61.350 61.300 -0.084 0.000 1.159 770 I CB 0.444 38.367 38.000 -0.129 0.000 1.357 770 I HN 0.642 nan 8.210 nan 0.000 0.513 771 G N 4.886 113.667 108.800 -0.031 0.000 2.503 771 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.235 771 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.235 771 G C -0.015 174.856 174.900 -0.049 0.000 1.179 771 G CA 0.173 45.244 45.100 -0.047 0.000 0.944 771 G HN 0.620 nan 8.290 nan 0.000 0.580 772 D N 0.962 121.335 120.400 -0.045 0.000 2.395 772 D HA 0.272 4.912 4.640 -0.000 0.000 0.226 772 D C 0.240 176.590 176.300 0.084 0.000 1.146 772 D CA 0.151 54.113 54.000 -0.064 0.000 0.830 772 D CB 0.247 40.998 40.800 -0.080 0.000 0.958 772 D HN 0.337 nan 8.370 nan 0.000 0.501 773 K N 1.285 121.784 120.400 0.165 0.000 2.240 773 K HA 0.296 4.616 4.320 -0.000 0.000 0.271 773 K C 0.411 177.150 176.600 0.232 0.000 1.018 773 K CA -0.473 55.909 56.287 0.157 0.000 0.874 773 K CB 1.933 34.453 32.500 0.034 0.000 1.098 773 K HN 0.071 nan 8.250 nan 0.000 0.458 774 K N 1.806 122.277 120.400 0.119 0.000 2.319 774 K HA 0.063 4.383 4.320 -0.000 0.000 0.265 774 K C 0.956 177.410 176.600 -0.244 0.000 1.000 774 K CA -0.272 55.865 56.287 -0.249 0.000 0.943 774 K CB 0.659 33.067 32.500 -0.154 0.000 0.950 774 K HN 0.352 nan 8.250 nan 0.000 0.485 775 Q N 0.586 120.163 119.800 -0.372 0.000 2.322 775 Q HA 0.229 4.569 4.340 -0.000 0.000 0.250 775 Q C 0.111 176.032 176.000 -0.132 0.000 0.853 775 Q CA 0.492 56.188 55.803 -0.179 0.000 0.951 775 Q CB 0.629 29.260 28.738 -0.178 0.000 1.114 775 Q HN 0.489 nan 8.270 nan 0.000 0.523 776 L N 0.616 121.694 121.223 -0.242 0.000 2.354 776 L HA 0.430 4.769 4.340 -0.000 0.000 0.269 776 L C 0.765 177.511 176.870 -0.206 0.000 1.005 776 L CA -0.384 54.340 54.840 -0.193 0.000 0.819 776 L CB 1.861 43.800 42.059 -0.200 0.000 1.311 776 L HN -0.099 nan 8.230 nan 0.000 0.423 777 L N 0.311 121.407 121.223 -0.212 0.000 2.638 777 L HA 0.284 4.624 4.340 -0.000 0.000 0.232 777 L C -0.188 176.571 176.870 -0.186 0.000 1.099 777 L CA 0.505 55.224 54.840 -0.201 0.000 0.883 777 L CB 0.680 42.593 42.059 -0.243 0.000 1.136 777 L HN 0.634 nan 8.230 nan 0.000 0.492 778 T N -0.242 114.190 114.554 -0.203 0.000 2.993 778 T HA 0.353 4.703 4.350 -0.000 0.000 0.312 778 T C -2.632 172.019 174.700 -0.082 0.000 1.115 778 T CA -1.085 60.942 62.100 -0.121 0.000 1.027 778 T CB 2.496 71.289 68.868 -0.124 0.000 1.116 778 T HN -0.294 nan 8.240 nan 0.000 0.464 779 P HA 0.099 nan 4.420 nan 0.000 0.267 779 P C -0.595 176.694 177.300 -0.018 0.000 1.201 779 P CA -0.692 62.393 63.100 -0.025 0.000 0.775 779 P CB 0.404 32.115 31.700 0.019 0.000 0.854 780 L N 3.944 125.191 121.223 0.039 0.000 2.363 780 L HA 0.234 4.574 4.340 -0.000 0.000 0.286 780 L C 0.095 176.985 176.870 0.035 0.000 1.106 780 L CA 0.471 55.376 54.840 0.108 0.000 0.859 780 L CB -0.927 41.286 42.059 0.258 0.000 1.223 780 L HN 0.285 nan 8.230 nan 0.000 0.446 781 R N 2.507 122.916 120.500 -0.152 0.000 2.902 781 R HA 0.556 4.896 4.340 -0.000 0.000 0.258 781 R C -0.754 175.421 176.300 -0.210 0.000 1.071 781 R CA -1.033 54.811 56.100 -0.426 0.000 1.024 781 R CB 0.931 30.785 30.300 -0.742 0.000 1.184 781 R HN 0.471 nan 8.270 nan 0.000 0.492 782 D N 0.624 120.926 120.400 -0.163 0.000 2.344 782 D HA 0.123 4.763 4.640 -0.000 0.000 0.244 782 D C -0.567 175.253 176.300 -0.800 0.000 1.134 782 D CA 0.131 53.867 54.000 -0.440 0.000 0.930 782 D CB 0.741 41.201 40.800 -0.566 0.000 1.175 782 D HN 0.207 nan 8.370 nan 0.000 0.437 783 Q N 0.669 119.785 119.800 -1.139 0.000 2.289 783 Q HA 0.340 4.680 4.340 -0.000 0.000 0.270 783 Q C -1.405 173.771 176.000 -1.373 0.000 1.038 783 Q CA -0.556 54.628 55.803 -1.031 0.000 0.812 783 Q CB 0.898 29.298 28.738 -0.563 0.000 1.300 783 Q HN 0.486 nan 8.270 nan 0.000 0.427 784 F N 0.436 119.932 119.950 -0.757 0.000 2.781 784 F HA 0.206 4.733 4.527 -0.000 0.000 0.322 784 F C 0.440 175.765 175.800 -0.793 0.000 1.108 784 F CA -0.054 57.401 58.000 -0.909 0.000 1.179 784 F CB 1.321 39.403 39.000 -1.531 0.000 1.072 784 F HN 0.426 nan 8.300 nan 0.000 0.545 785 T N -0.832 113.386 114.554 -0.559 0.000 2.888 785 T HA 0.856 5.206 4.350 -0.000 0.000 0.288 785 T C -0.546 173.899 174.700 -0.424 0.000 1.063 785 T CA -0.972 60.744 62.100 -0.641 0.000 1.010 785 T CB 2.959 71.397 68.868 -0.717 0.000 1.214 785 T HN 0.257 nan 8.240 nan 0.000 0.533 786 R N -0.688 119.639 120.500 -0.288 0.000 2.680 786 R HA 0.711 5.051 4.340 -0.000 0.000 0.269 786 R C -1.063 175.292 176.300 0.091 0.000 1.026 786 R CA -1.159 54.884 56.100 -0.095 0.000 0.889 786 R CB 1.230 31.466 30.300 -0.106 0.000 1.241 786 R HN 0.874 nan 8.270 nan 0.000 0.463 787 A N 3.841 126.689 122.820 0.048 0.000 2.507 787 A HA 0.212 4.532 4.320 -0.000 0.000 0.281 787 A C -1.798 175.841 177.584 0.092 0.000 1.154 787 A CA -0.962 51.096 52.037 0.034 0.000 0.828 787 A CB -0.704 18.268 19.000 -0.047 0.000 1.069 787 A HN 0.566 nan 8.150 nan 0.000 0.522 788 P HA -0.071 nan 4.420 nan 0.000 0.259 788 P C -0.195 177.224 177.300 0.199 0.000 1.155 788 P CA 0.832 64.096 63.100 0.275 0.000 0.759 788 P CB 0.261 32.137 31.700 0.293 0.000 0.753 789 L N 2.992 124.316 121.223 0.169 0.000 2.456 789 L HA 0.164 4.503 4.340 -0.000 0.000 0.257 789 L C 1.995 178.934 176.870 0.114 0.000 1.162 789 L CA -0.506 54.381 54.840 0.078 0.000 0.808 789 L CB -0.007 42.036 42.059 -0.027 0.000 1.136 789 L HN 0.294 nan 8.230 nan 0.000 0.466 790 D N 0.328 120.756 120.400 0.047 0.000 2.123 790 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 790 D C 1.524 177.808 176.300 -0.027 0.000 0.992 790 D CA 1.402 55.380 54.000 -0.036 0.000 0.833 790 D CB 0.037 40.728 40.800 -0.181 0.000 0.954 790 D HN 0.487 nan 8.370 nan 0.000 0.455 791 N N 1.134 119.816 118.700 -0.031 0.000 2.381 791 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 791 N C 1.046 176.591 175.510 0.059 0.000 1.025 791 N CA 0.678 53.725 53.050 -0.005 0.000 0.888 791 N CB -0.054 38.413 38.487 -0.035 0.000 0.965 791 N HN 0.287 nan 8.380 nan 0.000 0.438 792 D N 0.191 120.645 120.400 0.091 0.000 2.289 792 D HA 0.096 4.736 4.640 -0.000 0.000 0.207 792 D C 1.892 178.265 176.300 0.120 0.000 0.966 792 D CA 0.279 54.362 54.000 0.138 0.000 0.868 792 D CB 0.404 41.361 40.800 0.262 0.000 0.943 792 D HN 0.331 nan 8.370 nan 0.000 0.514 793 I N 0.079 120.715 120.570 0.110 0.000 2.731 793 I HA 0.098 4.268 4.170 -0.000 0.000 0.260 793 I C 1.777 177.944 176.117 0.083 0.000 1.138 793 I CA 0.480 61.835 61.300 0.092 0.000 1.461 793 I CB -0.122 37.926 38.000 0.080 0.000 1.128 793 I HN 0.014 nan 8.210 nan 0.000 0.438 794 G N 1.700 110.565 108.800 0.109 0.000 2.583 794 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.292 794 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.292 794 G C 0.606 175.668 174.900 0.271 0.000 1.203 794 G CA 0.741 45.951 45.100 0.185 0.000 0.987 794 G HN 0.505 nan 8.290 nan 0.000 0.554 795 V N -2.171 117.828 119.914 0.142 0.000 3.271 795 V HA 0.662 4.782 4.120 -0.000 0.000 0.327 795 V C 0.998 177.089 176.094 -0.004 0.000 1.389 795 V CA 1.004 63.317 62.300 0.022 0.000 1.156 795 V CB 0.271 32.001 31.823 -0.155 0.000 1.103 795 V HN 1.297 nan 8.190 nan 0.000 0.453 796 S N 1.326 117.041 115.700 0.025 0.000 2.481 796 S HA 0.355 4.824 4.470 -0.000 0.000 0.276 796 S C -0.016 174.592 174.600 0.013 0.000 1.247 796 S CA -0.093 58.111 58.200 0.006 0.000 1.053 796 S CB 0.310 63.516 63.200 0.010 0.000 0.925 796 S HN 0.771 nan 8.310 nan 0.000 0.491 797 E N 2.247 122.448 120.200 0.001 0.000 2.316 797 E HA 0.608 4.957 4.350 -0.000 0.000 0.258 797 E C 1.117 177.727 176.600 0.017 0.000 0.952 797 E CA -0.545 55.861 56.400 0.010 0.000 0.818 797 E CB 1.242 30.941 29.700 -0.001 0.000 1.260 797 E HN 0.652 nan 8.360 nan 0.000 0.416 798 A N 0.284 123.121 122.820 0.028 0.000 1.884 798 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 798 A C 2.128 179.725 177.584 0.022 0.000 1.197 798 A CA 3.004 55.060 52.037 0.032 0.000 0.637 798 A CB -1.318 17.707 19.000 0.043 0.000 0.827 798 A HN 0.741 nan 8.150 nan 0.000 0.450 799 T N -3.552 111.012 114.554 0.016 0.000 2.976 799 T HA 0.102 4.452 4.350 -0.000 0.000 0.257 799 T C 1.087 175.787 174.700 -0.001 0.000 1.051 799 T CA 0.938 63.043 62.100 0.009 0.000 1.141 799 T CB -0.085 68.788 68.868 0.008 0.000 0.881 799 T HN 0.226 nan 8.240 nan 0.000 0.461 800 R N 0.888 121.383 120.500 -0.009 0.000 2.233 800 R HA 0.557 4.897 4.340 -0.000 0.000 0.334 800 R C -1.503 174.786 176.300 -0.019 0.000 1.037 800 R CA -0.947 55.140 56.100 -0.021 0.000 0.920 800 R CB -0.402 29.876 30.300 -0.037 0.000 1.137 800 R HN 0.277 nan 8.270 nan 0.000 0.492 801 I N 2.668 123.228 120.570 -0.016 0.000 2.365 801 I HA 0.146 4.315 4.170 -0.000 0.000 0.291 801 I C -0.054 176.046 176.117 -0.028 0.000 1.004 801 I CA -0.326 60.965 61.300 -0.014 0.000 1.311 801 I CB 1.471 39.467 38.000 -0.006 0.000 1.401 801 I HN 0.475 nan 8.210 nan 0.000 0.491 802 D N 8.803 129.185 120.400 -0.031 0.000 2.456 802 D HA 0.255 4.895 4.640 -0.000 0.000 0.219 802 D C -1.650 174.613 