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 1px4_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP 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 IAVSEATRID 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 0.000 176.057 176.300 -0.404 0.000 0.893 13 R CA 0.000 55.949 56.100 -0.252 0.000 0.921 13 R CB 0.000 30.155 30.300 -0.241 0.000 0.687 14 R N 1.586 121.755 120.500 -0.552 0.000 3.570 14 R HA 0.130 4.478 4.340 0.013 0.000 0.233 14 R C -0.034 175.718 176.300 -0.914 0.000 1.492 14 R CA -0.341 55.063 56.100 -1.160 0.000 1.504 14 R CB 0.254 30.000 30.300 -0.924 0.000 1.314 14 R HN 0.471 nan 8.270 nan 0.000 0.687 15 D N 1.053 121.092 120.400 -0.602 0.000 2.311 15 D HA -0.192 4.456 4.640 0.013 0.000 0.212 15 D C 1.334 177.525 176.300 -0.182 0.000 0.972 15 D CA 1.120 54.868 54.000 -0.421 0.000 0.887 15 D CB 0.136 40.535 40.800 -0.668 0.000 0.915 15 D HN 0.653 nan 8.370 nan 0.000 0.497 16 W N 1.195 122.498 121.300 0.004 0.000 3.077 16 W HA 0.188 4.856 4.660 0.013 0.000 0.245 16 W C 0.481 177.083 176.519 0.139 0.000 1.316 16 W CA -0.229 57.223 57.345 0.179 0.000 1.537 16 W CB -0.188 29.431 29.460 0.266 0.000 1.131 16 W HN -0.192 nan 8.180 nan 0.000 0.695 17 E N 1.072 121.153 120.200 -0.198 0.000 3.306 17 E HA 0.055 4.413 4.350 0.013 0.000 0.197 17 E C -0.795 175.652 176.600 -0.256 0.000 0.980 17 E CA -0.224 56.079 56.400 -0.162 0.000 1.259 17 E CB -0.162 29.428 29.700 -0.184 0.000 1.112 17 E HN 0.020 nan 8.360 nan 0.000 0.458 18 N N 0.966 119.551 118.700 -0.192 0.000 2.571 18 N HA 0.157 4.905 4.740 0.013 0.000 0.286 18 N C -2.426 172.947 175.510 -0.229 0.000 1.138 18 N CA -1.974 50.930 53.050 -0.244 0.000 0.859 18 N CB 1.571 39.923 38.487 -0.225 0.000 1.414 18 N HN -0.193 nan 8.380 nan 0.000 0.529 19 P HA 0.102 nan 4.420 nan 0.000 0.230 19 P C 1.076 178.141 177.300 -0.392 0.000 1.158 19 P CA 0.591 63.372 63.100 -0.532 0.000 0.769 19 P CB 0.184 31.130 31.700 -1.255 0.000 0.807 20 G N -0.414 108.200 108.800 -0.310 0.000 2.623 20 G HA2 0.027 3.995 3.960 0.013 0.000 0.214 20 G HA3 0.027 3.995 3.960 0.013 0.000 0.214 20 G C 0.318 175.140 174.900 -0.131 0.000 1.138 20 G CA 0.179 45.148 45.100 -0.217 0.000 0.794 20 G HN 0.196 nan 8.290 nan 0.000 0.535 21 V N 2.038 121.890 119.914 -0.103 0.000 2.275 21 V HA 0.274 4.402 4.120 0.013 0.000 0.272 21 V C 0.958 177.102 176.094 0.082 0.000 1.028 21 V CA 0.202 62.489 62.300 -0.021 0.000 0.810 21 V CB 0.849 32.639 31.823 -0.054 0.000 1.043 21 V HN 0.330 nan 8.190 nan 0.000 0.453 22 T N 0.673 115.273 114.554 0.076 0.000 3.040 22 T HA 0.352 4.710 4.350 0.013 0.000 0.250 22 T C 0.305 175.066 174.700 0.102 0.000 1.058 22 T CA 0.059 62.216 62.100 0.096 0.000 0.988 22 T CB 0.232 69.108 68.868 0.014 0.000 0.993 22 T HN 0.694 nan 8.240 nan 0.000 0.519 23 Q N 0.173 120.077 119.800 0.173 0.000 2.776 23 Q HA 0.682 5.029 4.340 0.013 0.000 0.289 23 Q C -2.220 173.926 176.000 0.244 0.000 0.912 23 Q CA -1.067 54.835 55.803 0.165 0.000 0.789 23 Q CB 0.907 29.655 28.738 0.017 0.000 1.498 23 Q HN 0.212 nan 8.270 nan 0.000 0.408 24 L N 1.601 122.999 121.223 0.292 0.000 2.470 24 L HA 0.614 4.962 4.340 0.013 0.000 0.268 24 L C -0.625 176.385 176.870 0.233 0.000 0.964 24 L CA -0.882 54.128 54.840 0.282 0.000 0.839 24 L CB 1.938 44.274 42.059 0.462 0.000 1.276 24 L HN 0.835 nan 8.230 nan 0.000 0.403 25 N N 0.851 119.650 118.700 0.165 0.000 2.800 25 N HA -0.201 4.547 4.740 0.013 0.000 0.250 25 N C 0.132 175.730 175.510 0.147 0.000 1.078 25 N CA 0.815 53.950 53.050 0.142 0.000 0.804 25 N CB -0.766 37.759 38.487 0.064 0.000 1.135 25 N HN 0.660 nan 8.380 nan 0.000 0.565 26 R N 0.911 121.419 120.500 0.013 0.000 2.441 26 R HA 0.409 4.757 4.340 0.013 0.000 0.284 26 R C 0.554 176.718 176.300 -0.227 0.000 1.070 26 R CA -0.391 55.505 56.100 -0.340 0.000 1.047 26 R CB 0.567 30.638 30.300 -0.382 0.000 1.016 26 R HN 0.118 nan 8.270 nan 0.000 0.477 27 L N 2.824 123.881 121.223 -0.276 0.000 2.472 27 L HA 0.287 4.635 4.340 0.013 0.000 0.260 27 L C 0.681 177.500 176.870 -0.084 0.000 1.209 27 L CA -0.521 54.250 54.840 -0.114 0.000 0.817 27 L CB 0.652 42.671 42.059 -0.066 0.000 1.106 27 L HN 0.757 nan 8.230 nan 0.000 0.479 28 A N 1.203 124.015 122.820 -0.014 0.000 2.483 28 A HA 0.490 4.817 4.320 0.013 0.000 0.238 28 A C 0.308 177.913 177.584 0.035 0.000 1.070 28 A CA 0.012 52.052 52.037 0.004 0.000 0.770 28 A CB 0.156 19.180 19.000 0.040 0.000 1.008 28 A HN 0.793 nan 8.150 nan 0.000 0.497 29 A N 1.329 124.120 122.820 -0.050 0.000 2.332 29 A HA 0.676 5.004 4.320 0.013 0.000 0.258 29 A C 0.124 177.630 177.584 -0.129 0.000 1.087 29 A CA 0.520 52.451 52.037 -0.176 0.000 0.802 29 A CB -0.062 18.824 19.000 -0.190 0.000 1.042 29 A HN 1.914 nan 8.150 nan 0.000 0.489 30 H N -2.240 116.674 119.070 -0.260 0.000 2.917 30 H HA 0.640 5.204 4.556 0.013 0.000 0.299 30 H C -3.390 171.650 175.328 -0.481 0.000 1.418 30 H CA -1.764 54.068 56.048 -0.361 0.000 1.138 30 H CB 0.174 29.623 29.762 -0.522 0.000 1.830 30 H HN 0.386 nan 8.280 nan 0.000 0.514 31 P HA 0.237 nan 4.420 nan 0.000 0.274 31 P C -2.605 174.502 177.300 -0.322 0.000 1.256 31 P CA -1.598 61.275 63.100 -0.378 0.000 0.795 31 P CB -0.291 31.118 31.700 -0.485 0.000 1.038 32 P HA 0.061 nan 4.420 nan 0.000 0.261 32 P C -0.736 176.755 177.300 0.318 0.000 1.183 32 P CA 1.143 64.268 63.100 0.042 0.000 0.761 32 P CB -0.121 31.653 31.700 0.123 0.000 0.785 33 F N 1.311 121.368 119.950 0.178 0.000 2.579 33 F HA 0.609 5.144 4.527 0.013 0.000 0.324 33 F C 0.933 176.667 175.800 -0.111 0.000 1.058 33 F CA -1.043 57.010 58.000 0.089 0.000 0.944 33 F CB 2.217 41.231 39.000 0.024 0.000 1.245 33 F HN 0.203 nan 8.300 nan 0.000 0.477 34 A N 0.341 123.087 122.820 -0.122 0.000 2.653 34 A HA 0.263 4.591 4.320 0.013 0.000 0.248 34 A C 0.553 177.851 177.584 -0.477 0.000 1.211 34 A CA 0.372 52.095 52.037 -0.523 0.000 0.991 34 A CB -0.042 18.088 19.000 -1.450 0.000 1.252 34 A HN 0.742 nan 8.150 nan 0.000 0.593 35 S N 0.291 115.828 115.700 -0.270 0.000 3.550 35 S HA -0.145 4.333 4.470 0.013 0.000 0.372 35 S C -0.060 174.486 174.600 -0.090 0.000 0.966 35 S CA 0.404 58.497 58.200 -0.179 0.000 1.229 35 S CB -1.529 61.553 63.200 -0.196 0.000 0.917 35 S HN 0.493 nan 8.310 nan 0.000 0.496 36 W N 1.615 122.904 121.300 -0.019 0.000 2.181 36 W HA 0.228 4.896 4.660 0.013 0.000 0.335 36 W C 1.271 177.782 176.519 -0.013 0.000 1.310 36 W CA -0.460 56.884 57.345 -0.001 0.000 1.226 36 W CB 0.296 29.751 29.460 -0.008 0.000 1.155 36 W HN 0.314 nan 8.180 nan 0.000 0.565 37 R N 2.177 122.827 120.500 0.249 0.000 2.546 37 R HA 0.082 4.430 4.340 0.013 0.000 0.320 37 R C -0.075 176.299 176.300 0.123 0.000 1.021 37 R CA -0.125 56.061 56.100 0.144 0.000 1.088 37 R CB -0.190 30.177 30.300 0.112 0.000 1.278 37 R HN 0.355 nan 8.270 nan 0.000 0.557 38 N N 0.006 118.792 118.700 0.142 0.000 2.430 38 N HA 0.117 4.865 4.740 0.013 0.000 0.290 38 N C -0.069 175.427 175.510 -0.022 0.000 1.063 38 N CA -0.018 53.066 53.050 0.056 0.000 0.883 38 N CB 1.818 40.341 38.487 0.060 0.000 1.465 38 N HN -0.256 nan 8.380 nan 0.000 0.493 39 S N 2.351 118.015 115.700 -0.060 0.000 2.399 39 S HA -0.160 4.318 4.470 0.013 0.000 0.231 39 S C 1.398 175.848 174.600 -0.251 0.000 1.022 39 S CA 1.148 59.269 58.200 -0.133 0.000 0.983 39 S CB 0.030 63.178 63.200 -0.087 0.000 0.803 39 S HN 0.753 nan 8.310 nan 0.000 0.480 40 E N 1.506 121.580 120.200 -0.211 0.000 2.106 40 E HA -0.120 4.238 4.350 0.013 0.000 0.192 40 E C 1.886 178.296 176.600 -0.317 0.000 0.984 40 E CA 1.051 57.288 56.400 -0.271 0.000 0.806 40 E CB -0.095 29.495 29.700 -0.183 0.000 0.750 40 E HN 0.255 nan 8.360 nan 0.000 0.458 41 E N 0.158 120.200 120.200 -0.263 0.000 2.106 41 E HA -0.113 4.245 4.350 0.013 0.000 0.192 41 E C 1.977 178.095 176.600 -0.804 0.000 0.984 41 E CA 1.061 57.290 56.400 -0.285 0.000 0.806 41 E CB -0.439 29.255 29.700 -0.010 0.000 0.750 41 E HN 0.383 nan 8.360 nan 0.000 0.458 42 A N 1.572 123.675 122.820 -1.195 0.000 1.902 42 A HA -0.195 4.133 4.320 0.013 0.000 0.217 42 A C 2.236 179.174 177.584 -1.077 0.000 1.181 42 A CA 1.633 52.500 52.037 -1.950 0.000 0.623 42 A CB -0.511 17.827 19.000 -1.105 0.000 0.818 42 A HN 0.144 nan 8.150 nan 0.000 0.443 43 R N -0.147 119.933 120.500 -0.700 0.000 2.096 43 R HA -0.158 4.190 4.340 0.013 0.000 0.240 43 R C 1.973 178.004 176.300 -0.448 0.000 1.139 43 R CA 2.201 57.946 56.100 -0.593 0.000 0.952 43 R CB -0.525 29.304 30.300 -0.786 0.000 0.854 43 R HN 0.625 nan 8.270 nan 0.000 0.436 44 T N -2.726 111.587 114.554 -0.401 0.000 3.129 44 T HA 0.051 4.409 4.350 0.013 0.000 0.251 44 T C 0.317 174.926 174.700 -0.151 0.000 1.117 44 T CA 0.564 62.521 62.100 -0.238 0.000 1.034 44 T CB 0.097 68.856 68.868 -0.181 0.000 0.968 44 T HN 0.380 nan 8.240 nan 0.000 0.526 45 D N 0.569 120.840 120.400 -0.216 0.000 3.041 45 D HA -0.159 4.489 4.640 0.013 0.000 0.220 45 D C 0.178 176.609 176.300 0.218 0.000 1.157 45 D CA 0.567 54.590 54.000 0.039 0.000 0.876 45 D CB -1.012 39.849 40.800 0.101 0.000 1.107 45 D HN 0.599 nan 8.370 nan 0.000 0.422 46 R N -0.031 120.574 120.500 0.175 0.000 2.649 46 R HA 0.494 4.841 4.340 0.013 0.000 0.270 46 R C -2.139 174.429 176.300 0.448 0.000 1.105 46 R CA -1.311 54.932 56.100 0.239 0.000 1.193 46 R CB 0.076 30.458 30.300 0.136 0.000 1.120 46 R HN 0.047 nan 8.270 nan 0.000 0.561 47 P HA -0.030 nan 4.420 nan 0.000 0.269 47 P C -0.809 176.634 177.300 0.239 0.000 1.209 47 P CA 0.228 63.461 63.100 0.221 0.000 0.776 47 P CB 0.739 32.519 31.700 0.134 0.000 0.876 48 S N 1.289 117.001 115.700 0.020 0.000 2.437 48 S HA 0.135 4.613 4.470 0.013 0.000 0.305 48 S C 0.895 175.507 174.600 0.019 0.000 1.109 48 S CA -0.475 57.670 58.200 -0.092 0.000 1.099 48 S CB 0.373 63.257 63.200 -0.527 0.000 1.004 48 S HN 0.312 nan 8.310 nan 0.000 0.475 49 Q N 2.233 122.091 119.800 0.096 0.000 2.437 49 Q HA -0.023 4.325 4.340 0.013 0.000 0.210 49 Q C 1.003 177.147 176.000 0.241 0.000 0.972 49 Q CA 0.738 56.625 55.803 0.141 0.000 0.903 49 Q CB 0.125 28.952 28.738 0.150 0.000 0.967 49 Q HN 0.683 nan 8.270 nan 0.000 0.486 50 Q N -0.132 119.774 119.800 0.177 0.000 2.403 50 Q HA 0.064 4.412 4.340 0.013 0.000 0.203 50 Q C -0.095 175.996 176.000 0.151 0.000 0.932 50 Q CA 0.268 56.205 55.803 0.223 0.000 0.945 50 Q CB 0.367 29.125 28.738 0.032 0.000 1.045 50 Q HN 0.141 nan 8.270 nan 0.000 0.511 51 L N 0.788 122.072 121.223 0.102 0.000 2.342 51 L HA 0.394 4.742 4.340 0.013 0.000 0.276 51 L C -1.071 175.860 176.870 0.101 0.000 0.997 51 L CA -0.223 54.653 54.840 0.060 0.000 0.838 51 L CB 1.192 43.206 42.059 -0.074 0.000 1.224 51 L HN -0.178 nan 8.230 nan 0.000 0.416 52 R N 2.558 123.146 120.500 0.147 0.000 2.637 52 R HA 0.586 4.934 4.340 0.013 0.000 0.291 52 R C -0.721 175.610 176.300 0.052 0.000 0.963 52 R CA -0.763 55.398 56.100 0.100 0.000 0.901 52 R CB 2.157 32.530 30.300 0.122 0.000 1.160 52 R HN 0.658 nan 8.270 nan 0.000 0.457 53 S N 2.325 118.046 115.700 0.036 0.000 2.513 53 S HA 0.251 4.729 4.470 0.013 0.000 0.276 53 S C 0.700 175.320 174.600 0.034 0.000 1.254 53 S CA -0.612 57.603 58.200 0.025 0.000 1.053 53 S CB 0.502 63.724 63.200 0.036 0.000 0.958 53 S HN 0.556 nan 8.310 nan 0.000 0.491 54 L N 3.676 124.923 121.223 0.040 0.000 2.700 54 L HA 0.271 4.619 4.340 0.013 0.000 0.234 54 L C 0.257 177.309 176.870 0.303 0.000 1.156 54 L CA -0.381 54.526 54.840 0.111 0.000 0.946 54 L CB -0.424 41.681 42.059 0.077 0.000 1.216 54 L HN 0.520 nan 8.230 nan 0.000 0.493 55 N N 1.275 120.084 118.700 0.181 0.000 2.416 55 N HA 0.434 5.182 4.740 0.013 0.000 0.246 55 N C 0.669 176.317 175.510 0.229 0.000 1.260 55 N CA 1.064 54.217 53.050 0.172 0.000 0.897 55 N CB 1.091 39.615 38.487 0.061 0.000 1.110 55 N HN 0.300 nan 8.380 nan 0.000 0.439 56 G N 0.360 109.309 108.800 0.247 0.000 2.247 56 G HA2 -0.082 3.886 3.960 0.013 0.000 0.229 56 G HA3 -0.082 3.886 3.960 0.013 0.000 0.229 56 G C -1.544 173.564 174.900 0.346 0.000 1.345 56 G CA -0.795 44.444 45.100 0.233 0.000 1.100 56 G HN 0.469 nan 8.290 nan 0.000 0.473 57 E N 0.082 120.454 120.200 0.288 0.000 2.194 57 E HA 0.463 4.821 4.350 0.013 0.000 0.284 57 E C -0.960 175.882 176.600 0.403 0.000 1.035 57 E CA -0.215 56.373 56.400 0.312 0.000 0.836 57 E CB 1.078 30.880 29.700 0.170 0.000 1.070 57 E HN 0.351 nan 8.360 nan 0.000 0.401 58 W N 1.663 123.058 121.300 0.159 0.000 2.804 58 W HA 0.406 5.074 4.660 0.013 0.000 0.352 58 W C 0.220 176.871 176.519 0.221 0.000 1.153 58 W CA -0.757 56.716 57.345 0.212 0.000 1.119 58 W CB 0.745 30.391 29.460 0.311 0.000 1.448 58 W HN 0.178 nan 8.180 nan 0.000 0.600 59 R N 1.430 122.216 120.500 0.475 0.000 2.474 59 R HA 0.606 4.954 4.340 0.013 0.000 0.295 59 R C -1.421 175.139 176.300 0.434 0.000 0.980 59 R CA -0.889 55.427 56.100 0.360 0.000 0.934 59 R CB 1.278 31.730 30.300 0.254 0.000 1.101 59 R HN 0.494 nan 8.270 nan 0.000 0.469 60 F N 0.283 120.283 119.950 0.082 0.000 2.619 60 F HA 0.651 5.186 4.527 0.013 0.000 0.308 60 F C -1.617 174.035 175.800 -0.247 0.000 1.097 60 F CA -0.622 57.288 58.000 -0.150 0.000 0.953 60 F CB 2.060 40.854 39.000 -0.343 0.000 1.287 60 F HN 0.613 nan 8.300 nan 0.000 0.446 61 A N 4.085 126.083 122.820 -1.371 0.000 2.455 61 A HA 0.548 4.876 4.320 0.013 0.000 0.300 61 A C -2.432 174.096 177.584 -1.760 0.000 1.040 61 A CA -0.497 50.818 52.037 -1.203 0.000 0.697 61 A CB 0.680 19.264 19.000 -0.693 0.000 1.265 61 A HN 0.956 nan 8.150 nan 0.000 0.407 62 W N 2.712 123.084 121.300 -1.547 0.000 2.417 62 W HA 0.742 5.410 4.660 0.013 0.000 0.317 62 W C -1.667 174.125 176.519 -1.212 0.000 1.121 62 W CA -0.180 56.428 57.345 -1.227 0.000 1.208 62 W CB 0.979 30.043 29.460 -0.660 0.000 1.253 62 W HN 0.508 nan 8.180 nan 0.000 0.533 63 F N 5.791 125.064 119.950 -1.129 0.000 2.603 63 F HA 0.379 4.914 4.527 0.013 0.000 0.317 63 F C -1.331 173.563 175.800 -1.511 0.000 1.066 63 F CA -2.211 55.231 58.000 -0.930 0.000 0.941 63 F CB 1.572 40.196 39.000 -0.626 0.000 1.291 63 F HN 0.183 nan 8.300 nan 0.000 0.472 64 P HA 0.092 nan 4.420 nan 0.000 0.222 64 P C -0.283 176.885 177.300 -0.219 0.000 1.153 64 P CA 1.034 63.907 63.100 -0.379 0.000 0.798 64 P CB 0.626 32.352 31.700 0.044 0.000 0.796 65 A N -1.250 121.455 122.820 -0.192 0.000 2.601 65 A HA 0.522 4.850 4.320 0.013 0.000 0.291 65 A C -2.416 175.054 177.584 -0.190 0.000 1.075 65 A CA -0.970 50.991 52.037 -0.125 0.000 0.671 65 A CB 0.359 19.350 19.000 -0.016 0.000 1.277 65 A HN -0.282 nan 8.150 nan 0.000 0.417 66 P HA -0.091 nan 4.420 nan 0.000 0.218 66 P C 0.682 177.889 177.300 -0.156 0.000 1.149 66 P CA 1.499 64.469 63.100 -0.217 0.000 0.817 66 P CB 0.162 31.722 31.700 -0.235 0.000 0.785 67 E N 0.114 120.282 120.200 -0.054 0.000 2.333 67 E HA -0.071 4.287 4.350 0.013 0.000 0.198 67 E C 1.903 178.429 176.600 -0.124 0.000 1.007 67 E CA 1.195 57.571 56.400 -0.042 0.000 0.845 67 E CB -0.827 28.884 29.700 0.019 0.000 0.766 67 E HN 0.261 nan 8.360 nan 0.000 0.507 68 A N 0.261 122.957 122.820 -0.206 0.000 2.275 68 A HA 0.138 4.466 4.320 0.013 0.000 0.212 68 A C 0.600 177.829 177.584 -0.592 0.000 1.201 68 A CA -0.205 51.681 52.037 -0.251 0.000 0.843 68 A CB 0.397 19.335 19.000 -0.104 0.000 0.873 68 A HN 0.039 nan 8.150 nan 0.000 0.492 69 V N 2.497 121.972 119.914 -0.731 0.000 2.488 69 V HA 0.234 4.362 4.120 0.013 0.000 0.277 69 V C -2.347 173.450 176.094 -0.495 0.000 1.046 69 V CA -1.484 60.202 62.300 -1.023 0.000 0.986 69 V CB 0.876 32.141 31.823 -0.930 0.000 0.989 69 V HN 0.243 nan 8.190 nan 0.000 0.475 70 P HA 0.233 nan 4.420 nan 0.000 0.280 70 P C 0.556 177.813 177.300 -0.072 0.000 1.244 70 P CA -0.374 62.636 63.100 -0.151 0.000 0.784 70 P CB 0.749 32.409 31.700 -0.067 0.000 0.913 71 E N 1.253 121.413 120.200 -0.066 0.000 2.265 71 E HA -0.145 4.212 4.350 0.013 0.000 0.196 71 E C 1.626 178.192 176.600 -0.056 0.000 0.996 71 E CA 1.382 57.740 56.400 -0.069 0.000 0.832 71 E CB -0.789 28.874 29.700 -0.061 0.000 0.756 71 E HN 0.568 nan 8.360 nan 0.000 0.491 72 S N 0.203 115.894 115.700 -0.016 0.000 2.419 72 S HA -0.184 4.294 4.470 0.013 0.000 0.233 72 S C 1.772 176.373 174.600 0.001 0.000 1.016 72 S CA 0.760 58.955 58.200 -0.009 0.000 0.974 72 S CB -0.765 62.443 63.200 0.012 0.000 0.786 72 S HN 0.496 nan 8.310 nan 0.000 0.492 73 W N 2.413 123.624 121.300 -0.149 0.000 2.364 73 W HA 0.018 4.686 4.660 0.013 0.000 0.281 73 W C 1.547 177.962 176.519 -0.175 0.000 1.219 73 W CA 0.812 58.073 57.345 -0.141 0.000 1.220 73 W CB -0.380 28.980 29.460 -0.167 0.000 1.127 73 W HN 0.272 nan 8.180 nan 0.000 0.556 74 L N 0.283 121.239 121.223 -0.446 0.000 2.131 74 L HA -0.186 4.162 4.340 0.013 0.000 0.210 74 L C 2.310 178.930 176.870 -0.416 0.000 1.092 74 L CA 1.640 56.086 54.840 -0.657 0.000 0.759 74 L CB -0.632 41.083 42.059 -0.574 0.000 0.903 74 L HN -0.047 nan 8.230 nan 0.000 0.435 75 E N -1.534 118.512 120.200 -0.257 0.000 2.162 75 E HA 0.083 4.441 4.350 0.013 0.000 0.193 75 E C -0.059 176.465 176.600 -0.127 0.000 0.953 75 E CA 0.339 56.649 56.400 -0.149 0.000 0.849 75 E CB 0.481 30.127 29.700 -0.091 0.000 0.810 75 E HN 0.297 nan 8.360 nan 0.000 0.470 76 C N 0.715 119.947 119.300 -0.113 0.000 2.712 76 C HA 0.393 4.861 4.460 0.013 0.000 0.308 76 C C -0.404 174.571 174.990 -0.025 0.000 1.201 76 C CA -1.699 57.283 59.018 -0.059 0.000 1.554 76 C CB 1.284 29.013 27.740 -0.019 0.000 2.117 76 C HN 0.325 nan 8.230 nan 0.000 0.480 77 D N 1.014 121.416 120.400 0.002 0.000 2.506 77 D HA 0.156 4.804 4.640 0.013 0.000 0.234 77 D C -0.493 175.876 176.300 0.115 0.000 1.143 77 D CA 0.422 54.465 54.000 0.072 0.000 0.871 77 D CB 0.562 41.398 40.800 0.060 0.000 1.190 77 D HN 0.393 nan 8.370 nan 0.000 0.459 78 L N 5.269 126.605 121.223 0.188 0.000 2.305 78 L HA 0.242 4.590 4.340 0.013 0.000 0.281 78 L C -1.285 175.641 176.870 0.094 0.000 1.085 78 L CA -1.636 53.296 54.840 0.152 0.000 0.813 78 L CB 1.282 43.446 42.059 0.174 0.000 1.157 78 L HN 0.510 nan 8.230 nan 0.000 0.436 79 P HA -0.151 nan 4.420 nan 0.000 0.218 79 P C 0.679 178.004 177.300 0.041 0.000 1.148 79 P CA 1.071 64.200 63.100 0.049 0.000 0.822 79 P CB 0.261 31.984 31.700 0.038 0.000 0.784 80 E N -0.361 119.859 120.200 0.034 0.000 2.478 80 E HA 0.125 4.483 4.350 0.013 0.000 0.198 80 E C 1.020 177.620 176.600 -0.000 0.000 1.046 80 E CA 0.156 56.562 56.400 0.009 0.000 0.870 80 E CB -0.680 29.009 29.700 -0.018 0.000 0.818 80 E HN 0.224 nan 8.360 nan 0.000 0.527 81 A N 1.029 123.861 122.820 0.020 0.000 2.327 81 A HA 0.198 4.526 4.320 0.013 0.000 0.255 81 A C -0.025 177.603 177.584 0.074 0.000 1.099 81 A CA -0.326 51.721 52.037 0.017 0.000 0.801 81 A CB 0.382 19.423 19.000 0.069 0.000 1.062 81 A HN -0.058 nan 8.150 nan 0.000 0.496 82 D N -0.537 119.939 120.400 0.127 0.000 2.340 82 D HA 0.515 5.163 4.640 0.013 0.000 0.243 82 D C -0.694 175.717 176.300 0.186 0.000 0.988 82 D CA 0.020 54.119 54.000 0.165 0.000 0.959 82 D CB 1.482 42.441 40.800 0.264 0.000 1.226 82 D HN 0.366 nan 8.370 nan 0.000 0.509 83 T N 0.630 115.275 114.554 0.151 0.000 2.744 83 T HA 0.491 4.849 4.350 0.013 0.000 0.291 83 T C 0.104 174.892 174.700 0.147 0.000 0.957 83 T CA -0.515 61.682 62.100 0.162 0.000 1.002 83 T CB 0.539 69.478 68.868 0.118 0.000 0.919 83 T HN 0.255 nan 8.240 nan 0.000 0.468 84 V N 1.625 121.660 119.914 0.201 0.000 3.102 84 V HA 0.794 4.922 4.120 0.013 0.000 0.312 84 V C -0.324 175.901 176.094 0.218 0.000 1.135 84 V CA -1.007 61.377 62.300 0.139 0.000 1.022 84 V CB 1.757 33.657 31.823 0.129 0.000 1.056 84 V HN 0.492 nan 8.190 nan 0.000 0.436 85 V N 2.285 122.306 119.914 0.177 0.000 2.530 85 V HA 0.463 4.591 4.120 0.013 0.000 0.282 85 V C 0.053 176.241 176.094 0.157 0.000 1.048 85 V CA -0.030 62.375 62.300 0.175 0.000 0.997 85 V CB 1.291 33.186 31.823 0.119 0.000 0.987 85 V HN 0.744 nan 8.190 nan 0.000 0.477 86 V N 7.635 127.572 119.914 0.039 0.000 2.540 86 V HA 0.442 4.570 4.120 0.013 0.000 0.302 86 V C -2.258 173.746 176.094 -0.150 0.000 1.035 86 V CA -1.775 60.403 62.300 -0.203 0.000 0.873 86 V CB 2.358 33.709 31.823 -0.787 0.000 0.992 86 V HN 0.745 nan 8.190 nan 0.000 0.428 87 P HA 0.410 nan 4.420 nan 0.000 0.274 87 P C -0.755 176.476 177.300 -0.115 0.000 1.231 87 P CA -0.066 62.923 63.100 -0.185 0.000 0.790 87 P CB 1.228 32.830 31.700 -0.164 0.000 0.951 88 S N 0.401 116.036 115.700 -0.108 0.000 2.595 88 S HA 0.416 4.894 4.470 0.013 0.000 0.270 88 S C -1.233 173.283 174.600 -0.140 0.000 1.145 88 S CA -1.027 57.088 58.200 -0.142 0.000 0.825 88 S CB 0.587 63.646 63.200 -0.235 0.000 1.107 88 S HN 0.336 nan 8.310 nan 0.000 0.461 89 N N 0.812 119.371 118.700 -0.235 0.000 2.400 89 N HA 0.447 5.195 4.740 0.013 0.000 0.288 89 N C 0.511 175.842 175.510 -0.299 0.000 1.024 89 N CA -0.815 52.074 53.050 -0.269 0.000 0.894 89 N CB 0.745 39.050 38.487 -0.302 0.000 1.173 89 N HN 0.864 nan 8.380 nan 0.000 0.487 90 W N 2.445 123.598 121.300 -0.245 0.000 2.421 90 W HA -0.053 4.615 4.660 0.014 0.000 0.270 90 W C 0.988 177.484 176.519 -0.038 0.000 1.233 90 W CA 0.704 57.906 57.345 -0.238 0.000 1.226 90 W CB -0.372 28.922 29.460 -0.277 0.000 1.121 90 W HN 0.525 nan 8.180 nan 0.000 0.579 91 Q N 0.517 120.301 119.800 -0.027 0.000 2.170 91 Q HA -0.125 4.223 4.340 0.013 0.000 0.203 91 Q C 2.169 178.121 176.000 -0.081 0.000 0.976 91 Q CA 1.911 57.695 55.803 -0.032 0.000 0.858 91 Q CB -0.588 28.011 28.738 -0.232 0.000 0.907 91 Q HN 0.257 nan 8.270 nan 0.000 0.433 92 M N -0.765 118.746 119.600 -0.148 0.000 2.557 92 M HA -0.061 4.427 4.480 0.013 0.000 0.259 92 M C 0.645 177.003 176.300 0.096 0.000 1.086 92 M CA 1.378 56.615 55.300 -0.104 0.000 1.096 92 M CB -0.589 31.930 32.600 -0.135 0.000 1.424 92 M HN 0.376 nan 8.290 nan 0.000 0.488 93 H N -0.765 118.343 119.070 0.065 0.000 2.549 93 H HA 0.285 4.849 4.556 0.013 0.000 0.279 93 H C 1.169 176.439 175.328 -0.096 0.000 1.018 93 H CA 0.033 56.118 56.048 0.062 0.000 1.175 93 H CB 0.343 30.263 29.762 0.264 0.000 1.485 93 H HN 0.549 nan 8.280 nan 0.000 0.543 94 G N 0.759 109.592 108.800 0.056 0.000 2.160 94 G HA2 -0.368 3.600 3.960 0.013 0.000 0.251 94 G HA3 -0.368 3.600 3.960 0.013 0.000 0.251 94 G C 0.276 175.052 174.900 -0.206 0.000 1.008 94 G CA 0.426 45.479 45.100 -0.078 0.000 0.724 94 G HN 0.505 nan 8.290 nan 0.000 0.514 95 Y N 1.078 121.380 120.300 0.005 0.000 2.475 95 Y HA 0.305 4.863 4.550 0.013 0.000 0.289 95 Y C 1.555 177.172 175.900 -0.473 0.000 1.121 95 Y CA 1.270 59.238 58.100 -0.221 0.000 1.257 95 Y CB 0.409 38.805 38.460 -0.105 0.000 1.026 95 Y HN 0.648 nan 8.280 nan 0.000 0.555 96 D N -1.756 118.683 120.400 0.065 0.000 2.692 96 D HA 0.469 5.116 4.640 0.013 0.000 0.290 96 D C -1.235 175.138 176.300 0.121 0.000 1.281 96 D CA -0.885 53.168 54.000 0.088 0.000 0.804 96 D CB 0.707 41.690 40.800 0.304 0.000 1.331 96 D HN -0.091 nan 8.370 nan 0.000 0.432 97 A N 0.165 123.069 122.820 0.140 0.000 2.309 97 A HA 0.697 5.025 4.320 0.013 0.000 0.298 97 A C -2.311 175.299 177.584 0.043 0.000 1.165 97 A CA -1.201 50.897 52.037 0.101 0.000 0.821 97 A CB 0.151 19.280 19.000 0.215 0.000 1.102 97 A HN 0.540 nan 8.150 nan 0.000 0.500 98 P HA 0.403 nan 4.420 nan 0.000 0.275 98 P C -0.868 176.607 177.300 0.291 0.000 1.228 98 P CA 0.122 63.170 63.100 -0.086 0.000 0.786 98 P CB 0.809 32.201 31.700 -0.512 0.000 0.927 99 I N 2.519 123.342 120.570 0.422 0.000 2.474 99 I HA 0.256 4.434 4.170 0.013 0.000 0.294 99 I C -0.478 175.833 176.117 0.324 0.000 1.005 99 I CA -0.990 60.559 61.300 0.416 0.000 1.113 99 I CB 1.660 39.843 38.000 0.305 0.000 1.289 99 I HN 0.297 nan 8.210 nan 0.000 0.436 100 Y N 5.897 126.155 120.300 -0.070 0.000 2.478 100 Y HA 0.482 5.040 4.550 0.013 0.000 0.329 100 Y C -0.312 175.438 175.900 -0.250 0.000 0.967 100 Y CA -0.434 57.346 58.100 -0.533 0.000 1.255 100 Y CB 1.072 38.676 38.460 -1.427 0.000 1.103 100 Y HN 0.518 nan 8.280 nan 0.000 0.497 101 T N 5.166 119.182 114.554 -0.897 0.000 2.876 101 T HA 0.270 4.628 4.350 0.013 0.000 0.289 101 T C 0.141 174.353 174.700 -0.813 0.000 1.014 101 T CA -0.566 61.061 62.100 -0.789 0.000 0.986 101 T CB 1.096 69.743 68.868 -0.369 0.000 1.021 101 T HN 0.759 nan 8.240 nan 0.000 0.458 102 N N 2.673 120.952 118.700 -0.702 0.000 2.349 102 N HA 0.069 4.817 4.740 0.013 0.000 0.216 102 N C 1.639 176.879 175.510 -0.451 0.000 1.025 102 N CA 1.388 54.153 53.050 -0.475 0.000 1.074 102 N CB -0.692 37.532 38.487 -0.438 0.000 1.323 102 N HN 0.380 nan 8.380 nan 0.000 0.560 103 V N 0.612 120.194 119.914 -0.554 0.000 2.331 103 V HA 0.055 4.182 4.120 0.013 0.000 0.242 103 V C 0.531 176.320 176.094 -0.508 0.000 1.034 103 V CA 1.085 62.981 62.300 -0.673 0.000 1.027 103 V CB -0.930 30.376 31.823 -0.861 0.000 0.667 103 V HN 0.369 nan 8.190 nan 0.000 0.457 104 T N 0.781 115.103 114.554 -0.388 0.000 2.908 104 T HA 0.104 4.462 4.350 0.013 0.000 0.301 104 T C -0.325 174.248 174.700 -0.211 0.000 1.019 104 T CA 0.284 62.235 62.100 -0.248 0.000 1.152 104 T CB -0.211 68.541 68.868 -0.194 0.000 0.966 104 T HN 0.183 nan 8.240 nan 0.000 0.540 105 Y N 4.490 124.689 120.300 -0.167 0.000 2.550 105 Y HA 0.134 4.692 4.550 0.013 0.000 0.343 105 Y C -0.787 174.986 175.900 -0.211 0.000 1.245 105 Y CA -1.607 56.384 58.100 -0.181 0.000 1.462 105 Y CB 0.435 38.782 38.460 -0.188 0.000 1.340 105 Y HN 0.505 nan 8.280 nan 0.000 0.604 106 P HA 0.057 nan 4.420 nan 0.000 0.249 106 P C -0.515 176.576 177.300 -0.348 0.000 1.229 106 P CA 0.919 63.922 63.100 -0.162 0.000 0.788 106 P CB -0.018 31.625 31.700 -0.097 0.000 1.072 107 I N -5.603 114.741 120.570 -0.377 0.000 3.074 107 I HA 0.485 4.662 4.170 0.013 0.000 0.310 107 I C -0.698 175.278 176.117 -0.235 0.000 1.153 107 I CA -1.252 59.785 61.300 -0.438 0.000 0.993 107 I CB 1.786 39.366 38.000 -0.699 0.000 1.237 107 I HN -0.480 nan 8.210 nan 0.000 0.443 108 T N 2.981 117.440 114.554 -0.158 0.000 2.871 108 T HA 0.144 4.502 4.350 0.013 0.000 0.296 108 T C 0.234 174.907 174.700 -0.044 0.000 0.998 108 T CA -0.182 61.878 62.100 -0.067 0.000 1.162 108 T CB 0.337 69.192 68.868 -0.022 0.000 0.947 108 T HN 0.377 nan 8.240 nan 0.000 0.536 109 V N 5.203 125.101 119.914 -0.028 0.000 2.390 109 V HA 0.191 4.319 4.120 0.013 0.000 0.260 109 V C 0.767 176.899 176.094 0.064 0.000 1.043 109 V CA -0.190 62.111 62.300 0.001 0.000 1.047 109 V CB -0.369 31.436 31.823 -0.030 0.000 1.066 109 V HN 0.832 nan 8.190 nan 0.000 0.481 110 N N 5.930 124.732 118.700 0.169 0.000 2.666 110 N HA 0.273 5.021 4.740 0.013 0.000 0.253 110 N C -2.948 172.648 175.510 0.143 0.000 1.621 110 N CA -1.395 51.751 53.050 0.159 0.000 0.785 110 N CB 1.434 40.044 38.487 0.206 0.000 1.332 110 N HN 0.273 nan 8.380 nan 0.000 0.514 111 P HA 0.164 nan 4.420 nan 0.000 0.265 111 P C -2.264 174.849 177.300 -0.312 0.000 1.193 111 P CA -0.679 62.049 63.100 -0.619 0.000 0.765 111 P CB 0.529 31.762 31.700 -0.778 0.000 0.823 112 P HA 0.231 nan 4.420 nan 0.000 0.266 112 P C -0.456 176.689 177.300 -0.257 0.000 1.561 112 P CA -0.315 62.544 63.100 -0.402 0.000 1.089 112 P CB 0.080 31.523 31.700 -0.428 0.000 1.534 113 F N 1.059 121.109 119.950 0.166 0.000 2.380 113 F HA 0.323 4.859 4.527 0.013 0.000 0.325 113 F C 1.378 177.340 175.800 0.270 0.000 1.136 113 F CA -0.612 57.499 58.000 0.186 0.000 1.171 113 F CB 0.616 39.675 39.000 0.098 0.000 1.230 113 F HN -0.209 nan 8.300 nan 0.000 0.554 114 V N -1.337 118.837 119.914 0.434 0.000 3.126 114 V HA 0.689 4.817 4.120 0.013 0.000 0.314 114 V C -2.804 173.446 176.094 0.260 0.000 1.138 114 V CA -2.970 59.507 62.300 0.294 0.000 1.034 114 V CB 1.391 33.436 31.823 0.370 0.000 1.075 114 V HN 0.477 nan 8.190 nan 0.000 0.442 115 P HA 0.169 nan 4.420 nan 0.000 0.266 115 P C 1.104 178.545 177.300 0.236 0.000 1.195 115 P CA 0.603 63.796 63.100 0.155 0.000 0.768 115 P CB 0.534 32.303 31.700 0.115 0.000 0.838 116 T N -1.143 113.522 114.554 0.184 0.000 2.867 116 T HA -0.116 4.242 4.350 0.013 0.000 0.268 116 T C 0.680 175.491 174.700 0.184 0.000 1.057 116 T CA 0.887 63.101 62.100 0.189 0.000 1.136 116 T CB -0.455 68.491 68.868 0.129 0.000 0.874 116 T HN 0.371 nan 8.240 nan 0.000 0.466 117 E N 2.655 122.963 120.200 0.180 0.000 1.865 117 E HA 0.188 4.546 4.350 0.013 0.000 0.269 117 E C -0.792 175.961 176.600 0.255 0.000 1.177 117 E CA -0.240 56.270 56.400 0.184 0.000 0.932 117 E CB 0.081 29.895 29.700 0.190 0.000 1.066 117 E HN 0.263 nan 8.360 nan 0.000 0.405 118 N N 4.540 123.360 118.700 0.200 0.000 2.569 118 N HA 0.257 5.005 4.740 0.013 0.000 0.254 118 N C -2.858 172.668 175.510 0.027 0.000 1.004 118 N CA -2.373 50.821 53.050 0.240 0.000 0.904 118 N CB 1.286 39.903 38.487 0.216 0.000 1.165 118 N HN 0.023 nan 8.380 nan 0.000 0.513 119 P HA 0.006 nan 4.420 nan 0.000 0.260 119 P C -0.853 176.317 177.300 -0.216 0.000 1.172 119 P CA 0.535 63.536 63.100 -0.164 0.000 0.760 119 P CB 0.402 32.293 31.700 0.319 0.000 0.773 120 T N 2.871 117.029 114.554 -0.660 0.000 2.786 120 T HA 0.560 4.918 4.350 0.013 0.000 0.283 120 T C 0.294 174.457 174.700 -0.894 0.000 0.992 120 T CA -0.569 61.203 62.100 -0.547 0.000 0.954 120 T CB 1.468 70.097 68.868 -0.397 0.000 0.934 120 T HN 0.340 nan 8.240 nan 0.000 0.440 121 G N 1.131 109.468 108.800 -0.772 0.000 2.370 121 G HA2 0.494 4.462 3.960 0.013 0.000 0.317 121 G HA3 0.494 4.462 3.960 0.013 0.000 0.317 121 G C -0.394 174.278 174.900 -0.381 0.000 1.162 121 G CA -0.376 44.204 45.100 -0.867 0.000 0.922 121 G HN 0.858 nan 8.290 nan 0.000 0.454 122 C N 3.068 121.905 119.300 -0.772 0.000 2.251 122 C HA 0.524 4.992 4.460 0.013 0.000 0.323 122 C C -0.670 174.267 174.990 -0.089 0.000 1.241 122 C CA -0.917 57.790 59.018 -0.519 0.000 1.601 122 C CB -1.375 25.603 27.740 -1.271 0.000 2.251 122 C HN 0.640 nan 8.230 nan 0.000 0.488 123 Y N 1.950 122.536 120.300 0.477 0.000 2.420 123 Y HA 0.663 5.221 4.550 0.013 0.000 0.334 123 Y C 0.725 177.108 175.900 0.804 0.000 1.094 123 Y CA -0.266 58.236 58.100 0.670 0.000 1.126 123 Y CB 1.612 40.438 38.460 0.611 0.000 1.217 123 Y HN 0.684 nan 8.280 nan 0.000 0.462 124 S N 2.314 118.535 115.700 0.868 0.000 2.579 124 S HA 0.834 5.312 4.470 0.013 0.000 0.272 124 S C -1.969 172.724 174.600 0.154 0.000 1.141 124 S CA -0.770 57.724 58.200 0.490 0.000 0.843 124 S CB 2.184 65.558 63.200 0.289 0.000 1.122 124 S HN 0.610 nan 8.310 nan 0.000 0.468 125 L N 0.846 121.981 121.223 -0.146 0.000 2.513 125 L HA 0.725 5.073 4.340 0.013 0.000 0.261 125 L C -0.997 175.797 176.870 -0.127 0.000 0.945 125 L CA 0.131 54.715 54.840 -0.426 0.000 0.848 125 L CB 2.288 43.581 42.059 -1.277 0.000 1.334 125 L HN 0.930 nan 8.230 nan 0.000 0.407 126 T N 5.052 119.553 114.554 -0.089 0.000 2.795 126 T HA 0.757 5.115 4.350 0.013 0.000 0.282 126 T C -0.799 173.925 174.700 0.041 0.000 0.980 126 T CA 0.015 62.100 62.100 -0.025 0.000 1.012 126 T CB 0.457 69.291 68.868 -0.056 0.000 0.936 126 T HN 0.473 nan 8.240 nan 0.000 0.457 127 F N 1.315 121.187 119.950 -0.129 0.000 2.715 127 F HA 0.826 5.361 4.527 0.013 0.000 0.318 127 F C -1.056 174.694 175.800 -0.084 0.000 1.141 127 F CA -1.399 56.532 58.000 -0.115 0.000 0.950 127 F CB 1.387 40.312 39.000 -0.125 0.000 1.374 127 F HN 0.518 nan 8.300 nan 0.000 0.477 128 N N -0.178 118.434 118.700 -0.146 0.000 2.697 128 N HA 0.715 5.463 4.740 0.013 0.000 0.272 128 N C -1.549 173.918 175.510 -0.071 0.000 1.381 128 N CA -0.569 52.339 53.050 -0.237 0.000 0.797 128 N CB 2.016 40.380 38.487 -0.205 0.000 1.523 128 N HN 0.921 nan 8.380 nan 0.000 0.518 129 V N -4.016 115.820 119.914 -0.131 0.000 3.040 129 V HA 0.576 4.704 4.120 0.013 0.000 0.312 129 V C -0.355 175.536 176.094 -0.337 0.000 1.115 129 V CA -1.056 61.102 62.300 -0.236 0.000 0.998 129 V CB 1.790 33.586 31.823 -0.045 0.000 1.042 129 V HN 0.852 nan 8.190 nan 0.000 0.433 130 D N 1.037 121.041 120.400 -0.660 0.000 2.472 130 D HA -0.052 4.596 4.640 0.013 0.000 0.237 130 D C 0.996 177.150 176.300 -0.242 0.000 1.141 130 D CA 0.604 54.310 54.000 -0.490 0.000 0.875 130 D CB 1.693 42.058 40.800 -0.724 0.000 1.192 130 D HN 0.922 nan 8.370 nan 0.000 0.450 131 E N 2.021 122.147 120.200 -0.123 0.000 2.114 131 E HA -0.251 4.107 4.350 0.013 0.000 0.199 131 E C 1.866 178.483 176.600 0.027 0.000 1.008 131 E CA 2.236 58.614 56.400 -0.037 0.000 0.810 131 E CB -0.256 29.429 29.700 -0.024 0.000 0.739 131 E HN 0.482 nan 8.360 nan 0.000 0.456 132 S N -0.985 114.743 115.700 0.047 0.000 2.419 132 S HA -0.151 4.327 4.470 0.013 0.000 0.233 132 S C 1.673 176.403 174.600 0.216 0.000 1.016 132 S CA 0.971 59.254 58.200 0.140 0.000 0.974 132 S CB -0.747 62.556 63.200 0.171 0.000 0.786 132 S HN 0.418 nan 8.310 nan 0.000 0.492 133 W N 1.658 122.830 121.300 -0.213 0.000 2.467 133 W HA 0.359 5.027 4.660 0.013 0.000 0.275 133 W C 1.972 178.456 176.519 -0.059 0.000 1.239 133 W CA -0.462 56.689 57.345 -0.324 0.000 1.266 133 W CB -0.922 28.309 29.460 -0.381 0.000 1.112 133 W HN 0.322 nan 8.180 nan 0.000 0.576 134 L N -0.304 121.032 121.223 0.189 0.000 2.240 134 L HA -0.105 4.243 4.340 0.013 0.000 0.211 134 L C 2.397 179.335 176.870 0.113 0.000 1.106 134 L CA 0.904 55.824 54.840 0.133 0.000 0.793 134 L CB -0.785 41.319 42.059 0.075 0.000 0.927 134 L HN -0.007 nan 8.230 nan 0.000 0.446 135 Q N -0.054 119.814 119.800 0.113 0.000 2.016 135 Q HA -0.033 4.315 4.340 0.013 0.000 0.200 135 Q C 0.122 176.186 176.000 0.106 0.000 0.978 135 Q CA 1.032 56.892 55.803 0.095 0.000 0.833 135 Q CB 0.315 29.106 28.738 0.089 0.000 0.895 135 Q HN 0.434 nan 8.270 nan 0.000 0.427 136 E N -1.955 118.334 120.200 0.149 0.000 2.437 136 E HA 0.491 4.849 4.350 0.013 0.000 0.280 136 E C -0.538 176.189 176.600 0.211 0.000 1.044 136 E CA -0.032 56.452 56.400 0.140 0.000 0.826 136 E CB 1.739 31.504 29.700 0.108 0.000 1.358 136 E HN 0.275 nan 8.360 nan 0.000 0.459 137 G N 0.892 109.744 108.800 0.087 0.000 2.756 137 G HA2 -0.208 3.760 3.960 0.013 0.000 0.678 137 G HA3 -0.208 3.760 3.960 0.013 0.000 0.678 137 G C -0.824 174.044 174.900 -0.055 0.000 1.349 137 G CA -0.331 44.733 45.100 -0.060 0.000 0.847 137 G HN 0.451 nan 8.290 nan 0.000 0.548 138 Q N -0.181 119.474 119.800 -0.242 0.000 2.307 138 Q HA 0.613 4.961 4.340 0.013 0.000 0.262 138 Q C -0.639 175.291 176.000 -0.116 0.000 0.961 138 Q CA -0.423 55.312 55.803 -0.114 0.000 0.882 138 Q CB 1.048 29.712 28.738 -0.123 0.000 1.264 138 Q HN 0.581 nan 8.270 nan 0.000 0.446 139 T N 5.531 120.119 114.554 0.056 0.000 2.770 139 T HA 0.429 4.787 4.350 0.013 0.000 0.297 139 T C -0.504 174.252 174.700 0.093 0.000 0.997 139 T CA -0.619 61.526 62.100 0.076 0.000 0.949 139 T CB 0.402 69.410 68.868 0.233 0.000 0.941 139 T HN 0.606 nan 8.240 nan 0.000 0.457 140 R N 2.884 123.412 120.500 0.047 0.000 2.873 140 R HA 0.777 5.125 4.340 0.013 0.000 0.264 140 R C -1.036 175.304 176.300 0.067 0.000 1.026 140 R CA -1.022 55.124 56.100 0.077 0.000 1.002 140 R CB 1.564 31.897 30.300 0.054 0.000 1.174 140 R HN 0.542 nan 8.270 nan 0.000 0.488 141 I N 2.149 122.773 120.570 0.089 0.000 2.441 141 I HA 0.429 4.607 4.170 0.013 0.000 0.295 141 I C -1.056 175.067 176.117 0.011 0.000 0.994 141 I CA -1.273 60.028 61.300 0.000 0.000 1.144 141 I CB 1.352 39.347 38.000 -0.009 0.000 1.314 141 I HN 0.597 nan 8.210 nan 0.000 0.445 142 I N 7.540 128.015 120.570 -0.159 0.000 2.410 142 I HA 0.282 4.460 4.170 0.013 0.000 0.286 142 I C -1.231 174.709 176.117 -0.295 0.000 1.009 142 I CA -0.404 60.828 61.300 -0.112 0.000 1.111 142 I CB 1.379 39.329 38.000 -0.083 0.000 1.262 142 I HN 0.423 nan 8.210 nan 0.000 0.443 143 F N 