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 1xdo_1_A DATA FIRST_RESID 2 DATA SEQUENCE GQEKLYIEKE LSWLSFNERV LQEAADKSNP LIERMRFLGI YSNNLDEFYK DATA SEQUENCE VRFAELKRRI IISEEQGSNS HSRHLLGKIQ SRVLKADQEF DGLYNELLLE DATA SEQUENCE MARNQIFLIN ERQLSVNQQN WLRHYFKQYL RQHITPILIN PDTDLVQFLK DATA SEQUENCE DDYTYLAVEI IRGDTIRYAL LEIPSDKVPR FVNLPPEAPR RRKPMILLDN DATA SEQUENCE ILRYCLDDIF KGFFDYDALN AYSMKMTRDA EYDLVHEMEA SLMELMSSSL DATA SEQUENCE KQRLTAEPVR FVYQRDMPNA LVEVLREKLT ISRYDSIVPG GRYHNFKDFI DATA SEQUENCE NFPNVGKANL VNKPLPRLRH IWFDKAQFRN GFDAIRERDV LLYYPYHTFE DATA SEQUENCE HVLELLRQAS FDPSVLAIKI NIYRVAKDSR IIDSMIHAAH NGKKVTVVVE DATA SEQUENCE LQARFDEEAN IHWAKRLTEA GVHVIFSAPG LKIHAKLFLI SRKENGEVVR DATA SEQUENCE YAHIGTGNFN EKTARLYTDY SLLTADARIT NEVRRVFNFI ENPYRPVTFD DATA SEQUENCE YLMVSPQNSR RLLYEMVDRE IANAQQGLPS GITLKLNNLV DKGLVDRLYA DATA SEQUENCE ASSSGVPVNL LVRGMCSLIP NLEGISDNIR AISIVDRYLE HDRVYIFENG DATA SEQUENCE GDKKVYLSSA DWMTRNIDYR IEVATPLLDP RLKQRVLDII DILFSDTVKA DATA SEQUENCE RYIDKELSNR YVPRGNRRKV RAQLAIYDYI KSLEQPE 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.820 174.900 -0.133 0.000 0.946 2 G CA 0.000 45.006 45.100 -0.157 0.000 0.502 3 Q N 0.389 120.141 119.800 -0.079 0.000 1.914 3 Q HA 0.183 4.523 4.340 -0.000 0.000 0.153 3 Q C -0.242 175.731 176.000 -0.044 0.000 0.517 3 Q CA -0.207 55.559 55.803 -0.061 0.000 0.790 3 Q CB 1.327 30.036 28.738 -0.048 0.000 0.992 3 Q HN 0.564 nan 8.270 nan 0.000 0.318 4 E N 2.191 122.367 120.200 -0.040 0.000 2.376 4 E HA 0.245 4.595 4.350 -0.000 0.000 0.236 4 E C -1.335 175.240 176.600 -0.042 0.000 0.962 4 E CA -0.267 56.109 56.400 -0.040 0.000 0.768 4 E CB 0.978 30.648 29.700 -0.051 0.000 1.236 4 E HN 0.042 nan 8.360 nan 0.000 0.431 5 K N 1.964 122.354 120.400 -0.016 0.000 2.386 5 K HA -0.183 4.137 4.320 -0.000 0.000 0.255 5 K C 0.677 177.249 176.600 -0.046 0.000 1.134 5 K CA -0.001 56.291 56.287 0.010 0.000 1.203 5 K CB 0.352 32.877 32.500 0.042 0.000 0.768 5 K HN 0.383 nan 8.250 nan 0.000 0.501 6 L N 4.939 126.109 121.223 -0.088 0.000 2.375 6 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 6 L C -0.207 176.403 176.870 -0.433 0.000 1.108 6 L CA 1.270 55.900 54.840 -0.351 0.000 0.830 6 L CB 0.142 41.895 42.059 -0.510 0.000 0.959 6 L HN 0.512 nan 8.230 nan 0.000 0.457 7 Y N -2.545 117.838 120.300 0.138 0.000 2.705 7 Y HA 0.592 5.142 4.550 -0.000 0.000 0.332 7 Y C -0.261 175.711 175.900 0.121 0.000 1.157 7 Y CA -1.376 56.826 58.100 0.171 0.000 1.091 7 Y CB 0.982 39.536 38.460 0.157 0.000 1.301 7 Y HN -0.484 nan 8.280 nan 0.000 0.488 8 I N 0.446 121.195 120.570 0.298 0.000 2.404 8 I HA 0.290 4.460 4.170 -0.000 0.000 0.293 8 I C -0.179 176.050 176.117 0.187 0.000 0.992 8 I CA -1.386 60.034 61.300 0.200 0.000 1.149 8 I CB 1.229 39.327 38.000 0.164 0.000 1.315 8 I HN 0.530 nan 8.210 nan 0.000 0.446 9 E N 3.947 124.246 120.200 0.166 0.000 2.493 9 E HA -0.046 4.304 4.350 -0.000 0.000 0.255 9 E C 1.311 178.013 176.600 0.170 0.000 0.999 9 E CA 0.075 56.567 56.400 0.154 0.000 0.934 9 E CB 0.711 30.502 29.700 0.152 0.000 0.940 9 E HN 0.758 nan 8.360 nan 0.000 0.473 10 K N 3.208 123.704 120.400 0.159 0.000 2.160 10 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 10 K C 1.056 177.817 176.600 0.268 0.000 1.047 10 K CA 1.535 57.936 56.287 0.189 0.000 0.930 10 K CB 0.049 32.641 32.500 0.154 0.000 0.720 10 K HN 0.158 nan 8.250 nan 0.000 0.450 11 E N 1.061 121.418 120.200 0.262 0.000 2.150 11 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 11 E C 1.929 178.776 176.600 0.412 0.000 0.985 11 E CA 1.029 57.658 56.400 0.381 0.000 0.814 11 E CB -0.082 29.805 29.700 0.312 0.000 0.752 11 E HN 0.310 nan 8.360 nan 0.000 0.466 12 L N -0.270 121.125 121.223 0.287 0.000 2.131 12 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 12 L C 2.414 179.405 176.870 0.201 0.000 1.087 12 L CA 0.881 55.857 54.840 0.226 0.000 0.767 12 L CB -0.335 41.829 42.059 0.175 0.000 0.917 12 L HN 0.124 nan 8.230 nan 0.000 0.441 13 S N -0.672 115.155 115.700 0.212 0.000 2.399 13 S HA -0.256 4.214 4.470 -0.000 0.000 0.231 13 S C 1.737 176.455 174.600 0.196 0.000 1.022 13 S CA 1.236 59.541 58.200 0.175 0.000 0.983 13 S CB -0.326 62.978 63.200 0.173 0.000 0.803 13 S HN 0.540 nan 8.310 nan 0.000 0.480 14 W N 1.564 122.941 121.300 0.129 0.000 2.409 14 W HA 0.078 4.738 4.660 -0.000 0.000 0.299 14 W C 1.811 178.351 176.519 0.034 0.000 1.203 14 W CA 0.999 58.435 57.345 0.151 0.000 1.298 14 W CB -0.348 29.227 29.460 0.192 0.000 1.127 14 W HN 0.242 nan 8.180 nan 0.000 0.528 15 L N -0.058 121.299 121.223 0.222 0.000 2.042 15 L HA -0.295 4.045 4.340 -0.000 0.000 0.210 15 L C 2.755 179.496 176.870 -0.215 0.000 1.076 15 L CA 1.819 56.631 54.840 -0.047 0.000 0.749 15 L CB -1.265 40.797 42.059 0.006 0.000 0.893 15 L HN -0.006 nan 8.230 nan 0.000 0.432 16 S N -0.423 115.215 115.700 -0.103 0.000 2.382 16 S HA -0.228 4.242 4.470 -0.000 0.000 0.228 16 S C 1.914 176.371 174.600 -0.238 0.000 1.027 16 S CA 1.313 59.440 58.200 -0.121 0.000 0.991 16 S CB -0.336 62.844 63.200 -0.034 0.000 0.823 16 S HN 0.442 nan 8.310 nan 0.000 0.469 17 F N 3.042 122.765 119.950 -0.379 0.000 2.102 17 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 17 F C 1.976 177.452 175.800 -0.541 0.000 1.105 17 F CA 2.021 59.744 58.000 -0.462 0.000 1.239 17 F CB -1.044 37.606 39.000 -0.583 0.000 0.991 17 F HN 0.272 nan 8.300 nan 0.000 0.474 18 N N 0.682 118.489 118.700 -1.488 0.000 2.309 18 N HA -0.218 4.522 4.740 -0.000 0.000 0.182 18 N C 1.837 177.026 175.510 -0.535 0.000 1.018 18 N CA 1.363 53.658 53.050 -1.259 0.000 0.876 18 N CB -0.440 37.302 38.487 -1.242 0.000 0.972 18 N HN 0.678 nan 8.380 nan 0.000 0.434 19 E N -0.008 119.949 120.200 -0.405 0.000 2.106 19 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 19 E C 2.004 178.436 176.600 -0.280 0.000 0.984 19 E CA 0.687 56.969 56.400 -0.196 0.000 0.806 19 E CB -0.004 29.600 29.700 -0.160 0.000 0.750 19 E HN 0.280 nan 8.360 nan 0.000 0.458 20 R N -0.148 120.113 120.500 -0.399 0.000 2.096 20 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 20 R C 2.352 178.415 176.300 -0.395 0.000 1.127 20 R CA 1.292 57.163 56.100 -0.382 0.000 0.968 20 R CB -0.087 29.986 30.300 -0.379 0.000 0.861 20 R HN 0.123 nan 8.270 nan 0.000 0.440 21 V N 1.091 120.715 119.914 -0.484 0.000 2.343 21 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 21 V C 2.258 178.199 176.094 -0.256 0.000 1.051 21 V CA 1.525 63.617 62.300 -0.347 0.000 1.036 21 V CB -0.400 31.256 31.823 -0.278 0.000 0.654 21 V HN 0.376 nan 8.190 nan 0.000 0.451 22 L N -0.380 120.726 121.223 -0.194 0.000 2.083 22 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 22 L C 2.728 179.427 176.870 -0.285 0.000 1.083 22 L CA 1.656 56.320 54.840 -0.293 0.000 0.752 22 L CB -0.376 41.425 42.059 -0.431 0.000 0.899 22 L HN 0.432 nan 8.230 nan 0.000 0.433 23 Q N -0.622 119.025 119.800 -0.255 0.000 2.308 23 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 23 Q C 1.850 177.708 176.000 -0.236 0.000 0.985 23 Q CA 1.157 56.849 55.803 -0.185 0.000 0.881 23 Q CB 0.046 28.709 28.738 -0.126 0.000 0.917 23 Q HN 0.452 nan 8.270 nan 0.000 0.443 24 E N 0.181 120.126 120.200 -0.426 0.000 2.152 24 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 24 E C 1.864 178.167 176.600 -0.496 0.000 0.983 24 E CA 0.968 56.962 56.400 -0.678 0.000 0.818 24 E CB -0.129 28.621 29.700 -1.583 0.000 0.758 24 E HN 0.357 nan 8.360 nan 0.000 0.467 25 A N 1.121 123.739 122.820 -0.337 0.000 1.969 25 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 25 A C 2.304 179.798 177.584 -0.150 0.000 1.169 25 A CA 1.741 53.697 52.037 -0.135 0.000 0.635 25 A CB -0.281 18.645 19.000 -0.124 0.000 0.810 25 A HN 0.244 nan 8.150 nan 0.000 0.445 26 A N -0.343 122.368 122.820 -0.181 0.000 1.878 26 A HA 0.053 4.373 4.320 -0.000 0.000 0.213 26 A C 1.053 178.555 177.584 -0.137 0.000 1.192 26 A CA 0.764 52.709 52.037 -0.153 0.000 0.619 26 A CB -0.507 18.405 19.000 -0.146 0.000 0.837 26 A HN 0.382 nan 8.150 nan 0.000 0.446 27 D N 0.828 121.141 120.400 -0.145 0.000 2.660 27 D HA -0.060 4.580 4.640 -0.000 0.000 0.253 27 D C 0.744 176.971 176.300 -0.123 0.000 1.256 27 D CA 0.277 54.191 54.000 -0.143 0.000 0.914 27 D CB 0.380 41.092 40.800 -0.145 0.000 1.137 27 D HN 0.153 nan 8.370 nan 0.000 0.542 28 K N 1.916 122.245 120.400 -0.120 0.000 2.442 28 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 28 K C 1.764 178.311 176.600 -0.087 0.000 1.042 28 K CA 0.571 56.798 56.287 -0.099 0.000 0.958 28 K CB -0.250 32.191 32.500 -0.099 0.000 0.766 28 K HN 0.488 nan 8.250 nan 0.000 0.474 29 S N 0.560 116.202 115.700 -0.097 0.000 2.515 29 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 29 S C 0.673 175.238 174.600 -0.058 0.000 0.987 29 S CA -0.028 58.124 58.200 -0.081 0.000 0.936 29 S CB -0.162 62.981 63.200 -0.095 0.000 0.766 29 S HN 0.118 nan 8.310 nan 0.000 0.528 30 N N 2.833 121.503 118.700 -0.050 0.000 2.487 30 N HA 0.472 5.212 4.740 -0.000 0.000 0.292 30 N C -3.017 172.487 175.510 -0.010 0.000 1.108 30 N CA -1.846 51.198 53.050 -0.010 0.000 0.956 30 N CB 0.877 39.382 38.487 0.030 0.000 1.176 30 N HN 0.098 nan 8.380 nan 0.000 0.484 31 P HA -0.022 nan 4.420 nan 0.000 0.268 31 P C 1.186 178.478 177.300 -0.013 0.000 1.208 31 P CA -0.351 62.740 63.100 -0.013 0.000 0.777 31 P CB 0.721 32.415 31.700 -0.010 0.000 0.875 32 L N 4.102 125.303 121.223 -0.036 0.000 1.990 32 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 32 L C 2.324 179.162 176.870 -0.053 0.000 1.072 32 L CA 2.138 56.944 54.840 -0.057 0.000 0.755 32 L CB -1.021 40.990 42.059 -0.080 0.000 0.889 32 L HN 0.209 nan 8.230 nan 0.000 0.432 33 I N -0.829 119.721 120.570 -0.034 0.000 2.361 33 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 33 I C 2.642 178.757 176.117 -0.004 0.000 1.133 33 I CA 0.949 62.240 61.300 -0.014 0.000 1.413 33 I CB -1.266 36.750 38.000 0.027 0.000 1.073 33 I HN 0.407 nan 8.210 nan 0.000 0.424 34 E N 0.402 120.607 120.200 0.009 0.000 2.110 34 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 34 E C 2.419 179.100 176.600 0.134 0.000 0.988 34 E CA 1.077 57.490 56.400 0.021 0.000 0.804 34 E CB -0.398 29.336 29.700 0.057 0.000 0.745 34 E HN 0.574 nan 8.360 nan 0.000 0.458 35 R N -0.316 120.274 120.500 0.150 0.000 2.115 35 R HA -0.009 4.331 4.340 -0.000 0.000 0.230 35 R C 2.337 178.723 176.300 0.144 0.000 1.111 35 R CA 0.862 57.079 56.100 0.195 0.000 0.976 35 R CB -0.098 30.230 30.300 0.046 0.000 0.870 35 R HN 0.155 nan 8.270 nan 0.000 0.445 36 M N 0.332 119.952 119.600 0.032 0.000 2.067 36 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 36 M C 2.094 178.497 176.300 0.172 0.000 1.069 36 M CA 1.727 57.033 55.300 0.010 0.000 1.117 36 M CB -0.886 31.515 32.600 -0.331 0.000 1.334 36 M HN 0.068 nan 8.290 nan 0.000 0.407 37 R N -0.978 119.576 120.500 0.091 0.000 2.127 37 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 37 R C 2.198 178.552 176.300 0.089 0.000 1.134 37 R CA 1.320 57.472 56.100 0.086 0.000 0.975 37 R CB -0.582 29.690 30.300 -0.046 0.000 0.865 37 R HN 0.250 nan 8.270 nan 0.000 0.447 38 F N 0.990 121.005 119.950 0.109 0.000 2.102 38 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 38 F C 2.258 178.164 175.800 0.177 0.000 1.105 38 F CA 1.115 59.177 58.000 0.103 0.000 1.239 38 F CB -0.213 38.806 39.000 0.032 0.000 0.991 38 F HN -0.060 nan 8.300 nan 0.000 0.474 39 L N -0.444 121.004 121.223 0.374 0.000 2.089 39 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 39 L C 2.661 179.831 176.870 0.501 0.000 1.079 39 L CA 1.419 56.491 54.840 0.388 0.000 0.758 39 L CB -1.348 40.880 42.059 0.282 0.000 0.891 39 L HN 0.293 nan 8.230 nan 0.000 0.433 40 G N -0.418 108.648 108.800 0.443 0.000 2.402 40 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 40 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 40 G C 1.640 176.723 174.900 0.306 0.000 1.162 40 G CA 0.868 46.206 45.100 0.397 0.000 0.777 40 G HN 0.181 nan 8.290 nan 0.000 0.539 41 I N -0.094 120.639 120.570 0.273 0.000 2.127 41 I HA -0.158 4.012 4.170 -0.000 0.000 0.241 41 I C 2.396 178.671 176.117 0.263 0.000 1.075 41 I CA 1.343 62.784 61.300 0.235 0.000 1.334 41 I CB -1.307 36.837 38.000 0.239 0.000 1.040 41 I HN 0.472 nan 8.210 nan 0.000 0.405 42 Y N 1.589 122.007 120.300 0.198 0.000 2.114 42 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 42 Y C 2.768 178.747 175.900 0.131 0.000 1.165 42 Y CA 2.263 60.445 58.100 0.137 0.000 1.148 42 Y CB -0.544 38.016 38.460 0.167 0.000 0.972 42 Y HN 0.224 nan 8.280 nan 0.000 0.504 43 S N 0.056 115.893 115.700 0.229 0.000 2.356 43 S HA -0.215 4.255 4.470 -0.000 0.000 0.223 43 S C 1.775 176.417 174.600 0.069 0.000 1.032 43 S CA 1.407 59.652 58.200 0.075 0.000 1.005 43 S CB -0.619 62.684 63.200 0.171 0.000 0.867 43 S HN 0.602 nan 8.310 nan 0.000 0.449 44 N N 1.791 120.571 118.700 0.133 0.000 2.289 44 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 44 N C 1.358 176.936 175.510 0.115 0.000 1.016 44 N CA 1.047 54.172 53.050 0.125 0.000 0.872 44 N CB -0.200 38.369 38.487 0.137 0.000 0.973 44 N HN 0.232 nan 8.380 nan 0.000 0.433 45 N N 0.219 118.997 118.700 0.131 0.000 2.092 45 N HA -0.102 4.638 4.740 -0.000 0.000 0.189 45 N C 1.486 177.121 175.510 0.208 0.000 1.040 45 N CA 0.566 53.763 53.050 0.245 0.000 0.845 45 N CB -0.772 37.922 38.487 0.344 0.000 1.017 45 N HN 0.194 nan 8.380 nan 0.000 0.426 46 L N 1.854 123.124 121.223 0.078 0.000 2.127 46 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 46 L C 1.304 178.211 176.870 0.062 0.000 1.089 46 L CA 1.707 56.536 54.840 -0.018 0.000 0.757 46 L CB -0.884 41.063 42.059 -0.187 0.000 0.899 46 L HN 0.046 nan 8.230 nan 0.000 0.434 47 D N -0.786 119.671 120.400 0.096 0.000 2.097 47 D HA -0.209 4.431 4.640 -0.000 0.000 0.195 47 D C 2.127 178.500 176.300 0.121 0.000 0.989 47 D CA 1.192 55.279 54.000 0.145 0.000 0.827 47 D CB 0.114 40.988 40.800 0.122 0.000 0.966 47 D HN 0.327 nan 8.370 nan 0.000 0.456 48 E N -1.009 119.225 120.200 0.056 0.000 2.274 48 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 48 E C 1.555 178.105 176.600 -0.083 0.000 0.996 48 E CA 0.193 56.583 56.400 -0.017 0.000 0.840 48 E CB -0.256 29.394 29.700 -0.082 0.000 0.772 48 E HN 0.254 nan 8.360 nan 0.000 0.491 49 F N -0.456 119.278 119.950 -0.359 0.000 2.102 49 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 49 F C 1.478 177.052 175.800 -0.377 0.000 1.105 49 F CA 1.597 59.207 58.000 -0.650 0.000 1.239 49 F CB -0.382 38.002 39.000 -1.028 0.000 0.991 49 F HN 0.113 nan 8.300 nan 0.000 0.474 50 Y N 0.044 120.282 120.300 -0.104 0.000 2.337 50 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 50 Y C 2.389 178.281 175.900 -0.014 0.000 1.123 50 Y CA 1.079 59.121 58.100 -0.097 0.000 1.201 50 Y CB -0.272 38.151 38.460 -0.063 0.000 1.011 50 Y HN -0.065 nan 8.280 nan 0.000 0.545 51 K N -0.613 119.876 120.400 0.150 0.000 2.148 51 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 51 K C 1.281 177.935 176.600 0.090 0.000 1.050 51 K CA 1.350 57.720 56.287 0.138 0.000 0.942 51 K CB 0.061 32.663 32.500 0.170 0.000 0.724 51 K HN 0.129 nan 8.250 nan 0.000 0.446 52 V N -0.527 119.388 119.914 0.001 0.000 3.949 52 V HA 0.032 4.152 4.120 -0.000 0.000 0.195 52 V C 1.725 177.738 176.094 -0.134 0.000 1.114 52 V CA -0.053 62.230 62.300 -0.027 0.000 1.384 52 V CB -0.577 31.239 31.823 -0.012 0.000 1.685 52 V HN -0.026 nan 8.190 nan 0.000 0.492 53 R N -0.335 120.014 120.500 -0.250 0.000 2.140 53 R HA -0.248 4.092 4.340 -0.000 0.000 0.250 53 R C 2.106 178.166 176.300 -0.400 0.000 1.150 53 R CA 2.555 58.455 56.100 -0.333 0.000 0.966 53 R CB -0.531 29.504 30.300 -0.442 0.000 0.869 53 R HN 0.502 nan 8.270 nan 0.000 0.445 54 F N 0.425 119.933 119.950 -0.737 0.000 2.206 54 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 54 F C 2.167 177.825 175.800 -0.237 0.000 1.090 54 F CA 1.127 58.781 58.000 -0.577 0.000 1.323 54 F CB -0.281 38.331 39.000 -0.646 0.000 1.028 54 F HN -0.000 nan 8.300 nan 0.000 0.492 55 A N -0.398 122.359 122.820 -0.105 0.000 1.969 55 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 55 A C 2.223 179.716 177.584 -0.151 0.000 1.169 55 A CA 1.696 53.681 52.037 -0.088 0.000 0.635 55 A CB -0.838 18.173 19.000 0.019 0.000 0.810 55 A HN 0.524 nan 8.150 nan 0.000 0.445 56 E N -0.642 119.469 120.200 -0.147 0.000 2.047 56 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 56 E C 1.925 178.426 176.600 -0.165 0.000 0.987 56 E CA 1.215 57.546 56.400 -0.114 0.000 0.799 56 E CB -0.176 29.471 29.700 -0.089 0.000 0.752 56 E HN 0.447 nan 8.360 nan 0.000 0.449 57 L N 1.647 122.722 121.223 -0.246 0.000 2.042 57 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 57 L C 2.007 178.709 176.870 -0.280 0.000 1.076 57 L CA 1.848 56.537 54.840 -0.252 0.000 0.749 57 L CB -0.287 41.587 42.059 -0.310 0.000 0.893 57 L HN -0.003 nan 8.230 nan 0.000 0.432 58 K N -0.740 119.420 120.400 -0.399 0.000 2.000 58 K HA -0.237 4.083 4.320 -0.000 0.000 0.218 58 K C 2.114 178.600 176.600 -0.190 0.000 1.053 58 K CA 2.163 58.262 56.287 -0.315 0.000 0.946 58 K CB -0.393 31.931 32.500 -0.294 0.000 0.723 58 K HN 0.334 nan 8.250 nan 0.000 0.446 59 R N 0.758 121.155 120.500 -0.172 0.000 2.112 59 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 59 R C 2.470 178.697 176.300 -0.122 0.000 1.137 59 R CA 1.727 57.735 56.100 -0.153 0.000 0.944 59 R CB -0.486 29.716 30.300 -0.163 0.000 0.857 59 R HN 0.263 nan 8.270 nan 0.000 0.435 60 R N 0.211 120.649 120.500 -0.104 0.000 2.083 60 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 60 R C 2.458 178.720 176.300 -0.063 0.000 1.137 60 R CA 1.836 57.893 56.100 -0.071 0.000 0.951 60 R CB -0.572 29.692 30.300 -0.060 0.000 0.851 60 R HN 0.120 nan 8.270 nan 0.000 0.434 61 I N -0.049 120.475 120.570 -0.078 0.000 2.361 61 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 61 I C 2.580 178.662 176.117 -0.058 0.000 1.133 61 I CA 0.777 62.041 61.300 -0.059 0.000 1.413 61 I CB -0.814 37.143 38.000 -0.072 0.000 1.073 61 I HN 0.153 nan 8.210 nan 0.000 0.424 62 I N -0.465 120.058 120.570 -0.078 0.000 2.193 62 I HA -0.140 4.030 4.170 -0.000 0.000 0.240 62 I C 2.692 178.769 176.117 -0.067 0.000 1.084 62 I CA 1.210 62.465 61.300 -0.075 0.000 1.365 62 I CB -0.788 37.153 38.000 -0.099 0.000 1.064 62 I HN 0.385 nan 8.210 nan 0.000 0.410 63 I N -0.105 120.420 120.570 -0.074 0.000 2.300 63 I HA -0.285 3.885 4.170 -0.000 0.000 0.252 63 I C 2.729 178.825 176.117 -0.035 0.000 1.119 63 I CA 1.840 63.106 61.300 -0.057 0.000 1.384 63 I CB -1.484 36.485 38.000 -0.052 0.000 1.062 63 I HN 0.529 nan 8.210 nan 0.000 0.426 64 S N -0.809 114.872 115.700 -0.031 0.000 2.344 64 S HA -0.209 4.261 4.470 -0.000 0.000 0.217 64 S C 1.732 176.323 174.600 -0.015 0.000 1.033 64 S CA 1.784 59.975 58.200 -0.015 0.000 1.017 64 S CB -0.281 62.913 63.200 -0.009 0.000 0.941 64 S HN 0.734 nan 8.310 nan 0.000 0.430 65 E N 0.800 120.987 120.200 -0.021 0.000 1.927 65 E HA -0.290 4.060 4.350 -0.000 0.000 0.221 65 E C 1.784 178.372 176.600 -0.021 0.000 0.965 65 E CA 1.371 57.759 56.400 -0.021 0.000 0.881 65 E CB -0.478 29.205 29.700 -0.029 0.000 0.810 65 E HN 0.589 nan 8.360 nan 0.000 0.569 66 E N 0.032 120.215 120.200 -0.029 0.000 2.980 66 E HA -0.479 3.871 4.350 -0.000 0.000 0.225 66 E C 1.792 178.381 176.600 -0.019 0.000 0.998 66 E CA 2.731 59.114 56.400 -0.029 0.000 1.773 66 E CB -0.385 29.294 29.700 -0.035 0.000 1.664 66 E HN 0.473 nan 8.360 nan 0.000 0.401 67 Q N -1.518 118.274 119.800 -0.013 0.000 2.330 67 Q HA 0.186 4.526 4.340 -0.000 0.000 0.254 67 Q C 0.162 176.161 176.000 -0.002 0.000 0.777 67 Q CA 0.680 56.479 55.803 -0.007 0.000 0.972 67 Q CB 1.582 30.317 28.738 -0.005 0.000 1.236 67 Q HN 0.249 nan 8.270 nan 0.000 0.508 68 G N 1.719 110.518 108.800 -0.002 0.000 3.982 68 G HA2 0.238 4.198 3.960 -0.000 0.000 0.274 68 G HA3 0.238 4.198 3.960 -0.000 0.000 0.274 68 G C -0.959 173.945 174.900 0.007 0.000 1.847 68 G CA -0.292 44.811 45.100 0.004 0.000 0.608 68 G HN 0.117 nan 8.290 nan 0.000 0.407 69 S N 1.149 116.852 115.700 0.006 0.000 2.455 69 S HA 0.351 4.821 4.470 -0.000 0.000 0.278 69 S C 0.214 174.829 174.600 0.025 0.000 1.216 69 S CA -0.707 57.498 58.200 0.010 0.000 1.055 69 S CB 1.205 64.407 63.200 0.002 0.000 0.939 69 S HN 0.403 nan 8.310 nan 0.000 0.494 70 N N 2.179 120.899 118.700 0.033 0.000 2.642 70 N HA 0.205 4.945 4.740 -0.000 0.000 0.308 70 N C -1.010 