176.300 -0.061 0.000 1.126 802 D CA -2.311 51.661 54.000 -0.046 0.000 0.890 802 D CB 1.369 42.143 40.800 -0.043 0.000 1.025 802 D HN 0.239 nan 8.370 nan 0.000 0.511 803 P HA -0.140 nan 4.420 nan 0.000 0.223 803 P C 0.822 178.041 177.300 -0.135 0.000 1.144 803 P CA 0.641 63.691 63.100 -0.084 0.000 0.783 803 P CB 0.554 32.212 31.700 -0.070 0.000 0.771 804 N N 0.279 118.892 118.700 -0.146 0.000 2.368 804 N HA 0.044 4.783 4.740 -0.000 0.000 0.176 804 N C 0.586 175.917 175.510 -0.298 0.000 1.021 804 N CA 0.232 53.153 53.050 -0.215 0.000 0.888 804 N CB -0.560 37.826 38.487 -0.168 0.000 0.995 804 N HN -0.044 nan 8.380 nan 0.000 0.437 805 A N -0.250 122.446 122.820 -0.207 0.000 2.561 805 A HA -0.032 4.288 4.320 -0.000 0.000 0.234 805 A C 0.751 178.151 177.584 -0.307 0.000 1.055 805 A CA -0.105 51.815 52.037 -0.196 0.000 0.756 805 A CB -0.304 18.651 19.000 -0.074 0.000 0.986 805 A HN 0.561 nan 8.150 nan 0.000 0.505 806 W N 1.743 122.802 121.300 -0.401 0.000 2.318 806 W HA -0.192 4.468 4.660 -0.000 0.000 0.313 806 W C 2.252 178.191 176.519 -0.966 0.000 1.221 806 W CA 1.763 58.598 57.345 -0.851 0.000 1.266 806 W CB -0.397 28.434 29.460 -1.048 0.000 1.150 806 W HN 0.583 nan 8.180 nan 0.000 0.496 807 V N 0.837 120.644 119.914 -0.178 0.000 2.332 807 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 807 V C 2.193 178.396 176.094 0.182 0.000 1.055 807 V CA 2.218 64.642 62.300 0.207 0.000 1.038 807 V CB -0.367 31.602 31.823 0.244 0.000 0.651 807 V HN 0.092 nan 8.190 nan 0.000 0.450 808 E N -0.040 120.171 120.200 0.018 0.000 2.072 808 E HA -0.172 4.177 4.350 -0.000 0.000 0.191 808 E C 2.343 178.928 176.600 -0.026 0.000 0.985 808 E CA 1.165 57.572 56.400 0.011 0.000 0.801 808 E CB -0.402 29.276 29.700 -0.037 0.000 0.750 808 E HN 0.620 nan 8.360 nan 0.000 0.452 809 R N -0.069 120.336 120.500 -0.158 0.000 2.091 809 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 809 R C 2.303 178.551 176.300 -0.087 0.000 1.136 809 R CA 1.439 57.419 56.100 -0.199 0.000 0.959 809 R CB -0.220 29.844 30.300 -0.393 0.000 0.856 809 R HN 0.272 nan 8.270 nan 0.000 0.437 810 W N 1.396 122.668 121.300 -0.046 0.000 2.378 810 W HA -0.055 4.605 4.660 -0.000 0.000 0.313 810 W C 2.064 178.515 176.519 -0.114 0.000 1.197 810 W CA 0.575 57.794 57.345 -0.210 0.000 1.304 810 W CB -0.831 28.626 29.460 -0.005 0.000 1.148 810 W HN 0.084 nan 8.180 nan 0.000 0.494 811 K N 0.331 120.953 120.400 0.369 0.000 2.001 811 K HA -0.181 4.139 4.320 -0.000 0.000 0.214 811 K C 2.294 178.950 176.600 0.093 0.000 1.050 811 K CA 2.268 58.730 56.287 0.290 0.000 0.934 811 K CB -0.818 31.816 32.500 0.223 0.000 0.718 811 K HN -0.003 nan 8.250 nan 0.000 0.443 812 A N 1.399 124.244 122.820 0.042 0.000 1.892 812 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 812 A C 2.370 179.916 177.584 -0.064 0.000 1.188 812 A CA 2.216 54.251 52.037 -0.004 0.000 0.631 812 A CB -0.971 18.019 19.000 -0.016 0.000 0.822 812 A HN 0.410 nan 8.150 nan 0.000 0.447 813 A N -2.199 120.557 122.820 -0.106 0.000 2.070 813 A HA 0.293 4.613 4.320 -0.000 0.000 0.220 813 A C 2.118 179.587 177.584 -0.193 0.000 1.159 813 A CA 1.744 53.700 52.037 -0.135 0.000 0.656 813 A CB -0.970 17.876 19.000 -0.257 0.000 0.800 813 A HN 2.084 nan 8.150 nan 0.000 0.453 814 G N -2.585 106.052 108.800 -0.273 0.000 2.159 814 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.227 814 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.227 814 G C 0.558 175.480 174.900 0.036 0.000 0.986 814 G CA 0.644 45.447 45.100 -0.495 0.000 0.651 814 G HN 0.742 nan 8.290 nan 0.000 0.523 815 H N -1.331 117.725 119.070 -0.023 0.000 2.387 815 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 815 H C 2.134 177.410 175.328 -0.088 0.000 1.099 815 H CA 1.505 57.546 56.048 -0.011 0.000 1.315 815 H CB 0.049 29.725 29.762 -0.144 0.000 1.380 815 H HN 0.532 nan 8.280 nan 0.000 0.513 816 Y N 0.982 121.403 120.300 0.200 0.000 2.571 816 Y HA -0.081 4.469 4.550 -0.000 0.000 0.294 816 Y C 0.936 176.920 175.900 0.140 0.000 1.141 816 Y CA 0.648 58.825 58.100 0.128 0.000 1.308 816 Y CB 0.278 38.803 38.460 0.109 0.000 1.002 816 Y HN 0.366 nan 8.280 nan 0.000 0.551 817 Q N -0.764 119.213 119.800 0.295 0.000 3.180 817 Q HA 0.629 4.969 4.340 -0.000 0.000 0.317 817 Q C -0.902 175.312 176.000 0.356 0.000 0.824 817 Q CA -0.434 55.547 55.803 0.296 0.000 0.926 817 Q CB 0.679 29.587 28.738 0.283 0.000 1.487 817 Q HN 0.089 nan 8.270 nan 0.000 0.389 818 A N 1.062 124.112 122.820 0.384 0.000 2.274 818 A HA 0.526 4.846 4.320 -0.000 0.000 0.309 818 A C -0.637 177.254 177.584 0.512 0.000 1.226 818 A CA -0.506 51.825 52.037 0.490 0.000 0.853 818 A CB 1.085 20.446 19.000 0.602 0.000 1.146 818 A HN 0.445 nan 8.150 nan 0.000 0.518 819 E N 1.745 122.155 120.200 0.350 0.000 2.194 819 E HA 0.483 4.833 4.350 -0.000 0.000 0.284 819 E C 0.091 176.710 176.600 0.032 0.000 1.035 819 E CA 0.157 56.679 56.400 0.204 0.000 0.836 819 E CB 1.037 30.817 29.700 0.134 0.000 1.070 819 E HN 0.712 nan 8.360 nan 0.000 0.401 820 A N 3.810 126.524 122.820 -0.177 0.000 2.437 820 A HA 0.533 4.853 4.320 -0.000 0.000 0.303 820 A C 0.033 177.453 177.584 -0.272 0.000 1.324 820 A CA -0.076 51.518 52.037 -0.738 0.000 0.983 820 A CB -0.098 18.407 19.000 -0.824 0.000 1.142 820 A HN 0.614 nan 8.150 nan 0.000 0.541 821 A N 2.822 125.521 122.820 -0.202 0.000 2.328 821 A HA 0.556 4.875 4.320 -0.000 0.000 0.284 821 A C -0.137 177.397 177.584 -0.083 0.000 1.160 821 A CA -0.484 51.507 52.037 -0.078 0.000 0.818 821 A CB 0.241 19.219 19.000 -0.037 0.000 1.087 821 A HN 1.184 nan 8.150 nan 0.000 0.504 822 L N 3.336 124.504 121.223 -0.090 0.000 2.319 822 L HA 0.350 4.690 4.340 -0.000 0.000 0.280 822 L C 0.475 177.239 176.870 -0.178 0.000 1.099 822 L CA 0.221 54.927 54.840 -0.223 0.000 0.828 822 L CB 0.360 42.294 42.059 -0.209 0.000 1.150 822 L HN 0.766 nan 8.230 nan 0.000 0.442 823 L N 3.283 124.379 121.223 -0.213 0.000 2.316 823 L HA 0.302 4.642 4.340 -0.000 0.000 0.207 823 L C 0.580 177.384 176.870 -0.110 0.000 1.070 823 L CA 0.167 54.937 54.840 -0.115 0.000 0.820 823 L CB 0.019 42.036 42.059 -0.070 0.000 0.992 823 L HN 0.737 nan 8.230 nan 0.000 0.466 824 Q N -0.684 119.019 119.800 -0.162 0.000 2.472 824 Q HA 0.322 4.662 4.340 -0.000 0.000 0.281 824 Q C -1.997 173.933 176.000 -0.117 0.000 0.997 824 Q CA -0.586 55.156 55.803 -0.103 0.000 0.828 824 Q CB 2.986 31.689 28.738 -0.057 0.000 1.443 824 Q HN 0.046 nan 8.270 nan 0.000 0.390 825 C N 3.071 122.351 119.300 -0.032 0.000 3.277 825 C HA 0.559 5.019 4.460 -0.000 0.000 0.352 825 C C -0.754 174.345 174.990 0.182 0.000 0.998 825 C CA 0.459 59.503 59.018 0.043 0.000 1.303 825 C CB -0.039 27.718 27.740 0.029 0.000 1.698 825 C HN 0.802 nan 8.230 nan 0.000 0.574 826 T N 1.739 116.333 114.554 0.067 0.000 2.942 826 T HA 0.914 5.264 4.350 -0.000 0.000 0.289 826 T C -0.280 174.215 174.700 -0.340 0.000 1.044 826 T CA -0.154 61.934 62.100 -0.020 0.000 1.023 826 T CB 2.027 70.868 68.868 -0.045 0.000 1.123 826 T HN 1.687 nan 8.240 nan 0.000 0.512 827 A N 1.458 123.911 122.820 -0.612 0.000 2.393 827 A HA 0.756 5.076 4.320 -0.000 0.000 0.306 827 A C -1.424 175.907 177.584 -0.423 0.000 1.050 827 A CA -0.751 50.831 52.037 -0.758 0.000 0.724 827 A CB 1.410 19.511 19.000 -1.498 0.000 1.248 827 A HN 0.825 nan 8.150 nan 0.000 0.424 828 D N 0.316 120.533 120.400 -0.305 0.000 2.547 828 D HA 0.670 5.310 4.640 -0.000 0.000 0.231 828 D C -0.754 175.442 176.300 -0.173 0.000 1.099 828 D CA 0.035 53.917 54.000 -0.197 0.000 0.901 828 D CB 2.045 42.761 40.800 -0.141 0.000 1.478 828 D HN 0.368 nan 8.370 nan 0.000 0.471 829 T N 0.958 115.432 114.554 -0.132 0.000 2.824 829 T HA 0.630 4.980 4.350 -0.000 0.000 0.280 829 T C 0.137 174.785 174.700 -0.087 0.000 0.995 829 T CA -0.546 61.485 62.100 -0.114 0.000 1.009 829 T CB 0.734 69.537 68.868 -0.108 0.000 0.955 829 T HN 0.080 nan 8.240 nan 0.000 0.452 830 L N 1.134 122.310 121.223 -0.078 0.000 2.260 830 L HA 0.628 4.968 4.340 -0.000 0.000 0.265 830 L C 1.725 178.566 176.870 -0.049 0.000 1.015 830 L CA -1.354 53.450 54.840 -0.060 0.000 0.826 830 L CB 0.722 42.746 42.059 -0.059 0.000 1.373 830 L HN 0.721 nan 8.230 nan 0.000 0.450 831 A N 0.252 123.049 122.820 -0.040 0.000 2.234 831 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 831 A C 0.625 178.189 177.584 -0.032 0.000 1.167 831 A CA 1.847 53.864 52.037 -0.033 0.000 0.698 831 A CB -0.646 18.337 19.000 -0.029 0.000 0.779 831 A HN 0.870 nan 8.150 nan 0.000 0.475 832 D N -4.015 116.364 120.400 -0.036 0.000 3.048 832 D HA 0.415 5.055 4.640 -0.000 0.000 0.290 832 D C -0.280 175.999 176.300 -0.035 0.000 1.667 832 D CA 0.609 54.590 54.000 -0.031 0.000 0.835 832 D CB -0.937 39.843 40.800 -0.033 0.000 1.438 832 D HN 0.748 nan 8.370 nan 0.000 0.463 833 A N -0.431 122.359 122.820 -0.049 0.000 2.581 833 A HA 0.537 4.857 4.320 -0.000 0.000 0.294 833 A C -1.372 176.158 177.584 -0.090 0.000 1.035 833 A CA -0.650 51.346 52.037 -0.067 0.000 0.684 833 A CB 1.175 20.134 19.000 -0.068 0.000 1.282 833 