4.669 124.608 119.950 -0.018 0.000 2.313 143 F HA 0.249 4.784 4.527 0.013 0.000 0.369 143 F C 1.370 177.066 175.800 -0.173 0.000 1.109 143 F CA -0.424 57.499 58.000 -0.129 0.000 1.132 143 F CB 0.679 39.587 39.000 -0.154 0.000 1.291 143 F HN 0.466 nan 8.300 nan 0.000 0.496 144 D N 2.374 122.698 120.400 -0.128 0.000 2.263 144 D HA 0.015 4.662 4.640 0.013 0.000 0.208 144 D C 1.001 177.137 176.300 -0.273 0.000 0.971 144 D CA 0.958 54.830 54.000 -0.213 0.000 0.867 144 D CB 0.369 40.983 40.800 -0.309 0.000 0.929 144 D HN 0.631 nan 8.370 nan 0.000 0.492 145 G N -0.566 108.027 108.800 -0.345 0.000 2.596 145 G HA2 0.422 4.390 3.960 0.013 0.000 0.300 145 G HA3 0.422 4.390 3.960 0.013 0.000 0.300 145 G C -1.535 173.136 174.900 -0.382 0.000 1.370 145 G CA -0.459 44.344 45.100 -0.496 0.000 1.170 145 G HN -0.048 nan 8.290 nan 0.000 0.594 146 V N 2.507 122.394 119.914 -0.044 0.000 2.623 146 V HA 0.565 4.693 4.120 0.013 0.000 0.304 146 V C -0.924 175.257 176.094 0.145 0.000 1.054 146 V CA -1.154 61.120 62.300 -0.045 0.000 0.882 146 V CB 2.064 33.613 31.823 -0.456 0.000 1.002 146 V HN 0.732 nan 8.190 nan 0.000 0.424 147 N N 2.297 121.061 118.700 0.107 0.000 2.443 147 N HA 0.333 5.081 4.740 0.013 0.000 0.269 147 N C 0.628 176.065 175.510 -0.121 0.000 0.985 147 N CA 0.199 53.226 53.050 -0.038 0.000 0.921 147 N CB 2.298 40.614 38.487 -0.285 0.000 1.195 147 N HN 0.672 nan 8.380 nan 0.000 0.492 148 S N 2.151 117.822 115.700 -0.048 0.000 2.506 148 S HA 0.546 5.024 4.470 0.013 0.000 0.219 148 S C 0.385 175.046 174.600 0.103 0.000 1.031 148 S CA 0.247 58.473 58.200 0.042 0.000 0.911 148 S CB 0.274 63.523 63.200 0.082 0.000 0.812 148 S HN 0.693 nan 8.310 nan 0.000 0.497 149 A N 0.627 123.518 122.820 0.119 0.000 2.612 149 A HA 0.749 5.077 4.320 0.013 0.000 0.293 149 A C -1.295 176.373 177.584 0.140 0.000 1.075 149 A CA -0.967 51.103 52.037 0.055 0.000 0.680 149 A CB 0.763 19.831 19.000 0.114 0.000 1.279 149 A HN 1.082 nan 8.150 nan 0.000 0.411 150 F N -0.740 119.011 119.950 -0.333 0.000 2.693 150 F HA 0.758 5.293 4.527 0.013 0.000 0.309 150 F C -1.073 174.608 175.800 -0.198 0.000 1.129 150 F CA -0.818 57.086 58.000 -0.160 0.000 0.948 150 F CB 1.156 40.049 39.000 -0.178 0.000 1.315 150 F HN 0.628 nan 8.300 nan 0.000 0.447 151 H N 1.694 120.911 119.070 0.245 0.000 2.529 151 H HA 0.716 5.280 4.556 0.013 0.000 0.348 151 H C -1.468 173.807 175.328 -0.087 0.000 1.152 151 H CA -0.731 55.324 56.048 0.011 0.000 1.202 151 H CB 2.535 32.280 29.762 -0.028 0.000 1.562 151 H HN 0.754 nan 8.280 nan 0.000 0.515 152 L N 2.686 123.686 121.223 -0.371 0.000 2.386 152 L HA 0.422 4.770 4.340 0.013 0.000 0.271 152 L C -1.599 174.976 176.870 -0.491 0.000 0.993 152 L CA -0.521 54.170 54.840 -0.249 0.000 0.819 152 L CB 1.557 43.342 42.059 -0.456 0.000 1.294 152 L HN 0.529 nan 8.230 nan 0.000 0.414 153 W N 4.113 125.386 121.300 -0.045 0.000 2.864 153 W HA 0.626 5.294 4.660 0.013 0.000 0.343 153 W C -1.159 175.302 176.519 -0.098 0.000 1.109 153 W CA -0.793 56.505 57.345 -0.077 0.000 1.192 153 W CB 2.076 31.533 29.460 -0.004 0.000 1.426 153 W HN 0.646 nan 8.180 nan 0.000 0.529 154 C N 3.903 123.278 119.300 0.125 0.000 2.535 154 C HA 0.323 4.791 4.460 0.013 0.000 0.319 154 C C 0.209 175.327 174.990 0.213 0.000 1.171 154 C CA -0.375 58.722 59.018 0.132 0.000 1.394 154 C CB -0.012 27.742 27.740 0.023 0.000 1.990 154 C HN 0.814 nan 8.230 nan 0.000 0.466 155 N N 3.344 122.132 118.700 0.146 0.000 2.716 155 N HA -0.192 4.556 4.740 0.013 0.000 0.250 155 N C 1.015 176.596 175.510 0.119 0.000 1.033 155 N CA 2.113 55.224 53.050 0.100 0.000 0.727 155 N CB -1.269 37.292 38.487 0.122 0.000 0.950 155 N HN 1.900 nan 8.380 nan 0.000 0.541 156 G N -1.311 107.549 108.800 0.100 0.000 2.212 156 G HA2 -0.381 3.587 3.960 0.013 0.000 0.266 156 G HA3 -0.381 3.587 3.960 0.013 0.000 0.266 156 G C 0.162 175.234 174.900 0.287 0.000 0.978 156 G CA 0.723 45.878 45.100 0.092 0.000 0.632 156 G HN 0.581 nan 8.290 nan 0.000 0.537 157 R N -0.982 119.753 120.500 0.392 0.000 2.407 157 R HA 0.435 4.783 4.340 0.013 0.000 0.303 157 R C -0.164 176.464 176.300 0.548 0.000 0.981 157 R CA -0.866 55.538 56.100 0.507 0.000 0.905 157 R CB 1.061 31.688 30.300 0.544 0.000 1.099 157 R HN 0.226 nan 8.270 nan 0.000 0.459 158 W N 3.696 125.187 121.300 0.318 0.000 2.308 158 W HA 0.069 4.736 4.660 0.013 0.000 0.324 158 W C 0.068 176.517 176.519 -0.117 0.000 1.387 158 W CA 0.047 57.298 57.345 -0.155 0.000 1.250 158 W CB 0.656 29.997 29.460 -0.199 0.000 1.257 158 W HN 0.343 nan 8.180 nan 0.000 0.554 159 V N 5.520 124.712 119.914 -1.203 0.000 2.627 159 V HA 0.525 4.653 4.120 0.013 0.000 0.239 159 V C 1.093 176.227 176.094 -1.599 0.000 1.077 159 V CA 1.042 62.617 62.300 -1.210 0.000 1.103 159 V CB -0.463 30.698 31.823 -1.103 0.000 0.802 159 V HN 0.823 nan 8.190 nan 0.000 0.482 160 G N -1.783 105.852 108.800 -1.941 0.000 2.428 160 G HA2 0.468 4.435 3.960 0.013 0.000 0.304 160 G HA3 0.468 4.435 3.960 0.013 0.000 0.304 160 G C -2.457 172.003 174.900 -0.735 0.000 1.303 160 G CA -0.300 44.004 45.100 -1.328 0.000 0.825 160 G HN -0.013 nan 8.290 nan 0.000 0.484 161 Y N -0.474 119.567 120.300 -0.432 0.000 2.562 161 Y HA 0.712 5.270 4.550 0.013 0.000 0.345 161 Y C -0.055 175.631 175.900 -0.357 0.000 1.045 161 Y CA -0.114 57.685 58.100 -0.501 0.000 1.028 161 Y CB 2.284 40.613 38.460 -0.219 0.000 1.297 161 Y HN 1.204 nan 8.280 nan 0.000 0.463 162 G N 3.791 111.731 108.800 -1.434 0.000 2.706 162 G HA2 0.582 4.550 3.960 0.013 0.000 0.297 162 G HA3 0.582 4.550 3.960 0.013 0.000 0.297 162 G C -2.095 172.313 174.900 -0.821 0.000 1.403 162 G CA -0.862 43.719 45.100 -0.865 0.000 0.954 162 G HN 0.603 nan 8.290 nan 0.000 0.500 163 Q N -0.158 119.428 119.800 -0.357 0.000 2.496 163 Q HA 0.590 4.938 4.340 0.013 0.000 0.286 163 Q C -1.379 174.617 176.000 -0.007 0.000 1.103 163 Q CA -0.817 54.915 55.803 -0.118 0.000 0.813 163 Q CB 2.706 31.437 28.738 -0.012 0.000 1.444 163 Q HN 0.640 nan 8.270 nan 0.000 0.443 164 D N -0.188 120.248 120.400 0.059 0.000 4.013 164 D HA -0.095 4.553 4.640 0.013 0.000 0.225 164 D C -0.486 175.876 176.300 0.104 0.000 1.196 164 D CA 0.393 54.442 54.000 0.083 0.000 0.889 164 D CB -0.666 40.166 40.800 0.054 0.000 0.572 164 D HN 0.526 nan 8.370 nan 0.000 0.258 165 S N 2.964 118.739 115.700 0.126 0.000 2.537 165 S HA -0.085 4.393 4.470 0.013 0.000 0.240 165 S C 1.559 176.295 174.600 0.227 0.000 0.981 165 S CA 0.633 58.937 58.200 0.173 0.000 0.948 165 S CB 0.222 63.482 63.200 0.100 0.000 0.759 165 S HN 0.448 nan 8.310 nan 0.000 0.531 166 R N -0.005 120.587 120.500 0.153 0.000 2.565 166 R HA 0.430 4.778 4.340 0.013 0.000 0.347 166 R C -0.415 175.941 176.300 0.093 0.000 1.010 166 R CA 0.057 56.246 56.100 0.148 0.000 1.126 166 R CB 0.235 30.642 30.300 0.178 0.000 1.331 166 R HN 0.318 nan 8.270 nan 0.000 0.552 167 L N 1.517 122.770 121.223 0.049 0.000 2.350 167 L HA 0.523 4.871 4.340 0.013 0.000 0.260 167 L C -2.378 174.468 176.870 -0.039 0.000 1.015 167 L CA -2.273 52.565 54.840 -0.004 0.000 0.821 167 L CB 2.943 44.992 42.059 -0.017 0.000 1.370 167 L HN -0.207 nan 8.230 nan 0.000 0.416 168 P HA 0.116 nan 4.420 nan 0.000 0.271 168 P C -1.033 176.233 177.300 -0.056 0.000 1.216 168 P CA -0.244 62.809 63.100 -0.078 0.000 0.776 168 P CB 1.164 32.779 31.700 -0.142 0.000 0.881 169 S N 1.869 117.600 115.700 0.052 0.000 2.498 169 S HA 0.310 4.788 4.470 0.013 0.000 0.317 169 S C -0.395 174.182 174.600 -0.038 0.000 1.090 169 S CA -0.611 57.580 58.200 -0.014 0.000 1.089 169 S CB 0.823 64.153 63.200 0.217 0.000 0.997 169 S HN 0.371 nan 8.310 nan 0.000 0.470 170 E N 2.131 122.107 120.200 -0.373 0.000 2.212 170 E HA 0.625 4.983 4.350 0.013 0.000 0.268 170 E C -1.403 174.806 176.600 -0.653 0.000 0.902 170 E CA -0.656 55.585 56.400 -0.266 0.000 0.779 170 E CB 1.665 31.314 29.700 -0.086 0.000 1.172 170 E HN 0.403 nan 8.360 nan 0.000 0.409 171 F N 0.429 120.431 119.950 0.087 0.000 2.578 171 F HA 0.201 4.736 4.527 0.014 0.000 0.311 171 F C -0.179 175.639 175.800 0.030 0.000 1.094 171 F CA -1.160 56.855 58.000 0.025 0.000 0.923 171 F CB 1.648 40.628 39.000 -0.033 0.000 1.230 171 F HN 0.300 nan 8.300 nan 0.000 0.450 172 D N 2.585 123.108 120.400 0.206 0.000 2.317 172 D HA 0.248 4.895 4.640 0.013 0.000 0.252 172 D C 0.295 176.731 176.300 0.227 0.000 1.174 172 D CA 0.256 54.360 54.000 0.174 0.000 0.866 172 D CB 1.010 41.894 40.800 0.141 0.000 1.127 172 D HN 0.577 nan 8.370 nan 0.000 0.467 173 L N 2.755 124.114 121.223 0.226 0.000 2.640 173 L HA 0.029 4.376 4.340 0.013 0.000 0.230 173 L C 2.093 179.205 176.870 0.404 0.000 1.123 173 L CA -0.164 54.859 54.840 0.306 0.000 0.900 173 L CB 0.001 42.207 42.059 0.244 0.000 1.146 173 L HN 0.301 nan 8.230 nan 0.000 0.484 174 S N 1.524 117.396 115.700 0.287 0.000 2.393 174 S HA -0.308 4.169 4.470 0.013 0.000 0.234 174 S C 1.974 176.690 174.600 0.193 0.000 1.064 174 S CA 1.961 60.292 58.200 0.218 0.000 1.088 174 S CB -0.224 63.062 63.200 0.143 0.000 0.939 174 S HN 0.570 nan 8.310 nan 0.000 0.448 175 A N -0.655 122.263 122.820 0.165 0.000 2.251 175 A HA 0.376 4.704 4.320 0.013 0.000 0.209 175 A C 1.250 178.749 177.584 -0.140 0.000 1.187 175 A CA 0.187 52.205 52.037 -0.031 0.000 0.823 175 A CB -0.414 18.485 19.000 -0.168 0.000 0.846 175 A HN 0.468 nan 8.150 nan 0.000 0.486 176 F N -0.489 119.514 119.950 0.088 0.000 2.717 176 F HA 0.334 4.869 4.527 0.013 0.000 0.297 176 F C 0.767 176.619 175.800 0.088 0.000 1.113 176 F CA -0.341 57.712 58.000 0.089 0.000 1.319 176 F CB -0.063 39.000 39.000 0.105 0.000 1.097 176 F HN -0.031 nan 8.300 nan 0.000 0.595 177 L N 2.391 123.788 121.223 0.289 0.000 2.483 177 L HA 0.202 4.550 4.340 0.013 0.000 0.276 177 L C 0.446 177.373 176.870 0.095 0.000 1.213 177 L CA 0.171 55.128 54.840 0.194 0.000 0.843 177 L CB 0.364 42.552 42.059 0.214 0.000 1.107 177 L HN 0.192 nan 8.230 nan 0.000 0.487 178 R N 1.953 122.469 120.500 0.026 0.000 2.799 178 R HA 0.789 5.137 4.340 0.013 0.000 0.270 178 R C -1.160 175.116 176.300 -0.041 0.000 1.010 178 R CA -0.969 55.129 56.100 -0.003 0.000 0.916 178 R CB 1.449 31.742 30.300 -0.011 0.000 1.228 178 R HN 0.518 nan 8.270 nan 0.000 0.469 179 A N 0.972 123.772 122.820 -0.033 0.000 2.462 179 A HA 0.529 4.857 4.320 0.013 0.000 0.243 179 A C 1.033 178.573 177.584 -0.073 0.000 1.076 179 A CA 0.973 52.982 52.037 -0.047 0.000 0.773 179 A CB -0.553 18.429 19.000 -0.031 0.000 1.010 179 A HN 1.394 nan 8.150 nan 0.000 0.493 180 G N 1.268 110.014 108.800 -0.091 0.000 2.488 180 G HA2 -0.170 3.798 3.960 0.013 0.000 0.237 180 G HA3 -0.170 3.798 3.960 0.013 0.000 0.237 180 G C -0.117 174.684 174.900 -0.165 0.000 1.209 180 G CA 0.193 45.228 45.100 -0.107 0.000 0.929 180 G HN 1.002 nan 8.290 nan 0.000 0.578 181 E N 1.355 121.460 120.200 -0.159 0.000 2.338 181 E HA 0.354 4.712 4.350 0.013 0.000 0.272 181 E C 0.058 176.493 176.600 -0.276 0.000 1.029 181 E CA -0.204 56.071 56.400 -0.210 0.000 0.872 181 E CB 0.387 30.003 29.700 -0.141 0.000 1.015 181 E HN 0.413 nan 8.360 nan 0.000 0.417 182 N N 2.347 120.760 118.700 -0.479 0.000 2.328 182 N HA 0.403 5.151 4.740 0.013 0.000 0.299 182 N C -0.918 174.383 175.510 -0.348 0.000 1.179 182 N CA -0.668 52.076 53.050 -0.511 0.000 0.793 182 N CB 2.159 40.056 38.487 -0.983 0.000 1.366 182 N HN 0.279 nan 8.380 nan 0.000 0.493 183 R N 1.430 121.871 120.500 -0.099 0.000 2.532 183 R HA 0.477 4.824 4.340 0.013 0.000 0.297 183 R C -1.252 175.136 176.300 0.147 0.000 0.984 183 R CA -0.486 55.629 56.100 0.026 0.000 0.884 183 R CB 1.038 31.310 30.300 -0.046 0.000 1.182 183 R HN 0.468 nan 8.270 nan 0.000 0.442 184 L N 3.130 124.472 121.223 0.200 0.000 2.322 184 L HA 0.738 5.086 4.340 0.013 0.000 0.279 184 L C -0.297 176.663 176.870 0.150 0.000 1.036 184 L CA -0.864 54.104 54.840 0.214 0.000 0.807 184 L CB 1.950 44.144 42.059 0.225 0.000 1.226 184 L HN 0.721 nan 8.230 nan 0.000 0.433 185 A N 3.433 126.355 122.820 0.171 0.000 2.357 185 A HA 0.738 5.065 4.320 0.013 0.000 0.295 185 A C -1.017 176.897 177.584 0.550 0.000 1.121 185 A CA -0.443 51.618 52.037 0.041 0.000 0.742 185 A CB 1.476 19.966 19.000 -0.851 0.000 1.181 185 A HN 0.380 nan 8.150 nan 0.000 0.454 186 V N 3.644 124.036 119.914 0.796 0.000 2.407 186 V HA 0.436 4.564 4.120 0.013 0.000 0.291 186 V C -0.055 176.570 176.094 0.884 0.000 1.018 186 V CA -0.275 62.468 62.300 0.739 0.000 0.842 186 V CB 1.496 33.575 31.823 0.427 0.000 0.996 186 V HN 0.960 nan 8.190 nan 0.000 0.426 187 M N 6.064 126.208 119.600 0.907 0.000 2.055 187 M HA 0.518 5.006 4.480 0.013 0.000 0.347 187 M C -1.299 175.259 176.300 0.429 0.000 1.123 187 M CA -0.362 55.301 55.300 0.605 0.000 1.035 187 M CB 1.024 34.036 32.600 0.688 0.000 1.484 187 M HN 0.473 nan 8.290 nan 0.000 0.428 188 V N 6.286 126.414 119.914 0.355 0.000 2.407 188 V HA 0.350 4.478 4.120 0.013 0.000 0.278 188 V C -0.110 176.149 176.094 0.275 0.000 1.037 188 V CA -0.893 61.618 62.300 0.351 0.000 0.900 188 V CB 1.305 33.445 31.823 0.529 0.000 0.983 188 V HN 0.638 nan 8.190 nan 0.000 0.459 189 L N 5.249 126.564 121.223 0.154 0.000 2.289 189 L HA 0.479 4.827 4.340 0.013 0.000 0.285 189 L C 1.389 178.280 176.870 0.035 0.000 1.049 189 L CA 0.219 55.071 54.840 0.019 0.000 0.804 189 L CB 0.696 42.662 42.059 -0.156 0.000 1.195 189 L HN 0.683 nan 8.230 nan 0.000 0.428 190 R N 2.801 123.277 120.500 -0.041 0.000 2.073 190 R HA -0.086 4.262 4.340 0.013 0.000 0.234 190 R C -0.306 175.709 176.300 -0.475 0.000 1.134 190 R CA 1.401 57.247 56.100 -0.423 0.000 0.952 190 R CB 0.258 30.161 30.300 -0.661 0.000 0.850 190 R HN 0.593 nan 8.270 nan 0.000 0.433 191 W N -0.087 121.270 121.300 0.094 0.000 2.689 191 W HA 0.402 5.070 4.660 0.013 0.000 0.340 191 W C -0.325 176.299 176.519 0.174 0.000 1.060 191 W CA -0.826 56.583 57.345 0.107 0.000 1.218 191 W CB 1.830 31.358 29.460 0.113 0.000 1.410 191 W HN 0.035 nan 8.180 nan 0.000 0.528 192 S N -1.182 114.803 115.700 0.476 0.000 2.672 192 S HA 0.195 4.673 4.470 0.013 0.000 0.271 192 S C 0.047 174.908 174.600 0.434 0.000 1.171 192 S CA -0.437 58.053 58.200 0.484 0.000 0.817 192 S CB 1.159 64.617 63.200 0.431 0.000 1.150 192 S HN 0.623 nan 8.310 nan 0.000 0.478 193 D N 0.316 120.975 120.400 0.431 0.000 2.264 193 D HA 0.082 4.730 4.640 0.013 0.000 0.208 193 D C 1.765 178.386 176.300 0.535 0.000 0.966 193 D CA 1.131 55.431 54.000 0.500 0.000 0.864 193 D CB -0.707 40.252 40.800 0.264 0.000 0.933 193 D HN 0.695 nan 8.370 nan 0.000 0.499 194 G N 0.167 109.197 108.800 0.382 0.000 2.448 194 G HA2 -0.267 3.701 3.960 0.013 0.000 0.219 194 G HA3 -0.267 3.701 3.960 0.013 0.000 0.219 194 G C 1.710 176.804 174.900 0.323 0.000 1.127 194 G CA 0.743 46.039 45.100 0.327 0.000 0.766 194 G HN 0.320 nan 8.290 nan 0.000 0.552 195 S N -0.064 115.812 115.700 0.293 0.000 2.419 195 S HA -0.102 4.376 4.470 0.013 0.000 0.233 195 S C 1.901 176.598 174.600 0.162 0.000 1.016 195 S CA 0.732 59.068 58.200 0.227 0.000 0.974 195 S CB -0.405 62.934 63.200 0.232 0.000 0.786 195 S HN 0.556 nan 8.310 nan 0.000 0.492 196 Y N 1.205 121.645 120.300 0.232 0.000 2.333 196 Y HA 0.045 4.603 4.550 0.013 0.000 0.290 196 Y C 1.600 177.619 175.900 0.199 0.000 1.144 196 Y CA 0.685 58.852 58.100 0.111 0.000 1.228 196 Y CB -0.196 38.205 38.460 -0.099 0.000 0.985 196 Y HN 0.197 nan 8.280 nan 0.000 0.542 197 L N -0.186 121.244 121.223 0.344 0.000 2.700 197 L HA 0.126 4.474 4.340 0.013 0.000 0.234 197 L C -0.046 176.965 176.870 0.236 0.000 1.156 197 L CA 0.409 55.402 54.840 0.256 0.000 0.946 197 L CB 0.028 42.240 42.059 0.256 0.000 1.216 197 L HN 0.163 nan 8.230 nan 0.000 0.493 198 E N -0.342 120.007 120.200 0.250 0.000 3.858 198 E HA 0.037 4.395 4.350 0.013 0.000 0.208 198 E C -0.461 176.242 176.600 0.173 0.000 1.041 198 E CA -0.071 56.458 56.400 0.215 0.000 1.368 198 E CB 0.506 30.327 29.700 0.201 0.000 1.176 198 E HN 0.026 nan 8.360 nan 0.000 0.448 199 D N 1.213 121.671 120.400 0.096 0.000 2.690 199 D HA 0.020 4.668 4.640 0.013 0.000 0.236 199 D C -0.227 176.062 176.300 -0.019 0.000 1.218 199 D CA -0.058 53.879 54.000 -0.104 0.000 0.829 199 D CB 0.128 40.593 40.800 -0.557 0.000 1.009 199 D HN 0.048 nan 8.370 nan 0.000 0.482 200 Q N 0.452 120.337 119.800 0.141 0.000 2.392 200 Q HA 0.125 4.473 4.340 0.013 0.000 0.262 200 Q C -0.119 176.011 176.000 0.217 0.000 1.003 200 Q CA 0.049 56.010 55.803 0.264 0.000 0.888 200 Q CB 0.572 29.630 28.738 0.533 0.000 1.260 200 Q HN 0.066 nan 8.270 nan 0.000 0.435 201 D N 3.078 123.632 120.400 0.257 0.000 2.398 201 D HA 0.209 4.857 4.640 0.013 0.000 0.250 201 D C -0.761 175.697 176.300 0.264 0.000 1.287 201 D CA 0.107 54.231 54.000 0.206 0.000 0.992 201 D CB -0.402 40.502 40.800 0.175 0.000 1.071 201 D HN 0.515 nan 8.370 nan 0.000 0.514 202 M N 0.739 120.465 119.600 0.210 0.000 2.956 202 M HA 0.335 4.822 4.480 0.013 0.000 0.272 202 M C -1.410 174.992 176.300 0.171 0.000 1.132 202 M CA -1.127 54.223 55.300 0.083 0.000 0.805 202 M CB 0.902 33.489 32.600 -0.022 0.000 1.639 202 M HN -0.066 nan 8.290 nan 0.000 0.520 203 W N 1.847 123.241 121.300 0.157 0.000 2.231 203 W HA 0.313 4.981 4.660 0.013 0.000 0.341 203 W C 0.330 176.878 176.519 0.048 0.000 1.298 203 W CA 0.083 57.516 57.345 0.146 0.000 1.266 203 W CB 0.293 29.773 29.460 0.033 0.000 1.172 203 W HN 0.316 nan 8.180 nan 0.000 0.568 204 R N 4.421 125.108 120.500 0.311 0.000 2.215 204 R HA 0.433 4.781 4.340 0.013 0.000 0.337 204 R C -0.163 176.143 176.300 0.009 0.000 1.010 204 R CA -0.268 55.927 56.100 0.159 0.000 0.871 204 R CB 0.211 30.680 30.300 0.282 0.000 1.134 204 R HN 0.560 nan 8.270 nan 0.000 0.477 205 M N 0.179 119.673 119.600 -0.177 0.000 2.752 205 M HA 0.539 5.027 4.480 0.013 0.000 0.285 205 M C -0.047 175.903 176.300 -0.584 0.000 1.140 205 M CA -0.846 54.233 55.300 -0.369 0.000 0.767 205 M CB 2.233 34.611 32.600 -0.370 0.000 1.736 205 M HN 0.616 nan 8.290 nan 0.000 0.452 206 S N -1.323 113.887 115.700 -0.816 0.000 2.636 206 S HA 0.942 5.420 4.470 0.013 0.000 0.268 206 S C -0.587 173.456 174.600 -0.927 0.000 1.159 206 S CA -0.195 57.448 58.200 -0.929 0.000 0.815 206 S CB 1.681 64.139 63.200 -1.236 0.000 1.130 206 S HN 1.504 nan 8.310 nan 0.000 0.471 207 G N -0.054 108.443 108.800 -0.506 0.000 2.331 207 G HA2 0.169 4.137 3.960 0.013 0.000 0.479 207 G HA3 0.169 4.137 3.960 0.013 0.000 0.479 207 G C -1.517 173.364 174.900 -0.032 0.000 1.262 207 G CA -0.576 44.549 45.100 0.042 0.000 1.029 207 G HN 1.174 nan 8.290 nan 0.000 0.487 208 I N 2.083 122.498 120.570 -0.259 0.000 2.276 208 I HA 0.304 4.482 4.170 0.013 0.000 0.290 208 I C 1.052 177.027 176.117 -0.236 0.000 1.109 208 I CA -0.261 60.780 61.300 -0.431 0.000 1.229 208 I CB -0.036 37.418 38.000 -0.910 0.000 1.452 208 I HN 0.528 nan 8.210 nan 0.000 0.497 209 F N 4.386 124.176 119.950 -0.268 0.000 2.695 209 F HA 0.466 5.000 4.527 0.013 0.000 0.303 209 F C 0.708 176.423 175.800 -0.142 0.000 1.091 209 F CA -0.500 57.379 58.000 -0.202 0.000 1.300 209 F CB 0.166 39.050 39.000 -0.193 0.000 1.071 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.594 120.646 120.500 -0.746 0.000 2.930 210 R HA 0.242 4.589 4.340 0.013 0.000 0.257 210 R C -0.653 175.439 176.300 -0.348 0.000 1.107 210 R CA -1.130 54.648 56.100 -0.537 0.000 0.999 210 R CB 0.788 30.683 30.300 -0.675 0.000 1.209 210 R HN -0.015 nan 8.270 nan 0.000 0.486 211 D N 0.618 120.868 120.400 -0.250 0.000 2.390 211 D HA 0.103 4.751 4.640 0.013 0.000 0.236 211 D C -0.447 175.716 176.300 -0.229 0.000 1.189 211 D CA 0.423 54.312 54.000 -0.185 0.000 0.887 211 D CB 0.708 41.440 40.800 -0.114 0.000 1.198 211 D HN -0.022 nan 8.370 nan 0.000 0.444 212 V N 0.883 120.674 119.914 -0.205 0.000 2.656 212 V HA 0.536 4.664 4.120 0.013 0.000 0.307 212 V C -0.078 175.906 176.094 -0.183 0.000 1.051 212 V CA -0.502 61.617 62.300 -0.302 0.000 0.893 212 V CB 1.984 33.621 31.823 -0.310 0.000 0.999 212 V HN 0.575 nan 8.190 nan 0.000 0.426 213 S N 3.997 119.564 115.700 -0.223 0.000 2.651 213 S HA 0.787 5.265 4.470 0.013 0.000 0.279 213 S C -1.161 173.375 174.600 -0.108 0.000 1.148 213 S CA -0.762 57.371 58.200 -0.111 0.000 0.837 213 S CB 1.980 65.142 63.200 -0.063 0.000 1.138 213 S HN 0.506 nan 8.310 nan 0.000 0.478 214 L N 1.866 123.086 121.223 -0.004 0.000 2.362 214 L HA 0.691 5.039 4.340 0.013 0.000 0.275 214 L C -1.465 175.476 176.870 0.118 0.000 0.998 214 L CA -0.790 54.098 54.840 0.080 0.000 0.820 214 L CB 1.659 43.857 42.059 0.231 0.000 1.270 214 L HN 0.473 nan 8.230 nan 0.000 0.415 215 L N 3.178 124.417 121.223 0.027 0.000 2.409 215 L HA 0.436 4.784 4.340 0.013 0.000 0.272 215 L C -0.878 175.862 176.870 -0.216 0.000 0.980 215 L CA -0.098 54.704 54.840 -0.063 0.000 0.826 215 L CB 1.527 43.574 42.059 -0.021 0.000 1.268 215 L HN 0.523 nan 8.230 nan 0.000 0.407 216 H N 5.534 124.256 119.070 -0.580 0.000 2.623 216 H HA 0.420 4.984 4.556 0.013 0.000 0.299 216 H C -1.102 173.953 175.328 -0.455 0.000 1.052 216 H CA -0.721 54.844 56.048 -0.806 0.000 1.231 216 H CB 0.888 29.519 29.762 -1.885 0.000 1.389 216 H HN 0.525 nan 8.280 nan 0.000 0.469 217 K N 5.159 125.188 120.400 -0.619 0.000 2.166 217 K HA 0.377 4.705 4.320 0.013 0.000 0.245 217 K C -2.584 173.696 176.600 -0.533 0.000 0.967 217 K CA -1.986 54.022 56.287 -0.465 0.000 0.863 217 K CB 1.734 34.054 32.500 -0.300 0.000 1.107 217 K HN 0.495 nan 8.250 nan 0.000 0.436 218 P HA 0.067 nan 4.420 nan 0.000 0.274 218 P C 0.720 177.906 177.300 -0.190 0.000 1.246 218 P CA -0.093 62.858 63.100 -0.247 0.000 0.795 218 P CB 0.311 31.925 31.700 -0.143 0.000 1.006 219 T N -3.303 111.173 114.554 -0.131 0.000 2.904 219 T HA -0.028 4.330 4.350 0.013 0.000 0.267 219 T C 0.670 175.317 174.700 -0.090 0.000 1.059 219 T CA 1.205 63.249 62.100 -0.094 0.000 1.137 219 T CB -0.958 67.875 68.868 -0.058 0.000 0.879 219 T HN 0.284 nan 8.240 nan 0.000 0.467 220 T N 3.227 117.732 114.554 -0.083 0.000 2.753 220 T HA 0.502 4.860 4.350 0.013 0.000 0.297 220 T C -0.419 174.224 174.700 -0.094 0.000 0.981 220 T CA -0.767 61.279 62.100 -0.091 0.000 0.956 220 T CB 0.909 69.737 68.868 -0.066 0.000 0.936 220 T HN 0.693 nan 8.240 nan 0.000 0.463 221 Q N 2.491 122.224 119.800 -0.113 0.000 2.565 221 Q HA 0.623 4.971 4.340 0.013 0.000 0.294 221 Q C -1.183 174.754 176.000 -0.104 0.000 1.005 221 Q CA -1.186 54.544 55.803 -0.121 0.000 0.771 221 Q CB 1.308 29.948 28.738 -0.162 0.000 1.486 221 Q HN 0.444 nan 8.270 nan 0.000 0.422 222 I N 2.487 122.975 120.570 -0.137 0.000 2.452 222 I HA 0.025 4.203 4.170 0.013 0.000 0.287 222 I C 0.666 176.693 176.117 -0.151 0.000 1.079 222 I CA 0.075 61.316 61.300 -0.098 0.000 1.387 222 I CB 1.062 38.970 38.000 -0.154 0.000 1.404 222 I HN 0.876 nan 8.210 nan 0.000 0.522 223 S N 2.575 118.292 115.700 0.029 0.000 2.512 223 S HA 0.230 4.708 4.470 0.013 0.000 0.216 223 S C 0.106 174.915 174.600 0.349 0.000 1.006 223 S CA -0.312 57.967 58.200 0.132 0.000 0.915 223 S CB 0.292 63.531 63.200 0.066 0.000 0.824 223 S HN 0.717 nan 8.310 nan 0.000 0.497 224 D N -0.213 120.393 120.400 0.344 0.000 2.728 224 D HA 0.498 5.146 4.640 0.013 0.000 0.249 224 D C -1.935 174.559 176.300 0.323 0.000 1.225 224 D CA -0.701 53.511 54.000 0.353 0.000 0.748 224 D CB 1.403 42.312 40.800 0.181 0.000 1.326 224 D HN 0.205 nan 8.370 nan 0.000 0.426 225 F N -0.589 119.431 119.950 0.117 0.000 2.635 225 F HA 0.603 5.138 4.527 0.013 0.000 0.314 225 F C -1.599 174.278 175.800 0.129 0.000 1.119 225 F CA -0.782 57.214 58.000 -0.008 0.000 1.000 225 F CB 1.214 40.251 39.000 0.061 0.000 1.278 225 F HN 0.254 nan 8.300 nan 0.000 0.446 226 H N 2.092 121.264 119.070 0.169 0.000 2.529 226 H HA 0.731 5.295 4.556 0.013 0.000 0.348 226 H C -1.275 174.106 175.328 0.088 0.000 1.079 226 H CA -1.494 54.575 56.048 0.033 0.000 1.198 226 H CB 2.586 32.340 29.762 -0.014 0.000 1.521 226 H HN 0.607 nan 8.280 nan 0.000 0.514 227 V N 2.427 122.449 119.914 0.180 0.000 2.417 227 V HA 0.670 4.798 4.120 0.013 0.000 0.291 227 V C -0.163 175.927 176.094 -0.007 0.000 1.024 227 V CA -0.534 61.815 62.300 0.082 0.000 0.861 227 V CB 1.235 33.099 31.823 0.069 0.000 0.985 227 V HN 0.931 nan 8.190 nan 0.000 0.436 228 A N 3.329 126.122 122.820 -0.045 0.000 2.454 228 A HA 0.957 5.285 4.320 0.013 0.000 0.302 228 A C -0.187 177.302 177.584 -0.158 0.000 1.079 228 A CA -0.518 51.473 52.037 -0.078 0.000 0.731 228 A CB 2.094 21.070 19.000 -0.040 0.000 1.299 228 A HN 0.916 nan 8.150 nan 0.000 0.413 229 T N -0.587 113.858 114.554 -0.181 0.000 2.881 229 T HA 0.700 5.058 4.350 0.013 0.000 0.291 229 T C -0.452 174.039 174.700 -0.349 0.000 0.990 229 T CA -0.784 61.126 62.100 -0.318 0.000 0.976 229 T CB 1.006 69.608 68.868 -0.443 0.000 0.970 229 T HN 1.047 nan 8.240 nan 0.000 0.438 230 R N 1.829 122.045 120.500 -0.474 0.000 2.832 230 R HA 0.865 5.213 4.340 0.013 0.000 0.271 230 R C -1.619 174.249 176.300 -0.721 0.000 0.996 230 R CA -0.943 54.930 56.100 -0.378 0.000 0.977 230 R CB 1.276 31.493 30.300 -0.139 0.000 1.168 230 R HN 0.469 nan 8.270 nan 0.000 0.482 231 F N 0.176 120.104 119.950 -0.038 0.000 2.640 231 F HA 0.389 4.923 4.527 0.012 0.000 0.324 231 F C 0.158 175.824 175.800 -0.223 0.000 1.077 231 F CA -1.066 56.853 58.000 -0.135 0.000 0.965 231 F CB 1.290 40.092 39.000 -0.330 0.000 1.351 231 F HN 0.723 nan 8.300 nan 0.000 0.487 232 N N -0.088 118.600 118.700 -0.019 0.000 2.418 232 N HA 0.075 4.823 4.740 0.013 0.000 0.283 232 N C 0.482 175.867 175.510 -0.208 0.000 1.267 232 N CA -0.106 52.894 53.050 -0.083 0.000 0.975 232 N CB -0.064 38.401 38.487 -0.036 0.000 1.167 232 N HN 0.650 nan 8.380 nan 0.000 0.581 233 D N -1.102 119.222 120.400 -0.127 0.000 2.133 233 D HA -0.251 4.397 4.640 0.013 0.000 0.195 233 D C 0.355 176.579 176.300 -0.127 0.000 0.997 233 D CA 1.780 55.707 54.000 -0.122 0.000 0.840 233 D CB -0.620 40.160 40.800 -0.033 0.000 0.947 233 D HN 0.749 nan 8.370 nan 0.000 0.452 234 D N -1.820 118.552 120.400 -0.047 0.000 2.462 234 D HA 0.044 4.692 4.640 0.013 0.000 0.221 234 D C 0.065 176.512 176.300 0.245 0.000 1.173 234 D CA -0.947 53.126 54.000 0.122 0.000 0.831 234 D CB -0.945 39.929 40.800 0.122 0.000 1.001 234 D HN 0.220 nan 8.370 nan 0.000 0.499 235 F N 0.244 120.251 119.950 0.094 0.000 2.953 235 F HA -0.284 4.250 4.527 0.011 0.000 0.292 235 F C 1.564 177.440 175.800 0.127 0.000 0.747 235 F CA 0.810 58.869 58.000 0.099 0.000 1.222 235 F CB -2.455 36.497 39.000 -0.079 0.000 1.457 235 F HN 0.214 nan 8.300 nan 0.000 0.383 236 S N -1.298 114.512 115.700 0.183 0.000 2.548 236 S HA 0.329 4.806 4.470 0.013 0.000 0.215 236 S C 0.633 175.294 174.600 0.102 0.000 0.976 236 S CA -0.085 58.195 58.200 0.133 0.000 0.908 236 S CB 0.477 63.730 63.200 0.090 0.000 0.781 236 S HN 0.435 nan 8.310 nan 0.000 0.519 237 R N -0.008 120.562 120.500 0.117 0.000 2.698 237 R HA 0.809 5.157 4.340 0.013 0.000 0.275 237 R C -1.411 174.933 176.300 0.073 0.000 1.001 237 R CA -0.369 55.766 56.100 0.058 0.000 0.896 237 R CB 2.286 32.593 30.300 0.011 0.000 1.218 237 R HN 0.254 nan 8.270 nan 0.000 0.462 238 A N 1.343 124.143 122.820 -0.035 0.000 2.587 238 A HA 0.705 5.033 4.320 0.013 0.000 0.293 238 A C -1.429 176.073 177.584 -0.137 0.000 1.087 238 A CA -0.616 51.316 52.037 -0.176 0.000 0.692 238 A CB 2.041 20.895 19.000 -0.243 0.000 1.291 238 A HN 0.320 nan 8.150 nan 0.000 0.407 239 V N 1.487 121.290 119.914 -0.184 0.000 2.448 239 V HA 0.462 4.590 4.120 0.013 0.000 0.295 239 V C -0.442 175.586 176.094 -0.110 0.000 1.025 239 V CA -0.372 61.861 62.300 -0.113 0.000 0.859 239 V CB 1.375 33.135 31.823 -0.105 0.000 0.988 239 V HN 0.788 nan 8.190 nan 0.000 0.431 240 L N 4.734 125.932 121.223 -0.042 0.000 2.264 240 L HA 0.622 4.970 4.340 0.013 0.000 0.289 240 L C -0.009 176.820 176.870 -0.069 0.000 1.044 240 L CA -0.048 54.748 54.840 -0.073 0.000 0.807 240 L CB 1.142 43.185 42.059 -0.026 0.000 1.192 240 L HN 0.823 nan 8.230 nan 0.000 0.425 241 E N 4.669 124.824 120.200 -0.075 0.000 2.176 241 E HA 0.667 5.025 4.350 0.013 0.000 0.267 241 E C -1.489 175.097 176.600 -0.023 0.000 0.893 241 E CA -0.786 55.585 56.400 -0.047 0.000 0.761 241 E CB 1.766 31.439 29.700 -0.045 0.000 1.133 241 E HN 0.709 nan 8.360 nan 0.000 0.409 242 A N 4.696 127.507 122.820 -0.015 0.000 2.340 242 A HA 0.300 4.628 4.320 0.013 0.000 0.297 242 A C -0.703 176.877 177.584 -0.005 0.000 1.195 242 A CA -0.675 51.374 52.037 0.019 0.000 0.769 242 A CB 1.097 20.106 19.000 0.016 0.000 1.163 242 A HN 0.755 nan 8.150 nan 0.000 0.472 243 E N 2.423 122.619 120.200 -0.006 0.000 2.200 243 E HA 0.518 4.876 4.350 0.013 0.000 0.283 243 E C -1.216 175.331 176.600 -0.088 0.000 1.015 243 E CA -0.301 56.051 56.400 -0.080 0.000 0.819 243 E CB 1.025 30.643 29.700 -0.137 0.000 1.081 243 E HN 0.395 nan 8.360 nan 0.000 0.397 244 V N 4.908 124.788 119.914 -0.058 0.000 2.540 244 V HA 0.271 4.399 4.120 0.013 0.000 0.302 244 V C -0.408 175.731 176.094 0.076 0.000 1.035 244 V CA -0.836 61.473 62.300 0.016 0.000 0.873 244 V CB 1.674 33.487 31.823 -0.017 0.000 0.992 244 V HN 0.723 nan 8.190 nan 0.000 0.428 245 Q N 4.211 124.070 119.800 0.097 0.000 2.309 245 Q HA 0.798 5.145 4.340 0.013 0.000 0.264 245 Q C -0.753 175.330 176.000 0.138 0.000 1.008 245 Q CA -0.838 55.031 55.803 0.111 0.000 0.853 245 Q CB 2.584 31.328 28.738 0.011 0.000 1.314 245 Q HN 0.821 nan 8.270 nan 0.000 0.448 246 M N -0.746 118.881 119.600 0.046 0.000 2.716 246 M HA 0.731 5.219 4.480 0.013 0.000 0.307 246 M C -1.255 174.967 176.300 -0.130 0.000 1.223 246 M CA -0.547 54.692 55.300 -0.101 0.000 0.871 246 M CB 1.597 33.939 32.600 -0.430 0.000 1.739 246 M HN 0.488 nan 8.290 nan 0.000 0.475 247 C N 0.940 120.165 119.300 -0.124 0.000 2.634 247 C HA 1.026 5.494 4.460 0.013 0.000 0.313 247 C C 0.465 175.378 174.990 -0.128 0.000 1.198 247 C CA 0.631 59.589 59.018 -0.100 0.000 1.605 247 C CB 0.919 28.624 27.740 -0.059 0.000 2.196 247 C HN 1.389 nan 8.230 nan 0.000 0.486 248 G N 2.102 110.833 108.800 -0.115 0.000 2.373 248 G HA2 0.041 4.009 3.960 0.013 0.000 0.634 248 G HA3 0.041 4.009 3.960 0.013 0.000 0.634 248 G C -1.137 173.683 174.900 -0.133 0.000 1.267 248 G CA -0.650 44.383 45.100 -0.112 0.000 1.008 248 G HN 0.882 nan 8.290 nan 0.000 0.497 249 E N -0.079 120.050 120.200 -0.118 0.000 2.223 249 E HA 0.416 4.774 4.350 0.013 0.000 0.282 249 E C 0.355 176.845 176.600 -0.183 0.000 1.046 249 E CA -0.415 55.910 56.400 -0.125 0.000 0.857 249 E CB 0.391 30.040 29.700 -0.085 0.000 1.055 249 E HN 0.429 nan 8.360 nan 0.000 0.409 250 L N 4.867 125.969 121.223 -0.201 0.000 2.397 250 L HA 0.323 4.671 4.340 0.013 0.000 0.271 250 L C 0.632 177.353 176.870 -0.248 0.000 1.148 250 L CA 0.051 54.740 54.840 -0.252 0.000 0.825 250 L CB 0.590 42.525 42.059 -0.208 0.000 1.117 250 L HN 0.443 nan 8.230 nan 0.000 0.456 251 R N 1.362 121.657 120.500 -0.341 0.000 2.651 251 R HA 0.165 4.512 4.340 0.013 0.000 0.278 251 R C -0.452 175.574 176.300 -0.457 0.000 1.010 251 R CA -0.843 54.957 56.100 -0.500 0.000 0.896 251 R CB 1.917 31.623 30.300 -0.990 0.000 1.211 251 R HN 0.557 nan 8.270 nan 0.000 0.456 252 D N 1.195 121.417 120.400 -0.296 0.000 2.265 252 D HA -0.166 4.482 4.640 0.013 0.000 0.208 252 D C 1.488 177.738 176.300 -0.084 0.000 0.977 252 D CA 1.590 55.509 54.000 -0.134 0.000 0.871 252 D CB 0.053 40.826 40.800 -0.044 0.000 0.925 252 D HN 0.571 nan 8.370 nan 0.000 0.485 253 Y N -0.227 120.080 120.300 0.012 0.000 2.546 253 Y HA 0.259 4.817 4.550 0.013 0.000 0.287 253 Y C 0.752 176.650 175.900 -0.004 0.000 1.158 253 Y CA -0.500 57.603 58.100 0.006 0.000 1.307 253 Y CB -0.969 37.495 38.460 0.008 0.000 1.036 253 Y HN -0.185 nan 8.280 nan 0.000 0.532 254 L N 2.242 123.465 121.223 -0.000 0.000 2.452 254 L HA 0.346 4.694 4.340 0.013 0.000 0.267 254 L C 0.265 177.145 176.870 0.017 0.000 1.188 254 L CA -0.253 54.644 54.840 0.096 0.000 0.821 254 L CB 0.468 42.597 42.059 0.116 0.000 1.102 254 L HN 0.114 nan 8.230 nan 0.000 0.470 255 R N 1.109 121.503 120.500 -0.175 0.000 2.739 255 R HA 0.670 5.018 4.340 0.013 0.000 0.271 255 R C -1.571 174.424 176.300 -0.508 0.000 1.010 255 R CA -0.806 55.054 56.100 -0.401 0.000 0.897 255 R CB 2.086 32.021 30.300 -0.608 0.000 1.236 255 R HN 0.269 nan 8.270 nan 0.000 0.466 256 V N 0.893 120.549 119.914 -0.431 0.000 2.540 256 V HA 0.496 4.624 4.120 0.013 0.000 0.302 256 V C -0.230 175.834 176.094 -0.050 0.000 1.035 256 V CA -0.570 61.576 62.300 -0.258 0.000 0.873 256 V CB 2.213 33.809 31.823 -0.378 0.000 0.992 256 V HN 0.697 nan 8.190 nan 0.000 0.428 257 T N 4.018 118.652 114.554 0.133 0.000 2.807 257 T HA 0.609 4.967 4.350 0.013 0.000 0.279 257 T C -0.611 174.092 174.700 0.006 0.000 0.993 257 T CA -0.322 61.833 62.100 0.091 0.000 0.970 257 T CB 1.655 70.583 68.868 0.099 0.000 0.950 257 T HN 0.349 nan 8.240 nan 0.000 0.441 258 V N 3.328 123.226 119.914 -0.027 0.000 2.448 258 V HA 0.571 4.699 4.120 0.013 0.000 0.295 258 V C -0.144 175.938 176.094 -0.021 0.000 1.025 258 V CA -0.568 61.710 62.300 -0.036 0.000 0.859 258 V CB 1.911 33.703 31.823 -0.052 0.000 0.988 258 V HN 0.935 nan 8.190 nan 0.000 0.431 259 S N 4.761 120.473 115.700 0.021 0.000 2.513 259 S HA 0.742 5.219 4.470 0.013 0.000 0.299 259 S C -0.873 173.762 174.600 0.059 0.000 1.087 259 S CA -0.464 57.733 58.200 -0.004 0.000 1.012 259 S CB 1.788 65.034 63.200 0.077 0.000 1.044 259 S HN 0.553 nan 8.310 nan 0.000 0.485 260 L N 3.048 124.220 121.223 -0.085 0.000 2.322 260 L HA 0.722 5.069 4.340 0.013 0.000 0.281 260 L C -1.922 174.926 176.870 -0.037 0.000 1.014 260 L CA -0.127 54.749 54.840 0.059 0.000 0.815 260 L CB 0.665 42.750 42.059 0.042 0.000 1.247 260 L HN 0.712 nan 8.230 nan 0.000 0.421 261 W N 3.426 124.826 121.300 0.167 0.000 2.761 261 W HA 0.576 5.243 4.660 0.013 0.000 0.340 261 W C -0.550 176.105 176.519 0.227 0.000 1.072 261 W CA -0.460 56.974 57.345 0.150 0.000 1.215 261 W CB 1.412 30.907 29.460 0.057 0.000 1.420 261 W HN 0.394 nan 8.180 nan 0.000 0.519 262 Q N 2.475 122.482 119.800 0.345 0.000 2.456 262 Q HA 0.481 4.829 4.340 0.013 0.000 0.252 262 Q C 0.688 176.748 176.000 0.101 0.000 1.042 262 Q CA 0.495 56.349 55.803 0.086 0.000 0.766 262 Q CB 0.550 29.293 28.738 0.010 0.000 1.196 262 Q HN 0.783 nan 8.270 nan 0.000 0.504 263 G N 3.189 112.034 108.800 0.075 0.000 2.550 263 G HA2 -0.362 3.606 3.960 0.013 0.000 0.277 263 G HA3 -0.362 3.606 3.960 0.013 0.000 0.277 263 G C 0.228 175.214 174.900 0.144 0.000 1.190 263 G CA 0.353 45.492 45.100 0.064 0.000 0.971 263 G HN 0.706 nan 8.290 nan 0.000 0.559 264 E N 0.665 120.941 120.200 0.127 0.000 2.465 264 E HA 0.251 4.609 4.350 0.013 0.000 0.191 264 E C 0.279 177.097 176.600 0.364 0.000 1.053 264 E CA 0.499 57.003 56.400 0.172 0.000 0.869 264 E CB 0.253 29.995 29.700 0.069 0.000 0.977 264 E HN 0.320 nan 8.360 nan 0.000 0.483 265 T N 1.141 115.892 114.554 0.329 0.000 2.767 265 T HA 0.128 4.486 4.350 0.013 0.000 0.284 265 T C -0.389 174.354 174.700 0.073 0.000 0.973 265 T CA -0.478 61.745 62.100 0.206 0.000 0.996 265 T CB 1.480 70.402 68.868 0.090 0.000 0.927 265 T HN 0.031 nan 8.240 nan 0.000 0.456 266 Q N 2.833 122.415 119.800 -0.364 0.000 2.295 266 Q HA 0.302 4.650 4.340 0.013 0.000 0.259 266 Q C 0.961 176.708 176.000 -0.422 0.000 0.976 266 Q CA -0.419 54.818 55.803 -0.944 0.000 0.923 266 Q CB 0.788 28.682 28.738 -1.407 0.000 1.185 266 Q HN 0.695 nan 8.270 nan 0.000 0.410 267 V N 0.904 120.641 119.914 -0.295 0.000 3.431 267 V HA 0.607 4.735 4.120 