174.542 175.510 0.069 0.000 1.914 70 N CA -0.217 52.863 53.050 0.050 0.000 0.893 70 N CB 1.170 39.681 38.487 0.040 0.000 1.322 70 N HN 0.764 nan 8.380 nan 0.000 0.490 71 S N -1.009 114.744 115.700 0.088 0.000 2.543 71 S HA 0.242 4.712 4.470 -0.000 0.000 0.271 71 S C -0.600 174.103 174.600 0.172 0.000 1.148 71 S CA -0.656 57.614 58.200 0.116 0.000 0.914 71 S CB 1.362 64.608 63.200 0.078 0.000 1.096 71 S HN 0.169 nan 8.310 nan 0.000 0.471 72 H N 2.810 121.896 119.070 0.027 0.000 4.288 72 H HA 0.194 4.750 4.556 -0.000 0.000 0.184 72 H C 1.850 177.287 175.328 0.181 0.000 1.451 72 H CA 0.384 56.463 56.048 0.052 0.000 1.364 72 H CB -0.609 29.050 29.762 -0.172 0.000 1.615 72 H HN 0.793 nan 8.280 nan 0.000 0.800 73 S N 0.348 116.152 115.700 0.174 0.000 2.359 73 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 73 S C 2.083 176.742 174.600 0.099 0.000 1.039 73 S CA 0.785 59.051 58.200 0.110 0.000 1.042 73 S CB 0.147 63.374 63.200 0.045 0.000 0.915 73 S HN 0.415 nan 8.310 nan 0.000 0.439 74 R N 0.838 121.375 120.500 0.061 0.000 2.280 74 R HA 0.125 4.465 4.340 -0.000 0.000 0.207 74 R C 1.848 178.097 176.300 -0.085 0.000 1.043 74 R CA 0.780 56.858 56.100 -0.037 0.000 1.006 74 R CB -0.731 29.496 30.300 -0.123 0.000 0.885 74 R HN 0.721 nan 8.270 nan 0.000 0.467 75 H N -0.556 118.533 119.070 0.031 0.000 2.497 75 H HA 0.018 4.574 4.556 -0.000 0.000 0.282 75 H C 1.802 177.194 175.328 0.106 0.000 1.003 75 H CA 0.559 56.655 56.048 0.080 0.000 1.307 75 H CB 0.363 30.213 29.762 0.147 0.000 1.437 75 H HN 0.038 nan 8.280 nan 0.000 0.544 76 L N 0.650 122.010 121.223 0.229 0.000 2.102 76 L HA -0.058 4.282 4.340 -0.000 0.000 0.202 76 L C 2.093 179.068 176.870 0.176 0.000 1.076 76 L CA 0.951 55.904 54.840 0.188 0.000 0.761 76 L CB -0.643 41.516 42.059 0.166 0.000 0.921 76 L HN 0.042 nan 8.230 nan 0.000 0.444 77 L N 0.302 121.616 121.223 0.151 0.000 1.997 77 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 77 L C 2.524 179.506 176.870 0.187 0.000 1.074 77 L CA 2.244 57.195 54.840 0.185 0.000 0.763 77 L CB -2.193 39.941 42.059 0.124 0.000 0.890 77 L HN 0.498 nan 8.230 nan 0.000 0.434 78 G N -0.464 108.408 108.800 0.121 0.000 2.514 78 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 78 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 78 G C 1.728 176.700 174.900 0.120 0.000 1.198 78 G CA 0.792 45.952 45.100 0.099 0.000 0.780 78 G HN 0.341 nan 8.290 nan 0.000 0.565 79 K N -0.196 120.284 120.400 0.133 0.000 2.089 79 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 79 K C 2.650 179.339 176.600 0.148 0.000 1.048 79 K CA 1.607 57.973 56.287 0.132 0.000 0.926 79 K CB -0.493 32.093 32.500 0.143 0.000 0.714 79 K HN 0.309 nan 8.250 nan 0.000 0.448 80 I N 1.052 121.738 120.570 0.194 0.000 2.099 80 I HA -0.267 3.903 4.170 -0.000 0.000 0.239 80 I C 2.617 178.844 176.117 0.184 0.000 1.066 80 I CA 1.665 63.108 61.300 0.238 0.000 1.324 80 I CB -0.900 37.329 38.000 0.381 0.000 1.037 80 I HN 0.415 nan 8.210 nan 0.000 0.401 81 Q N -0.476 119.426 119.800 0.171 0.000 2.436 81 Q HA -0.163 4.177 4.340 -0.000 0.000 0.209 81 Q C 2.319 178.371 176.000 0.086 0.000 0.965 81 Q CA 1.411 57.284 55.803 0.117 0.000 0.910 81 Q CB -0.110 28.689 28.738 0.103 0.000 0.980 81 Q HN 0.625 nan 8.270 nan 0.000 0.491 82 S N -0.503 115.249 115.700 0.088 0.000 2.414 82 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 82 S C 1.690 176.326 174.600 0.060 0.000 1.022 82 S CA 0.572 58.812 58.200 0.066 0.000 0.958 82 S CB 0.123 63.363 63.200 0.067 0.000 0.797 82 S HN 0.313 nan 8.310 nan 0.000 0.493 83 R N 0.645 121.187 120.500 0.071 0.000 2.090 83 R HA 0.131 4.471 4.340 -0.000 0.000 0.228 83 R C 2.156 178.484 176.300 0.046 0.000 1.110 83 R CA 1.153 57.286 56.100 0.055 0.000 0.973 83 R CB -0.858 29.480 30.300 0.062 0.000 0.869 83 R HN 0.295 nan 8.270 nan 0.000 0.440 84 V N 0.819 120.765 119.914 0.054 0.000 2.307 84 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 84 V C 2.208 178.332 176.094 0.050 0.000 1.045 84 V CA 1.637 63.967 62.300 0.049 0.000 1.024 84 V CB -0.516 31.354 31.823 0.078 0.000 0.651 84 V HN 0.227 nan 8.190 nan 0.000 0.449 85 L N 0.024 121.274 121.223 0.044 0.000 2.017 85 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 85 L C 2.623 179.509 176.870 0.027 0.000 1.073 85 L CA 2.205 57.062 54.840 0.028 0.000 0.745 85 L CB -0.738 41.334 42.059 0.022 0.000 0.894 85 L HN 0.342 nan 8.230 nan 0.000 0.432 86 K N 0.418 120.836 120.400 0.030 0.000 2.103 86 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 86 K C 2.058 178.675 176.600 0.028 0.000 1.048 86 K CA 1.462 57.764 56.287 0.025 0.000 0.930 86 K CB -0.039 32.475 32.500 0.024 0.000 0.716 86 K HN 0.290 nan 8.250 nan 0.000 0.444 87 A N 1.012 123.859 122.820 0.044 0.000 1.854 87 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 87 A C 1.846 179.484 177.584 0.090 0.000 1.192 87 A CA 1.846 53.926 52.037 0.071 0.000 0.611 87 A CB -0.837 18.237 19.000 0.123 0.000 0.832 87 A HN 0.516 nan 8.150 nan 0.000 0.442 88 D N -0.808 119.637 120.400 0.074 0.000 2.133 88 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 88 D C 2.093 178.431 176.300 0.064 0.000 0.997 88 D CA 1.597 55.624 54.000 0.044 0.000 0.840 88 D CB 0.014 40.804 40.800 -0.016 0.000 0.947 88 D HN 0.357 nan 8.370 nan 0.000 0.452 89 Q N -0.033 119.791 119.800 0.040 0.000 2.167 89 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 89 Q C 2.075 178.092 176.000 0.028 0.000 0.970 89 Q CA 0.828 56.650 55.803 0.032 0.000 0.855 89 Q CB -0.149 28.599 28.738 0.015 0.000 0.911 89 Q HN 0.549 nan 8.270 nan 0.000 0.438 90 E N -0.234 119.978 120.200 0.020 0.000 2.107 90 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 90 E C 1.641 178.210 176.600 -0.051 0.000 0.982 90 E CA 0.294 56.678 56.400 -0.025 0.000 0.809 90 E CB -0.069 29.605 29.700 -0.043 0.000 0.756 90 E HN 0.241 nan 8.360 nan 0.000 0.459 91 F N 2.009 121.853 119.950 -0.176 0.000 2.095 91 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 91 F C 1.805 177.515 175.800 -0.150 0.000 1.104 91 F CA 1.585 59.437 58.000 -0.248 0.000 1.232 91 F CB 0.001 38.844 39.000 -0.260 0.000 0.987 91 F HN -0.049 nan 8.300 nan 0.000 0.475 92 D N 0.341 120.834 120.400 0.156 0.000 2.123 92 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 92 D C 2.421 178.727 176.300 0.010 0.000 0.992 92 D CA 1.492 55.562 54.000 0.117 0.000 0.833 92 D CB -0.962 39.906 40.800 0.114 0.000 0.954 92 D HN 0.488 nan 8.370 nan 0.000 0.455 93 G N 1.159 109.935 108.800 -0.040 0.000 2.480 93 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 93 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 93 G C 1.844 176.671 174.900 -0.121 0.000 1.200 93 G CA 0.374 45.434 45.100 -0.068 0.000 0.782 93 G HN 0.240 nan 8.290 nan 0.000 0.554 94 L N -0.849 120.258 121.223 -0.193 0.000 1.978 94 L HA -0.212 4.128 4.340 -0.000 0.000 0.218 94 L C 2.623 179.360 176.870 -0.222 0.000 1.075 94 L CA 2.024 56.720 54.840 -0.240 0.000 0.767 94 L CB -0.532 41.320 42.059 -0.345 0.000 0.890 94 L HN 0.357 nan 8.230 nan 0.000 0.434 95 Y N 1.099 121.143 120.300 -0.427 0.000 2.139 95 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 95 Y C 2.514 178.332 175.900 -0.137 0.000 1.179 95 Y CA 1.913 59.834 58.100 -0.298 0.000 1.161 95 Y CB -0.449 37.839 38.460 -0.288 0.000 0.970 95 Y HN 0.282 nan 8.280 nan 0.000 0.511 96 N N 0.404 118.981 118.700 -0.206 0.000 2.106 96 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 96 N C 1.992 177.361 175.510 -0.235 0.000 1.029 96 N CA 1.567 54.473 53.050 -0.240 0.000 0.848 96 N CB -0.594 37.837 38.487 -0.094 0.000 1.007 96 N HN 0.634 nan 8.380 nan 0.000 0.423 97 E N 1.158 121.248 120.200 -0.182 0.000 2.058 97 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 97 E C 2.081 178.566 176.600 -0.191 0.000 0.997 97 E CA 0.849 57.151 56.400 -0.163 0.000 0.801 97 E CB -0.098 29.518 29.700 -0.141 0.000 0.746 97 E HN 0.282 nan 8.360 nan 0.000 0.450 98 L N 0.600 121.692 121.223 -0.219 0.000 2.093 98 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 98 L C 2.679 179.383 176.870 -0.277 0.000 1.085 98 L CA 0.615 55.322 54.840 -0.222 0.000 0.755 98 L CB -0.299 41.647 42.059 -0.189 0.000 0.904 98 L HN 0.257 nan 8.230 nan 0.000 0.435 99 L N -0.567 120.436 121.223 -0.368 0.000 2.046 99 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 99 L C 2.524 179.221 176.870 -0.289 0.000 1.077 99 L CA 1.298 55.912 54.840 -0.376 0.000 0.747 99 L CB -0.414 41.357 42.059 -0.481 0.000 0.896 99 L HN 0.277 nan 8.230 nan 0.000 0.432 100 L N -0.465 120.614 121.223 -0.240 0.000 1.989 100 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 100 L C 2.609 179.352 176.870 -0.211 0.000 1.071 100 L CA 1.603 56.327 54.840 -0.194 0.000 0.749 100 L CB -0.607 41.365 42.059 -0.145 0.000 0.890 100 L HN 0.327 nan 8.230 nan 0.000 0.431 101 E N 0.106 120.190 120.200 -0.194 0.000 2.097 101 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 101 E C 2.367 178.840 176.600 -0.212 0.000 1.000 101 E CA 1.419 57.712 56.400 -0.178 0.000 0.804 101 E CB -0.032 29.574 29.700 -0.157 0.000 0.740 101 E HN 0.389 nan 8.360 nan 0.000 0.454 102 M N -0.058 119.390 119.600 -0.254 0.000 2.159 102 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 102 M C 2.445 178.504 176.300 -0.400 0.000 1.063 102 M CA 1.401 56.534 55.300 -0.279 0.000 1.110 102 M CB -0.242 32.187 32.600 -0.285 0.000 1.374 102 M HN 0.234 nan 8.290 nan 0.000 0.411 103 A N 0.440 122.933 122.820 -0.545 0.000 1.933 103 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 103 A C 2.081 179.360 177.584 -0.507 0.000 1.175 103 A CA 1.565 53.030 52.037 -0.953 0.000 0.628 103 A CB -0.641 17.898 19.000 -0.767 0.000 0.814 103 A HN 0.445 nan 8.150 nan 0.000 0.444 104 R N -0.071 120.265 120.500 -0.273 0.000 2.127 104 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 104 R C 0.798 177.029 176.300 -0.115 0.000 1.134 104 R CA 1.302 57.317 56.100 -0.140 0.000 0.975 104 R CB -0.253 29.979 30.300 -0.114 0.000 0.865 104 R HN 0.520 nan 8.270 nan 0.000 0.447 105 N N 0.779 119.386 118.700 -0.154 0.000 2.314 105 N HA -0.028 4.712 4.740 -0.000 0.000 0.200 105 N C -0.313 175.150 175.510 -0.078 0.000 1.135 105 N CA 0.238 53.226 53.050 -0.102 0.000 0.835 105 N CB 0.834 39.259 38.487 -0.104 0.000 0.989 105 N HN 0.109 nan 8.380 nan 0.000 0.478 106 Q N -1.265 118.484 119.800 -0.085 0.000 2.493 106 Q HA -0.130 4.210 4.340 -0.000 0.000 0.260 106 Q C -0.650 175.413 176.000 0.105 0.000 0.873 106 Q CA 0.478 56.343 55.803 0.104 0.000 1.150 106 Q CB -2.517 26.283 28.738 0.105 0.000 1.393 106 Q HN 0.192 nan 8.270 nan 0.000 0.607 107 I N 0.381 120.821 120.570 -0.217 0.000 2.493 107 I HA 0.706 4.876 4.170 -0.000 0.000 0.298 107 I C -0.020 175.869 176.117 -0.380 0.000 0.998 107 I CA -0.594 60.646 61.300 -0.099 0.000 1.137 107 I CB 1.303 39.250 38.000 -0.088 0.000 1.310 107 I HN 0.128 nan 8.210 nan 0.000 0.445 108 F N 4.654 124.593 119.950 -0.018 0.000 2.659 108 F HA 0.514 5.041 4.527 -0.000 0.000 0.342 108 F C -0.383 175.428 175.800 0.018 0.000 1.168 108 F CA -0.627 57.365 58.000 -0.013 0.000 1.003 108 F CB 1.583 40.566 39.000 -0.028 0.000 1.267 108 F HN 0.314 nan 8.300 nan 0.000 0.463 109 L N 6.351 127.665 121.223 0.152 0.000 2.312 109 L HA 0.595 4.935 4.340 -0.000 0.000 0.287 109 L C -0.088 176.884 176.870 0.170 0.000 1.091 109 L CA -0.346 54.601 54.840 0.179 0.000 0.846 109 L CB -0.356 41.824 42.059 0.203 0.000 1.219 109 L HN 0.412 nan 8.230 nan 0.000 0.439 110 I N 1.557 122.218 120.570 0.153 0.000 2.822 110 I HA 0.772 4.942 4.170 -0.000 0.000 0.312 110 I C -0.020 176.163 176.117 0.109 0.000 1.011 110 I CA -0.852 60.522 61.300 0.123 0.000 1.105 110 I CB 1.214 39.263 38.000 0.083 0.000 1.291 110 I HN 0.799 nan 8.210 nan 0.000 0.474 111 N N 0.366 119.128 118.700 0.103 0.000 2.518 111 N HA 0.308 5.048 4.740 -0.000 0.000 0.284 111 N C 0.956 176.500 175.510 0.056 0.000 1.230 111 N CA -0.092 53.025 53.050 0.112 0.000 0.941 111 N CB 0.445 39.029 38.487 0.161 0.000 1.219 111 N HN 0.833 nan 8.380 nan 0.000 0.560 112 E N 0.727 120.969 120.200 0.070 0.000 2.160 112 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 112 E C 0.942 177.521 176.600 -0.036 0.000 0.991 112 E CA 1.310 57.711 56.400 0.002 0.000 0.810 112 E CB -0.235 29.557 29.700 0.153 0.000 0.742 112 E HN 0.681 nan 8.360 nan 0.000 0.466 113 R N 0.189 120.710 120.500 0.036 0.000 2.193 113 R HA 0.026 4.366 4.340 -0.000 0.000 0.213 113 R C 1.983 178.287 176.300 0.005 0.000 1.055 113 R CA 1.129 57.250 56.100 0.036 0.000 0.995 113 R CB 0.022 30.356 30.300 0.057 0.000 0.893 113 R HN 0.364 nan 8.270 nan 0.000 0.459 114 Q N 0.380 120.179 119.800 -0.002 0.000 2.246 114 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 114 Q C 0.031 176.001 176.000 -0.049 0.000 0.883 114 Q CA -0.072 55.724 55.803 -0.011 0.000 0.952 114 Q CB 0.378 29.125 28.738 0.015 0.000 1.078 114 Q HN 0.252 nan 8.270 nan 0.000 0.493 115 L N 1.426 122.591 121.223 -0.096 0.000 2.472 115 L HA 0.101 4.441 4.340 -0.000 0.000 0.260 115 L C 0.825 177.641 176.870 -0.091 0.000 1.209 115 L CA -0.344 54.419 54.840 -0.129 0.000 0.817 115 L CB 0.562 42.466 42.059 -0.259 0.000 1.106 115 L HN 0.131 nan 8.230 nan 0.000 0.479 116 S N -0.288 115.365 115.700 -0.079 0.000 2.646 116 S HA 0.255 4.725 4.470 -0.000 0.000 0.276 116 S C 0.384 174.972 174.600 -0.019 0.000 1.222 116 S CA -0.984 57.186 58.200 -0.050 0.000 1.014 116 S CB 1.608 64.773 63.200 -0.057 0.000 0.991 116 S HN 0.300 nan 8.310 nan 0.000 0.533 117 V N 2.401 122.317 119.914 0.003 0.000 3.515 117 V HA 0.081 4.201 4.120 -0.000 0.000 0.298 117 V C 1.195 177.320 176.094 0.051 0.000 1.206 117 V CA 1.319 63.641 62.300 0.036 0.000 1.253 117 V CB -2.366 29.478 31.823 0.035 0.000 1.035 117 V HN 0.940 nan 8.190 nan 0.000 0.428 118 N N -0.406 118.322 118.700 0.046 0.000 2.354 118 N HA 0.006 4.746 4.740 -0.000 0.000 0.253 118 N C 1.629 177.211 175.510 0.120 0.000 1.096 118 N CA 0.223 53.316 53.050 0.072 0.000 0.820 118 N CB 0.364 38.871 38.487 0.032 0.000 1.610 118 N HN 0.346 nan 8.380 nan 0.000 0.501 119 Q N 0.399 120.241 119.800 0.071 0.000 2.167 119 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 119 Q C 1.544 177.671 176.000 0.211 0.000 0.970 119 Q CA 1.252 57.127 55.803 0.121 0.000 0.855 119 Q CB -0.065 28.664 28.738 -0.015 0.000 0.911 119 Q HN 0.509 nan 8.270 nan 0.000 0.438 120 Q N 0.822 120.683 119.800 0.101 0.000 1.985 120 Q HA -0.183 4.157 4.340 -0.000 0.000 0.207 120 Q C 1.838 178.032 176.000 0.323 0.000 0.996 120 Q CA 1.343 57.233 55.803 0.145 0.000 0.851 120 Q CB -0.317 28.523 28.738 0.171 0.000 0.921 120 Q HN 0.471 nan 8.270 nan 0.000 0.418 121 N N -0.220 118.638 118.700 0.263 0.000 2.348 121 N HA -0.177 4.562 4.740 -0.000 0.000 0.185 121 N C 1.290 176.971 175.510 0.284 0.000 1.019 121 N CA 0.983 54.182 53.050 0.248 0.000 0.880 121 N CB -0.240 38.364 38.487 0.195 0.000 0.965 121 N HN 0.391 nan 8.380 nan 0.000 0.437 122 W N 1.802 123.188 121.300 0.143 0.000 2.443 122 W HA 0.110 4.770 4.660 -0.000 0.000 0.296 122 W C 2.057 178.712 176.519 0.226 0.000 1.202 122 W CA 0.490 57.916 57.345 0.137 0.000 1.312 122 W CB -0.416 29.071 29.460 0.045 0.000 1.120 122 W HN -0.098 nan 8.180 nan 0.000 0.536 123 L N 0.572 122.005 121.223 0.351 0.000 1.994 123 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 123 L C 2.747 179.779 176.870 0.270 0.000 1.071 123 L CA 1.860 56.873 54.840 0.289 0.000 0.745 123 L CB -0.835 41.470 42.059 0.409 0.000 0.892 123 L HN -0.047 nan 8.230 nan 0.000 0.431 124 R N -1.286 119.387 120.500 0.288 0.000 2.113 124 R HA -0.268 4.072 4.340 -0.000 0.000 0.244 124 R C 2.363 178.782 176.300 0.198 0.000 1.142 124 R CA 1.769 57.999 56.100 0.216 0.000 0.953 124 R CB -0.868 29.527 30.300 0.159 0.000 0.860 124 R HN 0.452 nan 8.270 nan 0.000 0.438 125 H N 0.122 119.216 119.070 0.040 0.000 2.293 125 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 125 H C 1.942 177.246 175.328 -0.039 0.000 1.082 125 H CA 2.050 58.086 56.048 -0.021 0.000 1.308 125 H CB -0.446 29.256 29.762 -0.098 0.000 1.375 125 H HN 0.289 nan 8.280 nan 0.000 0.495 126 Y N 0.302 120.498 120.300 -0.174 0.000 2.114 126 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 126 Y C 2.586 178.521 175.900 0.060 0.000 1.165 126 Y CA 2.233 60.173 58.100 -0.265 0.000 1.148 126 Y CB -0.897 37.074 38.460 -0.816 0.000 0.972 126 Y HN 0.158 nan 8.280 nan 0.000 0.504 127 F N 1.327 121.275 119.950 -0.003 0.000 2.046 127 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 127 F C 2.215 177.976 175.800 -0.065 0.000 1.123 127 F CA 2.397 60.380 58.000 -0.028 0.000 1.199 127 F CB -0.512 38.536 39.000 0.080 0.000 0.972 127 F HN -0.061 nan 8.300 nan 0.000 0.474 128 K N -0.601 119.898 120.400 0.165 0.000 2.152 128 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 128 K C 1.863 178.368 176.600 -0.159 0.000 1.048 128 K CA 1.359 57.653 56.287 0.011 0.000 0.933 128 K CB -0.187 32.326 32.500 0.022 0.000 0.721 128 K HN 0.368 nan 8.250 nan 0.000 0.447 129 Q N -1.238 118.493 119.800 -0.115 0.000 2.408 129 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 129 Q C 0.611 176.341 176.000 -0.451 0.000 0.919 129 Q CA 1.000 56.690 55.803 -0.189 0.000 0.932 129 Q CB 0.549 29.301 28.738 0.023 0.000 1.058 129 Q HN 0.446 nan 8.270 nan 0.000 0.517 130 Y N -2.009 118.031 120.300 -0.434 0.000 2.728 130 Y HA 0.149 4.699 4.550 -0.000 0.000 0.267 130 Y C 1.763 177.428 175.900 -0.392 0.000 1.169 130 Y CA -0.154 57.691 58.100 -0.426 0.000 1.168 130 Y CB 0.247 38.341 38.460 -0.611 0.000 1.370 130 Y HN -0.142 nan 8.280 nan 0.000 0.482 131 L N -0.153 120.816 121.223 -0.423 0.000 2.145 131 L HA 0.022 4.362 4.340 -0.000 0.000 0.201 131 L C 2.487 178.979 176.870 -0.630 0.000 1.075 131 L CA 0.881 55.462 54.840 -0.432 0.000 0.773 131 L CB -0.448 41.330 42.059 -0.469 0.000 0.936 131 L HN 0.081 nan 8.230 nan 0.000 0.451 132 R N 1.475 121.261 120.500 -1.190 0.000 2.191 132 R HA -0.332 4.008 4.340 -0.000 0.000 0.248 132 R C 2.287 178.379 176.300 -0.346 0.000 1.127 132 R CA 2.855 58.473 56.100 -0.805 0.000 0.943 132 R CB -0.581 29.437 30.300 -0.469 0.000 0.891 132 R HN 0.604 nan 8.270 nan 0.000 0.439 133 Q N -1.374 118.203 119.800 -0.372 0.000 2.308 133 Q HA -0.196 4.144 4.340 -0.000 0.000 0.209 133 Q C 1.003 176.769 176.000 -0.391 0.000 0.985 133 Q CA 1.778 57.358 55.803 -0.372 0.000 0.881 133 Q CB -0.247 28.208 28.738 -0.472 0.000 0.917 133 Q HN 0.624 nan 8.270 nan 0.000 0.443 134 H N -0.288 118.712 119.070 -0.117 0.000 2.648 134 H HA 0.259 4.815 4.556 -0.000 0.000 0.265 134 H C -0.145 175.175 175.328 -0.012 0.000 0.961 134 H CA 0.104 56.120 56.048 -0.052 0.000 1.185 134 H CB 0.780 30.513 29.762 -0.049 0.000 1.449 134 H HN 0.081 nan 8.280 nan 0.000 0.523 135 I N 2.131 122.742 120.570 0.068 0.000 2.388 135 I HA 0.219 4.389 4.170 -0.000 0.000 0.281 135 I C 0.134 176.298 176.117 0.079 0.000 1.046 135 I CA -0.464 60.904 61.300 0.115 0.000 1.187 135 I CB 0.653 38.772 38.000 0.197 0.000 1.351 135 I HN 0.007 nan 8.210 nan 0.000 0.472 136 T N 6.620 121.219 114.554 0.074 0.000 2.815 136 T HA 0.451 4.801 4.350 -0.000 0.000 0.289 136 T C -2.477 172.263 174.700 0.067 0.000 1.000 136 T CA -1.111 61.011 62.100 0.035 0.000 0.958 136 T CB 1.480 70.363 68.868 0.024 0.000 0.944 136 T HN 0.357 nan 8.240 nan 0.000 0.442 137 P HA 0.110 nan 4.420 nan 0.000 0.263 137 P C -0.598 176.800 177.300 0.165 0.000 1.175 137 P CA -0.181 62.981 63.100 0.103 0.000 0.761 137 P CB 0.334 32.030 31.700 -0.007 0.000 0.794 138 I N 4.279 124.984 120.570 0.226 0.000 2.339 138 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 138 I C 0.426 176.673 176.117 0.217 0.000 0.994 138 I CA -0.798 60.636 61.300 0.223 0.000 1.191 138 I CB 0.505 38.679 38.000 0.289 0.000 1.343 138 I HN 0.278 nan 8.210 nan 0.000 0.458 139 L N 5.700 127.037 121.223 0.191 0.000 2.331 139 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 139 L C 0.004 176.971 176.870 0.163 0.000 1.106 139 L CA -0.480 54.476 54.840 0.193 0.000 0.824 139 L CB 1.098 43.280 42.059 0.204 0.000 1.142 139 L HN 0.447 nan 8.230 nan 0.000 0.443 140 I N 2.369 123.033 120.570 0.156 0.000 2.287 140 I HA 0.283 4.453 4.170 -0.000 0.000 0.290 140 I C 0.286 176.474 176.117 0.118 0.000 1.069 140 I CA -0.678 60.702 61.300 0.134 0.000 1.237 140 I CB -0.088 37.994 38.000 0.136 0.000 1.418 140 I HN 0.632 nan 8.210 nan 0.000 0.481 141 N N 6.596 125.352 118.700 0.094 0.000 2.471 141 