A HN 0.085 nan 8.150 nan 0.000 0.417 834 V N 0.933 120.778 119.914 -0.114 0.000 2.743 834 V HA 0.645 4.764 4.120 -0.000 0.000 0.301 834 V C -0.466 175.527 176.094 -0.169 0.000 1.057 834 V CA -0.403 61.810 62.300 -0.145 0.000 1.006 834 V CB 1.448 33.185 31.823 -0.143 0.000 1.024 834 V HN 0.895 nan 8.190 nan 0.000 0.473 835 L N 5.166 126.269 121.223 -0.199 0.000 2.415 835 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 835 L C -0.789 175.926 176.870 -0.259 0.000 0.984 835 L CA -0.005 54.725 54.840 -0.185 0.000 0.853 835 L CB 1.193 43.174 42.059 -0.131 0.000 1.215 835 L HN 0.384 nan 8.230 nan 0.000 0.419 836 I N 3.580 123.970 120.570 -0.300 0.000 2.331 836 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 836 I C 0.189 176.241 176.117 -0.108 0.000 0.998 836 I CA -0.147 60.916 61.300 -0.394 0.000 1.267 836 I CB 1.313 38.758 38.000 -0.926 0.000 1.386 836 I HN 0.506 nan 8.210 nan 0.000 0.476 837 T N 5.371 119.870 114.554 -0.093 0.000 2.770 837 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 837 T C 0.427 175.151 174.700 0.040 0.000 0.988 837 T CA -0.487 61.617 62.100 0.006 0.000 0.957 837 T CB 1.404 70.255 68.868 -0.028 0.000 0.930 837 T HN 0.794 nan 8.240 nan 0.000 0.443 838 T N -0.178 114.449 114.554 0.121 0.000 2.927 838 T HA 0.893 5.243 4.350 -0.000 0.000 0.286 838 T C -0.911 173.806 174.700 0.028 0.000 1.040 838 T CA -1.108 61.034 62.100 0.070 0.000 1.010 838 T CB 1.937 70.959 68.868 0.257 0.000 1.177 838 T HN 0.794 nan 8.240 nan 0.000 0.546 839 A N 1.455 124.184 122.820 -0.152 0.000 2.508 839 A HA 0.586 4.906 4.320 -0.000 0.000 0.297 839 A C -1.371 176.061 177.584 -0.253 0.000 1.036 839 A CA -0.813 51.194 52.037 -0.051 0.000 0.957 839 A CB -0.003 18.983 19.000 -0.022 0.000 1.428 839 A HN 0.983 nan 8.150 nan 0.000 0.393 840 H N 0.598 119.712 119.070 0.073 0.000 2.710 840 H HA 0.843 5.399 4.556 -0.000 0.000 0.361 840 H C 0.186 175.548 175.328 0.058 0.000 1.175 840 H CA 0.067 56.084 56.048 -0.051 0.000 1.206 840 H CB 2.086 31.678 29.762 -0.284 0.000 1.750 840 H HN 1.039 nan 8.280 nan 0.000 0.553 841 A N 1.697 124.567 122.820 0.084 0.000 2.545 841 A HA 0.219 4.539 4.320 -0.000 0.000 0.300 841 A C -1.252 176.419 177.584 0.146 0.000 1.252 841 A CA -0.682 51.455 52.037 0.166 0.000 0.753 841 A CB 0.437 19.494 19.000 0.094 0.000 1.144 841 A HN 0.539 nan 8.150 nan 0.000 0.457 842 W N 2.467 123.921 121.300 0.256 0.000 2.304 842 W HA 0.315 4.975 4.660 -0.000 0.000 0.313 842 W C 0.131 176.733 176.519 0.138 0.000 1.323 842 W CA 0.383 57.886 57.345 0.263 0.000 1.223 842 W CB 0.867 30.583 29.460 0.427 0.000 1.237 842 W HN 0.712 nan 8.180 nan 0.000 0.535 843 Q N 1.155 121.140 119.800 0.308 0.000 2.668 843 Q HA 0.461 4.800 4.340 -0.000 0.000 0.298 843 Q C -0.937 175.228 176.000 0.275 0.000 1.071 843 Q CA -0.982 54.946 55.803 0.208 0.000 0.789 843 Q CB 3.404 32.217 28.738 0.124 0.000 1.497 843 Q HN 0.390 nan 8.270 nan 0.000 0.460 844 H N 0.800 119.931 119.070 0.101 0.000 3.235 844 H HA 0.049 4.605 4.556 -0.000 0.000 0.324 844 H C -1.188 174.184 175.328 0.073 0.000 1.059 844 H CA -0.007 56.105 56.048 0.106 0.000 1.497 844 H CB 0.903 30.743 29.762 0.129 0.000 1.986 844 H HN 0.842 nan 8.280 nan 0.000 0.444 845 Q N 3.506 123.149 119.800 -0.262 0.000 2.451 845 Q HA -0.263 4.076 4.340 -0.000 0.000 0.305 845 Q C 1.027 177.012 176.000 -0.025 0.000 1.345 845 Q CA 1.217 56.923 55.803 -0.161 0.000 0.854 845 Q CB -1.627 27.007 28.738 -0.173 0.000 1.162 845 Q HN 1.184 nan 8.270 nan 0.000 0.440 846 G N -0.298 108.501 108.800 -0.002 0.000 2.640 846 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.226 846 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.226 846 G C 0.270 175.192 174.900 0.037 0.000 1.222 846 G CA 0.434 45.545 45.100 0.019 0.000 0.729 846 G HN 0.391 nan 8.290 nan 0.000 0.516 847 K N 2.920 123.352 120.400 0.053 0.000 2.453 847 K HA 0.436 4.755 4.320 -0.000 0.000 0.280 847 K C 0.122 176.747 176.600 0.042 0.000 1.045 847 K CA 0.796 57.112 56.287 0.049 0.000 1.059 847 K CB 0.018 32.557 32.500 0.065 0.000 0.901 847 K HN 0.222 nan 8.250 nan 0.000 0.475 848 T N 7.062 121.626 114.554 0.016 0.000 2.738 848 T HA 0.178 4.528 4.350 -0.000 0.000 0.294 848 T C 1.261 175.907 174.700 -0.090 0.000 0.914 848 T CA -0.387 61.718 62.100 0.008 0.000 1.052 848 T CB 0.208 69.092 68.868 0.026 0.000 0.897 848 T HN 0.501 nan 8.240 nan 0.000 0.522 849 L N 2.329 123.430 121.223 -0.203 0.000 2.084 849 L HA 0.291 4.631 4.340 -0.000 0.000 0.202 849 L C -0.052 176.253 176.870 -0.941 0.000 1.074 849 L CA 0.981 55.415 54.840 -0.677 0.000 0.757 849 L CB -0.007 41.440 42.059 -1.020 0.000 0.918 849 L HN 0.482 nan 8.230 nan 0.000 0.444 850 F N -1.119 118.786 119.950 -0.075 0.000 2.613 850 F HA 0.589 5.116 4.527 -0.000 0.000 0.314 850 F C -0.375 175.505 175.800 0.134 0.000 1.075 850 F CA -0.871 57.023 58.000 -0.175 0.000 0.945 850 F CB 1.750 40.264 39.000 -0.812 0.000 1.310 850 F HN -0.308 nan 8.300 nan 0.000 0.467 851 I N 1.346 122.123 120.570 0.344 0.000 2.499 851 I HA 0.355 4.524 4.170 -0.000 0.000 0.288 851 I C -0.921 175.451 176.117 0.425 0.000 1.048 851 I CA -0.517 61.004 61.300 0.369 0.000 1.062 851 I CB 2.226 40.361 38.000 0.225 0.000 1.238 851 I HN 0.555 nan 8.210 nan 0.000 0.426 852 S N 7.137 123.174 115.700 0.562 0.000 2.669 852 S HA 0.511 4.980 4.470 -0.000 0.000 0.315 852 S C -0.579 174.273 174.600 0.420 0.000 1.106 852 S CA -0.715 57.817 58.200 0.552 0.000 1.107 852 S CB 0.402 64.098 63.200 0.826 0.000 0.990 852 S HN 0.537 nan 8.310 nan 0.000 0.471 853 R N 3.521 124.187 120.500 0.276 0.000 2.312 853 R HA 0.561 4.901 4.340 -0.000 0.000 0.311 853 R C -0.446 175.935 176.300 0.136 0.000 1.004 853 R CA -0.592 55.621 56.100 0.189 0.000 0.902 853 R CB 1.398 31.779 30.300 0.135 0.000 1.073 853 R HN 0.539 nan 8.270 nan 0.000 0.457 854 K N 0.549 121.019 120.400 0.116 0.000 2.480 854 K HA 0.469 4.789 4.320 -0.000 0.000 0.258 854 K C -0.967 175.619 176.600 -0.024 0.000 0.990 854 K CA -0.926 55.355 56.287 -0.011 0.000 0.857 854 K CB 2.557 35.024 32.500 -0.055 0.000 1.384 854 K HN 0.649 nan 8.250 nan 0.000 0.446 855 T N -1.155 113.305 114.554 -0.155 0.000 3.143 855 T HA 0.413 4.763 4.350 -0.000 0.000 0.312 855 T C -1.384 173.235 174.700 -0.136 0.000 0.986 855 T CA -0.794 61.269 62.100 -0.062 0.000 1.024 855 T CB 0.021 68.867 68.868 -0.036 0.000 1.030 855 T HN 0.336 nan 8.240 nan 0.000 0.448 856 Y N 1.807 122.067 120.300 -0.066 0.000 2.326 856 Y HA 0.652 5.202 4.550 -0.000 0.000 0.337 856 Y C 0.846 176.671 175.900 -0.125 0.000 1.023 856 Y CA -1.272 56.801 58.100 -0.044 0.000 1.143 856 Y CB 1.415 39.884 38.460 0.015 0.000 1.183 856 Y HN 0.678 nan 8.280 nan 0.000 0.485 857 R N 4.537 125.055 120.500 0.030 0.000 2.352 857 R HA 0.537 4.876 4.340 -0.000 0.000 0.304 857 R C -1.704 174.534 176.300 -0.103 0.000 1.104 857 R CA -0.300 55.770 56.100 -0.050 0.000 0.991 857 R CB 0.158 30.436 30.300 -0.035 0.000 1.140 857 R HN 0.776 nan 8.270 nan 0.000 0.540 858 I N 4.772 125.218 120.570 -0.207 0.000 2.304 858 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 858 I C -0.086 175.907 176.117 -0.206 0.000 1.018 858 I CA -0.585 60.505 61.300 -0.350 0.000 1.260 858 I CB 1.141 38.703 38.000 -0.730 0.000 1.390 858 I HN 0.644 nan 8.210 nan 0.000 0.475 859 D N 3.852 124.176 120.400 -0.125 0.000 2.592 859 D HA 0.357 4.997 4.640 -0.000 0.000 0.259 859 D C 1.355 177.651 176.300 -0.007 0.000 1.144 859 D CA -0.661 53.306 54.000 -0.054 0.000 1.080 859 D CB 0.663 41.446 40.800 -0.028 0.000 1.225 859 D HN 0.401 nan 8.370 nan 0.000 0.619 860 G N -0.818 107.989 108.800 0.012 0.000 2.469 860 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 860 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 860 G C 1.351 176.291 174.900 0.067 0.000 1.136 860 G CA 1.376 46.501 45.100 0.043 0.000 0.759 860 G HN 0.598 nan 8.290 nan 0.000 0.562 861 S N -0.237 115.498 115.700 0.058 0.000 2.603 861 S HA 0.317 4.787 4.470 -0.000 0.000 0.229 861 S C 1.773 176.439 174.600 0.110 0.000 0.972 861 S CA 0.955 59.200 58.200 0.075 0.000 0.935 861 S CB -0.327 62.910 63.200 0.062 0.000 0.769 861 S HN 1.647 nan 8.310 nan 0.000 0.536 862 G N 0.759 109.638 108.800 0.131 0.000 2.198 862 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 862 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 862 G C -0.372 174.677 174.900 0.249 0.000 1.042 862 G CA 0.022 45.272 45.100 0.250 0.000 0.791 862 G HN 0.641 nan 8.290 nan 0.000 0.502 863 Q N -0.834 119.035 119.800 0.116 0.000 2.316 863 Q HA 0.630 4.969 4.340 -0.000 0.000 0.264 863 Q C 0.117 176.137 176.000 0.033 0.000 0.987 863 Q CA -0.680 55.197 55.803 0.123 0.000 0.852 863 Q CB 2.023 30.825 28.738 0.107 0.000 1.287 863 Q HN 0.438 nan 8.270 nan 0.000 0.448 864 M N 2.103 121.759 119.600 0.094 0.000 2.113 864 M HA 0.490 4.969 4.480 -0.000 0.000 0.352 864 M C -1.152 175.236 176.300 0.146 0.000 1.170 864 M CA -0.372 54.951 55.300 0.038 0.000 1.053 864 M CB 0.736 33.382 32.600 0.078 0.000 1.601 864 M HN 0.733 nan 8.290 nan 0.000 0.459 