0.013 0.000 0.253 267 V C 0.219 176.220 176.094 -0.156 0.000 1.184 267 V CA 0.742 62.957 62.300 -0.142 0.000 1.104 267 V CB 0.272 32.092 31.823 -0.005 0.000 0.799 267 V HN 0.630 nan 8.190 nan 0.000 0.462 268 A N -0.762 121.937 122.820 -0.201 0.000 2.612 268 A HA 0.835 5.162 4.320 0.013 0.000 0.293 268 A C -0.673 176.809 177.584 -0.170 0.000 1.075 268 A CA 0.211 52.157 52.037 -0.153 0.000 0.680 268 A CB 1.661 20.599 19.000 -0.104 0.000 1.279 268 A HN 0.666 nan 8.150 nan 0.000 0.411 269 S N -1.005 114.619 115.700 -0.127 0.000 2.547 269 S HA 0.808 5.286 4.470 0.013 0.000 0.270 269 S C -0.613 173.943 174.600 -0.074 0.000 1.150 269 S CA 0.192 58.327 58.200 -0.110 0.000 0.850 269 S CB 1.716 64.837 63.200 -0.132 0.000 1.118 269 S HN 2.312 nan 8.310 nan 0.000 0.461 270 G N 1.355 110.120 108.800 -0.057 0.000 2.706 270 G HA2 0.647 4.615 3.960 0.013 0.000 0.297 270 G HA3 0.647 4.615 3.960 0.013 0.000 0.297 270 G C -1.414 173.465 174.900 -0.035 0.000 1.403 270 G CA -0.370 44.701 45.100 -0.048 0.000 0.954 270 G HN 0.698 nan 8.290 nan 0.000 0.500 271 T N -0.214 114.324 114.554 -0.027 0.000 2.900 271 T HA 0.864 5.222 4.350 0.013 0.000 0.295 271 T C -0.342 174.329 174.700 -0.048 0.000 1.044 271 T CA 0.020 62.115 62.100 -0.009 0.000 0.995 271 T CB 1.855 70.750 68.868 0.045 0.000 1.072 271 T HN 1.546 nan 8.240 nan 0.000 0.473 272 A N 3.068 125.830 122.820 -0.097 0.000 2.612 272 A HA 0.909 5.236 4.320 0.013 0.000 0.293 272 A C -3.102 174.369 177.584 -0.187 0.000 1.075 272 A CA -1.570 50.394 52.037 -0.121 0.000 0.680 272 A CB 1.204 20.128 19.000 -0.127 0.000 1.279 272 A HN 0.534 nan 8.150 nan 0.000 0.411 273 P HA 0.528 nan 4.420 nan 0.000 0.276 273 P C -0.581 176.622 177.300 -0.160 0.000 1.261 273 P CA -0.261 62.768 63.100 -0.117 0.000 0.800 273 P CB 0.308 31.991 31.700 -0.029 0.000 1.066 274 F N -0.081 119.832 119.950 -0.062 0.000 2.444 274 F HA 0.463 4.998 4.527 0.013 0.000 0.331 274 F C 1.474 177.257 175.800 -0.029 0.000 1.167 274 F CA 1.577 59.549 58.000 -0.046 0.000 1.262 274 F CB 0.170 39.139 39.000 -0.053 0.000 1.196 274 F HN 0.573 nan 8.300 nan 0.000 0.583 275 G N 1.538 110.455 108.800 0.195 0.000 2.781 275 G HA2 0.344 4.312 3.960 0.013 0.000 0.468 275 G HA3 0.344 4.312 3.960 0.013 0.000 0.468 275 G C -0.439 174.509 174.900 0.080 0.000 1.186 275 G CA -0.750 44.422 45.100 0.121 0.000 1.220 275 G HN 1.036 nan 8.290 nan 0.000 0.564 276 G N 0.980 109.847 108.800 0.112 0.000 2.616 276 G HA2 0.626 4.594 3.960 0.013 0.000 0.268 276 G HA3 0.626 4.594 3.960 0.013 0.000 0.268 276 G C 0.460 175.401 174.900 0.069 0.000 1.213 276 G CA -0.272 44.883 45.100 0.093 0.000 0.926 276 G HN 0.858 nan 8.290 nan 0.000 0.523 277 E N -0.249 119.984 120.200 0.055 0.000 2.418 277 E HA 0.009 4.367 4.350 0.013 0.000 0.261 277 E C 0.161 176.787 176.600 0.043 0.000 1.070 277 E CA -0.146 56.276 56.400 0.038 0.000 0.931 277 E CB 1.006 30.726 29.700 0.032 0.000 0.954 277 E HN 0.298 nan 8.360 nan 0.000 0.439 278 I N 1.861 122.445 120.570 0.023 0.000 2.710 278 I HA -0.123 4.055 4.170 0.013 0.000 0.286 278 I C 1.532 177.660 176.117 0.019 0.000 1.181 278 I CA 0.427 61.734 61.300 0.011 0.000 1.430 278 I CB 0.237 38.237 38.000 0.001 0.000 1.367 278 I HN 0.581 nan 8.210 nan 0.000 0.577 279 I N 1.622 122.198 120.570 0.010 0.000 4.139 279 I HA 0.319 4.497 4.170 0.013 0.000 0.320 279 I C -0.128 175.991 176.117 0.003 0.000 1.290 279 I CA 0.100 61.414 61.300 0.023 0.000 1.253 279 I CB 0.472 38.515 38.000 0.073 0.000 1.122 279 I HN 0.633 nan 8.210 nan 0.000 0.421 280 D N -0.534 119.854 120.400 -0.020 0.000 2.851 280 D HA 0.160 4.808 4.640 0.013 0.000 0.339 280 D C 0.271 176.554 176.300 -0.027 0.000 1.347 280 D CA -0.478 53.510 54.000 -0.019 0.000 0.888 280 D CB 0.417 41.204 40.800 -0.020 0.000 1.431 280 D HN -0.126 nan 8.370 nan 0.000 0.509 281 E N -1.026 119.160 120.200 -0.024 0.000 2.267 281 E HA -0.043 4.315 4.350 0.013 0.000 0.197 281 E C 1.256 177.837 176.600 -0.032 0.000 0.998 281 E CA 0.982 57.368 56.400 -0.023 0.000 0.830 281 E CB -0.029 29.660 29.700 -0.018 0.000 0.751 281 E HN 0.211 nan 8.360 nan 0.000 0.491 282 R N -0.368 120.103 120.500 -0.047 0.000 2.334 282 R HA 0.301 4.648 4.340 0.013 0.000 0.216 282 R C 0.799 177.056 176.300 -0.072 0.000 0.905 282 R CA 0.670 56.735 56.100 -0.059 0.000 1.064 282 R CB 0.593 30.851 30.300 -0.070 0.000 1.046 282 R HN 0.208 nan 8.270 nan 0.000 0.508 283 G N -0.547 108.213 108.800 -0.067 0.000 2.408 283 G HA2 -0.124 3.844 3.960 0.013 0.000 0.204 283 G HA3 -0.124 3.844 3.960 0.013 0.000 0.204 283 G C -0.225 174.623 174.900 -0.086 0.000 1.186 283 G CA -0.616 44.445 45.100 -0.064 0.000 1.139 283 G HN 0.465 nan 8.290 nan 0.000 0.563 284 G N -1.977 106.771 108.800 -0.086 0.000 3.140 284 G HA2 0.641 4.609 3.960 0.013 0.000 0.271 284 G HA3 0.641 4.609 3.960 0.013 0.000 0.271 284 G C -1.577 173.243 174.900 -0.133 0.000 1.370 284 G CA -0.729 44.329 45.100 -0.070 0.000 1.014 284 G HN 0.761 nan 8.290 nan 0.000 0.541 285 Y N 0.996 121.307 120.300 0.018 0.000 2.477 285 Y HA 0.418 4.976 4.550 0.013 0.000 0.349 285 Y C 1.424 177.346 175.900 0.036 0.000 0.977 285 Y CA 0.096 58.210 58.100 0.023 0.000 1.214 285 Y CB 1.682 40.162 38.460 0.033 0.000 1.124 285 Y HN 0.543 nan 8.280 nan 0.000 0.521 286 A N 1.690 124.579 122.820 0.116 0.000 2.168 286 A HA -0.124 4.203 4.320 0.013 0.000 0.215 286 A C 1.290 178.941 177.584 0.112 0.000 1.152 286 A CA 1.261 53.354 52.037 0.093 0.000 0.716 286 A CB -0.286 18.726 19.000 0.020 0.000 0.794 286 A HN 0.781 nan 8.150 nan 0.000 0.465 287 D N -0.856 119.614 120.400 0.118 0.000 2.388 287 D HA 0.138 4.785 4.640 0.013 0.000 0.221 287 D C 0.495 176.905 176.300 0.183 0.000 1.133 287 D CA -0.062 53.933 54.000 -0.008 0.000 0.831 287 D CB 0.006 40.778 40.800 -0.048 0.000 0.962 287 D HN 0.400 nan 8.370 nan 0.000 0.502 288 R N -0.812 119.895 120.500 0.345 0.000 2.836 288 R HA 0.775 5.123 4.340 0.013 0.000 0.269 288 R C -1.521 174.916 176.300 0.228 0.000 1.010 288 R CA -1.179 55.099 56.100 0.296 0.000 0.930 288 R CB 2.991 33.332 30.300 0.068 0.000 1.218 288 R HN -0.028 nan 8.270 nan 0.000 0.473 289 V N 0.116 120.048 119.914 0.030 0.000 3.077 289 V HA 0.490 4.618 4.120 0.013 0.000 0.299 289 V C -1.570 174.465 176.094 -0.098 0.000 1.276 289 V CA -0.298 61.944 62.300 -0.098 0.000 0.993 289 V CB 2.798 34.430 31.823 -0.318 0.000 1.076 289 V HN 0.814 nan 8.190 nan 0.000 0.434 290 T N 6.975 121.482 114.554 -0.077 0.000 2.812 290 T HA 0.616 4.973 4.350 0.013 0.000 0.282 290 T C -1.048 173.610 174.700 -0.071 0.000 0.990 290 T CA -0.406 61.655 62.100 -0.065 0.000 0.960 290 T CB 1.136 69.980 68.868 -0.039 0.000 0.948 290 T HN 0.448 nan 8.240 nan 0.000 0.438 291 L N 3.466 124.647 121.223 -0.071 0.000 2.322 291 L HA 0.593 4.940 4.340 0.013 0.000 0.279 291 L C 0.403 177.242 176.870 -0.052 0.000 1.036 291 L CA -0.476 54.324 54.840 -0.067 0.000 0.807 291 L CB 1.475 43.491 42.059 -0.071 0.000 1.226 291 L HN 0.544 nan 8.230 nan 0.000 0.433 292 R N 3.239 123.709 120.500 -0.050 0.000 2.476 292 R HA 0.617 4.965 4.340 0.013 0.000 0.305 292 R C -1.394 174.878 176.300 -0.047 0.000 0.965 292 R CA -0.954 55.118 56.100 -0.047 0.000 0.867 292 R CB 2.057 32.330 30.300 -0.045 0.000 1.176 292 R HN 0.240 nan 8.270 nan 0.000 0.447 293 L N 2.936 124.131 121.223 -0.046 0.000 2.313 293 L HA 0.366 4.714 4.340 0.013 0.000 0.283 293 L C -0.313 176.529 176.870 -0.047 0.000 1.013 293 L CA -0.551 54.261 54.840 -0.046 0.000 0.816 293 L CB 1.621 43.657 42.059 -0.039 0.000 1.236 293 L HN 0.487 nan 8.230 nan 0.000 0.419 294 N N 1.644 120.311 118.700 -0.055 0.000 2.499 294 N HA 0.602 5.350 4.740 0.013 0.000 0.281 294 N C -1.130 174.334 175.510 -0.076 0.000 1.098 294 N CA -0.389 52.625 53.050 -0.060 0.000 0.979 294 N CB 1.622 40.076 38.487 -0.054 0.000 1.121 294 N HN 0.236 nan 8.380 nan 0.000 0.466 295 V N 1.758 121.613 119.914 -0.097 0.000 2.443 295 V HA 0.251 4.379 4.120 0.013 0.000 0.293 295 V C -0.395 175.616 176.094 -0.138 0.000 1.021 295 V CA -0.896 61.309 62.300 -0.159 0.000 0.848 295 V CB 1.430 33.070 31.823 -0.305 0.000 0.998 295 V HN 0.581 nan 8.190 nan 0.000 0.424 296 E N 2.827 122.968 120.200 -0.098 0.000 2.301 296 E HA 0.263 4.621 4.350 0.013 0.000 0.275 296 E C 0.202 176.773 176.600 -0.048 0.000 1.030 296 E CA -0.396 55.971 56.400 -0.056 0.000 0.852 296 E CB 0.489 30.169 29.700 -0.034 0.000 1.060 296 E HN 0.739 nan 8.360 nan 0.000 0.401 297 N N 1.202 119.898 118.700 -0.006 0.000 2.686 297 N HA -0.151 4.597 4.740 0.013 0.000 0.261 297 N C -2.452 173.062 175.510 0.007 0.000 1.001 297 N CA 0.193 53.257 53.050 0.023 0.000 0.764 297 N CB -0.988 37.515 38.487 0.027 0.000 0.898 297 N HN 0.326 nan 8.380 nan 0.000 0.544 298 P HA 0.012 nan 4.420 nan 0.000 0.271 298 P C -0.382 176.960 177.300 0.070 0.000 1.218 298 P CA 0.223 63.244 63.100 -0.132 0.000 0.780 298 P CB 0.789 32.209 31.700 -0.466 0.000 0.901 299 K N 2.777 123.304 120.400 0.212 0.000 2.349 299 K HA 0.254 4.582 4.320 0.013 0.000 0.289 299 K C 0.243 177.020 176.600 0.296 0.000 1.064 299 K CA -0.296 56.114 56.287 0.206 0.000 0.947 299 K CB 0.202 32.786 32.500 0.140 0.000 1.007 299 K HN 0.457 nan 8.250 nan 0.000 0.478 300 L N 2.644 123.965 121.223 0.163 0.000 2.395 300 L HA 0.304 4.652 4.340 0.013 0.000 0.269 300 L C 0.029 176.977 176.870 0.131 0.000 1.133 300 L CA -0.839 54.091 54.840 0.149 0.000 0.812 300 L CB 0.408 42.399 42.059 -0.114 0.000 1.125 300 L HN 0.582 nan 8.230 nan 0.000 0.452 301 W N 3.119 124.438 121.300 0.031 0.000 2.417 301 W HA 0.508 5.174 4.660 0.012 0.000 0.317 301 W C -0.070 176.376 176.519 -0.122 0.000 1.121 301 W CA 0.027 57.372 57.345 -0.000 0.000 1.208 301 W CB 1.440 30.955 29.460 0.092 0.000 1.253 301 W HN 0.619 nan 8.180 nan 0.000 0.533 302 S N 2.987 118.180 115.700 -0.846 0.000 2.625 302 S HA 0.654 5.132 4.470 0.013 0.000 0.271 302 S C 0.175 173.980 174.600 -1.324 0.000 1.161 302 S CA -0.371 57.331 58.200 -0.831 0.000 0.820 302 S CB 1.210 64.117 63.200 -0.488 0.000 1.137 302 S HN 0.973 nan 8.310 nan 0.000 0.470 303 A N 0.673 122.849 122.820 -1.073 0.000 1.972 303 A HA -0.002 4.325 4.320 0.013 0.000 0.219 303 A C 1.794 179.030 177.584 -0.579 0.000 1.169 303 A CA 1.633 53.059 52.037 -1.018 0.000 0.635 303 A CB -1.049 17.224 19.000 -1.212 0.000 0.810 303 A HN 0.898 nan 8.150 nan 0.000 0.446 304 E N -0.698 119.306 120.200 -0.327 0.000 2.072 304 E HA -0.019 4.339 4.350 0.013 0.000 0.191 304 E C -0.125 176.333 176.600 -0.236 0.000 0.985 304 E CA 0.823 57.104 56.400 -0.199 0.000 0.801 304 E CB -0.072 29.642 29.700 0.025 0.000 0.750 304 E HN 0.628 nan 8.360 nan 0.000 0.452 305 I N 1.826 122.227 120.570 -0.281 0.000 2.641 305 I HA 0.153 4.330 4.170 0.013 0.000 0.275 305 I C -2.426 173.457 176.117 -0.390 0.000 1.129 305 I CA -1.838 59.317 61.300 -0.242 0.000 1.094 305 I CB 1.995 39.912 38.000 -0.140 0.000 1.232 305 I HN -0.201 nan 8.210 nan 0.000 0.503 306 P HA 0.047 nan 4.420 nan 0.000 0.232 306 P C -0.563 176.695 177.300 -0.069 0.000 1.738 306 P CA -0.176 62.576 63.100 -0.580 0.000 0.948 306 P CB -0.276 31.222 31.700 -0.337 0.000 1.943 307 N N 1.676 120.372 118.700 -0.007 0.000 2.454 307 N HA 0.112 4.859 4.740 0.013 0.000 0.260 307 N C 0.123 175.839 175.510 0.343 0.000 1.218 307 N CA 0.496 53.620 53.050 0.124 0.000 0.904 307 N CB 0.800 39.352 38.487 0.110 0.000 1.065 307 N HN 0.325 nan 8.380 nan 0.000 0.462 308 L N 2.269 123.613 121.223 0.202 0.000 2.388 308 L HA 0.463 4.811 4.340 0.013 0.000 0.264 308 L C -0.800 176.160 176.870 0.150 0.000 0.998 308 L CA -0.844 54.171 54.840 0.291 0.000 0.817 308 L CB 1.360 43.555 42.059 0.227 0.000 1.338 308 L HN 0.398 nan 8.230 nan 0.000 0.414 309 Y N 0.307 120.755 120.300 0.247 0.000 2.631 309 Y HA 0.664 5.222 4.550 0.013 0.000 0.328 309 Y C -0.134 175.878 175.900 0.188 0.000 1.118 309 Y CA -0.755 57.488 58.100 0.240 0.000 1.206 309 Y CB 1.480 40.146 38.460 0.344 0.000 1.337 309 Y HN 0.375 nan 8.280 nan 0.000 0.515 310 R N 0.932 121.667 120.500 0.391 0.000 2.437 310 R HA 0.780 5.128 4.340 0.013 0.000 0.310 310 R C -1.663 174.807 176.300 0.284 0.000 0.955 310 R CA -0.536 55.711 56.100 0.245 0.000 0.851 310 R CB 1.061 31.431 30.300 0.116 0.000 1.161 310 R HN 0.726 nan 8.270 nan 0.000 0.446 311 A N 3.859 126.786 122.820 0.179 0.000 2.288 311 A HA 0.624 4.952 4.320 0.013 0.000 0.320 311 A C -1.046 176.570 177.584 0.054 0.000 1.217 311 A CA -0.645 51.476 52.037 0.140 0.000 0.840 311 A CB 1.275 20.324 19.000 0.081 0.000 1.179 311 A HN 0.487 nan 8.150 nan 0.000 0.504 312 V N 3.497 123.451 119.914 0.066 0.000 2.409 312 V HA 0.368 4.496 4.120 0.013 0.000 0.291 312 V C -0.370 175.682 176.094 -0.071 0.000 1.020 312 V CA -0.487 61.792 62.300 -0.035 0.000 0.848 312 V CB 1.606 33.417 31.823 -0.019 0.000 0.990 312 V HN 0.620 nan 8.190 nan 0.000 0.430 313 V N 5.017 124.821 119.914 -0.182 0.000 2.328 313 V HA 0.416 4.544 4.120 0.013 0.000 0.278 313 V C -0.048 175.979 176.094 -0.113 0.000 1.021 313 V CA -0.555 61.617 62.300 -0.213 0.000 0.838 313 V CB 1.221 32.751 31.823 -0.489 0.000 0.999 313 V HN 0.926 nan 8.190 nan 0.000 0.447 314 E N 4.006 124.192 120.200 -0.023 0.000 2.151 314 E HA 0.487 4.845 4.350 0.013 0.000 0.275 314 E C -0.988 175.705 176.600 0.155 0.000 0.936 314 E CA -0.873 55.565 56.400 0.062 0.000 0.777 314 E CB 2.439 32.178 29.700 0.066 0.000 1.108 314 E HN 0.462 nan 8.360 nan 0.000 0.401 315 L N 4.896 126.193 121.223 0.123 0.000 2.255 315 L HA 0.364 4.712 4.340 0.013 0.000 0.289 315 L C -0.944 176.037 176.870 0.185 0.000 1.046 315 L CA 0.141 55.054 54.840 0.122 0.000 0.816 315 L CB -0.353 41.763 42.059 0.095 0.000 1.197 315 L HN 0.685 nan 8.230 nan 0.000 0.427 316 H N 0.576 119.690 119.070 0.073 0.000 2.947 316 H HA 0.855 5.418 4.556 0.013 0.000 0.290 316 H C -0.724 174.673 175.328 0.115 0.000 1.430 316 H CA -0.442 55.649 56.048 0.073 0.000 1.189 316 H CB 0.924 30.709 29.762 0.037 0.000 1.875 316 H HN 0.447 nan 8.280 nan 0.000 0.568 317 T N -2.484 112.188 114.554 0.197 0.000 2.952 317 T HA 0.589 4.947 4.350 0.013 0.000 0.286 317 T C 1.293 176.102 174.700 0.182 0.000 1.024 317 T CA -0.432 61.759 62.100 0.152 0.000 1.029 317 T CB 1.604 70.517 68.868 0.075 0.000 1.094 317 T HN 0.938 nan 8.240 nan 0.000 0.515 318 A N 0.482 123.380 122.820 0.129 0.000 1.972 318 A HA -0.034 4.293 4.320 0.013 0.000 0.219 318 A C 1.748 179.403 177.584 0.119 0.000 1.169 318 A CA 1.378 53.488 52.037 0.121 0.000 0.635 318 A CB -0.786 18.270 19.000 0.094 0.000 0.810 318 A HN 0.903 nan 8.150 nan 0.000 0.446 319 D N -1.305 119.142 120.400 0.079 0.000 2.319 319 D HA 0.280 4.928 4.640 0.013 0.000 0.230 319 D C 1.167 177.496 176.300 0.047 0.000 1.094 319 D CA 0.959 54.986 54.000 0.045 0.000 0.856 319 D CB 0.148 40.951 40.800 0.005 0.000 0.915 319 D HN 0.605 nan 8.370 nan 0.000 0.517 320 G N 0.744 109.605 108.800 0.100 0.000 2.163 320 G HA2 -0.222 3.746 3.960 0.013 0.000 0.213 320 G HA3 -0.222 3.746 3.960 0.013 0.000 0.213 320 G C 0.496 175.426 174.900 0.050 0.000 0.991 320 G CA -0.151 44.986 45.100 0.062 0.000 0.653 320 G HN 0.256 nan 8.290 nan 0.000 0.518 321 T N 1.277 115.875 114.554 0.073 0.000 2.806 321 T HA 0.551 4.908 4.350 0.013 0.000 0.290 321 T C 0.149 174.911 174.700 0.103 0.000 0.966 321 T CA -0.266 61.866 62.100 0.053 0.000 1.060 321 T CB 1.879 70.757 68.868 0.017 0.000 0.927 321 T HN 0.534 nan 8.240 nan 0.000 0.485 322 L N 5.175 126.443 121.223 0.075 0.000 2.331 322 L HA 0.282 4.630 4.340 0.013 0.000 0.278 322 L C 0.709 177.632 176.870 0.089 0.000 1.106 322 L CA 0.049 54.948 54.840 0.098 0.000 0.824 322 L CB 0.171 42.261 42.059 0.051 0.000 1.142 322 L HN 0.543 nan 8.230 nan 0.000 0.443 323 I N 2.722 123.353 120.570 0.102 0.000 2.556 323 I HA 0.153 4.331 4.170 0.013 0.000 0.251 323 I C 0.631 176.771 176.117 0.038 0.000 1.105 323 I CA 0.856 62.196 61.300 0.067 0.000 1.436 323 I CB -0.886 37.158 38.000 0.073 0.000 1.139 323 I HN 0.855 nan 8.210 nan 0.000 0.438 324 E N -0.205 120.021 120.200 0.043 0.000 2.417 324 E HA 0.681 5.039 4.350 0.013 0.000 0.280 324 E C -1.499 175.124 176.600 0.038 0.000 1.112 324 E CA -0.991 55.425 56.400 0.027 0.000 0.863 324 E CB 1.705 31.383 29.700 -0.036 0.000 1.346 324 E HN -0.034 nan 8.360 nan 0.000 0.443 325 A N 0.930 123.794 122.820 0.072 0.000 2.475 325 A HA 0.718 5.046 4.320 0.013 0.000 0.301 325 A C -1.116 176.561 177.584 0.155 0.000 1.059 325 A CA -0.737 51.341 52.037 0.069 0.000 0.710 325 A CB 1.803 20.841 19.000 0.064 0.000 1.288 325 A HN 0.499 nan 8.150 nan 0.000 0.408 326 E N -0.441 119.784 120.200 0.042 0.000 2.378 326 E HA 0.848 5.206 4.350 0.013 0.000 0.265 326 E C -0.526 176.106 176.600 0.052 0.000 0.932 326 E CA -0.526 55.968 56.400 0.155 0.000 0.795 326 E CB 2.392 32.108 29.700 0.027 0.000 1.296 326 E HN 1.245 nan 8.360 nan 0.000 0.438 327 A N -0.111 122.873 122.820 0.272 0.000 2.601 327 A HA 0.718 5.045 4.320 0.013 0.000 0.291 327 A C -1.134 176.631 177.584 0.302 0.000 1.075 327 A CA -0.426 51.675 52.037 0.107 0.000 0.671 327 A CB 0.756 19.693 19.000 -0.105 0.000 1.277 327 A HN 0.851 nan 8.150 nan 0.000 0.417 328 C N -0.534 118.891 119.300 0.209 0.000 3.311 328 C HA 0.818 5.286 4.460 0.013 0.000 0.325 328 C C -1.375 173.701 174.990 0.143 0.000 1.352 328 C CA -0.942 58.212 59.018 0.225 0.000 1.308 328 C CB 1.133 29.032 27.740 0.265 0.000 1.619 328 C HN 0.811 nan 8.230 nan 0.000 0.469 329 D N 1.094 121.568 120.400 0.122 0.000 2.304 329 D HA 0.546 5.194 4.640 0.013 0.000 0.250 329 D C -0.343 176.006 176.300 0.082 0.000 1.107 329 D CA 0.144 54.217 54.000 0.121 0.000 0.885 329 D CB 1.841 42.717 40.800 0.127 0.000 1.192 329 D HN 0.549 nan 8.370 nan 0.000 0.436 330 V N 1.134 121.120 119.914 0.121 0.000 2.495 330 V HA 0.652 4.780 4.120 0.013 0.000 0.298 330 V C 0.606 176.751 176.094 0.086 0.000 1.031 330 V CA -0.865 61.451 62.300 0.026 0.000 0.871 330 V CB 2.000 33.820 31.823 -0.006 0.000 0.988 330 V HN 0.607 nan 8.190 nan 0.000 0.432 331 G N 3.098 111.845 108.800 -0.088 0.000 2.437 331 G HA2 0.601 4.569 3.960 0.013 0.000 0.315 331 G HA3 0.601 4.569 3.960 0.013 0.000 0.315 331 G C -0.949 174.006 174.900 0.092 0.000 1.210 331 G CA -0.387 44.738 45.100 0.042 0.000 0.943 331 G HN 0.432 nan 8.290 nan 0.000 0.471 332 F N 4.000 124.141 119.950 0.318 0.000 2.462 332 F HA 0.399 4.934 4.527 0.012 0.000 0.360 332 F C 1.168 177.205 175.800 0.396 0.000 1.134 332 F CA -0.143 58.099 58.000 0.404 0.000 1.148 332 F CB 0.608 39.873 39.000 0.442 0.000 1.147 332 F HN 0.426 nan 8.300 nan 0.000 0.550 333 R N 3.103 123.879 120.500 0.459 0.000 2.643 333 R HA 0.440 4.788 4.340 0.013 0.000 0.269 333 R C -1.756 174.716 176.300 0.285 0.000 1.037 333 R CA -0.763 55.474 56.100 0.229 0.000 0.894 333 R CB 1.684 32.141 30.300 0.261 0.000 1.238 333 R HN 0.594 nan 8.270 nan 0.000 0.459 334 E N 2.283 122.567 120.200 0.140 0.000 2.183 334 E HA 0.481 4.839 4.350 0.013 0.000 0.271 334 E C -1.250 175.432 176.600 0.137 0.000 0.919 334 E CA -0.939 55.619 56.400 0.264 0.000 0.781 334 E CB 2.136 32.077 29.700 0.402 0.000 1.140 334 E HN 0.403 nan 8.360 nan 0.000 0.402 335 V N 5.297 125.282 119.914 0.119 0.000 2.487 335 V HA 0.579 4.707 4.120 0.013 0.000 0.298 335 V C -0.275 175.863 176.094 0.073 0.000 1.028 335 V CA -0.665 61.672 62.300 0.062 0.000 0.860 335 V CB 1.386 33.221 31.823 0.018 0.000 0.991 335 V HN 0.753 nan 8.190 nan 0.000 0.427 336 R N 4.238 124.778 120.500 0.067 0.000 2.710 336 R HA 0.720 5.068 4.340 0.013 0.000 0.270 336 R C -2.077 174.254 176.300 0.051 0.000 1.021 336 R CA -0.926 55.215 56.100 0.069 0.000 0.889 336 R CB 1.948 32.305 30.300 0.095 0.000 1.243 336 R HN 0.521 nan 8.270 nan 0.000 0.464 337 I N 1.401 122.001 120.570 0.049 0.000 2.339 337 I HA 0.339 4.517 4.170 0.013 0.000 0.290 337 I C -0.532 175.610 176.117 0.042 0.000 0.994 337 I CA -0.403 60.920 61.300 0.038 0.000 1.191 337 I CB 1.758 39.782 38.000 0.040 0.000 1.343 337 I HN 0.666 nan 8.210 nan 0.000 0.458 338 E N 5.993 126.215 120.200 0.036 0.000 2.263 338 E HA 0.236 4.594 4.350 0.013 0.000 0.268 338 E C -0.333 176.284 176.600 0.028 0.000 0.884 338 E CA -0.536 55.886 56.400 0.038 0.000 0.766 338 E CB 1.100 30.829 29.700 0.048 0.000 1.196 338 E HN 0.570 nan 8.360 nan 0.000 0.416 339 N N 2.942 121.658 118.700 0.026 0.000 2.714 339 N HA -0.232 4.516 4.740 0.013 0.000 0.250 339 N C 0.430 175.949 175.510 0.015 0.000 1.117 339 N CA 1.997 55.059 53.050 0.020 0.000 0.719 339 N CB -1.142 37.356 38.487 0.018 0.000 1.081 339 N HN 0.942 nan 8.380 nan 0.000 0.557 340 G N -2.320 106.490 108.800 0.016 0.000 2.176 340 G HA2 -0.275 3.693 3.960 0.013 0.000 0.253 340 G HA3 -0.275 3.693 3.960 0.013 0.000 0.253 340 G C -0.112 174.788 174.900 -0.001 0.000 0.979 340 G CA 0.431 45.537 45.100 0.010 0.000 0.641 340 G HN 0.434 nan 8.290 nan 0.000 0.530 341 L N 0.237 121.459 121.223 -0.000 0.000 2.346 341 L HA 0.702 5.050 4.340 0.013 0.000 0.276 341 L C 0.115 176.979 176.870 -0.010 0.000 1.006 341 L CA -1.336 53.496 54.840 -0.014 0.000 0.817 341 L CB 1.855 43.906 42.059 -0.013 0.000 1.272 341 L HN 0.099 nan 8.230 nan 0.000 0.421 342 L N 4.606 125.811 121.223 -0.030 0.000 2.325 342 L HA 0.416 4.764 4.340 0.013 0.000 0.284 342 L C -0.827 176.023 176.870 -0.032 0.000 1.089 342 L CA 0.422 55.244 54.840 -0.030 0.000 0.836 342 L CB 0.192 42.218 42.059 -0.055 0.000 1.184 342 L HN 0.386 nan 8.230 nan 0.000 0.444 343 L N 5.918 127.139 121.223 -0.004 0.000 2.334 343 L HA 0.532 4.880 4.340 0.013 0.000 0.276 343 L C -0.739 176.140 176.870 0.014 0.000 1.014 343 L CA -0.807 54.039 54.840 0.011 0.000 0.815 343 L CB 1.885 43.973 42.059 0.048 0.000 1.268 343 L HN 0.550 nan 8.230 nan 0.000 0.428 344 L N 3.985 125.225 121.223 0.028 0.000 2.325 344 L HA 0.475 4.822 4.340 0.013 0.000 0.281 344 L C -0.125 176.740 176.870 -0.008 0.000 1.004 344 L CA -0.056 54.800 54.840 0.027 0.000 0.823 344 L CB 0.867 42.946 42.059 0.034 0.000 1.236 344 L HN 0.595 nan 8.230 nan 0.000 0.415 345 N N 4.163 122.713 118.700 -0.249 0.000 2.727 345 N HA -0.225 4.523 4.740 0.013 0.000 0.249 345 N C 0.941 176.064 175.510 -0.646 0.000 1.048 345 N CA 1.294 53.822 53.050 -0.871 0.000 0.714 345 N CB -1.286 36.648 38.487 -0.921 0.000 0.959 345 N HN 1.177 nan 8.380 nan 0.000 0.544 346 G N -2.090 106.634 108.800 -0.126 0.000 2.184 346 G HA2 -0.358 3.610 3.960 0.013 0.000 0.264 346 G HA3 -0.358 3.610 3.960 0.013 0.000 0.264 346 G C -0.011 174.921 174.900 0.053 0.000 0.975 346 G CA 0.947 46.105 45.100 0.098 0.000 0.642 346 G HN 0.405 nan 8.290 nan 0.000 0.536 347 K N 0.708 121.132 120.400 0.040 0.000 2.203 347 K HA 0.567 4.895 4.320 0.013 0.000 0.251 347 K C -2.709 173.876 176.600 -0.024 0.000 0.944 347 K CA -2.352 53.923 56.287 -0.021 0.000 0.829 347 K CB 2.319 34.733 32.500 -0.144 0.000 1.125 347 K HN 0.054 nan 8.250 nan 0.000 0.430 348 P HA 0.234 nan 4.420 nan 0.000 0.282 348 P C -0.139 177.112 177.300 -0.081 0.000 1.262 348 P CA -0.294 62.770 63.100 -0.059 0.000 0.773 348 P CB 0.602 32.266 31.700 -0.060 0.000 0.879 349 L N 3.209 124.379 121.223 -0.087 0.000 2.453 349 L HA 0.316 4.664 4.340 0.013 0.000 0.261 349 L C 0.574 177.374 176.870 -0.117 0.000 1.179 349 L CA -0.664 54.116 54.840 -0.099 0.000 0.813 349 L CB 0.392 42.347 42.059 -0.173 0.000 1.110 349 L HN 0.260 nan 8.230 nan 0.000 0.466 350 L N 3.684 124.854 121.223 -0.087 0.000 2.388 350 L HA 0.410 4.758 4.340 0.013 0.000 0.267 350 L C -0.548 176.283 176.870 -0.066 0.000 0.995 350 L CA -0.231 54.538 54.840 -0.118 0.000 0.864 350 L CB 0.842 42.860 42.059 -0.069 0.000 1.216 350 L HN 0.244 nan 8.230 nan 0.000 0.430 351 I N 4.825 125.280 120.570 -0.190 0.000 2.421 351 I HA 0.184 4.362 4.170 0.013 0.000 0.291 351 I C 0.626 176.704 176.117 -0.064 0.000 1.089 351 I CA 0.225 61.422 61.300 -0.172 0.000 1.354 351 I CB 0.365 38.122 38.000 -0.405 0.000 1.413 351 I HN 0.548 nan 8.210 nan 0.000 0.513 352 R N 4.792 125.356 120.500 0.107 0.000 3.070 352 R HA 0.430 4.778 4.340 0.013 0.000 0.252 352 R C 0.561 177.016 176.300 0.258 0.000 1.370 352 R CA -0.261 55.954 56.100 0.191 0.000 1.482 352 R CB 0.681 30.919 30.300 -0.104 0.000 1.220 352 R HN 0.762 nan 8.270 nan 0.000 0.622 353 G N 0.021 108.930 108.800 0.182 0.000 2.552 353 G HA2 0.587 4.555 3.960 0.013 0.000 0.324 353 G HA3 0.587 4.555 3.960 0.013 0.000 0.324 353 G C -1.306 173.924 174.900 0.550 0.000 1.217 353 G CA -0.461 44.751 45.100 0.187 0.000 0.989 353 G HN 0.215 nan 8.290 nan 0.000 0.490 354 V N 0.039 120.243 119.914 0.484 0.000 2.971 354 V HA 0.459 4.587 4.120 0.013 0.000 0.309 354 V C -1.106 175.125 176.094 0.228 0.000 1.130 354 V CA -1.222 61.234 62.300 0.261 0.000 0.964 354 V CB 2.219 33.895 31.823 -0.246 0.000 1.029 354 V HN 0.753 nan 8.190 nan 0.000 0.427 355 N N 4.395 123.155 118.700 0.100 0.000 2.514 355 N HA 0.399 5.147 4.740 0.013 0.000 0.277 355 N C -0.687 174.641 175.510 -0.302 0.000 1.126 355 N CA -0.223 52.752 53.050 -0.126 0.000 0.978 355 N CB 1.398 39.789 38.487 -0.161 0.000 1.106 355 N HN 0.620 nan 8.380 nan 0.000 0.461 356 R N 2.269 122.558 120.500 -0.352 0.000 2.502 356 R HA 0.232 4.580 4.340 0.013 0.000 0.300 356 R C -0.932 175.122 176.300 -0.411 0.000 0.984 356 R CA -0.549 55.357 56.100 -0.323 0.000 0.882 356 R CB 0.871 30.966 30.300 -0.341 0.000 1.180 356 R HN 0.583 nan 8.270 nan 0.000 0.444 357 H N 2.186 121.103 119.070 -0.255 0.000 2.505 357 H HA 0.143 4.707 4.556 0.014 0.000 0.355 357 H C -0.492 174.830 175.328 -0.011 0.000 1.179 357 H CA -0.068 55.922 56.048 -0.096 0.000 1.343 357 H CB 1.533 31.303 29.762 0.014 0.000 1.501 357 H HN 0.563 nan 8.280 nan 0.000 0.569 358 E N 1.820 122.201 120.200 0.301 0.000 1.963 358 E HA 0.108 4.466 4.350 0.013 0.000 0.274 358 E C -0.744 175.996 176.600 0.234 0.000 1.061 358 E CA -0.045 56.459 56.400 0.174 0.000 0.847 358 E CB 0.286 30.101 29.700 0.192 0.000 1.083 358 E HN 0.362 nan 8.360 nan 0.000 0.402 359 H N 1.718 120.848 119.070 0.100 0.000 2.865 359 H HA 0.274 4.837 4.556 0.013 0.000 0.362 359 H C -1.664 173.719 175.328 0.092 0.000 1.114 359 H CA -0.661 55.442 56.048 0.091 0.000 1.208 359 H CB 1.053 30.856 29.762 0.068 0.000 1.727 359 H HN 0.403 nan 8.280 nan 0.000 0.534 360 H N 6.084 124.704 119.070 -0.750 0.000 2.759 360 H HA 0.220 4.783 4.556 0.013 0.000 0.354 360 H C -2.375 172.586 175.328 -0.612 0.000 1.074 360 H CA -2.364 53.413 56.048 -0.452 0.000 1.226 360 H CB 2.726 32.373 29.762 -0.192 0.000 1.648 360 H HN 0.528 nan 8.280 nan 0.000 0.529 361 P HA -0.050 nan 4.420 nan 0.000 0.222 361 P C 1.145 178.379 177.300 -0.109 0.000 1.147 361 P CA 0.736 63.709 63.100 -0.212 0.000 0.790 361 P CB 0.819 32.414 31.700 -0.176 0.000 0.780 362 L N -2.013 119.282 121.223 0.120 0.000 2.467 362 L HA 0.129 4.477 4.340 0.013 0.000 0.213 362 L C 2.130 178.803 176.870 -0.328 0.000 1.053 362 L CA 0.585 55.325 54.840 -0.167 0.000 0.847 362 L CB -0.658 41.160 42.059 -0.402 0.000 1.075 362 L HN -0.009 nan 8.230 nan 0.000 0.479 363 H N -0.361 118.671 119.070 -0.063 0.000 2.539 363 H HA 0.271 4.835 4.556 0.013 0.000 0.269 363 H C 1.431 176.648 175.328 -0.185 0.000 0.980 363 H CA 0.301 56.200 56.048 -0.249 0.000 1.152 363 H CB 0.376 29.873 29.762 -0.442 0.000 1.407 363 H HN 0.383 nan 8.280 nan 0.000 0.564 364 G N 1.333 110.048 108.800 -0.142 0.000 2.536 364 G HA2 -0.371 3.597 3.960 0.013 0.000 0.277 364 G HA3 -0.371 3.597 3.960 0.013 0.000 0.277 364 G C 0.607 175.428 174.900 -0.131 0.000 1.155 364 G CA 0.299 45.278 45.100 -0.201 0.000 0.960 364 G HN 0.452 nan 8.290 nan 0.000 0.544 365 Q N -0.094 119.654 119.800 -0.086 0.000 2.198 365 Q HA 0.458 4.806 4.340 0.013 0.000 0.209 365 Q C 0.248 176.352 176.000 0.174 0.000 0.848 365 Q CA -0.111 55.688 55.803 -0.006 0.000 0.974 365 Q CB 1.368 29.996 28.738 -0.184 0.000 1.115 365 Q HN 0.367 nan 8.270 nan 0.000 0.494 366 V N 2.151 122.136 119.914 0.119 0.000 2.488 366 V HA 0.178 4.306 4.120 0.013 0.000 0.277 366 V C 0.174 176.308 176.094 0.065 0.000 1.046 366 V CA 0.184 62.550 62.300 0.109 0.000 0.986 366 V CB 0.867 32.690 31.823 0.001 0.000 0.989 366 V HN 0.323 nan 8.190 nan 0.000 0.475 367 M N 4.693 124.333 119.600 0.066 0.000 2.472 367 M HA 0.510 4.998 4.480 0.013 0.000 0.331 367 M C -0.526 175.713 176.300 -0.101 0.000 1.170 367 M CA -0.602 54.693 55.300 -0.008 0.000 1.009 367 M CB 1.750 34.318 32.600 -0.053 0.000 1.672 367 M HN 0.929 nan 8.290 nan 0.000 0.453 368 D N -1.336 119.020 120.400 -0.074 0.000 2.547 368 D HA 0.267 4.915 4.640 0.013 0.000 0.231 368 D C 0.404 176.677 176.300 -0.046 0.000 1.099 368 D CA -0.701 53.251 54.000 -0.080 0.000 0.901 368 D CB 1.496 42.275 40.800 -0.036 0.000 1.478 368 D HN 0.681 nan 8.370 nan 0.000 0.471 369 E N -0.066 120.115 120.200 -0.031 0.000 2.070 369 E HA -0.347 4.011 4.350 0.013 0.000 0.197 369 E C 1.632 178.270 176.600 0.064 0.000 1.004 369 E CA 1.384 57.798 56.400 0.024 0.000 0.805 369 E CB 0.081 29.809 29.700 0.046 0.000 0.744 369 E HN 0.596 nan 8.360 nan 0.000 0.451 370 Q N -0.376 119.464 119.800 0.066 0.000 2.077 370 Q HA -0.180 4.167 4.340 0.013 0.000 0.206 370 Q C 2.182 178.241 176.000 0.098 0.000 0.989 370 Q CA 2.333 58.186 55.803 0.083 0.000 0.853 370 Q CB -0.149 28.640 28.738 0.085 0.000 0.907 370 Q HN 0.350 nan 8.270 nan 0.000 0.418 371 T N 0.849 115.470 114.554 0.111 0.000 2.746 371 T HA -0.133 4.225 4.350 0.013 0.000 0.267 371 T C 1.880 176.659 174.700 0.132 0.000 1.039 371 T CA 1.370 63.549 62.100 0.132 0.000 1.142 371 T CB -0.141 68.831 68.868 0.173 0.000 0.866 371 T HN 0.283 nan 8.240 nan 0.000 0.444 372 M N 0.503 120.184 119.600 0.136 0.000 2.080 372 M HA -0.106 4.382 4.480 0.013 0.000 0.260 372 M C 2.470 178.894 176.300 0.207 0.000 1.068 372 M CA 1.376 56.830 55.300 0.257 0.000 1.109 372 M CB -0.635 32.145 32.600 0.300 0.000 1.342 372 M HN 0.104 nan 8.290 nan 0.000 0.405 373 V N 0.292 120.264 119.914 0.096 0.000 2.343 373 V HA -0.307 3.820 4.120 0.013 0.000 0.247 373 V C 2.350 178.428 176.094 -0.027 0.000 1.051 373 V CA 2.147 64.437 62.300 -0.016 0.000 1.036 373 V CB -0.885 30.962 31.823 0.039 0.000 0.654 373 V HN 0.572 nan 8.190 nan 0.000 0.451 374 Q N -0.346 119.489 119.800 0.058 0.000 2.096 374 Q HA -0.273 4.074 4.340 0.013 0.000 0.204 374 Q C 1.949 178.019 176.000 0.116 0.000 0.982 374 Q CA 2.184 58.037 55.803 0.084 0.000 0.850 374 Q CB -0.142 28.663 28.738 0.111 0.000 0.901 374 Q HN 0.626 nan 8.270 nan 0.000 0.422 375 D N 0.397 120.884 120.400 0.145 0.000 2.084 375 D HA -0.137 4.511 4.640 0.013 0.000 0.194 375 D C 1.966 178.232 176.300 -0.057 0.000 0.990 375 D CA 1.208 55.300 54.000 0.154 0.000 0.826 375 D CB -0.245 40.634 40.800 0.132 0.000 0.971 375 D HN 0.348 nan 8.370 nan 0.000 0.453 376 I N 0.838 121.357 120.570 -0.085 0.000 2.208 376 I HA -0.247 3.931 4.170 0.013 0.000 0.245 376 I C 2.418 178.394 176.117 -0.234 0.000 1.097 376 I CA 0.678 61.819 61.300 -0.264 0.000 1.363 376 I CB -0.161 37.554 38.000 -0.476 0.000 1.051 376 I HN 0.014 nan 8.210 nan 0.000 0.413 377 L N 0.006 121.127 121.223 -0.170 0.000 2.046 377 L HA -0.236 4.112 4.340 0.013 0.000 0.208 377 L C 2.566 179.497 176.870 0.101 0.000 1.077 377 L CA 1.473 56.300 54.840 -0.020 0.000 0.747 377 L CB -0.648 41.422 42.059 0.019 0.000 0.896 377 L HN 0.314 nan 8.230 nan 0.000 0.432 378 L N -0.908 120.396 121.223 0.135 0.000 2.056 378 L HA -0.218 4.130 4.340 0.013 0.000 0.207 378 L C 2.717 179.747 176.870 0.267 0.000 1.078 378 L CA 1.231 56.238 54.840 0.278 0.000 0.749 378 L CB -0.228 42.115 42.059 0.474 0.000 0.901 378 L HN 0.259 nan 8.230 nan 0.000 0.433 379 M N -0.583 118.983 119.600 -0.057 0.000 2.065 379 M HA -0.266 4.222 4.480 0.013 0.000 0.259 379 M C 2.245 178.621 176.300 0.127 0.000 1.069 379 M CA 1.929 57.116 55.300 -0.189 0.000 1.110 379 M CB -0.374 31.874 32.600 -0.587 0.000 1.328 379 M HN 0.059 nan 8.290 nan 0.000 0.405 380 K N -0.070 120.298 120.400 -0.053 0.000 2.097 380 K HA -0.175 4.153 4.320 0.013 0.000 0.206 380 K C 1.994 178.561 176.600 -0.055 0.000 1.049 380 K CA 1.277 57.419 56.287 -0.241 0.000 0.933 380 K CB -0.237 31.883 32.500 -0.633 0.000 0.717 380 K HN 0.457 nan 8.250 nan 0.000 0.442 381 Q N 0.375 120.315 119.800 0.234 0.000 2.291 381 Q HA -0.043 4.305 4.340 0.013 0.000 0.205 381 Q C 0.803 177.107 176.000 0.506 0.000 0.970 381 Q CA 0.773 56.840 55.803 0.441 0.000 0.876 381 Q CB 0.139 29.106 28.738 0.383 0.000 0.935 381 Q HN 0.272 nan 8.270 nan 0.000 0.455 382 N N 0.590 119.540 118.700 0.416 0.000 2.321 382 N HA 0.059 4.807 4.740 0.013 0.000 0.242 382 N C -0.700 174.920 175.510 0.185 0.000 1.141 382 N CA 0.014 53.300 53.050 0.394 0.000 0.864 382 N CB 0.695 39.488 38.487 0.511 0.000 1.100 382 N HN 0.160 nan 8.380 nan 0.000 0.510 383 N N 0.126 118.944 118.700 0.198 0.000 2.776 383 N HA -0.190 4.558 4.740 0.013 0.000 0.250 383 N C -0.793 174.678 175.510 -0.065 0.000 1.112 383 N CA 0.814 53.950 53.050 0.143 0.000 0.733 383 N CB -1.758 36.752 38.487 0.038 0.000 1.097 383 N HN 0.271 nan 8.380 nan 0.000 0.558 384 F N 1.134 121.115 119.950 0.051 0.000 2.375 384 F HA 0.286 4.821 4.527 0.013 0.000 0.333 384 F C 1.769 177.568 175.800 -0.002 0.000 1.104 384 F CA -0.502 57.511 58.000 0.022 0.000 1.149 384 F CB 0.791 39.772 39.000 -0.031 0.000 1.190 384 F HN 0.052 nan 8.300 nan 0.000 0.533 385 N N 0.747 119.580 118.700 0.221 0.000 2.160 385 N HA 0.457 5.205 4.740 0.013 0.000 0.226 385 N C -0.900 174.674 175.510 0.107 0.000 1.256 385 N CA -0.031 53.072 53.050 0.089 0.000 0.890 385 N CB 0.783 39.362 38.487 0.153 0.000 1.116 385 N HN 0.492 nan 8.380 nan 0.000 0.517 386 A N -0.662 122.288 122.820 0.218 0.000 2.612 386 A HA 0.730 5.058 4.320 0.013 0.000 0.293 386 A C -1.863 175.946 177.584 0.375 0.000 1.075 386 A CA -0.669 51.558 52.037 0.318 0.000 0.680 386 A CB 1.646 20.858 19.000 0.354 0.000 1.279 386 A HN 0.225 nan 8.150 nan 0.000 0.411 387 V N 1.059 121.240 119.914 0.444 0.000 2.841 387 V HA 0.820 4.948 4.120 0.013 0.000 0.310 387 V C -0.590 175.642 176.094 0.229 0.000 1.090 387 V CA -0.705 61.808 62.300 0.356 0.000 0.930 387 V CB 1.886 33.851 31.823 0.237 0.000 1.014 387 V HN 1.129 nan 8.190 nan 0.000 0.425 388 R N 4.862 125.333 120.500 -0.049 0.000 2.338 388 R HA 0.485 4.833 4.340 0.013 0.000 0.317 388 R C -0.794 175.359 176.300 -0.245 0.000 0.968 388 R CA -0.478 55.410 56.100 -0.354 0.000 0.849 388 R CB 1.147 31.011 30.300 -0.727 0.000 1.128 388 R HN 0.800 nan 8.270 nan 0.000 0.448 389 C N 4.450 123.636 119.300 -0.189 0.000 2.896 389 C HA 0.114 4.582 4.460 0.013 0.000 0.499 389 C C 0.537 175.247 174.990 -0.467 0.000 1.022 389 C CA -0.432 58.423 59.018 -0.271 0.000 1.127 389 C CB -2.059 25.639 27.740 -0.070 0.000 1.452 389 C HN 0.721 nan 8.230 nan 0.000 0.580 390 S N 1.593 116.895 115.700 -0.664 0.000 2.465 390 S HA 0.177 4.655 4.470 0.013 0.000 0.280 390 S C -0.100 173.615 174.600 -1.474 0.000 1.232 390 S CA 0.105 57.669 58.200 -1.061 0.000 1.066 390 S CB 0.091 62.642 63.200 -1.083 0.000 0.929 390 S HN 0.736 nan 8.310 nan 0.000 0.494 391 H N 3.785 122.247 119.070 -1.014 0.000 2.511 391 H HA 0.320 4.884 4.556 0.013 0.000 0.228 391 H C -1.183 174.018 175.328 -0.211 0.000 1.424 391 H CA -0.348 55.487 56.048 -0.356 0.000 1.321 391 H CB -0.154 29.597 29.762 -0.018 0.000 1.720 391 H HN 0.888 nan 8.280 nan 0.000 0.512 392 Y N -2.884 117.512 120.300 0.160 0.000 2.765 392 Y HA 0.375 4.933 4.550 0.014 0.000 0.350 392 Y C -3.298 172.703 175.900 0.169 0.000 1.196 392 Y CA -3.097 55.107 58.100 0.173 0.000 