N HA 0.513 5.253 4.740 -0.000 0.000 0.288 141 N C -1.657 173.884 175.510 0.053 0.000 1.220 141 N CA -1.554 51.538 53.050 0.071 0.000 0.893 141 N CB 2.139 40.662 38.487 0.059 0.000 1.256 141 N HN 0.194 nan 8.380 nan 0.000 0.534 142 P HA -0.137 nan 4.420 nan 0.000 0.221 142 P C 0.340 177.652 177.300 0.020 0.000 1.145 142 P CA 1.481 64.596 63.100 0.025 0.000 0.795 142 P CB 0.300 32.012 31.700 0.019 0.000 0.775 143 D N -1.672 118.741 120.400 0.022 0.000 2.389 143 D HA -0.005 4.635 4.640 -0.000 0.000 0.206 143 D C 0.133 176.450 176.300 0.027 0.000 1.055 143 D CA 0.160 54.170 54.000 0.017 0.000 0.856 143 D CB -0.933 39.872 40.800 0.007 0.000 0.957 143 D HN -0.008 nan 8.370 nan 0.000 0.509 144 T N 2.841 117.423 114.554 0.046 0.000 2.902 144 T HA 0.113 4.463 4.350 -0.000 0.000 0.301 144 T C 0.083 174.853 174.700 0.116 0.000 1.012 144 T CA 0.064 62.217 62.100 0.088 0.000 1.151 144 T CB 0.906 69.848 68.868 0.124 0.000 0.946 144 T HN 0.238 nan 8.240 nan 0.000 0.542 145 D N 4.400 124.918 120.400 0.196 0.000 2.434 145 D HA 0.133 4.773 4.640 -0.000 0.000 0.275 145 D C 1.189 177.601 176.300 0.188 0.000 1.172 145 D CA -0.500 53.586 54.000 0.142 0.000 0.916 145 D CB 0.304 41.158 40.800 0.091 0.000 1.041 145 D HN 0.389 nan 8.370 nan 0.000 0.501 146 L N 0.712 121.930 121.223 -0.008 0.000 2.103 146 L HA -0.320 4.020 4.340 -0.000 0.000 0.215 146 L C 2.397 179.021 176.870 -0.409 0.000 1.080 146 L CA 1.171 55.751 54.840 -0.432 0.000 0.764 146 L CB -0.756 41.067 42.059 -0.393 0.000 0.890 146 L HN 0.203 nan 8.230 nan 0.000 0.435 147 V N -0.639 119.157 119.914 -0.197 0.000 2.265 147 V HA -0.445 3.675 4.120 -0.000 0.000 0.260 147 V C 2.302 178.321 176.094 -0.125 0.000 1.084 147 V CA 2.391 64.604 62.300 -0.144 0.000 1.086 147 V CB -0.965 30.816 31.823 -0.070 0.000 0.704 147 V HN 0.550 nan 8.190 nan 0.000 0.457 148 Q N -0.646 119.133 119.800 -0.035 0.000 1.714 148 Q HA 0.018 4.358 4.340 -0.000 0.000 0.383 148 Q C 2.135 178.131 176.000 -0.008 0.000 0.936 148 Q CA 1.162 56.983 55.803 0.029 0.000 0.888 148 Q CB -0.441 28.379 28.738 0.138 0.000 0.973 148 Q HN 0.689 nan 8.270 nan 0.000 0.420 149 F N 1.072 120.991 119.950 -0.050 0.000 2.286 149 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 149 F C 0.672 176.439 175.800 -0.056 0.000 1.043 149 F CA 0.138 58.110 58.000 -0.046 0.000 1.380 149 F CB -0.898 38.082 39.000 -0.034 0.000 1.087 149 F HN 0.053 nan 8.300 nan 0.000 0.537 150 L N 2.969 123.754 121.223 -0.731 0.000 2.513 150 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 150 L C 0.230 176.959 176.870 -0.234 0.000 1.187 150 L CA -0.071 54.406 54.840 -0.605 0.000 0.895 150 L CB 0.080 41.729 42.059 -0.683 0.000 1.147 150 L HN -0.002 nan 8.230 nan 0.000 0.483 151 K N 4.151 124.509 120.400 -0.070 0.000 2.412 151 K HA 0.039 4.359 4.320 -0.000 0.000 0.281 151 K C -0.318 176.299 176.600 0.029 0.000 1.027 151 K CA -0.100 56.122 56.287 -0.108 0.000 0.989 151 K CB 0.286 32.500 32.500 -0.476 0.000 0.935 151 K HN 0.598 nan 8.250 nan 0.000 0.475 152 D N 1.937 122.347 120.400 0.017 0.000 2.312 152 D HA 0.008 4.648 4.640 -0.000 0.000 0.252 152 D C 0.128 176.565 176.300 0.229 0.000 1.150 152 D CA 0.237 54.298 54.000 0.102 0.000 0.870 152 D CB 0.627 41.464 40.800 0.062 0.000 1.153 152 D HN 0.587 nan 8.370 nan 0.000 0.457 153 D N 1.292 121.834 120.400 0.236 0.000 2.911 153 D HA -0.241 4.399 4.640 -0.000 0.000 0.199 153 D C -0.786 175.694 176.300 0.300 0.000 1.041 153 D CA 0.800 54.947 54.000 0.245 0.000 1.013 153 D CB -1.108 39.823 40.800 0.220 0.000 1.093 153 D HN 0.343 nan 8.370 nan 0.000 0.431 154 Y N 0.413 120.776 120.300 0.105 0.000 2.298 154 Y HA 0.473 5.023 4.550 -0.000 0.000 0.329 154 Y C 1.216 177.131 175.900 0.025 0.000 1.293 154 Y CA -0.074 58.039 58.100 0.022 0.000 1.388 154 Y CB 0.941 39.358 38.460 -0.072 0.000 1.309 154 Y HN -0.218 nan 8.280 nan 0.000 0.544 155 T N 2.353 116.925 114.554 0.030 0.000 2.837 155 T HA 0.429 4.779 4.350 -0.000 0.000 0.285 155 T C -1.261 173.399 174.700 -0.066 0.000 0.984 155 T CA -0.354 61.792 62.100 0.077 0.000 1.049 155 T CB 0.146 69.066 68.868 0.086 0.000 0.947 155 T HN 0.288 nan 8.240 nan 0.000 0.472 156 Y N 1.223 121.627 120.300 0.172 0.000 2.524 156 Y HA 0.606 5.156 4.550 -0.000 0.000 0.344 156 Y C -0.559 175.440 175.900 0.166 0.000 1.012 156 Y CA -1.298 56.899 58.100 0.161 0.000 1.068 156 Y CB 1.473 40.011 38.460 0.130 0.000 1.249 156 Y HN 0.347 nan 8.280 nan 0.000 0.468 157 L N 2.602 124.017 121.223 0.321 0.000 2.280 157 L HA 0.650 4.990 4.340 -0.000 0.000 0.287 157 L C -0.287 176.731 176.870 0.246 0.000 1.023 157 L CA -0.719 54.269 54.840 0.247 0.000 0.819 157 L CB 0.975 43.153 42.059 0.198 0.000 1.212 157 L HN 0.732 nan 8.230 nan 0.000 0.420 158 A N 5.035 127.992 122.820 0.228 0.000 2.310 158 A HA 0.592 4.912 4.320 -0.000 0.000 0.300 158 A C -0.366 177.330 177.584 0.186 0.000 1.269 158 A CA -0.387 51.756 52.037 0.177 0.000 0.909 158 A CB 0.124 19.197 19.000 0.121 0.000 1.144 158 A HN 0.429 nan 8.150 nan 0.000 0.540 159 V N 3.074 123.053 119.914 0.108 0.000 2.439 159 V HA 0.260 4.380 4.120 -0.000 0.000 0.282 159 V C 0.411 176.519 176.094 0.024 0.000 1.039 159 V CA -0.407 61.881 62.300 -0.019 0.000 0.913 159 V CB 1.432 33.091 31.823 -0.274 0.000 0.983 159 V HN 0.954 nan 8.190 nan 0.000 0.460 160 E N 3.646 123.878 120.200 0.052 0.000 2.113 160 E HA 0.442 4.792 4.350 -0.000 0.000 0.273 160 E C -1.251 175.256 176.600 -0.155 0.000 0.924 160 E CA -0.431 56.050 56.400 0.134 0.000 0.764 160 E CB 1.273 31.161 29.700 0.313 0.000 1.104 160 E HN 0.518 nan 8.360 nan 0.000 0.406 161 I N 5.081 125.500 120.570 -0.252 0.000 2.307 161 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 161 I C 0.055 176.084 176.117 -0.145 0.000 1.021 161 I CA -0.604 60.501 61.300 -0.325 0.000 1.224 161 I CB 0.570 38.337 38.000 -0.389 0.000 1.376 161 I HN 0.445 nan 8.210 nan 0.000 0.470 162 I N 5.312 125.843 120.570 -0.065 0.000 2.336 162 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 162 I C 0.404 176.573 176.117 0.088 0.000 0.991 162 I CA -0.713 60.590 61.300 0.004 0.000 1.227 162 I CB 1.204 39.210 38.000 0.011 0.000 1.366 162 I HN 0.658 nan 8.210 nan 0.000 0.466 163 R N 3.535 124.072 120.500 0.061 0.000 2.625 163 R HA 0.524 4.864 4.340 -0.000 0.000 0.286 163 R C 0.480 176.802 176.300 0.036 0.000 1.406 163 R CA 0.695 56.838 56.100 0.073 0.000 1.052 163 R CB 1.206 31.561 30.300 0.092 0.000 1.203 163 R HN 1.175 nan 8.270 nan 0.000 0.502 164 G N 3.843 112.661 108.800 0.032 0.000 2.556 164 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.283 164 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.283 164 G C 0.179 175.087 174.900 0.012 0.000 1.177 164 G CA 0.480 45.592 45.100 0.019 0.000 0.978 164 G HN 0.687 nan 8.290 nan 0.000 0.554 165 D N 0.938 121.341 120.400 0.005 0.000 2.336 165 D HA 0.201 4.841 4.640 -0.000 0.000 0.228 165 D C 0.641 176.933 176.300 -0.014 0.000 1.120 165 D CA 0.928 54.927 54.000 -0.001 0.000 0.839 165 D CB -0.249 40.551 40.800 -0.000 0.000 0.932 165 D HN 0.384 nan 8.370 nan 0.000 0.509 166 T N 0.505 115.050 114.554 -0.014 0.000 2.907 166 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 166 T C -0.123 174.534 174.700 -0.071 0.000 1.004 166 T CA -0.424 61.656 62.100 -0.034 0.000 1.063 166 T CB 1.953 70.815 68.868 -0.009 0.000 0.992 166 T HN -0.042 nan 8.240 nan 0.000 0.483 167 I N 2.948 123.429 120.570 -0.149 0.000 2.534 167 I HA 0.448 4.618 4.170 -0.000 0.000 0.286 167 I C -0.111 175.728 176.117 -0.464 0.000 1.094 167 I CA -1.057 60.066 61.300 -0.296 0.000 1.055 167 I CB 1.431 39.214 38.000 -0.363 0.000 1.225 167 I HN 0.680 nan 8.210 nan 0.000 0.435 168 R N 3.372 123.637 120.500 -0.392 0.000 2.604 168 R HA 0.722 5.062 4.340 -0.000 0.000 0.287 168 R C -1.476 174.588 176.300 -0.393 0.000 0.970 168 R CA -0.706 55.201 56.100 -0.322 0.000 0.946 168 R CB 2.284 32.535 30.300 -0.081 0.000 1.127 168 R HN 0.695 nan 8.270 nan 0.000 0.473 169 Y N -0.057 120.216 120.300 -0.045 0.000 2.409 169 Y HA 0.646 5.196 4.550 -0.000 0.000 0.343 169 Y C -0.038 175.840 175.900 -0.036 0.000 0.973 169 Y CA -1.028 57.036 58.100 -0.059 0.000 1.064 169 Y CB 2.481 40.920 38.460 -0.035 0.000 1.207 169 Y HN 0.618 nan 8.280 nan 0.000 0.452 170 A N 3.768 126.669 122.820 0.137 0.000 2.549 170 A HA 0.779 5.099 4.320 -0.000 0.000 0.297 170 A C -1.831 175.856 177.584 0.173 0.000 1.061 170 A CA -0.711 51.413 52.037 0.144 0.000 0.690 170 A CB 1.407 20.495 19.000 0.147 0.000 1.287 170 A HN 0.747 nan 8.150 nan 0.000 0.402 171 L N 1.539 122.888 121.223 0.210 0.000 2.331 171 L HA 0.611 4.951 4.340 -0.000 0.000 0.275 171 L C -0.909 176.158 176.870 0.328 0.000 1.022 171 L CA -0.628 54.356 54.840 0.240 0.000 0.812 171 L CB 1.606 43.756 42.059 0.152 0.000 1.257 171 L HN 0.597 nan 8.230 nan 0.000 0.435 172 L N 2.820 124.261 121.223 0.364 0.000 2.372 172 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 172 L C -0.222 176.827 176.870 0.297 0.000 0.988 172 L CA -0.409 54.623 54.840 0.321 0.000 0.833 172 L CB 2.143 44.371 42.059 0.282 0.000 1.236 172 L HN 0.618 nan 8.230 nan 0.000 0.410 173 E N 3.072 123.402 120.200 0.217 0.000 2.259 173 E HA 0.205 4.555 4.350 -0.000 0.000 0.281 173 E C -0.634 175.934 176.600 -0.054 0.000 1.037 173 E CA -0.621 55.696 56.400 -0.137 0.000 0.854 173 E CB 1.171 30.825 29.700 -0.076 0.000 1.051 173 E HN 0.287 nan 8.360 nan 0.000 0.409 174 I N 7.290 127.790 120.570 -0.116 0.000 2.483 174 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 174 I C -1.536 174.551 176.117 -0.049 0.000 1.112 174 I CA -1.462 59.816 61.300 -0.036 0.000 1.350 174 I CB -0.075 37.896 38.000 -0.049 0.000 1.419 174 I HN 0.567 nan 8.210 nan 0.000 0.523 175 P HA 0.099 nan 4.420 nan 0.000 0.238 175 P C 0.944 178.194 177.300 -0.083 0.000 1.714 175 P CA 0.066 63.160 63.100 -0.010 0.000 0.908 175 P CB 0.032 31.726 31.700 -0.011 0.000 1.893 176 S N 0.995 116.609 115.700 -0.144 0.000 2.462 176 S HA -0.145 4.325 4.470 -0.000 0.000 0.243 176 S C 1.448 175.965 174.600 -0.138 0.000 1.003 176 S CA 1.553 59.651 58.200 -0.170 0.000 0.970 176 S CB -0.367 62.688 63.200 -0.241 0.000 0.762 176 S HN 0.516 nan 8.310 nan 0.000 0.510 177 D N 1.277 121.611 120.400 -0.110 0.000 2.162 177 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 177 D C 1.591 177.859 176.300 -0.053 0.000 0.964 177 D CA 0.767 54.741 54.000 -0.044 0.000 0.847 177 D CB -0.229 40.608 40.800 0.062 0.000 0.988 177 D HN 0.339 nan 8.370 nan 0.000 0.480 178 K N 0.212 120.545 120.400 -0.110 0.000 2.166 178 K HA 0.152 4.472 4.320 -0.000 0.000 0.201 178 K C 0.517 176.986 176.600 -0.218 0.000 1.052 178 K CA 0.292 56.454 56.287 -0.209 0.000 0.969 178 K CB 0.989 33.222 32.500 -0.445 0.000 0.761 178 K HN -0.017 nan 8.250 nan 0.000 0.459 179 V N 3.112 122.913 119.914 -0.189 0.000 2.715 179 V HA 0.231 4.351 4.120 -0.000 0.000 0.310 179 V C -2.408 173.658 176.094 -0.047 0.000 1.054 179 V CA -2.308 59.933 62.300 -0.098 0.000 0.928 179 V CB 1.808 33.581 31.823 -0.082 0.000 1.007 179 V HN 0.107 nan 8.190 nan 0.000 0.437 180 P HA 0.139 nan 4.420 nan 0.000 0.268 180 P C -0.036 177.233 177.300 -0.052 0.000 1.204 180 P CA -0.149 62.950 63.100 -0.002 0.000 0.768 180 P CB 1.014 32.736 31.700 0.037 0.000 0.842 181 R N 1.537 121.948 120.500 -0.149 0.000 2.323 181 R HA 0.137 4.477 4.340 -0.000 0.000 0.198 181 R C -0.259 175.618 176.300 -0.705 0.000 0.988 181 R CA 0.356 56.216 56.100 -0.401 0.000 1.041 181 R CB -0.238 29.756 30.300 -0.511 0.000 0.926 181 R HN 0.423 nan 8.270 nan 0.000 0.476 182 F N -0.532 119.370 119.950 -0.080 0.000 2.579 182 F HA 0.324 4.851 4.527 -0.000 0.000 0.325 182 F C -0.624 175.109 175.800 -0.112 0.000 1.162 182 F CA -0.996 56.930 58.000 -0.124 0.000 0.946 182 F CB 1.841 40.670 39.000 -0.283 0.000 1.211 182 F HN -0.392 nan 8.300 nan 0.000 0.447 183 V N 3.249 123.204 119.914 0.069 0.000 2.483 183 V HA 0.360 4.480 4.120 -0.000 0.000 0.295 183 V C -0.326 175.731 176.094 -0.062 0.000 1.035 183 V CA -1.002 61.290 62.300 -0.013 0.000 0.896 183 V CB 1.730 33.511 31.823 -0.071 0.000 0.986 183 V HN 0.579 nan 8.190 nan 0.000 0.447 184 N N 4.846 123.476 118.700 -0.117 0.000 2.422 184 N HA 0.398 5.138 4.740 -0.000 0.000 0.264 184 N C -0.531 174.783 175.510 -0.327 0.000 1.063 184 N CA -0.141 52.806 53.050 -0.172 0.000 0.959 184 N CB 1.398 39.789 38.487 -0.161 0.000 1.087 184 N HN 0.500 nan 8.380 nan 0.000 0.483 185 L N 3.593 124.608 121.223 -0.347 0.000 2.399 185 L HA 0.378 4.718 4.340 -0.000 0.000 0.266 185 L C -1.701 174.785 176.870 -0.640 0.000 1.114 185 L CA -1.740 52.737 54.840 -0.605 0.000 0.804 185 L CB 0.682 42.541 42.059 -0.334 0.000 1.146 185 L HN 0.278 nan 8.230 nan 0.000 0.451 186 P HA 0.133 nan 4.420 nan 0.000 0.271 186 P C -2.559 174.518 177.300 -0.372 0.000 1.226 186 P CA -1.332 61.393 63.100 -0.625 0.000 0.765 186 P CB 0.023 31.261 31.700 -0.771 0.000 0.835 187 P HA -0.041 nan 4.420 nan 0.000 0.258 187 P C 0.962 178.161 177.300 -0.168 0.000 1.187 187 P CA 0.584 63.571 63.100 -0.189 0.000 0.767 187 P CB 0.302 31.916 31.700 -0.144 0.000 0.770 188 E N 4.616 124.717 120.200 -0.165 0.000 1.992 188 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 188 E C 1.490 178.026 176.600 -0.107 0.000 1.007 188 E CA 2.271 58.591 56.400 -0.134 0.000 0.857 188 E CB -0.590 29.028 29.700 -0.137 0.000 0.796 188 E HN 0.404 nan 8.360 nan 0.000 0.486 189 A N -0.077 122.678 122.820 -0.107 0.000 2.265 189 A HA 0.292 4.612 4.320 -0.000 0.000 0.226 189 A C -1.631 175.905 177.584 -0.079 0.000 1.937 189 A CA 0.266 52.253 52.037 -0.083 0.000 0.771 189 A CB -1.384 17.570 19.000 -0.076 0.000 1.421 189 A HN 0.423 nan 8.150 nan 0.000 0.570 190 P HA 0.170 nan 4.420 nan 0.000 0.267 190 P C -0.392 176.867 177.300 -0.070 0.000 1.209 190 P CA -0.018 63.041 63.100 -0.067 0.000 0.763 190 P CB 0.687 32.350 31.700 -0.062 0.000 0.816 191 R N 2.288 122.754 120.500 -0.057 0.000 2.341 191 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 191 R C 2.114 178.387 176.300 -0.046 0.000 1.082 191 R CA 0.757 56.823 56.100 -0.057 0.000 1.017 191 R CB -0.159 30.113 30.300 -0.047 0.000 0.860 191 R HN 0.522 nan 8.270 nan 0.000 0.473 192 R N 0.852 121.331 120.500 -0.035 0.000 2.066 192 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 192 R C 0.734 177.037 176.300 0.005 0.000 1.131 192 R CA 0.688 56.780 56.100 -0.013 0.000 0.955 192 R CB -0.244 30.055 30.300 -0.001 0.000 0.851 192 R HN 0.139 nan 8.270 nan 0.000 0.432 193 R N 1.698 122.194 120.500 -0.007 0.000 2.697 193 R HA -0.011 4.329 4.340 -0.000 0.000 0.265 193 R C -0.021 176.292 176.300 0.023 0.000 1.009 193 R CA 0.650 56.764 56.100 0.023 0.000 1.099 193 R CB 0.294 30.500 30.300 -0.156 0.000 0.965 193 R HN -0.118 nan 8.270 nan 0.000 0.428 194 K N 3.614 124.089 120.400 0.125 0.000 2.592 194 K HA 0.269 4.589 4.320 -0.000 0.000 0.212 194 K C -2.556 174.112 176.600 0.114 0.000 1.013 194 K CA -1.747 54.575 56.287 0.059 0.000 1.034 194 K CB 1.881 34.405 32.500 0.040 0.000 1.292 194 K HN 0.432 nan 8.250 nan 0.000 0.521 195 P HA 0.393 nan 4.420 nan 0.000 0.296 195 P C -0.557 176.730 177.300 -0.022 0.000 1.306 195 P CA -0.597 62.518 63.100 0.026 0.000 0.818 195 P CB 1.093 32.745 31.700 -0.080 0.000 0.969 196 M N 2.127 121.749 119.600 0.036 0.000 2.550 196 M HA 0.715 5.195 4.480 -0.000 0.000 0.292 196 M C -1.263 175.086 176.300 0.082 0.000 1.221 196 M CA -1.266 54.048 55.300 0.024 0.000 0.873 196 M CB 2.425 35.032 32.600 0.012 0.000 1.727 196 M HN 0.109 nan 8.290 nan 0.000 0.459 197 I N 1.830 122.448 120.570 0.080 0.000 2.785 197 I HA 0.633 4.803 4.170 -0.000 0.000 0.302 197 I C -1.244 174.930 176.117 0.096 0.000 1.069 197 I CA -0.981 60.377 61.300 0.096 0.000 1.045 197 I CB 2.261 40.303 38.000 0.070 0.000 1.236 197 I HN 0.918 nan 8.210 nan 0.000 0.429 198 L N 4.776 126.032 121.223 0.054 0.000 2.397 198 L HA 0.245 4.585 4.340 -0.000 0.000 0.271 198 L C 1.358 178.212 176.870 -0.026 0.000 1.148 198 L CA -0.234 54.560 54.840 -0.077 0.000 0.825 198 L CB 1.404 43.355 42.059 -0.180 0.000 1.117 198 L HN 0.841 nan 8.230 nan 0.000 0.456 199 L N 2.376 123.553 121.223 -0.077 0.000 2.081 199 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 199 L C 1.674 178.590 176.870 0.078 0.000 1.080 199 L CA 1.932 56.792 54.840 0.033 0.000 0.754 199 L CB -0.559 41.493 42.059 -0.011 0.000 0.893 199 L HN 0.677 nan 8.230 nan 0.000 0.433 200 D N -0.323 120.096 120.400 0.031 0.000 2.123 200 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 200 D C 1.740 178.131 176.300 0.151 0.000 0.992 200 D CA 1.439 55.499 54.000 0.100 0.000 0.833 200 D CB -0.433 40.442 40.800 0.125 0.000 0.954 200 D HN 0.400 nan 8.370 nan 0.000 0.455 201 N N 0.032 118.821 118.700 0.149 0.000 2.494 201 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 201 N C 1.733 177.364 175.510 0.201 0.000 1.076 201 N CA 0.121 53.278 53.050 0.179 0.000 0.908 201 N CB 0.055 38.643 38.487 0.168 0.000 0.967 201 N HN 0.195 nan 8.380 nan 0.000 0.449 202 I N 0.700 121.398 120.570 0.212 0.000 2.333 202 I HA -0.039 4.131 4.170 -0.000 0.000 0.246 202 I C 2.450 178.720 176.117 0.255 0.000 1.106 202 I CA 0.451 61.922 61.300 0.285 0.000 1.411 202 I CB -1.184 37.025 38.000 0.349 0.000 1.082 202 I HN 0.167 nan 8.210 nan 0.000 0.420 203 L N -0.112 121.245 121.223 0.223 0.000 1.994 203 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 203 L C 2.835 179.758 176.870 0.089 0.000 1.071 203 L CA 1.940 56.873 54.840 0.155 0.000 0.745 203 L CB -0.950 41.226 42.059 0.194 0.000 0.892 203 L HN 0.216 nan 8.230 nan 0.000 0.431 204 R N -0.771 119.804 120.500 0.124 0.000 2.133 204 R HA -0.262 4.078 4.340 -0.000 0.000 0.247 204 R C 2.356 178.713 176.300 0.096 0.000 1.151 204 R CA 2.047 58.202 56.100 0.093 0.000 0.971 204 R CB -0.356 30.013 30.300 0.115 0.000 0.866 204 R HN 0.291 nan 8.270 nan 0.000 0.447 205 Y N -0.916 119.398 120.300 0.023 0.000 2.457 205 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 205 Y C 1.533 177.412 175.900 -0.036 0.000 1.125 205 Y CA 0.573 58.681 58.100 0.013 0.000 1.254 205 Y CB 0.190 38.680 38.460 0.049 0.000 1.012 205 Y HN 0.069 nan 8.280 nan 0.000 0.555 206 C N 0.030 119.179 119.300 -0.251 0.000 2.906 206 C HA 0.185 4.644 4.460 -0.000 0.000 0.274 206 C C 2.471 177.271 174.990 -0.317 0.000 1.257 206 C CA -0.520 58.231 59.018 -0.446 0.000 1.695 206 C CB -1.427 25.850 27.740 -0.771 0.000 1.958 206 C HN 0.540 nan 8.230 nan 0.000 0.619 207 L N 1.399 122.531 121.223 -0.152 0.000 2.085 207 L HA -0.293 4.047 4.340 -0.000 0.000 0.218 207 L C 2.307 179.219 176.870 0.069 0.000 1.080 207 L CA 2.171 57.015 54.840 0.006 0.000 0.776 207 L CB -0.532 41.498 42.059 -0.049 0.000 0.891 207 L HN 0.374 nan 8.230 nan 0.000 0.437 208 D N -0.320 120.063 120.400 -0.028 0.000 2.117 208 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 208 D C 1.718 178.079 176.300 0.103 0.000 0.982 208 D CA 1.124 55.175 54.000 0.084 0.000 0.828 208 D CB 0.068 40.888 40.800 0.033 0.000 0.967 208 D HN 0.237 nan 8.370 nan 0.000 0.464 209 D N -0.729 119.642 120.400 -0.049 0.000 2.312 209 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 209 D C 2.012 178.306 176.300 -0.009 0.000 0.964 209 D CA 0.224 54.193 54.000 -0.051 0.000 0.877 209 D CB 0.115 40.820 40.800 -0.158 0.000 0.924 209 D HN 0.226 nan 8.370 nan 0.000 0.515 210 I N -0.462 120.085 120.570 -0.039 0.000 2.584 210 I HA -0.055 4.115 4.170 -0.000 0.000 0.255 210 I C 1.661 177.677 176.117 -0.168 0.000 1.145 210 I CA 0.633 61.877 61.300 -0.093 0.000 1.462 210 I CB -0.726 37.168 38.000 -0.178 0.000 1.102 210 I HN 0.026 nan 8.210 nan 0.000 0.433 211 F N 0.525 120.579 119.950 0.174 0.000 2.712 211 F HA 0.154 4.681 4.527 -0.000 0.000 0.297 211 F C 2.267 178.396 175.800 0.548 0.000 1.114 211 F CA 0.183 58.387 58.000 0.340 0.000 1.305 211 F CB -0.327 38.708 39.000 0.059 0.000 1.086 211 F HN 0.032 nan 8.300 nan 0.000 0.599 212 K N 0.619 121.359 120.400 0.567 0.000 2.211 212 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 212 K C 2.178 178.865 176.600 0.144 0.000 1.047 212 K CA 1.627 58.119 56.287 0.341 0.000 0.935 212 K CB -1.069 31.539 32.500 0.179 0.000 0.728 212 K HN 0.252 nan 8.250 nan 0.000 0.452 213 G N 0.514 109.371 108.800 0.095 0.000 2.450 213 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 213 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 213 G C 0.759 175.265 174.900 -0.657 0.000 1.130 213 G CA 0.763 45.680 45.100 -0.306 0.000 0.760 