865 A N 7.697 130.568 122.820 0.084 0.000 2.341 865 A HA 0.562 4.882 4.320 -0.000 0.000 0.326 865 A C -0.631 176.976 177.584 0.037 0.000 1.402 865 A CA -0.685 51.399 52.037 0.079 0.000 0.957 865 A CB -0.198 18.829 19.000 0.045 0.000 1.151 865 A HN 0.925 nan 8.150 nan 0.000 0.533 866 I N 2.218 122.808 120.570 0.032 0.000 2.325 866 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 866 I C 0.072 176.069 176.117 -0.200 0.000 1.019 866 I CA 0.052 61.263 61.300 -0.149 0.000 1.302 866 I CB 1.467 39.413 38.000 -0.091 0.000 1.401 866 I HN 0.399 nan 8.210 nan 0.000 0.485 867 T N 6.211 120.607 114.554 -0.264 0.000 2.809 867 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 867 T C -0.122 174.379 174.700 -0.332 0.000 1.015 867 T CA -0.391 61.554 62.100 -0.258 0.000 0.954 867 T CB 1.196 70.004 68.868 -0.099 0.000 0.950 867 T HN 0.214 nan 8.240 nan 0.000 0.450 868 V N 3.574 123.155 119.914 -0.556 0.000 2.547 868 V HA 0.547 4.667 4.120 -0.000 0.000 0.299 868 V C -0.200 175.731 176.094 -0.271 0.000 1.040 868 V CA -0.824 61.182 62.300 -0.490 0.000 0.913 868 V CB 1.860 33.117 31.823 -0.943 0.000 0.992 868 V HN 0.791 nan 8.190 nan 0.000 0.449 869 D N 2.612 123.027 120.400 0.025 0.000 2.336 869 D HA 0.377 5.016 4.640 -0.000 0.000 0.248 869 D C -0.900 175.544 176.300 0.241 0.000 1.326 869 D CA -0.014 54.102 54.000 0.193 0.000 0.973 869 D CB 2.295 43.223 40.800 0.214 0.000 1.255 869 D HN 0.271 nan 8.370 nan 0.000 0.558 870 V N 1.567 121.667 119.914 0.309 0.000 2.716 870 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 870 V C 0.456 176.705 176.094 0.259 0.000 1.053 870 V CA -0.592 61.896 62.300 0.314 0.000 0.984 870 V CB 2.392 34.435 31.823 0.366 0.000 1.021 870 V HN 0.310 nan 8.190 nan 0.000 0.467 871 E N 1.413 121.746 120.200 0.222 0.000 2.222 871 E HA 0.656 5.006 4.350 -0.000 0.000 0.267 871 E C -1.721 174.981 176.600 0.169 0.000 0.884 871 E CA -0.563 55.944 56.400 0.178 0.000 0.764 871 E CB 2.556 32.340 29.700 0.141 0.000 1.169 871 E HN 0.438 nan 8.360 nan 0.000 0.413 872 V N 1.871 121.884 119.914 0.165 0.000 2.531 872 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 872 V C -0.037 176.102 176.094 0.076 0.000 1.034 872 V CA -1.006 61.380 62.300 0.144 0.000 0.865 872 V CB 1.572 33.534 31.823 0.232 0.000 0.995 872 V HN 0.849 nan 8.190 nan 0.000 0.424 873 A N 3.270 126.072 122.820 -0.030 0.000 2.566 873 A HA 0.243 4.563 4.320 -0.000 0.000 0.245 873 A C 1.328 178.935 177.584 0.038 0.000 1.056 873 A CA 0.660 52.686 52.037 -0.019 0.000 0.757 873 A CB 0.128 19.078 19.000 -0.085 0.000 0.979 873 A HN 1.448 nan 8.150 nan 0.000 0.508 874 S N 1.244 116.978 115.700 0.056 0.000 2.881 874 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 874 S C 0.248 174.881 174.600 0.056 0.000 0.965 874 S CA 0.508 58.759 58.200 0.085 0.000 0.998 874 S CB -0.318 62.928 63.200 0.076 0.000 0.795 874 S HN 0.804 nan 8.310 nan 0.000 0.518 875 D N -1.328 119.087 120.400 0.025 0.000 2.740 875 D HA 0.100 4.740 4.640 -0.000 0.000 0.305 875 D C -0.399 175.894 176.300 -0.010 0.000 1.583 875 D CA -0.277 53.724 54.000 0.002 0.000 0.790 875 D CB -0.079 40.724 40.800 0.004 0.000 1.187 875 D HN 0.187 nan 8.370 nan 0.000 0.447 876 T N 1.792 116.345 114.554 -0.002 0.000 2.881 876 T HA 0.440 4.790 4.350 -0.000 0.000 0.290 876 T C -2.806 171.940 174.700 0.077 0.000 1.000 876 T CA -1.507 60.620 62.100 0.045 0.000 0.978 876 T CB 1.751 70.648 68.868 0.048 0.000 0.997 876 T HN -0.136 nan 8.240 nan 0.000 0.443 877 P HA -0.063 nan 4.420 nan 0.000 0.261 877 P C -0.367 177.198 177.300 0.441 0.000 1.158 877 P CA 0.089 63.281 63.100 0.153 0.000 0.758 877 P CB 0.213 32.026 31.700 0.188 0.000 0.763 878 H N 3.959 123.403 119.070 0.625 0.000 3.125 878 H HA 0.033 4.589 4.556 -0.000 0.000 0.310 878 H C -1.537 174.095 175.328 0.507 0.000 0.980 878 H CA -1.239 55.096 56.048 0.479 0.000 1.422 878 H CB -0.738 29.253 29.762 0.380 0.000 1.432 878 H HN 0.405 nan 8.280 nan 0.000 0.577 879 P HA -0.021 nan 4.420 nan 0.000 0.267 879 P C 0.381 177.569 177.300 -0.187 0.000 1.200 879 P CA -0.080 63.023 63.100 0.005 0.000 0.772 879 P CB 0.706 32.289 31.700 -0.197 0.000 0.855 880 A N 3.696 126.162 122.820 -0.591 0.000 2.067 880 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 880 A C 1.074 178.291 177.584 -0.613 0.000 1.158 880 A CA 1.222 52.878 52.037 -0.635 0.000 0.661 880 A CB -0.512 17.856 19.000 -1.053 0.000 0.801 880 A HN 0.772 nan 8.150 nan 0.000 0.452 881 R N -3.128 117.043 120.500 -0.548 0.000 2.741 881 R HA 0.709 5.049 4.340 -0.000 0.000 0.276 881 R C -1.605 174.470 176.300 -0.375 0.000 1.028 881 R CA -0.779 55.017 56.100 -0.507 0.000 0.865 881 R CB 0.650 30.591 30.300 -0.599 0.000 1.268 881 R HN -0.020 nan 8.270 nan 0.000 0.475 882 I N 1.028 121.412 120.570 -0.310 0.000 2.560 882 I HA 0.621 4.791 4.170 -0.000 0.000 0.278 882 I C -0.507 175.386 176.117 -0.373 0.000 1.089 882 I CA -0.322 60.830 61.300 -0.247 0.000 1.086 882 I CB 1.725 39.623 38.000 -0.170 0.000 1.202 882 I HN 0.972 nan 8.210 nan 0.000 0.471 883 G N 5.574 114.100 108.800 -0.458 0.000 2.772 883 G HA2 0.774 4.734 3.960 -0.000 0.000 0.284 883 G HA3 0.774 4.734 3.960 -0.000 0.000 0.284 883 G C -1.544 173.194 174.900 -0.269 0.000 1.217 883 G CA -0.514 44.343 45.100 -0.406 0.000 0.831 883 G HN 0.233 nan 8.290 nan 0.000 0.523 884 L N 0.747 121.861 121.223 -0.181 0.000 2.303 884 L HA 0.677 5.017 4.340 -0.000 0.000 0.256 884 L C -0.807 175.962 176.870 -0.168 0.000 1.034 884 L CA -1.109 53.653 54.840 -0.131 0.000 0.832 884 L CB 2.548 44.619 42.059 0.019 0.000 1.403 884 L HN 0.836 nan 8.230 nan 0.000 0.419 885 N N 0.320 118.952 118.700 -0.113 0.000 2.859 885 N HA 0.619 5.359 4.740 -0.000 0.000 0.250 885 N C -1.458 174.079 175.510 0.045 0.000 1.341 885 N CA -0.506 52.509 53.050 -0.058 0.000 0.881 885 N CB 2.370 40.819 38.487 -0.062 0.000 1.516 885 N HN 0.874 nan 8.380 nan 0.000 0.503 886 C N -1.195 118.175 119.300 0.116 0.000 3.303 886 C HA 0.510 4.970 4.460 -0.000 0.000 0.340 886 C C -1.035 173.896 174.990 -0.099 0.000 1.274 886 C CA -0.849 58.214 59.018 0.076 0.000 1.234 886 C CB 1.051 28.839 27.740 0.080 0.000 1.532 886 C HN 0.846 nan 8.230 nan 0.000 0.483 887 Q N 1.667 121.160 119.800 -0.513 0.000 2.390 887 Q HA 0.596 4.936 4.340 -0.000 0.000 0.249 887 Q C -0.576 175.150 176.000 -0.456 0.000 0.996 887 Q CA -0.371 54.832 55.803 -0.999 0.000 0.899 887 Q CB 0.618 28.324 28.738 -1.720 0.000 1.216 887 Q HN 0.748 nan 8.270 nan 0.000 0.465 888 L N 2.071 123.141 121.223 -0.254 0.000 2.473 888 L HA 0.145 4.485 4.340 -0.000 0.000 0.268 888 L C 1.170 177.986 176.870 -0.091 0.000 1.215 888 L CA -0.041 54.768 54.840 -0.051 0.000 0.823 888 L CB 0.469 42.607 42.059 0.131 0.000 1.099 888 L HN 0.767 nan 8.230 nan 0.000 0.483 889 A N 1.341 124.146 122.820 -0.026 0.000 1.935 889 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 889 A C 1.038 178.611 177.584 -0.018 0.000 1.178 889 A CA 0.318 52.322 52.037 -0.055 0.000 0.640 889 A CB -0.123 18.840 19.000 -0.062 0.000 0.825 889 A HN 0.786 nan 8.150 nan 0.000 0.447 890 Q N -1.207 118.615 119.800 0.036 0.000 2.584 890 Q HA 0.479 4.819 4.340 -0.000 0.000 0.218 890 Q C -0.760 175.259 176.000 0.032 0.000 1.079 890 Q CA 0.410 56.214 55.803 0.001 0.000 1.008 890 Q CB 0.876 29.584 28.738 -0.050 0.000 1.267 890 Q HN 0.086 nan 8.270 nan 0.000 0.586 891 V N 0.902 120.804 119.914 -0.020 0.000 2.763 891 V HA 0.496 4.615 4.120 -0.000 0.000 0.257 891 V C -0.831 175.255 176.094 -0.014 0.000 0.906 891 V CA -0.613 61.719 62.300 0.054 0.000 0.894 891 V CB 0.965 32.803 31.823 0.025 0.000 1.052 891 V HN 0.818 nan 8.190 nan 0.000 0.491 892 A N 2.140 124.876 122.820 -0.141 0.000 2.287 892 A HA 0.625 4.945 4.320 -0.000 0.000 0.273 892 A C 0.956 178.595 177.584 0.091 0.000 1.091 892 A CA -0.187 51.752 52.037 -0.163 0.000 0.817 892 A CB 0.632 19.321 19.000 -0.519 0.000 1.069 892 A HN 0.734 nan 8.150 nan 0.000 0.492 893 E N -0.224 120.012 120.200 0.061 0.000 2.230 893 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 893 E C 0.145 176.832 176.600 0.144 0.000 0.987 893 E CA 0.542 56.998 56.400 0.094 0.000 0.841 893 E CB 0.190 29.921 29.700 0.051 0.000 0.783 893 E HN 0.438 nan 8.360 nan 0.000 0.481 894 R N 0.188 120.792 120.500 0.174 0.000 2.888 894 R HA 0.564 4.903 4.340 -0.000 0.000 0.266 894 R C -0.727 175.772 176.300 0.332 0.000 1.020 894 R CA -0.872 55.355 56.100 0.210 0.000 0.963 894 R CB 1.903 32.292 30.300 0.149 0.000 1.197 894 R HN -0.192 nan 8.270 nan 0.000 0.481 895 V N 1.531 121.638 119.914 0.322 0.000 2.623 895 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 895 V C -0.516 175.848 176.094 0.451 0.000 1.054 895 V CA -0.958 61.569 62.300 0.377 0.000 0.882 895 V CB 2.077 34.055 31.823 0.260 0.000 1.002 895 V HN 0.654 nan 8.190 nan 0.000 0.424 896 N N 4.000 122.950 118.700 0.416 0.000 2.314 896 N HA 0.599 5.338 4.740 -0.000 0.000 0.294 896 N C -1.500 174.280 175.510 0.450 0.000 1.029 896 N CA -0.402 52.867 53.050 0.365 0.000 0.845 896 N CB 2.873 41.464 38.487 0.175 