1.119 392 Y CB -0.023 38.544 38.460 0.178 0.000 1.368 392 Y HN -0.087 nan 8.280 nan 0.000 0.463 393 P HA 0.125 nan 4.420 nan 0.000 0.265 393 P C -0.593 176.991 177.300 0.474 0.000 1.193 393 P CA 0.257 63.604 63.100 0.412 0.000 0.765 393 P CB 0.552 32.426 31.700 0.290 0.000 0.823 394 N N 0.642 119.631 118.700 0.482 0.000 2.447 394 N HA 0.083 4.831 4.740 0.013 0.000 0.271 394 N C 0.166 175.907 175.510 0.384 0.000 1.226 394 N CA -0.594 52.653 53.050 0.328 0.000 0.980 394 N CB 0.350 38.818 38.487 -0.031 0.000 1.206 394 N HN 0.597 nan 8.380 nan 0.000 0.558 395 H N 2.203 121.373 119.070 0.166 0.000 3.001 395 H HA -0.005 4.559 4.556 0.013 0.000 0.334 395 H C -1.602 173.886 175.328 0.267 0.000 1.034 395 H CA -0.789 55.345 56.048 0.143 0.000 1.420 395 H CB 1.007 30.819 29.762 0.083 0.000 1.405 395 H HN 0.440 nan 8.280 nan 0.000 0.593 396 P HA -0.219 nan 4.420 nan 0.000 0.216 396 P C 1.818 179.412 177.300 0.490 0.000 1.150 396 P CA 0.748 64.066 63.100 0.363 0.000 0.843 396 P CB 0.220 32.000 31.700 0.132 0.000 0.787 397 L N -0.994 120.605 121.223 0.627 0.000 2.191 397 L HA -0.056 4.292 4.340 0.013 0.000 0.212 397 L C 2.383 179.425 176.870 0.287 0.000 1.103 397 L CA 1.380 56.459 54.840 0.398 0.000 0.769 397 L CB -1.487 40.738 42.059 0.276 0.000 0.908 397 L HN 0.043 nan 8.230 nan 0.000 0.438 398 W N -0.658 120.671 121.300 0.048 0.000 2.342 398 W HA -0.313 4.354 4.660 0.012 0.000 0.297 398 W C 1.985 178.343 176.519 -0.268 0.000 1.213 398 W CA 1.689 58.925 57.345 -0.182 0.000 1.251 398 W CB -0.270 28.982 29.460 -0.346 0.000 1.136 398 W HN 0.278 nan 8.180 nan 0.000 0.526 399 Y N 0.643 120.872 120.300 -0.119 0.000 2.200 399 Y HA -0.197 4.361 4.550 0.013 0.000 0.290 399 Y C 2.853 178.517 175.900 -0.395 0.000 1.137 399 Y CA 2.144 59.957 58.100 -0.480 0.000 1.163 399 Y CB -1.222 36.604 38.460 -1.056 0.000 0.988 399 Y HN -0.247 nan 8.280 nan 0.000 0.518 400 T N 0.666 115.219 114.554 -0.002 0.000 2.746 400 T HA -0.145 4.212 4.350 0.013 0.000 0.267 400 T C 1.997 176.733 174.700 0.061 0.000 1.039 400 T CA 1.327 63.510 62.100 0.138 0.000 1.142 400 T CB -0.525 68.474 68.868 0.218 0.000 0.866 400 T HN 0.227 nan 8.240 nan 0.000 0.444 401 L N 0.342 121.558 121.223 -0.012 0.000 2.056 401 L HA -0.091 4.257 4.340 0.013 0.000 0.207 401 L C 2.861 179.703 176.870 -0.047 0.000 1.078 401 L CA 0.863 55.717 54.840 0.023 0.000 0.749 401 L CB -0.687 41.341 42.059 -0.051 0.000 0.901 401 L HN 0.371 nan 8.230 nan 0.000 0.433 402 C N -0.196 118.906 119.300 -0.330 0.000 2.425 402 C HA -0.149 4.319 4.460 0.013 0.000 0.277 402 C C 2.404 177.435 174.990 0.068 0.000 1.280 402 C CA 0.491 59.349 59.018 -0.268 0.000 1.744 402 C CB -0.778 26.698 27.740 -0.439 0.000 1.989 402 C HN 0.537 nan 8.230 nan 0.000 0.491 403 D N 0.310 120.769 120.400 0.099 0.000 2.144 403 D HA -0.080 4.568 4.640 0.013 0.000 0.200 403 D C 2.407 178.925 176.300 0.363 0.000 0.978 403 D CA 1.137 55.287 54.000 0.251 0.000 0.833 403 D CB -0.298 40.600 40.800 0.163 0.000 0.961 403 D HN 0.525 nan 8.370 nan 0.000 0.470 404 R N -1.102 119.500 120.500 0.170 0.000 2.112 404 R HA 0.044 4.392 4.340 0.013 0.000 0.216 404 R C 1.940 178.208 176.300 -0.052 0.000 1.080 404 R CA 0.441 56.575 56.100 0.057 0.000 0.996 404 R CB -0.076 30.189 30.300 -0.059 0.000 0.902 404 R HN 0.250 nan 8.270 nan 0.000 0.449 405 Y N -0.044 120.258 120.300 0.003 0.000 2.490 405 Y HA 0.183 4.741 4.550 0.013 0.000 0.285 405 Y C 0.914 176.732 175.900 -0.138 0.000 1.117 405 Y CA 0.736 58.811 58.100 -0.043 0.000 1.262 405 Y CB 0.821 39.231 38.460 -0.083 0.000 1.043 405 Y HN 0.217 nan 8.280 nan 0.000 0.553 406 G N 1.252 110.065 108.800 0.022 0.000 2.830 406 G HA2 -0.155 3.813 3.960 0.013 0.000 0.298 406 G HA3 -0.155 3.813 3.960 0.013 0.000 0.298 406 G C -1.176 173.557 174.900 -0.279 0.000 1.031 406 G CA -0.528 44.448 45.100 -0.207 0.000 1.179 406 G HN 0.170 nan 8.290 nan 0.000 0.527 407 L N 0.957 122.091 121.223 -0.149 0.000 2.445 407 L HA 0.509 4.857 4.340 0.013 0.000 0.262 407 L C -0.030 176.853 176.870 0.022 0.000 0.974 407 L CA -1.319 53.406 54.840 -0.192 0.000 0.822 407 L CB 1.989 43.959 42.059 -0.148 0.000 1.339 407 L HN 0.449 nan 8.230 nan 0.000 0.409 408 Y N 1.698 122.125 120.300 0.211 0.000 2.377 408 Y HA 0.382 4.942 4.550 0.016 0.000 0.330 408 Y C 0.190 176.221 175.900 0.219 0.000 1.108 408 Y CA -0.747 57.513 58.100 0.267 0.000 1.308 408 Y CB 1.252 39.850 38.460 0.230 0.000 1.216 408 Y HN 0.150 nan 8.280 nan 0.000 0.518 409 V N 4.492 124.603 119.914 0.327 0.000 2.555 409 V HA 0.302 4.430 4.120 0.013 0.000 0.302 409 V C -0.502 175.678 176.094 0.144 0.000 1.038 409 V CA -0.986 61.444 62.300 0.216 0.000 0.887 409 V CB 1.852 33.770 31.823 0.159 0.000 0.991 409 V HN 0.468 nan 8.190 nan 0.000 0.434 410 V N 3.496 123.463 119.914 0.088 0.000 2.333 410 V HA 0.314 4.441 4.120 0.013 0.000 0.274 410 V C -0.242 175.889 176.094 0.061 0.000 1.028 410 V CA -0.390 61.913 62.300 0.004 0.000 0.851 410 V CB 1.439 33.152 31.823 -0.184 0.000 1.000 410 V HN 0.870 nan 8.190 nan 0.000 0.456 411 D N 4.255 124.731 120.400 0.127 0.000 2.277 411 D HA 0.309 4.957 4.640 0.013 0.000 0.249 411 D C -0.204 176.282 176.300 0.310 0.000 1.134 411 D CA -0.010 54.162 54.000 0.286 0.000 0.863 411 D CB 1.281 42.286 40.800 0.341 0.000 1.143 411 D HN 0.692 nan 8.370 nan 0.000 0.458 412 E N 1.782 122.131 120.200 0.248 0.000 2.222 412 E HA 0.628 4.986 4.350 0.013 0.000 0.267 412 E C -1.094 175.641 176.600 0.226 0.000 0.884 412 E CA -1.049 55.483 56.400 0.221 0.000 0.764 412 E CB 1.400 31.181 29.700 0.135 0.000 1.169 412 E HN 0.439 nan 8.360 nan 0.000 0.413 413 A N 3.644 126.590 122.820 0.210 0.000 2.425 413 A HA 0.105 4.433 4.320 0.013 0.000 0.242 413 A C 0.298 178.005 177.584 0.205 0.000 1.077 413 A CA -0.284 51.858 52.037 0.174 0.000 0.781 413 A CB 0.191 19.260 19.000 0.116 0.000 1.020 413 A HN 0.694 nan 8.150 nan 0.000 0.494 414 N N 1.031 119.861 118.700 0.216 0.000 3.178 414 N HA 0.260 5.008 4.740 0.013 0.000 0.300 414 N C -1.094 174.544 175.510 0.214 0.000 1.242 414 N CA 0.196 53.405 53.050 0.266 0.000 1.192 414 N CB -0.897 37.748 38.487 0.264 0.000 1.463 414 N HN 0.471 nan 8.380 nan 0.000 0.539 415 I N 0.787 121.477 120.570 0.199 0.000 2.497 415 I HA 0.282 4.460 4.170 0.013 0.000 0.284 415 I C -0.555 175.660 176.117 0.163 0.000 1.060 415 I CA -0.602 60.798 61.300 0.167 0.000 1.071 415 I CB 1.759 39.833 38.000 0.123 0.000 1.216 415 I HN 0.206 nan 8.210 nan 0.000 0.442 416 E N 4.185 124.475 120.200 0.150 0.000 2.287 416 E HA 0.384 4.741 4.350 0.013 0.000 0.274 416 E C -0.558 176.095 176.600 0.088 0.000 0.896 416 E CA -0.493 55.963 56.400 0.093 0.000 0.788 416 E CB 1.555 31.289 29.700 0.057 0.000 1.244 416 E HN 0.593 nan 8.360 nan 0.000 0.408 417 T N 0.638 115.235 114.554 0.073 0.000 3.355 417 T HA 0.164 4.522 4.350 0.013 0.000 0.276 417 T C 0.889 175.631 174.700 0.069 0.000 1.003 417 T CA -0.309 61.862 62.100 0.120 0.000 0.943 417 T CB -0.287 68.639 68.868 0.098 0.000 1.158 417 T HN 0.664 nan 8.240 nan 0.000 0.513 418 H N 1.155 120.127 119.070 -0.163 0.000 2.394 418 H HA -0.067 4.498 4.556 0.014 0.000 0.297 418 H C 2.298 177.502 175.328 -0.205 0.000 1.113 418 H CA 1.326 57.254 56.048 -0.201 0.000 1.277 418 H CB -0.155 29.446 29.762 -0.269 0.000 1.370 418 H HN 0.586 nan 8.280 nan 0.000 0.506 419 G N 0.024 108.698 108.800 -0.209 0.000 2.848 419 G HA2 -0.030 3.938 3.960 0.013 0.000 0.208 419 G HA3 -0.030 3.938 3.960 0.013 0.000 0.208 419 G C 0.456 175.487 174.900 0.220 0.000 1.152 419 G CA -0.154 44.868 45.100 -0.130 0.000 0.789 419 G HN 0.135 nan 8.290 nan 0.000 0.531 420 M N 0.262 120.023 119.600 0.268 0.000 2.198 420 M HA 0.350 4.838 4.480 0.013 0.000 0.315 420 M C -0.339 176.000 176.300 0.064 0.000 1.134 420 M CA -0.347 55.053 55.300 0.167 0.000 1.171 420 M CB 1.386 34.036 32.600 0.084 0.000 1.413 420 M HN -0.206 nan 8.290 nan 0.000 0.467 421 V N 3.311 123.240 119.914 0.024 0.000 2.482 421 V HA 0.371 4.499 4.120 0.013 0.000 0.295 421 V C -2.009 174.079 176.094 -0.011 0.000 1.026 421 V CA -1.296 61.004 62.300 0.000 0.000 0.856 421 V CB 1.866 33.684 31.823 -0.009 0.000 1.001 421 V HN 0.730 nan 8.190 nan 0.000 0.424 422 P HA 0.241 nan 4.420 nan 0.000 0.277 422 P C 0.976 178.280 177.300 0.007 0.000 1.276 422 P CA -0.483 62.615 63.100 -0.004 0.000 0.788 422 P CB 1.036 32.735 31.700 -0.002 0.000 1.114 423 M N 0.488 120.098 119.600 0.016 0.000 2.279 423 M HA -0.157 4.330 4.480 0.013 0.000 0.264 423 M C 1.169 177.492 176.300 0.039 0.000 1.062 423 M CA 1.712 57.031 55.300 0.032 0.000 1.099 423 M CB -0.474 32.136 32.600 0.017 0.000 1.394 423 M HN 0.365 nan 8.290 nan 0.000 0.426 424 N N -0.045 118.679 118.700 0.039 0.000 2.313 424 N HA -0.068 4.680 4.740 0.013 0.000 0.207 424 N C 1.098 176.592 175.510 -0.026 0.000 1.141 424 N CA 0.107 53.182 53.050 0.041 0.000 0.830 424 N CB -0.726 37.805 38.487 0.073 0.000 1.008 424 N HN 0.370 nan 8.380 nan 0.000 0.481 425 R N 0.488 120.958 120.500 -0.050 0.000 2.103 425 R HA -0.049 4.299 4.340 0.013 0.000 0.242 425 R C 1.396 177.598 176.300 -0.164 0.000 1.142 425 R CA 1.454 57.500 56.100 -0.090 0.000 0.960 425 R CB -0.075 30.173 30.300 -0.086 0.000 0.858 425 R HN 0.298 nan 8.270 nan 0.000 0.439 426 L N -0.502 120.561 121.223 -0.266 0.000 2.202 426 L HA -0.012 4.336 4.340 0.013 0.000 0.205 426 L C 2.549 179.278 176.870 -0.234 0.000 1.083 426 L CA 1.326 55.889 54.840 -0.462 0.000 0.790 426 L CB -0.532 40.995 42.059 -0.887 0.000 0.942 426 L HN 0.376 nan 8.230 nan 0.000 0.452 427 T N -4.308 110.141 114.554 -0.175 0.000 3.007 427 T HA -0.162 4.196 4.350 0.013 0.000 0.270 427 T C 1.297 175.903 174.700 -0.157 0.000 1.107 427 T CA 1.199 63.181 62.100 -0.198 0.000 1.118 427 T CB -0.212 68.501 68.868 -0.258 0.000 0.889 427 T HN 0.110 nan 8.240 nan 0.000 0.506 428 D N 1.109 121.455 120.400 -0.090 0.000 2.349 428 D HA 0.098 4.745 4.640 0.013 0.000 0.214 428 D C -0.154 176.124 176.300 -0.036 0.000 1.063 428 D CA -0.162 53.797 54.000 -0.068 0.000 0.847 428 D CB -0.099 40.670 40.800 -0.051 0.000 0.933 428 D HN 0.343 nan 8.370 nan 0.000 0.513 429 D N -0.067 120.328 120.400 -0.008 0.000 2.274 429 D HA 0.104 4.752 4.640 0.013 0.000 0.239 429 D C -1.582 174.766 176.300 0.081 0.000 1.104 429 D CA -2.188 51.844 54.000 0.053 0.000 0.840 429 D CB 1.975 42.850 40.800 0.125 0.000 1.100 429 D HN -0.030 nan 8.370 nan 0.000 0.477 430 P HA -0.148 nan 4.420 nan 0.000 0.219 430 P C 0.950 178.252 177.300 0.004 0.000 1.146 430 P CA 0.850 63.957 63.100 0.011 0.000 0.808 430 P CB 0.302 31.998 31.700 -0.007 0.000 0.779 431 R N -1.861 118.651 120.500 0.019 0.000 2.237 431 R HA -0.080 4.268 4.340 0.013 0.000 0.219 431 R C 1.591 177.772 176.300 -0.200 0.000 1.080 431 R CA 1.136 57.185 56.100 -0.084 0.000 0.995 431 R CB -0.527 29.716 30.300 -0.095 0.000 0.875 431 R HN 0.335 nan 8.270 nan 0.000 0.462 432 W N -0.412 120.833 121.300 -0.093 0.000 3.220 432 W HA 0.146 4.814 4.660 0.013 0.000 0.328 432 W C 1.442 177.900 176.519 -0.101 0.000 1.205 432 W CA -0.545 56.744 57.345 -0.093 0.000 1.773 432 W CB 0.141 29.544 29.460 -0.095 0.000 1.086 432 W HN -0.004 nan 8.180 nan 0.000 0.622 433 L N 2.155 123.405 121.223 0.044 0.000 2.042 433 L HA -0.043 4.304 4.340 0.013 0.000 0.210 433 L C -0.736 176.097 176.870 -0.062 0.000 1.076 433 L CA 2.244 57.070 54.840 -0.023 0.000 0.749 433 L CB -1.658 40.376 42.059 -0.041 0.000 0.893 433 L HN -0.237 nan 8.230 nan 0.000 0.432 434 P HA -0.169 nan 4.420 nan 0.000 0.214 434 P C 1.635 178.878 177.300 -0.096 0.000 1.163 434 P CA 2.253 65.287 63.100 -0.109 0.000 0.883 434 P CB -0.229 31.395 31.700 -0.126 0.000 0.788 435 A N -1.152 121.623 122.820 -0.076 0.000 1.902 435 A HA -0.204 4.124 4.320 0.013 0.000 0.217 435 A C 2.254 179.848 177.584 0.018 0.000 1.181 435 A CA 1.965 53.991 52.037 -0.019 0.000 0.623 435 A CB -1.483 17.531 19.000 0.023 0.000 0.818 435 A HN 0.102 nan 8.150 nan 0.000 0.443 436 M N 0.345 119.966 119.600 0.036 0.000 2.117 436 M HA -0.165 4.322 4.480 0.013 0.000 0.262 436 M C 2.572 178.819 176.300 -0.088 0.000 1.065 436 M CA 1.821 57.120 55.300 -0.002 0.000 1.114 436 M CB -0.435 32.147 32.600 -0.029 0.000 1.361 436 M HN 0.678 nan 8.290 nan 0.000 0.408 437 S N 0.269 115.885 115.700 -0.140 0.000 2.374 437 S HA -0.216 4.262 4.470 0.013 0.000 0.227 437 S C 1.614 176.043 174.600 -0.284 0.000 1.037 437 S CA 1.648 59.696 58.200 -0.255 0.000 1.024 437 S CB -0.728 62.297 63.200 -0.292 0.000 0.861 437 S HN 0.533 nan 8.310 nan 0.000 0.456 438 E N 0.998 121.082 120.200 -0.194 0.000 2.150 438 E HA -0.061 4.297 4.350 0.013 0.000 0.193 438 E C 2.428 178.940 176.600 -0.146 0.000 0.985 438 E CA 0.750 57.042 56.400 -0.180 0.000 0.814 438 E CB -0.107 29.523 29.700 -0.116 0.000 0.752 438 E HN 0.573 nan 8.360 nan 0.000 0.466 439 R N -0.011 120.434 120.500 -0.092 0.000 2.115 439 R HA -0.078 4.270 4.340 0.013 0.000 0.230 439 R C 2.243 178.501 176.300 -0.070 0.000 1.111 439 R CA 0.789 56.866 56.100 -0.038 0.000 0.976 439 R CB 0.026 30.344 30.300 0.029 0.000 0.870 439 R HN 0.027 nan 8.270 nan 0.000 0.445 440 V N 0.143 119.972 119.914 -0.142 0.000 2.426 440 V HA -0.166 3.962 4.120 0.013 0.000 0.242 440 V C 2.466 178.389 176.094 -0.285 0.000 1.036 440 V CA 2.068 64.266 62.300 -0.169 0.000 1.044 440 V CB -0.169 31.549 31.823 -0.174 0.000 0.688 440 V HN 0.519 nan 8.190 nan 0.000 0.462 441 T N -0.717 113.550 114.554 -0.478 0.000 2.746 441 T HA -0.238 4.120 4.350 0.013 0.000 0.267 441 T C 1.939 176.480 174.700 -0.265 0.000 1.039 441 T CA 1.371 63.098 62.100 -0.622 0.000 1.142 441 T CB -0.419 67.871 68.868 -0.965 0.000 0.866 441 T HN 0.391 nan 8.240 nan 0.000 0.444 442 R N 0.341 120.708 120.500 -0.222 0.000 2.148 442 R HA 0.183 4.530 4.340 0.013 0.000 0.227 442 R C 2.626 178.843 176.300 -0.138 0.000 1.103 442 R CA 1.364 57.370 56.100 -0.157 0.000 0.983 442 R CB -0.455 29.761 30.300 -0.138 0.000 0.874 442 R HN 0.510 nan 8.270 nan 0.000 0.451 443 M N 0.492 120.016 119.600 -0.127 0.000 2.156 443 M HA -0.111 4.377 4.480 0.013 0.000 0.264 443 M C 1.787 177.996 176.300 -0.152 0.000 1.067 443 M CA 1.566 56.818 55.300 -0.080 0.000 1.131 443 M CB 0.160 32.759 32.600 -0.002 0.000 1.368 443 M HN -0.035 nan 8.290 nan 0.000 0.416 444 V N 1.268 120.982 119.914 -0.334 0.000 2.343 444 V HA -0.283 3.845 4.120 0.013 0.000 0.247 444 V C 2.278 178.252 176.094 -0.200 0.000 1.051 444 V CA 2.004 63.981 62.300 -0.538 0.000 1.036 444 V CB -0.999 30.472 31.823 -0.587 0.000 0.654 444 V HN 0.593 nan 8.190 nan 0.000 0.451 445 Q N -0.555 119.164 119.800 -0.134 0.000 2.170 445 Q HA -0.226 4.122 4.340 0.013 0.000 0.203 445 Q C 2.456 178.359 176.000 -0.162 0.000 0.976 445 Q CA 1.589 57.320 55.803 -0.121 0.000 0.858 445 Q CB -0.188 28.503 28.738 -0.077 0.000 0.907 445 Q HN 0.545 nan 8.270 nan 0.000 0.433 446 R N 0.322 120.722 120.500 -0.167 0.000 2.080 446 R HA -0.083 4.264 4.340 0.013 0.000 0.222 446 R C 0.615 176.832 176.300 -0.138 0.000 1.107 446 R CA 1.249 57.225 56.100 -0.207 0.000 0.980 446 R CB 0.409 30.592 30.300 -0.194 0.000 0.879 446 R HN 0.139 nan 8.270 nan 0.000 0.439 447 D N -0.115 120.270 120.400 -0.026 0.000 2.369 447 D HA -0.016 4.632 4.640 0.013 0.000 0.211 447 D C 1.363 177.765 176.300 0.170 0.000 1.077 447 D CA 0.163 54.199 54.000 0.059 0.000 0.842 447 D CB 0.215 41.004 40.800 -0.018 0.000 0.947 447 D HN 0.361 nan 8.370 nan 0.000 0.509 448 R N 0.595 121.210 120.500 0.191 0.000 2.241 448 R HA -0.005 4.343 4.340 0.013 0.000 0.224 448 R C 0.743 177.038 176.300 -0.008 0.000 1.101 448 R CA 0.917 57.138 56.100 0.202 0.000 0.995 448 R CB -0.243 30.124 30.300 0.113 0.000 0.870 448 R HN -0.076 nan 8.270 nan 0.000 0.463 449 N N 0.218 118.840 118.700 -0.129 0.000 2.280 449 N HA 0.006 4.754 4.740 0.013 0.000 0.192 449 N C -0.522 174.848 175.510 -0.233 0.000 1.109 449 N CA 0.178 53.126 53.050 -0.171 0.000 0.855 449 N CB 0.100 38.468 38.487 -0.197 0.000 0.974 449 N HN 0.276 nan 8.380 nan 0.000 0.482 450 H N 1.480 120.484 119.070 -0.110 0.000 2.819 450 H HA 0.081 4.645 4.556 0.013 0.000 0.303 450 H C -1.177 173.998 175.328 -0.255 0.000 1.058 450 H CA -1.066 54.901 56.048 -0.135 0.000 1.471 450 H CB 1.429 31.140 29.762 -0.085 0.000 1.480 450 H HN 0.071 nan 8.280 nan 0.000 0.517 451 P HA -0.141 nan 4.420 nan 0.000 0.219 451 P C 1.421 178.243 177.300 -0.796 0.000 1.150 451 P CA 1.070 63.806 63.100 -0.605 0.000 0.814 451 P CB 0.265 31.374 31.700 -0.986 0.000 0.787 452 S N -0.684 114.659 115.700 -0.595 0.000 2.419 452 S HA -0.053 4.425 4.470 0.013 0.000 0.233 452 S C 1.125 175.687 174.600 -0.063 0.000 1.016 452 S CA 0.425 58.444 58.200 -0.302 0.000 0.974 452 S CB -1.565 61.642 63.200 0.012 0.000 0.786 452 S HN -0.060 nan 8.310 nan 0.000 0.492 453 V N 3.682 123.529 119.914 -0.111 0.000 2.446 453 V HA 0.213 4.341 4.120 0.013 0.000 0.276 453 V C 1.133 177.082 176.094 -0.242 0.000 1.030 453 V CA 0.057 62.258 62.300 -0.164 0.000 1.033 453 V CB 0.313 31.939 31.823 -0.328 0.000 0.993 453 V HN 0.632 nan 8.190 nan 0.000 0.477 454 I N 2.577 123.061 120.570 -0.144 0.000 4.187 454 I HA 0.511 4.689 4.170 0.013 0.000 0.326 454 I C 0.376 176.379 176.117 -0.190 0.000 1.302 454 I CA 0.507 61.729 61.300 -0.130 0.000 1.196 454 I CB 0.502 38.500 38.000 -0.003 0.000 1.095 454 I HN 0.324 nan 8.210 nan 0.000 0.411 455 I N 0.270 120.705 120.570 -0.224 0.000 2.692 455 I HA 0.345 4.523 4.170 0.013 0.000 0.293 455 I C -1.579 174.450 176.117 -0.146 0.000 1.200 455 I CA -0.386 60.830 61.300 -0.140 0.000 1.036 455 I CB 2.113 40.121 38.000 0.013 0.000 1.258 455 I HN 0.034 nan 8.210 nan 0.000 0.421 456 W N 4.005 125.349 121.300 0.074 0.000 2.438 456 W HA 0.621 5.287 4.660 0.011 0.000 0.324 456 W C 0.393 176.973 176.519 0.102 0.000 1.119 456 W CA -0.630 56.764 57.345 0.082 0.000 1.221 456 W CB 1.711 31.212 29.460 0.069 0.000 1.253 456 W HN 0.317 nan 8.180 nan 0.000 0.555 457 S N 2.767 118.701 115.700 0.389 0.000 2.521 457 S HA 0.375 4.853 4.470 0.013 0.000 0.295 457 S C 0.242 175.008 174.600 0.276 0.000 1.098 457 S CA -0.715 57.660 58.200 0.293 0.000 0.999 457 S CB 0.833 64.161 63.200 0.212 0.000 1.034 457 S HN 0.582 nan 8.310 nan 0.000 0.483 458 L N 4.078 125.457 121.223 0.259 0.000 2.622 458 L HA 0.315 4.663 4.340 0.013 0.000 0.233 458 L C 1.426 178.369 176.870 0.121 0.000 1.156 458 L CA 0.600 55.517 54.840 0.127 0.000 0.866 458 L CB -1.175 40.861 42.059 -0.037 0.000 0.980 458 L HN 0.995 nan 8.230 nan 0.000 0.448 459 G N -0.100 108.853 108.800 0.254 0.000 2.270 459 G HA2 -0.107 3.861 3.960 0.013 0.000 0.268 459 G HA3 -0.107 3.861 3.960 0.013 0.000 0.268 459 G C -1.696 173.403 174.900 0.332 0.000 1.312 459 G CA -0.534 44.719 45.100 0.255 0.000 1.050 459 G HN 0.172 nan 8.290 nan 0.000 0.474 460 N N -0.067 118.761 118.700 0.213 0.000 2.331 460 N HA 0.476 5.224 4.740 0.013 0.000 0.280 460 N C -0.391 175.057 175.510 -0.102 0.000 1.155 460 N CA 0.086 53.118 53.050 -0.029 0.000 0.822 460 N CB 1.608 39.828 38.487 -0.444 0.000 1.619 460 N HN 0.890 nan 8.380 nan 0.000 0.476 461 E N 0.600 120.639 120.200 -0.268 0.000 2.160 461 E HA -0.177 4.181 4.350 0.013 0.000 0.180 461 E C -0.826 175.671 176.600 -0.172 0.000 1.452 461 E CA 0.808 56.967 56.400 -0.401 0.000 0.683 461 E CB -1.362 27.845 29.700 -0.823 0.000 1.072 461 E HN 0.454 nan 8.360 nan 0.000 0.332 462 S N -0.082 115.665 115.700 0.079 0.000 2.941 462 S HA 0.406 4.884 4.470 0.013 0.000 0.251 462 S C 0.650 175.422 174.600 0.285 0.000 1.029 462 S CA -0.182 58.138 58.200 0.200 0.000 1.062 462 S CB 1.426 64.794 63.200 0.281 0.000 0.977 462 S HN 0.846 nan 8.310 nan 0.000 0.552 463 G N 1.970 110.863 108.800 0.155 0.000 2.641 463 G HA2 -0.267 3.701 3.960 0.013 0.000 0.254 463 G HA3 -0.267 3.701 3.960 0.013 0.000 0.254 463 G C -0.540 174.563 174.900 0.338 0.000 1.315 463 G CA -0.212 44.985 45.100 0.162 0.000 0.907 463 G HN 0.635 nan 8.290 nan 0.000 0.572 464 H N 0.464 119.655 119.070 0.202 0.000 2.800 464 H HA 0.570 5.134 4.556 0.014 0.000 0.322 464 H C 0.342 175.838 175.328 0.281 0.000 0.979 464 H CA -0.093 56.119 56.048 0.274 0.000 1.277 464 H CB 0.661 30.514 29.762 0.150 0.000 1.484 464 H HN 1.016 nan 8.280 nan 0.000 0.512 465 G N 1.597 110.482 108.800 0.141 0.000 2.537 465 G HA2 0.442 4.409 3.960 0.013 0.000 0.308 465 G HA3 0.442 4.409 3.960 0.013 0.000 0.308 465 G C 0.609 175.381 174.900 -0.213 0.000 1.237 465 G CA -0.140 44.891 45.100 -0.116 0.000 0.968 465 G HN 0.687 nan 8.290 nan 0.000 0.481 466 A N 0.679 123.398 122.820 -0.168 0.000 2.024 466 A HA -0.114 4.214 4.320 0.013 0.000 0.220 466 A C 2.121 179.667 177.584 -0.064 0.000 1.164 466 A CA 1.878 53.854 52.037 -0.101 0.000 0.643 466 A CB -0.396 18.569 19.000 -0.058 0.000 0.806 466 A HN 0.542 nan 8.150 nan 0.000 0.451 467 N N -0.318 118.307 118.700 -0.125 0.000 2.223 467 N HA -0.134 4.613 4.740 0.013 0.000 0.185 467 N C 1.345 176.774 175.510 -0.135 0.000 1.016 467 N CA 1.653 54.617 53.050 -0.144 0.000 0.863 467 N CB -0.629 37.733 38.487 -0.208 0.000 0.983 467 N HN 0.790 nan 8.380 nan 0.000 0.429 468 H N 0.171 119.216 119.070 -0.042 0.000 2.357 468 H HA 0.000 4.564 4.556 0.013 0.000 0.301 468 H C 1.240 176.629 175.328 0.102 0.000 1.082 468 H CA 1.177 57.212 56.048 -0.022 0.000 1.342 468 H CB 0.169 29.927 29.762 -0.006 0.000 1.389 468 H HN 0.172 nan 8.280 nan 0.000 0.511 469 D N 0.412 120.951 120.400 0.233 0.000 2.117 469 D HA -0.119 4.528 4.640 0.013 0.000 0.197 469 D C 2.300 178.742 176.300 0.237 0.000 0.987 469 D CA 1.171 55.313 54.000 0.237 0.000 0.829 469 D CB -0.357 40.544 40.800 0.169 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.787 123.695 122.820 0.146 0.000 1.902 470 A HA -0.115 4.213 4.320 0.013 0.000 0.217 470 A C 2.410 180.096 177.584 0.171 0.000 1.181 470 A CA 0.922 53.039 52.037 0.133 0.000 0.623 470 A CB -0.733 18.303 19.000 0.059 0.000 0.818 470 A HN 0.198 nan 8.150 nan 0.000 0.443 471 L N -2.181 119.126 121.223 0.140 0.000 2.156 471 L HA -0.138 4.210 4.340 0.013 0.000 0.208 471 L C 2.550 179.554 176.870 0.223 0.000 1.095 471 L CA 1.452 56.375 54.840 0.139 0.000 0.770 471 L CB -0.685 41.388 42.059 0.024 0.000 0.914 471 L HN 0.591 nan 8.230 nan 0.000 0.439 472 Y N 1.349 121.728 120.300 0.133 0.000 2.097 472 Y HA -0.347 4.210 4.550 0.010 0.000 0.282 472 Y C 2.839 178.818 175.900 0.131 0.000 1.152 472 Y CA 1.891 60.073 58.100 0.137 0.000 1.136 472 Y CB -0.164 38.380 38.460 0.140 0.000 0.975 472 Y HN -0.030 nan 8.280 nan 0.000 0.498 473 R N -0.227 120.402 120.500 0.214 0.000 2.096 473 R HA -0.202 4.146 4.340 0.013 0.000 0.235 473 R C 2.049 178.364 176.300 0.025 0.000 1.127 473 R CA 1.921 58.075 56.100 0.091 0.000 0.968 473 R CB -1.400 29.022 30.300 0.204 0.000 0.861 473 R HN 0.649 nan 8.270 nan 0.000 0.440 474 W N 0.467 121.727 121.300 -0.067 0.000 2.335 474 W HA -0.131 4.537 4.660 0.014 0.000 0.311 474 W C 1.632 178.059 176.519 -0.154 0.000 1.213 474 W CA 1.924 59.214 57.345 -0.092 0.000 1.274 474 W CB -0.267 29.141 29.460 -0.086 0.000 1.148 474 W HN 0.066 nan 8.180 nan 0.000 0.498 475 I N 0.861 121.433 120.570 0.002 0.000 2.179 475 I HA -0.351 3.827 4.170 0.013 0.000 0.242 475 I C 2.423 178.328 176.117 -0.353 0.000 1.088 475 I CA 1.378 62.509 61.300 -0.282 0.000 1.357 475 I CB -0.739 37.164 38.000 -0.162 0.000 1.051 475 I HN -0.087 nan 8.210 nan 0.000 0.409 476 K N 0.724 120.926 120.400 -0.330 0.000 2.152 476 K HA -0.110 4.217 4.320 0.013 0.000 0.206 476 K C 2.226 178.684 176.600 -0.237 0.000 1.048 476 K CA 1.383 57.500 56.287 -0.283 0.000 0.933 476 K CB -0.464 31.837 32.500 -0.333 0.000 0.721 476 K HN 0.287 nan 8.250 nan 0.000 0.447 477 S N 0.765 116.295 115.700 -0.283 0.000 2.371 477 S HA -0.051 4.427 4.470 0.013 0.000 0.224 477 S C 2.180 176.569 174.600 -0.353 0.000 1.029 477 S CA 0.823 58.861 58.200 -0.270 0.000 0.978 477 S CB -0.096 62.950 63.200 -0.258 0.000 0.833 477 S HN 0.002 nan 8.310 nan 0.000 0.466 478 V N 1.228 120.789 119.914 -0.589 0.000 2.719 478 V HA 0.041 4.169 4.120 0.013 0.000 0.252 478 V C 0.349 176.204 176.094 -0.397 0.000 1.065 478 V CA 1.152 63.076 62.300 -0.626 0.000 1.086 478 V CB -0.194 30.887 31.823 -1.236 0.000 0.700 478 V HN 0.381 nan 8.190 nan 0.000 0.467 479 D N -1.019 119.201 120.400 -0.300 0.000 2.381 479 D HA 0.234 4.882 4.640 0.013 0.000 0.245 479 D C -2.243 174.037 176.300 -0.033 0.000 1.297 479 D CA -1.472 52.460 54.000 -0.113 0.000 0.931 479 D CB 1.602 42.410 40.800 0.014 0.000 1.334 479 D HN 0.074 nan 8.370 nan 0.000 0.535 480 P HA -0.022 nan 4.420 nan 0.000 0.242 480 P C 1.120 178.434 177.300 0.023 0.000 1.197 480 P CA 0.432 63.520 63.100 -0.020 0.000 0.765 480 P CB 0.114 31.798 31.700 -0.027 0.000 0.936 481 S N -1.382 114.341 115.700 0.038 0.000 2.561 481 S HA 0.069 4.547 4.470 0.013 0.000 0.225 481 S C 0.871 175.493 174.600 0.037 0.000 0.977 481 S CA -0.097 58.130 58.200 0.045 0.000 0.926 481 S CB -0.350 62.870 63.200 0.034 0.000 0.769 481 S HN 0.063 nan 8.310 nan 0.000 0.533 482 R N 0.914 121.448 120.500 0.057 0.000 2.673 482 R HA 0.547 4.895 4.340 0.013 0.000 0.281 482 R C -3.219 173.128 176.300 0.077 0.000 0.991 482 R CA -2.235 53.868 56.100 0.006 0.000 0.896 482 R CB 1.495 31.687 30.300 -0.180 0.000 1.201 482 R HN 0.126 nan 8.270 nan 0.000 0.457 483 P HA 0.080 nan 4.420 nan 0.000 0.272 483 P C -0.880 176.522 177.300 0.170 0.000 1.230 483 P CA -0.331 62.830 63.100 0.102 0.000 0.788 483 P CB 0.690 32.435 31.700 0.076 0.000 0.949 484 V N 2.625 122.666 119.914 0.212 0.000 2.495 484 V HA 0.404 4.532 4.120 0.013 0.000 0.298 484 V C 0.183 176.460 176.094 0.305 0.000 1.031 484 V CA -0.290 62.182 62.300 0.286 0.000 0.871 484 V CB 1.198 33.159 31.823 0.230 0.000 0.988 484 V HN 0.596 nan 8.190 nan 0.000 0.432 485 Q N 3.861 123.823 119.800 0.270 0.000 2.458 485 Q HA 0.812 5.160 4.340 0.013 0.000 0.282 485 Q C -1.857 174.307 176.000 0.273 0.000 1.106 485 Q CA -0.930 55.000 55.803 0.211 0.000 0.814 485 Q CB 3.014 31.823 28.738 0.118 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N -0.009 120.300 120.300 0.014 0.000 2.409 486 Y HA 0.150 4.707 4.550 0.012 0.000 0.321 486 Y C -0.609 175.226 175.900 -0.109 0.000 1.209 486 Y CA -0.745 57.329 58.100 -0.044 0.000 1.086 486 Y CB 2.050 40.472 38.460 -0.064 0.000 1.320 486 Y HN 0.951 nan 8.280 nan 0.000 0.440 487 E N 3.304 122.992 120.200 -0.853 0.000 2.340 487 E HA 0.144 4.502 4.350 0.013 0.000 0.194 487 E C 0.686 176.821 176.600 -0.775 0.000 0.996 487 E CA 0.704 56.716 56.400 -0.646 0.000 0.869 487 E CB 0.274 29.727 29.700 -0.412 0.000 0.835 487 E HN 0.897 nan 8.360 nan 0.000 0.493 488 G N -0.071 107.860 108.800 -1.449 0.000 2.562 488 G HA2 0.205 4.173 3.960 0.013 0.000 0.233 488 G HA3 0.205 4.173 3.960 0.013 0.000 0.233 488 G C 0.807 175.541 174.900 -0.277 0.000 1.266 488 G CA 0.326 44.992 45.100 -0.723 0.000 0.852 488 G HN 0.347 nan 8.290 nan 0.000 0.581 489 G N -0.558 108.193 108.800 -0.081 0.000 2.160 489 G HA2 0.229 4.197 3.960 0.013 0.000 0.251 489 G HA3 0.229 4.197 3.960 0.013 0.000 0.251 489 G C 1.277 176.181 174.900 0.008 0.000 1.008 489 G CA 1.009 46.129 45.100 0.032 0.000 0.724 489 G HN 2.634 nan 8.290 nan 0.000 0.514 490 G N -1.619 107.177 108.800 -0.008 0.000 2.205 490 G HA2 0.430 4.398 3.960 0.013 0.000 0.180 490 G HA3 0.430 4.398 3.960 0.013 0.000 0.180 490 G C 1.063 176.072 174.900 0.182 0.000 1.004 490 G CA 1.271 46.434 45.100 0.104 0.000 0.670 490 G HN 2.341 nan 8.290 nan 0.000 0.496 491 A N -0.253 122.553 122.820 -0.023 0.000 3.413 491 A HA -0.119 4.208 4.320 0.013 0.000 0.268 491 A C 1.053 178.557 177.584 -0.132 0.000 1.128 491 A CA 2.643 54.604 52.037 -0.127 0.000 1.062 491 A CB -1.764 17.122 19.000 -0.191 0.000 1.121 491 A HN 2.116 nan 8.150 nan 0.000 0.895 492 D N -0.983 119.429 120.400 0.020 0.000 2.785 492 D HA 0.330 4.978 4.640 0.013 0.000 0.324 492 D C 0.347 176.643 176.300 -0.007 0.000 1.523 492 D CA 0.758 54.776 54.000 0.030 0.000 0.789 492 D CB -1.123 39.840 40.800 0.272 0.000 1.171 492 D HN 0.818 nan 8.370 nan 0.000 0.447 493 T N -2.514 111.963 114.554 -0.129 0.000 2.698 493 T HA 0.220 4.578 4.350 0.013 0.000 0.295 493 T C 1.602 176.166 174.700 -0.227 0.000 1.007 493 T CA 0.377 62.328 62.100 -0.247 0.000 0.980 493 T CB 0.890 69.332 68.868 -0.709 0.000 1.036 493 T HN 0.081 nan 8.240 nan 0.000 0.526 494 T N -2.291 112.140 114.554 -0.204 0.000 3.155 494 T HA 0.185 4.542 4.350 0.013 0.000 0.264 494 T C 1.493 175.957 174.700 -0.394 0.000 1.160 494 T CA 0.320 62.310 62.100 -0.183 0.000 1.075 494 T CB -0.510 68.330 68.868 -0.046 0.000 0.921 494 T HN 0.839 nan 8.240 nan 0.000 0.533 495 A N 0.452 123.062 122.820 -0.350 0.000 2.460 495 A HA 0.516 4.844 4.320 0.013 0.000 0.258 495 A C 0.791 178.241 177.584 -0.223 0.000 1.300 495 A CA -0.331 51.488 52.037 -0.363 0.000 0.913 495 A CB 0.070 19.113 19.000 0.072 0.000 1.031 495 A HN 0.416 nan 8.150 nan 0.000 0.512 496 T N -1.448 112.966 114.554 -0.233 0.000 2.952 496 T HA 0.366 4.724 4.350 0.013 0.000 0.305 496 T C -0.618 174.105 174.700 0.038 0.000 1.064 496 T CA -0.432 61.677 62.100 0.014 0.000 1.008 496 T CB 1.260 70.124 68.868 -0.005 0.000 1.078 496 T HN 0.079 nan 8.240 nan 0.000 0.459 497 D N 2.828 123.333 120.400 0.175 0.000 2.348 497 D HA 0.267 4.915 4.640 0.013 0.000 0.211 497 D C 0.325 176.659 176.300 0.057 0.000 0.998 497 D CA 0.728 54.815 54.000 0.144 0.000 0.873 497 D CB 0.374 41.288 40.800 0.190 0.000 0.925 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 0.949 121.534 120.570 0.025 0.000 2.533 498 I HA 0.252 4.430 4.170 0.013 0.000 0.290 498 I C -0.241 175.811 176.117 -0.108 0.000 1.056 498 I CA -0.891 60.388 61.300 -0.035 0.000 1.057 498 I CB 2.781 40.773 38.000 -0.013 0.000 1.240 498 I HN -0.349 nan 8.210 nan 0.000 0.423 499 I N 5.704 126.163 120.570 -0.185 0.000 2.517 499 I HA 0.054 4.232 4.170 0.013 0.000 0.285 499 I C 0.243 176.147 176.117 -0.355 0.000 1.106 499 I CA 0.023 61.112 61.300 -0.351 0.000 1.402 499 I CB 0.220 37.900 38.000 -0.533 0.000 1.399 499 I HN 0.690 nan 8.210 nan 0.000 0.535 500 C N 5.431 124.527 119.300 -0.340 0.000 3.465 500 C HA 0.466 4.934 4.460 0.013 0.000 0.193 500 C C -2.196 172.649 174.990 -0.242 0.000 1.515 500 C CA -2.193 56.683 59.018 -0.238 0.000 1.340 500 C CB -0.910 26.754 27.740 -0.128 0.000 1.928 500 C HN 0.422 nan 8.230 nan 0.000 0.510 501 P HA 0.316 nan 4.420 nan 0.000 0.273 501 P C -0.419 176.817 177.300 -0.106 0.000 1.250 501 P CA 0.292 63.276 63.100 -0.192 0.000 0.793 501 P CB 0.733 32.335 31.700 -0.163 0.000 1.011 502 M N 0.093 119.658 119.600 -0.059 0.000 2.181 502 M HA 0.444 4.932 4.480 0.013 0.000 0.323 502 M C -0.828 175.464 176.300 -0.012 0.000 1.004 502 M CA -0.647 54.517 55.300 -0.227 0.000 0.941 502 M CB 1.120 33.556 32.600 -0.275 0.000 1.579 502 M HN 0.353 nan 8.290 nan 0.000 0.427 503 Y N -0.264 120.206 120.300 0.284 0.000 4.729 503 Y HA -0.220 4.339 4.550 0.014 0.000 0.239 503 Y C 0.544 176.620 175.900 0.293 0.000 1.043 503 Y CA 0.408 58.683 58.100 0.292 0.000 2.045 503 Y CB -2.219 36.391 38.460 0.250 0.000 1.599 503 Y HN 0.979 nan 8.280 nan 0.000 0.655 504 A N 1.317 124.354 122.820 0.362 0.000 2.425 504 A HA 0.566 4.894 4.320 0.013 0.000 0.249 504 A C 0.718 178.528 177.584 0.378 0.000 1.084 504 A CA -0.406 51.848 52.037 0.361 0.000 0.781 504 A CB 0.371 19.623 19.000 0.420 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.484 122.133 120.500 0.248 0.000 2.577 505 R HA 0.329 4.677 4.340 0.013 0.000 0.269 505 R C 0.983 177.252 176.300 -0.051 0.000 1.084 505 R CA -0.736 55.431 56.100 0.111 0.000 1.163 505 R CB 0.589 30.922 30.300 0.055 0.000 1.100 505 R HN 0.479 nan 8.270 nan 0.000 0.547 506 V N 0.699 120.422 119.914 -0.319 0.000 2.270 506 V HA -0.205 3.923 4.120 0.013 0.000 0.245 506 V C 1.003 176.982 176.094 -0.191 0.000 1.043 506 V CA 1.877 63.957 62.300 -0.367 0.000 1.014 506 V CB -0.243 31.239 31.823 -0.568 0.000 0.645 506 V HN 0.748 nan 8.190 nan 0.000 0.447 507 D N -1.452 118.865 120.400 -0.138 0.000 2.454 507 D HA 0.102 4.750 4.640 0.013 0.000 0.214 507 D C 0.898 177.180 176.300 -0.029 0.000 1.088 507 D CA 0.074 54.029 54.000 -0.076 0.000 0.855 507 D CB 0.680 41.440 40.800 -0.066 0.000 1.025 507 D HN 0.479 nan 8.370 nan 0.000 0.502 508 E N 1.824 122.011 120.200 -0.021 0.000 2.200 508 E HA 0.109 4.467 4.350 0.013 0.000 0.283 508 E C -0.838 175.763 176.600 0.001 0.000 1.015 508 E CA -0.593 55.803 56.400 -0.006 0.000 0.819 508 E CB 0.975 30.673 29.700 -0.004 0.000 1.081 508 E HN -0.174 nan 8.360 nan 0.000 0.397 509 D N 3.562 123.965 120.400 0.005 0.000 2.304 509 D HA 0.131 4.779 4.640 0.013 0.000 0.247 509 D C -0.546 175.648 176.300 -0.177 0.000 1.089 509 D CA 0.159 54.154 54.000 -0.007 0.000 0.910 509 D CB 1.176 42.053 40.800 0.128 0.000 1.199 509 D HN 0.410 nan 8.370 nan 0.000 0.426 510 Q N 1.426 120.987 119.800 -0.398 0.000 2.932 510 Q HA 0.233 4.580 4.340 0.013 0.000 0.248 510 Q C -2.241 173.104 176.000 -1.092 0.000 0.982 510 Q CA -1.487 53.872 55.803 -0.741 0.000 0.730 510 Q CB 2.306 30.593 28.738 -0.751 0.000 1.249 510 Q HN 0.184 nan 8.270 nan 0.000 0.476 511 P HA 0.005 nan 4.420 nan 0.000 0.226 511 P C -0.681 176.308 177.300 -0.518 0.000 1.783 511 P CA -0.055 62.620 63.100 -0.708 0.000 0.980 511 P CB -0.613 30.907 31.700 -0.299 0.000 1.967 512 F N 2.498 122.273 119.950 -0.292 0.000 2.518 512 F HA 0.168 4.703 4.527 0.013 0.000 0.359 512 F C -1.109 174.589 175.800 -0.170 0.000 1.118 512 F CA -2.394 55.497 58.000 -0.181 0.000 1.287 512 F CB -0.528 38.384 39.000 -0.146 0.000 1.132 512 F HN 0.087 nan 8.300 nan 0.000 0.587 513 P HA 0.100 nan 4.420 nan 0.000 0.268 513 P C 0.331 177.656 177.300 0.042 0.000 1.204 513 P CA 0.866 63.991 63.100 0.042 0.000 0.768 513 P CB 1.189 32.912 31.700 0.038 0.000 0.842 514 A N 2.936 125.771 122.820 0.026 0.000 2.617 514 A HA -0.247 4.081 4.320 0.013 0.000 0.236 514 A C 0.737 178.337 177.584 0.027 0.000 0.551 514 A CA 1.942 53.998 52.037 0.032 0.000 1.144 514 A CB -2.710 16.308 19.000 0.031 0.000 1.384 514 A HN 0.709 nan 8.150 nan 0.000 0.694 515 V N -2.822 117.105 119.914 0.022 0.000 2.454 515 V HA 0.568 4.696 4.120 0.013 0.000 0.255 515 V C -2.412 173.678 176.094 -0.006 0.000 1.009 515 V CA -1.302 61.012 62.300 0.023 0.000 1.149 515 V CB 0.549 32.391 31.823 0.032 0.000 1.418 515 V HN 0.472 nan 8.190 nan 0.000 0.567 516 P HA 0.283 nan 4.420 nan 0.000 0.272 516 P C -0.606 176.259 177.300 -0.723 0.000 1.223 516 P CA 0.091 62.791 63.100 -0.667 0.000 0.784 516 P CB 0.973 31.763 31.700 -1.517 0.000 0.923 517 K N 2.134 122.150 120.400 -0.640 0.000 2.419 517 K HA 0.207 4.535 4.320 0.013 0.000 0.244 517 K C -0.455 175.848 176.600 -0.494 0.000 1.045 517 K CA -0.268 55.851 56.287 -0.280 0.000 1.004 517 K CB 0.379 32.963 32.500 0.140 0.000 1.376 517 K HN 0.471 nan 8.250 nan 0.000 0.460 518 W N 1.443 122.429 121.300 -0.524 0.000 2.126 518 W HA 0.029 4.699 4.660 0.016 0.000 0.346 518 W C 1.358 177.870 176.519 -0.011 0.000 1.279 518 W CA -0.470 56.654 57.345 -0.367 0.000 1.259 518 W CB 0.470 29.548 29.460 -0.638 0.000 1.133 518 W HN 0.382 nan 8.180 nan 0.000 0.592 519 S N 3.247 119.093 115.700 0.244 0.000 2.558 519 S HA -0.081 4.397 4.470 0.013 0.000 0.291 519 S C 1.141 175.882 174.600 0.235 0.000 1.306 519 S CA -0.126 58.167 58.200 0.155 0.000 1.056 519 S CB 0.210 63.451 63.200 0.069 0.000 0.836 519 S HN 0.518 nan 8.310 nan 0.000 0.504 520 I N 1.951 122.629 120.570 0.179 0.000 2.361 520 I HA -0.134 4.044 