213 G HN 0.428 nan 8.290 nan 0.000 0.557 214 F N -1.760 118.265 119.950 0.125 0.000 2.798 214 F HA 0.500 5.027 4.527 -0.000 0.000 0.328 214 F C -0.360 175.279 175.800 -0.268 0.000 1.098 214 F CA -1.046 56.895 58.000 -0.098 0.000 1.172 214 F CB 0.563 39.426 39.000 -0.228 0.000 1.072 214 F HN -0.151 nan 8.300 nan 0.000 0.555 215 F N 0.541 120.677 119.950 0.310 0.000 2.563 215 F HA 0.462 4.989 4.527 -0.000 0.000 0.316 215 F C -0.259 175.564 175.800 0.039 0.000 1.076 215 F CA -1.280 56.899 58.000 0.297 0.000 0.921 215 F CB 1.298 40.626 39.000 0.546 0.000 1.209 215 F HN -0.249 nan 8.300 nan 0.000 0.462 216 D N 2.338 122.844 120.400 0.176 0.000 2.217 216 D HA 0.431 5.071 4.640 -0.000 0.000 0.243 216 D C -1.189 175.108 176.300 -0.005 0.000 1.054 216 D CA 0.061 54.000 54.000 -0.101 0.000 0.838 216 D CB 1.912 42.690 40.800 -0.035 0.000 1.162 216 D HN 0.472 nan 8.370 nan 0.000 0.472 217 Y N -1.404 118.944 120.300 0.081 0.000 2.604 217 Y HA 0.268 4.818 4.550 -0.000 0.000 0.331 217 Y C -0.064 175.850 175.900 0.023 0.000 1.158 217 Y CA -1.061 57.065 58.100 0.043 0.000 1.056 217 Y CB 0.640 39.114 38.460 0.023 0.000 1.330 217 Y HN -0.006 nan 8.280 nan 0.000 0.457 218 D N 1.297 121.825 120.400 0.214 0.000 2.213 218 D HA 0.381 5.021 4.640 -0.000 0.000 0.205 218 D C 0.352 176.764 176.300 0.186 0.000 0.961 218 D CA 1.556 55.639 54.000 0.138 0.000 0.853 218 D CB 0.563 41.411 40.800 0.081 0.000 0.967 218 D HN 0.723 nan 8.370 nan 0.000 0.496 219 A N -0.041 122.905 122.820 0.211 0.000 2.612 219 A HA 0.654 4.974 4.320 -0.000 0.000 0.293 219 A C -1.809 175.726 177.584 -0.082 0.000 1.075 219 A CA -0.624 51.472 52.037 0.098 0.000 0.680 219 A CB 1.091 20.120 19.000 0.049 0.000 1.279 219 A HN 0.045 nan 8.150 nan 0.000 0.411 220 L N 1.787 122.905 121.223 -0.176 0.000 2.385 220 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 220 L C -0.920 175.837 176.870 -0.188 0.000 0.990 220 L CA -0.811 53.833 54.840 -0.328 0.000 0.821 220 L CB 2.233 43.989 42.059 -0.504 0.000 1.279 220 L HN 0.691 nan 8.230 nan 0.000 0.412 221 N N 2.045 120.656 118.700 -0.148 0.000 2.240 221 N HA 0.797 5.537 4.740 -0.000 0.000 0.302 221 N C -1.106 174.277 175.510 -0.213 0.000 1.106 221 N CA -0.517 52.437 53.050 -0.160 0.000 0.778 221 N CB 2.693 41.193 38.487 0.021 0.000 1.431 221 N HN 0.634 nan 8.380 nan 0.000 0.479 222 A N 1.408 123.956 122.820 -0.453 0.000 2.386 222 A HA 0.789 5.109 4.320 -0.000 0.000 0.311 222 A C -1.815 175.429 177.584 -0.566 0.000 1.068 222 A CA -0.495 51.373 52.037 -0.282 0.000 0.743 222 A CB 0.924 19.858 19.000 -0.110 0.000 1.258 222 A HN 0.592 nan 8.150 nan 0.000 0.429 223 Y N 0.480 120.809 120.300 0.049 0.000 2.470 223 Y HA 0.542 5.092 4.550 -0.000 0.000 0.341 223 Y C 0.610 176.572 175.900 0.103 0.000 1.021 223 Y CA -0.664 57.473 58.100 0.061 0.000 1.025 223 Y CB 2.197 40.689 38.460 0.053 0.000 1.266 223 Y HN 0.775 nan 8.280 nan 0.000 0.448 224 S N 3.448 119.295 115.700 0.245 0.000 2.610 224 S HA 0.868 5.338 4.470 -0.000 0.000 0.273 224 S C -0.478 174.307 174.600 0.309 0.000 1.274 224 S CA -0.519 57.844 58.200 0.272 0.000 1.023 224 S CB 0.895 64.246 63.200 0.251 0.000 0.962 224 S HN 0.665 nan 8.310 nan 0.000 0.523 225 M N 0.299 120.058 119.600 0.266 0.000 2.578 225 M HA 0.697 5.177 4.480 -0.000 0.000 0.276 225 M C -1.184 175.169 176.300 0.088 0.000 1.245 225 M CA -0.698 54.674 55.300 0.121 0.000 0.871 225 M CB 1.776 34.533 32.600 0.262 0.000 1.722 225 M HN 0.746 nan 8.290 nan 0.000 0.473 226 K N 1.482 121.841 120.400 -0.068 0.000 2.542 226 K HA 0.745 5.065 4.320 -0.000 0.000 0.259 226 K C -2.221 174.435 176.600 0.094 0.000 0.932 226 K CA -0.611 55.690 56.287 0.022 0.000 0.820 226 K CB 2.583 34.992 32.500 -0.151 0.000 1.345 226 K HN 1.042 nan 8.250 nan 0.000 0.432 227 M N 3.081 122.776 119.600 0.159 0.000 2.326 227 M HA 0.428 4.908 4.480 -0.000 0.000 0.306 227 M C -1.619 174.741 176.300 0.100 0.000 1.054 227 M CA -0.174 55.211 55.300 0.142 0.000 0.922 227 M CB 2.261 34.922 32.600 0.102 0.000 1.632 227 M HN 0.668 nan 8.290 nan 0.000 0.436 228 T N 3.810 118.409 114.554 0.075 0.000 2.893 228 T HA 0.531 4.881 4.350 -0.000 0.000 0.293 228 T C -0.997 173.739 174.700 0.060 0.000 1.027 228 T CA -0.746 61.399 62.100 0.075 0.000 0.988 228 T CB 2.135 71.049 68.868 0.076 0.000 1.043 228 T HN 0.744 nan 8.240 nan 0.000 0.461 229 R N 1.008 121.547 120.500 0.066 0.000 2.604 229 R HA 0.484 4.824 4.340 -0.000 0.000 0.287 229 R C -0.949 175.401 176.300 0.083 0.000 0.970 229 R CA -0.657 55.478 56.100 0.058 0.000 0.946 229 R CB 0.798 31.124 30.300 0.043 0.000 1.127 229 R HN 0.594 nan 8.270 nan 0.000 0.473 230 D N 1.415 121.867 120.400 0.086 0.000 2.362 230 D HA 0.196 4.836 4.640 -0.000 0.000 0.242 230 D C 0.107 176.466 176.300 0.099 0.000 1.132 230 D CA 0.278 54.339 54.000 0.102 0.000 0.907 230 D CB 1.038 41.897 40.800 0.098 0.000 1.195 230 D HN 0.617 nan 8.370 nan 0.000 0.429 231 A N 1.528 124.418 122.820 0.116 0.000 2.364 231 A HA 0.097 4.417 4.320 -0.000 0.000 0.258 231 A C 0.255 177.894 177.584 0.092 0.000 1.131 231 A CA -0.152 51.954 52.037 0.115 0.000 0.800 231 A CB 0.107 19.209 19.000 0.170 0.000 1.086 231 A HN 0.587 nan 8.150 nan 0.000 0.508 232 E N -0.703 119.539 120.200 0.069 0.000 2.283 232 E HA 0.361 4.711 4.350 -0.000 0.000 0.278 232 E C -1.055 175.596 176.600 0.086 0.000 1.027 232 E CA -0.060 56.378 56.400 0.064 0.000 0.843 232 E CB 1.099 30.805 29.700 0.008 0.000 1.062 232 E HN 0.559 nan 8.360 nan 0.000 0.401 233 Y N 2.168 122.464 120.300 -0.007 0.000 2.458 233 Y HA 0.273 4.823 4.550 -0.000 0.000 0.322 233 Y C 0.311 176.198 175.900 -0.022 0.000 1.259 233 Y CA -0.084 58.007 58.100 -0.014 0.000 1.302 233 Y CB 1.350 39.795 38.460 -0.026 0.000 1.314 233 Y HN 0.586 nan 8.280 nan 0.000 0.509 234 D N 0.872 120.461 120.400 -1.352 0.000 1.274 234 D HA -0.121 4.519 4.640 -0.000 0.000 0.860 234 D C 0.492 176.519 176.300 -0.455 0.000 0.364 234 D CA 0.180 53.506 54.000 -1.124 0.000 1.382 234 D CB -0.388 40.130 40.800 -0.470 0.000 0.968 234 D HN 0.654 nan 8.370 nan 0.000 0.390 235 L N 2.177 123.291 121.223 -0.183 0.000 2.713 235 L HA 0.154 4.494 4.340 -0.000 0.000 0.245 235 L C 1.388 178.278 176.870 0.033 0.000 1.169 235 L CA 0.109 54.927 54.840 -0.036 0.000 0.962 235 L CB 0.400 42.400 42.059 -0.099 0.000 1.161 235 L HN -0.007 nan 8.230 nan 0.000 0.427 236 V N -1.774 118.285 119.914 0.242 0.000 3.643 236 V HA -0.056 4.064 4.120 -0.000 0.000 0.280 236 V C 1.906 178.146 176.094 0.243 0.000 1.351 236 V CA 0.234 62.678 62.300 0.241 0.000 1.073 236 V CB -0.459 31.558 31.823 0.324 0.000 0.863 236 V HN 0.593 nan 8.190 nan 0.000 0.436 237 H N 0.314 119.445 119.070 0.100 0.000 2.539 237 H HA 0.178 4.734 4.556 -0.000 0.000 0.267 237 H C 0.984 176.332 175.328 0.033 0.000 0.982 237 H CA 0.133 56.225 56.048 0.075 0.000 1.146 237 H CB -0.133 29.683 29.762 0.090 0.000 1.382 237 H HN 0.489 nan 8.280 nan 0.000 0.577 238 E N 0.592 120.611 120.200 -0.300 0.000 2.321 238 E HA 0.139 4.489 4.350 -0.000 0.000 0.189 238 E C 0.564 177.116 176.600 -0.079 0.000 1.125 238 E CA 0.006 56.253 56.400 -0.255 0.000 1.005 238 E CB 0.239 29.802 29.700 -0.229 0.000 1.140 238 E HN 0.522 nan 8.360 nan 0.000 0.457 239 M N -1.164 118.415 119.600 -0.035 0.000 1.920 239 M HA 0.035 4.515 4.480 -0.000 0.000 0.321 239 M C 0.049 176.359 176.300 0.017 0.000 0.935 239 M CA 0.049 55.351 55.300 0.003 0.000 1.128 239 M CB 0.926 33.531 32.600 0.008 0.000 2.120 239 M HN -0.049 nan 8.290 nan 0.000 0.734 240 E N 2.581 122.800 120.200 0.032 0.000 3.057 240 E HA 0.148 4.498 4.350 -0.000 0.000 0.314 240 E C 1.001 177.623 176.600 0.037 0.000 1.433 240 E CA -0.130 56.295 56.400 0.043 0.000 1.546 240 E CB -0.035 29.710 29.700 0.074 0.000 1.224 240 E HN 0.374 nan 8.360 nan 0.000 0.483 241 A N 1.753 124.587 122.820 0.025 0.000 1.952 241 A HA -0.232 4.088 4.320 -0.000 0.000 0.206 241 A C 2.232 179.830 177.584 0.023 0.000 1.213 241 A CA 1.820 53.870 52.037 0.022 0.000 0.690 241 A CB -0.796 18.215 19.000 0.018 0.000 0.854 241 A HN 0.501 nan 8.150 nan 0.000 0.485 242 S N -0.519 115.193 115.700 0.019 0.000 2.555 242 S HA 0.083 4.553 4.470 -0.000 0.000 0.230 242 S C 1.653 176.263 174.600 0.016 0.000 0.978 242 S CA 1.016 59.226 58.200 0.016 0.000 0.934 242 S CB -0.541 62.667 63.200 0.013 0.000 0.766 242 S HN 0.408 nan 8.310 nan 0.000 0.533 243 L N 0.580 121.814 121.223 0.019 0.000 1.995 243 L HA 0.093 4.433 4.340 -0.000 0.000 0.206 243 L C 2.771 179.652 176.870 0.019 0.000 1.098 243 L CA 1.621 56.471 54.840 0.016 0.000 0.762 243 L CB -0.521 41.548 42.059 0.017 0.000 0.900 243 L HN 0.334 nan 8.230 nan 0.000 0.441 244 M N -0.138 119.482 119.600 0.034 0.000 2.192 244 M HA -0.288 4.192 4.480 -0.000 0.000 0.259 244 M C 1.926 178.245 176.300 0.032 0.000 1.071 244 M CA 1.854 57.180 55.300 0.044 0.000 1.082 244 M CB -0.074 32.577 32.600 0.085 0.000 1.373 244 M HN 0.239 nan 8.290 nan 0.000 0.408 245 E N 0.073 120.290 120.200 0.029 0.000 2.028 245 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 245 E C 1.990 178.598 176.600 0.013 0.000 0.984 245 E CA 1.576 57.989 56.400 0.022 0.000 0.800 245 E CB -0.251 29.461 29.700 0.021 0.000 0.758 245 E HN 0.558 nan 8.360 nan 0.000 0.448 246 L N 0.620 121.849 121.223 0.010 0.000 2.156 246 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 246 L C 1.620 178.489 176.870 -0.001 0.000 1.095 246 L CA -0.099 54.743 54.840 0.004 0.000 0.770 246 L CB -0.374 41.688 42.059 0.004 0.000 0.914 246 L HN 0.264 nan 8.230 nan 0.000 0.439 247 M N 2.088 121.687 119.600 -0.001 0.000 2.301 247 M HA -0.086 4.394 4.480 -0.000 0.000 0.404 247 M C 0.732 177.023 176.300 -0.015 0.000 1.497 247 M CA 0.264 55.558 55.300 -0.010 0.000 0.867 247 M CB 0.317 32.911 32.600 -0.009 0.000 2.037 247 M HN 0.248 nan 8.290 nan 0.000 0.496 248 S N 3.123 118.810 115.700 -0.021 0.000 2.580 248 S HA 0.191 4.661 4.470 -0.000 0.000 0.274 248 S C 1.183 175.763 174.600 -0.032 0.000 1.329 248 S CA -0.338 57.848 58.200 -0.024 0.000 1.036 248 S CB 1.356 64.541 63.200 -0.024 0.000 0.919 248 S HN 0.891 nan 8.310 nan 0.000 0.515 249 S N 1.712 117.395 115.700 -0.030 0.000 2.440 249 S HA -0.192 4.278 4.470 -0.000 0.000 0.240 249 S C 1.845 176.415 174.600 -0.050 0.000 1.014 249 S CA 1.194 59.373 58.200 -0.036 0.000 0.980 249 S CB -1.267 61.916 63.200 -0.029 0.000 0.775 249 S HN 1.124 nan 8.310 nan 0.000 0.499 250 S N 0.993 116.664 115.700 -0.048 0.000 2.453 250 S HA 0.139 4.609 4.470 -0.000 0.000 0.231 250 S C 1.618 176.172 174.600 -0.077 0.000 1.005 250 S CA 0.631 58.796 58.200 -0.058 0.000 0.949 250 S CB -0.403 62.770 63.200 -0.044 0.000 0.774 250 S HN 0.484 nan 8.310 nan 0.000 0.510 251 L N 1.620 122.799 121.223 -0.073 0.000 2.357 251 L HA 0.315 4.655 4.340 -0.000 0.000 0.211 251 L C 2.304 179.107 176.870 -0.112 0.000 1.075 251 L CA 0.868 55.654 54.840 -0.090 0.000 0.830 251 L CB -0.272 41.744 42.059 -0.072 0.000 0.996 251 L HN 0.369 nan 8.230 nan 0.000 0.467 252 K N -1.192 119.153 120.400 -0.092 0.000 2.097 252 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 252 K C 1.993 178.522 176.600 -0.118 0.000 1.050 252 K CA 1.319 57.549 56.287 -0.095 0.000 0.938 252 K CB -0.478 31.988 32.500 -0.056 0.000 0.718 252 K HN 0.280 nan 8.250 nan 0.000 0.442 253 Q N 1.430 121.159 119.800 -0.119 0.000 2.123 253 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 253 Q C 1.897 177.756 176.000 -0.236 0.000 0.966 253 Q CA 1.091 56.805 55.803 -0.148 0.000 0.845 253 Q CB 0.021 28.686 28.738 -0.123 0.000 0.907 253 Q HN 0.304 nan 8.270 nan 0.000 0.439 254 R N 0.221 120.587 120.500 -0.223 0.000 2.319 254 R HA 0.071 4.411 4.340 -0.000 0.000 0.204 254 R C 1.432 177.583 176.300 -0.250 0.000 0.954 254 R CA 0.086 56.021 56.100 -0.276 0.000 1.066 254 R CB 0.041 30.229 30.300 -0.187 0.000 0.991 254 R HN 0.322 nan 8.270 nan 0.000 0.486 255 L N -1.468 119.612 121.223 -0.239 0.000 2.730 255 L HA 0.108 4.448 4.340 -0.000 0.000 0.236 255 L C 1.513 178.196 176.870 -0.312 0.000 1.061 255 L CA 0.315 54.992 54.840 -0.273 0.000 0.898 255 L CB 0.450 42.335 42.059 -0.290 0.000 1.270 255 L HN 0.035 nan 8.230 nan 0.000 0.500 256 T N 0.522 114.938 114.554 -0.230 0.000 2.770 256 T HA 0.081 4.431 4.350 -0.000 0.000 0.258 256 T C 0.982 175.642 174.700 -0.067 0.000 1.039 256 T CA 0.646 62.678 62.100 -0.114 0.000 1.143 256 T CB -0.262 68.585 68.868 -0.035 0.000 0.866 256 T HN 0.311 nan 8.240 nan 0.000 0.428 257 A N 3.575 126.318 122.820 -0.128 0.000 2.572 257 A HA 0.052 4.372 4.320 -0.000 0.000 0.256 257 A C 0.456 178.068 177.584 0.046 0.000 1.041 257 A CA 0.046 52.030 52.037 -0.088 0.000 0.790 257 A CB -0.430 18.325 19.000 -0.408 0.000 0.947 257 A HN 0.637 nan 8.150 nan 0.000 0.518 258 E N 5.114 125.403 120.200 0.147 0.000 2.089 258 E HA 0.362 4.712 4.350 -0.000 0.000 0.284 258 E C -2.428 174.306 176.600 0.224 0.000 1.023 258 E CA -1.987 54.508 56.400 0.158 0.000 0.819 258 E CB 0.610 30.373 29.700 0.106 0.000 1.076 258 E HN 0.541 nan 8.360 nan 0.000 0.396 259 P HA -0.066 nan 4.420 nan 0.000 0.273 259 P C -0.373 176.928 177.300 0.003 0.000 1.252 259 P CA -0.340 62.821 63.100 0.101 0.000 0.809 259 P CB 0.687 32.470 31.700 0.140 0.000 1.017 260 V N 0.764 120.632 119.914 -0.077 0.000 2.686 260 V HA 0.341 4.461 4.120 -0.000 0.000 0.306 260 V C 0.361 176.445 176.094 -0.016 0.000 1.065 260 V CA -0.662 61.611 62.300 -0.044 0.000 0.894 260 V CB 1.879 33.650 31.823 -0.087 0.000 1.004 260 V HN 0.437 nan 8.190 nan 0.000 0.424 261 R N 3.441 123.953 120.500 0.020 0.000 2.255 261 R HA 0.477 4.817 4.340 -0.000 0.000 0.326 261 R C -1.383 174.981 176.300 0.106 0.000 0.986 261 R CA -0.473 55.645 56.100 0.029 0.000 0.847 261 R CB 1.585 31.871 30.300 -0.024 0.000 1.111 261 R HN 0.571 nan 8.270 nan 0.000 0.452 262 F N 4.583 124.498 119.950 -0.058 0.000 2.402 262 F HA 0.344 4.871 4.527 -0.000 0.000 0.355 262 F C -0.924 174.873 175.800 -0.005 0.000 1.123 262 F CA -1.064 56.914 58.000 -0.037 0.000 1.021 262 F CB 1.066 40.046 39.000 -0.032 0.000 1.160 262 F HN 0.077 nan 8.300 nan 0.000 0.451 263 V N 8.006 127.670 119.914 -0.416 0.000 2.459 263 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 263 V C -0.964 174.742 176.094 -0.647 0.000 1.029 263 V CA -0.809 61.165 62.300 -0.543 0.000 0.874 263 V CB 1.005 32.562 31.823 -0.442 0.000 0.985 263 V HN 0.660 nan 8.190 nan 0.000 0.438 264 Y N 0.960 120.883 120.300 -0.628 0.000 2.524 264 Y HA 0.658 5.208 4.550 -0.000 0.000 0.347 264 Y C -0.236 175.604 175.900 -0.101 0.000 1.005 264 Y CA -1.449 56.419 58.100 -0.388 0.000 1.025 264 Y CB 1.300 39.456 38.460 -0.508 0.000 1.275 264 Y HN 0.575 nan 8.280 nan 0.000 0.460 265 Q N 3.041 122.931 119.800 0.150 0.000 2.304 265 Q HA 0.053 4.393 4.340 -0.000 0.000 0.301 265 Q C 0.915 176.955 176.000 0.067 0.000 1.063 265 Q CA 0.261 56.125 55.803 0.102 0.000 0.947 265 Q CB 0.736 29.595 28.738 0.201 0.000 1.201 265 Q HN 0.916 nan 8.270 nan 0.000 0.389 266 R N 1.906 122.377 120.500 -0.049 0.000 2.119 266 R HA -0.200 4.140 4.340 -0.000 0.000 0.246 266 R C 0.913 177.269 176.300 0.093 0.000 1.146 266 R CA 1.783 57.860 56.100 -0.038 0.000 0.962 266 R CB -0.213 30.059 30.300 -0.047 0.000 0.863 266 R HN 0.699 nan 8.270 nan 0.000 0.442 267 D N 0.117 120.594 120.400 0.129 0.000 2.358 267 D HA -0.023 4.617 4.640 -0.000 0.000 0.224 267 D C 0.425 176.768 176.300 0.072 0.000 1.123 267 D CA -0.131 53.951 54.000 0.136 0.000 0.833 267 D CB -0.166 40.736 40.800 0.169 0.000 0.946 267 D HN 0.143 nan 8.370 nan 0.000 0.505 268 M N 1.616 121.215 119.600 -0.001 0.000 2.246 268 M HA 0.199 4.679 4.480 -0.000 0.000 0.350 268 M C -2.363 173.722 176.300 -0.357 0.000 1.406 268 M CA -1.261 53.759 55.300 -0.468 0.000 1.089 268 M CB 0.726 33.182 32.600 -0.240 0.000 1.782 268 M HN -0.314 nan 8.290 nan 0.000 0.457 269 P HA -0.079 nan 4.420 nan 0.000 0.261 269 P C 0.125 177.303 177.300 -0.202 0.000 1.173 269 P CA 0.252 63.218 63.100 -0.223 0.000 0.760 269 P CB 0.288 31.883 31.700 -0.175 0.000 0.783 270 N N 3.320 121.944 118.700 -0.126 0.000 2.184 270 N HA -0.258 4.482 4.740 -0.000 0.000 0.190 270 N C 1.477 176.908 175.510 -0.132 0.000 1.011 270 N CA 1.650 54.623 53.050 -0.129 0.000 0.867 270 N CB -0.058 38.388 38.487 -0.069 0.000 0.993 270 N HN 0.431 nan 8.380 nan 0.000 0.433 271 A N 1.436 124.205 122.820 -0.085 0.000 1.902 271 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 271 A C 2.375 179.890 177.584 -0.114 0.000 1.181 271 A CA 0.842 52.857 52.037 -0.037 0.000 0.623 271 A CB -0.700 18.339 19.000 0.064 0.000 0.818 271 A HN 0.400 nan 8.150 nan 0.000 0.443 272 L N -0.270 120.794 121.223 -0.265 0.000 2.072 272 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 272 L C 2.437 179.073 176.870 -0.390 0.000 1.079 272 L CA 1.113 55.612 54.840 -0.568 0.000 0.752 272 L CB -0.212 41.404 42.059 -0.739 0.000 0.906 272 L HN 0.264 nan 8.230 nan 0.000 0.436 273 V N -0.047 119.661 119.914 -0.342 0.000 2.287 273 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 273 V C 2.566 178.527 176.094 -0.222 0.000 1.053 273 V CA 1.805 63.907 62.300 -0.331 0.000 1.027 273 V CB -0.629 30.881 31.823 -0.521 0.000 0.646 273 V HN 0.458 nan 8.190 nan 0.000 0.447 274 E N 0.109 120.194 120.200 -0.191 0.000 2.058 274 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 274 E C 2.343 178.855 176.600 -0.146 0.000 0.997 274 E CA 1.360 57.677 56.400 -0.138 0.000 0.801 274 E CB -0.670 28.974 29.700 -0.093 0.000 0.746 274 E HN 0.483 nan 8.360 nan 0.000 0.450 275 V N 1.598 121.419 119.914 -0.156 0.000 2.282 275 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 275 V C 2.537 178.515 176.094 -0.192 0.000 1.057 275 V CA 1.701 63.919 62.300 -0.136 0.000 1.032 275 V CB -0.565 31.169 31.823 -0.148 0.000 0.645 275 V HN 0.207 nan 8.190 nan 0.000 0.447 276 L N -1.171 119.889 121.223 -0.272 0.000 2.109 276 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 276 L C 2.771 179.358 176.870 -0.471 0.000 1.086 276 L CA 1.136 55.737 54.840 -0.397 0.000 0.760 276 L CB -0.696 41.068 42.059 -0.491 0.000 0.910 276 L HN 0.175 nan 8.230 nan 0.000 0.437 277 R N 0.548 120.825 120.500 -0.371 0.000 2.119 277 R HA -0.195 4.145 4.340 -0.000 0.000 0.246 277 R C 2.049 178.206 176.300 -0.237 0.000 1.146 277 R CA 1.710 57.635 56.100 -0.291 0.000 0.962 277 R CB -0.226 29.981 30.300 -0.154 0.000 0.863 277 R HN 0.545 nan 8.270 nan 0.000 0.442 278 E N -0.166 119.919 120.200 -0.192 0.000 2.014 278 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 278 E C 1.936 178.444 176.600 -0.155 0.000 0.980 278 E CA 0.457 56.771 56.400 -0.143 0.000 0.807 278 E CB -0.046 29.594 29.700 -0.100 0.000 0.770 278 E HN 0.061 nan 8.360 nan 0.000 0.451 279 K N 0.735 121.036 120.400 -0.165 0.000 2.228 279 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 279 K C 1.648 178.128 176.600 -0.201 0.000 1.045 279 K CA 0.876 57.069 56.287 -0.156 0.000 0.931 279 K CB -0.176 32.229 32.500 -0.159 0.000 0.727 279 K HN 0.218 nan 8.250 nan 0.000 0.458 280 L N 1.511 122.570 121.223 -0.272 0.000 2.848 280 L HA 0.069 4.409 4.340 -0.000 0.000 0.240 280 L C -0.116 176.617 176.870 -0.230 0.000 1.232 280 L CA -0.167 54.498 54.840 -0.292 0.000 1.031 280 L CB -0.441 41.352 42.059 -0.444 0.000 1.338 280 L HN 0.084 nan 8.230 nan 0.000 0.509 281 T N -0.442 114.008 114.554 -0.175 0.000 3.728 281 T HA -0.204 4.146 4.350 -0.000 0.000 0.355 281 T C 0.743 175.343 174.700 -0.168 0.000 0.760 281 T CA 0.538 62.554 62.100 -0.139 0.000 1.841 281 T CB -2.033 66.770 68.868 -0.108 0.000 1.853 281 T HN 0.206 nan 8.240 nan 0.000 0.743 282 I N 2.387 122.842 120.570 -0.191 0.000 2.755 282 I HA 0.121 4.291 4.170 -0.000 0.000 0.303 282 I C 1.630 177.649 176.117 -0.163 0.000 1.168 282 I CA 0.025 61.211 61.300 -0.190 0.000 1.588 282 I CB -1.474 36.423 38.000 -0.171 0.000 1.509 282 I HN 0.689 nan 8.210 nan 0.000 0.734 283 S N 6.308 121.878 115.700 -0.217 0.000 2.484 283 S HA 0.278 4.748 4.470 -0.000 0.000 0.256 283 S C 1.635 176.153 174.600 -0.136 0.000 1.223 283 S CA -0.043 58.063 58.200 -0.156 0.000 1.002 283 S CB 0.318 63.440 63.200 -0.131 0.000 1.043 283 S HN 0.743 nan 8.310 nan 0.000 0.517 284 R N 0.727 121.224 120.500 -0.004 0.000 2.092 284 R HA -0.149 4.191 4.340 -0.000 0.000 0.226 284 R C 2.293 178.635 176.300 0.071 0.000 1.140 284 R CA 1.880 58.025 56.100 0.076 0.000 0.910 284 R CB -1.836 28.566 30.300 0.170 0.000 0.822 284 R HN 0.805 nan 8.270 nan 0.000 0.433 285 Y N 1.093 121.388 120.300 -0.010 0.000 2.556 285 