0.000 1.321 896 N HN 0.829 nan 8.380 nan 0.000 0.481 897 W N 3.224 124.577 121.300 0.089 0.000 3.213 897 W HA 0.543 5.203 4.660 -0.000 0.000 0.318 897 W C -2.155 174.357 176.519 -0.012 0.000 1.248 897 W CA -1.062 56.316 57.345 0.056 0.000 1.187 897 W CB 0.578 30.104 29.460 0.109 0.000 1.403 897 W HN 0.224 nan 8.180 nan 0.000 0.556 898 L N 4.597 125.790 121.223 -0.050 0.000 2.277 898 L HA 0.909 5.249 4.340 -0.000 0.000 0.284 898 L C 0.083 176.814 176.870 -0.232 0.000 1.028 898 L CA 0.516 55.137 54.840 -0.365 0.000 0.835 898 L CB 0.508 42.432 42.059 -0.226 0.000 1.215 898 L HN 1.003 nan 8.230 nan 0.000 0.425 899 G N 3.788 112.334 108.800 -0.424 0.000 2.356 899 G HA2 0.186 4.146 3.960 -0.000 0.000 0.281 899 G HA3 0.186 4.146 3.960 -0.000 0.000 0.281 899 G C -1.581 173.449 174.900 0.217 0.000 1.246 899 G CA -1.025 44.115 45.100 0.066 0.000 0.889 899 G HN 0.388 nan 8.290 nan 0.000 0.486 900 L N 1.512 122.963 121.223 0.379 0.000 2.361 900 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 900 L C 1.035 178.037 176.870 0.221 0.000 1.113 900 L CA 0.728 55.731 54.840 0.272 0.000 0.849 900 L CB 0.422 42.572 42.059 0.151 0.000 1.155 900 L HN 1.074 nan 8.230 nan 0.000 0.452 901 G N 3.416 112.134 108.800 -0.137 0.000 2.494 901 G HA2 0.290 4.250 3.960 -0.000 0.000 0.308 901 G HA3 0.290 4.250 3.960 -0.000 0.000 0.308 901 G C -2.671 171.422 174.900 -1.346 0.000 1.263 901 G CA -0.229 44.425 45.100 -0.743 0.000 0.840 901 G HN 0.311 nan 8.290 nan 0.000 0.479 902 P HA 0.033 nan 4.420 nan 0.000 0.224 902 P C 0.456 177.550 177.300 -0.343 0.000 1.157 902 P CA 0.703 63.143 63.100 -1.099 0.000 0.799 902 P CB 0.437 31.627 31.700 -0.851 0.000 0.809 903 Q N 0.643 120.239 119.800 -0.340 0.000 2.396 903 Q HA 0.116 4.456 4.340 -0.000 0.000 0.221 903 Q C 0.496 176.378 176.000 -0.196 0.000 1.025 903 Q CA -0.448 55.232 55.803 -0.206 0.000 0.946 903 Q CB 0.519 29.162 28.738 -0.159 0.000 1.224 903 Q HN 0.168 nan 8.270 nan 0.000 0.539 904 E N 1.434 121.525 120.200 -0.182 0.000 2.529 904 E HA -0.095 4.255 4.350 -0.000 0.000 0.259 904 E C -1.163 175.366 176.600 -0.119 0.000 0.966 904 E CA 0.171 56.455 56.400 -0.192 0.000 0.937 904 E CB 0.250 29.881 29.700 -0.116 0.000 0.923 904 E HN 0.592 nan 8.360 nan 0.000 0.468 905 N N 2.879 121.454 118.700 -0.209 0.000 2.324 905 N HA 0.303 5.043 4.740 -0.000 0.000 0.285 905 N C -1.911 173.437 175.510 -0.270 0.000 1.076 905 N CA -0.676 52.308 53.050 -0.110 0.000 0.864 905 N CB 0.727 39.155 38.487 -0.099 0.000 1.632 905 N HN 0.253 nan 8.380 nan 0.000 0.478 906 Y N 0.452 120.680 120.300 -0.119 0.000 2.598 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.340 906 Y C -1.584 174.288 175.900 -0.047 0.000 1.038 906 Y CA -1.999 56.027 58.100 -0.123 0.000 1.100 906 Y CB 1.818 40.200 38.460 -0.130 0.000 1.281 906 Y HN 0.443 nan 8.280 nan 0.000 0.488 907 P HA -0.257 nan 4.420 nan 0.000 0.219 907 P C 0.615 177.999 177.300 0.141 0.000 1.161 907 P CA 2.488 65.739 63.100 0.251 0.000 0.909 907 P CB 0.176 32.121 31.700 0.408 0.000 0.793 908 D N -2.147 118.059 120.400 -0.324 0.000 2.319 908 D HA -0.030 4.610 4.640 -0.000 0.000 0.230 908 D C 0.613 176.772 176.300 -0.234 0.000 1.094 908 D CA 0.212 53.721 54.000 -0.819 0.000 0.856 908 D CB -0.194 39.821 40.800 -1.308 0.000 0.915 908 D HN 0.168 nan 8.370 nan 0.000 0.517 909 R N 0.899 121.379 120.500 -0.033 0.000 2.924 909 R HA 0.144 4.483 4.340 -0.000 0.000 0.233 909 R C -0.735 175.616 176.300 0.086 0.000 1.685 909 R CA -0.153 55.978 56.100 0.051 0.000 1.462 909 R CB 0.032 30.355 30.300 0.039 0.000 1.542 909 R HN 0.107 nan 8.270 nan 0.000 0.667 910 L N -1.479 119.808 121.223 0.105 0.000 3.520 910 L HA 0.315 4.655 4.340 -0.000 0.000 0.323 910 L C 1.364 178.309 176.870 0.124 0.000 1.246 910 L CA 0.221 55.118 54.840 0.096 0.000 1.085 910 L CB 0.027 42.136 42.059 0.083 0.000 1.477 910 L HN 0.131 nan 8.230 nan 0.000 0.624 911 T N -1.965 112.689 114.554 0.165 0.000 2.720 911 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 911 T C 1.880 176.651 174.700 0.118 0.000 1.037 911 T CA 1.703 63.922 62.100 0.199 0.000 1.144 911 T CB -0.579 68.457 68.868 0.279 0.000 0.864 911 T HN 0.406 nan 8.240 nan 0.000 0.444 912 A N 2.167 125.066 122.820 0.132 0.000 2.015 912 A HA 0.535 4.855 4.320 -0.000 0.000 0.219 912 A C 1.716 179.401 177.584 0.169 0.000 1.163 912 A CA 0.807 52.875 52.037 0.052 0.000 0.646 912 A CB -1.176 17.993 19.000 0.282 0.000 0.806 912 A HN 0.922 nan 8.150 nan 0.000 0.448 913 A N -1.195 121.673 122.820 0.080 0.000 2.445 913 A HA 0.426 4.746 4.320 -0.000 0.000 0.242 913 A C 0.124 177.748 177.584 0.068 0.000 1.075 913 A CA 0.029 52.072 52.037 0.011 0.000 0.777 913 A CB -0.175 18.816 19.000 -0.014 0.000 1.013 913 A HN 0.520 nan 8.150 nan 0.000 0.493 914 C N 0.506 119.845 119.300 0.065 0.000 2.529 914 C HA 0.584 5.044 4.460 -0.000 0.000 0.329 914 C C -0.166 174.951 174.990 0.213 0.000 1.194 914 C CA -0.479 58.630 59.018 0.152 0.000 1.779 914 C CB 0.920 28.758 27.740 0.163 0.000 2.322 914 C HN 0.783 nan 8.230 nan 0.000 0.500 915 F N 3.384 123.187 119.950 -0.246 0.000 2.424 915 F HA 0.532 5.059 4.527 -0.000 0.000 0.356 915 F C 0.309 175.751 175.800 -0.595 0.000 1.110 915 F CA 0.949 58.642 58.000 -0.513 0.000 1.161 915 F CB 0.010 38.214 39.000 -1.328 0.000 1.115 915 F HN 0.648 nan 8.300 nan 0.000 0.507 916 D N 3.151 122.793 120.400 -1.262 0.000 2.893 916 D HA 0.133 4.773 4.640 -0.000 0.000 0.346 916 D C -1.692 173.652 176.300 -1.593 0.000 1.402 916 D CA -0.727 52.443 54.000 -1.385 0.000 0.815 916 D CB 1.398 41.348 40.800 -1.417 0.000 1.403 916 D HN 0.447 nan 8.370 nan 0.000 0.484 917 R N 0.743 120.441 120.500 -1.336 0.000 2.202 917 R HA 0.490 4.830 4.340 -0.000 0.000 0.334 917 R C -1.445 174.135 176.300 -1.200 0.000 1.036 917 R CA -0.091 55.402 56.100 -1.012 0.000 0.878 917 R CB 0.142 30.085 30.300 -0.595 0.000 1.067 917 R HN 0.269 nan 8.270 nan 0.000 0.457 918 W N 2.957 123.727 121.300 -0.884 0.000 2.666 918 W HA 0.407 5.067 4.660 -0.000 0.000 0.334 918 W C -0.480 175.700 176.519 -0.565 0.000 1.051 918 W CA -0.745 56.042 57.345 -0.930 0.000 1.224 918 W CB 1.781 30.206 29.460 -1.725 0.000 1.405 918 W HN 0.358 nan 8.180 nan 0.000 0.513 919 D N 3.202 123.602 120.400 0.000 0.000 2.686 919 D HA 0.575 5.214 4.640 -0.000 0.000 0.249 919 D C -1.335 175.081 176.300 0.193 0.000 1.260 919 D CA -0.193 53.885 54.000 0.129 0.000 0.910 919 D CB 1.301 42.132 40.800 0.051 0.000 1.323 919 D HN 0.390 nan 8.370 nan 0.000 0.561 920 L N 3.236 124.632 121.223 0.289 0.000 2.409 920 L HA 0.544 4.884 4.340 -0.000 0.000 0.255 920 L C -2.390 174.595 176.870 0.191 0.000 1.027 920 L CA -1.991 52.984 54.840 0.225 0.000 0.834 920 L CB 3.014 45.232 42.059 0.265 0.000 1.426 920 L HN 0.169 nan 8.230 nan 0.000 0.411 921 P HA 0.041 nan 4.420 nan 0.000 0.275 921 P C 0.654 178.024 177.300 0.118 0.000 1.227 921 P CA -0.400 62.772 63.100 0.119 0.000 0.781 921 P CB 1.349 33.099 31.700 0.084 0.000 0.906 922 L N 4.146 125.447 121.223 0.131 0.000 2.123 922 L HA -0.316 4.023 4.340 -0.000 0.000 0.217 922 L C 2.365 179.270 176.870 0.059 0.000 1.081 922 L CA 2.959 57.856 54.840 0.094 0.000 0.772 922 L CB -1.559 40.574 42.059 0.122 0.000 0.890 922 L HN 0.505 nan 8.230 nan 0.000 0.437 923 S N -1.854 113.888 115.700 0.071 0.000 2.399 923 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 923 S C 1.542 176.204 174.600 0.103 0.000 1.022 923 S CA 1.118 59.373 58.200 0.092 0.000 0.983 923 S CB -0.762 62.487 63.200 0.080 0.000 0.803 923 S HN 0.554 nan 8.310 nan 0.000 0.480 924 D N 1.075 121.513 120.400 0.062 0.000 2.363 924 D HA 0.116 4.755 4.640 -0.000 0.000 0.226 924 D C 0.909 177.196 176.300 -0.021 0.000 1.020 924 D CA 0.473 54.486 54.000 0.022 0.000 0.892 924 D CB -0.086 40.734 40.800 0.034 0.000 0.900 924 D HN 0.391 nan 8.370 nan 0.000 0.531 925 M N -0.370 119.225 119.600 -0.008 0.000 2.453 925 M HA 0.097 4.577 4.480 -0.000 0.000 0.239 925 M C -0.295 175.986 176.300 -0.032 0.000 1.151 925 M CA -0.202 55.042 55.300 -0.093 0.000 0.989 925 M CB -0.662 31.874 32.600 -0.107 0.000 1.548 925 M HN -0.058 nan 8.290 nan 0.000 0.479 926 Y N 0.038 120.272 120.300 -0.111 0.000 2.373 926 Y HA 0.474 5.024 4.550 -0.000 0.000 0.336 926 Y C -0.796 175.010 175.900 -0.155 0.000 0.979 926 Y CA -0.927 57.118 58.100 -0.092 0.000 1.080 926 Y CB 1.295 39.766 38.460 0.018 0.000 1.190 926 Y HN -0.090 nan 8.280 nan 0.000 0.446 927 T N 9.154 123.137 114.554 -0.952 0.000 2.738 927 T HA 0.240 4.589 4.350 -0.000 0.000 0.298 927 T C -2.450 171.398 174.700 -1.420 0.000 0.962 927 T CA -1.447 60.020 62.100 -1.054 0.000 0.972 927 T CB 0.943 69.201 68.868 -1.016 0.000 0.928 927 T HN 0.487 nan 8.240 nan 0.000 0.474 928 P HA -0.019 nan 4.420 nan 0.000 0.271 928 P C -0.596 176.541 177.300 -0.272 0.000 1.601 928 P CA -0.296 62.413 63.100 -0.652 0.000 0.856 928 P CB -0.595 30.844 31.700 -0.435 0.000 1.820 929 Y N -0.229 119.983 120.300 -0.146 0.000 2.717 929 Y HA -0.096 4.454 4.550 -0.000 0.000 0.330 929 Y C 2.266 178.215 175.900 0.082 0.000 1.217 