4.170 0.013 0.000 0.251 520 I C 2.066 178.209 176.117 0.043 0.000 1.133 520 I CA 1.189 62.600 61.300 0.184 0.000 1.413 520 I CB -0.431 37.625 38.000 0.095 0.000 1.073 520 I HN 0.611 nan 8.210 nan 0.000 0.424 521 K N 1.593 121.911 120.400 -0.136 0.000 2.057 521 K HA -0.177 4.151 4.320 0.013 0.000 0.207 521 K C 2.296 178.876 176.600 -0.033 0.000 1.049 521 K CA 1.760 57.868 56.287 -0.299 0.000 0.931 521 K CB -0.226 32.022 32.500 -0.420 0.000 0.714 521 K HN 0.381 nan 8.250 nan 0.000 0.440 522 K N 0.213 120.623 120.400 0.017 0.000 2.103 522 K HA -0.171 4.157 4.320 0.013 0.000 0.204 522 K C 1.926 178.547 176.600 0.036 0.000 1.052 522 K CA 0.859 57.147 56.287 0.001 0.000 0.945 522 K CB -0.062 32.407 32.500 -0.052 0.000 0.722 522 K HN 0.224 nan 8.250 nan 0.000 0.443 523 W N 2.107 123.397 121.300 -0.016 0.000 2.335 523 W HA -0.196 4.469 4.660 0.008 0.000 0.311 523 W C 1.636 178.146 176.519 -0.016 0.000 1.213 523 W CA 1.159 58.513 57.345 0.015 0.000 1.274 523 W CB -0.683 28.856 29.460 0.132 0.000 1.148 523 W HN 0.086 nan 8.180 nan 0.000 0.498 524 L N 0.818 122.210 121.223 0.281 0.000 2.043 524 L HA -0.268 4.080 4.340 0.013 0.000 0.212 524 L C 2.227 179.171 176.870 0.123 0.000 1.075 524 L CA 2.111 57.050 54.840 0.164 0.000 0.752 524 L CB -1.083 41.058 42.059 0.136 0.000 0.891 524 L HN -0.015 nan 8.230 nan 0.000 0.432 525 S N -1.369 114.385 115.700 0.091 0.000 2.614 525 S HA 0.258 4.736 4.470 0.013 0.000 0.230 525 S C 0.565 175.158 174.600 -0.012 0.000 0.952 525 S CA -0.519 57.706 58.200 0.041 0.000 0.949 525 S CB -0.472 62.750 63.200 0.037 0.000 0.786 525 S HN 0.152 nan 8.310 nan 0.000 0.478 526 L N 1.934 123.141 121.223 -0.026 0.000 2.499 526 L HA 0.192 4.539 4.340 0.013 0.000 0.281 526 L C -2.168 174.672 176.870 -0.050 0.000 1.234 526 L CA -1.627 53.149 54.840 -0.108 0.000 0.839 526 L CB -0.239 41.740 42.059 -0.133 0.000 1.104 526 L HN 0.034 nan 8.230 nan 0.000 0.500 527 P HA -0.040 nan 4.420 nan 0.000 0.260 527 P C 0.692 177.986 177.300 -0.010 0.000 1.172 527 P CA 1.107 64.184 63.100 -0.038 0.000 0.760 527 P CB 0.481 32.152 31.700 -0.047 0.000 0.773 528 G N 1.744 110.545 108.800 0.002 0.000 2.212 528 G HA2 -0.289 3.679 3.960 0.013 0.000 0.266 528 G HA3 -0.289 3.679 3.960 0.013 0.000 0.266 528 G C 0.309 175.227 174.900 0.030 0.000 0.978 528 G CA 0.228 45.338 45.100 0.016 0.000 0.632 528 G HN 0.608 nan 8.290 nan 0.000 0.537 529 E N 0.808 121.032 120.200 0.040 0.000 2.331 529 E HA 0.613 4.971 4.350 0.013 0.000 0.272 529 E C 1.338 177.968 176.600 0.049 0.000 1.036 529 E CA 0.602 57.039 56.400 0.063 0.000 0.864 529 E CB 0.804 30.570 29.700 0.109 0.000 1.035 529 E HN 0.546 nan 8.360 nan 0.000 0.408 530 T N 0.321 114.900 114.554 0.042 0.000 3.186 530 T HA 0.332 4.690 4.350 0.013 0.000 0.292 530 T C 0.511 175.224 174.700 0.023 0.000 0.915 530 T CA -0.482 61.637 62.100 0.031 0.000 0.902 530 T CB 0.046 68.930 68.868 0.027 0.000 1.192 530 T HN 0.253 nan 8.240 nan 0.000 0.563 531 R N 2.352 122.862 120.500 0.017 0.000 2.637 531 R HA 0.471 4.819 4.340 0.013 0.000 0.269 531 R C -2.548 173.737 176.300 -0.024 0.000 1.089 531 R CA -1.791 54.307 56.100 -0.003 0.000 1.177 531 R CB 0.088 30.378 30.300 -0.017 0.000 1.091 531 R HN 0.220 nan 8.270 nan 0.000 0.540 532 P HA 0.090 nan 4.420 nan 0.000 0.274 532 P C -1.078 176.157 177.300 -0.107 0.000 1.237 532 P CA -0.126 62.938 63.100 -0.060 0.000 0.793 532 P CB 0.683 32.346 31.700 -0.060 0.000 0.977 533 L N 2.587 123.728 121.223 -0.137 0.000 2.376 533 L HA 0.576 4.924 4.340 0.013 0.000 0.275 533 L C -1.029 175.703 176.870 -0.230 0.000 0.987 533 L CA -0.587 54.132 54.840 -0.201 0.000 0.828 533 L CB 0.646 42.586 42.059 -0.200 0.000 1.249 533 L HN 0.238 nan 8.230 nan 0.000 0.409 534 I N 5.636 126.072 120.570 -0.222 0.000 2.500 534 I HA 0.255 4.433 4.170 0.013 0.000 0.286 534 I C -0.832 175.192 176.117 -0.154 0.000 1.063 534 I CA -0.554 60.597 61.300 -0.248 0.000 1.062 534 I CB 2.001 39.909 38.000 -0.154 0.000 1.223 534 I HN 0.447 nan 8.210 nan 0.000 0.435 535 L N 5.486 126.590 121.223 -0.198 0.000 2.455 535 L HA 0.056 4.403 4.340 0.013 0.000 0.272 535 L C 1.484 178.436 176.870 0.136 0.000 1.174 535 L CA -0.129 54.665 54.840 -0.077 0.000 0.869 535 L CB 0.652 42.650 42.059 -0.103 0.000 1.130 535 L HN 0.860 nan 8.230 nan 0.000 0.474 536 C N 0.054 119.408 119.300 0.091 0.000 2.446 536 C HA 0.143 4.611 4.460 0.013 0.000 0.279 536 C C 0.606 175.739 174.990 0.238 0.000 1.366 536 C CA -0.139 58.977 59.018 0.162 0.000 1.763 536 C CB -1.083 26.662 27.740 0.009 0.000 1.929 536 C HN 0.833 nan 8.230 nan 0.000 0.509 537 E N -0.883 119.380 120.200 0.104 0.000 2.352 537 E HA 0.635 4.993 4.350 0.013 0.000 0.280 537 E C -1.332 175.213 176.600 -0.091 0.000 0.930 537 E CA -0.451 56.005 56.400 0.092 0.000 0.765 537 E CB 1.961 31.575 29.700 -0.145 0.000 1.219 537 E HN 0.677 nan 8.360 nan 0.000 0.434 538 Y N -1.380 118.897 120.300 -0.038 0.000 2.689 538 Y HA 0.635 5.194 4.550 0.015 0.000 0.333 538 Y C -0.752 175.332 175.900 0.307 0.000 1.208 538 Y CA -0.969 57.133 58.100 0.004 0.000 1.055 538 Y CB 0.885 39.181 38.460 -0.275 0.000 1.304 538 Y HN 0.692 nan 8.280 nan 0.000 0.455 539 A N 1.847 124.751 122.820 0.139 0.000 2.303 539 A HA -0.264 4.063 4.320 0.013 0.000 0.286 539 A C -0.412 177.318 177.584 0.242 0.000 1.429 539 A CA 1.057 53.168 52.037 0.125 0.000 0.738 539 A CB -2.448 16.523 19.000 -0.047 0.000 1.149 539 A HN 1.069 nan 8.150 nan 0.000 0.364 540 H N 0.882 120.133 119.070 0.302 0.000 3.253 540 H HA 0.274 4.838 4.556 0.013 0.000 0.250 540 H C 1.145 176.565 175.328 0.153 0.000 1.051 540 H CA 0.823 57.060 56.048 0.315 0.000 1.458 540 H CB 0.375 30.218 29.762 0.137 0.000 1.549 540 H HN 0.785 nan 8.280 nan 0.000 0.506 541 A N 6.406 129.153 122.820 -0.122 0.000 2.543 541 A HA 0.036 4.364 4.320 0.013 0.000 0.258 541 A C 1.020 178.473 177.584 -0.217 0.000 1.391 541 A CA -0.377 51.562 52.037 -0.165 0.000 1.066 541 A CB -0.653 18.238 19.000 -0.181 0.000 0.972 541 A HN 0.804 nan 8.150 nan 0.000 0.560 542 M N 1.452 120.906 119.600 -0.244 0.000 2.266 542 M HA 0.412 4.900 4.480 0.013 0.000 0.340 542 M C 1.018 177.164 176.300 -0.257 0.000 1.486 542 M CA 1.249 56.415 55.300 -0.223 0.000 1.209 542 M CB -0.519 32.017 32.600 -0.107 0.000 1.714 542 M HN 0.788 nan 8.290 nan 0.000 0.459 543 G N 4.282 112.902 108.800 -0.299 0.000 2.550 543 G HA2 -0.344 3.624 3.960 0.013 0.000 0.277 543 G HA3 -0.344 3.624 3.960 0.013 0.000 0.277 543 G C -0.254 174.138 174.900 -0.847 0.000 1.190 543 G CA 0.087 44.832 45.100 -0.591 0.000 0.971 543 G HN 0.840 nan 8.290 nan 0.000 0.559 544 N N 1.251 119.277 118.700 -1.123 0.000 2.421 544 N HA 0.523 5.271 4.740 0.013 0.000 0.260 544 N C -0.046 175.214 175.510 -0.418 0.000 1.173 544 N CA 1.078 53.651 53.050 -0.796 0.000 0.960 544 N CB 0.602 38.639 38.487 -0.751 0.000 1.273 544 N HN 0.851 nan 8.380 nan 0.000 0.497 545 S N 2.266 117.811 115.700 -0.257 0.000 2.880 545 S HA 0.618 5.096 4.470 0.013 0.000 0.308 545 S C -0.292 174.250 174.600 -0.096 0.000 1.195 545 S CA -0.369 57.735 58.200 -0.160 0.000 0.866 545 S CB 0.142 63.265 63.200 -0.128 0.000 1.254 545 S HN 0.407 nan 8.310 nan 0.000 0.571 546 L N 0.160 121.356 121.223 -0.044 0.000 4.639 546 L HA -0.048 4.299 4.340 0.013 0.000 0.402 546 L C 0.487 177.399 176.870 0.071 0.000 1.069 546 L CA 0.904 55.739 54.840 -0.008 0.000 1.105 546 L CB -1.708 40.260 42.059 -0.152 0.000 2.122 546 L HN 0.749 nan 8.230 nan 0.000 0.662 547 G N -0.693 108.120 108.800 0.021 0.000 2.365 547 G HA2 0.474 4.442 3.960 0.013 0.000 0.249 547 G HA3 0.474 4.442 3.960 0.013 0.000 0.249 547 G C 1.231 176.177 174.900 0.078 0.000 1.288 547 G CA 0.198 45.289 45.100 -0.016 0.000 0.887 547 G HN 1.434 nan 8.290 nan 0.000 0.524 548 G N 1.599 110.432 108.800 0.054 0.000 2.157 548 G HA2 -0.313 3.655 3.960 0.013 0.000 0.248 548 G HA3 -0.313 3.655 3.960 0.013 0.000 0.248 548 G C 0.953 176.045 174.900 0.320 0.000 0.979 548 G CA 0.730 45.919 45.100 0.148 0.000 0.650 548 G HN 0.773 nan 8.290 nan 0.000 0.529 549 F N 1.742 121.819 119.950 0.212 0.000 2.134 549 F HA 0.191 4.727 4.527 0.014 0.000 0.299 549 F C 2.652 178.671 175.800 0.366 0.000 1.097 549 F CA 2.358 60.562 58.000 0.340 0.000 1.264 549 F CB -0.402 38.737 39.000 0.231 0.000 1.001 549 F HN 0.331 nan 8.300 nan 0.000 0.479 550 A N -0.263 122.732 122.820 0.292 0.000 2.024 550 A HA -0.242 4.086 4.320 0.013 0.000 0.220 550 A C 2.293 179.904 177.584 0.045 0.000 1.164 550 A CA 1.741 53.878 52.037 0.167 0.000 0.643 550 A CB -0.814 18.288 19.000 0.169 0.000 0.806 550 A HN 0.450 nan 8.150 nan 0.000 0.451 551 K N -1.557 118.851 120.400 0.013 0.000 2.057 551 K HA -0.185 4.143 4.320 0.013 0.000 0.207 551 K C 1.724 178.098 176.600 -0.376 0.000 1.049 551 K CA 1.718 57.923 56.287 -0.137 0.000 0.931 551 K CB -0.315 32.108 32.500 -0.128 0.000 0.714 551 K HN 0.591 nan 8.250 nan 0.000 0.440 552 Y N -0.787 119.243 120.300 -0.449 0.000 2.114 552 Y HA -0.256 4.301 4.550 0.012 0.000 0.284 552 Y C 2.067 177.028 175.900 -1.565 0.000 1.143 552 Y CA 1.627 59.104 58.100 -1.038 0.000 1.135 552 Y CB -0.335 37.519 38.460 -1.010 0.000 0.980 552 Y HN 0.182 nan 8.280 nan 0.000 0.499 553 W N 0.063 120.934 121.300 -0.715 0.000 2.338 553 W HA -0.229 4.440 4.660 0.015 0.000 0.304 553 W C 2.636 178.986 176.519 -0.282 0.000 1.212 553 W CA 1.625 58.683 57.345 -0.479 0.000 1.264 553 W CB -0.729 28.541 29.460 -0.317 0.000 1.142 553 W HN 0.067 nan 8.180 nan 0.000 0.512 554 Q N 0.752 120.472 119.800 -0.133 0.000 2.096 554 Q HA -0.191 4.156 4.340 0.013 0.000 0.204 554 Q C 2.180 178.125 176.000 -0.091 0.000 0.982 554 Q CA 2.144 57.907 55.803 -0.067 0.000 0.850 554 Q CB -0.608 28.104 28.738 -0.044 0.000 0.901 554 Q HN 0.283 nan 8.270 nan 0.000 0.422 555 A N -0.054 122.623 122.820 -0.238 0.000 1.898 555 A HA -0.105 4.223 4.320 0.013 0.000 0.216 555 A C 2.051 179.617 177.584 -0.029 0.000 1.181 555 A CA 1.064 52.994 52.037 -0.178 0.000 0.620 555 A CB -1.063 17.709 19.000 -0.379 0.000 0.819 555 A HN 0.472 nan 8.150 nan 0.000 0.442 556 F N -0.337 119.440 119.950 -0.288 0.000 2.126 556 F HA -0.229 4.306 4.527 0.013 0.000 0.299 556 F C 2.786 178.489 175.800 -0.161 0.000 1.096 556 F CA 1.174 58.973 58.000 -0.336 0.000 1.255 556 F CB -0.184 38.380 39.000 -0.728 0.000 0.997 556 F HN 0.161 nan 8.300 nan 0.000 0.479 557 R N 0.034 120.584 120.500 0.084 0.000 2.090 557 R HA -0.170 4.178 4.340 0.013 0.000 0.228 557 R C 2.146 178.477 176.300 0.053 0.000 1.110 557 R CA 1.240 57.375 56.100 0.059 0.000 0.973 557 R CB -0.430 29.902 30.300 0.052 0.000 0.869 557 R HN 0.374 nan 8.270 nan 0.000 0.440 558 Q N -0.369 119.487 119.800 0.094 0.000 2.187 558 Q HA -0.069 4.279 4.340 0.013 0.000 0.199 558 Q C -0.421 175.593 176.000 0.024 0.000 0.957 558 Q CA 0.971 56.819 55.803 0.074 0.000 0.857 558 Q CB 0.347 29.164 28.738 0.132 0.000 0.929 558 Q HN 0.197 nan 8.270 nan 0.000 0.453 559 Y N 0.141 120.424 120.300 -0.029 0.000 2.353 559 Y HA 0.240 4.797 4.550 0.011 0.000 0.340 559 Y C -1.756 174.120 175.900 -0.040 0.000 0.972 559 Y CA -2.670 55.413 58.100 -0.028 0.000 1.157 559 Y CB 1.461 39.909 38.460 -0.019 0.000 1.157 559 Y HN 0.129 nan 8.280 nan 0.000 0.495 560 P HA -0.193 nan 4.420 nan 0.000 0.215 560 P C 1.136 178.440 177.300 0.007 0.000 1.157 560 P CA 1.914 65.013 63.100 -0.002 0.000 0.874 560 P CB 0.288 31.971 31.700 -0.028 0.000 0.790 561 R N -1.165 119.359 120.500 0.040 0.000 2.316 561 R HA 0.055 4.403 4.340 0.013 0.000 0.202 561 R C 0.443 176.732 176.300 -0.019 0.000 1.029 561 R CA 0.207 56.315 56.100 0.014 0.000 1.018 561 R CB -0.596 29.721 30.300 0.029 0.000 0.888 561 R HN 0.247 nan 8.270 nan 0.000 0.471 562 L N 1.839 123.071 121.223 0.015 0.000 2.282 562 L HA 0.127 4.475 4.340 0.013 0.000 0.287 562 L C 0.553 177.291 176.870 -0.220 0.000 1.075 562 L CA 0.114 54.911 54.840 -0.072 0.000 0.839 562 L CB 1.128 43.213 42.059 0.043 0.000 1.219 562 L HN 0.060 nan 8.230 nan 0.000 0.434 563 Q N 2.856 122.453 119.800 -0.338 0.000 2.211 563 Q HA 0.312 4.660 4.340 0.013 0.000 0.231 563 Q C 0.872 176.465 176.000 -0.678 0.000 0.865 563 Q CA 0.115 55.680 55.803 -0.397 0.000 0.997 563 Q CB 0.925 29.517 28.738 -0.243 0.000 1.101 563 Q HN 0.955 nan 8.270 nan 0.000 0.468 564 G N -0.333 107.671 108.800 -1.327 0.000 2.451 564 G HA2 0.085 4.053 3.960 0.013 0.000 0.208 564 G HA3 0.085 4.053 3.960 0.013 0.000 0.208 564 G C -0.238 173.792 174.900 -1.449 0.000 1.248 564 G CA -0.746 43.176 45.100 -1.963 0.000 0.989 564 G HN 0.603 nan 8.290 nan 0.000 0.559 565 G N -2.282 105.972 108.800 -0.910 0.000 2.342 565 G HA2 0.642 4.610 3.960 0.013 0.000 0.297 565 G HA3 0.642 4.610 3.960 0.013 0.000 0.297 565 G C -1.873 172.972 174.900 -0.090 0.000 1.313 565 G CA -0.238 44.569 45.100 -0.487 0.000 0.830 565 G HN 1.173 nan 8.290 nan 0.000 0.506 566 F N 0.527 120.735 119.950 0.429 0.000 2.460 566 F HA 0.536 5.070 4.527 0.012 0.000 0.341 566 F C 0.730 176.828 175.800 0.497 0.000 1.130 566 F CA -0.761 57.514 58.000 0.458 0.000 0.962 566 F CB 2.143 41.303 39.000 0.267 0.000 1.171 566 F HN 0.270 nan 8.300 nan 0.000 0.436 567 V N 3.258 123.484 119.914 0.521 0.000 2.872 567 V HA -0.123 4.005 4.120 0.013 0.000 0.307 567 V C -0.299 175.960 176.094 0.276 0.000 1.072 567 V CA -0.218 62.176 62.300 0.157 0.000 1.148 567 V CB 0.869 32.795 31.823 0.173 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.364 127.746 121.300 0.137 0.000 2.296 568 W HA 0.455 5.123 4.660 0.012 0.000 0.316 568 W C -0.869 175.671 176.519 0.035 0.000 1.022 568 W CA -0.644 56.819 57.345 0.196 0.000 1.324 568 W CB 1.270 31.017 29.460 0.478 0.000 1.227 568 W HN 0.919 nan 8.180 nan 0.000 0.409 569 D N 2.744 122.846 120.400 -0.496 0.000 2.825 569 D HA 0.081 4.729 4.640 0.013 0.000 0.327 569 D C 0.649 176.725 176.300 -0.373 0.000 1.277 569 D CA -0.549 53.046 54.000 -0.674 0.000 0.950 569 D CB 0.185 40.003 40.800 -1.637 0.000 1.438 569 D HN 0.391 nan 8.370 nan 0.000 0.526 570 W N 0.511 121.509 121.300 -0.503 0.000 2.381 570 W HA 0.103 4.771 4.660 0.013 0.000 0.321 570 W C -0.047 176.253 176.519 -0.364 0.000 1.196 570 W CA 1.332 58.434 57.345 -0.404 0.000 1.304 570 W CB 0.227 29.474 29.460 -0.355 0.000 1.166 570 W HN 0.154 nan 8.180 nan 0.000 0.473 571 V N 2.516 122.177 119.914 -0.422 0.000 2.656 571 V HA 0.234 4.362 4.120 0.013 0.000 0.307 571 V C -0.935 174.962 176.094 -0.328 0.000 1.051 571 V CA -0.755 61.263 62.300 -0.470 0.000 0.893 571 V CB 1.529 33.187 31.823 -0.274 0.000 0.999 571 V HN -0.097 nan 8.190 nan 0.000 0.426 572 D N 3.892 124.099 120.400 -0.321 0.000 2.458 572 D HA 0.127 4.775 4.640 0.013 0.000 0.243 572 D C 0.281 176.423 176.300 -0.263 0.000 1.146 572 D CA 0.662 54.526 54.000 -0.225 0.000 0.877 572 D CB 0.894 41.642 40.800 -0.087 0.000 1.176 572 D HN 0.596 nan 8.370 nan 0.000 0.461 573 Q N 1.228 120.802 119.800 -0.377 0.000 3.122 573 Q HA 0.137 4.485 4.340 0.013 0.000 0.360 573 Q C -0.170 175.763 176.000 -0.112 0.000 1.300 573 Q CA -0.354 54.993 55.803 -0.760 0.000 0.982 573 Q CB 0.098 28.500 28.738 -0.559 0.000 1.534 573 Q HN 0.379 nan 8.270 nan 0.000 0.474 574 S N -0.268 115.475 115.700 0.071 0.000 2.616 574 S HA 0.599 5.076 4.470 0.013 0.000 0.277 574 S C -0.116 174.646 174.600 0.269 0.000 1.234 574 S CA -0.766 57.599 58.200 0.274 0.000 1.028 574 S CB 1.453 64.802 63.200 0.248 0.000 0.988 574 S HN 0.342 nan 8.310 nan 0.000 0.522 575 L N 1.911 123.231 121.223 0.162 0.000 2.342 575 L HA 0.505 4.853 4.340 0.013 0.000 0.271 575 L C -0.511 176.279 176.870 -0.133 0.000 1.008 575 L CA -1.203 53.616 54.840 -0.035 0.000 0.818 575 L CB 1.498 43.419 42.059 -0.231 0.000 1.296 575 L HN 0.566 nan 8.230 nan 0.000 0.427 576 I N 2.752 123.185 120.570 -0.228 0.000 2.441 576 I HA 0.237 4.415 4.170 0.013 0.000 0.287 576 I C 0.243 175.964 176.117 -0.660 0.000 1.049 576 I CA 0.013 61.041 61.300 -0.453 0.000 1.381 576 I CB 0.944 38.692 38.000 -0.419 0.000 1.409 576 I HN 0.562 nan 8.210 nan 0.000 0.523 577 K N 5.422 125.134 120.400 -1.146 0.000 2.306 577 K HA 0.564 4.892 4.320 0.013 0.000 0.236 577 K C -1.492 174.230 176.600 -1.463 0.000 1.013 577 K CA -0.701 54.814 56.287 -1.286 0.000 0.857 577 K CB 2.049 33.517 32.500 -1.719 0.000 1.214 577 K HN 0.233 nan 8.250 nan 0.000 0.449 578 Y N 0.780 120.800 120.300 -0.467 0.000 2.376 578 Y HA 0.136 4.694 4.550 0.013 0.000 0.340 578 Y C -0.258 175.717 175.900 0.125 0.000 0.965 578 Y CA -1.257 56.760 58.100 -0.138 0.000 1.078 578 Y CB 1.276 39.689 38.460 -0.078 0.000 1.193 578 Y HN 0.615 nan 8.280 nan 0.000 0.452 579 D N 0.887 121.538 120.400 0.420 0.000 2.302 579 D HA 0.070 4.718 4.640 0.013 0.000 0.248 579 D C 1.072 177.488 176.300 0.194 0.000 1.094 579 D CA -0.445 53.755 54.000 0.333 0.000 0.897 579 D CB 1.275 42.210 40.800 0.224 0.000 1.200 579 D HN 0.598 nan 8.370 nan 0.000 0.429 580 E N 2.064 122.342 120.200 0.130 0.000 2.348 580 E HA -0.389 3.969 4.350 0.013 0.000 0.234 580 E C 0.926 177.569 176.600 0.071 0.000 1.110 580 E CA 2.375 58.824 56.400 0.080 0.000 0.987 580 E CB -0.417 29.312 29.700 0.048 0.000 0.834 580 E HN 0.617 nan 8.360 nan 0.000 0.468 581 N N -0.664 118.084 118.700 0.079 0.000 2.609 581 N HA -0.029 4.719 4.740 0.013 0.000 0.190 581 N C 1.429 176.986 175.510 0.080 0.000 1.157 581 N CA 1.213 54.303 53.050 0.067 0.000 0.918 581 N CB -0.004 38.518 38.487 0.058 0.000 0.978 581 N HN 0.446 nan 8.380 nan 0.000 0.448 582 G N 0.191 109.062 108.800 0.119 0.000 2.195 582 G HA2 -0.258 3.710 3.960 0.013 0.000 0.246 582 G HA3 -0.258 3.710 3.960 0.013 0.000 0.246 582 G C -0.197 174.854 174.900 0.253 0.000 0.984 582 G CA -0.302 44.873 45.100 0.126 0.000 0.633 582 G HN 0.345 nan 8.290 nan 0.000 0.525 583 N N 2.534 121.368 118.700 0.223 0.000 2.488 583 N HA 0.429 5.176 4.740 0.013 0.000 0.274 583 N C -2.388 173.260 175.510 0.231 0.000 1.111 583 N CA -0.891 52.285 53.050 0.210 0.000 0.974 583 N CB 1.677 40.254 38.487 0.151 0.000 1.089 583 N HN 0.281 nan 8.380 nan 0.000 0.465 584 P HA 0.349 nan 4.420 nan 0.000 0.279 584 P C -0.488 176.782 177.300 -0.050 0.000 1.252 584 P CA -0.446 62.505 63.100 -0.248 0.000 0.811 584 P CB 1.025 32.558 31.700 -0.279 0.000 1.035 585 W N -1.281 119.779 121.300 -0.401 0.000 3.074 585 W HA 0.427 5.095 4.660 0.013 0.000 0.332 585 W C -1.580 174.764 176.519 -0.292 0.000 1.253 585 W CA -1.030 56.103 57.345 -0.353 0.000 1.180 585 W CB 0.424 29.496 29.460 -0.647 0.000 1.445 585 W HN 0.108 nan 8.180 nan 0.000 0.573 586 S N 1.395 117.197 115.700 0.169 0.000 2.465 586 S HA 0.591 5.069 4.470 0.013 0.000 0.279 586 S C 0.118 174.900 174.600 0.303 0.000 1.201 586 S CA -0.299 57.983 58.200 0.137 0.000 1.053 586 S CB 0.915 64.250 63.200 0.226 0.000 0.953 586 S HN 0.599 nan 8.310 nan 0.000 0.488 587 A N 3.057 125.914 122.820 0.061 0.000 2.320 587 A HA 0.850 5.178 4.320 0.013 0.000 0.334 587 A C -0.656 177.181 177.584 0.421 0.000 1.147 587 A CA -0.681 51.431 52.037 0.125 0.000 0.820 587 A CB 0.562 19.339 19.000 -0.372 0.000 1.218 587 A HN 0.836 nan 8.150 nan 0.000 0.482 588 Y N -0.298 120.324 120.300 0.538 0.000 2.914 588 Y HA 0.785 5.343 4.550 0.013 0.000 0.315 588 Y C 0.598 176.857 175.900 0.599 0.000 1.345 588 Y CA -1.523 56.890 58.100 0.522 0.000 1.121 588 Y CB -0.064 38.540 38.460 0.240 0.000 1.363 588 Y HN 0.883 nan 8.280 nan 0.000 0.566 589 G N -0.344 108.870 108.800 0.690 0.000 2.414 589 G HA2 0.389 4.357 3.960 0.013 0.000 0.236 589 G HA3 0.389 4.357 3.960 0.013 0.000 0.236 589 G C 0.911 176.138 174.900 0.546 0.000 1.293 589 G CA 0.303 45.726 45.100 0.537 0.000 0.869 589 G HN 1.981 nan 8.290 nan 0.000 0.556 590 G N 1.824 110.902 108.800 0.464 0.000 2.241 590 G HA2 -0.270 3.698 3.960 0.013 0.000 0.244 590 G HA3 -0.270 3.698 3.960 0.013 0.000 0.244 590 G C 0.878 175.964 174.900 0.309 0.000 0.998 590 G CA 0.641 45.948 45.100 0.346 0.000 0.621 590 G HN 0.636 nan 8.290 nan 0.000 0.519 591 D N -0.245 120.349 120.400 0.323 0.000 2.378 591 D HA 0.191 4.839 4.640 0.013 0.000 0.227 591 D C 1.108 177.256 176.300 -0.252 0.000 1.012 591 D CA 0.471 54.498 54.000 0.044 0.000 0.905 591 D CB -0.164 40.605 40.800 -0.052 0.000 0.895 591 D HN 0.475 nan 8.370 nan 0.000 0.532 592 F N -0.975 119.100 119.950 0.208 0.000 2.735 592 F HA 0.293 4.828 4.527 0.013 0.000 0.308 592 F C 1.657 177.543 175.800 0.144 0.000 1.112 592 F CA -0.265 57.817 58.000 0.136 0.000 1.235 592 F CB 0.933 40.009 39.000 0.126 0.000 1.027 592 F HN -0.060 nan 8.300 nan 0.000 0.528 593 G N 0.636 109.592 108.800 0.260 0.000 2.143 593 G HA2 -0.268 3.700 3.960 0.013 0.000 0.249 593 G HA3 -0.268 3.700 3.960 0.013 0.000 0.249 593 G C -0.343 174.694 174.900 0.227 0.000 0.981 593 G CA 0.156 45.379 45.100 0.205 0.000 0.665 593 G HN 0.371 nan 8.290 nan 0.000 0.528 594 D N 0.393 120.973 120.400 0.301 0.000 2.390 594 D HA 0.540 5.187 4.640 0.013 0.000 0.249 594 D C 0.180 176.599 176.300 0.198 0.000 1.144 594 D CA 0.746 54.909 54.000 0.273 0.000 0.880 594 D CB 1.703 42.717 40.800 0.356 0.000 1.182 594 D HN 0.317 nan 8.370 nan 0.000 0.451 595 T N 0.866 115.508 114.554 0.146 0.000 3.047 595 T HA 0.420 4.777 4.350 0.013 0.000 0.340 595 T C -2.741 171.997 174.700 0.064 0.000 1.421 595 T CA -1.150 61.009 62.100 0.097 0.000 1.090 595 T CB 1.007 69.934 68.868 0.099 0.000 1.292 595 T HN 0.215 nan 8.240 nan 0.000 0.480 596 P HA 0.462 nan 4.420 nan 0.000 0.271 596 P C -0.966 176.325 177.300 -0.014 0.000 1.233 596 P CA -0.258 62.843 63.100 0.002 0.000 0.789 596 P CB 0.275 31.953 31.700 -0.037 0.000 0.951 597 N N -1.736 116.952 118.700 -0.021 0.000 2.732 597 N HA 0.282 5.030 4.740 0.013 0.000 0.259 597 N C -1.222 174.236 175.510 -0.086 0.000 1.402 597 N CA -0.757 52.260 53.050 -0.055 0.000 0.829 597 N CB 0.855 39.396 38.487 0.089 0.000 1.495 597 N HN 0.075 nan 8.380 nan 0.000 0.511 598 D N -0.067 120.227 120.400 -0.176 0.000 2.755 598 D HA 0.152 4.800 4.640 0.013 0.000 0.257 598 D C 0.440 176.914 176.300 0.290 0.000 1.291 598 D CA -0.148 53.823 54.000 -0.048 0.000 0.836 598 D CB 0.146 40.775 40.800 -0.286 0.000 1.059 598 D HN 0.726 nan 8.370 nan 0.000 0.486 599 R N 0.675 121.348 120.500 0.287 0.000 3.587 599 R HA -0.328 4.020 4.340 0.013 0.000 0.556 599 R C 1.142 177.468 176.300 0.044 0.000 0.241 599 R CA 1.548 57.820 56.100 0.288 0.000 1.724 599 R CB -1.528 28.867 30.300 0.158 0.000 0.885 599 R HN 0.135 nan 8.270 nan 0.000 0.613 600 Q N 1.509 121.004 119.800 -0.508 0.000 2.482 600 Q HA -0.020 4.328 4.340 0.013 0.000 0.209 600 Q C 1.698 177.406 176.000 -0.487 0.000 0.961 600 Q CA 1.380 56.689 55.803 -0.824 0.000 0.945 600 Q CB -0.056 27.979 28.738 -1.172 0.000 1.012 600 Q HN 0.621 nan 8.270 nan 0.000 0.515 601 F N 1.568 121.440 119.950 -0.130 0.000 2.449 601 F HA -0.157 4.378 4.527 0.013 0.000 0.299 601 F C 2.321 178.066 175.800 -0.091 0.000 1.092 601 F CA 1.225 59.230 58.000 0.008 0.000 1.446 601 F CB -0.235 38.831 39.000 0.110 0.000 1.084 601 F HN 0.416 nan 8.300 nan 0.000 0.567 602 C N -1.330 117.693 119.300 -0.461 0.000 2.522 602 C HA 0.197 4.665 4.460 0.013 0.000 0.271 602 C C 1.027 175.809 174.990 -0.346 0.000 1.425 602 C CA -0.497 58.055 59.018 -0.777 0.000 1.751 602 C CB -1.622 25.112 27.740 -1.677 0.000 1.775 602 C HN 0.187 nan 8.230 nan 0.000 0.557 603 M N 2.627 122.081 119.600 -0.243 0.000 2.036 603 M HA 0.290 4.778 4.480 0.013 0.000 0.337 603 M C -0.469 175.729 176.300 -0.169 0.000 1.012 603 M CA 0.323 55.517 55.300 -0.176 0.000 0.962 603 M CB 0.215 32.746 32.600 -0.115 0.000 1.423 603 M HN 0.341 nan 8.290 nan 0.000 0.405 604 N N 0.908 119.501 118.700 -0.179 0.000 2.232 604 N HA 0.195 4.943 4.740 0.013 0.000 0.240 604 N C 0.334 175.650 175.510 -0.323 0.000 1.307 604 N CA -0.527 52.385 53.050 -0.230 0.000 0.859 604 N CB 1.193 39.612 38.487 -0.113 0.000 1.260 604 N HN 0.676 nan 8.380 nan 0.000 0.501 605 G N -0.016 108.561 108.800 -0.372 0.000 2.537 605 G HA2 0.328 4.295 3.960 0.013 0.000 0.273 605 G HA3 0.328 4.295 3.960 0.013 0.000 0.273 605 G C 0.706 175.175 174.900 -0.719 0.000 1.189 605 G CA -0.523 44.252 45.100 -0.542 0.000 0.881 605 G HN 0.108 nan 8.290 nan 0.000 0.535 606 L N -0.108 120.682 121.223 -0.722 0.000 2.313 606 L HA 0.111 4.459 4.340 0.013 0.000 0.214 606 L C 0.891 177.142 176.870 -1.032 0.000 1.119 606 L CA 0.414 54.838 54.840 -0.693 0.000 0.809 606 L CB -0.211 41.582 42.059 -0.443 0.000 0.933 606 L HN 0.399 nan 8.230 nan 0.000 0.449 607 V N -5.081 114.108 119.914 -1.208 0.000 2.914 607 V HA 0.454 4.582 4.120 0.013 0.000 0.314 607 V C -0.190 175.400 176.094 -0.841 0.000 1.084 607 V CA -1.292 60.427 62.300 -0.969 0.000 0.963 607 V CB 1.549 32.880 31.823 -0.820 0.000 1.025 607 V HN -0.144 nan 8.190 nan 0.000 0.432 608 F N 1.478 121.279 119.950 -0.249 0.000 2.485 608 F HA 0.504 5.039 4.527 0.014 0.000 0.327 608 F C 2.000 177.725 175.800 -0.125 0.000 1.203 608 F CA 0.717 58.709 58.000 -0.013 0.000 1.295 608 F CB 0.811 39.830 39.000 0.032 0.000 1.191 608 F HN 0.790 nan 8.300 nan 0.000 0.588 609 A N 0.817 123.722 122.820 0.142 0.000 1.997 609 A HA -0.256 4.072 4.320 0.013 0.000 0.221 609 A C 1.589 179.158 177.584 -0.025 0.000 1.172 609 A CA 2.053 54.128 52.037 0.062 0.000 0.645 609 A CB -0.998 18.073 19.000 0.118 0.000 0.813 609 A HN 0.797 nan 8.150 nan 0.000 0.454 610 D N -3.207 117.198 120.400 0.009 0.000 2.319 610 D HA 0.187 4.835 4.640 0.013 0.000 0.230 610 D C 0.655 176.946 176.300 -0.016 0.000 1.094 610 D CA -0.019 53.953 54.000 -0.046 0.000 0.856 610 D CB -0.045 40.730 40.800 -0.041 0.000 0.915 610 D HN 0.242 nan 8.370 nan 0.000 0.517 611 R N -1.973 118.518 120.500 -0.014 0.000 3.728 611 R HA -0.119 4.229 4.340 0.013 0.000 0.478 611 R C -0.280 176.024 176.300 0.008 0.000 0.932 611 R CA 1.094 57.176 56.100 -0.030 0.000 1.317 611 R CB -3.178 27.138 30.300 0.027 0.000 1.987 611 R HN 0.238 nan 8.270 nan 0.000 0.509 612 T N 2.510 117.117 114.554 0.088 0.000 2.901 612 T HA 0.364 4.722 4.350 0.013 0.000 0.301 612 T C -2.343 172.490 174.700 0.223 0.000 1.012 612 T CA -0.858 61.328 62.100 0.143 0.000 1.135 612 T CB 1.069 70.022 68.868 0.142 0.000 0.936 612 T HN -0.110 nan 8.240 nan 0.000 0.539 613 P HA 0.208 nan 4.420 nan 0.000 0.275 613 P C -0.124 177.289 177.300 0.189 0.000 1.228 613 P CA -0.272 62.855 63.100 0.045 0.000 0.786 613 P CB 0.461 32.181 31.700 0.033 0.000 0.927 614 H N 2.525 121.465 119.070 -0.215 0.000 2.509 614 H HA 0.115 4.679 4.556 0.013 0.000 0.359 614 H C -1.316 173.942 175.328 -0.117 0.000 1.253 614 H CA -1.874 54.024 56.048 -0.250 0.000 1.373 614 H CB 0.281 29.845 29.762 -0.332 0.000 1.555 614 H HN 0.326 nan 8.280 nan 0.000 0.586 615 P HA -0.174 nan 4.420 nan 0.000 0.216 615 P C 1.154 178.470 177.300 0.027 0.000 1.150 615 P CA 1.668 64.779 63.100 0.018 0.000 0.837 615 P CB -0.009 31.704 31.700 0.022 0.000 0.786 616 A N -0.737 122.104 122.820 0.034 0.000 2.076 616 A HA -0.187 4.141 4.320 0.013 0.000 0.220 616 A C 2.046 179.590 177.584 -0.065 0.000 1.160 616 A CA 1.180 53.197 52.037 -0.034 0.000 0.653 616 A CB -1.587 17.367 19.000 -0.077 0.000 0.801 616 A HN 0.159 nan 8.150 nan 0.000 0.455 617 L N -0.626 120.577 121.223 -0.033 0.000 2.131 617 L HA -0.109 4.239 4.340 0.013 0.000 0.210 617 L C 2.494 179.414 176.870 0.083 0.000 1.092 617 L CA 2.626 57.478 54.840 0.020 0.000 0.759 617 L CB -0.934 41.140 42.059 0.025 0.000 0.903 617 L HN 0.387 nan 8.230 nan 0.000 0.435 618 T N -1.679 112.931 114.554 0.094 0.000 2.867 618 T HA -0.190 4.168 4.350 0.013 0.000 0.268 618 T C 1.809 176.631 174.700 0.203 0.000 1.057 618 T CA 1.434 63.648 62.100 0.191 0.000 1.136 618 T CB -0.082 68.875 68.868 0.149 0.000 0.874 618 T HN 0.469 nan 8.240 nan 0.000 0.466 619 E N 0.647 120.901 120.200 0.091 0.000 2.106 619 E HA 0.074 4.432 4.350 0.013 0.000 0.192 619 E C 2.147 178.752 176.600 0.009 0.000 0.984 619 E CA 1.308 57.760 56.400 0.085 0.000 0.806 619 E CB -0.546 29.173 29.700 0.032 0.000 0.750 619 E HN 0.542 nan 8.360 nan 0.000 0.458 620 A N 0.948 123.671 122.820 -0.163 0.000 1.873 620 A HA -0.181 4.147 4.320 0.013 0.000 0.215 620 A C 2.146 179.614 177.584 -0.192 0.000 1.186 620 A CA 1.774 53.659 52.037 -0.254 0.000 0.616 620 A CB -0.595 18.242 19.000 -0.272 0.000 0.823 620 A HN 0.255 nan 8.150 nan 0.000 0.442 621 K N -1.086 119.273 120.400 -0.069 0.000 2.063 621 K HA -0.298 4.030 4.320 0.013 0.000 0.208 621 K C 2.020 178.506 176.600 -0.190 0.000 1.048 621 K CA 2.072 58.325 56.287 -0.056 0.000 0.928 621 K CB -0.357 32.270 32.500 0.210 0.000 0.713 621 K HN 0.642 nan 8.250 nan 0.000 0.442 622 H N 0.311 119.197 119.070 -0.306 0.000 2.326 622 H HA -0.023 4.541 4.556 0.014 0.000 0.301 622 H C 1.951 177.003 175.328 -0.460 0.000 1.081 622 H CA 1.839 57.516 56.048 -0.619 0.000 1.334 622 H CB 0.084 29.510 29.762 -0.560 0.000 1.385 622 H HN 0.234 nan 8.280 nan 0.000 0.504 623 Q N 0.219 119.761 119.800 -0.429 0.000 2.224 623 Q HA -0.084 4.264 4.340 0.013 0.000 0.203 623 Q C 1.608 177.079 176.000 -0.882 0.000 0.970 623 Q CA 1.083 56.566 55.803 -0.533 0.000 0.865 623 Q CB 0.057 28.650 28.738 -0.243 0.000 0.922 623 Q HN 0.707 nan 8.270 nan 0.000 0.445 624 Q N 0.272 119.509 119.800 -0.939 0.000 2.322 624 Q HA 0.048 4.396 4.340 0.013 0.000 0.203 624 Q C -0.054 175.391 176.000 -0.925 0.000 0.923 624 Q CA -0.164 54.935 55.803 -1.173 0.000 0.949 624 Q CB 0.271 28.373 28.738 -1.059 0.000 1.039 624 Q HN 0.396 nan 8.270 nan 0.000 0.496 625 Q N -0.550 118.850 119.800 -0.667 0.000 2.479 625 Q HA -0.035 4.312 4.340 0.013 0.000 0.267 625 Q C -0.093 175.523 176.000 -0.640 0.000 1.071 625 Q CA 0.410 55.944 55.803 -0.449 0.000 0.935 625 Q CB 0.418 28.980 28.738 -0.294 0.000 1.295 625 Q HN 0.288 nan 8.270 nan 0.000 0.476 626 F N -0.248 119.456 119.950 -0.411 0.000 2.695 626 F HA 0.246 4.781 4.527 0.013 0.000 0.303 626 F C -0.198 175.013 175.800 -0.983 0.000 1.091 626 F CA -0.057 57.458 58.000 -0.809 0.000 1.300 626 F CB 0.611 38.815 39.000 -1.326 0.000 1.071 626 F HN 0.296 nan 8.300 nan 0.000 0.578 627 F N 0.410 120.255 119.950 -0.175 0.000 2.540 627 F HA 0.500 5.035 4.527 0.014 0.000 0.317 627 F C -0.127 175.298 175.800 -0.625 0.000 1.104 627 F CA -1.105 56.679 58.000 -0.360 0.000 0.913 627 F CB 1.306 40.083 39.000 -0.372 0.000 1.170 627 F HN -0.327 nan 8.300 nan 0.000 0.450 628 Q N 3.057 122.601 119.800 -0.427 0.000 2.306 628 Q HA 0.583 4.931 4.340 0.013 0.000 0.265 628 Q C -1.364 174.396 176.000 -0.400 0.000 1.022 628 Q CA -0.614 54.981 55.803 -0.345 0.000 0.853 628 Q CB 2.843 31.506 28.738 -0.125 0.000 1.327 628 Q HN 0.568 nan 8.270 nan 0.000 0.449 629 F N 0.726 120.798 119.950 0.204 0.000 2.565 629 F HA 0.585 5.120 4.527 0.014 0.000 0.313 629 F C 0.233 176.255 175.800 0.371 0.000 1.091 629 F CA -1.075 57.111 58.000 0.310 0.000 0.915 629 F CB 1.682 40.980 39.000 0.496 0.000 1.208 629 F HN 0.086 nan 8.300 nan 0.000 0.453 630 R N 1.865 122.650 120.500 0.475 0.000 2.686 630 R HA 0.650 4.998 4.340 0.013 0.000 0.286 630 R C -1.762 174.581 176.300 0.071 0.000 0.969 630 R CA -1.177 55.118 56.100 0.326 0.000 0.898 630 R CB 2.164 32.570 30.300 0.176 0.000 1.183 630 R HN 0.629 nan 8.270 nan 0.000 0.456 631 L N 0.342 121.471 121.223 -0.157 0.000 2.322 631 L HA 0.620 4.968 4.340 0.013 0.000 0.281 631 L C -0.680 176.035 176.870 -0.258 0.000 1.014 631 L CA 0.182 54.714 54.840 -0.514 0.000 0.815 631 L CB 2.014 43.358 42.059 -1.192 0.000 1.247 631 L HN 0.544 nan 8.230 nan 0.000 0.421 632 S N 3.559 119.130 115.700 -0.215 0.000 2.461 632 S HA 0.663 5.141 4.470 0.013 0.000 0.216 632 S C 0.169 174.685 174.600 -0.140 0.000 1.201 632 S CA 0.188 58.307 58.200 -0.136 0.000 1.171 632 S CB 0.127 63.281 63.200 -0.076 0.000 1.169 632 S HN 1.435 nan 8.310 nan 0.000 0.456 633 G N 4.120 112.832 108.800 -0.146 0.000 2.588 633 G HA2 -0.305 3.663 3.960 0.013 0.000 0.273 633 G HA3 -0.305 3.663 3.960 0.013 0.000 0.273 633 G C 0.360 175.156 174.900 -0.174 0.000 1.211 633 G CA 0.553 45.573 45.100 -0.133 0.000 0.958 633 G HN 0.871 nan 8.290 nan 0.000 0.543 634 Q N -0.113 119.587 119.800 -0.166 0.000 2.198 634 Q HA 0.455 4.803 4.340 0.013 0.000 0.209 634 Q C 0.117 175.980 176.000 -0.229 0.000 0.848 634 Q CA 0.699 56.377 55.803 -0.208 0.000 0.974 634 Q CB 0.474 29.102 28.738 -0.182 0.000 1.115 634 Q HN 0.461 nan 8.270 nan 0.000 0.494 635 T N 1.685 116.122 114.554 -0.196 0.000 2.767 635 T HA 0.517 4.875 4.350 0.013 0.000 0.288 635 T C -0.274 174.309 174.700 -0.196 0.000 0.963 635 T CA -0.419 61.580 62.100 -0.169 0.000 1.019 635 T CB 1.101 69.901 68.868 -0.113 0.000 0.923 635 T HN 0.182 nan 8.240 nan 0.000 0.468 636 I N 2.715 123.181 120.570 -0.173 0.000 2.359 636 I HA 0.309 4.487 4.170 0.013 0.000 0.294 636 I C 0.504 176.619 176.117 -0.003 0.000 0.987 636 I CA -0.621 60.597 61.300 -0.137 0.000 1.225 636 I CB 1.428 39.354 38.000 -0.123 0.000 1.366 636 I HN 0.582 nan 8.210 nan 0.000 0.466 637 E N 6.603 126.838 120.200 0.058 0.000 2.133 637 E HA 0.424 4.781 4.350 0.013 0.000 0.274 637 E C -1.582 175.126 176.600 0.179 0.000 0.930 637 E CA -0.575 55.881 56.400 0.093 0.000 0.770 637 E CB 1.652 31.389 29.700 0.062 0.000 1.104 637 E HN 0.334 nan 8.360 nan 0.000 0.403 638 V N 4.229 124.231 119.914 0.146 0.000 2.398 638 V HA 0.307 4.435 4.120 0.013 0.000 0.286 638 V C -0.044 176.082 176.094 0.054 0.000 1.026 638 V CA -0.540 61.823 62.300 0.106 0.000 0.868 638 V CB 1.743 33.639 31.823 0.123 0.000 0.982 638 V HN 0.700 nan 8.190 nan 0.000 0.443 639 T N 3.352 117.904 114.554 -0.003 0.000 2.797 639 T HA 0.334 4.692 4.350 0.013 0.000 0.279 639 T C -0.002 174.712 174.700 0.023 0.000 0.991 639 T CA -0.231 61.877 62.100 0.013 0.000 0.979 639 T CB 1.533 70.389 68.868 -0.019 0.000 0.943 639 T HN 0.686 nan 8.240 nan 0.000 0.444 640 S N 1.848 117.577 115.700 0.047 0.000 2.537 640 S HA 0.201 4.678 4.470 0.013 0.000 0.275 640 S C 0.847 175.340 174.600 -0.178 0.000 1.272 640 S CA -0.504 57.669 58.200 -0.045 0.000 1.050 640 S CB 0.590 63.835 63.200 0.074 0.000 0.961 640 S HN 0.729 nan 8.310 nan 0.000 0.496 641 E N 2.809 122.795 120.200 -0.358 0.000 2.474 641 E HA 0.088 4.446 4.350 0.013 0.000 0.195 641 E C -0.646 175.779 176.600 -0.291 0.000 1.039 641 E CA -0.117 56.100 56.400 -0.306 0.000 0.881 641 E CB 0.256 29.743 29.700 -0.354 0.000 0.970 641 E HN 0.708 nan 8.360 nan 0.000 0.486 642 Y N 0.379 120.572 120.300 -0.178 0.000 2.550 642 Y HA -0.059 4.499 4.550 0.013 0.000 0.343 642 Y C 1.453 177.201 175.900 -0.253 0.000 1.245 642 Y CA 0.238 58.237 58.100 -0.169 0.000 1.462 642 Y CB 0.672 39.017 38.460 -0.191 0.000 1.340 642 Y HN -0.037 nan 8.280 nan 0.000 0.604 643 L N 0.851 121.916 121.223 -0.263 0.000 2.470 643 L HA 0.071 4.418 4.340 0.013 0.000 0.219 643 L C 0.653 177.024 176.870 -0.832 0.000 1.071 643 L CA 0.487 54.908 54.840 -0.697 0.000 0.850 643 L CB 0.058 41.334 42.059 -1.304 0.000 1.040 643 L HN 0.630 nan 8.230 nan 0.000 0.475 644 F N -0.565 119.412 119.950 0.044 0.000 2.640 644 F HA 0.212 4.746 4.527 0.012 0.000 0.285 644 F C 1.236 177.028 175.800 -0.012 0.000 1.031 644 F CA -0.773 57.225 58.000 -0.004 0.000 1.240 644 F CB 0.244 39.219 39.000 -0.041 0.000 1.011 644 F HN -0.163 nan 8.300 nan 0.000 0.656 645 R N 0.411 120.968 120.500 0.095 0.000 2.536 645 R HA 0.430 4.778 4.340 0.013 0.000 0.279 645 R C -0.897 175.399 176.300 -0.007 0.000 1.001 645 R CA -0.646 55.453 56.100 -0.001 0.000 1.027 645 R CB 0.858 31.055 30.300 -0.172 0.000 1.096 645 R HN 0.117 nan 8.270 nan 0.000 0.502 646 H N 0.651 119.706 119.070 -0.024 