Y HA 0.084 4.634 4.550 -0.000 0.000 0.290 285 Y C -0.334 175.567 175.900 0.002 0.000 1.149 285 Y CA -0.669 57.426 58.100 -0.008 0.000 1.329 285 Y CB -1.043 37.407 38.460 -0.017 0.000 0.975 285 Y HN 0.027 nan 8.280 nan 0.000 0.561 286 D N 0.680 120.865 120.400 -0.358 0.000 2.341 286 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 286 D C -0.353 175.895 176.300 -0.086 0.000 1.106 286 D CA -0.060 53.782 54.000 -0.263 0.000 0.905 286 D CB 1.474 42.076 40.800 -0.331 0.000 1.202 286 D HN 0.182 nan 8.370 nan 0.000 0.426 287 S N 0.510 116.190 115.700 -0.034 0.000 2.451 287 S HA 0.626 5.096 4.470 -0.000 0.000 0.301 287 S C -0.712 173.923 174.600 0.059 0.000 1.116 287 S CA -0.708 57.497 58.200 0.008 0.000 1.093 287 S CB 0.339 63.538 63.200 -0.002 0.000 1.017 287 S HN 0.245 nan 8.310 nan 0.000 0.482 288 I N 4.302 124.918 120.570 0.077 0.000 2.410 288 I HA 0.666 4.836 4.170 -0.000 0.000 0.286 288 I C -0.655 175.505 176.117 0.072 0.000 1.009 288 I CA -0.837 60.559 61.300 0.160 0.000 1.111 288 I CB 0.438 38.569 38.000 0.218 0.000 1.262 288 I HN 0.605 nan 8.210 nan 0.000 0.443 289 V N 7.085 126.975 119.914 -0.040 0.000 2.623 289 V HA 0.559 4.679 4.120 -0.000 0.000 0.304 289 V C -2.452 173.327 176.094 -0.525 0.000 1.054 289 V CA -1.461 60.727 62.300 -0.186 0.000 0.882 289 V CB 2.700 34.408 31.823 -0.192 0.000 1.002 289 V HN 0.720 nan 8.190 nan 0.000 0.424 290 P HA 0.645 nan 4.420 nan 0.000 0.284 290 P C -0.152 176.786 177.300 -0.604 0.000 1.258 290 P CA -0.154 62.143 63.100 -1.338 0.000 0.824 290 P CB 2.067 33.133 31.700 -1.056 0.000 1.038 291 G N -0.539 107.979 108.800 -0.471 0.000 2.196 291 G HA2 0.484 4.444 3.960 -0.000 0.000 0.215 291 G HA3 0.484 4.444 3.960 -0.000 0.000 0.215 291 G C -0.316 174.528 174.900 -0.093 0.000 1.640 291 G CA 0.340 45.312 45.100 -0.214 0.000 0.946 291 G HN 0.782 nan 8.290 nan 0.000 0.710 292 G N 0.743 109.475 108.800 -0.113 0.000 2.757 292 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 292 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 292 G C 0.674 175.406 174.900 -0.280 0.000 1.452 292 G CA 0.539 45.537 45.100 -0.171 0.000 0.922 292 G HN 1.397 nan 8.290 nan 0.000 0.588 293 R N -0.184 120.047 120.500 -0.448 0.000 2.210 293 R HA 0.244 4.584 4.340 -0.000 0.000 0.203 293 R C 0.137 175.941 176.300 -0.827 0.000 1.010 293 R CA 0.769 56.477 56.100 -0.654 0.000 1.008 293 R CB 0.137 29.878 30.300 -0.932 0.000 0.923 293 R HN 0.601 nan 8.270 nan 0.000 0.469 294 Y N -0.537 119.555 120.300 -0.347 0.000 2.512 294 Y HA 0.455 5.004 4.550 -0.000 0.000 0.348 294 Y C 0.005 175.541 175.900 -0.607 0.000 0.990 294 Y CA -1.350 56.504 58.100 -0.411 0.000 1.033 294 Y CB 1.596 39.857 38.460 -0.331 0.000 1.259 294 Y HN -0.050 nan 8.280 nan 0.000 0.461 295 H N 0.031 119.191 119.070 0.150 0.000 2.906 295 H HA 0.345 4.901 4.556 -0.000 0.000 0.337 295 H C -0.525 174.846 175.328 0.071 0.000 1.257 295 H CA -1.272 54.859 56.048 0.139 0.000 1.192 295 H CB 1.469 31.283 29.762 0.087 0.000 1.912 295 H HN 0.660 nan 8.280 nan 0.000 0.573 296 N N 0.199 119.039 118.700 0.233 0.000 2.756 296 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 296 N C 0.321 175.881 175.510 0.084 0.000 1.062 296 N CA 0.322 53.450 53.050 0.131 0.000 0.696 296 N CB -1.600 36.921 38.487 0.057 0.000 0.946 296 N HN 0.437 nan 8.380 nan 0.000 0.548 297 F N 0.770 120.708 119.950 -0.019 0.000 2.408 297 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 297 F C 2.266 178.116 175.800 0.083 0.000 1.090 297 F CA 1.354 59.298 58.000 -0.093 0.000 1.427 297 F CB 0.032 38.901 39.000 -0.219 0.000 1.070 297 F HN 0.341 nan 8.300 nan 0.000 0.549 298 K N -0.105 120.447 120.400 0.253 0.000 2.160 298 K HA -0.257 4.063 4.320 -0.000 0.000 0.206 298 K C 1.209 177.971 176.600 0.269 0.000 1.047 298 K CA 2.219 58.648 56.287 0.237 0.000 0.930 298 K CB -0.729 31.872 32.500 0.168 0.000 0.720 298 K HN 0.119 nan 8.250 nan 0.000 0.450 299 D N -0.126 120.425 120.400 0.251 0.000 2.389 299 D HA -0.092 4.548 4.640 -0.000 0.000 0.221 299 D C 0.668 177.280 176.300 0.520 0.000 0.974 299 D CA 0.657 54.824 54.000 0.279 0.000 0.923 299 D CB -0.123 40.764 40.800 0.144 0.000 0.892 299 D HN 0.211 nan 8.370 nan 0.000 0.518 300 F N -0.271 119.853 119.950 0.289 0.000 2.811 300 F HA 0.047 4.574 4.527 -0.000 0.000 0.301 300 F C 1.973 177.915 175.800 0.237 0.000 1.151 300 F CA -0.024 58.179 58.000 0.339 0.000 1.412 300 F CB -0.179 39.005 39.000 0.308 0.000 1.113 300 F HN -0.049 nan 8.300 nan 0.000 0.579 301 I N -0.693 120.077 120.570 0.334 0.000 3.176 301 I HA -0.088 4.082 4.170 -0.000 0.000 0.275 301 I C 1.161 177.353 176.117 0.125 0.000 1.298 301 I CA 0.653 62.063 61.300 0.184 0.000 1.445 301 I CB -1.229 36.858 38.000 0.145 0.000 1.075 301 I HN 0.261 nan 8.210 nan 0.000 0.482 302 N N -0.565 118.232 118.700 0.161 0.000 2.238 302 N HA 0.168 4.908 4.740 -0.000 0.000 0.235 302 N C 0.124 175.651 175.510 0.028 0.000 1.209 302 N CA -0.249 52.856 53.050 0.092 0.000 0.879 302 N CB 0.418 38.966 38.487 0.101 0.000 1.136 302 N HN 0.449 nan 8.380 nan 0.000 0.517 303 F N 5.295 125.138 119.950 -0.178 0.000 2.580 303 F HA 0.026 4.553 4.527 -0.000 0.000 0.398 303 F C -1.557 174.025 175.800 -0.362 0.000 1.023 303 F CA -1.174 56.493 58.000 -0.555 0.000 1.188 303 F CB 0.446 39.002 39.000 -0.740 0.000 1.005 303 F HN 0.065 nan 8.300 nan 0.000 0.546 304 P HA 0.020 nan 4.420 nan 0.000 0.272 304 P C -1.310 175.738 177.300 -0.420 0.000 1.240 304 P CA -0.366 62.431 63.100 -0.505 0.000 0.791 304 P CB 0.714 32.133 31.700 -0.468 0.000 0.978 305 N N 0.625 119.204 118.700 -0.201 0.000 2.511 305 N HA 0.194 4.934 4.740 -0.000 0.000 0.249 305 N C -0.119 175.329 175.510 -0.104 0.000 0.971 305 N CA -0.564 52.425 53.050 -0.102 0.000 0.938 305 N CB 0.227 38.685 38.487 -0.049 0.000 1.131 305 N HN -0.043 nan 8.380 nan 0.000 0.505 306 V N 1.936 121.790 119.914 -0.101 0.000 3.421 306 V HA 0.431 4.551 4.120 -0.000 0.000 0.316 306 V C 1.265 177.329 176.094 -0.051 0.000 1.347 306 V CA 0.182 62.431 62.300 -0.085 0.000 1.183 306 V CB -0.543 31.220 31.823 -0.100 0.000 1.092 306 V HN 0.650 nan 8.190 nan 0.000 0.433 307 G N -0.286 108.490 108.800 -0.040 0.000 2.938 307 G HA2 0.483 4.443 3.960 -0.000 0.000 0.258 307 G HA3 0.483 4.443 3.960 -0.000 0.000 0.258 307 G C -0.576 174.305 174.900 -0.031 0.000 1.356 307 G CA -0.850 44.230 45.100 -0.033 0.000 1.052 307 G HN 0.239 nan 8.290 nan 0.000 0.550 308 K N -0.058 120.325 120.400 -0.028 0.000 2.185 308 K HA 0.422 4.742 4.320 -0.000 0.000 0.271 308 K C 1.402 177.988 176.600 -0.024 0.000 1.013 308 K CA 0.144 56.416 56.287 -0.024 0.000 0.943 308 K CB 1.677 34.164 32.500 -0.022 0.000 0.998 308 K HN 0.429 nan 8.250 nan 0.000 0.468 309 A N 3.435 126.243 122.820 -0.021 0.000 2.016 309 A HA -0.343 3.977 4.320 -0.000 0.000 0.225 309 A C 1.555 179.126 177.584 -0.020 0.000 1.230 309 A CA 2.303 54.328 52.037 -0.020 0.000 0.678 309 A CB -0.787 18.203 19.000 -0.016 0.000 0.826 309 A HN 0.922 nan 8.150 nan 0.000 0.484 310 N N 0.217 118.904 118.700 -0.021 0.000 2.133 310 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 310 N C 1.471 176.966 175.510 -0.025 0.000 1.012 310 N CA 1.866 54.902 53.050 -0.023 0.000 0.871 310 N CB -0.606 37.867 38.487 -0.025 0.000 1.011 310 N HN 0.638 nan 8.380 nan 0.000 0.435 311 L N 0.810 122.017 121.223 -0.026 0.000 2.551 311 L HA 0.046 4.386 4.340 -0.000 0.000 0.228 311 L C 0.433 177.292 176.870 -0.019 0.000 1.153 311 L CA 0.237 55.061 54.840 -0.026 0.000 0.851 311 L CB -0.114 41.928 42.059 -0.028 0.000 0.959 311 L HN -0.104 nan 8.230 nan 0.000 0.451 312 V N -1.055 118.848 119.914 -0.019 0.000 2.914 312 V HA 0.285 4.405 4.120 -0.000 0.000 0.314 312 V C 0.012 176.095 176.094 -0.018 0.000 1.084 312 V CA -1.073 61.217 62.300 -0.017 0.000 0.963 312 V CB 2.153 33.964 31.823 -0.020 0.000 1.025 312 V HN 0.058 nan 8.190 nan 0.000 0.432 313 N N 1.890 120.579 118.700 -0.018 0.000 2.492 313 N HA 0.169 4.909 4.740 -0.000 0.000 0.260 313 N C -0.493 175.005 175.510 -0.020 0.000 1.215 313 N CA -0.362 52.676 53.050 -0.020 0.000 0.923 313 N CB 0.951 39.425 38.487 -0.023 0.000 1.092 313 N HN 0.597 nan 8.380 nan 0.000 0.448 314 K N 2.150 122.535 120.400 -0.025 0.000 2.312 314 K HA 0.325 4.645 4.320 -0.000 0.000 0.287 314 K C -2.258 174.326 176.600 -0.026 0.000 1.062 314 K CA -1.444 54.828 56.287 -0.024 0.000 0.934 314 K CB -0.170 32.312 32.500 -0.029 0.000 1.027 314 K HN 0.310 nan 8.250 nan 0.000 0.478 315 P HA 0.075 nan 4.420 nan 0.000 0.276 315 P C -0.730 176.555 177.300 -0.026 0.000 1.243 315 P CA -0.275 62.821 63.100 -0.006 0.000 0.768 315 P CB 0.594 32.296 31.700 0.004 0.000 0.856 316 L N 5.504 126.697 121.223 -0.049 0.000 2.349 316 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 316 L C -1.909 174.971 176.870 0.016 0.000 1.115 316 L CA -2.170 52.598 54.840 -0.120 0.000 0.820 316 L CB -0.235 41.629 42.059 -0.325 0.000 1.135 316 L HN 0.202 nan 8.230 nan 0.000 0.445 317 P HA 0.242 nan 4.420 nan 0.000 0.276 317 P C -0.718 176.704 177.300 0.204 0.000 1.235 317 P CA -0.429 62.751 63.100 0.133 0.000 0.772 317 P CB 0.548 32.334 31.700 0.143 0.000 0.871 318 R N 2.367 122.958 120.500 0.153 0.000 2.442 318 R HA 0.244 4.584 4.340 -0.000 0.000 0.291 318 R C 0.019 176.451 176.300 0.220 0.000 1.069 318 R CA -0.354 55.857 56.100 0.185 0.000 1.022 318 R CB 0.068 30.449 30.300 0.136 0.000 0.976 318 R HN 0.465 nan 8.270 nan 0.000 0.443 319 L N 3.598 124.985 121.223 0.272 0.000 2.350 319 L HA 0.350 4.690 4.340 -0.000 0.000 0.275 319 L C 0.809 177.925 176.870 0.409 0.000 1.099 319 L CA -0.705 54.309 54.840 0.291 0.000 0.808 319 L CB 0.682 42.881 42.059 0.232 0.000 1.149 319 L HN 0.332 nan 8.230 nan 0.000 0.442 320 R N 0.538 121.252 120.500 0.357 0.000 2.390 320 R HA 0.143 4.483 4.340 -0.000 0.000 0.291 320 R C -0.467 176.194 176.300 0.602 0.000 1.070 320 R CA -0.732 55.646 56.100 0.465 0.000 1.014 320 R CB 0.663 31.158 30.300 0.326 0.000 1.007 320 R HN 0.439 nan 8.270 nan 0.000 0.466 321 H N 2.800 122.262 119.070 0.654 0.000 3.109 321 H HA 0.082 4.638 4.556 -0.000 0.000 0.266 321 H C 1.402 176.917 175.328 0.311 0.000 1.334 321 H CA -0.155 56.100 56.048 0.345 0.000 1.456 321 H CB -0.257 29.561 29.762 0.092 0.000 1.587 321 H HN 0.413 nan 8.280 nan 0.000 0.500 322 I N 3.990 124.634 120.570 0.123 0.000 2.285 322 I HA -0.379 3.791 4.170 -0.000 0.000 0.253 322 I C 2.615 178.719 176.117 -0.022 0.000 1.104 322 I CA 1.700 63.032 61.300 0.054 0.000 1.372 322 I CB -1.254 36.767 38.000 0.034 0.000 1.057 322 I HN 0.833 nan 8.210 nan 0.000 0.431 323 W N 0.590 121.627 121.300 -0.438 0.000 2.304 323 W HA -0.299 4.360 4.660 -0.000 0.000 0.315 323 W C 2.277 178.743 176.519 -0.090 0.000 1.233 323 W CA 1.840 58.985 57.345 -0.333 0.000 1.261 323 W CB -0.782 28.324 29.460 -0.590 0.000 1.150 323 W HN 0.344 nan 8.180 nan 0.000 0.494 324 F N 1.270 121.265 119.950 0.076 0.000 2.408 324 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 324 F C 1.959 177.792 175.800 0.056 0.000 1.090 324 F CA 1.580 59.604 58.000 0.041 0.000 1.427 324 F CB -0.378 38.557 39.000 -0.108 0.000 1.070 324 F HN -0.181 nan 8.300 nan 0.000 0.549 325 D N -0.358 120.135 120.400 0.156 0.000 2.327 325 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 325 D C 0.586 176.853 176.300 -0.055 0.000 0.989 325 D CA 0.233 54.284 54.000 0.086 0.000 0.873 325 D CB -0.131 40.724 40.800 0.093 0.000 0.955 325 D HN 0.140 nan 8.370 nan 0.000 0.515 326 K N 1.246 121.510 120.400 -0.227 0.000 2.476 326 K HA -0.029 4.291 4.320 -0.000 0.000 0.273 326 K C 1.137 177.497 176.600 -0.401 0.000 1.056 326 K CA -0.104 55.907 56.287 -0.461 0.000 1.150 326 K CB 0.707 32.603 32.500 -1.006 0.000 0.838 326 K HN -0.022 nan 8.250 nan 0.000 0.486 327 A N 4.054 126.708 122.820 -0.276 0.000 2.076 327 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 327 A C 1.878 179.335 177.584 -0.212 0.000 1.160 327 A CA 1.530 53.459 52.037 -0.181 0.000 0.653 327 A CB -0.404 18.520 19.000 -0.127 0.000 0.801 327 A HN 0.900 nan 8.150 nan 0.000 0.455 328 Q N -1.570 117.994 119.800 -0.393 0.000 2.488 328 Q HA 0.103 4.443 4.340 -0.000 0.000 0.211 328 Q C -0.226 175.654 176.000 -0.200 0.000 0.967 328 Q CA 0.273 55.871 55.803 -0.342 0.000 0.926 328 Q CB -0.373 28.087 28.738 -0.464 0.000 0.992 328 Q HN 0.655 nan 8.270 nan 0.000 0.506 329 F N 0.887 120.753 119.950 -0.140 0.000 2.404 329 F HA 0.374 4.901 4.527 -0.000 0.000 0.354 329 F C 1.381 177.156 175.800 -0.042 0.000 1.122 329 F CA -1.275 56.662 58.000 -0.105 0.000 1.080 329 F CB 1.285 40.182 39.000 -0.171 0.000 1.131 329 F HN -0.097 nan 8.300 nan 0.000 0.471 330 R N 1.864 122.481 120.500 0.194 0.000 2.090 330 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 330 R C -0.199 176.175 176.300 0.122 0.000 1.110 330 R CA 1.286 57.459 56.100 0.122 0.000 0.973 330 R CB 0.103 30.462 30.300 0.099 0.000 0.869 330 R HN 0.883 nan 8.270 nan 0.000 0.440 331 N N -4.331 114.448 118.700 0.131 0.000 3.106 331 N HA 0.144 4.884 4.740 -0.000 0.000 0.253 331 N C 0.528 176.065 175.510 0.046 0.000 1.506 331 N CA -0.221 52.886 53.050 0.094 0.000 0.876 331 N CB 0.130 38.675 38.487 0.097 0.000 1.452 331 N HN -0.135 nan 8.380 nan 0.000 0.542 332 G N -0.320 108.450 108.800 -0.051 0.000 2.469 332 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 332 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 332 G C 0.630 175.402 174.900 -0.213 0.000 1.136 332 G CA 0.709 45.748 45.100 -0.102 0.000 0.759 332 G HN 0.470 nan 8.290 nan 0.000 0.562 333 F N 1.264 121.181 119.950 -0.055 0.000 2.293 333 F HA 0.015 4.542 4.527 -0.000 0.000 0.300 333 F C 2.330 178.176 175.800 0.076 0.000 1.086 333 F CA 1.076 59.002 58.000 -0.123 0.000 1.375 333 F CB 0.064 38.829 39.000 -0.392 0.000 1.045 333 F HN 0.080 nan 8.300 nan 0.000 0.516 334 D N 0.218 120.664 120.400 0.076 0.000 2.162 334 D HA -0.051 4.589 4.640 -0.000 0.000 0.203 334 D C 2.369 178.356 176.300 -0.522 0.000 0.967 334 D CA 1.181 55.141 54.000 -0.067 0.000 0.840 334 D CB -0.506 40.295 40.800 0.002 0.000 0.972 334 D HN 0.244 nan 8.370 nan 0.000 0.482 335 A N 1.026 123.347 122.820 -0.832 0.000 1.902 335 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 335 A C 2.569 180.007 177.584 -0.243 0.000 1.181 335 A CA 1.220 52.514 52.037 -1.238 0.000 0.623 335 A CB -0.638 17.867 19.000 -0.826 0.000 0.818 335 A HN 0.185 nan 8.150 nan 0.000 0.443 336 I N -0.389 120.158 120.570 -0.039 0.000 2.406 336 I HA -0.066 4.104 4.170 -0.000 0.000 0.249 336 I C 2.570 178.739 176.117 0.086 0.000 1.122 336 I CA 1.362 62.724 61.300 0.103 0.000 1.431 336 I CB -1.611 36.575 38.000 0.310 0.000 1.087 336 I HN 0.691 nan 8.210 nan 0.000 0.424 337 R N 1.284 121.872 120.500 0.148 0.000 2.096 337 R HA -0.260 4.080 4.340 -0.000 0.000 0.235 337 R C 2.212 178.527 176.300 0.024 0.000 1.127 337 R CA 2.263 58.390 56.100 0.045 0.000 0.968 337 R CB -0.388 29.990 30.300 0.131 0.000 0.861 337 R HN 0.567 nan 8.270 nan 0.000 0.440 338 E N 0.185 120.414 120.200 0.048 0.000 2.047 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 338 E C -0.159 176.522 176.600 0.135 0.000 0.987 338 E CA 1.295 57.784 56.400 0.149 0.000 0.799 338 E CB 0.290 30.162 29.700 0.286 0.000 0.752 338 E HN 0.248 nan 8.360 nan 0.000 0.449 339 R N 0.064 120.609 120.500 0.074 0.000 2.643 339 R HA 0.231 4.571 4.340 -0.000 0.000 0.269 339 R C -1.508 174.669 176.300 -0.206 0.000 1.037 339 R CA -0.844 55.182 56.100 -0.123 0.000 0.894 339 R CB 1.314 31.402 30.300 -0.353 0.000 1.238 339 R HN 0.024 nan 8.270 nan 0.000 0.459 340 D N 1.462 121.740 120.400 -0.204 0.000 2.458 340 D HA 0.109 4.749 4.640 -0.000 0.000 0.243 340 D C -0.446 175.694 176.300 -0.268 0.000 1.146 340 D CA 0.460 54.345 54.000 -0.192 0.000 0.877 340 D CB 1.024 41.717 40.800 -0.177 0.000 1.176 340 D HN 0.031 nan 8.370 nan 0.000 0.461 341 V N 3.656 123.441 119.914 -0.215 0.000 2.417 341 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 341 V C -0.244 175.736 176.094 -0.190 0.000 1.024 341 V CA -0.891 61.263 62.300 -0.245 0.000 0.861 341 V CB 1.619 33.331 31.823 -0.184 0.000 0.985 341 V HN 0.288 nan 8.190 nan 0.000 0.436 342 L N 6.799 127.877 121.223 -0.241 0.000 2.316 342 L HA 0.657 4.997 4.340 -0.000 0.000 0.280 342 L C -1.032 175.716 176.870 -0.203 0.000 1.006 342 L CA -0.146 54.586 54.840 -0.180 0.000 0.836 342 L CB 1.184 43.148 42.059 -0.160 0.000 1.221 342 L HN 0.420 nan 8.230 nan 0.000 0.418 343 L N 5.537 126.659 121.223 -0.168 0.000 2.322 343 L HA 0.436 4.776 4.340 -0.000 0.000 0.279 343 L C -0.954 175.887 176.870 -0.049 0.000 1.036 343 L CA -0.201 54.498 54.840 -0.234 0.000 0.807 343 L CB 1.244 43.122 42.059 -0.301 0.000 1.226 343 L HN 0.570 nan 8.230 nan 0.000 0.433 344 Y N 2.773 123.151 120.300 0.131 0.000 2.326 344 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 344 Y C -0.843 175.039 175.900 -0.031 0.000 0.962 344 Y CA -0.917 57.128 58.100 -0.092 0.000 1.167 344 Y CB 1.003 39.504 38.460 0.069 0.000 1.148 344 Y HN 0.503 nan 8.280 nan 0.000 0.463 345 Y N 6.386 126.703 120.300 0.028 0.000 2.307 345 Y HA 0.261 4.811 4.550 -0.000 0.000 0.324 345 Y C -1.564 173.983 175.900 -0.589 0.000 1.238 345 Y CA -2.399 55.618 58.100 -0.138 0.000 1.280 345 Y CB 0.628 39.067 38.460 -0.035 0.000 1.248 345 Y HN 0.492 nan 8.280 nan 0.000 0.508 346 P HA -0.017 nan 4.420 nan 0.000 0.257 346 P C 0.170 177.287 177.300 -0.305 0.000 1.281 346 P CA 0.739 63.597 63.100 -0.403 0.000 0.826 346 P CB -0.054 31.248 31.700 -0.664 0.000 1.237 347 Y N -0.750 119.525 120.300 -0.042 0.000 2.333 347 Y HA -0.105 4.445 4.550 -0.000 0.000 0.290 347 Y C 1.783 177.695 175.900 0.021 0.000 1.144 347 Y CA 0.855 58.973 58.100 0.030 0.000 1.228 347 Y CB -0.846 37.584 38.460 -0.050 0.000 0.985 347 Y HN 0.120 nan 8.280 nan 0.000 0.542 348 H N -0.486 118.779 119.070 0.325 0.000 2.567 348 H HA 0.294 4.850 4.556 -0.000 0.000 0.345 348 H C 0.184 175.741 175.328 0.381 0.000 1.169 348 H CA -0.528 55.727 56.048 0.345 0.000 1.227 348 H CB 1.334 31.290 29.762 0.323 0.000 1.607 348 H HN -0.041 nan 8.280 nan 0.000 0.534 349 T N -0.784 114.029 114.554 0.432 0.000 2.910 349 T HA 0.053 4.403 4.350 -0.000 0.000 0.293 349 T C 1.040 175.916 174.700 0.294 0.000 1.015 349 T CA -0.627 61.621 62.100 0.247 0.000 1.094 349 T CB 0.696 69.587 68.868 0.039 0.000 0.968 349 T HN 0.433 nan 8.240 nan 0.000 0.521 350 F N 0.945 120.887 119.950 -0.012 0.000 2.604 350 F HA 0.124 4.651 4.527 -0.000 0.000 0.298 350 F C 2.083 177.858 175.800 -0.040 0.000 1.131 350 F CA 0.229 58.146 58.000 -0.138 0.000 1.457 350 F CB -0.370 38.447 39.000 -0.304 0.000 1.095 350 F HN 0.699 nan 8.300 nan 0.000 0.574 351 E N -0.289 119.877 120.200 -0.057 0.000 2.284 351 E HA -0.242 4.108 4.350 -0.000 0.000 0.200 351 E C 2.009 178.437 176.600 -0.286 0.000 1.008 351 E CA 1.522 57.819 56.400 -0.171 0.000 0.829 351 E CB -0.326 29.273 29.700 -0.169 0.000 0.744 351 E HN 0.484 nan 8.360 nan 0.000 0.491 352 H N -1.175 117.785 119.070 -0.183 0.000 2.284 352 H HA -0.005 4.551 4.556 -0.000 0.000 0.304 352 H C 2.232 177.326 175.328 -0.390 0.000 1.069 352 H CA 1.519 57.350 56.048 -0.360 0.000 1.327 352 H CB -0.682 28.795 29.762 -0.476 0.000 1.387 352 H HN 0.069 nan 8.280 nan 0.000 0.498 353 V N 1.677 121.441 119.914 -0.250 0.000 2.370 353 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 353 V C 2.801 178.736 176.094 -0.265 0.000 1.068 353 V CA 1.478 63.638 62.300 -0.233 0.000 1.061 353 V CB -0.692 30.855 31.823 -0.460 0.000 0.656 353 V HN 0.263 nan 8.190 nan 0.000 0.455 354 L N -0.860 120.144 121.223 -0.364 0.000 2.156 354 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 354 L C 2.478 179.263 176.870 -0.141 0.000 1.095 354 L CA 1.367 56.090 54.840 -0.194 0.000 0.770 354 L CB -0.444 41.549 42.059 -0.110 0.000 0.914 354 L HN 0.390 nan 8.230 nan 0.000 0.439 355 E N 0.062 120.169 120.200 -0.154 0.000 2.046 355 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 355 E C 2.313 178.830 176.600 -0.138 0.000 0.982 355 E CA 0.645 56.976 56.400 -0.115 0.000 0.800 355 E CB 0.047 29.683 29.700 -0.108 0.000 0.756 355 E HN 0.332 nan 8.360 nan 0.000 0.449 356 L N 0.862 121.963 121.223 -0.203 0.000 1.990 356 L HA -0.252 4.088 4.340 -0.000 0.000 0.213 356 L C 2.336 179.084 176.870 -0.203 0.000 1.072 356 L CA 1.421 56.104 54.840 -0.262 0.000 0.755 356 L CB -0.309 41.620 42.059 -0.217 0.000 0.889 356 L HN 0.272 nan 8.230 nan 0.000 0.432 357 L N -0.728 120.368 121.223 -0.210 0.000 2.127 