929 Y CA -0.204 57.906 58.100 0.015 0.000 1.506 929 Y CB -0.087 38.311 38.460 -0.103 0.000 1.268 929 Y HN -0.135 nan 8.280 nan 0.000 0.561 930 V N 3.672 123.814 119.914 0.380 0.000 2.317 930 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 930 V C 0.718 177.002 176.094 0.317 0.000 1.065 930 V CA 1.583 64.078 62.300 0.325 0.000 1.049 930 V CB -0.664 31.384 31.823 0.374 0.000 0.651 930 V HN 0.600 nan 8.190 nan 0.000 0.450 931 F N 2.754 122.775 119.950 0.119 0.000 2.371 931 F HA 0.517 5.043 4.527 -0.000 0.000 0.363 931 F C -2.439 173.395 175.800 0.058 0.000 1.122 931 F CA -3.795 54.231 58.000 0.043 0.000 1.129 931 F CB 0.674 39.613 39.000 -0.103 0.000 1.173 931 F HN -0.013 nan 8.300 nan 0.000 0.489 932 P HA 0.197 nan 4.420 nan 0.000 0.266 932 P C -0.994 175.934 177.300 -0.620 0.000 1.195 932 P CA 0.338 63.181 63.100 -0.428 0.000 0.768 932 P CB 0.919 32.423 31.700 -0.328 0.000 0.838 933 S N 0.420 115.966 115.700 -0.257 0.000 2.643 933 S HA 0.380 4.850 4.470 -0.000 0.000 0.266 933 S C -0.985 173.596 174.600 -0.031 0.000 1.130 933 S CA -1.017 57.086 58.200 -0.160 0.000 0.817 933 S CB 0.405 63.539 63.200 -0.110 0.000 1.107 933 S HN 0.321 nan 8.310 nan 0.000 0.471 934 E N 1.271 121.473 120.200 0.003 0.000 2.608 934 E HA 0.357 4.707 4.350 -0.000 0.000 0.259 934 E C -0.123 176.534 176.600 0.095 0.000 0.951 934 E CA 1.008 57.440 56.400 0.052 0.000 0.945 934 E CB -0.263 29.500 29.700 0.105 0.000 0.916 934 E HN 0.818 nan 8.360 nan 0.000 0.477 935 N N 1.594 120.360 118.700 0.109 0.000 3.116 935 N HA 0.489 5.229 4.740 -0.000 0.000 0.244 935 N C 0.234 175.749 175.510 0.008 0.000 1.485 935 N CA -0.503 52.624 53.050 0.129 0.000 0.884 935 N CB 0.797 39.300 38.487 0.027 0.000 1.415 935 N HN 0.715 nan 8.380 nan 0.000 0.524 936 G N -1.404 107.359 108.800 -0.062 0.000 2.184 936 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 936 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 936 G C -0.163 174.456 174.900 -0.469 0.000 0.975 936 G CA 0.450 45.406 45.100 -0.240 0.000 0.642 936 G HN 0.751 nan 8.290 nan 0.000 0.536 937 L N 0.041 120.916 121.223 -0.580 0.000 2.499 937 L HA 0.619 4.959 4.340 -0.000 0.000 0.281 937 L C 0.608 176.893 176.870 -0.975 0.000 1.234 937 L CA 0.540 54.802 54.840 -0.963 0.000 0.839 937 L CB 0.500 41.651 42.059 -1.515 0.000 1.104 937 L HN 0.261 nan 8.230 nan 0.000 0.500 938 R N 2.592 122.455 120.500 -1.062 0.000 2.514 938 R HA 0.462 4.802 4.340 -0.000 0.000 0.296 938 R C -1.104 174.870 176.300 -0.544 0.000 1.012 938 R CA -0.272 55.331 56.100 -0.828 0.000 0.897 938 R CB 1.256 30.852 30.300 -1.173 0.000 1.184 938 R HN 0.728 nan 8.270 nan 0.000 0.440 939 C N 0.617 119.736 119.300 -0.302 0.000 2.325 939 C HA 0.758 5.218 4.460 -0.000 0.000 0.370 939 C C 1.266 176.245 174.990 -0.018 0.000 1.217 939 C CA -0.163 58.759 59.018 -0.159 0.000 2.254 939 C CB 1.234 28.905 27.740 -0.115 0.000 2.282 939 C HN 1.026 nan 8.230 nan 0.000 0.564 940 G N 2.017 110.809 108.800 -0.015 0.000 2.338 940 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.296 940 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.296 940 G C -0.142 174.822 174.900 0.107 0.000 1.040 940 G CA 0.378 45.510 45.100 0.053 0.000 1.004 940 G HN 0.839 nan 8.290 nan 0.000 0.509 941 T N 0.233 114.727 114.554 -0.099 0.000 2.767 941 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 941 T C 1.312 175.773 174.700 -0.398 0.000 0.973 941 T CA -0.736 61.282 62.100 -0.136 0.000 0.996 941 T CB 1.461 70.228 68.868 -0.168 0.000 0.927 941 T HN 0.252 nan 8.240 nan 0.000 0.456 942 R N 1.536 122.013 120.500 -0.038 0.000 2.254 942 R HA 0.272 4.612 4.340 -0.000 0.000 0.193 942 R C 0.532 176.898 176.300 0.111 0.000 0.929 942 R CA 0.215 56.338 56.100 0.039 0.000 1.038 942 R CB 0.375 30.792 30.300 0.196 0.000 1.009 942 R HN 0.658 nan 8.270 nan 0.000 0.512 943 E N 0.797 121.068 120.200 0.119 0.000 2.287 943 E HA 0.268 4.618 4.350 -0.000 0.000 0.274 943 E C -1.773 174.984 176.600 0.263 0.000 0.896 943 E CA -0.636 55.893 56.400 0.214 0.000 0.788 943 E CB 1.422 31.209 29.700 0.145 0.000 1.244 943 E HN -0.112 nan 8.360 nan 0.000 0.408 944 L N 4.598 126.041 121.223 0.367 0.000 2.356 944 L HA 0.567 4.907 4.340 -0.000 0.000 0.277 944 L C -1.681 175.415 176.870 0.375 0.000 0.996 944 L CA -0.472 54.544 54.840 0.295 0.000 0.822 944 L CB 1.530 43.661 42.059 0.121 0.000 1.256 944 L HN 0.431 nan 8.230 nan 0.000 0.413 945 N N 4.922 123.810 118.700 0.312 0.000 2.442 945 N HA 0.330 5.069 4.740 -0.000 0.000 0.274 945 N C -1.938 173.812 175.510 0.400 0.000 1.002 945 N CA -0.257 52.964 53.050 0.284 0.000 0.910 945 N CB 1.960 40.554 38.487 0.178 0.000 1.244 945 N HN 0.552 nan 8.380 nan 0.000 0.492 946 Y N 1.457 121.920 120.300 0.272 0.000 2.332 946 Y HA 0.436 4.986 4.550 -0.000 0.000 0.325 946 Y C 0.733 176.755 175.900 0.204 0.000 1.054 946 Y CA 0.009 58.273 58.100 0.272 0.000 1.119 946 Y CB 0.765 39.465 38.460 0.400 0.000 1.168 946 Y HN 0.846 nan 8.280 nan 0.000 0.439 947 G N 6.865 115.500 108.800 -0.275 0.000 2.596 947 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.295 947 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.295 947 G C -1.565 173.211 174.900 -0.206 0.000 1.240 947 G CA 0.125 45.041 45.100 -0.306 0.000 0.985 947 G HN 0.571 nan 8.290 nan 0.000 0.555 948 P HA 0.043 nan 4.420 nan 0.000 0.229 948 P C 0.446 177.547 177.300 -0.332 0.000 1.160 948 P CA 1.057 63.959 63.100 -0.329 0.000 0.777 948 P CB -0.117 31.337 31.700 -0.409 0.000 0.814 949 H N 0.454 119.427 119.070 -0.160 0.000 2.607 949 H HA 0.392 4.947 4.556 -0.000 0.000 0.367 949 H C 0.253 175.291 175.328 -0.484 0.000 1.181 949 H CA 0.373 56.183 56.048 -0.397 0.000 1.402 949 H CB 0.910 30.189 29.762 -0.804 0.000 1.474 949 H HN 0.134 nan 8.280 nan 0.000 0.596 950 Q N 1.760 121.246 119.800 -0.524 0.000 2.281 950 Q HA 0.173 4.513 4.340 -0.000 0.000 0.263 950 Q C -1.769 173.989 176.000 -0.403 0.000 0.989 950 Q CA -0.563 55.070 55.803 -0.282 0.000 0.852 950 Q CB 1.946 30.654 28.738 -0.050 0.000 1.337 950 Q HN 0.594 nan 8.270 nan 0.000 0.418 951 W N 3.969 125.238 121.300 -0.053 0.000 2.587 951 W HA 0.580 5.240 4.660 -0.000 0.000 0.324 951 W C -0.116 176.481 176.519 0.130 0.000 1.040 951 W CA -0.678 56.592 57.345 -0.126 0.000 1.222 951 W CB 1.935 31.110 29.460 -0.476 0.000 1.381 951 W HN 0.478 nan 8.180 nan 0.000 0.483 952 R N 0.766 121.488 120.500 0.370 0.000 2.750 952 R HA 0.781 5.120 4.340 -0.000 0.000 0.281 952 R C 0.219 176.768 176.300 0.416 0.000 0.972 952 R CA -0.460 55.873 56.100 0.388 0.000 0.912 952 R CB 2.395 32.839 30.300 0.241 0.000 1.187 952 R HN 0.753 nan 8.270 nan 0.000 0.464 953 G N 0.709 109.750 108.800 0.401 0.000 2.553 953 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.106 953 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.106 953 G C -1.647 173.382 174.900 0.215 0.000 1.126 953 G CA -0.324 44.981 45.100 0.341 0.000 1.075 953 G HN 0.511 nan 8.290 nan 0.000 0.472 954 D N 0.027 120.553 120.400 0.210 0.000 2.823 954 D HA 0.534 5.174 4.640 -0.000 0.000 0.255 954 D C -0.470 175.835 176.300 0.009 0.000 1.257 954 D CA -0.487 53.533 54.000 0.033 0.000 0.803 954 D CB -0.128 40.715 40.800 0.073 0.000 1.384 954 D HN 0.500 nan 8.370 nan 0.000 0.541 955 F N -0.652 119.308 119.950 0.017 0.000 2.712 955 F HA 0.792 5.318 4.527 -0.000 0.000 0.367 955 F C -0.551 175.230 175.800 -0.032 0.000 1.132 955 F CA -0.922 57.038 58.000 -0.067 0.000 1.066 955 F CB 0.730 39.690 39.000 -0.066 0.000 1.416 955 F HN -0.207 nan 8.300 nan 0.000 0.515 956 Q N 1.211 121.115 119.800 0.174 0.000 2.351 956 Q HA 0.645 4.985 4.340 -0.000 0.000 0.273 956 Q C -1.268 174.859 176.000 0.212 0.000 1.077 956 Q CA -0.578 55.239 55.803 0.023 0.000 0.843 956 Q CB 2.702 31.346 28.738 -0.156 0.000 1.367 956 Q HN 0.883 nan 8.270 nan 0.000 0.449 957 F N -1.404 118.440 119.950 -0.177 0.000 2.719 957 F HA 0.685 5.212 4.527 -0.000 0.000 0.309 957 F C -1.928 173.655 175.800 -0.362 0.000 1.138 957 F CA -1.118 56.736 58.000 -0.242 0.000 0.943 957 F CB 1.382 40.274 39.000 -0.180 0.000 1.304 957 F HN 0.579 nan 8.300 nan 0.000 0.445 958 N N 1.917 120.448 118.700 -0.280 0.000 2.287 958 N HA 0.638 5.377 4.740 -0.000 0.000 0.289 958 N C -2.235 173.209 175.510 -0.110 0.000 1.066 958 N CA -0.675 52.173 53.050 -0.337 0.000 0.841 958 N CB 2.479 40.788 38.487 -0.295 0.000 1.599 958 N HN 1.110 nan 8.380 nan 0.000 0.476 959 I N 1.445 121.952 120.570 -0.105 0.000 2.512 959 I HA 0.703 4.873 4.170 -0.000 0.000 0.287 959 I C -1.114 174.923 176.117 -0.134 0.000 1.069 959 I CA -0.046 61.164 61.300 -0.149 0.000 1.056 959 I CB 1.136 38.971 38.000 -0.276 0.000 1.229 959 I HN 0.992 nan 8.210 nan 0.000 0.429 960 S N 6.527 122.179 115.700 -0.081 0.000 2.757 960 S HA 0.553 5.023 4.470 -0.000 0.000 0.285 960 S C -0.038 174.497 174.600 -0.108 0.000 1.196 960 S CA -0.946 57.211 58.200 -0.073 0.000 0.856 960 S CB 1.710 64.938 63.200 0.046 0.000 1.212 960 S HN 0.594 nan 8.310 nan 0.000 0.516 961 R N -0.193 120.099 120.500 -0.348 0.000 2.388 961 R HA 