0.000 2.547 646 H HA 0.093 4.657 4.556 0.013 0.000 0.362 646 H C -0.049 175.289 175.328 0.016 0.000 1.181 646 H CA 0.130 56.190 56.048 0.020 0.000 1.376 646 H CB 1.117 30.895 29.762 0.027 0.000 1.488 646 H HN 0.768 nan 8.280 nan 0.000 0.583 647 S N 2.136 117.758 115.700 -0.132 0.000 4.175 647 S HA -0.025 4.453 4.470 0.013 0.000 0.193 647 S C 0.029 174.786 174.600 0.262 0.000 1.373 647 S CA -0.249 58.037 58.200 0.142 0.000 0.908 647 S CB -0.697 62.596 63.200 0.155 0.000 1.547 647 S HN 0.720 nan 8.310 nan 0.000 0.440 648 D N 0.634 121.168 120.400 0.224 0.000 2.319 648 D HA 0.044 4.691 4.640 0.013 0.000 0.230 648 D C 0.296 176.649 176.300 0.089 0.000 1.094 648 D CA -0.209 53.885 54.000 0.157 0.000 0.856 648 D CB -0.335 40.526 40.800 0.101 0.000 0.915 648 D HN 0.504 nan 8.370 nan 0.000 0.517 649 N N 0.061 118.818 118.700 0.095 0.000 2.639 649 N HA 0.160 4.907 4.740 0.013 0.000 0.265 649 N C -1.627 173.946 175.510 0.105 0.000 1.689 649 N CA -0.214 52.883 53.050 0.078 0.000 0.813 649 N CB 0.326 38.847 38.487 0.057 0.000 1.353 649 N HN -0.063 nan 8.380 nan 0.000 0.510 650 E N -0.103 120.149 120.200 0.088 0.000 2.352 650 E HA 0.524 4.882 4.350 0.013 0.000 0.280 650 E C -1.567 175.046 176.600 0.021 0.000 0.930 650 E CA -0.765 55.674 56.400 0.066 0.000 0.765 650 E CB 1.994 31.703 29.700 0.015 0.000 1.219 650 E HN 0.265 nan 8.360 nan 0.000 0.434 651 L N 0.064 121.297 121.223 0.017 0.000 2.393 651 L HA 0.760 5.108 4.340 0.013 0.000 0.260 651 L C -1.747 175.107 176.870 -0.027 0.000 1.002 651 L CA -1.012 53.808 54.840 -0.034 0.000 0.818 651 L CB 1.162 43.174 42.059 -0.079 0.000 1.369 651 L HN 0.503 nan 8.230 nan 0.000 0.412 652 L N 2.224 123.426 121.223 -0.034 0.000 2.287 652 L HA 0.598 4.945 4.340 0.013 0.000 0.287 652 L C -0.865 176.009 176.870 0.007 0.000 1.022 652 L CA 0.257 55.134 54.840 0.062 0.000 0.814 652 L CB 0.698 42.839 42.059 0.137 0.000 1.217 652 L HN 0.736 nan 8.230 nan 0.000 0.420 653 H N 4.896 124.051 119.070 0.140 0.000 2.458 653 H HA 0.571 5.135 4.556 0.013 0.000 0.330 653 H C -1.029 174.406 175.328 0.178 0.000 1.111 653 H CA -0.074 56.022 56.048 0.080 0.000 1.245 653 H CB 0.977 30.744 29.762 0.009 0.000 1.456 653 H HN 0.644 nan 8.280 nan 0.000 0.488 654 W N 4.294 125.687 121.300 0.156 0.000 2.936 654 W HA 0.607 5.275 4.660 0.013 0.000 0.338 654 W C -1.788 174.794 176.519 0.105 0.000 1.121 654 W CA -1.393 56.022 57.345 0.117 0.000 1.209 654 W CB 1.069 30.575 29.460 0.076 0.000 1.420 654 W HN 0.600 nan 8.180 nan 0.000 0.516 655 M N 2.346 122.165 119.600 0.365 0.000 2.421 655 M HA 0.680 5.168 4.480 0.013 0.000 0.287 655 M C -2.156 174.355 176.300 0.352 0.000 1.183 655 M CA -1.007 54.393 55.300 0.168 0.000 0.916 655 M CB 2.130 34.738 32.600 0.013 0.000 1.701 655 M HN 0.068 nan 8.290 nan 0.000 0.470 656 V N 1.993 122.097 119.914 0.316 0.000 2.495 656 V HA 0.965 5.093 4.120 0.013 0.000 0.298 656 V C -0.337 175.867 176.094 0.183 0.000 1.031 656 V CA -0.388 62.087 62.300 0.291 0.000 0.871 656 V CB 1.541 33.556 31.823 0.319 0.000 0.988 656 V HN 1.032 nan 8.190 nan 0.000 0.432 657 A N 4.457 127.394 122.820 0.196 0.000 2.475 657 A HA 0.892 5.220 4.320 0.013 0.000 0.301 657 A C -1.414 176.283 177.584 0.188 0.000 1.059 657 A CA -0.615 51.506 52.037 0.140 0.000 0.710 657 A CB 1.729 20.776 19.000 0.079 0.000 1.288 657 A HN 0.894 nan 8.150 nan 0.000 0.408 658 L N 1.470 122.773 121.223 0.133 0.000 2.280 658 L HA 0.536 4.883 4.340 0.013 0.000 0.287 658 L C -0.579 176.383 176.870 0.153 0.000 1.023 658 L CA 0.167 55.100 54.840 0.155 0.000 0.819 658 L CB 0.525 42.645 42.059 0.101 0.000 1.212 658 L HN 0.765 nan 8.230 nan 0.000 0.420 659 D N 4.661 125.212 120.400 0.252 0.000 2.692 659 D HA -0.220 4.427 4.640 0.013 0.000 0.233 659 D C 1.132 177.464 176.300 0.054 0.000 1.172 659 D CA 1.475 55.610 54.000 0.224 0.000 0.636 659 D CB -1.121 39.782 40.800 0.171 0.000 1.028 659 D HN 1.194 nan 8.370 nan 0.000 0.419 660 G N -0.875 107.915 108.800 -0.017 0.000 2.241 660 G HA2 -0.369 3.598 3.960 0.013 0.000 0.244 660 G HA3 -0.369 3.598 3.960 0.013 0.000 0.244 660 G C 0.280 175.098 174.900 -0.137 0.000 0.998 660 G CA 0.444 45.427 45.100 -0.195 0.000 0.621 660 G HN 0.482 nan 8.290 nan 0.000 0.519 661 K N 2.098 122.469 120.400 -0.049 0.000 2.262 661 K HA 0.470 4.798 4.320 0.013 0.000 0.282 661 K C -2.568 174.023 176.600 -0.015 0.000 1.066 661 K CA -1.826 54.438 56.287 -0.038 0.000 0.901 661 K CB 1.403 33.896 32.500 -0.011 0.000 1.089 661 K HN 0.055 nan 8.250 nan 0.000 0.476 662 P HA -0.026 nan 4.420 nan 0.000 0.262 662 P C -0.113 177.186 177.300 -0.000 0.000 1.199 662 P CA 0.327 63.412 63.100 -0.025 0.000 0.763 662 P CB 0.571 32.236 31.700 -0.058 0.000 0.790 663 L N 1.660 122.901 121.223 0.030 0.000 2.685 663 L HA 0.492 4.839 4.340 0.013 0.000 0.235 663 L C 0.871 177.773 176.870 0.053 0.000 1.070 663 L CA 0.270 55.137 54.840 0.046 0.000 0.888 663 L CB 0.282 42.387 42.059 0.077 0.000 1.203 663 L HN 0.382 nan 8.230 nan 0.000 0.499 664 A N -0.209 122.644 122.820 0.054 0.000 2.586 664 A HA 0.653 4.981 4.320 0.013 0.000 0.291 664 A C -1.104 176.383 177.584 -0.162 0.000 1.062 664 A CA 0.089 52.151 52.037 0.043 0.000 0.666 664 A CB 1.564 20.703 19.000 0.232 0.000 1.281 664 A HN 0.037 nan 8.150 nan 0.000 0.421 665 S N -0.487 114.885 115.700 -0.547 0.000 2.578 665 S HA 0.790 5.268 4.470 0.013 0.000 0.285 665 S C -0.397 173.352 174.600 -1.418 0.000 1.126 665 S CA 0.240 57.749 58.200 -1.152 0.000 0.878 665 S CB 0.756 63.643 63.200 -0.521 0.000 1.091 665 S HN 2.566 nan 8.310 nan 0.000 0.450 666 G N 0.818 108.242 108.800 -2.294 0.000 2.788 666 G HA2 0.775 4.743 3.960 0.013 0.000 0.293 666 G HA3 0.775 4.743 3.960 0.013 0.000 0.293 666 G C -1.624 172.916 174.900 -0.601 0.000 1.392 666 G CA -0.551 43.898 45.100 -1.085 0.000 0.810 666 G HN 1.149 nan 8.290 nan 0.000 0.508 667 E N -1.525 118.600 120.200 -0.124 0.000 2.314 667 E HA 0.673 5.031 4.350 0.013 0.000 0.272 667 E C -1.743 174.877 176.600 0.034 0.000 0.884 667 E CA -0.865 55.467 56.400 -0.113 0.000 0.753 667 E CB 2.648 32.143 29.700 -0.342 0.000 1.213 667 E HN 0.398 nan 8.360 nan 0.000 0.432 668 V N 3.129 123.057 119.914 0.023 0.000 2.777 668 V HA 0.429 4.557 4.120 0.013 0.000 0.306 668 V C -2.498 173.599 176.094 0.004 0.000 1.112 668 V CA -1.839 60.491 62.300 0.050 0.000 0.917 668 V CB 1.980 33.867 31.823 0.107 0.000 1.018 668 V HN 0.737 nan 8.190 nan 0.000 0.426 669 P HA 0.373 nan 4.420 nan 0.000 0.275 669 P C -0.804 176.509 177.300 0.022 0.000 1.228 669 P CA -0.197 62.907 63.100 0.007 0.000 0.786 669 P CB 0.720 32.433 31.700 0.022 0.000 0.927 670 L N 2.626 123.856 121.223 0.012 0.000 2.289 670 L HA 0.352 4.700 4.340 0.013 0.000 0.285 670 L C 0.445 177.360 176.870 0.074 0.000 1.049 670 L CA 0.054 54.897 54.840 0.005 0.000 0.804 670 L CB 0.763 42.759 42.059 -0.106 0.000 1.195 670 L HN 0.305 nan 8.230 nan 0.000 0.428 671 D N 3.236 123.698 120.400 0.102 0.000 2.513 671 D HA 0.272 4.920 4.640 0.013 0.000 0.295 671 D C -1.368 175.015 176.300 0.138 0.000 1.202 671 D CA -0.056 54.093 54.000 0.248 0.000 0.849 671 D CB 1.208 42.130 40.800 0.202 0.000 1.116 671 D HN 0.107 nan 8.370 nan 0.000 0.502 672 V N 1.572 121.386 119.914 -0.168 0.000 2.540 672 V HA 0.868 4.996 4.120 0.013 0.000 0.302 672 V C -0.185 175.569 176.094 -0.567 0.000 1.035 672 V CA -0.528 61.648 62.300 -0.206 0.000 0.873 672 V CB 1.451 33.277 31.823 0.005 0.000 0.992 672 V HN 0.479 nan 8.190 nan 0.000 0.428 673 A N 8.593 131.264 122.820 -0.249 0.000 2.332 673 A HA 0.730 5.058 4.320 0.013 0.000 0.258 673 A C -2.448 175.100 177.584 -0.060 0.000 1.087 673 A CA -1.409 50.558 52.037 -0.117 0.000 0.802 673 A CB -0.024 19.025 19.000 0.081 0.000 1.042 673 A HN 0.759 nan 8.150 nan 0.000 0.489 674 P HA 0.027 nan 4.420 nan 0.000 0.264 674 P C -0.505 176.776 177.300 -0.032 0.000 1.193 674 P CA 0.566 63.659 63.100 -0.012 0.000 0.763 674 P CB 0.680 32.359 31.700 -0.034 0.000 0.810 675 Q N -1.035 118.738 119.800 -0.045 0.000 2.362 675 Q HA -0.162 4.186 4.340 0.013 0.000 0.220 675 Q C 0.765 176.752 176.000 -0.022 0.000 0.713 675 Q CA 1.805 57.578 55.803 -0.050 0.000 1.345 675 Q CB -2.504 26.198 28.738 -0.059 0.000 1.570 675 Q HN 0.772 nan 8.270 nan 0.000 0.701 676 G N 0.157 108.954 108.800 -0.005 0.000 2.537 676 G HA2 0.565 4.533 3.960 0.013 0.000 0.297 676 G HA3 0.565 4.533 3.960 0.013 0.000 0.297 676 G C -0.324 174.589 174.900 0.022 0.000 1.310 676 G CA -0.507 44.599 45.100 0.010 0.000 1.027 676 G HN -0.006 nan 8.290 nan 0.000 0.505 677 K N -0.727 119.690 120.400 0.029 0.000 2.435 677 K HA 0.483 4.811 4.320 0.013 0.000 0.251 677 K C -0.938 175.688 176.600 0.043 0.000 0.954 677 K CA -0.581 55.728 56.287 0.037 0.000 0.820 677 K CB 2.566 35.084 32.500 0.029 0.000 1.292 677 K HN 0.517 nan 8.250 nan 0.000 0.436 678 Q N 2.914 122.744 119.800 0.050 0.000 2.289 678 Q HA 0.387 4.735 4.340 0.013 0.000 0.270 678 Q C -1.663 174.365 176.000 0.046 0.000 1.038 678 Q CA -0.658 55.174 55.803 0.048 0.000 0.812 678 Q CB 1.396 30.166 28.738 0.054 0.000 1.300 678 Q HN 0.526 nan 8.270 nan 0.000 0.427 679 L N 5.242 126.483 121.223 0.029 0.000 2.272 679 L HA 0.522 4.870 4.340 0.013 0.000 0.289 679 L C -0.739 176.132 176.870 0.001 0.000 1.032 679 L CA -0.725 54.122 54.840 0.012 0.000 0.810 679 L CB 1.065 43.124 42.059 -0.001 0.000 1.205 679 L HN 0.589 nan 8.230 nan 0.000 0.422 680 I N 3.157 123.718 120.570 -0.016 0.000 2.389 680 I HA 0.218 4.396 4.170 0.013 0.000 0.288 680 I C -0.178 175.877 176.117 -0.103 0.000 0.999 680 I CA -0.496 60.779 61.300 -0.042 0.000 1.129 680 I CB 1.602 39.581 38.000 -0.034 0.000 1.288 680 I HN 0.424 nan 8.210 nan 0.000 0.444 681 E N 7.079 127.219 120.200 -0.100 0.000 2.089 681 E HA 0.299 4.657 4.350 0.013 0.000 0.284 681 E C -0.399 176.083 176.600 -0.195 0.000 1.023 681 E CA -0.445 55.875 56.400 -0.132 0.000 0.819 681 E CB 1.333 30.980 29.700 -0.088 0.000 1.076 681 E HN 0.516 nan 8.360 nan 0.000 0.396 682 L N 5.973 127.017 121.223 -0.298 0.000 2.477 682 L HA 0.093 4.441 4.340 0.013 0.000 0.272 682 L C -1.554 175.149 176.870 -0.278 0.000 1.157 682 L CA -1.334 53.230 54.840 -0.460 0.000 0.889 682 L CB 0.179 41.893 42.059 -0.575 0.000 1.158 682 L HN 0.159 nan 8.230 nan 0.000 0.473 683 P HA -0.110 nan 4.420 nan 0.000 0.272 683 P C -0.407 176.847 177.300 -0.076 0.000 1.239 683 P CA -0.160 62.901 63.100 -0.065 0.000 0.807 683 P CB 0.466 32.190 31.700 0.041 0.000 0.951 684 E N 0.457 120.639 120.200 -0.030 0.000 2.360 684 E HA 0.115 4.473 4.350 0.013 0.000 0.269 684 E C -0.919 175.682 176.600 0.002 0.000 1.022 684 E CA -0.374 56.010 56.400 -0.027 0.000 0.887 684 E CB 0.275 29.967 29.700 -0.014 0.000 0.990 684 E HN 0.245 nan 8.360 nan 0.000 0.426 685 L N 5.649 126.869 121.223 -0.006 0.000 2.399 685 L HA 0.397 4.745 4.340 0.013 0.000 0.265 685 L C -1.952 174.937 176.870 0.032 0.000 1.089 685 L CA -1.733 53.124 54.840 0.029 0.000 0.802 685 L CB 1.339 43.419 42.059 0.034 0.000 1.180 685 L HN 0.596 nan 8.230 nan 0.000 0.454 686 P HA 0.259 nan 4.420 nan 0.000 0.281 686 P C -1.423 175.897 177.300 0.033 0.000 1.249 686 P CA -0.722 62.401 63.100 0.038 0.000 0.810 686 P CB 1.109 32.836 31.700 0.045 0.000 1.008 687 Q N 1.770 121.585 119.800 0.024 0.000 2.221 687 Q HA 0.558 4.906 4.340 0.013 0.000 0.242 687 Q C -2.068 173.947 176.000 0.024 0.000 0.940 687 Q CA -1.309 54.506 55.803 0.021 0.000 0.896 687 Q CB 0.294 29.039 28.738 0.012 0.000 1.226 687 Q HN 0.336 nan 8.270 nan 0.000 0.463 688 P HA 0.310 nan 4.420 nan 0.000 0.222 688 P C -0.970 176.344 177.300 0.023 0.000 1.721 688 P CA -0.408 62.708 63.100 0.028 0.000 1.294 688 P CB 1.239 32.961 31.700 0.037 0.000 1.450 689 E N -0.211 120.001 120.200 0.020 0.000 2.502 689 E HA 0.000 4.358 4.350 0.013 0.000 0.194 689 E C 0.546 177.159 176.600 0.021 0.000 1.062 689 E CA 0.179 56.590 56.400 0.017 0.000 0.867 689 E CB 0.342 30.050 29.700 0.013 0.000 0.888 689 E HN 0.273 nan 8.360 nan 0.000 0.510 690 S N 1.205 116.920 115.700 0.025 0.000 2.533 690 S HA 0.310 4.788 4.470 0.013 0.000 0.282 690 S C 0.290 174.910 174.600 0.033 0.000 1.304 690 S CA -0.393 57.824 58.200 0.029 0.000 1.063 690 S CB 0.632 63.850 63.200 0.030 0.000 0.881 690 S HN 0.251 nan 8.310 nan 0.000 0.493 691 A N 3.954 126.795 122.820 0.035 0.000 2.448 691 A HA 0.652 4.980 4.320 0.013 0.000 0.239 691 A C 1.022 178.637 177.584 0.050 0.000 1.080 691 A CA 0.362 52.422 52.037 0.038 0.000 0.779 691 A CB -0.738 18.286 19.000 0.039 0.000 1.026 691 A HN 2.117 nan 8.150 nan 0.000 0.499 692 G N -0.823 108.007 108.800 0.051 0.000 2.347 692 G HA2 0.426 4.394 3.960 0.013 0.000 0.477 692 G HA3 0.426 4.394 3.960 0.013 0.000 0.477 692 G C -0.997 173.937 174.900 0.058 0.000 1.349 692 G CA -0.124 45.020 45.100 0.072 0.000 1.000 692 G HN 1.209 nan 8.290 nan 0.000 0.605 693 Q N -0.265 119.586 119.800 0.086 0.000 2.278 693 Q HA 0.726 5.073 4.340 0.013 0.000 0.257 693 Q C -0.079 175.968 176.000 0.078 0.000 0.928 693 Q CA -0.526 55.287 55.803 0.017 0.000 0.932 693 Q CB 1.177 29.904 28.738 -0.020 0.000 1.221 693 Q HN 0.590 nan 8.270 nan 0.000 0.434 694 L N 4.034 125.246 121.223 -0.018 0.000 2.395 694 L HA 0.468 4.816 4.340 0.013 0.000 0.269 694 L C -0.793 176.084 176.870 0.013 0.000 1.133 694 L CA -0.329 54.551 54.840 0.067 0.000 0.812 694 L CB 0.716 42.794 42.059 0.031 0.000 1.125 694 L HN 0.703 nan 8.230 nan 0.000 0.452 695 W N 3.619 124.975 121.300 0.093 0.000 2.883 695 W HA 0.489 5.156 4.660 0.013 0.000 0.335 695 W C -0.972 175.650 176.519 0.170 0.000 1.083 695 W CA -0.508 56.913 57.345 0.126 0.000 1.233 695 W CB 1.660 31.209 29.460 0.148 0.000 1.412 695 W HN 0.082 nan 8.180 nan 0.000 0.490 696 L N 3.157 124.646 121.223 0.444 0.000 2.282 696 L HA 0.784 5.132 4.340 0.013 0.000 0.288 696 L C -0.312 176.857 176.870 0.497 0.000 1.033 696 L CA 0.210 55.303 54.840 0.422 0.000 0.807 696 L CB 1.269 43.536 42.059 0.347 0.000 1.209 696 L HN 0.334 nan 8.230 nan 0.000 0.423 697 T N 4.994 119.790 114.554 0.403 0.000 2.824 697 T HA 0.675 5.033 4.350 0.013 0.000 0.282 697 T C -0.736 174.159 174.700 0.325 0.000 0.993 697 T CA -0.457 61.841 62.100 0.330 0.000 0.967 697 T CB 1.556 70.558 68.868 0.224 0.000 0.960 697 T HN 0.587 nan 8.240 nan 0.000 0.441 698 V N 1.441 121.518 119.914 0.273 0.000 2.680 698 V HA 0.819 4.947 4.120 0.013 0.000 0.309 698 V C -0.641 175.559 176.094 0.176 0.000 1.052 698 V CA -1.134 61.289 62.300 0.204 0.000 0.908 698 V CB 1.854 33.702 31.823 0.042 0.000 1.001 698 V HN 0.813 nan 8.190 nan 0.000 0.431 699 R N 2.178 122.815 120.500 0.229 0.000 2.673 699 R HA 0.770 5.118 4.340 0.013 0.000 0.281 699 R C -1.746 174.738 176.300 0.305 0.000 0.991 699 R CA -0.777 55.496 56.100 0.289 0.000 0.896 699 R CB 2.756 33.193 30.300 0.228 0.000 1.201 699 R HN 0.668 nan 8.270 nan 0.000 0.457 700 V N 3.285 123.405 119.914 0.343 0.000 2.398 700 V HA 0.430 4.558 4.120 0.013 0.000 0.286 700 V C -0.205 176.048 176.094 0.266 0.000 1.026 700 V CA -0.650 61.812 62.300 0.270 0.000 0.868 700 V CB 1.764 33.722 31.823 0.225 0.000 0.982 700 V HN 0.431 nan 8.190 nan 0.000 0.443 701 V N 4.703 124.763 119.914 0.243 0.000 2.680 701 V HA 0.431 4.559 4.120 0.013 0.000 0.309 701 V C -0.406 175.803 176.094 0.191 0.000 1.052 701 V CA -0.791 61.645 62.300 0.226 0.000 0.908 701 V CB 2.125 34.133 31.823 0.309 0.000 1.001 701 V HN 0.901 nan 8.190 nan 0.000 0.431 702 Q N 4.874 124.788 119.800 0.190 0.000 2.390 702 Q HA 0.281 4.629 4.340 0.013 0.000 0.249 702 Q C -1.811 174.251 176.000 0.104 0.000 0.996 702 Q CA -1.768 54.126 55.803 0.153 0.000 0.899 702 Q CB 1.913 30.754 28.738 0.173 0.000 1.216 702 Q HN 0.462 nan 8.270 nan 0.000 0.465 703 P HA -0.172 nan 4.420 nan 0.000 0.217 703 P C -0.524 176.793 177.300 0.030 0.000 1.150 703 P CA 1.191 64.329 63.100 0.062 0.000 0.832 703 P CB 0.353 32.085 31.700 0.054 0.000 0.787 704 N N -0.657 118.049 118.700 0.010 0.000 2.487 704 N HA 0.442 5.190 4.740 0.013 0.000 0.292 704 N C -0.286 175.185 175.510 -0.065 0.000 1.108 704 N CA -0.713 52.325 53.050 -0.020 0.000 0.956 704 N CB 0.964 39.439 38.487 -0.020 0.000 1.176 704 N HN -0.052 nan 8.380 nan 0.000 0.484 705 A N 0.775 123.547 122.820 -0.080 0.000 2.406 705 A HA 0.433 4.761 4.320 0.013 0.000 0.243 705 A C 0.568 178.039 177.584 -0.189 0.000 1.082 705 A CA 0.011 51.965 52.037 -0.139 0.000 0.786 705 A CB 0.019 18.962 19.000 -0.095 0.000 1.029 705 A HN 0.709 nan 8.150 nan 0.000 0.495 706 T N -3.047 111.314 114.554 -0.322 0.000 2.742 706 T HA 0.631 4.989 4.350 0.013 0.000 0.282 706 T C 0.885 175.422 174.700 -0.271 0.000 1.025 706 T CA 0.042 61.927 62.100 -0.359 0.000 1.020 706 T CB 1.127 69.538 68.868 -0.762 0.000 1.317 706 T HN 1.362 nan 8.240 nan 0.000 0.538 707 A N -0.142 122.607 122.820 -0.118 0.000 2.119 707 A HA 0.146 4.474 4.320 0.013 0.000 0.217 707 A C 1.526 179.263 177.584 0.256 0.000 1.153 707 A CA 0.874 52.959 52.037 0.081 0.000 0.692 707 A CB -0.846 18.245 19.000 0.151 0.000 0.799 707 A HN 0.907 nan 8.150 nan 0.000 0.458 708 W N -0.792 120.580 121.300 0.119 0.000 2.518 708 W HA 0.422 5.091 4.660 0.014 0.000 0.352 708 W C -0.285 176.203 176.519 -0.051 0.000 0.952 708 W CA 0.423 57.803 57.345 0.058 0.000 1.624 708 W CB -0.931 28.554 29.460 0.042 0.000 1.135 708 W HN 0.373 nan 8.180 nan 0.000 0.540 709 S N -0.219 115.054 115.700 -0.713 0.000 2.579 709 S HA 0.486 4.964 4.470 0.013 0.000 0.272 709 S C -1.250 173.122 174.600 -0.381 0.000 1.141 709 S CA -0.686 57.109 58.200 -0.676 0.000 0.843 709 S CB 2.960 65.347 63.200 -1.354 0.000 1.122 709 S HN 0.084 nan 8.310 nan 0.000 0.468 710 E N 0.468 120.556 120.200 -0.187 0.000 2.314 710 E HA 0.650 5.008 4.350 0.013 0.000 0.262 710 E C 0.172 176.741 176.600 -0.052 0.000 1.093 710 E CA -0.718 55.634 56.400 -0.081 0.000 0.908 710 E CB 1.231 30.930 29.700 -0.002 0.000 1.091 710 E HN 0.919 nan 8.360 nan 0.000 0.425 711 A N 1.200 124.001 122.820 -0.032 0.000 2.540 711 A HA 0.391 4.719 4.320 0.013 0.000 0.239 711 A C 1.100 178.707 177.584 0.037 0.000 1.061 711 A CA 0.778 52.813 52.037 -0.004 0.000 0.758 711 A CB -0.554 18.444 19.000 -0.003 0.000 0.991 711 A HN 0.875 nan 8.150 nan 0.000 0.502 712 G N 0.646 109.484 108.800 0.065 0.000 2.176 712 G HA2 -0.250 3.718 3.960 0.013 0.000 0.253 712 G HA3 -0.250 3.718 3.960 0.013 0.000 0.253 712 G C 0.273 175.240 174.900 0.113 0.000 0.979 712 G CA 0.693 45.839 45.100 0.076 0.000 0.641 712 G HN 1.779 nan 8.290 nan 0.000 0.530 713 H N 0.727 119.820 119.070 0.038 0.000 3.001 713 H HA 0.427 4.991 4.556 0.013 0.000 0.334 713 H C 0.724 176.143 175.328 0.152 0.000 1.034 713 H CA 0.390 56.486 56.048 0.081 0.000 1.420 713 H CB 0.161 29.952 29.762 0.048 0.000 1.405 713 H HN 0.311 nan 8.280 nan 0.000 0.593 714 I N 4.532 124.895 120.570 -0.344 0.000 2.325 714 I HA 0.037 4.215 4.170 0.013 0.000 0.291 714 I C 0.927 176.893 176.117 -0.252 0.000 1.019 714 I CA 0.127 61.342 61.300 -0.140 0.000 1.302 714 I CB 1.445 39.431 38.000 -0.024 0.000 1.401 714 I HN 0.789 nan 8.210 nan 0.000 0.485 715 S N 4.236 120.009 115.700 0.121 0.000 2.512 715 S HA 0.577 5.055 4.470 0.013 0.000 0.216 715 S C 0.416 175.278 174.600 0.437 0.000 1.006 715 S CA -0.003 58.398 58.200 0.336 0.000 0.915 715 S CB 0.575 64.092 63.200 0.529 0.000 0.824 715 S HN 0.709 nan 8.310 nan 0.000 0.497 716 A N 0.474 123.595 122.820 0.502 0.000 2.599 716 A HA 0.651 4.979 4.320 0.013 0.000 0.294 716 A C -1.762 176.201 177.584 0.631 0.000 1.055 716 A CA -0.880 51.435 52.037 0.464 0.000 0.683 716 A CB 0.350 19.670 19.000 0.534 0.000 1.278 716 A HN 0.926 nan 8.150 nan 0.000 0.412 717 W N -0.018 121.497 121.300 0.358 0.000 3.005 717 W HA 0.821 5.489 4.660 0.014 0.000 0.343 717 W C -1.150 175.461 176.519 0.153 0.000 1.243 717 W CA -0.645 56.808 57.345 0.180 0.000 1.186 717 W CB 1.217 30.738 29.460 0.102 0.000 1.453 717 W HN 1.082 nan 8.180 nan 0.000 0.575 718 Q N 0.995 120.876 119.800 0.135 0.000 2.545 718 Q HA 0.385 4.732 4.340 0.013 0.000 0.273 718 Q C -1.733 174.126 176.000 -0.236 0.000 0.975 718 Q CA -0.424 55.298 55.803 -0.135 0.000 0.876 718 Q CB 2.177 30.619 28.738 -0.492 0.000 1.472 718 Q HN 0.646 nan 8.270 nan 0.000 0.389 719 Q N 1.443 121.060 119.800 -0.305 0.000 2.433 719 Q HA 0.691 5.039 4.340 0.013 0.000 0.279 719 Q C -1.083 174.799 176.000 -0.196 0.000 1.105 719 Q CA -0.710 55.074 55.803 -0.032 0.000 0.815 719 Q CB 2.381 31.296 28.738 0.296 0.000 1.403 719 Q HN 0.594 nan 8.270 nan 0.000 0.435 720 W N 0.836 122.298 121.300 0.270 0.000 3.127 720 W HA 0.436 5.104 4.660 0.012 0.000 0.330 720 W C -0.451 175.999 176.519 -0.114 0.000 1.187 720 W CA -0.645 56.759 57.345 0.098 0.000 1.198 720 W CB 1.808 31.285 29.460 0.028 0.000 1.408 720 W HN 0.459 nan 8.180 nan 0.000 0.529 721 R N 1.528 121.896 120.500 -0.219 0.000 2.490 721 R HA 0.542 4.890 4.340 0.013 0.000 0.278 721 R C 0.487 176.632 176.300 -0.259 0.000 1.069 721 R CA -0.247 55.439 56.100 -0.690 0.000 1.080 721 R CB 1.236 31.049 30.300 -0.813 0.000 1.030 721 R HN 0.293 nan 8.270 nan 0.000 0.491 722 L N 0.919 121.995 121.223 -0.245 0.000 2.783 722 L HA 0.556 4.904 4.340 0.013 0.000 0.205 722 L C 0.534 177.319 176.870 -0.141 0.000 1.985 722 L CA -1.155 53.608 54.840 -0.129 0.000 2.546 722 L CB -0.017 42.004 42.059 -0.063 0.000 2.829 722 L HN 0.607 nan 8.230 nan 0.000 0.614 723 A N 0.289 123.055 122.820 -0.090 0.000 2.466 723 A HA 0.195 4.523 4.320 0.013 0.000 0.238 723 A C -0.303 177.231 177.584 -0.082 0.000 1.074 723 A CA 0.234 52.226 52.037 -0.075 0.000 0.774 723 A CB 0.132 19.106 19.000 -0.045 0.000 1.015 723 A HN 0.623 nan 8.150 nan 0.000 0.498 724 E N 0.755 120.914 120.200 -0.069 0.000 2.222 724 E HA 0.345 4.703 4.350 0.013 0.000 0.267 724 E C -1.410 175.176 176.600 -0.024 0.000 0.884 724 E CA -0.688 55.679 56.400 -0.055 0.000 0.764 724 E CB 0.892 30.552 29.700 -0.067 0.000 1.169 724 E HN 0.685 nan 8.360 nan 0.000 0.413 725 N N 5.044 123.741 118.700 -0.004 0.000 2.569 725 N HA 0.257 5.005 4.740 0.013 0.000 0.254 725 N C -0.667 174.852 175.510 0.015 0.000 1.004 725 N CA -0.354 52.699 53.050 0.006 0.000 0.904 725 N CB 1.179 39.672 38.487 0.011 0.000 1.165 725 N HN 0.472 nan 8.380 nan 0.000 0.513 726 L N 0.821 122.052 121.223 0.013 0.000 2.456 726 L HA 0.097 4.445 4.340 0.013 0.000 0.272 726 L C 1.324 178.210 176.870 0.027 0.000 1.189 726 L CA 0.151 55.004 54.840 0.022 0.000 0.846 726 L CB 0.478 42.548 42.059 0.020 0.000 1.111 726 L HN 0.361 nan 8.230 nan 0.000 0.475 727 S N 1.757 117.479 115.700 0.035 0.000 2.505 727 S HA 0.261 4.739 4.470 0.013 0.000 0.276 727 S C 0.546 175.165 174.600 0.032 0.000 1.274 727 S CA -0.743 57.478 58.200 0.036 0.000 1.053 727 S CB 0.884 64.111 63.200 0.044 0.000 0.919 727 S HN 0.475 nan 8.310 nan 0.000 0.490 728 V N 2.247 122.176 119.914 0.026 0.000 3.432 728 V HA 0.333 4.461 4.120 0.013 0.000 0.298 728 V C 0.696 176.803 176.094 0.021 0.000 1.464 728 V CA 0.228 62.542 62.300 0.023 0.000 1.046 728 V CB -0.701 31.132 31.823 0.018 0.000 0.887 728 V HN 0.855 nan 8.190 nan 0.000 0.441 729 T N 0.494 115.062 114.554 0.023 0.000 2.899 729 T HA 0.663 5.021 4.350 0.013 0.000 0.295 729 T C -0.330 174.384 174.700 0.022 0.000 1.033 729 T CA -0.306 61.806 62.100 0.021 0.000 1.084 729 T CB 1.605 70.486 68.868 0.021 0.000 0.979 729 T HN 0.226 nan 8.240 nan 0.000 0.532 730 L N 2.975 124.208 121.223 0.016 0.000 2.334 730 L HA 0.478 4.826 4.340 0.013 0.000 0.277 730 L C -1.662 175.217 176.870 0.014 0.000 1.075 730 L CA -1.831 53.017 54.840 0.015 0.000 0.804 730 L CB -0.107 41.956 42.059 0.007 0.000 1.174 730 L HN 0.599 nan 8.230 nan 0.000 0.438 731 P HA 0.200 nan 4.420 nan 0.000 0.269 731 P C -0.574 176.727 177.300 0.001 0.000 1.217 731 P CA -0.484 62.628 63.100 0.021 0.000 0.783 731 P CB 0.430 32.149 31.700 0.032 0.000 0.898 732 A N 1.700 124.522 122.820 0.003 0.000 2.492 732 A HA 0.421 4.749 4.320 0.013 0.000 0.236 732 A C 0.579 178.103 177.584 -0.100 0.000 1.078 732 A CA 0.100 52.119 52.037 -0.029 0.000 0.773 732 A CB -0.576 18.427 19.000 0.006 0.000 1.023 732 A HN 0.697 nan 8.150 nan 0.000 0.504 733 A N 1.371 124.074 122.820 -0.196 0.000 2.565 733 A HA 0.354 4.682 4.320 0.013 0.000 0.237 733 A C 0.877 178.158 177.584 -0.506 0.000 1.053 733 A CA 0.557 52.417 52.037 -0.296 0.000 0.755 733 A CB -0.283 18.551 19.000 -0.277 0.000 0.980 733 A HN 1.096 nan 8.150 nan 0.000 0.506 734 S N 1.728 117.287 115.700 -0.235 0.000 2.686 734 S HA 0.190 4.668 4.470 0.013 0.000 0.324 734 S C 1.019 175.564 174.600 -0.092 0.000 1.172 734 S CA -0.370 57.768 58.200 -0.104 0.000 1.127 734 S CB -0.579 62.603 63.200 -0.029 0.000 1.338 734 S HN 0.785 nan 8.310 nan 0.000 0.547 735 H N 2.728 121.799 119.070 0.002 0.000 2.256 735 H HA 0.143 4.706 4.556 0.013 0.000 0.299 735 H C 1.385 176.711 175.328 -0.004 0.000 1.071 735 H CA 1.308 57.358 56.048 0.002 0.000 1.280 735 H CB -0.643 29.122 29.762 0.005 0.000 1.370 735 H HN 0.609 nan 8.280 nan 0.000 0.490 736 A N 0.744 123.668 122.820 0.174 0.000 2.450 736 A HA 0.637 4.965 4.320 0.013 0.000 0.281 736 A C -0.212 177.381 177.584 0.014 0.000 1.372 736 A CA -0.153 51.921 52.037 0.062 0.000 0.886 736 A CB 0.302 19.319 19.000 0.028 0.000 1.462 736 A HN 0.451 nan 8.150 nan 0.000 0.514 737 I N -1.106 119.428 120.570 -0.060 0.000 2.667 737 I HA 0.470 4.648 4.170 0.013 0.000 0.288 737 I C -3.036 172.922 176.117 -0.265 0.000 1.267 737 I CA -1.795 59.441 61.300 -0.107 0.000 1.055 737 I CB 2.342 40.299 38.000 -0.071 0.000 1.294 737 I HN 0.329 nan 8.210 nan 0.000 0.429 738 P HA 0.316 nan 4.420 nan 0.000 0.272 738 P C -1.470 175.656 177.300 -0.289 0.000 1.230 738 P CA 0.173 63.139 63.100 -0.223 0.000 0.788 738 P CB 0.334 31.973 31.700 -0.102 0.000 0.949 739 H N -0.160 118.941 119.070 0.051 0.000 2.492 739 H HA 0.532 5.096 4.556 0.013 0.000 0.345 739 H C -0.598 174.761 175.328 0.051 0.000 1.136 739 H CA -1.009 55.062 56.048 0.038 0.000 1.202 739 H CB 1.395 31.180 29.762 0.038 0.000 1.524 739 H HN 0.247 nan 8.280 nan 0.000 0.506 740 L N 2.163 123.504 121.223 0.197 0.000 2.317 740 L HA 0.470 4.818 4.340 0.013 0.000 0.281 740 L C -0.627 176.317 176.870 0.123 0.000 1.024 740 L CA 0.020 54.936 54.840 0.128 0.000 0.810 740 L CB 1.772 43.855 42.059 0.041 0.000 1.240 740 L HN 0.580 nan 8.230 nan 0.000 0.427 741 T N 3.136 117.779 114.554 0.148 0.000 2.824 741 T HA 0.603 4.961 4.350 0.013 0.000 0.282 741 T C -0.658 174.153 174.700 0.186 0.000 0.993 741 T CA -0.357 61.819 62.100 0.127 0.000 0.967 741 T CB 1.378 70.303 68.868 0.095 0.000 0.960 741 T HN 0.720 nan 8.240 nan 0.000 0.441 742 T N 2.517 117.172 114.554 0.168 0.000 2.885 742 T HA 0.776 5.134 4.350 0.013 0.000 0.285 742 T C -0.303 174.444 174.700 0.079 0.000 1.019 742 T CA -0.785 61.438 62.100 0.204 0.000 1.010 742 T CB 1.490 70.510 68.868 0.255 0.000 1.022 742 T HN 0.700 nan 8.240 nan 0.000 0.466 743 S N 0.411 116.111 115.700 0.001 0.000 2.651 743 S HA 0.442 4.920 4.470 0.013 0.000 0.279 743 S C 0.778 175.322 174.600 -0.093 0.000 1.148 743 S CA -0.868 57.315 58.200 -0.028 0.000 0.837 743 S CB 1.859 65.049 63.200 -0.017 0.000 1.138 743 S HN 0.754 nan 8.310 nan 0.000 0.478 744 E N -0.138 120.020 120.200 -0.071 0.000 2.153 744 E HA -0.132 4.226 4.350 0.013 0.000 0.194 744 E C 1.148 177.666 176.600 -0.137 0.000 0.988 744 E CA 1.145 57.489 56.400 -0.094 0.000 0.811 744 E CB -0.104 29.565 29.700 -0.052 0.000 0.746 744 E HN 0.626 nan 8.360 nan 0.000 0.466 745 M N 0.511 120.047 119.600 -0.107 0.000 2.334 745 M HA 0.116 4.604 4.480 0.013 0.000 0.266 745 M C -0.096 176.128 176.300 -0.127 0.000 1.082 745 M CA 0.949 56.193 55.300 -0.094 0.000 1.141 745 M CB -0.242 32.336 32.600 -0.036 0.000 1.380 745 M HN -0.069 nan 8.290 nan 0.000 0.440 746 D N -1.838 118.470 120.400 -0.153 0.000 2.570 746 D HA 0.458 5.106 4.640 0.013 0.000 0.244 746 D C -1.432 174.766 176.300 -0.169 0.000 1.178 746 D CA -0.392 53.531 54.000 -0.128 0.000 0.881 746 D CB 1.966 42.794 40.800 0.045 0.000 1.453 746 D HN -0.116 nan 8.370 nan 0.000 0.447 747 F N 0.766 120.804 119.950 0.146 0.000 2.449 747 F HA 0.458 4.992 4.527 0.013 0.000 0.342 747 F C -0.406 175.533 175.800 0.232 0.000 1.127 747 F CA -0.899 57.183 58.000 0.136 0.000 0.975 747 F CB 1.173 40.206 39.000 0.056 0.000 1.146 747 F HN 0.132 nan 8.300 nan 0.000 0.444 748 C N 5.078 124.599 119.300 0.367 0.000 2.298 748 C HA 0.633 5.101 4.460 0.013 0.000 0.323 748 C C -0.177 174.988 174.990 0.293 0.000 1.284 748 C CA -0.778 58.429 59.018 0.315 0.000 1.577 748 C CB -0.003 27.855 27.740 0.196 0.000 2.249 748 C HN 0.489 nan 8.230 nan 0.000 0.497 749 I N 3.125 123.914 120.570 0.364 0.000 2.354 749 I HA 0.419 4.597 4.170 0.013 0.000 0.292 749 I C 0.182 176.544 176.117 0.408 0.000 0.989 749 I CA 0.044 61.535 61.300 0.320 0.000 1.188 749 I CB 0.958 39.112 38.000 0.257 0.000 1.342 749 I HN 0.627 nan 8.210 nan 0.000 0.457 750 E N 6.196 126.567 120.200 0.285 0.000 2.199 750 E HA 0.707 5.065 4.350 0.013 0.000 0.269 750 E C -1.763 174.972 176.600 0.224 0.000 0.899 750 E CA -0.872 55.678 56.400 0.250 0.000 0.772 750 E CB 2.069 31.853 29.700 0.139 0.000 1.155 750 E HN 0.511 nan 8.360 nan 0.000 0.408 751 L N 4.887 126.266 121.223 0.261 0.000 2.611 751 L HA 0.478 4.825 4.340 0.013 0.000 0.263 751 L C 0.089 177.027 176.870 0.114 0.000 0.969 751 L CA 0.606 55.562 54.840 0.194 0.000 0.894 751 L CB 1.257 43.450 42.059 0.224 0.000 1.229 751 L HN 0.817 nan 8.230 nan 0.000 0.416 752 G N 4.287 113.114 108.800 0.046 0.000 2.591 752 G HA2 -0.409 3.559 3.960 0.013 0.000 0.298 752 G HA3 -0.409 3.559 3.960 0.013 0.000 0.298 752 G C 0.351 175.245 174.900 -0.011 0.000 1.195 752 G CA 0.607 45.714 45.100 0.010 0.000 0.989 752 G HN 1.240 nan 8.290 nan 0.000 0.551 753 N N 1.008 119.685 118.700 -0.038 0.000 2.251 753 N HA 0.212 4.960 4.740 0.013 0.000 0.217 753 N C 0.197 175.648 175.510 -0.099 0.000 1.124 753 N CA 0.386 53.397 53.050 -0.064 0.000 0.843 753 N CB 0.506 38.955 38.487 -0.064 0.000 1.024 753 N HN 0.682 nan 8.380 nan 0.000 0.501 754 K N 0.999 121.334 120.400 -0.109 0.000 2.206 754 K HA 0.429 4.757 4.320 0.013 0.000 0.264 754 K C -0.205 176.225 176.600 -0.283 0.000 0.967 754 K CA -0.628 55.486 56.287 -0.289 0.000 0.844 754 K CB 1.534 33.783 32.500 -0.418 0.000 1.099 754 K HN 0.182 nan 8.250 nan 0.000 0.441 755 R N 2.422 122.699 120.500 -0.372 0.000 2.725 755 R HA 0.477 4.824 4.340 0.013 0.000 0.277 755 R C -1.080 175.184 176.300 -0.060 0.000 0.987 755 R CA -0.995 55.080 56.100 -0.042 0.000 0.901 755 R CB 1.791 32.080 30.300 -0.018 0.000 1.207 755 R HN 0.520 nan 8.270 nan 0.000 0.463 756 W N 1.467 122.907 121.300 0.233 0.000 2.957 756 W HA 0.329 4.997 4.660 0.013 0.000 0.336 756 W C -0.663 175.964 176.519 0.179 0.000 1.087 756 W CA -0.615 56.791 57.345 0.102 0.000 1.235 756 W CB 2.643 32.137 29.460 0.056 0.000 1.399 756 W HN 0.512 nan 8.180 nan 0.000 0.480 757 Q N 2.258 122.199 119.800 0.236 0.000 2.330 757 Q HA 0.487 4.835 4.340 0.013 0.000 0.269 757 Q C -1.762 174.214 176.000 -0.040 0.000 1.022 757 Q CA -0.498 55.444 55.803 0.232 0.000 0.796 757 Q CB 1.579 30.508 28.738 0.318 0.000 1.271 757 Q HN 0.337 nan 8.270 nan 0.000 0.450 758 F N 2.579 122.616 119.950 0.146 0.000 2.426 758 F HA 0.321 4.855 4.527 0.013 0.000 0.348 758 F C 0.454 176.283 175.800 0.048 0.000 1.124 758 F CA -0.918 57.134 58.000 0.087 0.000 1.008 758 F CB 1.325 40.382 39.000 0.096 0.000 1.139 758 F HN 0.468 nan 8.300 nan 0.000 0.452 759 N N 3.615 122.434 118.700 0.198 0.000 2.431 759 N HA 0.070 4.818 4.740 0.013 0.000 0.265 759 N C 0.925 176.457 175.510 0.036 0.000 1.184 759 N CA 0.152 53.261 53.050 0.098 0.000 0.943 759 N CB 0.677 39.231 38.487 0.112 0.000 1.080 759 N HN 0.687 nan 8.380 nan 0.000 0.477 760 R N 2.259 122.711 120.500 -0.081 0.000 2.236 760 R HA -0.088 4.260 4.340 0.013 0.000 0.208 760 R C 1.656 177.900 176.300 -0.095 0.000 1.036 760 R CA 0.707 56.714 56.100 -0.155 0.000 1.001 760 R CB 0.195 30.293 30.300 -0.338 0.000 0.896 760 R HN 0.678 nan 8.270 nan 0.000 0.464 761 Q N 0.390 120.160 119.800 -0.049 0.000 2.204 761 Q HA -0.062 4.285 4.340 0.013 0.000 0.198 761 Q C 1.842 177.834 176.000 -0.013 0.000 0.946 761 Q CA 1.521 57.306 55.803 -0.031 0.000 0.859 761 Q CB 0.284 29.019 28.738 -0.005 0.000 0.946 761 Q HN 0.249 nan 8.270 nan 0.000 0.474 762 S N -1.650 114.067 115.700 0.029 0.000 2.456 762 S HA 0.236 4.714 4.470 0.013 0.000 0.224 762 S C 1.490 176.029 174.600 -0.101 0.000 1.035 762 S CA 0.612 58.855 58.200 0.072 0.000 0.940 762 S CB 0.366 63.716 63.200 0.249 0.000 0.799 762 S HN 0.706 nan 8.310 nan 0.000 0.508 763 G N 0.368 109.115 108.800 -0.088 0.000 2.141 763 G HA2 -0.204 3.764 3.960 0.013 0.000 0.242 763 G HA3 -0.204 3.764 3.960 0.013 0.000 0.242 763 G C -0.095 174.742 174.900 -0.106 0.000 0.982 763 G CA 0.202 45.216 45.100 -0.143 0.000 0.662 763 G HN 0.536 nan 8.290 nan 0.000 0.527 764 F N -0.966 119.173 119.950 0.315 0.000 2.538 764 F HA 0.653 5.188 4.527 0.013 0.000 0.325 764 F C 0.584 176.439 175.800 0.091 0.000 1.066 764 F CA -1.454 56.696 58.000 0.250 0.000 0.946 764 F CB 1.485 40.583 39.000 0.164 0.000 1.199 764 F HN 0.008 nan 8.300 nan 0.000 0.473 765 L N 2.360 123.639 121.223 0.093 0.000 2.638 765 L HA 0.078 4.426 4.340 0.013 0.000 0.273 765 L C 1.118 177.873 176.870 -0.192 0.000 1.147 765 L CA 0.502 55.022 54.840 -0.533 0.000 0.941 765 L CB 0.193 41.936 42.059 -0.527 0.000 1.251 765 L HN 0.716 nan 8.230 nan 0.000 0.479 766 S N 2.662 118.258 115.700 -0.174 0.000 2.503 766 S HA 0.229 4.706 4.470 0.013 0.000 0.217 766 S C 0.595 175.068 174.600 -0.212 0.000 0.999 766 S CA 0.046 58.188 58.200 -0.097 0.000 0.914 766 S CB 0.100 63.297 63.200 -0.005 0.000 0.782 766 S HN 0.712 nan 8.310 nan 0.000 0.520 767 Q N -0.354 119.248 119.800 -0.330 0.000 2.647 767 Q HA 0.658 5.006 4.340 0.013 0.000 0.283 767 Q C -2.046 173.565 176.000 -0.648 0.000 0.943 767 Q CA -0.263 55.199 55.803 -0.568 0.000 0.813 767 Q CB 1.606 29.876 28.738 -0.780 0.000 1.477 767 Q HN 0.456 nan 8.270 nan 0.000 0.393 768 M N 1.391 120.487 119.600 -0.840 0.000 2.421 768 M HA 0.599 5.087 4.480 0.013 0.000 0.287 768 M C -1.520 174.372 176.300 -0.680 0.000 1.183 768 M CA -0.393 54.513 55.300 -0.656 0.000 0.916 768 M CB 2.229 34.435 32.600 -0.657 0.000 1.701 768 M HN 0.487 nan 8.290 nan 0.000 0.470 769 W N 2.941 124.000 121.300 -0.401 0.000 2.864 769 W HA 0.653 5.321 4.660 0.013 0.000 0.343 769 W C -1.301 175.011 176.519 -0.345 0.000 1.109 769 W CA -0.720 56.447 57.345 -0.296 0.000 1.192 769 W CB 1.628 30.961 29.460 -0.211 0.000 1.426 769 W HN 0.461 nan 8.180 nan 0.000 0.529 770 I N 2.464 123.033 120.570 -0.000 0.000 2.382 770 I HA 0.418 4.596 4.170 0.013 0.000 0.285 770 I C 0.835 176.937 176.117 -0.026 0.000 1.007 770 I CA 0.291 61.537 61.300 -0.089 0.000 1.142 770 I CB 0.961 38.886 38.000 -0.125 0.000 1.289 770 I HN 0.715 nan 8.210 nan 0.000 0.453 771 G N 5.510 114.283 108.800 -0.045 0.000 2.566 771 G HA2 -0.360 3.608 3.960 0.013 0.000 0.280 771 G HA3 -0.360 3.608 3.960 0.013 0.000 0.280 771 G C 0.266 175.162 174.900 -0.008 0.000 1.225 771 G CA 0.692 45.767 45.100 -0.042 0.000 0.966 771 G HN 0.817 nan 8.290 nan 0.000 0.560 772 D N 0.503 120.905 120.400 0.002 0.000 2.349 772 D HA 0.251 4.899 4.640 0.013 0.000 0.224 772 D C 1.016 177.423 176.300 0.179 0.000 1.029 772 D CA 0.958 54.986 54.000 0.045 0.000 0.879 772 D CB 0.205 41.012 40.800 0.011 0.000 0.906 772 D HN 0.625 nan 8.370 nan 0.000 0.528 773 K