357 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 357 L C 2.732 179.523 176.870 -0.131 0.000 1.089 357 L CA 1.152 55.843 54.840 -0.249 0.000 0.757 357 L CB -0.534 41.347 42.059 -0.297 0.000 0.899 357 L HN 0.319 nan 8.230 nan 0.000 0.434 358 R N -0.151 120.300 120.500 -0.081 0.000 2.148 358 R HA -0.134 4.206 4.340 -0.000 0.000 0.223 358 R C 2.197 178.572 176.300 0.125 0.000 1.088 358 R CA 0.980 57.081 56.100 0.002 0.000 0.985 358 R CB 0.089 30.389 30.300 -0.000 0.000 0.880 358 R HN 0.490 nan 8.270 nan 0.000 0.451 359 Q N -0.336 119.477 119.800 0.021 0.000 2.020 359 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 359 Q C 2.160 178.035 176.000 -0.209 0.000 0.974 359 Q CA 1.314 57.044 55.803 -0.121 0.000 0.829 359 Q CB -0.132 28.552 28.738 -0.090 0.000 0.894 359 Q HN 0.343 nan 8.270 nan 0.000 0.433 360 A N 1.504 124.328 122.820 0.006 0.000 2.084 360 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 360 A C 2.207 179.750 177.584 -0.069 0.000 1.161 360 A CA 1.845 53.883 52.037 0.000 0.000 0.653 360 A CB -0.717 18.316 19.000 0.055 0.000 0.802 360 A HN 0.464 nan 8.150 nan 0.000 0.457 361 S N -1.210 114.486 115.700 -0.007 0.000 2.515 361 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 361 S C 1.057 175.781 174.600 0.207 0.000 0.987 361 S CA 0.984 59.238 58.200 0.089 0.000 0.936 361 S CB -0.512 62.763 63.200 0.124 0.000 0.766 361 S HN 1.173 nan 8.310 nan 0.000 0.528 362 F N -0.177 119.786 119.950 0.021 0.000 2.974 362 F HA 0.470 4.997 4.527 -0.000 0.000 0.357 362 F C -0.314 175.496 175.800 0.017 0.000 1.114 362 F CA -0.984 57.035 58.000 0.031 0.000 1.099 362 F CB -0.200 38.826 39.000 0.043 0.000 1.205 362 F HN 0.030 nan 8.300 nan 0.000 0.535 363 D N 3.976 124.047 120.400 -0.548 0.000 2.358 363 D HA 0.193 4.833 4.640 -0.000 0.000 0.258 363 D C -1.655 174.527 176.300 -0.197 0.000 1.223 363 D CA -2.106 51.639 54.000 -0.425 0.000 0.886 363 D CB 1.475 42.037 40.800 -0.397 0.000 1.120 363 D HN -0.028 nan 8.370 nan 0.000 0.482 364 P HA -0.212 nan 4.420 nan 0.000 0.217 364 P C 1.157 178.404 177.300 -0.088 0.000 1.151 364 P CA 1.613 64.679 63.100 -0.056 0.000 0.849 364 P CB 0.047 31.733 31.700 -0.022 0.000 0.787 365 S N -2.068 113.552 115.700 -0.134 0.000 2.489 365 S HA -0.006 4.464 4.470 -0.000 0.000 0.228 365 S C 0.863 175.347 174.600 -0.193 0.000 0.995 365 S CA 0.097 58.208 58.200 -0.148 0.000 0.934 365 S CB -1.156 61.947 63.200 -0.161 0.000 0.771 365 S HN -0.120 nan 8.310 nan 0.000 0.522 366 V N 3.194 122.965 119.914 -0.239 0.000 2.446 366 V HA 0.164 4.284 4.120 -0.000 0.000 0.276 366 V C 1.164 177.179 176.094 -0.132 0.000 1.030 366 V CA 0.037 62.193 62.300 -0.240 0.000 1.033 366 V CB 0.481 32.153 31.823 -0.252 0.000 0.993 366 V HN 0.464 nan 8.190 nan 0.000 0.477 367 L N 4.221 125.382 121.223 -0.104 0.000 2.200 367 L HA 0.466 4.806 4.340 -0.000 0.000 0.200 367 L C 1.003 177.841 176.870 -0.052 0.000 1.072 367 L CA 1.042 55.845 54.840 -0.062 0.000 0.787 367 L CB -0.160 41.872 42.059 -0.045 0.000 0.957 367 L HN 0.724 nan 8.230 nan 0.000 0.459 368 A N -0.350 122.436 122.820 -0.056 0.000 2.593 368 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 368 A C -1.433 176.113 177.584 -0.063 0.000 1.126 368 A CA -0.337 51.666 52.037 -0.056 0.000 0.695 368 A CB 1.895 20.865 19.000 -0.050 0.000 1.290 368 A HN -0.160 nan 8.150 nan 0.000 0.414 369 I N 0.934 121.453 120.570 -0.086 0.000 2.586 369 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 369 I C -0.606 175.408 176.117 -0.172 0.000 1.147 369 I CA -0.854 60.383 61.300 -0.104 0.000 1.047 369 I CB 1.467 39.394 38.000 -0.121 0.000 1.244 369 I HN 0.774 nan 8.210 nan 0.000 0.429 370 K N 3.510 123.755 120.400 -0.257 0.000 2.270 370 K HA 0.900 5.219 4.320 -0.000 0.000 0.255 370 K C -1.144 175.171 176.600 -0.475 0.000 0.936 370 K CA -0.682 55.270 56.287 -0.558 0.000 0.809 370 K CB 2.813 34.686 32.500 -1.046 0.000 1.131 370 K HN 0.483 nan 8.250 nan 0.000 0.427 371 I N 2.335 122.773 120.570 -0.219 0.000 2.828 371 I HA 0.255 4.425 4.170 -0.000 0.000 0.295 371 I C -1.807 174.474 176.117 0.273 0.000 1.459 371 I CA -0.839 60.597 61.300 0.228 0.000 1.015 371 I CB 2.125 40.155 38.000 0.051 0.000 1.345 371 I HN 0.901 nan 8.210 nan 0.000 0.449 372 N N 4.766 123.683 118.700 0.362 0.000 2.443 372 N HA 0.544 5.284 4.740 -0.000 0.000 0.295 372 N C -0.964 174.595 175.510 0.080 0.000 1.076 372 N CA -0.333 52.857 53.050 0.234 0.000 0.919 372 N CB 1.975 40.623 38.487 0.268 0.000 1.176 372 N HN 0.527 nan 8.380 nan 0.000 0.487 373 I N 2.723 123.350 120.570 0.096 0.000 2.412 373 I HA 0.136 4.306 4.170 -0.000 0.000 0.279 373 I C -0.025 176.258 176.117 0.276 0.000 1.063 373 I CA -0.778 60.594 61.300 0.121 0.000 1.193 373 I CB -1.073 36.986 38.000 0.098 0.000 1.370 373 I HN 0.678 nan 8.210 nan 0.000 0.479 374 Y N 5.445 125.857 120.300 0.187 0.000 3.255 374 Y HA 0.402 4.952 4.550 -0.000 0.000 0.254 374 Y C 1.382 177.398 175.900 0.194 0.000 0.887 374 Y CA -0.002 58.211 58.100 0.188 0.000 1.161 374 Y CB 0.348 38.928 38.460 0.200 0.000 1.152 374 Y HN 0.374 nan 8.280 nan 0.000 0.513 375 R N 1.784 122.156 120.500 -0.213 0.000 4.017 375 R HA 0.308 4.648 4.340 -0.000 0.000 0.272 375 R C -0.354 175.966 176.300 0.034 0.000 1.516 375 R CA -0.209 55.741 56.100 -0.250 0.000 1.519 375 R CB -0.277 29.689 30.300 -0.556 0.000 1.422 375 R HN 0.337 nan 8.270 nan 0.000 0.719 376 V N -1.519 118.495 119.914 0.167 0.000 3.697 376 V HA 0.520 4.640 4.120 -0.000 0.000 0.285 376 V C 0.906 177.078 176.094 0.129 0.000 1.041 376 V CA -0.990 61.416 62.300 0.178 0.000 1.045 376 V CB 0.484 32.429 31.823 0.203 0.000 1.227 376 V HN 0.368 nan 8.190 nan 0.000 0.448 377 A N 0.197 123.067 122.820 0.084 0.000 2.366 377 A HA 0.337 4.657 4.320 -0.000 0.000 0.249 377 A C 0.530 178.216 177.584 0.170 0.000 1.084 377 A CA -0.519 51.560 52.037 0.071 0.000 0.794 377 A CB -0.255 18.750 19.000 0.010 0.000 1.034 377 A HN 0.884 nan 8.150 nan 0.000 0.491 378 K N 1.485 121.984 120.400 0.166 0.000 2.484 378 K HA 0.028 4.348 4.320 -0.000 0.000 0.280 378 K C -0.684 176.075 176.600 0.265 0.000 1.013 378 K CA 0.440 56.885 56.287 0.263 0.000 1.029 378 K CB 0.030 32.629 32.500 0.163 0.000 0.902 378 K HN 0.689 nan 8.250 nan 0.000 0.481 379 D N 1.800 122.477 120.400 0.462 0.000 3.003 379 D HA -0.148 4.492 4.640 -0.000 0.000 0.223 379 D C -0.738 175.476 176.300 -0.143 0.000 1.204 379 D CA 0.698 54.725 54.000 0.044 0.000 0.828 379 D CB -0.632 40.238 40.800 0.116 0.000 0.918 379 D HN 0.432 nan 8.370 nan 0.000 0.401 380 S N 0.444 115.961 115.700 -0.305 0.000 2.558 380 S HA -0.066 4.404 4.470 -0.000 0.000 0.291 380 S C 1.653 176.138 174.600 -0.192 0.000 1.306 380 S CA -0.152 57.918 58.200 -0.216 0.000 1.056 380 S CB 1.704 64.742 63.200 -0.271 0.000 0.836 380 S HN 0.396 nan 8.310 nan 0.000 0.504 381 R N 2.180 122.624 120.500 -0.094 0.000 2.297 381 R HA 0.056 4.396 4.340 -0.000 0.000 0.197 381 R C 1.451 177.697 176.300 -0.090 0.000 0.943 381 R CA 0.385 56.440 56.100 -0.074 0.000 1.038 381 R CB -0.083 30.202 30.300 -0.026 0.000 0.957 381 R HN 0.587 nan 8.270 nan 0.000 0.484 382 I N -0.160 120.346 120.570 -0.106 0.000 2.406 382 I HA -0.140 4.030 4.170 -0.000 0.000 0.249 382 I C 2.536 178.543 176.117 -0.185 0.000 1.122 382 I CA 0.458 61.676 61.300 -0.136 0.000 1.431 382 I CB -0.537 37.373 38.000 -0.150 0.000 1.087 382 I HN 0.114 nan 8.210 nan 0.000 0.424 383 I N 0.958 121.385 120.570 -0.238 0.000 2.208 383 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 383 I C 2.260 178.276 176.117 -0.168 0.000 1.097 383 I CA 1.923 63.069 61.300 -0.256 0.000 1.363 383 I CB -1.526 36.236 38.000 -0.396 0.000 1.051 383 I HN 0.465 nan 8.210 nan 0.000 0.413 384 D N 0.161 120.482 120.400 -0.132 0.000 2.144 384 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 384 D C 2.369 178.680 176.300 0.018 0.000 0.984 384 D CA 1.613 55.589 54.000 -0.040 0.000 0.834 384 D CB -0.383 40.398 40.800 -0.031 0.000 0.955 384 D HN 0.351 nan 8.370 nan 0.000 0.465 385 S N -0.097 115.570 115.700 -0.056 0.000 2.368 385 S HA -0.087 4.383 4.470 -0.000 0.000 0.224 385 S C 1.839 176.419 174.600 -0.034 0.000 1.029 385 S CA 0.760 58.928 58.200 -0.052 0.000 0.988 385 S CB -0.069 63.070 63.200 -0.103 0.000 0.838 385 S HN 0.213 nan 8.310 nan 0.000 0.462 386 M N 0.954 120.497 119.600 -0.094 0.000 2.296 386 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 386 M C 2.179 178.411 176.300 -0.114 0.000 1.064 386 M CA 0.800 56.034 55.300 -0.110 0.000 1.109 386 M CB -1.559 30.957 32.600 -0.141 0.000 1.396 386 M HN 0.254 nan 8.290 nan 0.000 0.430 387 I N -1.038 119.462 120.570 -0.118 0.000 2.252 387 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 387 I C 2.309 178.221 176.117 -0.341 0.000 1.102 387 I CA 1.255 62.404 61.300 -0.253 0.000 1.385 387 I CB -1.728 36.155 38.000 -0.194 0.000 1.064 387 I HN 0.352 nan 8.210 nan 0.000 0.414 388 H N 0.834 119.808 119.070 -0.161 0.000 2.321 388 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 388 H C 2.362 177.677 175.328 -0.021 0.000 1.087 388 H CA 1.912 57.940 56.048 -0.035 0.000 1.319 388 H CB -0.591 29.189 29.762 0.029 0.000 1.379 388 H HN 0.393 nan 8.280 nan 0.000 0.501 389 A N 0.819 123.687 122.820 0.081 0.000 1.917 389 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 389 A C 2.563 180.138 177.584 -0.015 0.000 1.182 389 A CA 1.963 54.018 52.037 0.029 0.000 0.633 389 A CB -1.257 17.730 19.000 -0.022 0.000 0.819 389 A HN 0.502 nan 8.150 nan 0.000 0.448 390 A N -0.878 121.885 122.820 -0.094 0.000 1.851 390 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 390 A C 2.003 179.567 177.584 -0.034 0.000 1.195 390 A CA 1.818 53.790 52.037 -0.108 0.000 0.622 390 A CB -1.085 17.788 19.000 -0.212 0.000 0.831 390 A HN 0.635 nan 8.150 nan 0.000 0.444 391 H N 0.087 119.132 119.070 -0.042 0.000 2.489 391 H HA -0.040 4.516 4.556 -0.000 0.000 0.295 391 H C 0.942 176.255 175.328 -0.026 0.000 1.082 391 H CA 1.326 57.338 56.048 -0.060 0.000 1.295 391 H CB -0.153 29.524 29.762 -0.142 0.000 1.380 391 H HN 0.434 nan 8.280 nan 0.000 0.548 392 N N -0.389 118.380 118.700 0.115 0.000 2.230 392 N HA 0.092 4.832 4.740 -0.000 0.000 0.202 392 N C 1.278 176.822 175.510 0.056 0.000 1.119 392 N CA 0.767 53.873 53.050 0.094 0.000 0.851 392 N CB 1.497 40.061 38.487 0.128 0.000 0.990 392 N HN 0.513 nan 8.380 nan 0.000 0.497 393 G N 1.328 110.154 108.800 0.042 0.000 3.405 393 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 393 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 393 G C -1.019 173.884 174.900 0.005 0.000 1.852 393 G CA -0.490 44.623 45.100 0.022 0.000 1.510 393 G HN 0.177 nan 8.290 nan 0.000 0.570 394 K N 1.351 121.747 120.400 -0.007 0.000 2.596 394 K HA -0.206 4.114 4.320 -0.000 0.000 0.300 394 K C 0.344 176.928 176.600 -0.025 0.000 1.132 394 K CA 1.276 57.547 56.287 -0.025 0.000 1.094 394 K CB -0.121 32.358 32.500 -0.035 0.000 0.956 394 K HN 0.922 nan 8.250 nan 0.000 0.430 395 K N 2.997 123.381 120.400 -0.028 0.000 2.294 395 K HA 0.100 4.420 4.320 -0.000 0.000 0.288 395 K C -0.595 175.979 176.600 -0.043 0.000 1.072 395 K CA -0.319 55.954 56.287 -0.023 0.000 0.960 395 K CB 0.375 32.860 32.500 -0.024 0.000 1.043 395 K HN 0.312 nan 8.250 nan 0.000 0.455 396 V N 4.607 124.500 119.914 -0.035 0.000 2.383 396 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 396 V C -0.133 175.938 176.094 -0.038 0.000 1.036 396 V CA -0.589 61.677 62.300 -0.057 0.000 0.889 396 V CB 1.396 33.180 31.823 -0.065 0.000 0.985 396 V HN 0.743 nan 8.190 nan 0.000 0.459 397 T N 4.605 119.106 114.554 -0.088 0.000 2.779 397 T HA 0.650 5.000 4.350 -0.000 0.000 0.280 397 T C -0.442 174.207 174.700 -0.085 0.000 0.987 397 T CA -0.480 61.570 62.100 -0.083 0.000 0.966 397 T CB 1.672 70.430 68.868 -0.184 0.000 0.933 397 T HN 0.332 nan 8.240 nan 0.000 0.442 398 V N 3.690 123.594 119.914 -0.017 0.000 2.525 398 V HA 0.400 4.520 4.120 -0.000 0.000 0.299 398 V C -0.283 175.814 176.094 0.005 0.000 1.034 398 V CA -0.855 61.431 62.300 -0.023 0.000 0.863 398 V CB 2.028 33.814 31.823 -0.061 0.000 0.999 398 V HN 0.747 nan 8.190 nan 0.000 0.423 399 V N 5.786 125.741 119.914 0.070 0.000 2.407 399 V HA 0.472 4.592 4.120 -0.000 0.000 0.278 399 V C -0.062 176.038 176.094 0.010 0.000 1.037 399 V CA -0.489 61.852 62.300 0.069 0.000 0.900 399 V CB 1.715 33.655 31.823 0.195 0.000 0.983 399 V HN 0.734 nan 8.190 nan 0.000 0.459 400 V N 2.495 122.336 119.914 -0.121 0.000 2.376 400 V HA 0.637 4.757 4.120 -0.000 0.000 0.287 400 V C -0.155 175.941 176.094 0.003 0.000 1.015 400 V CA -0.772 61.473 62.300 -0.092 0.000 0.834 400 V CB 1.320 32.985 31.823 -0.263 0.000 1.001 400 V HN 1.003 nan 8.190 nan 0.000 0.428 401 E N 5.967 126.247 120.200 0.134 0.000 2.354 401 E HA 0.443 4.793 4.350 -0.000 0.000 0.269 401 E C 0.319 177.033 176.600 0.189 0.000 1.036 401 E CA -0.666 55.845 56.400 0.186 0.000 0.876 401 E CB 1.648 31.501 29.700 0.256 0.000 1.009 401 E HN 0.885 nan 8.360 nan 0.000 0.416 402 L N 0.094 121.436 121.223 0.199 0.000 2.700 402 L HA 0.367 4.707 4.340 -0.000 0.000 0.234 402 L C -0.371 176.561 176.870 0.102 0.000 1.156 402 L CA -0.548 54.393 54.840 0.168 0.000 0.946 402 L CB -0.232 41.960 42.059 0.222 0.000 1.216 402 L HN 0.477 nan 8.230 nan 0.000 0.493 403 Q N 1.128 120.999 119.800 0.119 0.000 3.068 403 Q HA 0.604 4.944 4.340 -0.000 0.000 0.209 403 Q C -0.509 175.576 176.000 0.142 0.000 0.802 403 Q CA 0.011 55.868 55.803 0.091 0.000 0.848 403 Q CB 2.055 30.836 28.738 0.072 0.000 1.459 403 Q HN 0.406 nan 8.270 nan 0.000 0.455 404 A N 1.249 124.133 122.820 0.107 0.000 2.621 404 A HA 0.479 4.799 4.320 -0.000 0.000 0.267 404 A C 0.799 178.472 177.584 0.148 0.000 1.506 404 A CA -0.177 51.946 52.037 0.144 0.000 0.873 404 A CB 0.578 19.480 19.000 -0.164 0.000 1.577 404 A HN 0.700 nan 8.150 nan 0.000 0.536 405 R N -2.446 118.164 120.500 0.183 0.000 2.062 405 R HA 0.047 4.387 4.340 -0.000 0.000 0.229 405 R C 0.751 177.283 176.300 0.387 0.000 1.128 405 R CA 1.620 57.867 56.100 0.244 0.000 0.960 405 R CB -0.170 30.266 30.300 0.226 0.000 0.855 405 R HN 0.676 nan 8.270 nan 0.000 0.432 406 F N -0.749 119.205 119.950 0.007 0.000 2.835 406 F HA 0.190 4.716 4.527 -0.000 0.000 0.341 406 F C -0.112 175.670 175.800 -0.030 0.000 0.940 406 F CA -0.340 57.661 58.000 0.002 0.000 1.125 406 F CB 0.843 39.857 39.000 0.023 0.000 0.974 406 F HN -0.244 nan 8.300 nan 0.000 0.601 407 D N 1.713 122.156 120.400 0.072 0.000 2.767 407 D HA 0.096 4.736 4.640 -0.000 0.000 0.241 407 D C 0.888 177.133 176.300 -0.090 0.000 1.187 407 D CA 0.242 54.218 54.000 -0.041 0.000 0.999 407 D CB 0.212 40.963 40.800 -0.082 0.000 1.042 407 D HN 0.580 nan 8.370 nan 0.000 0.510 408 E N 0.254 120.409 120.200 -0.076 0.000 2.067 408 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 408 E C 0.917 177.462 176.600 -0.091 0.000 0.950 408 E CA -0.036 56.326 56.400 -0.063 0.000 0.872 408 E CB -0.246 29.425 29.700 -0.048 0.000 0.877 408 E HN 0.039 nan 8.360 nan 0.000 0.470 409 E N 0.888 121.021 120.200 -0.111 0.000 2.510 409 E HA -0.042 4.308 4.350 -0.000 0.000 0.202 409 E C 1.215 177.703 176.600 -0.188 0.000 1.072 409 E CA 0.503 56.825 56.400 -0.130 0.000 0.883 409 E CB -0.011 29.622 29.700 -0.113 0.000 0.818 409 E HN 0.413 nan 8.360 nan 0.000 0.548 410 A N 0.900 123.577 122.820 -0.239 0.000 2.307 410 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 410 A C 0.995 178.142 177.584 -0.728 0.000 1.228 410 A CA 0.008 51.781 52.037 -0.440 0.000 0.857 410 A CB 0.251 19.054 19.000 -0.327 0.000 0.897 410 A HN 0.083 nan 8.150 nan 0.000 0.495 411 N N -1.015 117.452 118.700 -0.387 0.000 2.184 411 N HA 0.093 4.833 4.740 -0.000 0.000 0.234 411 N C 0.487 175.994 175.510 -0.005 0.000 1.282 411 N CA 0.305 53.229 53.050 -0.211 0.000 0.877 411 N CB 0.965 39.454 38.487 0.003 0.000 1.184 411 N HN 0.259 nan 8.380 nan 0.000 0.510 412 I N -0.256 120.262 120.570 -0.086 0.000 3.783 412 I HA 0.100 4.270 4.170 -0.000 0.000 0.310 412 I C 1.723 177.798 176.117 -0.070 0.000 1.274 412 I CA 0.374 61.649 61.300 -0.042 0.000 1.294 412 I CB -0.778 37.120 38.000 -0.171 0.000 1.051 412 I HN 0.263 nan 8.210 nan 0.000 0.435 413 H N -2.044 117.041 119.070 0.025 0.000 2.557 413 H HA 0.115 4.671 4.556 -0.000 0.000 0.281 413 H C 1.286 176.818 175.328 0.340 0.000 0.990 413 H CA -0.027 56.091 56.048 0.116 0.000 1.278 413 H CB -0.039 29.733 29.762 0.018 0.000 1.451 413 H HN 0.483 nan 8.280 nan 0.000 0.516 414 W N 1.866 123.266 121.300 0.166 0.000 2.612 414 W HA 0.139 4.799 4.660 -0.000 0.000 0.359 414 W C 0.801 177.351 176.519 0.051 0.000 0.990 414 W CA 0.088 57.483 57.345 0.082 0.000 2.114 414 W CB 0.052 29.537 29.460 0.041 0.000 0.791 414 W HN 0.258 nan 8.180 nan 0.000 0.603 415 A N -0.101 122.911 122.820 0.320 0.000 1.655 415 A HA -0.066 4.254 4.320 -0.000 0.000 0.180 415 A C 1.830 179.530 177.584 0.194 0.000 1.582 415 A CA 0.058 52.227 52.037 0.220 0.000 1.292 415 A CB -0.240 18.954 19.000 0.324 0.000 1.144 415 A HN 0.177 nan 8.150 nan 0.000 0.609 416 K N 1.525 122.054 120.400 0.216 0.000 2.207 416 K HA -0.331 3.989 4.320 -0.000 0.000 0.208 416 K C 1.852 178.522 176.600 0.118 0.000 1.046 416 K CA 1.979 58.360 56.287 0.156 0.000 0.929 416 K CB -0.543 32.047 32.500 0.151 0.000 0.720 416 K HN 0.639 nan 8.250 nan 0.000 0.463 417 R N 1.473 122.047 120.500 0.124 0.000 2.075 417 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 417 R C 2.622 178.947 176.300 0.042 0.000 1.140 417 R CA 1.373 57.521 56.100 0.080 0.000 0.928 417 R CB -1.143 29.204 30.300 0.078 0.000 0.834 417 R HN 0.053 nan 8.270 nan 0.000 0.429 418 L N 1.645 122.883 121.223 0.026 0.000 1.963 418 L HA -0.270 4.070 4.340 -0.000 0.000 0.220 418 L C 2.937 179.806 176.870 -0.002 0.000 1.076 418 L CA 2.354 57.187 54.840 -0.013 0.000 0.772 418 L CB -1.501 40.545 42.059 -0.021 0.000 0.892 418 L HN 0.526 nan 8.230 nan 0.000 0.435 419 T N -2.675 111.895 114.554 0.026 0.000 2.653 419 T HA -0.370 3.980 4.350 -0.000 0.000 0.267 419 T C 1.657 176.369 174.700 0.020 0.000 1.037 419 T CA 1.965 64.079 62.100 0.023 0.000 1.159 419 T CB -0.662 68.234 68.868 0.046 0.000 0.859 419 T HN 0.403 nan 8.240 nan 0.000 0.449 420 E N 1.403 121.622 120.200 0.031 0.000 2.118 420 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 420 E C 2.347 178.973 176.600 0.043 0.000 0.992 420 E CA 1.163 57.584 56.400 0.036 0.000 0.804 420 E CB -0.332 29.394 29.700 0.044 0.000 0.741 420 E HN 0.725 nan 8.360 nan 0.000 0.458 421 A N -0.621 122.216 122.820 0.029 0.000 2.178 421 A HA 0.214 4.534 4.320 -0.000 0.000 0.211 421 A C 1.517 179.105 177.584 0.006 0.000 1.157 421 A CA 1.060 53.121 52.037 0.040 0.000 0.780 421 A CB 0.307 19.245 19.000 -0.103 0.000 0.828 421 A HN 0.381 nan 8.150 nan 0.000 0.476 422 G N -1.820 106.976 108.800 -0.006 0.000 2.155 422 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.130 422 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.130 422 G C -0.158 174.737 174.900 -0.008 0.000 1.027 422 G CA -0.116 44.984 45.100 0.001 0.000 0.705 422 G HN 0.616 nan 8.290 nan 0.000 0.496 423 V N 2.146 122.049 119.914 -0.017 0.000 2.439 423 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 423 V C 0.523 176.641 176.094 0.040 0.000 1.039 423 V CA -1.048 61.251 62.300 -0.002 0.000 0.913 423 V CB 1.567 33.369 31.823 -0.035 0.000 0.983 423 V HN 0.393 nan 8.190 nan 0.000 0.460 424 H N 4.680 123.739 119.070 -0.020 0.000 2.934 424 H HA 0.364 4.920 4.556 -0.000 0.000 0.273 424 H C -0.700 174.624 175.328 -0.006 0.000 1.121 424 H CA -0.048 56.001 56.048 0.002 0.000 1.451 424 H CB 1.060 30.823 29.762 0.002 0.000 1.469 424 H HN 0.404 nan 8.280 nan 0.000 0.476 425 V N 6.147 126.106 119.914 0.076 0.000 2.644 425 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 425 V C 0.373 176.547 176.094 0.134 0.000 1.053 425 V CA -0.585 61.743 62.300 0.046 0.000 0.987 425 V CB 1.676 33.487 31.823 -0.019 0.000 1.006 425 V HN 0.565 nan 8.190 nan 0.000 0.472 426 I N 3.801 124.384 120.570 0.022 0.000 2.534 426 I HA 0.491 4.661 4.170 -0.000 0.000 0.286 426 I C -0.753 175.356 176.117 -0.014 0.000 1.094 426 I CA -0.785 60.597 61.300 0.137 0.000 1.055 426 I CB 1.120 39.232 38.000 0.187 0.000 1.225 426 I HN 0.505 nan 8.210 nan 0.000 0.435 427 F N 2.855 122.867 119.950 0.105 0.000 2.379 427 F HA 0.623 5.150 4.527 -0.000 0.000 0.332 427 F C 1.221 177.066 175.800 0.075 0.000 1.096 427 F CA -0.285 57.768 58.000 0.088 0.000 1.105 427 F CB 1.600 