0.288 4.628 4.340 -0.000 0.000 0.247 961 R C -1.037 174.940 176.300 -0.539 0.000 0.931 961 R CA 0.240 56.071 56.100 -0.448 0.000 1.082 961 R CB -0.852 29.073 30.300 -0.624 0.000 1.135 961 R HN 0.621 nan 8.270 nan 0.000 0.525 962 Y N 0.021 120.301 120.300 -0.033 0.000 2.376 962 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 962 Y C 0.641 176.351 175.900 -0.317 0.000 0.965 962 Y CA -1.270 56.739 58.100 -0.153 0.000 1.078 962 Y CB 1.439 39.757 38.460 -0.236 0.000 1.193 962 Y HN -0.104 nan 8.280 nan 0.000 0.452 963 S N 1.753 117.157 115.700 -0.494 0.000 2.592 963 S HA 0.097 4.566 4.470 -0.000 0.000 0.271 963 S C 0.876 175.134 174.600 -0.569 0.000 1.326 963 S CA -0.809 56.701 58.200 -1.149 0.000 1.024 963 S CB 1.296 63.656 63.200 -1.400 0.000 0.921 963 S HN 0.701 nan 8.310 nan 0.000 0.527 964 Q N 1.072 120.543 119.800 -0.548 0.000 2.152 964 Q HA -0.245 4.094 4.340 -0.000 0.000 0.206 964 Q C 2.203 178.063 176.000 -0.233 0.000 0.985 964 Q CA 2.171 57.798 55.803 -0.294 0.000 0.863 964 Q CB -0.573 28.018 28.738 -0.246 0.000 0.904 964 Q HN 1.004 nan 8.270 nan 0.000 0.422 965 Q N 0.632 120.263 119.800 -0.282 0.000 2.020 965 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 965 Q C 2.170 178.087 176.000 -0.139 0.000 0.982 965 Q CA 1.859 57.558 55.803 -0.172 0.000 0.838 965 Q CB -0.115 28.531 28.738 -0.153 0.000 0.899 965 Q HN 0.423 nan 8.270 nan 0.000 0.423 966 Q N 0.099 119.804 119.800 -0.159 0.000 2.061 966 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 966 Q C 2.211 178.141 176.000 -0.117 0.000 0.984 966 Q CA 1.814 57.559 55.803 -0.098 0.000 0.846 966 Q CB -0.218 28.465 28.738 -0.091 0.000 0.902 966 Q HN 0.555 nan 8.270 nan 0.000 0.421 967 L N 0.418 121.550 121.223 -0.153 0.000 2.043 967 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 967 L C 2.703 179.463 176.870 -0.184 0.000 1.075 967 L CA 1.746 56.481 54.840 -0.175 0.000 0.752 967 L CB -0.504 41.464 42.059 -0.151 0.000 0.891 967 L HN 0.533 nan 8.230 nan 0.000 0.432 968 M N -2.189 117.327 119.600 -0.140 0.000 2.595 968 M HA -0.011 4.469 4.480 -0.000 0.000 0.248 968 M C 1.278 177.529 176.300 -0.081 0.000 1.119 968 M CA 1.370 56.599 55.300 -0.120 0.000 1.079 968 M CB -0.101 32.432 32.600 -0.112 0.000 1.472 968 M HN 0.096 nan 8.290 nan 0.000 0.501 969 E N 0.799 120.957 120.200 -0.070 0.000 2.460 969 E HA 0.127 4.477 4.350 -0.000 0.000 0.200 969 E C -0.240 176.358 176.600 -0.004 0.000 1.011 969 E CA 0.132 56.517 56.400 -0.024 0.000 0.912 969 E CB 0.667 30.356 29.700 -0.018 0.000 0.953 969 E HN 0.396 nan 8.360 nan 0.000 0.494 970 T N 0.571 115.099 114.554 -0.043 0.000 2.837 970 T HA 0.114 4.464 4.350 -0.000 0.000 0.285 970 T C 1.150 175.854 174.700 0.008 0.000 0.984 970 T CA -0.355 61.730 62.100 -0.024 0.000 1.049 970 T CB 1.664 70.487 68.868 -0.077 0.000 0.947 970 T HN 0.034 nan 8.240 nan 0.000 0.472 971 S N 1.566 117.371 115.700 0.175 0.000 2.470 971 S HA 0.100 4.570 4.470 -0.000 0.000 0.222 971 S C 0.247 175.089 174.600 0.403 0.000 1.024 971 S CA 0.122 58.562 58.200 0.400 0.000 0.931 971 S CB -0.174 63.362 63.200 0.561 0.000 0.791 971 S HN 0.727 nan 8.310 nan 0.000 0.513 972 H N 0.928 120.095 119.070 0.162 0.000 2.637 972 H HA 0.535 5.091 4.556 -0.000 0.000 0.363 972 H C 0.935 176.328 175.328 0.108 0.000 1.131 972 H CA -0.856 55.337 56.048 0.242 0.000 1.183 972 H CB 1.390 31.352 29.762 0.332 0.000 1.637 972 H HN 0.172 nan 8.280 nan 0.000 0.531 973 R N 1.491 122.149 120.500 0.264 0.000 2.200 973 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 973 R C 0.888 177.254 176.300 0.110 0.000 1.127 973 R CA 1.766 57.942 56.100 0.126 0.000 0.989 973 R CB -0.360 30.026 30.300 0.144 0.000 0.869 973 R HN 0.742 nan 8.270 nan 0.000 0.459 974 H N 0.675 119.772 119.070 0.045 0.000 2.547 974 H HA 0.121 4.677 4.556 -0.000 0.000 0.266 974 H C 1.168 176.438 175.328 -0.096 0.000 0.988 974 H CA 0.277 56.308 56.048 -0.027 0.000 1.147 974 H CB 0.074 29.813 29.762 -0.039 0.000 1.365 974 H HN 0.301 nan 8.280 nan 0.000 0.589 975 L N 1.078 122.011 121.223 -0.484 0.000 2.667 975 L HA 0.286 4.625 4.340 -0.000 0.000 0.232 975 L C 0.261 177.045 176.870 -0.143 0.000 1.138 975 L CA -0.105 54.483 54.840 -0.420 0.000 0.921 975 L CB 0.299 42.087 42.059 -0.452 0.000 1.180 975 L HN 0.052 nan 8.230 nan 0.000 0.487 976 L N 1.805 122.961 121.223 -0.111 0.000 2.331 976 L HA 0.223 4.563 4.340 -0.000 0.000 0.278 976 L C 0.095 177.057 176.870 0.153 0.000 1.106 976 L CA -0.326 54.473 54.840 -0.068 0.000 0.824 976 L CB 0.536 42.325 42.059 -0.450 0.000 1.142 976 L HN 0.191 nan 8.230 nan 0.000 0.443 977 H N 2.543 121.691 119.070 0.130 0.000 2.495 977 H HA 0.608 5.164 4.556 -0.000 0.000 0.348 977 H C -0.529 174.879 175.328 0.132 0.000 1.113 977 H CA -1.168 54.949 56.048 0.115 0.000 1.195 977 H CB 1.257 31.037 29.762 0.031 0.000 1.521 977 H HN 0.654 nan 8.280 nan 0.000 0.509 978 A N 3.386 126.185 122.820 -0.034 0.000 2.520 978 A HA 0.148 4.468 4.320 -0.000 0.000 0.235 978 A C 0.216 177.677 177.584 -0.204 0.000 1.065 978 A CA -0.097 51.761 52.037 -0.298 0.000 0.764 978 A CB 0.072 18.939 19.000 -0.221 0.000 1.002 978 A HN 0.877 nan 8.150 nan 0.000 0.502 979 E N 0.437 120.506 120.200 -0.219 0.000 2.264 979 E HA 0.293 4.643 4.350 -0.000 0.000 0.260 979 E C -0.722 175.835 176.600 -0.072 0.000 0.961 979 E CA -0.819 55.534 56.400 -0.078 0.000 0.834 979 E CB 1.081 30.808 29.700 0.046 0.000 1.230 979 E HN 0.757 nan 8.360 nan 0.000 0.412 980 E N 0.700 120.870 120.200 -0.049 0.000 2.415 980 E HA 0.206 4.555 4.350 -0.000 0.000 0.263 980 E C 0.358 176.865 176.600 -0.156 0.000 0.995 980 E CA 0.623 56.974 56.400 -0.081 0.000 0.915 980 E CB 0.456 30.115 29.700 -0.068 0.000 0.951 980 E HN 0.719 nan 8.360 nan 0.000 0.449 981 G N 3.071 111.797 108.800 -0.122 0.000 2.645 981 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 981 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 981 G C -0.501 174.320 174.900 -0.132 0.000 1.331 981 G CA -0.302 44.721 45.100 -0.128 0.000 0.890 981 G HN 0.525 nan 8.290 nan 0.000 0.572 982 T N 0.285 114.775 114.554 -0.107 0.000 2.840 982 T HA 0.494 4.844 4.350 -0.000 0.000 0.287 982 T C -0.551 174.061 174.700 -0.147 0.000 0.991 982 T CA -0.154 61.906 62.100 -0.065 0.000 0.964 982 T CB 1.257 70.201 68.868 0.127 0.000 0.954 982 T HN 0.557 nan 8.240 nan 0.000 0.438 983 W N 3.146 124.371 121.300 -0.125 0.000 2.304 983 W HA 0.522 5.182 4.660 -0.000 0.000 0.313 983 W C -0.113 176.290 176.519 -0.193 0.000 1.323 983 W CA -0.662 56.603 57.345 -0.135 0.000 1.223 983 W CB 0.544 29.929 29.460 -0.125 0.000 1.237 983 W HN 0.372 nan 8.180 nan 0.000 0.535 984 L N 5.800 127.048 121.223 0.042 0.000 2.305 984 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 984 L C -0.859 175.915 176.870 -0.159 0.000 1.013 984 L CA -0.384 54.343 54.840 -0.188 0.000 0.819 984 L CB 0.741 42.540 42.059 -0.434 0.000 1.227 984 L HN 0.313 nan 8.230 nan 0.000 0.417 985 N N 6.833 125.422 118.700 -0.186 0.000 2.518 985 N HA 0.422 5.162 4.740 -0.000 0.000 0.254 985 N C -1.122 174.252 175.510 -0.228 0.000 0.979 985 N CA -0.171 52.770 53.050 -0.181 0.000 0.930 985 N CB 1.929 40.334 38.487 -0.137 0.000 1.152 985 N HN 0.557 nan 8.380 nan 0.000 0.505 986 I N 2.063 122.451 120.570 -0.304 0.000 2.328 986 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 986 I C -0.426 175.536 176.117 -0.257 0.000 1.012 986 I CA -0.574 60.521 61.300 -0.342 0.000 1.195 986 I CB 1.025 38.645 38.000 -0.633 0.000 1.350 986 I HN 0.140 nan 8.210 nan 0.000 0.464 987 D N 4.901 125.194 120.400 -0.177 0.000 2.168 987 D HA 0.243 4.882 4.640 -0.000 0.000 0.246 987 D C 0.918 177.005 176.300 -0.356 0.000 1.050 987 D CA -0.216 53.630 54.000 -0.256 0.000 0.857 987 D CB 2.450 43.185 40.800 -0.108 0.000 1.169 987 D HN 0.674 nan 8.370 nan 0.000 0.453 988 G N 0.886 109.237 108.800 -0.749 0.000 2.539 988 G HA2 0.076 4.035 3.960 -0.000 0.000 0.215 988 G HA3 0.076 4.035 3.960 -0.000 0.000 0.215 988 G C 0.018 174.180 174.900 -1.231 0.000 1.141 988 G CA 0.256 44.760 45.100 -0.993 0.000 0.806 988 G HN 0.360 nan 8.290 nan 0.000 0.533 989 F N -1.521 118.270 119.950 -0.266 0.000 2.615 989 F HA 0.509 5.036 4.527 -0.000 0.000 0.312 989 F C -0.774 174.945 175.800 -0.134 0.000 1.119 989 F CA -1.255 56.666 58.000 -0.132 0.000 0.979 989 F CB 1.845 40.738 39.000 -0.177 0.000 1.266 989 F HN -0.003 nan 8.300 nan 0.000 0.444 990 H N 2.614 121.702 119.070 0.030 0.000 2.667 990 H HA 0.540 5.096 4.556 -0.000 0.000 0.353 990 H C -0.579 174.790 175.328 0.068 0.000 1.072 990 H CA -0.796 55.250 56.048 -0.003 0.000 1.214 990 H CB 1.700 31.445 29.762 -0.029 0.000 1.600 990 H HN 0.780 nan 8.280 nan 0.000 0.527 991 M N 3.431 122.975 119.600 -0.093 0.000 2.250 991 M HA 0.229 4.708 4.480 -0.000 0.000 0.325 991 M C 0.469 176.882 176.300 0.190 0.000 1.084 991 M CA 0.331 55.647 55.300 0.026 0.000 1.161 991 M CB 0.294 32.819 32.600 -0.126 0.000 1.481 991 M HN 0.858 nan 8.290 nan 0.000 0.449 992 G N 2.785 111.687 108.800 0.169 0.000 2.636 992 G HA2 0.313 4.272 3.960 -0.000 0.000 0.246 992 G HA3 0.313 4.272 3.960 -0.000 0.000 0.246 992 G C 0.644 175.537 174.900 -0.011 0.000 1.216 992 G CA -0.477 44.673 45.100 0.083 0.000 0.854 992 G HN 0.972 nan 8.290 nan 0.000 0.572 993 I N -0.947 119.568 120.570 -0.092 0.000 3.030 993 I HA 0.369 4.538 4.170 -0.000 0.000 0.270 993 I C 1.287 177.333 176.117 -0.118 0.000 1.211 993 I CA 0.475 61.676 61.300 -0.164 0.000 1.479 993 I CB -0.666 37.130 38.000 -0.339 0.000 1.105 993 I HN 0.916 nan 8.210 nan 0.000 0.447 994 G N 1.248 109.987 108.800 -0.101 0.000 2.697 994 G HA2 0.054 4.014 3.960 -0.000 0.000 0.240 994 G HA3 0.054 4.014 3.960 -0.000 0.000 0.240 994 G C 0.491 175.372 174.900 -0.032 0.000 1.346 994 G CA 0.022 45.096 45.100 -0.044 0.000 0.887 994 G HN 1.367 nan 8.290 nan 0.000 0.569 995 G N -2.242 106.559 108.800 0.001 0.000 2.834 995 G HA2 0.036 3.996 3.960 -0.000 0.000 0.217 995 G HA3 0.036 3.996 3.960 -0.000 0.000 0.217 995 G C 0.591 175.534 174.900 0.070 0.000 0.974 995 G CA 1.078 46.188 45.100 0.015 0.000 0.826 995 G HN 0.862 nan 8.290 nan 0.000 0.584 996 D N 1.192 121.648 120.400 0.094 0.000 2.271 996 D HA 0.061 4.700 4.640 -0.000 0.000 0.207 996 D C 0.754 177.089 176.300 0.059 0.000 0.983 996 D CA 2.099 56.216 54.000 0.195 0.000 0.878 996 D CB 0.239 41.153 40.800 0.190 0.000 0.920 996 D HN 0.797 nan 8.370 nan 0.000 0.479 997 D N -3.514 116.720 120.400 -0.276 0.000 2.728 997 D HA 0.124 4.764 4.640 -0.000 0.000 0.249 997 D C -0.956 174.799 176.300 -0.909 0.000 1.225 997 D CA -0.668 52.728 54.000 -1.007 0.000 0.748 997 D CB 0.645 40.515 40.800 -1.550 0.000 1.326 997 D HN -0.326 nan 8.370 nan 0.000 0.426 998 S N 0.404 115.432 115.700 -1.121 0.000 2.537 998 S HA 0.264 4.734 4.470 -0.000 0.000 0.246 998 S C -0.479 174.170 174.600 0.081 0.000 1.036 998 S CA -0.623 57.409 58.200 -0.280 0.000 1.041 998 S CB -0.648 62.593 63.200 0.067 0.000 0.799 998 S HN 0.584 nan 8.310 nan 0.000 0.456 999 W N 0.904 122.157 121.300 -0.078 0.000 2.007 999 W HA 0.576 5.235 4.660 -0.000 0.000 0.301 999 W C -0.067 176.409 176.519 -0.072 0.000 0.887 999 W CA -0.629 56.672 57.345 -0.074 0.000 1.625 999 W CB -0.545 28.796 29.460 -0.198 0.000 1.078 999 W HN 0.185 nan 8.180 nan 0.000 0.502 1000 S N -1.369 114.257 115.700 -0.124 0.000 2.558 1000 S HA 0.464 4.934 4.470 -0.000 0.000 0.277 1000 S C -3.168 171.377 174.600 -0.093 0.000 1.143 1000 S CA -1.341 56.808 58.200 -0.084 0.000 0.865 1000 S CB 1.246 64.414 63.200 -0.053 0.000 1.102 1000 S HN -0.200 nan 8.310 nan 0.000 0.454 1001 P HA 0.076 nan 4.420 nan 0.000 0.257 1001 P C 0.383 177.713 177.300 0.050 0.000 1.162 1001 P CA 0.422 63.513 63.100 -0.014 0.000 0.762 1001 P CB 0.302 31.870 31.700 -0.220 0.000 0.753 1002 S N 0.827 116.599 115.700 0.121 0.000 2.846 1002 S HA 0.178 4.648 4.470 -0.000 0.000 0.249 1002 S C 0.104 174.773 174.600 0.115 0.000 1.028 1002 S CA -0.407 57.833 58.200 0.067 0.000 1.043 1002 S CB -0.221 62.963 63.200 -0.028 0.000 0.990 1002 S HN 0.115 nan 8.310 nan 0.000 0.564 1003 V N 2.668 122.709 119.914 0.212 0.000 2.385 1003 V HA 0.413 4.533 4.120 -0.000 0.000 0.269 1003 V C 0.728 176.958 176.094 0.228 0.000 1.043 1003 V CA -0.404 62.001 62.300 0.175 0.000 0.906 1003 V CB 1.095 32.982 31.823 0.106 0.000 0.995 1003 V HN 0.531 nan 8.190 nan 0.000 0.467 1004 S N 4.132 119.963 115.700 0.217 0.000 2.558 1004 S HA 0.207 4.676 4.470 -0.000 0.000 0.288 1004 S C 1.577 176.339 174.600 0.269 0.000 1.318 1004 S CA 0.150 58.499 58.200 0.248 0.000 1.056 1004 S CB 0.974 64.365 63.200 0.317 0.000 0.853 1004 S HN 1.004 nan 8.310 nan 0.000 0.505 1005 A N 4.257 127.187 122.820 0.183 0.000 1.903 1005 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 1005 A C 2.024 179.654 177.584 0.076 0.000 1.191 1005 A CA 1.945 54.063 52.037 0.136 0.000 0.638 1005 A CB -0.747 18.306 19.000 0.088 0.000 0.823 1005 A HN 0.985 nan 8.150 nan 0.000 0.451 1006 E N -1.050 119.160 120.200 0.017 0.000 2.463 1006 E HA -0.151 4.199 4.350 -0.000 0.000 0.201 1006 E C 0.428 176.842 176.600 -0.310 0.000 1.045 1006 E CA 0.822 57.122 56.400 -0.167 0.000 0.872 1006 E CB -0.400 29.130 29.700 -0.283 0.000 0.797 1006 E HN 0.640 nan 8.360 nan 0.000 0.538 1007 F N 0.985 120.975 119.950 0.066 0.000 2.668 1007 F HA 0.310 4.837 4.527 -0.000 0.000 0.301 1007 F C 0.453 176.281 175.800 0.047 0.000 1.106 1007 F CA -0.380 57.664 58.000 0.072 0.000 1.289 1007 F CB 0.624 39.669 39.000 0.075 0.000 1.006 1007 F HN -0.176 nan 8.300 nan 0.000 0.535 1008 Q N 1.201 121.086 119.800 0.141 0.000 2.325 1008 Q HA 0.403 4.743 4.340 -0.000 0.000 0.262 1008 Q C -0.220 175.782 176.000 0.004 0.000 0.968 1008 Q CA -0.532 55.313 55.803 0.069 0.000 0.877 1008 Q CB 1.918 30.720 28.738 0.107 0.000 1.253 1008 Q HN 0.235 nan 8.270 nan 0.000 0.448 1009 L N 2.791 124.030 121.223 0.027 0.000 2.583 1009 L HA -0.025 4.314 4.340 -0.000 0.000 0.280 1009 L C 0.813 177.731 176.870 0.079 0.000 1.261 1009 L CA 0.203 55.061 54.840 0.030 0.000 1.164 1009 L CB -0.646 41.297 42.059 -0.194 0.000 1.402 1009 L HN 0.714 nan 8.230 nan 0.000 0.443 1010 S N -0.672 115.036 115.700 0.013 0.000 2.603 1010 S HA 0.133 4.603 4.470 -0.000 0.000 0.232 1010 S C 1.789 176.433 174.600 0.074 0.000 1.016 1010 S CA 0.187 58.304 58.200 -0.138 0.000 0.976 1010 S CB 0.663 63.475 63.200 -0.647 0.000 0.921 1010 S HN 0.522 nan 8.310 nan 0.000 0.516 1011 A N 1.800 124.656 122.820 0.060 0.000 2.093 1011 A HA 0.301 4.620 4.320 -0.000 0.000 0.222 1011 A C 2.206 179.709 177.584 -0.135 0.000 1.162 1011 A CA 1.868 53.770 52.037 -0.224 0.000 0.655 1011 A CB -1.465 17.063 19.000 -0.786 0.000 0.805 1011 A HN 1.604 nan 8.150 nan 0.000 0.461 1012 G N -1.684 107.177 108.800 0.102 0.000 2.640 1012 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.226 1012 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.226 1012 G C 0.483 175.452 174.900 0.116 0.000 1.222 1012 G CA 0.451 45.625 45.100 0.124 0.000 0.729 1012 G HN 0.711 nan 8.290 nan 0.000 0.516 1013 R N -0.038 120.423 120.500 -0.064 0.000 2.439 1013 R HA 0.658 4.997 4.340 -0.000 0.000 0.310 1013 R C -1.360 174.802 176.300 -0.230 0.000 0.955 1013 R CA -0.529 55.558 56.100 -0.022 0.000 0.853 1013 R CB 1.240 31.526 30.300 -0.024 0.000 1.171 1013 R HN 0.275 nan 8.270 nan 0.000 0.449 1014 Y N 0.308 120.589 120.300 -0.032 0.000 2.562 1014 Y HA 0.412 4.962 4.550 -0.000 0.000 0.343 1014 Y C -0.268 175.758 175.900 0.209 0.000 1.025 1014 Y CA -0.813 57.209 58.100 -0.130 0.000 1.082 1014 Y CB 2.046 40.220 38.460 -0.477 0.000 1.264 1014 Y HN 0.557 nan 8.280 nan 0.000 0.478 1015 H N 1.554 120.877 119.070 0.422 0.000 3.042 1015 H HA 0.518 5.074 4.556 -0.000 0.000 0.345 1015 H C -1.999 173.730 175.328 0.668 0.000 1.052 1015 H CA -0.787 55.531 56.048 0.450 0.000 1.311 1015 H CB 0.908 30.808 29.762 0.231 0.000 1.810 1015 H HN 0.521 nan 8.280 nan 0.000 0.505 1016 Y N 1.885 122.120 120.300 -0.108 0.000 2.562 1016 Y HA 0.489 5.039 4.550 -0.000 0.000 0.345 1016 Y C -1.761 174.003 175.900 -0.227 0.000 1.045 1016 Y CA -1.233 56.831 58.100 -0.058 0.000 1.028 1016 Y CB 1.430 39.919 38.460 0.048 0.000 1.297 1016 Y HN 0.691 nan 8.280 nan 0.000 0.463 1017 Q N 3.108 122.892 119.800 -0.027 0.000 2.323 1017 Q HA 0.764 5.104 4.340 -0.000 0.000 0.271 1017 Q C -1.886 174.171 176.000 0.095 0.000 1.048 1017 Q CA -0.927 54.840 55.803 -0.060 0.000 0.792 1017 Q CB 3.097 31.835 28.738 -0.000 0.000 1.280 1017 Q HN 0.837 nan 8.270 nan 0.000 0.441 1018 L N 1.509 122.772 121.223 0.066 0.000 2.341 1018 L HA 0.719 5.059 4.340 -0.000 0.000 0.267 1018 L C -0.873 176.093 176.870 0.161 0.000 1.009 1018 L CA -1.343 53.579 54.840 0.136 0.000 0.819 1018 L CB 2.559 44.676 42.059 0.096 0.000 1.323 1018 L HN 0.460 nan 8.230 nan 0.000 0.425 1019 V N 1.194 121.232 119.914 0.207 0.000 2.380 1019 V HA 0.298 4.418 4.120 -0.000 0.000 0.286 1019 V C -1.046 175.209 176.094 0.268 0.000 1.015 1019 V CA -0.457 61.974 62.300 0.218 0.000 0.834 1019 V CB 1.737 33.666 31.823 0.176 0.000 1.009 1019 V HN 0.555 nan 8.190 nan 0.000 0.428 1020 W N 6.690 128.059 121.300 0.114 0.000 2.417 1020 W HA 0.711 5.371 4.660 -0.000 0.000 0.317 1020 W C -0.037 176.504 176.519 0.037 0.000 1.121 1020 W CA -0.827 56.533 57.345 0.024 0.000 1.208 1020 W CB 1.490 31.027 29.460 0.129 0.000 1.253 1020 W HN 0.856 nan 8.180 nan 0.000 0.533 1021 C N 3.250 122.836 119.300 0.478 0.000 3.249 1021 C HA 0.499 4.959 4.460 -0.000 0.000 0.350 1021 C C -0.925 174.167 174.990 0.171 0.000 1.431 1021 C CA -0.945 58.242 59.018 0.282 0.000 1.209 1021 C CB 1.424 29.274 27.740 0.184 0.000 1.546 1021 C HN 0.710 nan 8.230 nan 0.000 0.450 1022 Q N 1.700 121.554 119.800 0.090 0.000 2.314 1022 Q HA 0.505 4.845 4.340 -0.000 0.000 0.259 1022 Q C 0.070 176.066 176.000 -0.008 0.000 0.951 1022 Q CA -0.295 55.506 55.803 -0.004 0.000 0.909 1022 Q CB 1.114 29.829 28.738 -0.038 0.000 1.236 1022 Q HN 0.791 nan 8.270 nan 0.000 0.444 1023 K N 0.000 120.378 120.400 -0.036 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1023 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543