N 1.551 122.029 120.400 0.131 0.000 2.276 773 K HA 0.159 4.487 4.320 0.013 0.000 0.285 773 K C -0.517 176.109 176.600 0.044 0.000 1.062 773 K CA -0.697 55.641 56.287 0.085 0.000 0.918 773 K CB 0.664 33.163 32.500 -0.001 0.000 1.055 773 K HN -0.214 nan 8.250 nan 0.000 0.477 774 K N 3.184 123.561 120.400 -0.038 0.000 2.412 774 K HA -0.009 4.319 4.320 0.013 0.000 0.281 774 K C 0.570 177.014 176.600 -0.260 0.000 1.027 774 K CA -0.090 55.987 56.287 -0.350 0.000 0.989 774 K CB 0.806 33.102 32.500 -0.341 0.000 0.935 774 K HN 0.580 nan 8.250 nan 0.000 0.475 775 Q N 1.639 121.236 119.800 -0.339 0.000 2.350 775 Q HA 0.180 4.528 4.340 0.013 0.000 0.225 775 Q C -0.003 175.920 176.000 -0.128 0.000 0.878 775 Q CA 0.488 56.197 55.803 -0.157 0.000 0.935 775 Q CB 0.538 29.209 28.738 -0.112 0.000 1.099 775 Q HN 0.502 nan 8.270 nan 0.000 0.527 776 L N 1.008 122.086 121.223 -0.243 0.000 2.341 776 L HA 0.386 4.734 4.340 0.013 0.000 0.278 776 L C 0.869 177.608 176.870 -0.218 0.000 1.005 776 L CA -0.338 54.377 54.840 -0.209 0.000 0.818 776 L CB 1.665 43.586 42.059 -0.230 0.000 1.259 776 L HN -0.067 nan 8.230 nan 0.000 0.418 777 L N 0.843 121.933 121.223 -0.222 0.000 2.408 777 L HA 0.212 4.560 4.340 0.013 0.000 0.215 777 L C 0.222 176.973 176.870 -0.198 0.000 1.081 777 L CA 0.704 55.419 54.840 -0.208 0.000 0.840 777 L CB 0.358 42.286 42.059 -0.218 0.000 1.002 777 L HN 0.603 nan 8.230 nan 0.000 0.468 778 T N 0.034 114.438 114.554 -0.250 0.000 2.916 778 T HA 0.405 4.763 4.350 0.013 0.000 0.298 778 T C -2.574 172.044 174.700 -0.138 0.000 1.031 778 T CA -1.203 60.793 62.100 -0.173 0.000 0.993 778 T CB 2.434 71.173 68.868 -0.215 0.000 1.045 778 T HN -0.279 nan 8.240 nan 0.000 0.454 779 P HA 0.167 nan 4.420 nan 0.000 0.269 779 P C -0.613 176.651 177.300 -0.061 0.000 1.217 779 P CA -0.726 62.339 63.100 -0.059 0.000 0.783 779 P CB 0.441 32.137 31.700 -0.006 0.000 0.898 780 L N 3.052 124.278 121.223 0.005 0.000 2.325 780 L HA 0.246 4.594 4.340 0.013 0.000 0.284 780 L C 0.161 177.000 176.870 -0.052 0.000 1.089 780 L CA 0.537 55.413 54.840 0.061 0.000 0.836 780 L CB -0.597 41.612 42.059 0.249 0.000 1.184 780 L HN 0.265 nan 8.230 nan 0.000 0.444 781 R N 2.962 123.321 120.500 -0.236 0.000 2.807 781 R HA 0.439 4.787 4.340 0.013 0.000 0.276 781 R C -0.847 175.313 176.300 -0.234 0.000 0.979 781 R CA -1.066 54.704 56.100 -0.550 0.000 0.928 781 R CB 1.307 31.161 30.300 -0.743 0.000 1.191 781 R HN 0.553 nan 8.270 nan 0.000 0.471 782 D N 1.298 121.640 120.400 -0.096 0.000 2.419 782 D HA -0.006 4.641 4.640 0.013 0.000 0.236 782 D C -0.329 175.615 176.300 -0.593 0.000 1.165 782 D CA 0.680 54.508 54.000 -0.287 0.000 0.882 782 D CB 0.632 41.270 40.800 -0.269 0.000 1.201 782 D HN 0.226 nan 8.370 nan 0.000 0.443 783 Q N 1.123 120.361 119.800 -0.936 0.000 2.305 783 Q HA 0.339 4.687 4.340 0.013 0.000 0.271 783 Q C -1.189 174.032 176.000 -1.300 0.000 1.046 783 Q CA -0.581 54.707 55.803 -0.859 0.000 0.798 783 Q CB 0.848 29.302 28.738 -0.474 0.000 1.286 783 Q HN 0.561 nan 8.270 nan 0.000 0.435 784 F N 0.533 120.091 119.950 -0.653 0.000 2.728 784 F HA 0.190 4.724 4.527 0.013 0.000 0.314 784 F C 0.762 176.115 175.800 -0.746 0.000 1.094 784 F CA -0.143 57.342 58.000 -0.860 0.000 1.217 784 F CB 1.491 39.616 39.000 -1.458 0.000 1.056 784 F HN 0.471 nan 8.300 nan 0.000 0.577 785 T N -0.617 113.617 114.554 -0.534 0.000 2.926 785 T HA 0.753 5.111 4.350 0.013 0.000 0.289 785 T C -0.518 173.945 174.700 -0.394 0.000 1.054 785 T CA -0.985 60.751 62.100 -0.606 0.000 1.015 785 T CB 2.543 70.987 68.868 -0.707 0.000 1.167 785 T HN 0.222 nan 8.240 nan 0.000 0.526 786 R N -0.165 120.157 120.500 -0.297 0.000 2.795 786 R HA 0.767 5.115 4.340 0.013 0.000 0.275 786 R C -0.764 175.602 176.300 0.111 0.000 0.981 786 R CA -1.236 54.814 56.100 -0.084 0.000 0.917 786 R CB 1.555 31.811 30.300 -0.073 0.000 1.202 786 R HN 0.805 nan 8.270 nan 0.000 0.469 787 A N 3.758 126.620 122.820 0.069 0.000 2.515 787 A HA 0.268 4.595 4.320 0.013 0.000 0.263 787 A C -1.957 175.694 177.584 0.113 0.000 1.096 787 A CA -1.268 50.802 52.037 0.055 0.000 0.769 787 A CB -0.506 18.475 19.000 -0.031 0.000 1.040 787 A HN 0.574 nan 8.150 nan 0.000 0.505 788 P HA 0.079 nan 4.420 nan 0.000 0.264 788 P C -0.241 177.172 177.300 0.188 0.000 1.183 788 P CA 0.415 63.673 63.100 0.264 0.000 0.763 788 P CB 0.377 32.258 31.700 0.301 0.000 0.807 789 L N 2.375 123.675 121.223 0.129 0.000 2.468 789 L HA 0.166 4.514 4.340 0.013 0.000 0.254 789 L C 1.868 178.738 176.870 0.000 0.000 1.171 789 L CA -0.495 54.355 54.840 0.016 0.000 0.809 789 L CB -0.062 41.939 42.059 -0.097 0.000 1.155 789 L HN 0.294 nan 8.230 nan 0.000 0.473 790 D N 0.401 120.738 120.400 -0.105 0.000 2.133 790 D HA -0.171 4.477 4.640 0.013 0.000 0.195 790 D C 1.626 177.835 176.300 -0.151 0.000 0.997 790 D CA 1.438 55.288 54.000 -0.250 0.000 0.840 790 D CB 0.015 40.590 40.800 -0.375 0.000 0.947 790 D HN 0.474 nan 8.370 nan 0.000 0.452 791 N N 0.958 119.597 118.700 -0.102 0.000 2.309 791 N HA -0.107 4.641 4.740 0.013 0.000 0.182 791 N C 1.163 176.683 175.510 0.017 0.000 1.018 791 N CA 0.708 53.734 53.050 -0.040 0.000 0.876 791 N CB -0.157 38.302 38.487 -0.047 0.000 0.972 791 N HN 0.271 nan 8.380 nan 0.000 0.434 792 D N 0.462 120.885 120.400 0.038 0.000 2.183 792 D HA 0.036 4.684 4.640 0.013 0.000 0.203 792 D C 1.973 178.315 176.300 0.070 0.000 0.969 792 D CA 0.363 54.419 54.000 0.093 0.000 0.842 792 D CB 0.113 41.039 40.800 0.209 0.000 0.957 792 D HN 0.315 nan 8.370 nan 0.000 0.484 793 I N 0.798 121.391 120.570 0.039 0.000 2.584 793 I HA -0.053 4.124 4.170 0.013 0.000 0.255 793 I C 1.633 177.769 176.117 0.032 0.000 1.145 793 I CA 0.430 61.743 61.300 0.021 0.000 1.462 793 I CB -0.118 37.859 38.000 -0.039 0.000 1.102 793 I HN -0.070 nan 8.210 nan 0.000 0.433 794 A N 0.717 123.569 122.820 0.054 0.000 5.481 794 A HA -0.334 3.993 4.320 0.013 0.000 0.318 794 A C 1.208 178.940 177.584 0.247 0.000 1.837 794 A CA 2.237 54.366 52.037 0.154 0.000 0.717 794 A CB -1.600 17.452 19.000 0.087 0.000 1.349 794 A HN 0.591 nan 8.150 nan 0.000 0.388 795 V N -2.068 117.940 119.914 0.156 0.000 3.499 795 V HA 0.520 4.648 4.120 0.013 0.000 0.308 795 V C 0.887 177.000 176.094 0.032 0.000 1.319 795 V CA 1.068 63.416 62.300 0.081 0.000 1.194 795 V CB -0.654 31.122 31.823 -0.078 0.000 1.072 795 V HN 1.396 nan 8.190 nan 0.000 0.426 796 S N 1.205 116.926 115.700 0.035 0.000 2.560 796 S HA 0.323 4.801 4.470 0.013 0.000 0.284 796 S C -0.128 174.482 174.600 0.017 0.000 1.327 796 S CA 0.116 58.321 58.200 0.009 0.000 1.055 796 S CB 0.440 63.641 63.200 0.000 0.000 0.868 796 S HN 0.826 nan 8.310 nan 0.000 0.506 797 E N 1.519 121.723 120.200 0.006 0.000 2.292 797 E HA 0.540 4.898 4.350 0.013 0.000 0.272 797 E C 0.580 177.187 176.600 0.012 0.000 0.881 797 E CA -0.369 56.038 56.400 0.013 0.000 0.754 797 E CB 1.524 31.227 29.700 0.005 0.000 1.201 797 E HN 0.624 nan 8.360 nan 0.000 0.425 798 A N 2.028 124.862 122.820 0.022 0.000 1.915 798 A HA -0.307 4.020 4.320 0.013 0.000 0.220 798 A C 2.093 179.686 177.584 0.016 0.000 1.198 798 A CA 2.960 55.011 52.037 0.023 0.000 0.647 798 A CB -1.185 17.835 19.000 0.033 0.000 0.825 798 A HN 0.734 nan 8.150 nan 0.000 0.456 799 T N -1.706 112.856 114.554 0.013 0.000 2.612 799 T HA -0.093 4.265 4.350 0.013 0.000 0.259 799 T C 1.216 175.914 174.700 -0.003 0.000 1.065 799 T CA 1.319 63.422 62.100 0.007 0.000 1.167 799 T CB -0.134 68.737 68.868 0.006 0.000 0.863 799 T HN 0.376 nan 8.240 nan 0.000 0.407 800 R N 1.159 121.653 120.500 -0.011 0.000 2.937 800 R HA 0.359 4.707 4.340 0.013 0.000 0.264 800 R C -0.713 175.574 176.300 -0.022 0.000 1.334 800 R CA -0.679 55.408 56.100 -0.022 0.000 1.516 800 R CB 0.033 30.312 30.300 -0.035 0.000 1.187 800 R HN 0.379 nan 8.270 nan 0.000 0.609 801 I N 1.793 122.354 120.570 -0.016 0.000 2.775 801 I HA -0.139 4.039 4.170 0.013 0.000 0.290 801 I C 0.512 176.611 176.117 -0.031 0.000 1.203 801 I CA 0.331 61.620 61.300 -0.017 0.000 1.433 801 I CB 0.347 38.340 38.000 -0.011 0.000 1.354 801 I HN 0.443 nan 8.210 nan 0.000 0.579 802 D N 9.352 129.730 120.400 -0.036 0.000 2.412 802 D HA 0.273 4.921 4.640 0.013 0.000 0.224 802 D C -1.643 174.614 176.300 -0.072 0.000 1.093 802 D CA -2.149 51.820 54.000 -0.052 0.000 0.850 802 D CB 1.484 42.254 40.800 -0.049 0.000 1.046 802 D HN 0.238 nan 8.370 nan 0.000 0.507 803 P HA -0.094 nan 4.420 nan 0.000 0.230 803 P C 0.674 177.885 177.300 -0.149 0.000 1.158 803 P CA 0.571 63.614 63.100 -0.095 0.000 0.769 803 P CB 0.362 32.014 31.700 -0.079 0.000 0.807 804 N N -0.325 118.282 118.700 -0.156 0.000 2.299 804 N HA 0.057 4.805 4.740 0.013 0.000 0.187 804 N C 0.352 175.679 175.510 -0.305 0.000 1.099 804 N CA -0.148 52.766 53.050 -0.226 0.000 0.867 804 N CB 0.221 38.600 38.487 -0.180 0.000 0.974 804 N HN -0.031 nan 8.380 nan 0.000 0.477 805 A N 0.244 122.929 122.820 -0.225 0.000 2.425 805 A HA 0.049 4.377 4.320 0.013 0.000 0.242 805 A C 0.667 178.045 177.584 -0.344 0.000 1.077 805 A CA -0.346 51.561 52.037 -0.215 0.000 0.781 805 A CB -0.096 18.848 19.000 -0.092 0.000 1.020 805 A HN 0.438 nan 8.150 nan 0.000 0.494 806 W N 1.429 122.484 121.300 -0.407 0.000 2.335 806 W HA -0.162 4.505 4.660 0.013 0.000 0.311 806 W C 2.234 178.172 176.519 -0.968 0.000 1.213 806 W CA 1.739 58.581 57.345 -0.838 0.000 1.274 806 W CB -0.350 28.485 29.460 -1.041 0.000 1.148 806 W HN 0.550 nan 8.180 nan 0.000 0.498 807 V N 0.747 120.533 119.914 -0.215 0.000 2.332 807 V HA -0.275 3.853 4.120 0.013 0.000 0.248 807 V C 2.214 178.376 176.094 0.114 0.000 1.055 807 V CA 2.149 64.524 62.300 0.126 0.000 1.038 807 V CB -0.354 31.589 31.823 0.201 0.000 0.651 807 V HN 0.046 nan 8.190 nan 0.000 0.450 808 E N 0.012 120.192 120.200 -0.032 0.000 2.072 808 E HA -0.154 4.204 4.350 0.013 0.000 0.191 808 E C 2.385 178.950 176.600 -0.059 0.000 0.985 808 E CA 1.154 57.536 56.400 -0.030 0.000 0.801 808 E CB -0.370 29.289 29.700 -0.068 0.000 0.750 808 E HN 0.604 nan 8.360 nan 0.000 0.452 809 R N -0.252 120.133 120.500 -0.192 0.000 2.073 809 R HA -0.132 4.216 4.340 0.013 0.000 0.234 809 R C 2.302 178.527 176.300 -0.126 0.000 1.134 809 R CA 1.298 57.254 56.100 -0.240 0.000 0.952 809 R CB -0.345 29.675 30.300 -0.467 0.000 0.850 809 R HN 0.286 nan 8.270 nan 0.000 0.433 810 W N 1.556 122.828 121.300 -0.046 0.000 2.358 810 W HA -0.081 4.587 4.660 0.013 0.000 0.303 810 W C 2.058 178.523 176.519 -0.090 0.000 1.208 810 W CA 0.604 57.810 57.345 -0.231 0.000 1.274 810 W CB -0.663 28.814 29.460 0.027 0.000 1.138 810 W HN 0.129 nan 8.180 nan 0.000 0.515 811 K N 0.212 120.814 120.400 0.337 0.000 2.002 811 K HA -0.112 4.216 4.320 0.013 0.000 0.209 811 K C 2.305 178.958 176.600 0.088 0.000 1.048 811 K CA 1.992 58.439 56.287 0.266 0.000 0.930 811 K CB -0.687 31.924 32.500 0.186 0.000 0.714 811 K HN -0.030 nan 8.250 nan 0.000 0.438 812 A N 0.971 123.815 122.820 0.041 0.000 2.024 812 A HA -0.109 4.219 4.320 0.013 0.000 0.220 812 A C 2.132 179.709 177.584 -0.011 0.000 1.164 812 A CA 1.852 53.897 52.037 0.014 0.000 0.643 812 A CB -0.563 18.433 19.000 -0.006 0.000 0.806 812 A HN 0.360 nan 8.150 nan 0.000 0.451 813 A N -2.102 120.680 122.820 -0.064 0.000 2.251 813 A HA 0.421 4.748 4.320 0.013 0.000 0.209 813 A C 1.781 179.290 177.584 -0.125 0.000 1.187 813 A CA 1.163 53.167 52.037 -0.054 0.000 0.823 813 A CB -0.780 18.149 19.000 -0.118 0.000 0.846 813 A HN 1.838 nan 8.150 nan 0.000 0.486 814 G N -1.405 107.203 108.800 -0.320 0.000 2.175 814 G HA2 -0.317 3.651 3.960 0.013 0.000 0.244 814 G HA3 -0.317 3.651 3.960 0.013 0.000 0.244 814 G C 0.664 175.510 174.900 -0.090 0.000 0.982 814 G CA 0.677 45.311 45.100 -0.777 0.000 0.641 814 G HN 0.741 nan 8.290 nan 0.000 0.527 815 H N -1.259 117.772 119.070 -0.065 0.000 2.352 815 H HA -0.112 4.452 4.556 0.013 0.000 0.299 815 H C 2.275 177.560 175.328 -0.072 0.000 1.097 815 H CA 1.642 57.673 56.048 -0.028 0.000 1.311 815 H CB -0.015 29.686 29.762 -0.101 0.000 1.377 815 H HN 0.578 nan 8.280 nan 0.000 0.504 816 Y N 0.497 120.918 120.300 0.202 0.000 2.395 816 Y HA -0.105 4.453 4.550 0.013 0.000 0.293 816 Y C 2.329 178.314 175.900 0.142 0.000 1.123 816 Y CA 0.780 58.964 58.100 0.141 0.000 1.227 816 Y CB 0.261 38.786 38.460 0.108 0.000 1.012 816 Y HN 0.171 nan 8.280 nan 0.000 0.552 817 Q N -0.306 119.649 119.800 0.259 0.000 2.384 817 Q HA 0.271 4.619 4.340 0.013 0.000 0.207 817 Q C 0.651 176.836 176.000 0.309 0.000 0.904 817 Q CA -0.139 55.815 55.803 0.251 0.000 0.933 817 Q CB 0.419 29.296 28.738 0.233 0.000 1.077 817 Q HN 0.307 nan 8.270 nan 0.000 0.522 818 A N 1.471 124.494 122.820 0.339 0.000 2.531 818 A HA -0.001 4.327 4.320 0.013 0.000 0.236 818 A C -0.069 177.811 177.584 0.493 0.000 1.062 818 A CA 0.428 52.738 52.037 0.454 0.000 0.760 818 A CB 0.270 19.584 19.000 0.523 0.000 0.995 818 A HN 0.132 nan 8.150 nan 0.000 0.501 819 E N 0.608 121.013 120.200 0.343 0.000 2.183 819 E HA 0.464 4.821 4.350 0.013 0.000 0.271 819 E C -0.479 176.053 176.600 -0.113 0.000 0.919 819 E CA -0.545 55.960 56.400 0.175 0.000 0.781 819 E CB 2.009 31.789 29.700 0.134 0.000 1.140 819 E HN 0.713 nan 8.360 nan 0.000 0.402 820 A N 2.400 125.022 122.820 -0.330 0.000 2.539 820 A HA 0.444 4.772 4.320 0.013 0.000 0.306 820 A C 0.270 177.699 177.584 -0.258 0.000 1.392 820 A CA -0.241 51.358 52.037 -0.730 0.000 1.060 820 A CB -0.233 18.414 19.000 -0.587 0.000 1.134 820 A HN 0.553 nan 8.150 nan 0.000 0.542 821 A N 2.740 125.424 122.820 -0.225 0.000 2.409 821 A HA 0.499 4.827 4.320 0.013 0.000 0.262 821 A C 0.016 177.522 177.584 -0.130 0.000 1.113 821 A CA -0.407 51.565 52.037 -0.110 0.000 0.790 821 A CB 0.055 19.016 19.000 -0.066 0.000 1.046 821 A HN 1.149 nan 8.150 nan 0.000 0.496 822 L N 3.539 124.674 121.223 -0.148 0.000 2.369 822 L HA 0.272 4.620 4.340 0.013 0.000 0.279 822 L C 0.588 177.336 176.870 -0.203 0.000 1.108 822 L CA 0.371 55.040 54.840 -0.286 0.000 0.852 822 L CB 0.179 42.082 42.059 -0.259 0.000 1.169 822 L HN 0.764 nan 8.230 nan 0.000 0.452 823 L N 3.430 124.521 121.223 -0.220 0.000 2.408 823 L HA 0.294 4.642 4.340 0.013 0.000 0.215 823 L C 0.546 177.353 176.870 -0.105 0.000 1.081 823 L CA 0.123 54.894 54.840 -0.115 0.000 0.840 823 L CB 0.030 42.052 42.059 -0.062 0.000 1.002 823 L HN 0.690 nan 8.230 nan 0.000 0.468 824 Q N -0.405 119.304 119.800 -0.152 0.000 2.438 824 Q HA 0.276 4.624 4.340 0.013 0.000 0.272 824 Q C -2.149 173.795 176.000 -0.094 0.000 0.994 824 Q CA -0.429 55.322 55.803 -0.087 0.000 0.887 824 Q CB 3.003 31.715 28.738 -0.043 0.000 1.432 824 Q HN 0.065 nan 8.270 nan 0.000 0.392 825 C N 3.264 122.552 119.300 -0.021 0.000 2.789 825 C HA 0.773 5.241 4.460 0.013 0.000 0.367 825 C C -0.804 174.290 174.990 0.174 0.000 1.062 825 C CA 0.355 59.404 59.018 0.051 0.000 1.297 825 C CB 0.536 28.294 27.740 0.030 0.000 1.794 825 C HN 0.819 nan 8.230 nan 0.000 0.474 826 T N 2.336 116.948 114.554 0.097 0.000 2.906 826 T HA 0.896 5.254 4.350 0.013 0.000 0.295 826 T C -0.581 173.922 174.700 -0.329 0.000 1.075 826 T CA -0.376 61.731 62.100 0.012 0.000 1.005 826 T CB 1.944 70.794 68.868 -0.029 0.000 1.136 826 T HN 1.592 nan 8.240 nan 0.000 0.498 827 A N 1.592 123.991 122.820 -0.702 0.000 2.343 827 A HA 0.716 5.044 4.320 0.013 0.000 0.308 827 A C -1.137 176.172 177.584 -0.459 0.000 1.092 827 A CA -0.741 50.769 52.037 -0.878 0.000 0.751 827 A CB 1.039 18.941 19.000 -1.831 0.000 1.203 827 A HN 0.840 nan 8.150 nan 0.000 0.452 828 D N 1.522 121.737 120.400 -0.309 0.000 2.481 828 D HA 0.513 5.161 4.640 0.013 0.000 0.244 828 D C -0.635 175.577 176.300 -0.146 0.000 1.057 828 D CA 0.114 54.005 54.000 -0.183 0.000 0.848 828 D CB 2.250 42.975 40.800 -0.126 0.000 1.388 828 D HN 0.446 nan 8.370 nan 0.000 0.475 829 T N 1.827 116.323 114.554 -0.096 0.000 2.799 829 T HA 0.510 4.868 4.350 0.013 0.000 0.286 829 T C 0.654 175.326 174.700 -0.047 0.000 0.973 829 T CA -0.536 61.526 62.100 -0.064 0.000 1.035 829 T CB 1.077 69.931 68.868 -0.024 0.000 0.932 829 T HN 0.108 nan 8.240 nan 0.000 0.469 830 L N 1.210 122.405 121.223 -0.045 0.000 2.421 830 L HA 0.618 4.966 4.340 0.013 0.000 0.267 830 L C 1.963 178.820 176.870 -0.021 0.000 1.036 830 L CA -1.284 53.535 54.840 -0.034 0.000 0.829 830 L CB 0.408 42.444 42.059 -0.039 0.000 1.437 830 L HN 0.721 nan 8.230 nan 0.000 0.488 831 A N 0.302 123.113 122.820 -0.017 0.000 1.933 831 A HA -0.164 4.163 4.320 0.013 0.000 0.218 831 A C 1.000 178.577 177.584 -0.012 0.000 1.175 831 A CA 2.100 54.131 52.037 -0.010 0.000 0.628 831 A CB -0.509 18.486 19.000 -0.008 0.000 0.814 831 A HN 0.885 nan 8.150 nan 0.000 0.444 832 D N -2.968 117.420 120.400 -0.019 0.000 2.582 832 D HA 0.562 5.210 4.640 0.013 0.000 0.246 832 D C -0.012 176.266 176.300 -0.037 0.000 1.334 832 D CA 0.591 54.578 54.000 -0.022 0.000 0.805 832 D CB -0.288 40.502 40.800 -0.016 0.000 1.087 832 D HN 0.497 nan 8.370 nan 0.000 0.499 833 A N -0.642 122.150 122.820 -0.047 0.000 2.564 833 A HA 0.653 4.981 4.320 0.013 0.000 0.291 833 A C -1.755 175.780 177.584 -0.081 0.000 1.102 833 A CA -0.733 51.261 52.037 -0.072 0.000 0.660 833 A CB 1.334 20.294 19.000 -0.067 0.000 1.283 833 A HN 0.039 nan 8.150 nan 0.000 0.430 834 V N 0.712 120.558 119.914 -0.114 0.000 2.417 834 V HA 0.589 4.717 4.120 0.013 0.000 0.291 834 V C -0.917 175.084 176.094 -0.156 0.000 1.024 834 V CA -0.389 61.830 62.300 -0.136 0.000 0.861 834 V CB 1.234 32.973 31.823 -0.139 0.000 0.985 834 V HN 0.784 nan 8.190 nan 0.000 0.436 835 L N 6.767 127.892 121.223 -0.164 0.000 2.298 835 L HA 0.622 4.969 4.340 0.013 0.000 0.284 835 L C -0.727 176.005 176.870 -0.230 0.000 1.013 835 L CA 0.053 54.802 54.840 -0.152 0.000 0.824 835 L CB 1.065 43.062 42.059 -0.102 0.000 1.221 835 L HN 0.407 nan 8.230 nan 0.000 0.418 836 I N 4.168 124.594 120.570 -0.239 0.000 2.377 836 I HA 0.418 4.595 4.170 0.013 0.000 0.293 836 I C -0.008 176.063 176.117 -0.076 0.000 0.987 836 I CA -0.238 60.864 61.300 -0.329 0.000 1.185 836 I CB 1.651 39.202 38.000 -0.749 0.000 1.341 836 I HN 0.542 nan 8.210 nan 0.000 0.455 837 T N 4.735 119.251 114.554 -0.065 0.000 2.807 837 T HA 0.645 5.003 4.350 0.013 0.000 0.279 837 T C 0.164 174.904 174.700 0.067 0.000 0.993 837 T CA -0.540 61.579 62.100 0.032 0.000 0.970 837 T CB 1.813 70.681 68.868 -0.001 0.000 0.950 837 T HN 0.778 nan 8.240 nan 0.000 0.441 838 T N -0.679 113.955 114.554 0.134 0.000 2.896 838 T HA 0.856 5.214 4.350 0.013 0.000 0.297 838 T C -1.306 173.451 174.700 0.096 0.000 1.108 838 T CA -1.039 61.120 62.100 0.100 0.000 1.004 838 T CB 1.985 70.968 68.868 0.193 0.000 1.159 838 T HN 0.805 nan 8.240 nan 0.000 0.499 839 A N 1.672 124.468 122.820 -0.040 0.000 2.437 839 A HA 0.761 5.089 4.320 0.013 0.000 0.293 839 A C -1.433 176.045 177.584 -0.177 0.000 1.038 839 A CA -0.759 51.289 52.037 0.018 0.000 0.708 839 A CB 0.850 19.866 19.000 0.027 0.000 1.251 839 A HN 1.008 nan 8.150 nan 0.000 0.409 840 H N 0.173 119.298 119.070 0.092 0.000 2.821 840 H HA 0.781 5.345 4.556 0.013 0.000 0.373 840 H C -0.087 175.289 175.328 0.081 0.000 1.165 840 H CA 0.210 56.237 56.048 -0.036 0.000 1.154 840 H CB 2.169 31.813 29.762 -0.196 0.000 1.765 840 H HN 0.976 nan 8.280 nan 0.000 0.549 841 A N 2.000 124.868 122.820 0.079 0.000 2.330 841 A HA 0.389 4.717 4.320 0.013 0.000 0.313 841 A C -1.305 176.330 177.584 0.085 0.000 1.124 841 A CA -0.682 51.463 52.037 0.180 0.000 0.774 841 A CB 0.968 20.024 19.000 0.094 0.000 1.198 841 A HN 0.584 nan 8.150 nan 0.000 0.465 842 W N 2.162 123.579 121.300 0.194 0.000 2.391 842 W HA 0.434 5.102 4.660 0.013 0.000 0.311 842 W C -0.218 176.341 176.519 0.065 0.000 1.087 842 W CA -0.097 57.363 57.345 0.193 0.000 1.209 842 W CB 1.681 31.316 29.460 0.291 0.000 1.273 842 W HN 0.774 nan 8.180 nan 0.000 0.482 843 Q N 1.206 121.164 119.800 0.263 0.000 2.587 843 Q HA 0.432 4.780 4.340 0.013 0.000 0.293 843 Q C -1.045 175.107 176.000 0.252 0.000 1.083 843 Q CA -0.933 54.977 55.803 0.179 0.000 0.792 843 Q CB 3.607 32.405 28.738 0.099 0.000 1.484 843 Q HN 0.400 nan 8.270 nan 0.000 0.446 844 H N 1.243 120.357 119.070 0.073 0.000 3.096 844 H HA 0.053 4.617 4.556 0.013 0.000 0.335 844 H C -0.873 174.491 175.328 0.060 0.000 0.990 844 H CA -0.169 55.929 56.048 0.084 0.000 1.393 844 H CB 1.043 30.865 29.762 0.099 0.000 1.742 844 H HN 0.634 nan 8.280 nan 0.000 0.501 845 Q N 3.181 122.677 119.800 -0.507 0.000 2.453 845 Q HA -0.206 4.142 4.340 0.013 0.000 0.294 845 Q C 1.138 177.073 176.000 -0.108 0.000 1.295 845 Q CA 1.529 57.148 55.803 -0.307 0.000 0.853 845 Q CB -2.070 26.485 28.738 -0.305 0.000 1.193 845 Q HN 1.195 nan 8.270 nan 0.000 0.461 846 G N -1.296 107.471 108.800 -0.056 0.000 2.284 846 G HA2 -0.374 3.594 3.960 0.013 0.000 0.230 846 G HA3 -0.374 3.594 3.960 0.013 0.000 0.230 846 G C 0.112 175.016 174.900 0.007 0.000 1.021 846 G CA 0.453 45.543 45.100 -0.017 0.000 0.619 846 G HN 0.560 nan 8.290 nan 0.000 0.510 847 K N 1.877 122.291 120.400 0.022 0.000 2.183 847 K HA 0.659 4.987 4.320 0.013 0.000 0.274 847 K C -0.164 176.460 176.600 0.041 0.000 1.009 847 K CA 0.001 56.310 56.287 0.037 0.000 0.888 847 K CB 1.097 33.627 32.500 0.051 0.000 1.078 847 K HN 0.021 nan 8.250 nan 0.000 0.459 848 T N 6.128 120.696 114.554 0.024 0.000 2.729 848 T HA 0.231 4.589 4.350 0.013 0.000 0.296 848 T C 0.984 175.647 174.700 -0.062 0.000 0.928 848 T CA -0.448 61.665 62.100 0.021 0.000 1.045 848 T CB 0.341 69.236 68.868 0.045 0.000 0.902 848 T HN 0.563 nan 8.240 nan 0.000 0.500 849 L N 2.505 123.617 121.223 -0.185 0.000 2.130 849 L HA 0.357 4.705 4.340 0.013 0.000 0.200 849 L C -0.023 176.424 176.870 -0.704 0.000 1.075 849 L CA 0.914 55.391 54.840 -0.605 0.000 0.768 849 L CB 0.078 41.426 42.059 -1.185 0.000 0.933 849 L HN 0.526 nan 8.230 nan 0.000 0.451 850 F N -1.031 118.890 119.950 -0.049 0.000 2.588 850 F HA 0.544 5.079 4.527 0.013 0.000 0.310 850 F C -0.474 175.409 175.800 0.137 0.000 1.082 850 F CA -0.788 57.103 58.000 -0.181 0.000 0.929 850 F CB 2.118 40.608 39.000 -0.850 0.000 1.254 850 F HN -0.296 nan 8.300 nan 0.000 0.455 851 I N 1.485 122.258 120.570 0.339 0.000 2.465 851 I HA 0.373 4.551 4.170 0.013 0.000 0.291 851 I C -0.673 175.700 176.117 0.426 0.000 1.014 851 I CA -0.534 61.008 61.300 0.402 0.000 1.093 851 I CB 2.192 40.344 38.000 0.254 0.000 1.267 851 I HN 0.509 nan 8.210 nan 0.000 0.431 852 S N 6.500 122.560 115.700 0.601 0.000 2.478 852 S HA 0.584 5.062 4.470 0.013 0.000 0.312 852 S C -0.671 174.176 174.600 0.411 0.000 1.094 852 S CA -0.677 57.843 58.200 0.533 0.000 1.081 852 S CB 0.660 64.311 63.200 0.752 0.000 1.007 852 S HN 0.536 nan 8.310 nan 0.000 0.475 853 R N 3.452 124.119 120.500 0.277 0.000 2.437 853 R HA 0.562 4.910 4.340 0.013 0.000 0.310 853 R C -0.730 175.659 176.300 0.149 0.000 0.955 853 R CA -0.755 55.467 56.100 0.203 0.000 0.851 853 R CB 1.831 32.220 30.300 0.148 0.000 1.161 853 R HN 0.559 nan 8.270 nan 0.000 0.446 854 K N 0.719 121.203 120.400 0.141 0.000 2.480 854 K HA 0.499 4.827 4.320 0.013 0.000 0.258 854 K C -0.851 175.760 176.600 0.018 0.000 0.990 854 K CA -0.915 55.387 56.287 0.025 0.000 0.857 854 K CB 2.588 35.078 32.500 -0.017 0.000 1.384 854 K HN 0.634 nan 8.250 nan 0.000 0.446 855 T N -1.397 113.095 114.554 -0.105 0.000 2.916 855 T HA 0.548 4.905 4.350 0.013 0.000 0.298 855 T C -1.356 173.249 174.700 -0.160 0.000 1.031 855 T CA -0.782 61.298 62.100 -0.034 0.000 0.993 855 T CB 0.498 69.364 68.868 -0.004 0.000 1.045 855 T HN 0.387 nan 8.240 nan 0.000 0.454 856 Y N 0.933 121.226 120.300 -0.012 0.000 2.331 856 Y HA 0.633 5.191 4.550 0.013 0.000 0.334 856 Y C 0.427 176.282 175.900 -0.074 0.000 0.960 856 Y CA -1.131 56.978 58.100 0.015 0.000 1.130 856 Y CB 1.866 40.382 38.460 0.093 0.000 1.164 856 Y HN 0.666 nan 8.280 nan 0.000 0.458 857 R N 4.531 125.076 120.500 0.075 0.000 2.337 857 R HA 0.551 4.899 4.340 0.013 0.000 0.319 857 R C -1.544 174.716 176.300 -0.067 0.000 0.954 857 R CA -0.405 55.686 56.100 -0.015 0.000 0.840 857 R CB 0.631 30.924 30.300 -0.011 0.000 1.164 857 R HN 0.673 nan 8.270 nan 0.000 0.472 858 I N 5.204 125.673 120.570 -0.169 0.000 2.321 858 I HA 0.156 4.333 4.170 0.013 0.000 0.291 858 I C -0.040 175.953 176.117 -0.206 0.000 0.998 858 I CA -0.514 60.600 61.300 -0.310 0.000 1.227 858 I CB 1.322 38.927 38.000 -0.657 0.000 1.368 858 I HN 0.737 nan 8.210 nan 0.000 0.466 859 D N 4.238 124.561 120.400 -0.128 0.000 2.569 859 D HA 0.263 4.911 4.640 0.013 0.000 0.266 859 D C 1.216 177.500 176.300 -0.027 0.000 1.164 859 D CA -0.637 53.326 54.000 -0.061 0.000 1.071 859 D CB 0.788 41.579 40.800 -0.014 0.000 1.183 859 D HN 0.499 nan 8.370 nan 0.000 0.613 860 G N -1.261 107.546 108.800 0.011 0.000 2.535 860 G HA2 -0.179 3.789 3.960 0.013 0.000 0.218 860 G HA3 -0.179 3.789 3.960 0.013 0.000 0.218 860 G C 1.152 176.124 174.900 0.120 0.000 1.122 860 G CA 0.943 46.077 45.100 0.056 0.000 0.769 860 G HN 0.490 nan 8.290 nan 0.000 0.549 861 S N -0.639 115.130 115.700 0.115 0.000 2.575 861 S HA 0.362 4.840 4.470 0.013 0.000 0.215 861 S C 1.869 176.543 174.600 0.122 0.000 0.966 861 S CA 1.014 59.300 58.200 0.143 0.000 0.911 861 S CB -0.196 63.098 63.200 0.157 0.000 0.780 861 S HN 1.384 nan 8.310 nan 0.000 0.514 862 G N 0.660 109.542 108.800 0.137 0.000 2.175 862 G HA2 -0.200 3.768 3.960 0.013 0.000 0.244 862 G HA3 -0.200 3.768 3.960 0.013 0.000 0.244 862 G C -0.193 174.870 174.900 0.273 0.000 0.982 862 G CA 0.177 45.438 45.100 0.268 0.000 0.641 862 G HN 0.616 nan 8.290 nan 0.000 0.527 863 Q N -0.243 119.644 119.800 0.145 0.000 2.230 863 Q HA 0.642 4.990 4.340 0.013 0.000 0.248 863 Q C 0.044 176.086 176.000 0.071 0.000 0.915 863 Q CA -0.330 55.560 55.803 0.145 0.000 0.900 863 Q CB 1.809 30.619 28.738 0.119 0.000 1.229 863 Q HN 0.453 nan 8.270 nan 0.000 0.439 864 M N 1.730 121.416 119.600 0.143 0.000 2.078 864 M HA 0.493 4.981 4.480 0.013 0.000 0.320 864 M C -1.471 174.939 176.300 0.183 0.000 0.969 864 M CA -0.497 54.864 55.300 0.100 0.000 0.929 864 M CB 1.215 33.895 32.600 0.134 0.000 1.504 864 M HN 0.728 nan 8.290 nan 0.000 0.419 865 A N 6.948 129.839 122.820 0.118 0.000 2.276 865 A HA 0.676 5.004 4.320 0.013 0.000 0.300 865 A C -0.717 176.915 177.584 0.081 0.000 1.235 865 A CA -0.594 51.511 52.037 0.114 0.000 0.867 865 A CB 0.052 19.097 19.000 0.076 0.000 1.137 865 A HN 0.921 nan 8.150 nan 0.000 0.527 866 I N 2.101 122.709 120.570 0.063 0.000 2.377 866 I HA 0.392 4.570 4.170 0.013 0.000 0.293 866 I C -0.139 175.887 176.117 -0.151 0.000 0.987 866 I CA -0.296 60.941 61.300 -0.105 0.000 1.185 866 I CB 2.158 40.090 38.000 -0.113 0.000 1.341 866 I HN 0.479 nan 8.210 nan 0.000 0.455 867 T N 5.416 119.840 114.554 -0.216 0.000 2.792 867 T HA 0.571 4.929 4.350 0.013 0.000 0.280 867 T C -0.389 174.138 174.700 -0.288 0.000 0.990 867 T CA -0.508 61.474 62.100 -0.198 0.000 0.960 867 T CB 1.884 70.736 68.868 -0.027 0.000 0.939 867 T HN 0.243 nan 8.240 nan 0.000 0.439 868 V N 3.422 123.040 119.914 -0.494 0.000 2.588 868 V HA 0.492 4.620 4.120 0.013 0.000 0.304 868 V C -0.839 175.103 176.094 -0.253 0.000 1.042 868 V CA -0.922 61.102 62.300 -0.459 0.000 0.877 868 V CB 2.103 33.320 31.823 -1.010 0.000 0.996 868 V HN 0.857 nan 8.190 nan 0.000 0.425 869 D N 3.465 123.881 120.400 0.027 0.000 2.505 869 D HA 0.526 5.174 4.640 0.013 0.000 0.250 869 D C -1.003 175.427 176.300 0.217 0.000 1.164 869 D CA -0.095 54.015 54.000 0.183 0.000 0.870 869 D CB 2.713 43.638 40.800 0.208 0.000 1.160 869 D HN 0.252 nan 8.370 nan 0.000 0.549 870 V N 2.218 122.297 119.914 0.275 0.000 2.628 870 V HA 0.303 4.431 4.120 0.013 0.000 0.306 870 V C 0.007 176.241 176.094 0.233 0.000 1.045 870 V CA -0.744 61.724 62.300 0.280 0.000 0.905 870 V CB 2.542 34.567 31.823 0.337 0.000 0.997 870 V HN 0.356 nan 8.190 nan 0.000 0.436 871 E N 2.362 122.683 120.200 0.202 0.000 2.171 871 E HA 0.613 4.971 4.350 0.013 0.000 0.271 871 E C -1.476 175.229 176.600 0.176 0.000 0.916 871 E CA -0.570 55.929 56.400 0.164 0.000 0.774 871 E CB 2.473 32.256 29.700 0.138 0.000 1.128 871 E HN 0.403 nan 8.360 nan 0.000 0.403 872 V N 2.324 122.349 119.914 0.185 0.000 2.409 872 V HA 0.371 4.499 4.120 0.013 0.000 0.291 872 V C 0.147 176.335 176.094 0.158 0.000 1.020 872 V CA -0.944 61.493 62.300 0.227 0.000 0.848 872 V CB 1.460 33.455 31.823 0.287 0.000 0.990 872 V HN 0.852 nan 8.190 nan 0.000 0.430 873 A N 3.650 126.521 122.820 0.085 0.000 2.567 873 A HA 0.208 4.535 4.320 0.013 0.000 0.240 873 A C 1.628 179.283 177.584 0.118 0.000 1.053 873 A CA 0.684 52.759 52.037 0.064 0.000 0.755 873 A CB 0.175 19.178 19.000 0.004 0.000 0.978 873 A HN 1.362 nan 8.150 nan 0.000 0.507 874 S N 1.188 116.953 115.700 0.110 0.000 2.447 874 S HA -0.150 4.328 4.470 0.013 0.000 0.233 874 S C 0.887 175.565 174.600 0.130 0.000 1.006 874 S CA 1.262 59.545 58.200 0.139 0.000 0.957 874 S CB -0.266 62.995 63.200 0.101 0.000 0.773 874 S HN 0.835 nan 8.310 nan 0.000 0.507 875 D N 0.266 120.717 120.400 0.085 0.000 2.349 875 D HA 0.144 4.792 4.640 0.013 0.000 0.214 875 D C 0.561 176.891 176.300 0.051 0.000 1.063 875 D CA 0.040 54.073 54.000 0.055 0.000 0.847 875 D CB -0.413 40.408 40.800 0.034 0.000 0.933 875 D HN 0.308 nan 8.370 nan 0.000 0.513 876 T N 1.116 115.723 114.554 0.089 0.000 2.922 876 T HA 0.412 4.770 4.350 0.013 0.000 0.285 876 T C -2.615 172.185 174.700 0.166 0.000 1.005 876 T CA -2.006 60.169 62.100 0.126 0.000 1.061 876 T CB 1.070 70.025 68.868 0.145 0.000 1.007 876 T HN -0.181 nan 8.240 nan 0.000 0.502 877 P HA 0.086 nan 4.420 nan 0.000 0.265 877 P C -0.613 176.998 177.300 0.518 0.000 1.193 877 P CA 0.142 63.347 63.100 0.174 0.000 0.765 877 P CB -0.141 31.657 31.700 0.164 0.000 0.823 878 H N 4.014 123.460 119.070 0.628 0.000 3.125 878 H HA 0.026 4.590 4.556 0.013 0.000 0.310 878 H C -1.539 174.148 175.328 0.598 0.000 0.980 878 H CA -1.171 55.186 56.048 0.516 0.000 1.422 878 H CB -0.455 29.550 29.762 0.406 0.000 1.432 878 H HN 0.388 nan 8.280 nan 0.000 0.577 879 P HA -0.012 nan 4.420 nan 0.000 0.272 879 P C 0.192 177.389 177.300 -0.173 0.000 1.223 879 P CA -0.242 62.932 63.100 0.124 0.000 0.784 879 P CB 1.047 32.651 31.700 -0.160 0.000 0.923 880 A N 3.347 125.771 122.820 -0.660 0.000 2.019 880 A HA -0.109 4.219 4.320 0.013 0.000 0.219 880 A C 1.050 178.241 177.584 -0.655 0.000 1.164 880 A CA 1.319 52.938 52.037 -0.697 0.000 0.644 880 A CB -0.552 17.814 19.000 -1.058 0.000 0.805 880 A HN 0.759 nan 8.150 nan 0.000 0.449 881 R N -2.893 117.258 120.500 -0.582 0.000 2.728 881 R HA 0.721 5.069 4.340 0.013 0.000 0.274 881 R C -1.598 174.451 176.300 -0.419 0.000 1.030 881 R CA -0.837 54.941 56.100 -0.537 0.000 0.876 881 R CB 0.824 30.770 30.300 -0.590 0.000 1.259 881 R HN -0.016 nan 8.270 nan 0.000 0.468 882 I N 1.194 121.552 120.570 -0.353 0.000 2.521 882 I HA 0.608 4.786 4.170 0.013 0.000 0.277 882 I C -0.472 175.406 176.117 -0.398 0.000 1.054 882 I CA -0.392 60.733 61.300 -0.291 0.000 1.117 882 I CB 1.671 39.579 38.000 -0.153 0.000 1.217 882 I HN 0.965 nan 8.210 nan 0.000 0.469 883 G N 5.884 114.382 108.800 -0.503 0.000 2.731 883 G HA2 0.769 4.736 3.960 0.013 0.000 0.309 883 G HA3 0.769 4.736 3.960 0.013 0.000 0.309 883 G C -1.605 173.115 174.900 -0.301 0.000 1.273 883 G CA -0.558 44.288 45.100 -0.423 0.000 0.798 883 G HN 0.261 nan 8.290 nan 0.000 0.509 884 L N 0.787 121.885 121.223 -0.208 0.000 2.333 884 L HA 0.660 5.008 4.340 0.013 0.000 0.263 884 L C -0.750 176.005 176.870 -0.191 0.000 1.014 884 L CA -1.145 53.604 54.840 -0.152 0.000 0.820 884 L CB 2.468 44.516 42.059 -0.018 0.000 1.352 884 L HN 0.789 nan 8.230 nan 0.000 0.421 885 N N 0.597 119.214 118.700 -0.139 0.000 2.494 885 N HA 0.701 5.449 4.740 0.013 0.000 0.270 885 N C -1.288 174.210 175.510 -0.019 0.000 1.285 885 N CA -0.525 52.472 53.050 -0.087 0.000 0.812 885 N CB 2.394 40.854 38.487 -0.045 0.000 1.557 885 N HN 0.875 nan 8.380 nan 0.000 0.487 886 C N -1.176 118.120 119.300 -0.007 0.000 3.292 886 C HA 0.572 5.040 4.460 0.013 0.000 0.338 886 C C -1.210 173.581 174.990 -0.330 0.000 1.323 886 C CA -0.846 58.118 59.018 -0.089 0.000 1.232 886 C CB 1.010 28.731 27.740 -0.032 0.000 1.517 886 C HN 0.862 nan 8.230 nan 0.000 0.470 887 Q N 1.334 120.721 119.800 -0.688 0.000 2.372 887 Q HA 0.651 4.999 4.340 0.013 0.000 0.259 887 Q C -1.004 174.718 176.000 -0.465 0.000 0.993 887 Q CA -0.447 54.746 55.803 -1.016 0.000 0.854 887 Q CB 0.885 28.605 28.738 -1.696 0.000 1.231 887 Q HN 0.763 nan 8.270 nan 0.000 0.462 888 L N 2.926 123.976 121.223 -0.289 0.000 2.397 888 L HA 0.230 4.577 4.340 0.013 0.000 0.271 888 L C 1.283 178.097 176.870 -0.093 0.000 1.148 888 L CA -0.235 54.559 54.840 -0.075 0.000 0.825 888 L CB 0.783 42.916 42.059 0.123 0.000 1.117 888 L HN 0.831 nan 8.230 nan 0.000 0.456 889 A N 2.445 125.231 122.820 -0.057 0.000 1.933 889 A HA -0.158 4.170 4.320 0.013 0.000 0.218 889 A C 1.216 178.791 177.584 -0.015 0.000 1.175 889 A CA 0.777 52.775 52.037 -0.065 0.000 0.628 889 A CB -0.338 18.621 19.000 -0.070 0.000 0.814 889 A HN 0.809 nan 8.150 nan 0.000 0.444 890 Q N -0.096 119.735 119.800 0.051 0.000 2.395 890 Q HA 0.366 4.714 4.340 0.013 0.000 0.271 890 Q C -1.086 174.975 176.000 0.100 0.000 1.026 890 Q CA 0.509 56.343 55.803 0.052 0.000 0.900 890 Q CB 0.677 29.478 28.738 0.106 0.000 1.266 890 Q HN 0.169 nan 8.270 nan 0.000 0.430 891 V N 3.387 123.316 119.914 0.025 0.000 2.447 891 V HA 0.791 4.918 4.120 0.013 0.000 0.292 891 V C -0.712 175.354 176.094 -0.047 0.000 1.021 891 V CA -0.239 62.103 62.300 0.070 0.000 0.850 891 V CB 1.011 32.853 31.823 0.032 0.000 1.005 891 V HN 0.902 nan 8.190 nan 0.000 0.426 892 A N 2.941 125.702 122.820 -0.098 0.000 2.384 892 A HA 0.774 5.102 4.320 0.013 0.000 0.312 892 A C 0.825 178.423 177.584 0.023 0.000 1.113 892 A CA -0.167 51.740 52.037 -0.216 0.000 0.779 892 A CB 1.706 20.313 19.000 -0.654 0.000 1.307 892 A HN 0.901 nan 8.150 nan 0.000 0.436 893 E N 0.592 120.796 120.200 0.006 0.000 2.047 893 E HA -0.085 4.273 4.350 0.013 0.000 0.191 893 E C 0.415 177.085 176.600 0.116 0.000 0.987 893 E CA 0.982 57.416 56.400 0.057 0.000 0.799 893 E CB 0.090 29.807 29.700 0.029 0.000 0.752 893 E HN 0.530 nan 8.360 nan 0.000 0.449 894 R N 0.106 120.681 120.500 0.126 0.000 2.787 894 R HA 0.516 4.864 4.340 0.013 0.000 0.271 894 R C -1.045 175.430 176.300 0.292 0.000 0.993 894 R CA -0.998 55.209 56.100 0.178 0.000 0.993 894 R CB 1.906 32.285 30.300 0.131 0.000 1.155 894 R HN -0.019 nan 8.270 nan 0.000 0.486 895 V N 2.254 122.350 119.914 0.304 0.000 2.443 895 V HA 0.317 4.445 4.120 0.013 0.000 0.293 895 V C -0.324 176.044 176.094 0.456 0.000 1.021 895 V CA -0.920 61.591 62.300 0.352 0.000 0.848 895 V CB 1.661 33.618 31.823 0.224 0.000 0.998 895 V HN 0.656 nan 8.190 nan 0.000 0.424 896 N N 4.863 123.806 118.700 0.405 0.000 2.314 896 N HA 0.545 5.293 4.740 0.013 0.000 0.294 896 N C -1.320 174.452 175.510 0.437 0.000 1.029 896 N CA -0.436 52.831 53.050 0.362 0.000 0.845 896 N CB 2.682 41.268 38.487 0.166 0.000 1.321 896 N HN 0.798 nan 8.380 nan 0.000 0.481 897 W N 3.222 124.556 121.300 0.058 0.000 3.167 897 W HA 0.573 5.240 4.660 0.013 0.000 0.324 897 W C -2.062 174.421 176.519 -0.060 0.000 1.230 897 W CA -1.134 56.225 57.345 0.023 0.000 1.184 897 W CB 0.707 30.220 29.460 0.088 0.000 1.414 897 W HN 0.228 nan 8.180 nan 0.000 0.551 898 L N 4.365 125.531 121.223 -0.095 0.000 2.277 898 L HA 0.913 5.261 