40.641 39.000 0.068 0.000 1.189 427 F HN 0.614 nan 8.300 nan 0.000 0.515 428 S N 2.218 118.059 115.700 0.234 0.000 2.614 428 S HA 0.711 5.181 4.470 -0.000 0.000 0.265 428 S C 0.294 174.978 174.600 0.140 0.000 1.303 428 S CA -0.591 57.696 58.200 0.145 0.000 1.000 428 S CB 0.943 64.216 63.200 0.123 0.000 0.935 428 S HN 0.930 nan 8.310 nan 0.000 0.551 429 A N 2.906 125.774 122.820 0.080 0.000 2.377 429 A HA 0.372 4.692 4.320 -0.000 0.000 0.274 429 A C -0.976 176.652 177.584 0.073 0.000 1.178 429 A CA -0.556 51.520 52.037 0.066 0.000 0.836 429 A CB -1.655 17.362 19.000 0.029 0.000 1.111 429 A HN 0.788 nan 8.150 nan 0.000 0.517 430 P HA -0.159 nan 4.420 nan 0.000 0.217 430 P C 0.789 178.123 177.300 0.055 0.000 0.848 430 P CA 2.098 65.227 63.100 0.048 0.000 1.049 430 P CB -0.171 31.555 31.700 0.042 0.000 0.690 431 G N -0.127 108.704 108.800 0.053 0.000 3.428 431 G HA2 0.480 4.440 3.960 -0.000 0.000 0.344 431 G HA3 0.480 4.440 3.960 -0.000 0.000 0.344 431 G C -1.060 173.887 174.900 0.079 0.000 1.256 431 G CA -0.081 45.056 45.100 0.061 0.000 1.209 431 G HN 0.182 nan 8.290 nan 0.000 0.470 432 L N 1.299 122.579 121.223 0.096 0.000 2.365 432 L HA 0.678 5.018 4.340 -0.000 0.000 0.273 432 L C -0.966 175.983 176.870 0.130 0.000 1.000 432 L CA -0.690 54.209 54.840 0.099 0.000 0.819 432 L CB 2.081 44.182 42.059 0.071 0.000 1.284 432 L HN 0.223 nan 8.230 nan 0.000 0.418 433 K N 4.895 125.373 120.400 0.131 0.000 2.307 433 K HA 0.446 4.766 4.320 -0.000 0.000 0.263 433 K C -0.704 175.915 176.600 0.032 0.000 0.973 433 K CA -0.575 55.804 56.287 0.154 0.000 0.846 433 K CB 2.380 35.006 32.500 0.209 0.000 1.100 433 K HN 0.417 nan 8.250 nan 0.000 0.438 434 I N 3.638 124.172 120.570 -0.059 0.000 2.268 434 I HA 0.024 4.194 4.170 -0.000 0.000 0.290 434 I C 1.181 177.006 176.117 -0.487 0.000 1.125 434 I CA -0.531 60.681 61.300 -0.147 0.000 1.236 434 I CB -0.516 37.459 38.000 -0.043 0.000 1.469 434 I HN 0.760 nan 8.210 nan 0.000 0.512 435 H N 2.970 121.755 119.070 -0.476 0.000 2.547 435 H HA 0.389 4.945 4.556 -0.000 0.000 0.274 435 H C 0.776 175.941 175.328 -0.271 0.000 1.024 435 H CA 0.459 56.184 56.048 -0.537 0.000 1.155 435 H CB 0.301 29.940 29.762 -0.206 0.000 1.344 435 H HN 0.715 nan 8.280 nan 0.000 0.598 436 A N 0.842 123.500 122.820 -0.271 0.000 2.299 436 A HA 0.577 4.897 4.320 -0.000 0.000 0.332 436 A C -0.642 176.896 177.584 -0.077 0.000 1.131 436 A CA -0.775 51.153 52.037 -0.182 0.000 0.844 436 A CB 1.014 19.949 19.000 -0.109 0.000 1.251 436 A HN 0.307 nan 8.150 nan 0.000 0.486 437 K N 1.022 121.426 120.400 0.006 0.000 2.723 437 K HA 0.536 4.856 4.320 -0.000 0.000 0.229 437 K C -1.270 175.504 176.600 0.289 0.000 1.022 437 K CA 0.221 56.635 56.287 0.212 0.000 1.045 437 K CB 0.914 33.393 32.500 -0.035 0.000 1.227 437 K HN 0.562 nan 8.250 nan 0.000 0.516 438 L N 2.158 123.630 121.223 0.416 0.000 2.313 438 L HA 0.756 5.096 4.340 -0.000 0.000 0.268 438 L C -0.585 176.757 176.870 0.785 0.000 1.010 438 L CA -1.438 53.671 54.840 0.447 0.000 0.814 438 L CB 0.954 43.109 42.059 0.159 0.000 1.304 438 L HN 0.427 nan 8.230 nan 0.000 0.441 439 F N 0.760 121.095 119.950 0.642 0.000 2.635 439 F HA 0.708 5.235 4.527 -0.000 0.000 0.314 439 F C -1.994 174.049 175.800 0.406 0.000 1.119 439 F CA -1.334 56.970 58.000 0.506 0.000 1.000 439 F CB 0.994 40.193 39.000 0.332 0.000 1.278 439 F HN 0.248 nan 8.300 nan 0.000 0.446 440 L N 4.523 126.094 121.223 0.579 0.000 2.346 440 L HA 0.899 5.239 4.340 -0.000 0.000 0.276 440 L C -1.318 175.731 176.870 0.299 0.000 1.006 440 L CA -0.797 54.288 54.840 0.408 0.000 0.817 440 L CB 1.890 44.102 42.059 0.254 0.000 1.272 440 L HN 0.689 nan 8.230 nan 0.000 0.421 441 I N 2.351 123.130 120.570 0.347 0.000 2.498 441 I HA 0.639 4.809 4.170 -0.000 0.000 0.290 441 I C -0.088 176.149 176.117 0.200 0.000 1.032 441 I CA -0.519 60.917 61.300 0.227 0.000 1.073 441 I CB 1.458 39.638 38.000 0.299 0.000 1.251 441 I HN 0.757 nan 8.210 nan 0.000 0.426 442 S N 4.551 120.295 115.700 0.073 0.000 2.482 442 S HA 0.838 5.308 4.470 -0.000 0.000 0.303 442 S C -0.374 174.203 174.600 -0.038 0.000 1.091 442 S CA -0.891 57.343 58.200 0.057 0.000 1.057 442 S CB 1.484 64.702 63.200 0.030 0.000 1.031 442 S HN 0.870 nan 8.310 nan 0.000 0.485 443 R N 1.284 121.764 120.500 -0.033 0.000 2.535 443 R HA 0.393 4.733 4.340 -0.000 0.000 0.274 443 R C -1.442 174.821 176.300 -0.062 0.000 1.090 443 R CA -0.874 55.150 56.100 -0.128 0.000 0.930 443 R CB 1.004 31.090 30.300 -0.357 0.000 1.223 443 R HN 0.474 nan 8.270 nan 0.000 0.441 444 K N 2.723 123.084 120.400 -0.066 0.000 2.361 444 K HA 0.009 4.329 4.320 -0.000 0.000 0.283 444 K C -0.757 175.821 176.600 -0.036 0.000 1.078 444 K CA 0.399 56.664 56.287 -0.037 0.000 1.041 444 K CB 0.544 33.023 32.500 -0.036 0.000 0.932 444 K HN 0.586 nan 8.250 nan 0.000 0.462 445 E N 4.530 124.725 120.200 -0.009 0.000 2.167 445 E HA 0.037 4.387 4.350 -0.000 0.000 0.247 445 E C -1.000 175.604 176.600 0.007 0.000 0.961 445 E CA -0.692 55.711 56.400 0.004 0.000 0.797 445 E CB 0.068 29.792 29.700 0.039 0.000 1.182 445 E HN 0.757 nan 8.360 nan 0.000 0.437 446 N N 1.605 120.305 118.700 -0.000 0.000 2.527 446 N HA -0.302 4.438 4.740 -0.000 0.000 0.293 446 N C 0.625 176.137 175.510 0.004 0.000 1.283 446 N CA 0.889 53.941 53.050 0.003 0.000 0.702 446 N CB -1.301 37.191 38.487 0.008 0.000 0.937 446 N HN 0.713 nan 8.380 nan 0.000 0.536 447 G N 0.179 108.980 108.800 0.001 0.000 5.045 447 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.229 447 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.229 447 G C -0.082 174.819 174.900 0.001 0.000 1.440 447 G CA 0.491 45.592 45.100 0.002 0.000 0.936 447 G HN 0.794 nan 8.290 nan 0.000 0.690 448 E N 0.748 120.950 120.200 0.004 0.000 2.374 448 E HA 0.536 4.886 4.350 -0.000 0.000 0.260 448 E C 0.300 176.903 176.600 0.005 0.000 1.101 448 E CA -0.325 56.078 56.400 0.004 0.000 0.907 448 E CB 1.473 31.176 29.700 0.005 0.000 1.014 448 E HN 0.423 nan 8.360 nan 0.000 0.427 449 V N 2.111 122.029 119.914 0.007 0.000 2.439 449 V HA 0.252 4.372 4.120 -0.000 0.000 0.282 449 V C -0.061 176.046 176.094 0.020 0.000 1.039 449 V CA -0.593 61.713 62.300 0.011 0.000 0.913 449 V CB 1.682 33.512 31.823 0.010 0.000 0.983 449 V HN 0.303 nan 8.190 nan 0.000 0.460 450 V N 6.101 126.042 119.914 0.044 0.000 2.483 450 V HA 0.503 4.623 4.120 -0.000 0.000 0.297 450 V C -0.114 176.056 176.094 0.126 0.000 1.027 450 V CA -0.873 61.456 62.300 0.048 0.000 0.855 450 V CB 1.926 33.782 31.823 0.054 0.000 0.995 450 V HN 0.845 nan 8.190 nan 0.000 0.424 451 R N 3.739 124.278 120.500 0.065 0.000 2.312 451 R HA 0.617 4.957 4.340 -0.000 0.000 0.311 451 R C -1.575 174.802 176.300 0.129 0.000 1.004 451 R CA -0.420 55.775 56.100 0.158 0.000 0.902 451 R CB 1.125 31.491 30.300 0.109 0.000 1.073 451 R HN 0.589 nan 8.270 nan 0.000 0.457 452 Y N 0.851 121.253 120.300 0.170 0.000 2.341 452 Y HA 0.572 5.122 4.550 -0.000 0.000 0.338 452 Y C 0.136 176.183 175.900 0.245 0.000 0.965 452 Y CA -0.841 57.392 58.100 0.220 0.000 1.108 452 Y CB 2.036 40.711 38.460 0.358 0.000 1.180 452 Y HN 0.676 nan 8.280 nan 0.000 0.458 453 A N 2.559 125.543 122.820 0.273 0.000 2.322 453 A HA 0.653 4.973 4.320 -0.000 0.000 0.327 453 A C -1.504 176.081 177.584 0.002 0.000 1.134 453 A CA -0.598 51.552 52.037 0.188 0.000 0.831 453 A CB 1.241 20.324 19.000 0.139 0.000 1.288 453 A HN 0.784 nan 8.150 nan 0.000 0.472 454 H N 0.646 119.494 119.070 -0.370 0.000 2.529 454 H HA 0.641 5.197 4.556 -0.000 0.000 0.348 454 H C -2.051 173.098 175.328 -0.298 0.000 1.079 454 H CA -0.494 55.203 56.048 -0.585 0.000 1.198 454 H CB 1.391 30.185 29.762 -1.612 0.000 1.521 454 H HN 0.378 nan 8.280 nan 0.000 0.514 455 I N 3.578 123.785 120.570 -0.604 0.000 2.439 455 I HA 0.414 4.584 4.170 -0.000 0.000 0.283 455 I C 0.596 176.430 176.117 -0.472 0.000 1.023 455 I CA -0.674 60.433 61.300 -0.321 0.000 1.100 455 I CB 1.136 39.021 38.000 -0.191 0.000 1.238 455 I HN 0.857 nan 8.210 nan 0.000 0.445 456 G N 1.986 110.657 108.800 -0.215 0.000 2.422 456 G HA2 0.443 4.403 3.960 -0.000 0.000 0.317 456 G HA3 0.443 4.403 3.960 -0.000 0.000 0.317 456 G C 1.022 175.892 174.900 -0.050 0.000 1.210 456 G CA 0.335 45.403 45.100 -0.053 0.000 0.930 456 G HN 0.854 nan 8.290 nan 0.000 0.468 457 T N 0.776 115.325 114.554 -0.009 0.000 2.759 457 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 457 T C 1.381 175.947 174.700 -0.224 0.000 1.042 457 T CA 1.360 63.432 62.100 -0.046 0.000 1.140 457 T CB -0.160 68.766 68.868 0.098 0.000 0.864 457 T HN 0.663 nan 8.240 nan 0.000 0.455 458 G N 1.523 110.201 108.800 -0.203 0.000 2.795 458 G HA2 0.573 4.533 3.960 -0.000 0.000 0.267 458 G HA3 0.573 4.533 3.960 -0.000 0.000 0.267 458 G C -0.776 174.004 174.900 -0.200 0.000 1.362 458 G CA -0.991 43.849 45.100 -0.433 0.000 1.048 458 G HN 0.662 nan 8.290 nan 0.000 0.547 459 N N -1.847 116.833 118.700 -0.033 0.000 2.482 459 N HA 0.341 5.081 4.740 -0.000 0.000 0.279 459 N C 0.101 175.577 175.510 -0.057 0.000 1.182 459 N CA -0.868 52.219 53.050 0.062 0.000 0.969 459 N CB 0.813 39.494 38.487 0.323 0.000 1.201 459 N HN 0.240 nan 8.380 nan 0.000 0.523 460 F N -1.284 118.687 119.950 0.035 0.000 2.664 460 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 460 F C 1.087 176.696 175.800 -0.319 0.000 1.164 460 F CA 0.277 58.239 58.000 -0.063 0.000 1.472 460 F CB -0.601 38.471 39.000 0.121 0.000 1.108 460 F HN 0.481 nan 8.300 nan 0.000 0.596 461 N N 1.854 120.498 118.700 -0.093 0.000 2.374 461 N HA -0.111 4.629 4.740 -0.000 0.000 0.269 461 N C 0.825 176.102 175.510 -0.387 0.000 1.310 461 N CA 0.381 53.332 53.050 -0.165 0.000 0.877 461 N CB 0.438 38.836 38.487 -0.148 0.000 1.096 461 N HN 0.312 nan 8.380 nan 0.000 0.484 462 E N 2.488 122.499 120.200 -0.314 0.000 2.516 462 E HA -0.065 4.285 4.350 -0.000 0.000 0.199 462 E C 0.907 177.378 176.600 -0.215 0.000 1.069 462 E CA 0.810 57.004 56.400 -0.344 0.000 0.876 462 E CB 0.324 29.952 29.700 -0.120 0.000 0.843 462 E HN 0.575 nan 8.360 nan 0.000 0.530 463 K N -0.886 119.411 120.400 -0.172 0.000 2.276 463 K HA 0.088 4.408 4.320 -0.000 0.000 0.198 463 K C 1.968 178.487 176.600 -0.136 0.000 1.052 463 K CA 0.763 56.986 56.287 -0.106 0.000 0.984 463 K CB 0.227 32.693 32.500 -0.057 0.000 0.836 463 K HN -0.071 nan 8.250 nan 0.000 0.490 464 T N 0.995 115.400 114.554 -0.249 0.000 2.867 464 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 464 T C 1.854 176.431 174.700 -0.205 0.000 1.057 464 T CA 1.149 63.014 62.100 -0.392 0.000 1.136 464 T CB -0.119 68.432 68.868 -0.528 0.000 0.874 464 T HN 0.289 nan 8.240 nan 0.000 0.466 465 A N 1.566 124.214 122.820 -0.287 0.000 1.978 465 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 465 A C 2.317 179.820 177.584 -0.134 0.000 1.170 465 A CA 1.284 53.163 52.037 -0.262 0.000 0.636 465 A CB -0.346 18.333 19.000 -0.535 0.000 0.810 465 A HN 0.441 nan 8.150 nan 0.000 0.448 466 R N -1.175 119.254 120.500 -0.117 0.000 2.240 466 R HA 0.242 4.582 4.340 -0.000 0.000 0.203 466 R C 1.286 177.516 176.300 -0.117 0.000 1.011 466 R CA 0.684 56.708 56.100 -0.126 0.000 1.007 466 R CB -0.101 30.151 30.300 -0.081 0.000 0.911 466 R HN 0.474 nan 8.270 nan 0.000 0.468 467 L N -0.985 120.265 121.223 0.045 0.000 2.672 467 L HA 0.225 4.565 4.340 -0.000 0.000 0.236 467 L C -0.156 176.724 176.870 0.017 0.000 1.092 467 L CA -0.041 54.843 54.840 0.074 0.000 0.887 467 L CB 0.361 42.524 42.059 0.172 0.000 1.168 467 L HN -0.004 nan 8.230 nan 0.000 0.502 468 Y N 0.343 120.569 120.300 -0.123 0.000 2.496 468 Y HA 0.372 4.922 4.550 -0.000 0.000 0.331 468 Y C 0.671 176.480 175.900 -0.151 0.000 1.140 468 Y CA -1.728 56.329 58.100 -0.072 0.000 1.166 468 Y CB 1.316 39.771 38.460 -0.008 0.000 1.249 468 Y HN -0.173 nan 8.280 nan 0.000 0.479 469 T N -0.627 113.947 114.554 0.034 0.000 2.788 469 T HA 0.677 5.027 4.350 -0.000 0.000 0.296 469 T C -1.093 173.584 174.700 -0.038 0.000 1.009 469 T CA -0.791 61.188 62.100 -0.202 0.000 0.949 469 T CB 0.783 69.505 68.868 -0.243 0.000 0.946 469 T HN 0.362 nan 8.240 nan 0.000 0.453 470 D N 1.051 121.448 120.400 -0.006 0.000 2.552 470 D HA 0.493 5.133 4.640 -0.000 0.000 0.239 470 D C -0.885 175.463 176.300 0.079 0.000 1.139 470 D CA -0.551 53.534 54.000 0.141 0.000 0.914 470 D CB 1.181 42.153 40.800 0.287 0.000 1.461 470 D HN 0.545 nan 8.370 nan 0.000 0.462 471 Y N -0.205 120.255 120.300 0.266 0.000 2.432 471 Y HA 0.587 5.137 4.550 -0.000 0.000 0.322 471 Y C 0.419 176.349 175.900 0.050 0.000 1.246 471 Y CA -0.427 57.742 58.100 0.116 0.000 1.268 471 Y CB 1.850 40.327 38.460 0.028 0.000 1.276 471 Y HN 0.131 nan 8.280 nan 0.000 0.499 472 S N 2.061 117.834 115.700 0.121 0.000 2.653 472 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 472 S C -2.071 172.449 174.600 -0.133 0.000 1.153 472 S CA -0.570 57.620 58.200 -0.017 0.000 1.036 472 S CB 0.367 63.727 63.200 0.268 0.000 1.103 472 S HN 0.513 nan 8.310 nan 0.000 0.466 473 L N 6.040 127.100 121.223 -0.272 0.000 2.295 473 L HA 0.720 5.059 4.340 -0.000 0.000 0.285 473 L C -1.481 175.251 176.870 -0.231 0.000 1.035 473 L CA -0.394 54.314 54.840 -0.220 0.000 0.806 473 L CB 1.043 42.974 42.059 -0.213 0.000 1.214 473 L HN 0.548 nan 8.230 nan 0.000 0.426 474 L N 4.899 126.059 121.223 -0.105 0.000 2.349 474 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 474 L C -0.126 176.743 176.870 -0.001 0.000 0.996 474 L CA -0.170 54.668 54.840 -0.002 0.000 0.825 474 L CB 1.194 43.343 42.059 0.150 0.000 1.243 474 L HN 0.782 nan 8.230 nan 0.000 0.412 475 T N 1.095 115.661 114.554 0.019 0.000 2.843 475 T HA 0.738 5.088 4.350 -0.000 0.000 0.302 475 T C -0.128 174.538 174.700 -0.056 0.000 1.232 475 T CA 0.386 62.468 62.100 -0.030 0.000 1.009 475 T CB 1.996 70.808 68.868 -0.093 0.000 1.254 475 T HN 0.604 nan 8.240 nan 0.000 0.504 476 A N 1.496 124.214 122.820 -0.171 0.000 2.508 476 A HA 0.351 4.671 4.320 -0.000 0.000 0.250 476 A C 0.443 177.895 177.584 -0.220 0.000 1.208 476 A CA -0.132 51.698 52.037 -0.344 0.000 0.960 476 A CB 0.007 18.651 19.000 -0.594 0.000 1.099 476 A HN 0.780 nan 8.150 nan 0.000 0.542 477 D N 1.241 121.544 120.400 -0.162 0.000 2.412 477 D HA 0.272 4.912 4.640 -0.000 0.000 0.257 477 D C 1.383 177.597 176.300 -0.143 0.000 1.217 477 D CA 0.646 54.555 54.000 -0.151 0.000 0.897 477 D CB 1.255 41.956 40.800 -0.165 0.000 1.132 477 D HN 0.221 nan 8.370 nan 0.000 0.493 478 A N 5.519 128.266 122.820 -0.122 0.000 1.940 478 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 478 A C 2.157 179.673 177.584 -0.114 0.000 1.176 478 A CA 1.359 53.342 52.037 -0.090 0.000 0.631 478 A CB -0.187 18.777 19.000 -0.060 0.000 0.814 478 A HN 0.676 nan 8.150 nan 0.000 0.446 479 R N -1.043 119.335 120.500 -0.203 0.000 2.117 479 R HA -0.137 4.203 4.340 -0.000 0.000 0.243 479 R C 1.952 177.992 176.300 -0.434 0.000 1.143 479 R CA 1.988 57.845 56.100 -0.405 0.000 0.968 479 R CB -0.498 29.361 30.300 -0.734 0.000 0.863 479 R HN 0.483 nan 8.270 nan 0.000 0.444 480 I N -1.505 118.883 120.570 -0.305 0.000 2.731 480 I HA -0.047 4.123 4.170 -0.000 0.000 0.260 480 I C 2.177 178.266 176.117 -0.048 0.000 1.138 480 I CA 0.995 62.189 61.300 -0.176 0.000 1.461 480 I CB -0.591 37.306 38.000 -0.172 0.000 1.128 480 I HN 0.314 nan 8.210 nan 0.000 0.438 481 T N 1.041 115.567 114.554 -0.046 0.000 2.635 481 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 481 T C 1.896 176.639 174.700 0.072 0.000 1.040 481 T CA 2.120 64.233 62.100 0.021 0.000 1.156 481 T CB -0.431 68.432 68.868 -0.008 0.000 0.863 481 T HN 0.385 nan 8.240 nan 0.000 0.430 482 N N 0.966 119.699 118.700 0.055 0.000 2.166 482 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 482 N C 1.909 177.504 175.510 0.142 0.000 1.019 482 N CA 0.881 53.984 53.050 0.090 0.000 0.856 482 N CB -0.277 38.254 38.487 0.073 0.000 0.993 482 N HN 0.495 nan 8.380 nan 0.000 0.426 483 E N 0.489 120.785 120.200 0.161 0.000 2.110 483 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 483 E C 2.054 178.818 176.600 0.274 0.000 0.988 483 E CA 0.587 57.145 56.400 0.263 0.000 0.804 483 E CB -0.064 29.794 29.700 0.264 0.000 0.745 483 E HN 0.177 nan 8.360 nan 0.000 0.458 484 V N 1.300 121.332 119.914 0.197 0.000 2.379 484 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 484 V C 2.579 178.869 176.094 0.328 0.000 1.044 484 V CA 1.661 64.088 62.300 0.211 0.000 1.036 484 V CB -0.569 31.383 31.823 0.215 0.000 0.664 484 V HN 0.176 nan 8.190 nan 0.000 0.453 485 R N 0.209 120.891 120.500 0.302 0.000 2.096 485 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 485 R C 2.597 179.075 176.300 0.297 0.000 1.139 485 R CA 1.761 58.042 56.100 0.302 0.000 0.952 485 R CB -0.214 30.198 30.300 0.187 0.000 0.854 485 R HN 0.396 nan 8.270 nan 0.000 0.436 486 R N 0.008 120.658 120.500 0.251 0.000 2.083 486 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 486 R C 2.342 178.852 176.300 0.350 0.000 1.137 486 R CA 1.679 57.908 56.100 0.216 0.000 0.951 486 R CB -0.686 29.666 30.300 0.087 0.000 0.851 486 R HN 0.173 nan 8.270 nan 0.000 0.434 487 V N 0.897 121.080 119.914 0.447 0.000 2.252 487 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 487 V C 2.167 178.420 176.094 0.265 0.000 1.056 487 V CA 2.032 64.555 62.300 0.371 0.000 1.022 487 V CB -0.679 31.180 31.823 0.059 0.000 0.641 487 V HN 0.175 nan 8.190 nan 0.000 0.445 488 F N 0.567 120.659 119.950 0.236 0.000 2.161 488 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 488 F C 2.444 178.330 175.800 0.142 0.000 1.089 488 F CA 1.682 59.781 58.000 0.166 0.000 1.282 488 F CB -0.412 38.665 39.000 0.128 0.000 1.010 488 F HN 0.220 nan 8.300 nan 0.000 0.485 489 N N -0.037 118.864 118.700 0.335 0.000 2.142 489 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 489 N C 1.791 177.434 175.510 0.222 0.000 1.023 489 N CA 1.117 54.302 53.050 0.225 0.000 0.852 489 N CB -0.940 37.654 38.487 0.177 0.000 0.998 489 N HN 0.226 nan 8.380 nan 0.000 0.424 490 F N 2.244 122.265 119.950 0.118 0.000 2.120 490 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 490 F C 2.340 178.183 175.800 0.071 0.000 1.095 490 F CA 0.915 58.970 58.000 0.093 0.000 1.249 490 F CB -0.548 38.555 39.000 0.173 0.000 0.995 490 F HN -0.174 nan 8.300 nan 0.000 0.480 491 I N 0.481 121.011 120.570 -0.067 0.000 2.179 491 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 491 I C 2.418 178.474 176.117 -0.101 0.000 1.088 491 I CA 1.729 62.924 61.300 -0.175 0.000 1.357 491 I CB -1.413 36.595 38.000 0.015 0.000 1.051 491 I HN 0.308 nan 8.210 nan 0.000 0.409 492 E N -0.017 120.200 120.200 0.028 0.000 2.047 492 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 492 E C 1.099 177.728 176.600 0.049 0.000 0.987 492 E CA 1.075 57.512 56.400 0.061 0.000 0.799 492 E CB -0.051 29.699 29.700 0.082 0.000 0.752 492 E HN 0.422 nan 8.360 nan 0.000 0.449 493 N N -0.126 118.594 118.700 0.032 0.000 2.716 493 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 493 N C -2.272 173.226 175.510 -0.021 0.000 1.170 493 N CA -1.587 51.507 53.050 0.074 0.000 0.807 493 N CB 1.273 39.840 38.487 0.133 0.000 1.183 493 N HN -0.101 nan 8.380 nan 0.000 0.524 494 P HA -0.000 nan 4.420 nan 0.000 0.240 494 P C 0.689 177.875 177.300 -0.190 0.000 1.190 494 P CA 0.491 63.355 63.100 -0.394 0.000 0.781 494 P CB 0.160 31.409 31.700 -0.752 0.000 0.931 495 Y N -0.045 120.264 120.300 0.016 0.000 2.421 495 Y HA -0.007 4.543 4.550 -0.000 0.000 0.292 495 Y C 1.683 177.615 175.900 0.055 0.000 1.136 495 Y CA 0.339 58.461 58.100 0.036 0.000 1.255 495 Y CB -0.270 38.204 38.460 0.023 0.000 0.991 495 Y HN -0.212 nan 8.280 nan 0.000 0.552 496 R N 2.247 122.862 120.500 0.191 0.000 2.357 496 R HA 0.184 4.524 4.340 -0.000 0.000 0.296 496 R C -2.413 173.959 176.300 0.120 0.000 1.052 496 R CA -1.841 54.342 56.100 0.138 0.000 0.988 496 R CB 0.136 30.507 30.300 0.119 0.000 1.025 496 R HN 0.029 nan 8.270 nan 0.000 0.469 497 P HA 0.074 nan 4.420 nan 0.000 0.269 497 P C -0.685 176.612 177.300 -0.004 0.000 1.209 497 P CA -0.038 63.084 63.100 0.037 0.000 0.776 497 P CB 0.905 32.613 31.700 0.014 0.000 0.876 498 V N 2.014 121.884 119.914 -0.072 0.000 3.012 498 V HA 0.535 4.655 4.120 -0.000 0.000 0.307 498 V C -0.069 175.807 176.094 -0.364 0.000 1.166 498 V CA -0.512 61.650 62.300 -0.229 0.000 0.974 498 V CB 2.411 34.075 31.823 -0.264 0.000 1.040 498 V HN 0.840 nan 8.190 nan 0.000 0.428 499 T N 0.135 114.396 114.554 -0.488 0.000 2.909 