4.340 0.013 0.000 0.284 898 L C 0.015 176.646 176.870 -0.398 0.000 1.028 898 L CA 0.370 54.966 54.840 -0.407 0.000 0.835 898 L CB 0.544 42.478 42.059 -0.208 0.000 1.215 898 L HN 1.005 nan 8.230 nan 0.000 0.425 899 G N 3.724 112.114 108.800 -0.684 0.000 2.335 899 G HA2 0.196 4.164 3.960 0.013 0.000 0.291 899 G HA3 0.196 4.164 3.960 0.013 0.000 0.291 899 G C -1.648 173.211 174.900 -0.069 0.000 1.261 899 G CA -1.053 43.895 45.100 -0.252 0.000 0.871 899 G HN 0.427 nan 8.290 nan 0.000 0.491 900 L N 1.142 122.497 121.223 0.219 0.000 2.367 900 L HA 0.600 4.948 4.340 0.013 0.000 0.275 900 L C 1.067 178.037 176.870 0.167 0.000 1.129 900 L CA 0.756 55.705 54.840 0.182 0.000 0.839 900 L CB 0.616 42.740 42.059 0.109 0.000 1.133 900 L HN 1.134 nan 8.230 nan 0.000 0.453 901 G N 3.054 111.731 108.800 -0.205 0.000 2.490 901 G HA2 0.307 4.275 3.960 0.013 0.000 0.308 901 G HA3 0.307 4.275 3.960 0.013 0.000 0.308 901 G C -2.758 171.341 174.900 -1.335 0.000 1.286 901 G CA -0.297 44.338 45.100 -0.775 0.000 0.825 901 G HN 0.303 nan 8.290 nan 0.000 0.479 902 P HA 0.107 nan 4.420 nan 0.000 0.239 902 P C 0.438 177.549 177.300 -0.315 0.000 1.188 902 P CA 0.522 62.988 63.100 -1.056 0.000 0.794 902 P CB 0.549 31.767 31.700 -0.804 0.000 0.937 903 Q N 0.436 120.041 119.800 -0.324 0.000 2.318 903 Q HA 0.169 4.516 4.340 0.013 0.000 0.222 903 Q C 0.360 176.245 176.000 -0.192 0.000 1.003 903 Q CA -0.662 55.023 55.803 -0.198 0.000 0.936 903 Q CB 0.713 29.359 28.738 -0.155 0.000 1.204 903 Q HN 0.103 nan 8.270 nan 0.000 0.524 904 E N 1.177 121.271 120.200 -0.178 0.000 2.502 904 E HA -0.111 4.247 4.350 0.013 0.000 0.261 904 E C -1.147 175.367 176.600 -0.143 0.000 0.974 904 E CA 0.332 56.614 56.400 -0.196 0.000 0.936 904 E CB 0.246 29.892 29.700 -0.090 0.000 0.926 904 E HN 0.599 nan 8.360 nan 0.000 0.459 905 N N 2.562 121.101 118.700 -0.269 0.000 2.367 905 N HA 0.334 5.082 4.740 0.013 0.000 0.278 905 N C -1.832 173.452 175.510 -0.376 0.000 1.117 905 N CA -0.698 52.246 53.050 -0.176 0.000 0.867 905 N CB 0.756 39.160 38.487 -0.137 0.000 1.649 905 N HN 0.238 nan 8.380 nan 0.000 0.479 906 Y N -0.075 120.139 120.300 -0.142 0.000 2.633 906 Y HA 0.503 5.061 4.550 0.013 0.000 0.339 906 Y C -1.653 174.185 175.900 -0.104 0.000 1.045 906 Y CA -2.023 55.983 58.100 -0.158 0.000 1.098 906 Y CB 1.891 40.250 38.460 -0.167 0.000 1.296 906 Y HN 0.436 nan 8.280 nan 0.000 0.494 907 P HA -0.201 nan 4.420 nan 0.000 0.216 907 P C 0.376 177.602 177.300 -0.124 0.000 1.157 907 P CA 2.258 65.430 63.100 0.121 0.000 0.880 907 P CB 0.179 32.071 31.700 0.320 0.000 0.791 908 D N -2.433 117.632 120.400 -0.559 0.000 2.342 908 D HA 0.008 4.655 4.640 0.013 0.000 0.221 908 D C 0.727 176.864 176.300 -0.272 0.000 1.101 908 D CA 0.092 53.525 54.000 -0.946 0.000 0.837 908 D CB -0.277 39.721 40.800 -1.338 0.000 0.938 908 D HN 0.136 nan 8.370 nan 0.000 0.508 909 R N 1.087 121.539 120.500 -0.079 0.000 2.627 909 R HA 0.187 4.535 4.340 0.013 0.000 0.251 909 R C -0.629 175.705 176.300 0.057 0.000 1.524 909 R CA -0.158 55.959 56.100 0.029 0.000 1.606 909 R CB 0.060 30.382 30.300 0.037 0.000 1.396 909 R HN 0.102 nan 8.270 nan 0.000 0.724 910 L N -1.852 119.412 121.223 0.068 0.000 3.386 910 L HA 0.328 4.676 4.340 0.013 0.000 0.307 910 L C 1.289 178.211 176.870 0.087 0.000 1.235 910 L CA 0.140 55.016 54.840 0.059 0.000 1.056 910 L CB 0.049 42.134 42.059 0.043 0.000 1.453 910 L HN 0.075 nan 8.230 nan 0.000 0.615 911 T N -2.534 112.097 114.554 0.129 0.000 2.833 911 T HA -0.026 4.332 4.350 0.013 0.000 0.269 911 T C 1.751 176.470 174.700 0.032 0.000 1.054 911 T CA 1.409 63.603 62.100 0.156 0.000 1.135 911 T CB -0.344 68.679 68.868 0.258 0.000 0.869 911 T HN 0.408 nan 8.240 nan 0.000 0.466 912 A N 1.545 124.396 122.820 0.052 0.000 2.067 912 A HA 0.665 4.993 4.320 0.013 0.000 0.217 912 A C 1.622 179.283 177.584 0.128 0.000 1.156 912 A CA 0.448 52.468 52.037 -0.027 0.000 0.683 912 A CB -0.876 18.276 19.000 0.253 0.000 0.808 912 A HN 0.830 nan 8.150 nan 0.000 0.455 913 A N -0.898 121.943 122.820 0.036 0.000 2.445 913 A HA 0.427 4.755 4.320 0.013 0.000 0.242 913 A C 0.059 177.652 177.584 0.015 0.000 1.075 913 A CA -0.032 51.984 52.037 -0.035 0.000 0.777 913 A CB -0.206 18.772 19.000 -0.037 0.000 1.013 913 A HN 0.470 nan 8.150 nan 0.000 0.493 914 C N 1.042 120.342 119.300 -0.001 0.000 2.435 914 C HA 0.522 4.990 4.460 0.013 0.000 0.333 914 C C 0.008 175.104 174.990 0.178 0.000 1.202 914 C CA -0.459 58.623 59.018 0.108 0.000 1.830 914 C CB 0.634 28.460 27.740 0.145 0.000 2.326 914 C HN 0.786 nan 8.230 nan 0.000 0.507 915 F N 3.888 123.706 119.950 -0.221 0.000 2.471 915 F HA 0.424 4.958 4.527 0.013 0.000 0.365 915 F C 0.458 175.959 175.800 -0.498 0.000 1.095 915 F CA 1.243 58.963 58.000 -0.466 0.000 1.174 915 F CB -0.101 38.123 39.000 -1.293 0.000 1.105 915 F HN 0.637 nan 8.300 nan 0.000 0.535 916 D N 3.249 123.068 120.400 -0.968 0.000 3.010 916 D HA 0.166 4.814 4.640 0.013 0.000 0.353 916 D C -1.661 173.750 176.300 -1.482 0.000 1.415 916 D CA -0.734 52.595 54.000 -1.118 0.000 0.864 916 D CB 1.436 41.520 40.800 -1.193 0.000 1.445 916 D HN 0.446 nan 8.370 nan 0.000 0.516 917 R N 0.636 120.323 120.500 -1.355 0.000 2.229 917 R HA 0.538 4.886 4.340 0.013 0.000 0.332 917 R C -1.451 174.080 176.300 -1.281 0.000 0.989 917 R CA -0.253 55.196 56.100 -1.084 0.000 0.842 917 R CB 0.366 30.305 30.300 -0.603 0.000 1.119 917 R HN 0.287 nan 8.270 nan 0.000 0.456 918 W N 2.442 123.210 121.300 -0.886 0.000 2.719 918 W HA 0.458 5.126 4.660 0.013 0.000 0.352 918 W C -0.532 175.643 176.519 -0.572 0.000 1.085 918 W CA -0.613 56.195 57.345 -0.896 0.000 1.187 918 W CB 1.732 30.159 29.460 -1.721 0.000 1.417 918 W HN 0.400 nan 8.180 nan 0.000 0.557 919 D N 2.052 122.461 120.400 0.015 0.000 2.591 919 D HA 0.372 5.020 4.640 0.013 0.000 0.222 919 D C -1.679 174.744 176.300 0.205 0.000 1.360 919 D CA -0.148 53.943 54.000 0.152 0.000 0.967 919 D CB 0.852 41.680 40.800 0.047 0.000 1.456 919 D HN 0.397 nan 8.370 nan 0.000 0.588 920 L N 2.942 124.353 121.223 0.313 0.000 2.350 920 L HA 0.594 4.942 4.340 0.013 0.000 0.260 920 L C -2.285 174.700 176.870 0.192 0.000 1.015 920 L CA -2.203 52.780 54.840 0.238 0.000 0.821 920 L CB 2.644 44.877 42.059 0.289 0.000 1.370 920 L HN 0.176 nan 8.230 nan 0.000 0.416 921 P HA 0.036 nan 4.420 nan 0.000 0.271 921 P C 0.570 177.938 177.300 0.114 0.000 1.218 921 P CA -0.358 62.809 63.100 0.110 0.000 0.780 921 P CB 0.938 32.684 31.700 0.077 0.000 0.901 922 L N 3.537 124.832 121.223 0.120 0.000 2.051 922 L HA -0.284 4.064 4.340 0.013 0.000 0.214 922 L C 2.185 179.092 176.870 0.063 0.000 1.076 922 L CA 2.752 57.651 54.840 0.098 0.000 0.758 922 L CB -1.488 40.644 42.059 0.121 0.000 0.890 922 L HN 0.426 nan 8.230 nan 0.000 0.433 923 S N -1.735 114.006 115.700 0.069 0.000 2.419 923 S HA -0.169 4.309 4.470 0.013 0.000 0.233 923 S C 1.565 176.226 174.600 0.103 0.000 1.016 923 S CA 1.086 59.343 58.200 0.095 0.000 0.974 923 S CB -0.768 62.482 63.200 0.083 0.000 0.786 923 S HN 0.514 nan 8.310 nan 0.000 0.492 924 D N 1.212 121.647 120.400 0.058 0.000 2.371 924 D HA 0.078 4.726 4.640 0.013 0.000 0.221 924 D C 1.177 177.463 176.300 -0.022 0.000 0.986 924 D CA 0.619 54.630 54.000 0.017 0.000 0.899 924 D CB -0.141 40.679 40.800 0.033 0.000 0.902 924 D HN 0.381 nan 8.370 nan 0.000 0.530 925 M N -0.485 119.110 119.600 -0.008 0.000 2.494 925 M HA 0.069 4.557 4.480 0.013 0.000 0.232 925 M C -0.047 176.245 176.300 -0.013 0.000 1.137 925 M CA -0.076 55.175 55.300 -0.082 0.000 1.012 925 M CB -0.705 31.833 32.600 -0.103 0.000 1.567 925 M HN -0.051 nan 8.290 nan 0.000 0.486 926 Y N 0.175 120.423 120.300 -0.086 0.000 2.364 926 Y HA 0.498 5.056 4.550 0.013 0.000 0.340 926 Y C -0.738 175.100 175.900 -0.104 0.000 0.975 926 Y CA -0.849 57.219 58.100 -0.053 0.000 1.089 926 Y CB 1.304 39.796 38.460 0.055 0.000 1.192 926 Y HN -0.120 nan 8.280 nan 0.000 0.454 927 T N 8.943 123.021 114.554 -0.792 0.000 2.743 927 T HA 0.284 4.642 4.350 0.013 0.000 0.292 927 T C -2.650 171.257 174.700 -1.322 0.000 0.972 927 T CA -1.515 60.035 62.100 -0.917 0.000 0.967 927 T CB 1.088 69.486 68.868 -0.784 0.000 0.926 927 T HN 0.464 nan 8.240 nan 0.000 0.459 928 P HA 0.129 nan 4.420 nan 0.000 0.225 928 P C -0.640 176.523 177.300 -0.228 0.000 1.768 928 P CA -0.464 62.221 63.100 -0.691 0.000 0.943 928 P CB -0.783 30.645 31.700 -0.453 0.000 1.936 929 Y N -0.322 119.919 120.300 -0.098 0.000 2.717 929 Y HA -0.106 4.452 4.550 0.013 0.000 0.330 929 Y C 2.273 178.218 175.900 0.075 0.000 1.217 929 Y CA -0.435 57.656 58.100 -0.016 0.000 1.506 929 Y CB 0.427 38.822 38.460 -0.110 0.000 1.268 929 Y HN -0.084 nan 8.280 nan 0.000 0.561 930 V N 3.701 123.819 119.914 0.341 0.000 2.332 930 V HA -0.310 3.818 4.120 0.013 0.000 0.248 930 V C 0.544 176.807 176.094 0.281 0.000 1.055 930 V CA 1.464 63.956 62.300 0.320 0.000 1.038 930 V CB -0.554 31.497 31.823 0.380 0.000 0.651 930 V HN 0.595 nan 8.190 nan 0.000 0.450 931 F N 3.011 123.007 119.950 0.077 0.000 2.371 931 F HA 0.518 5.053 4.527 0.013 0.000 0.363 931 F C -2.517 173.279 175.800 -0.005 0.000 1.122 931 F CA -3.341 54.646 58.000 -0.023 0.000 1.129 931 F CB 0.858 39.732 39.000 -0.211 0.000 1.173 931 F HN -0.013 nan 8.300 nan 0.000 0.489 932 P HA 0.271 nan 4.420 nan 0.000 0.271 932 P C -1.057 175.935 177.300 -0.514 0.000 1.216 932 P CA 0.031 62.858 63.100 -0.454 0.000 0.776 932 P CB 1.339 32.797 31.700 -0.404 0.000 0.881 933 S N 0.147 115.751 115.700 -0.160 0.000 2.703 933 S HA 0.444 4.922 4.470 0.013 0.000 0.273 933 S C -0.816 173.784 174.600 0.000 0.000 1.178 933 S CA -0.936 57.216 58.200 -0.079 0.000 0.838 933 S CB 0.389 63.585 63.200 -0.006 0.000 1.178 933 S HN 0.332 nan 8.310 nan 0.000 0.494 934 E N 1.112 121.324 120.200 0.019 0.000 2.481 934 E HA 0.349 4.707 4.350 0.013 0.000 0.263 934 E C -0.157 176.504 176.600 0.101 0.000 0.992 934 E CA 0.886 57.322 56.400 0.060 0.000 0.938 934 E CB -0.138 29.621 29.700 0.100 0.000 0.933 934 E HN 0.811 nan 8.360 nan 0.000 0.453 935 N N 1.298 120.089 118.700 0.152 0.000 3.046 935 N HA 0.455 5.203 4.740 0.013 0.000 0.243 935 N C 0.196 175.760 175.510 0.089 0.000 1.452 935 N CA -0.487 52.689 53.050 0.211 0.000 0.882 935 N CB 0.811 39.416 38.487 0.196 0.000 1.425 935 N HN 0.736 nan 8.380 nan 0.000 0.517 936 G N -1.205 107.606 108.800 0.019 0.000 2.175 936 G HA2 -0.286 3.682 3.960 0.013 0.000 0.265 936 G HA3 -0.286 3.682 3.960 0.013 0.000 0.265 936 G C -0.108 174.537 174.900 -0.425 0.000 0.979 936 G CA 0.554 45.543 45.100 -0.186 0.000 0.663 936 G HN 0.739 nan 8.290 nan 0.000 0.533 937 L N -0.127 120.772 121.223 -0.540 0.000 2.516 937 L HA 0.573 4.921 4.340 0.013 0.000 0.288 937 L C 0.740 177.034 176.870 -0.960 0.000 1.246 937 L CA 0.638 54.922 54.840 -0.927 0.000 0.844 937 L CB 0.486 41.672 42.059 -1.455 0.000 1.106 937 L HN 0.280 nan 8.230 nan 0.000 0.509 938 R N 2.458 122.304 120.500 -1.090 0.000 2.561 938 R HA 0.504 4.852 4.340 0.013 0.000 0.297 938 R C -0.963 174.992 176.300 -0.574 0.000 0.969 938 R CA -0.285 55.312 56.100 -0.837 0.000 0.879 938 R CB 1.455 31.153 30.300 -1.004 0.000 1.178 938 R HN 0.703 nan 8.270 nan 0.000 0.445 939 C N 0.251 119.368 119.300 -0.306 0.000 2.547 939 C HA 0.705 5.173 4.460 0.013 0.000 0.411 939 C C 1.266 176.241 174.990 -0.024 0.000 1.424 939 C CA 0.016 58.933 59.018 -0.169 0.000 1.848 939 C CB 1.354 29.017 27.740 -0.128 0.000 2.062 939 C HN 1.024 nan 8.230 nan 0.000 0.504 940 G N 1.675 110.472 108.800 -0.005 0.000 2.341 940 G HA2 -0.191 3.777 3.960 0.013 0.000 0.292 940 G HA3 -0.191 3.777 3.960 0.013 0.000 0.292 940 G C -0.027 174.941 174.900 0.114 0.000 1.021 940 G CA 0.688 45.834 45.100 0.076 0.000 0.905 940 G HN 0.783 nan 8.290 nan 0.000 0.508 941 T N -0.027 114.471 114.554 -0.093 0.000 2.767 941 T HA 0.497 4.855 4.350 0.013 0.000 0.288 941 T C 1.355 175.738 174.700 -0.529 0.000 0.963 941 T CA -0.637 61.348 62.100 -0.191 0.000 1.019 941 T CB 1.320 70.140 68.868 -0.079 0.000 0.923 941 T HN 0.194 nan 8.240 nan 0.000 0.468 942 R N 1.619 122.029 120.500 -0.151 0.000 2.237 942 R HA 0.296 4.644 4.340 0.013 0.000 0.195 942 R C 0.588 176.905 176.300 0.028 0.000 0.956 942 R CA 0.283 56.357 56.100 -0.043 0.000 1.029 942 R CB 0.234 30.646 30.300 0.188 0.000 0.972 942 R HN 0.719 nan 8.270 nan 0.000 0.493 943 E N 0.176 120.409 120.200 0.055 0.000 2.378 943 E HA 0.307 4.665 4.350 0.013 0.000 0.283 943 E C -1.905 174.854 176.600 0.265 0.000 0.979 943 E CA -0.641 55.894 56.400 0.225 0.000 0.795 943 E CB 1.424 31.213 29.700 0.148 0.000 1.221 943 E HN -0.079 nan 8.360 nan 0.000 0.428 944 L N 3.813 125.256 121.223 0.366 0.000 2.410 944 L HA 0.585 4.933 4.340 0.013 0.000 0.270 944 L C -1.844 175.217 176.870 0.320 0.000 0.983 944 L CA -0.398 54.589 54.840 0.244 0.000 0.822 944 L CB 1.798 43.857 42.059 -0.001 0.000 1.285 944 L HN 0.467 nan 8.230 nan 0.000 0.409 945 N N 4.399 123.257 118.700 0.262 0.000 2.392 945 N HA 0.368 5.116 4.740 0.013 0.000 0.283 945 N C -1.909 173.821 175.510 0.367 0.000 1.003 945 N CA -0.256 52.946 53.050 0.253 0.000 0.892 945 N CB 2.057 40.639 38.487 0.158 0.000 1.193 945 N HN 0.602 nan 8.380 nan 0.000 0.487 946 Y N 1.419 121.857 120.300 0.230 0.000 2.317 946 Y HA 0.388 4.946 4.550 0.013 0.000 0.325 946 Y C 0.671 176.671 175.900 0.166 0.000 1.066 946 Y CA -0.026 58.210 58.100 0.227 0.000 1.203 946 Y CB 0.472 39.128 38.460 0.327 0.000 1.127 946 Y HN 0.873 nan 8.280 nan 0.000 0.451 947 G N 6.592 115.224 108.800 -0.278 0.000 2.583 947 G HA2 -0.321 3.647 3.960 0.013 0.000 0.292 947 G HA3 -0.321 3.647 3.960 0.013 0.000 0.292 947 G C -1.545 173.232 174.900 -0.205 0.000 1.203 947 G CA 0.164 45.079 45.100 -0.307 0.000 0.987 947 G HN 0.536 nan 8.290 nan 0.000 0.554 948 P HA 0.095 nan 4.420 nan 0.000 0.229 948 P C 0.481 177.560 177.300 -0.369 0.000 1.160 948 P CA 1.100 63.984 63.100 -0.360 0.000 0.777 948 P CB -0.068 31.326 31.700 -0.510 0.000 0.814 949 H N 0.104 119.118 119.070 -0.093 0.000 2.482 949 H HA 0.448 5.012 4.556 0.013 0.000 0.344 949 H C 0.020 175.085 175.328 -0.437 0.000 1.151 949 H CA 0.018 55.894 56.048 -0.286 0.000 1.300 949 H CB 1.269 30.720 29.762 -0.519 0.000 1.494 949 H HN 0.069 nan 8.280 nan 0.000 0.542 950 Q N 2.077 121.620 119.800 -0.428 0.000 2.285 950 Q HA 0.230 4.578 4.340 0.013 0.000 0.269 950 Q C -1.520 174.178 176.000 -0.504 0.000 1.030 950 Q CA -0.676 54.953 55.803 -0.289 0.000 0.788 950 Q CB 1.913 30.617 28.738 -0.056 0.000 1.266 950 Q HN 0.563 nan 8.270 nan 0.000 0.438 951 W N 3.915 125.173 121.300 -0.071 0.000 2.573 951 W HA 0.570 5.238 4.660 0.013 0.000 0.326 951 W C -0.168 176.429 176.519 0.130 0.000 1.049 951 W CA -0.706 56.557 57.345 -0.137 0.000 1.220 951 W CB 1.866 31.018 29.460 -0.513 0.000 1.373 951 W HN 0.507 nan 8.180 nan 0.000 0.507 952 R N 0.786 121.516 120.500 0.384 0.000 2.750 952 R HA 0.783 5.131 4.340 0.013 0.000 0.281 952 R C 0.204 176.789 176.300 0.475 0.000 0.972 952 R CA -0.457 55.895 56.100 0.419 0.000 0.912 952 R CB 2.384 32.835 30.300 0.252 0.000 1.187 952 R HN 0.740 nan 8.270 nan 0.000 0.464 953 G N 0.631 109.703 108.800 0.453 0.000 2.566 953 G HA2 0.019 3.987 3.960 0.013 0.000 0.138 953 G HA3 0.019 3.987 3.960 0.013 0.000 0.138 953 G C -1.728 173.288 174.900 0.192 0.000 1.133 953 G CA -0.308 45.018 45.100 0.377 0.000 1.037 953 G HN 0.485 nan 8.290 nan 0.000 0.491 954 D N 0.104 120.609 120.400 0.175 0.000 2.472 954 D HA 0.549 5.197 4.640 0.013 0.000 0.248 954 D C -0.787 175.502 176.300 -0.018 0.000 1.271 954 D CA -0.472 53.527 54.000 -0.002 0.000 0.888 954 D CB 0.069 40.910 40.800 0.069 0.000 1.337 954 D HN 0.485 nan 8.370 nan 0.000 0.526 955 F N -0.361 119.588 119.950 -0.002 0.000 2.664 955 F HA 0.739 5.274 4.527 0.013 0.000 0.329 955 F C -0.693 175.070 175.800 -0.062 0.000 1.090 955 F CA -1.022 56.916 58.000 -0.104 0.000 0.978 955 F CB 0.780 39.717 39.000 -0.104 0.000 1.378 955 F HN -0.200 nan 8.300 nan 0.000 0.495 956 Q N 1.612 121.495 119.800 0.138 0.000 2.301 956 Q HA 0.661 5.009 4.340 0.013 0.000 0.267 956 Q C -1.236 174.847 176.000 0.138 0.000 1.035 956 Q CA -0.558 55.249 55.803 0.007 0.000 0.856 956 Q CB 2.678 31.314 28.738 -0.171 0.000 1.337 956 Q HN 0.879 nan 8.270 nan 0.000 0.450 957 F N -1.214 118.639 119.950 -0.163 0.000 2.693 957 F HA 0.708 5.243 4.527 0.013 0.000 0.309 957 F C -1.667 173.926 175.800 -0.346 0.000 1.129 957 F CA -1.111 56.742 58.000 -0.246 0.000 0.948 957 F CB 1.457 40.330 39.000 -0.212 0.000 1.315 957 F HN 0.574 nan 8.300 nan 0.000 0.447 958 N N 1.847 120.401 118.700 -0.244 0.000 2.284 958 N HA 0.748 5.496 4.740 0.013 0.000 0.289 958 N C -2.112 173.345 175.510 -0.089 0.000 1.179 958 N CA -0.757 52.119 53.050 -0.289 0.000 0.774 958 N CB 2.652 40.969 38.487 -0.283 0.000 1.548 958 N HN 1.122 nan 8.380 nan 0.000 0.473 959 I N 0.483 120.991 120.570 -0.104 0.000 2.610 959 I HA 0.651 4.829 4.170 0.013 0.000 0.289 959 I C -1.421 174.610 176.117 -0.143 0.000 1.163 959 I CA 0.039 61.239 61.300 -0.167 0.000 1.044 959 I CB 1.314 39.147 38.000 -0.278 0.000 1.251 959 I HN 1.051 nan 8.210 nan 0.000 0.424 960 S N 6.320 121.950 115.700 -0.118 0.000 2.655 960 S HA 0.506 4.984 4.470 0.013 0.000 0.266 960 S C -0.223 174.266 174.600 -0.185 0.000 1.149 960 S CA -0.933 57.189 58.200 -0.129 0.000 0.818 960 S CB 1.725 64.908 63.200 -0.029 0.000 1.130 960 S HN 0.613 nan 8.310 nan 0.000 0.476 961 R N -0.118 120.103 120.500 -0.465 0.000 2.320 961 R HA 0.282 4.630 4.340 0.013 0.000 0.211 961 R C -0.899 175.078 176.300 -0.538 0.000 0.931 961 R CA 0.292 56.095 56.100 -0.495 0.000 1.071 961 R CB -1.092 28.781 30.300 -0.713 0.000 1.025 961 R HN 0.654 nan 8.270 nan 0.000 0.495 962 Y N -0.058 120.190 120.300 -0.086 0.000 2.376 962 Y HA 0.219 4.777 4.550 0.013 0.000 0.340 962 Y C 0.698 176.370 175.900 -0.380 0.000 0.965 962 Y CA -1.142 56.822 58.100 -0.225 0.000 1.078 962 Y CB 1.418 39.689 38.460 -0.314 0.000 1.193 962 Y HN -0.107 nan 8.280 nan 0.000 0.452 963 S N 1.680 117.025 115.700 -0.591 0.000 2.585 963 S HA 0.044 4.522 4.470 0.013 0.000 0.273 963 S C 0.872 175.118 174.600 -0.590 0.000 1.339 963 S CA -0.786 56.697 58.200 -1.195 0.000 1.028 963 S CB 1.193 63.561 63.200 -1.387 0.000 0.906 963 S HN 0.733 nan 8.310 nan 0.000 0.528 964 Q N 0.990 120.469 119.800 -0.535 0.000 2.135 964 Q HA -0.228 4.119 4.340 0.013 0.000 0.204 964 Q C 2.195 178.047 176.000 -0.248 0.000 0.981 964 Q CA 1.982 57.614 55.803 -0.284 0.000 0.856 964 Q CB -0.530 28.082 28.738 -0.210 0.000 0.902 964 Q HN 0.985 nan 8.270 nan 0.000 0.425 965 Q N 0.484 120.101 119.800 -0.304 0.000 2.124 965 Q HA -0.207 4.141 4.340 0.013 0.000 0.202 965 Q C 2.108 177.991 176.000 -0.197 0.000 0.977 965 Q CA 1.352 57.032 55.803 -0.204 0.000 0.850 965 Q CB 0.046 28.668 28.738 -0.192 0.000 0.901 965 Q HN 0.396 nan 8.270 nan 0.000 0.429 966 Q N 0.020 119.669 119.800 -0.252 0.000 2.079 966 Q HA -0.159 4.189 4.340 0.013 0.000 0.200 966 Q C 2.187 178.046 176.000 -0.234 0.000 0.974 966 Q CA 1.271 56.938 55.803 -0.225 0.000 0.840 966 Q CB -0.040 28.541 28.738 -0.262 0.000 0.898 966 Q HN 0.481 nan 8.270 nan 0.000 0.430 967 L N 0.095 121.175 121.223 -0.239 0.000 2.046 967 L HA -0.206 4.142 4.340 0.013 0.000 0.208 967 L C 2.665 179.394 176.870 -0.235 0.000 1.077 967 L CA 1.171 55.865 54.840 -0.243 0.000 0.747 967 L CB -0.357 41.595 42.059 -0.179 0.000 0.896 967 L HN 0.373 nan 8.230 nan 0.000 0.432 968 M N -0.480 119.014 119.600 -0.177 0.000 2.319 968 M HA -0.158 4.330 4.480 0.013 0.000 0.265 968 M C 1.527 177.747 176.300 -0.133 0.000 1.068 968 M CA 1.591 56.804 55.300 -0.144 0.000 1.118 968 M CB 0.128 32.650 32.600 -0.131 0.000 1.395 968 M HN 0.201 nan 8.290 nan 0.000 0.435 969 E N -0.669 119.448 120.200 -0.138 0.000 2.474 969 E HA 0.063 4.421 4.350 0.013 0.000 0.195 969 E C -0.394 176.143 176.600 -0.105 0.000 1.039 969 E CA 0.112 56.452 56.400 -0.099 0.000 0.881 969 E CB 0.531 30.183 29.700 -0.080 0.000 0.970 969 E HN 0.305 nan 8.360 nan 0.000 0.486 970 T N 0.258 114.708 114.554 -0.172 0.000 2.792 970 T HA 0.104 4.462 4.350 0.013 0.000 0.280 970 T C 0.955 175.526 174.700 -0.215 0.000 0.990 970 T CA -0.546 61.449 62.100 -0.174 0.000 0.960 970 T CB 1.690 70.421 68.868 -0.228 0.000 0.939 970 T HN 0.009 nan 8.240 nan 0.000 0.439 971 S N 1.684 117.354 115.700 -0.049 0.000 2.527 971 S HA 0.071 4.549 4.470 0.013 0.000 0.222 971 S C 0.242 174.846 174.600 0.007 0.000 0.985 971 S CA 0.310 58.547 58.200 0.062 0.000 0.921 971 S CB -0.270 63.119 63.200 0.316 0.000 0.772 971 S HN 0.756 nan 8.310 nan 0.000 0.529 972 H N 0.384 119.411 119.070 -0.072 0.000 2.856 972 H HA 0.469 5.033 4.556 0.013 0.000 0.355 972 H C 0.858 176.118 175.328 -0.113 0.000 1.079 972 H CA -0.710 55.347 56.048 0.016 0.000 1.240 972 H CB 1.521 31.269 29.762 -0.023 0.000 1.701 972 H HN 0.123 nan 8.280 nan 0.000 0.527 973 R N 2.014 122.586 120.500 0.121 0.000 2.139 973 R HA -0.206 4.142 4.340 0.013 0.000 0.243 973 R C 1.233 177.521 176.300 -0.020 0.000 1.145 973 R CA 2.084 58.198 56.100 0.025 0.000 0.976 973 R CB -0.489 29.876 30.300 0.108 0.000 0.866 973 R HN 0.785 nan 8.270 nan 0.000 0.449 974 H N 1.108 120.166 119.070 -0.020 0.000 2.521 974 H HA -0.002 4.561 4.556 0.013 0.000 0.286 974 H C 1.509 176.743 175.328 -0.156 0.000 1.034 974 H CA 0.989 56.983 56.048 -0.090 0.000 1.278 974 H CB -0.171 29.516 29.762 -0.124 0.000 1.386 974 H HN 0.353 nan 8.280 nan 0.000 0.567 975 L N 0.804 121.637 121.223 -0.651 0.000 2.592 975 L HA 0.221 4.569 4.340 0.013 0.000 0.227 975 L C 0.785 177.505 176.870 -0.251 0.000 1.127 975 L CA -0.165 54.373 54.840 -0.503 0.000 0.884 975 L CB 0.092 41.810 42.059 -0.567 0.000 1.065 975 L HN 0.029 nan 8.230 nan 0.000 0.457 976 L N 1.222 122.283 121.223 -0.271 0.000 2.439 976 L HA 0.126 4.474 4.340 0.013 0.000 0.269 976 L C 0.242 177.061 176.870 -0.085 0.000 1.179 976 L CA -0.010 54.640 54.840 -0.317 0.000 0.828 976 L CB 0.343 41.987 42.059 -0.690 0.000 1.106 976 L HN 0.234 nan 8.230 nan 0.000 0.467 977 H N 1.703 120.792 119.070 0.032 0.000 2.637 977 H HA 0.606 5.169 4.556 0.013 0.000 0.363 977 H C -0.753 174.691 175.328 0.194 0.000 1.131 977 H CA -1.265 54.839 56.048 0.094 0.000 1.183 977 H CB 1.410 31.181 29.762 0.016 0.000 1.637 977 H HN 0.666 nan 8.280 nan 0.000 0.531 978 A N 3.292 126.216 122.820 0.174 0.000 2.511 978 A HA 0.100 4.427 4.320 0.013 0.000 0.242 978 A C 0.359 177.989 177.584 0.078 0.000 1.069 978 A CA -0.203 51.782 52.037 -0.087 0.000 0.763 978 A CB -0.035 18.885 19.000 -0.135 0.000 1.001 978 A HN 0.849 nan 8.150 nan 0.000 0.498 979 E N 0.947 121.163 120.200 0.025 0.000 2.359 979 E HA 0.221 4.579 4.350 0.013 0.000 0.255 979 E C -0.245 176.404 176.600 0.081 0.000 1.191 979 E CA -0.618 55.880 56.400 0.164 0.000 0.952 979 E CB 0.639 30.510 29.700 0.284 0.000 1.152 979 E HN 0.782 nan 8.360 nan 0.000 0.496 980 E N -0.057 120.186 120.200 0.071 0.000 2.360 980 E HA 0.260 4.618 4.350 0.013 0.000 0.269 980 E C 0.189 176.756 176.600 -0.054 0.000 1.022 980 E CA 0.584 56.986 56.400 0.003 0.000 0.887 980 E CB 0.557 30.252 29.700 -0.008 0.000 0.990 980 E HN 0.662 nan 8.360 nan 0.000 0.426 981 G N 2.556 111.324 108.800 -0.054 0.000 2.698 981 G HA2 -0.222 3.746 3.960 0.013 0.000 0.233 981 G HA3 -0.222 3.746 3.960 0.013 0.000 0.233 981 G C -0.614 174.229 174.900 -0.096 0.000 1.352 981 G CA -0.315 44.736 45.100 -0.083 0.000 0.879 981 G HN 0.568 nan 8.290 nan 0.000 0.567 982 T N 0.225 114.703 114.554 -0.126 0.000 2.812 982 T HA 0.516 4.874 4.350 0.013 0.000 0.282 982 T C -0.673 173.872 174.700 -0.257 0.000 0.990 982 T CA -0.137 61.888 62.100 -0.124 0.000 0.960 982 T CB 1.367 70.226 68.868 -0.015 0.000 0.948 982 T HN 0.557 nan 8.240 nan 0.000 0.438 983 W N 3.131 124.333 121.300 -0.163 0.000 2.322 983 W HA 0.592 5.260 4.660 0.013 0.000 0.307 983 W C -0.291 176.089 176.519 -0.233 0.000 1.220 983 W CA -0.707 56.538 57.345 -0.167 0.000 1.210 983 W CB 0.749 30.123 29.460 -0.142 0.000 1.223 983 W HN 0.378 nan 8.180 nan 0.000 0.511 984 L N 5.704 126.896 121.223 -0.052 0.000 2.333 984 L HA 0.496 4.844 4.340 0.013 0.000 0.280 984 L C -0.915 175.832 176.870 -0.205 0.000 1.004 984 L CA -0.440 54.248 54.840 -0.253 0.000 0.820 984 L CB 0.818 42.563 42.059 -0.522 0.000 1.247 984 L HN 0.317 nan 8.230 nan 0.000 0.416 985 N N 7.084 125.664 118.700 -0.200 0.000 2.446 985 N HA 0.459 5.207 4.740 0.013 0.000 0.265 985 N C -1.170 174.188 175.510 -0.253 0.000 0.975 985 N CA -0.257 52.677 53.050 -0.194 0.000 0.928 985 N CB 2.159 40.566 38.487 -0.133 0.000 1.160 985 N HN 0.541 nan 8.380 nan 0.000 0.495 986 I N 1.906 122.276 120.570 -0.333 0.000 2.382 986 I HA 0.243 4.421 4.170 0.013 0.000 0.286 986 I C -0.611 175.314 176.117 -0.320 0.000 1.002 986 I CA -0.601 60.467 61.300 -0.387 0.000 1.135 986 I CB 1.567 39.151 38.000 -0.694 0.000 1.288 986 I HN 0.170 nan 8.210 nan 0.000 0.448 987 D N 4.470 124.717 120.400 -0.255 0.000 2.256 987 D HA 0.292 4.940 4.640 0.013 0.000 0.246 987 D C 0.938 176.923 176.300 -0.524 0.000 1.042 987 D CA -0.263 53.519 54.000 -0.363 0.000 0.841 987 D CB 2.542 43.231 40.800 -0.185 0.000 1.223 987 D HN 0.689 nan 8.370 nan 0.000 0.470 988 G N 0.946 109.125 108.800 -1.035 0.000 2.408 988 G HA2 0.006 3.974 3.960 0.013 0.000 0.215 988 G HA3 0.006 3.974 3.960 0.013 0.000 0.215 988 G C 0.085 174.159 174.900 -1.377 0.000 1.156 988 G CA 0.518 44.843 45.100 -1.291 0.000 0.793 988 G HN 0.369 nan 8.290 nan 0.000 0.535 989 F N -1.942 117.800 119.950 -0.348 0.000 2.601 989 F HA 0.607 5.142 4.527 0.013 0.000 0.309 989 F C -0.572 175.119 175.800 -0.181 0.000 1.089 989 F CA -1.184 56.688 58.000 -0.213 0.000 0.940 989 F CB 2.156 40.945 39.000 -0.351 0.000 1.273 989 F HN 0.027 nan 8.300 nan 0.000 0.450 990 H N 1.930 120.999 119.070 -0.003 0.000 2.856 990 H HA 0.511 5.074 4.556 0.013 0.000 0.355 990 H C -0.765 174.589 175.328 0.044 0.000 1.079 990 H CA -0.845 55.184 56.048 -0.031 0.000 1.240 990 H CB 1.775 31.512 29.762 -0.042 0.000 1.701 990 H HN 0.781 nan 8.280 nan 0.000 0.527 991 M N 3.560 123.110 119.600 -0.083 0.000 2.245 991 M HA 0.268 4.756 4.480 0.013 0.000 0.330 991 M C 0.555 176.971 176.300 0.193 0.000 1.098 991 M CA 0.444 55.770 55.300 0.043 0.000 1.172 991 M CB 0.373 32.902 32.600 -0.120 0.000 1.467 991 M HN 0.828 nan 8.290 nan 0.000 0.454 992 G N 2.642 111.543 108.800 0.169 0.000 2.683 992 G HA2 0.291 4.259 3.960 0.013 0.000 0.260 992 G HA3 0.291 4.259 3.960 0.013 0.000 0.260 992 G C 0.584 175.469 174.900 -0.025 0.000 1.238 992 G CA -0.302 44.827 45.100 0.048 0.000 0.934 992 G HN 0.972 nan 8.290 nan 0.000 0.534 993 I N -2.378 118.120 120.570 -0.120 0.000 3.645 993 I HA 0.429 4.607 4.170 0.013 0.000 0.300 993 I C 1.194 177.241 176.117 -0.118 0.000 1.260 993 I CA 0.439 61.632 61.300 -0.178 0.000 1.365 993 I CB -0.539 37.257 38.000 -0.341 0.000 1.077 993 I HN 0.953 nan 8.210 nan 0.000 0.439 994 G N 1.498 110.250 108.800 -0.080 0.000 2.645 994 G HA2 0.066 4.034 3.960 0.013 0.000 0.239 994 G HA3 0.066 4.034 3.960 0.013 0.000 0.239 994 G C 0.540 175.438 174.900 -0.005 0.000 1.331 994 G CA 0.039 45.130 45.100 -0.014 0.000 0.890 994 G HN 1.358 nan 8.290 nan 0.000 0.572 995 G N -2.298 106.516 108.800 0.022 0.000 2.370 995 G HA2 -0.004 3.964 3.960 0.013 0.000 0.174 995 G HA3 -0.004 3.964 3.960 0.013 0.000 0.174 995 G C 0.668 175.629 174.900 0.101 0.000 1.002 995 G CA 0.903 46.030 45.100 0.044 0.000 0.730 995 G HN 1.017 nan 8.290 nan 0.000 0.497 996 D N 1.243 121.719 120.400 0.127 0.000 2.190 996 D HA 0.084 4.732 4.640 0.013 0.000 0.200 996 D C 1.037 177.377 176.300 0.066 0.000 0.992 996 D CA 2.096 56.234 54.000 0.231 0.000 0.854 996 D CB 0.113 41.057 40.800 0.239 0.000 0.936 996 D HN 0.836 nan 8.370 nan 0.000 0.462 997 D N -3.483 116.757 120.400 -0.267 0.000 2.643 997 D HA 0.347 4.995 4.640 0.013 0.000 0.283 997 D C -0.724 175.115 176.300 -0.767 0.000 1.242 997 D CA -0.741 52.675 54.000 -0.972 0.000 0.863 997 D CB 0.927 40.482 40.800 -2.075 0.000 1.382 997 D HN -0.305 nan 8.370 nan 0.000 0.444 998 S N -0.659 114.481 115.700 -0.934 0.000 2.664 998 S HA 0.229 4.706 4.470 0.013 0.000 0.245 998 S C -0.569 174.099 174.600 0.112 0.000 1.019 998 S CA -0.700 57.408 58.200 -0.152 0.000 0.996 998 S CB -0.440 62.911 63.200 0.252 0.000 0.878 998 S HN 0.619 nan 8.310 nan 0.000 0.493 999 W N 1.293 122.539 121.300 -0.089 0.000 2.284 999 W HA 0.563 5.230 4.660 0.012 0.000 0.334 999 W C 0.124 176.596 176.519 -0.079 0.000 0.917 999 W CA -0.539 56.751 57.345 -0.092 0.000 1.621 999 W CB -0.412 28.916 29.460 -0.221 0.000 1.129 999 W HN 0.187 nan 8.180 nan 0.000 0.528 1000 S N -1.140 114.445 115.700 -0.193 0.000 2.615 1000 S HA 0.616 5.094 4.470 0.013 0.000 0.269 1000 S C -3.199 171.337 174.600 -0.108 0.000 1.161 1000 S CA -1.585 56.538 58.200 -0.128 0.000 0.817 1000 S CB 1.502 64.620 63.200 -0.136 0.000 1.131 1000 S HN -0.222 nan 8.310 nan 0.000 0.467 1001 P HA 0.266 nan 4.420 nan 0.000 0.267 1001 P C 0.264 177.606 177.300 0.070 0.000 1.209 1001 P CA -0.131 62.979 63.100 0.016 0.000 0.763 1001 P CB 0.811 32.419 31.700 -0.155 0.000 0.816 1002 S N 0.706 116.489 115.700 0.138 0.000 2.847 1002 S HA 0.161 4.639 4.470 0.013 0.000 0.254 1002 S C 0.168 174.847 174.600 0.132 0.000 1.039 1002 S CA -0.321 57.928 58.200 0.081 0.000 1.113 1002 S CB -0.273 62.916 63.200 -0.018 0.000 1.092 1002 S HN 0.111 nan 8.310 nan 0.000 0.620 1003 V N 2.636 122.675 119.914 0.209 0.000 2.461 1003 V HA 0.439 4.567 4.120 0.013 0.000 0.275 1003 V C 0.794 177.033 176.094 0.242 0.000 1.047 1003 V CA -0.410 61.996 62.300 0.176 0.000 0.955 1003 V CB 1.191 33.056 31.823 0.070 0.000 0.988 1003 V HN 0.493 nan 8.190 nan 0.000 0.471 1004 S N 3.667 119.525 115.700 0.264 0.000 2.573 1004 S HA 0.300 4.778 4.470 0.013 0.000 0.277 1004 S C 1.531 176.276 174.600 0.242 0.000 1.346 1004 S CA 0.106 58.461 58.200 0.258 0.000 1.034 1004 S CB 1.140 64.526 63.200 0.310 0.000 0.879 1004 S HN 0.997 nan 8.310 nan 0.000 0.528 1005 A N 3.411 126.329 122.820 0.164 0.000 1.917 1005 A HA -0.153 4.175 4.320 0.013 0.000 0.219 1005 A C 2.018 179.635 177.584 0.055 0.000 1.182 1005 A CA 1.877 53.994 52.037 0.133 0.000 0.633 1005 A CB -0.732 18.324 19.000 0.093 0.000 0.819 1005 A HN 0.966 nan 8.150 nan 0.000 0.448 1006 E N -0.829 119.347 120.200 -0.041 0.000 2.401 1006 E HA -0.152 4.206 4.350 0.013 0.000 0.199 1006 E C 0.754 177.113 176.600 -0.401 0.000 1.023 1006 E CA 0.906 57.163 56.400 -0.239 0.000 0.859 1006 E CB -0.431 29.061 29.700 -0.345 0.000 0.780 1006 E HN 0.677 nan 8.360 nan 0.000 0.523 1007 F N 0.996 120.993 119.950 0.079 0.000 2.661 1007 F HA 0.277 4.811 4.527 0.013 0.000 0.306 1007 F C 0.825 176.657 175.800 0.054 0.000 1.094 1007 F CA -0.495 57.552 58.000 0.078 0.000 1.254 1007 F CB 0.570 39.617 39.000 0.079 0.000 1.040 1007 F HN -0.193 nan 8.300 nan 0.000 0.562 1008 Q N 1.360 121.257 119.800 0.163 0.000 2.235 1008 Q HA 0.386 4.734 4.340 0.013 0.000 0.250 1008 Q C -0.204 175.817 176.000 0.035 0.000 0.909 1008 Q CA -0.450 55.425 55.803 0.120 0.000 0.910 1008 Q CB 1.788 30.680 28.738 0.256 0.000 1.223 1008 Q HN 0.257 nan 8.270 nan 0.000 0.432 1009 L N 2.552 123.790 121.223 0.024 0.000 2.399 1009 L HA 0.099 4.447 4.340 0.013 0.000 0.257 1009 L C 0.672 177.523 176.870 -0.032 0.000 1.236 1009 L CA -0.060 54.788 54.840 0.013 0.000 1.144 1009 L CB -0.368 41.590 42.059 -0.168 0.000 1.379 1009 L HN 0.682 nan 8.230 nan 0.000 0.414 1010 S N -1.006 114.577 115.700 -0.194 0.000 2.568 1010 S HA 0.158 4.635 4.470 0.013 0.000 0.232 1010 S C 1.589 176.111 174.600 -0.130 0.000 0.975 1010 S CA 0.150 58.078 58.200 -0.452 0.000 0.949 1010 S CB 0.728 63.485 63.200 -0.740 0.000 0.829 1010 S HN 0.523 nan 8.310 nan 0.000 0.479 1011 A N 1.335 124.102 122.820 -0.090 0.000 2.172 1011 A HA 0.465 4.793 4.320 0.013 0.000 0.216 1011 A C 2.081 179.485 177.584 -0.299 0.000 1.154 1011 A CA 1.080 52.917 52.037 -0.333 0.000 0.701 1011 A CB -1.255 17.343 19.000 -0.669 0.000 0.789 1011 A HN 1.446 nan 8.150 nan 0.000 0.465 1012 G N -1.147 107.586 108.800 -0.111 0.000 2.708 1012 G HA2 -0.309 3.659 3.960 0.013 0.000 0.229 1012 G HA3 -0.309 3.659 3.960 0.013 0.000 0.229 1012 G C 0.469 175.345 174.900 -0.039 0.000 1.236 1012 G CA 0.494 45.584 45.100 -0.017 0.000 0.749 1012 G HN 0.691 nan 8.290 nan 0.000 0.515 1013 R N -0.546 119.804 120.500 -0.249 0.000 2.561 1013 R HA 0.684 5.032 4.340 0.013 0.000 0.297 1013 R C -1.558 174.499 176.300 -0.404 0.000 0.969 1013 R CA -0.595 55.412 56.100 -0.155 0.000 0.879 1013 R CB 1.587 31.837 30.300 -0.084 0.000 1.178 1013 R HN 0.260 nan 8.270 nan 0.000 0.445 1014 Y N 0.334 120.629 120.300 -0.008 0.000 2.477 1014 Y HA 0.335 4.893 4.550 0.013 0.000 0.347 1014 Y C -0.399 175.653 175.900 0.253 0.000 0.981 1014 Y CA -0.823 57.240 58.100 -0.061 0.000 1.033 1014 Y CB 2.164 40.461 38.460 -0.272 0.000 1.245 1014 Y HN 0.579 nan 8.280 nan 0.000 0.455 1015 H N 2.771 122.111 119.070 0.449 0.000 2.600 1015 H HA 0.612 5.176 4.556 0.013 0.000 0.357 1015 H C -1.715 174.005 175.328 0.653 0.000 1.106 1015 H CA -0.973 55.330 56.048 0.423 0.000 1.193 1015 H CB 1.195 31.107 29.762 0.249 0.000 1.594 1015 H HN 0.572 nan 8.280 nan 0.000 0.526 1016 Y N 1.186 121.239 120.300 -0.412 0.000 2.609 1016 Y HA 0.513 5.071 4.550 0.013 0.000 0.336 1016 Y C -2.056 173.602 175.900 -0.403 0.000 1.129 1016 Y CA -1.085 56.841 58.100 -0.290 0.000 1.040 1016 Y CB 1.415 39.842 38.460 -0.055 0.000 1.310 1016 Y HN 0.658 nan 8.280 nan 0.000 0.460 1017 Q N 3.672 123.422 119.800 -0.082 0.000 2.345 1017 Q HA 0.679 5.026 4.340 0.013 0.000 0.275 1017 Q C -1.995 174.088 176.000 0.138 0.000 1.063 1017 Q CA -1.081 54.699 55.803 -0.039 0.000 0.819 1017 Q CB 3.566 32.331 28.738 0.046 0.000 1.356 1017 Q HN 0.805 nan 8.270 nan 0.000 0.418 1018 L N 1.658 122.953 121.223 0.120 0.000 2.434 1018 L HA 0.640 4.988 4.340 0.013 0.000 0.260 1018 L C -1.456 175.531 176.870 0.195 0.000 0.983 1018 L CA -1.008 53.945 54.840 0.189 0.000 0.820 1018 L CB 2.682 44.829 42.059 0.147 0.000 1.361 1018 L HN 0.523 nan 8.230 nan 0.000 0.410 1019 V N 2.554 122.607 119.914 0.232 0.000 2.409 1019 V HA 0.389 4.517 4.120 0.013 0.000 0.291 1019 V C -0.983 175.268 176.094 0.261 0.000 1.020 1019 V CA -0.567 61.873 62.300 0.233 0.000 0.848 1019 V CB 2.044 33.979 31.823 0.187 0.000 0.990 1019 V HN 0.614 nan 8.190 nan 0.000 0.430 1020 W N 6.804 128.149 121.300 0.076 0.000 2.475 1020 W HA 0.723 5.391 4.660 0.013 0.000 0.317 1020 W C -0.250 176.260 176.519 -0.015 0.000 1.046 1020 W CA -1.164 56.132 57.345 -0.081 0.000 1.215 1020 W CB 1.488 30.958 29.460 0.017 0.000 1.335 1020 W HN 0.860 nan 8.180 nan 0.000 0.471 1021 C N 4.096 123.600 119.300 0.340 0.000 3.291 1021 C HA 0.823 5.291 4.460 0.013 0.000 0.316 1021 C C -0.687 174.403 174.990 0.167 0.000 1.391 1021 C CA -0.870 58.283 59.018 0.226 0.000 1.394 1021 C CB 1.471 29.302 27.740 0.153 0.000 1.744 1021 C HN 0.710 nan 8.230 nan 0.000 0.461 1022 Q N 1.990 121.840 119.800 0.083 0.000 2.312 1022 Q HA 0.907 5.255 4.340 0.013 0.000 0.263 1022 Q C -0.831 175.157 176.000 -0.021 0.000 0.995 1022 Q CA 0.009 55.808 55.803 -0.007 0.000 0.853 1022 Q CB 1.139 29.830 28.738 -0.079 0.000 1.300 1022 Q HN 0.872 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.369 120.400 -0.052 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 1023 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543