499 T HA 0.837 5.187 4.350 -0.000 0.000 0.299 499 T C -1.222 173.126 174.700 -0.588 0.000 1.073 499 T CA -0.531 61.324 62.100 -0.409 0.000 0.999 499 T CB 1.746 70.496 68.868 -0.197 0.000 1.098 499 T HN 0.225 nan 8.240 nan 0.000 0.477 500 F N 0.960 120.856 119.950 -0.091 0.000 2.507 500 F HA 0.443 4.970 4.527 -0.000 0.000 0.325 500 F C 0.772 176.533 175.800 -0.065 0.000 1.116 500 F CA -1.011 56.957 58.000 -0.053 0.000 0.930 500 F CB 2.023 40.988 39.000 -0.058 0.000 1.146 500 F HN 0.597 nan 8.300 nan 0.000 0.447 501 D N 1.452 121.919 120.400 0.112 0.000 2.367 501 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 501 D C 0.635 176.741 176.300 -0.323 0.000 1.034 501 D CA 1.142 55.055 54.000 -0.146 0.000 0.861 501 D CB 0.495 41.130 40.800 -0.276 0.000 0.943 501 D HN 0.570 nan 8.370 nan 0.000 0.515 502 Y N -0.450 119.919 120.300 0.114 0.000 2.640 502 Y HA 0.164 4.714 4.550 -0.000 0.000 0.274 502 Y C 0.485 176.457 175.900 0.121 0.000 1.164 502 Y CA -0.482 57.675 58.100 0.096 0.000 1.189 502 Y CB 0.490 38.979 38.460 0.050 0.000 1.333 502 Y HN -0.204 nan 8.280 nan 0.000 0.494 503 L N 1.305 122.672 121.223 0.240 0.000 2.418 503 L HA 0.212 4.552 4.340 -0.000 0.000 0.265 503 L C 0.059 176.902 176.870 -0.045 0.000 1.143 503 L CA -0.102 54.775 54.840 0.062 0.000 0.809 503 L CB 0.679 42.662 42.059 -0.127 0.000 1.124 503 L HN 0.148 nan 8.230 nan 0.000 0.456 504 M N 3.234 122.802 119.600 -0.053 0.000 2.088 504 M HA 0.453 4.933 4.480 -0.000 0.000 0.346 504 M C -1.513 174.643 176.300 -0.239 0.000 1.111 504 M CA -0.488 54.738 55.300 -0.125 0.000 1.017 504 M CB 0.718 33.277 32.600 -0.068 0.000 1.568 504 M HN 0.265 nan 8.290 nan 0.000 0.445 505 V N 4.116 123.810 119.914 -0.366 0.000 2.407 505 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 505 V C -0.112 175.827 176.094 -0.258 0.000 1.018 505 V CA -0.675 61.367 62.300 -0.431 0.000 0.842 505 V CB 1.717 32.982 31.823 -0.930 0.000 0.996 505 V HN 0.879 nan 8.190 nan 0.000 0.426 506 S N 7.189 122.795 115.700 -0.156 0.000 2.513 506 S HA 0.419 4.889 4.470 -0.000 0.000 0.276 506 S C -2.099 172.488 174.600 -0.022 0.000 1.254 506 S CA -0.795 57.347 58.200 -0.097 0.000 1.053 506 S CB 1.358 64.525 63.200 -0.055 0.000 0.958 506 S HN 0.727 nan 8.310 nan 0.000 0.491 507 P HA 0.269 nan 4.420 nan 0.000 0.239 507 P C -0.036 177.201 177.300 -0.106 0.000 1.880 507 P CA -0.189 62.855 63.100 -0.094 0.000 1.088 507 P CB 0.913 32.536 31.700 -0.127 0.000 1.721 508 Q N 2.381 122.099 119.800 -0.136 0.000 1.990 508 Q HA -0.100 4.240 4.340 -0.000 0.000 0.195 508 Q C 1.613 177.536 176.000 -0.128 0.000 0.977 508 Q CA 2.405 58.123 55.803 -0.143 0.000 0.828 508 Q CB -0.135 28.486 28.738 -0.195 0.000 0.896 508 Q HN 0.263 nan 8.270 nan 0.000 0.447 509 N N -1.640 116.979 118.700 -0.135 0.000 2.523 509 N HA 0.190 4.930 4.740 -0.000 0.000 0.209 509 N C 0.905 176.283 175.510 -0.219 0.000 1.039 509 N CA 0.768 53.728 53.050 -0.150 0.000 1.002 509 N CB -0.636 37.786 38.487 -0.109 0.000 1.270 509 N HN 0.092 nan 8.380 nan 0.000 0.481 510 S N 0.453 116.012 115.700 -0.235 0.000 4.157 510 S HA -0.438 4.032 4.470 -0.000 0.000 0.538 510 S C 1.550 175.906 174.600 -0.407 0.000 1.384 510 S CA 2.529 60.549 58.200 -0.301 0.000 3.765 510 S CB -1.324 61.709 63.200 -0.278 0.000 1.819 510 S HN 0.633 nan 8.310 nan 0.000 0.455 511 R N 1.706 121.924 120.500 -0.469 0.000 2.162 511 R HA -0.175 4.165 4.340 -0.000 0.000 0.245 511 R C 2.356 178.249 176.300 -0.679 0.000 1.129 511 R CA 2.759 58.434 56.100 -0.709 0.000 0.940 511 R CB -0.651 29.261 30.300 -0.647 0.000 0.875 511 R HN 0.559 nan 8.270 nan 0.000 0.437 512 R N -0.489 119.763 120.500 -0.412 0.000 2.082 512 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 512 R C 2.247 178.415 176.300 -0.220 0.000 1.136 512 R CA 1.917 57.866 56.100 -0.251 0.000 0.935 512 R CB -0.615 29.584 30.300 -0.169 0.000 0.842 512 R HN 0.326 nan 8.270 nan 0.000 0.430 513 L N 1.089 122.166 121.223 -0.244 0.000 2.187 513 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 513 L C 1.951 178.630 176.870 -0.319 0.000 1.100 513 L CA 1.524 56.217 54.840 -0.246 0.000 0.765 513 L CB -0.136 41.781 42.059 -0.236 0.000 0.904 513 L HN 0.253 nan 8.230 nan 0.000 0.437 514 L N -3.002 117.999 121.223 -0.370 0.000 2.130 514 L HA -0.145 4.195 4.340 -0.000 0.000 0.200 514 L C 2.346 179.108 176.870 -0.179 0.000 1.075 514 L CA 0.854 55.458 54.840 -0.393 0.000 0.768 514 L CB -0.737 40.953 42.059 -0.615 0.000 0.933 514 L HN 0.182 nan 8.230 nan 0.000 0.451 515 Y N 0.937 121.071 120.300 -0.277 0.000 2.102 515 Y HA -0.366 4.184 4.550 -0.000 0.000 0.280 515 Y C 2.675 178.479 175.900 -0.159 0.000 1.178 515 Y CA 1.209 59.199 58.100 -0.184 0.000 1.146 515 Y CB -0.135 38.234 38.460 -0.151 0.000 0.968 515 Y HN 0.295 nan 8.280 nan 0.000 0.504 516 E N -0.136 120.063 120.200 -0.002 0.000 2.118 516 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 516 E C 2.125 178.643 176.600 -0.136 0.000 0.992 516 E CA 1.379 57.737 56.400 -0.070 0.000 0.804 516 E CB -0.182 29.460 29.700 -0.095 0.000 0.741 516 E HN 0.573 nan 8.360 nan 0.000 0.458 517 M N 0.053 119.497 119.600 -0.261 0.000 2.156 517 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 517 M C 2.412 178.573 176.300 -0.231 0.000 1.067 517 M CA 0.886 55.923 55.300 -0.437 0.000 1.131 517 M CB 0.019 31.965 32.600 -1.091 0.000 1.368 517 M HN 0.021 nan 8.290 nan 0.000 0.416 518 V N 0.622 120.496 119.914 -0.066 0.000 2.358 518 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 518 V C 1.674 177.802 176.094 0.056 0.000 1.047 518 V CA 1.810 64.187 62.300 0.128 0.000 1.035 518 V CB -0.735 31.189 31.823 0.169 0.000 0.658 518 V HN 0.390 nan 8.190 nan 0.000 0.452 519 D N -0.347 120.053 120.400 0.001 0.000 2.218 519 D HA -0.178 4.462 4.640 -0.000 0.000 0.204 519 D C 2.250 178.548 176.300 -0.004 0.000 0.976 519 D CA 1.153 55.146 54.000 -0.012 0.000 0.853 519 D CB -0.210 40.571 40.800 -0.031 0.000 0.939 519 D HN 0.392 nan 8.370 nan 0.000 0.481 520 R N 0.675 121.168 120.500 -0.011 0.000 2.093 520 R HA -0.077 4.263 4.340 -0.000 0.000 0.224 520 R C 1.795 178.112 176.300 0.029 0.000 1.101 520 R CA 0.813 56.911 56.100 -0.003 0.000 0.979 520 R CB 0.243 30.530 30.300 -0.023 0.000 0.877 520 R HN -0.025 nan 8.270 nan 0.000 0.441 521 E N 0.465 120.703 120.200 0.064 0.000 2.051 521 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 521 E C 2.158 178.795 176.600 0.061 0.000 0.991 521 E CA 1.348 57.802 56.400 0.090 0.000 0.799 521 E CB -0.374 29.419 29.700 0.156 0.000 0.748 521 E HN 0.206 nan 8.360 nan 0.000 0.449 522 I N 1.534 122.137 120.570 0.055 0.000 2.194 522 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 522 I C 2.665 178.796 176.117 0.024 0.000 1.093 522 I CA 1.171 62.493 61.300 0.037 0.000 1.355 522 I CB -1.553 36.462 38.000 0.026 0.000 1.046 522 I HN 0.277 nan 8.210 nan 0.000 0.413 523 A N 0.639 123.470 122.820 0.018 0.000 1.858 523 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 523 A C 2.028 179.621 177.584 0.014 0.000 1.190 523 A CA 1.983 54.027 52.037 0.010 0.000 0.617 523 A CB -0.844 18.158 19.000 0.004 0.000 0.827 523 A HN 0.597 nan 8.150 nan 0.000 0.443 524 N N 0.485 119.197 118.700 0.020 0.000 2.289 524 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 524 N C 1.719 177.240 175.510 0.020 0.000 1.016 524 N CA 1.394 54.456 53.050 0.020 0.000 0.872 524 N CB -0.485 38.018 38.487 0.027 0.000 0.973 524 N HN 0.509 nan 8.380 nan 0.000 0.433 525 A N 0.894 123.728 122.820 0.023 0.000 1.968 525 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 525 A C 1.824 179.417 177.584 0.014 0.000 1.169 525 A CA 0.778 52.827 52.037 0.021 0.000 0.638 525 A CB -0.280 18.736 19.000 0.027 0.000 0.812 525 A HN 0.280 nan 8.150 nan 0.000 0.446 526 Q N -0.657 119.151 119.800 0.012 0.000 2.373 526 Q HA 0.086 4.426 4.340 -0.000 0.000 0.206 526 Q C 0.554 176.557 176.000 0.006 0.000 0.942 526 Q CA 0.290 56.097 55.803 0.008 0.000 0.953 526 Q CB 0.184 28.926 28.738 0.006 0.000 1.022 526 Q HN 0.684 nan 8.270 nan 0.000 0.502 527 Q N -1.458 118.347 119.800 0.007 0.000 2.093 527 Q HA 0.150 4.490 4.340 -0.000 0.000 0.217 527 Q C 0.497 176.500 176.000 0.006 0.000 0.785 527 Q CA 0.217 56.023 55.803 0.006 0.000 1.038 527 Q CB 1.534 30.275 28.738 0.006 0.000 1.190 527 Q HN 0.485 nan 8.270 nan 0.000 0.468 528 G N 1.448 110.252 108.800 0.007 0.000 2.175 528 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.265 528 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.265 528 G C 0.338 175.242 174.900 0.007 0.000 0.979 528 G CA 0.560 45.664 45.100 0.006 0.000 0.663 528 G HN 0.278 nan 8.290 nan 0.000 0.533 529 L N 0.837 122.066 121.223 0.010 0.000 2.475 529 L HA 0.432 4.772 4.340 -0.000 0.000 0.253 529 L C -1.285 175.593 176.870 0.013 0.000 1.198 529 L CA -1.979 52.867 54.840 0.011 0.000 0.814 529 L CB -0.041 42.026 42.059 0.013 0.000 1.134 529 L HN -0.029 nan 8.230 nan 0.000 0.478 530 P HA 0.095 nan 4.420 nan 0.000 0.276 530 P C -0.983 176.331 177.300 0.023 0.000 1.253 530 P CA -0.107 63.001 63.100 0.013 0.000 0.766 530 P CB 1.083 32.788 31.700 0.009 0.000 0.845 531 S N 2.204 117.918 115.700 0.024 0.000 2.634 531 S HA 0.944 5.414 4.470 -0.000 0.000 0.296 531 S C -0.308 174.310 174.600 0.030 0.000 1.104 531 S CA -0.836 57.388 58.200 0.041 0.000 0.920 531 S CB 2.085 65.314 63.200 0.047 0.000 1.111 531 S HN 0.647 nan 8.310 nan 0.000 0.493 532 G N -0.132 108.696 108.800 0.046 0.000 2.691 532 G HA2 0.521 4.481 3.960 -0.000 0.000 0.298 532 G HA3 0.521 4.481 3.960 -0.000 0.000 0.298 532 G C -1.766 173.129 174.900 -0.008 0.000 1.471 532 G CA -0.512 44.590 45.100 0.003 0.000 0.912 532 G HN 1.033 nan 8.290 nan 0.000 0.553 533 I N 0.956 121.488 120.570 -0.064 0.000 2.447 533 I HA 0.699 4.869 4.170 -0.000 0.000 0.287 533 I C -0.165 175.820 176.117 -0.221 0.000 1.023 533 I CA -0.836 60.365 61.300 -0.164 0.000 1.083 533 I CB 1.348 39.323 38.000 -0.042 0.000 1.245 533 I HN 0.684 nan 8.210 nan 0.000 0.434 534 T N 6.787 121.151 114.554 -0.316 0.000 2.930 534 T HA 0.638 4.988 4.350 -0.000 0.000 0.313 534 T C -0.459 174.110 174.700 -0.219 0.000 1.019 534 T CA -0.323 61.618 62.100 -0.266 0.000 1.004 534 T CB 0.594 69.280 68.868 -0.303 0.000 0.987 534 T HN 0.404 nan 8.240 nan 0.000 0.456 535 L N 2.695 123.815 121.223 -0.172 0.000 2.334 535 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 535 L C 0.129 176.999 176.870 0.001 0.000 1.013 535 L CA -1.017 53.726 54.840 -0.162 0.000 0.816 535 L CB 1.963 43.733 42.059 -0.481 0.000 1.278 535 L HN 0.400 nan 8.230 nan 0.000 0.431 536 K N 3.943 124.361 120.400 0.031 0.000 2.572 536 K HA 0.668 4.988 4.320 -0.000 0.000 0.244 536 K C -1.584 175.042 176.600 0.043 0.000 0.965 536 K CA -0.340 55.986 56.287 0.066 0.000 0.943 536 K CB 0.774 33.347 32.500 0.122 0.000 1.154 536 K HN 0.530 nan 8.250 nan 0.000 0.447 537 L N 2.043 123.267 121.223 0.003 0.000 2.257 537 L HA 0.462 4.802 4.340 -0.000 0.000 0.257 537 L C 0.766 177.660 176.870 0.040 0.000 1.033 537 L CA -1.169 53.691 54.840 0.034 0.000 0.835 537 L CB 1.508 43.543 42.059 -0.040 0.000 1.398 537 L HN 0.486 nan 8.230 nan 0.000 0.429 538 N N 0.056 118.798 118.700 0.070 0.000 2.415 538 N HA 0.090 4.830 4.740 -0.000 0.000 0.174 538 N C -0.785 174.724 175.510 -0.001 0.000 1.048 538 N CA 0.434 53.502 53.050 0.030 0.000 0.895 538 N CB 0.165 38.693 38.487 0.068 0.000 1.036 538 N HN 0.568 nan 8.380 nan 0.000 0.449 539 N N -0.408 118.322 118.700 0.049 0.000 2.406 539 N HA 0.255 4.995 4.740 -0.000 0.000 0.283 539 N C -1.979 173.590 175.510 0.100 0.000 1.074 539 N CA -0.543 52.544 53.050 0.062 0.000 0.916 539 N CB 2.334 40.868 38.487 0.079 0.000 1.639 539 N HN -0.136 nan 8.380 nan 0.000 0.485 540 L N 3.055 124.329 121.223 0.086 0.000 2.337 540 L HA 0.573 4.913 4.340 -0.000 0.000 0.269 540 L C -0.875 176.073 176.870 0.131 0.000 1.018 540 L CA -0.082 54.827 54.840 0.114 0.000 0.876 540 L CB 0.794 42.871 42.059 0.031 0.000 1.236 540 L HN 0.622 nan 8.230 nan 0.000 0.436 541 V N 1.466 121.473 119.914 0.155 0.000 3.159 541 V HA 0.171 4.291 4.120 -0.000 0.000 0.234 541 V C 0.359 176.504 176.094 0.085 0.000 1.313 541 V CA 0.102 62.471 62.300 0.114 0.000 1.271 541 V CB 0.022 31.906 31.823 0.102 0.000 1.053 541 V HN 0.744 nan 8.190 nan 0.000 0.476 542 D N 1.830 122.291 120.400 0.102 0.000 2.793 542 D HA -0.129 4.511 4.640 -0.000 0.000 0.230 542 D C 1.496 177.815 176.300 0.033 0.000 1.139 542 D CA 0.417 54.453 54.000 0.059 0.000 0.838 542 D CB 0.600 41.430 40.800 0.051 0.000 1.149 542 D HN 0.022 nan 8.370 nan 0.000 0.526 543 K N 3.598 123.978 120.400 -0.033 0.000 2.001 543 K HA -0.196 4.123 4.320 -0.000 0.000 0.223 543 K C 2.013 178.625 176.600 0.021 0.000 1.055 543 K CA 1.800 58.028 56.287 -0.099 0.000 0.965 543 K CB -1.038 31.385 32.500 -0.128 0.000 0.730 543 K HN 0.688 nan 8.250 nan 0.000 0.449 544 G N 1.657 110.495 108.800 0.064 0.000 2.574 544 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 544 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 544 G C 1.861 176.859 174.900 0.164 0.000 1.173 544 G CA 1.310 46.496 45.100 0.144 0.000 0.772 544 G HN 0.332 nan 8.290 nan 0.000 0.585 545 L N -0.021 121.301 121.223 0.165 0.000 2.046 545 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 545 L C 3.061 180.033 176.870 0.169 0.000 1.077 545 L CA 0.535 55.473 54.840 0.163 0.000 0.747 545 L CB -0.456 41.644 42.059 0.068 0.000 0.896 545 L HN 0.138 nan 8.230 nan 0.000 0.432 546 V N -0.206 119.768 119.914 0.099 0.000 2.261 546 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 546 V C 2.138 178.099 176.094 -0.221 0.000 1.047 546 V CA 2.005 64.263 62.300 -0.070 0.000 1.015 546 V CB -0.542 31.256 31.823 -0.042 0.000 0.642 546 V HN 0.449 nan 8.190 nan 0.000 0.446 547 D N -0.336 120.060 120.400 -0.007 0.000 2.149 547 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 547 D C 2.364 178.688 176.300 0.041 0.000 0.990 547 D CA 0.909 54.965 54.000 0.094 0.000 0.839 547 D CB -0.345 40.559 40.800 0.175 0.000 0.948 547 D HN 0.197 nan 8.370 nan 0.000 0.460 548 R N 0.397 120.889 120.500 -0.014 0.000 2.127 548 R HA -0.051 4.289 4.340 -0.000 0.000 0.238 548 R C 2.468 178.799 176.300 0.052 0.000 1.134 548 R CA 0.405 56.480 56.100 -0.043 0.000 0.975 548 R CB -0.660 29.593 30.300 -0.079 0.000 0.865 548 R HN 0.325 nan 8.270 nan 0.000 0.447 549 L N -1.257 120.006 121.223 0.067 0.000 2.044 549 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 549 L C 2.290 179.238 176.870 0.131 0.000 1.075 549 L CA 1.151 56.045 54.840 0.090 0.000 0.747 549 L CB -0.646 41.439 42.059 0.044 0.000 0.903 549 L HN 0.209 nan 8.230 nan 0.000 0.435 550 Y N 0.007 120.350 120.300 0.073 0.000 2.151 550 Y HA -0.378 4.172 4.550 -0.000 0.000 0.284 550 Y C 2.712 178.623 175.900 0.019 0.000 1.166 550 Y CA 0.528 58.648 58.100 0.033 0.000 1.163 550 Y CB -0.273 38.196 38.460 0.016 0.000 0.974 550 Y HN 0.256 nan 8.280 nan 0.000 0.511 551 A N 0.252 123.182 122.820 0.182 0.000 1.858 551 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 551 A C 2.416 180.046 177.584 0.077 0.000 1.190 551 A CA 1.776 53.868 52.037 0.092 0.000 0.617 551 A CB -1.257 17.767 19.000 0.041 0.000 0.827 551 A HN 0.449 nan 8.150 nan 0.000 0.443 552 A N -0.736 122.136 122.820 0.086 0.000 1.892 552 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 552 A C 2.512 180.140 177.584 0.074 0.000 1.188 552 A CA 2.484 54.570 52.037 0.081 0.000 0.631 552 A CB -1.161 17.901 19.000 0.104 0.000 0.822 552 A HN 0.604 nan 8.150 nan 0.000 0.447 553 S N -0.275 115.481 115.700 0.093 0.000 2.359 553 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 553 S C 2.124 176.753 174.600 0.050 0.000 1.035 553 S CA 1.985 60.231 58.200 0.076 0.000 1.018 553 S CB -0.451 62.813 63.200 0.107 0.000 0.876 553 S HN 0.613 nan 8.310 nan 0.000 0.448 554 S N 0.679 116.408 115.700 0.049 0.000 2.474 554 S HA 0.067 4.537 4.470 -0.000 0.000 0.235 554 S C 1.626 176.237 174.600 0.019 0.000 0.997 554 S CA 0.720 58.933 58.200 0.023 0.000 0.949 554 S CB -0.139 63.070 63.200 0.015 0.000 0.766 554 S HN 0.458 nan 8.310 nan 0.000 0.517 555 S N 0.006 115.722 115.700 0.027 0.000 2.597 555 S HA 0.409 4.879 4.470 -0.000 0.000 0.224 555 S C 1.458 176.070 174.600 0.020 0.000 0.955 555 S CA 0.393 58.606 58.200 0.021 0.000 0.933 555 S CB 0.320 63.534 63.200 0.023 0.000 0.788 555 S HN 0.729 nan 8.310 nan 0.000 0.488 556 G N 0.746 109.558 108.800 0.021 0.000 2.195 556 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 556 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 556 G C 0.164 175.077 174.900 0.023 0.000 0.984 556 G CA -0.035 45.076 45.100 0.018 0.000 0.633 556 G HN 0.403 nan 8.290 nan 0.000 0.525 557 V N 2.574 122.508 119.914 0.033 0.000 2.572 557 V HA 0.392 4.512 4.120 -0.000 0.000 0.291 557 V C -1.568 174.545 176.094 0.032 0.000 1.039 557 V CA -0.902 61.420 62.300 0.038 0.000 1.055 557 V CB 1.308 33.166 31.823 0.058 0.000 0.969 557 V HN 0.143 nan 8.190 nan 0.000 0.482 558 P HA 0.343 nan 4.420 nan 0.000 0.281 558 P C -1.052 176.242 177.300 -0.010 0.000 1.252 558 P CA -0.136 62.965 63.100 0.001 0.000 0.778 558 P CB 0.965 32.657 31.700 -0.015 0.000 0.895 559 V N 4.499 124.409 119.914 -0.007 0.000 2.525 559 V HA 0.360 4.480 4.120 -0.000 0.000 0.299 559 V C -0.489 175.590 176.094 -0.025 0.000 1.034 559 V CA -0.580 61.707 62.300 -0.023 0.000 0.863 559 V CB 1.818 33.647 31.823 0.010 0.000 0.999 559 V HN 0.460 nan 8.190 nan 0.000 0.423 560 N N 5.692 124.346 118.700 -0.076 0.000 2.443 560 N HA 0.600 5.340 4.740 -0.000 0.000 0.269 560 N C -1.055 174.516 175.510 0.102 0.000 0.985 560 N CA -0.348 52.686 53.050 -0.026 0.000 0.921 560 N CB 2.549 40.843 38.487 -0.321 0.000 1.195 560 N HN 0.509 nan 8.380 nan 0.000 0.492 561 L N 1.665 123.010 121.223 0.204 0.000 2.331 561 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 561 L C -0.416 176.563 176.870 0.183 0.000 1.022 561 L CA -1.015 53.918 54.840 0.155 0.000 0.812 561 L CB 1.571 43.649 42.059 0.032 0.000 1.257 561 L HN 0.238 nan 8.230 nan 0.000 0.435 562 L N 4.004 125.268 121.223 0.068 0.000 2.492 562 L HA 0.465 4.805 4.340 -0.000 0.000 0.258 562 L C -1.038 175.788 176.870 -0.074 0.000 1.028 562 L CA -0.197 54.558 54.840 -0.142 0.000 0.900 562 L CB 1.451 43.292 42.059 -0.364 0.000 1.191 562 L HN 0.230 nan 8.230 nan 0.000 0.459 563 V N 5.338 125.217 119.914 -0.059 0.000 2.384 563 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 563 V C 1.042 177.116 176.094 -0.033 0.000 1.020 563 V CA -0.547 61.731 62.300 -0.036 0.000 0.850 563 V CB 1.302 33.113 31.823 -0.020 0.000 0.987 563 V HN 0.781 nan 8.190 nan 0.000 0.436 564 R N 3.524 124.004 120.500 -0.033 0.000 2.161 564 R HA 0.269 4.609 4.340 -0.000 0.000 0.213 564 R C 1.181 177.460 176.300 -0.035 0.000 1.055 564 R CA 1.094 57.189 56.100 -0.008 0.000 0.996 564 R CB -0.043 30.261 30.300 0.006 0.000 0.901 564 R HN 0.659 nan 8.270 nan 0.000 0.456 565 G N 0.823 109.512 108.800 -0.186 0.000 3.434 565 G HA2 0.331 4.291 3.960 -0.000 0.000 0.192 565 G HA3 0.331 4.291 3.960 -0.000 0.000 0.192 565 G C -0.306 174.536 174.900 -0.097 0.000 1.704 565 G CA -0.848 44.013 45.100 -0.399 0.000 0.936 565 G HN 0.055 nan 8.290 nan 0.000 0.623 566 M N -0.191 119.389 119.600 -0.033 0.000 2.243 566 M HA 0.396 4.876 4.480 -0.000 0.000 0.341 566 M C -0.816 175.529 176.300 0.076 0.000 1.130 566 M CA 0.110 55.461 55.300 0.084 0.000 1.162 566 M CB 1.367 34.062 32.600 0.157 0.000 1.497 566 M HN 0.303 nan 8.290 nan 0.000 0.456 567 C N 2.427 121.785 119.300 0.097 0.000 3.296 567 C HA 0.269 4.729 4.460 -0.000 0.000 0.317 567 C C 1.281 176.344 174.990 0.121 0.000 1.040 567 C CA -0.527 58.546 59.018 0.091 0.000 1.352 567 C CB -0.410 27.371 27.740 0.069 0.000 1.797 567 C HN 1.054 nan 8.230 nan 0.000 0.552 568 S N 2.923 118.706 115.700 0.137 0.000 2.547 568 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 568 S C 0.612 175.352 174.600 0.233 0.000 0.980 568 S CA 0.338 58.646 58.200 0.180 0.000 0.941 568 S CB -0.199 63.097 63.200 0.160 0.000 0.763 568 S HN 0.884 nan 8.310 nan 0.000 0.532 569 L N 2.347 123.676 121.223 0.177 0.000 2.331 569 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 569 L C -0.865 176.137 176.870 0.220 0.000 1.106 569 L CA -0.604 54.352 54.840 0.193 0.000 0.824 569 L CB 1.027 43.118 42.059 0.052 0.000 1.142 569 L HN 0.066 nan 8.230 nan 0.000 0.443 570 I N 6.285 127.036 120.570 0.302 0.000 2.297 570 I HA 0.366 4.535 4.170 -0.000 0.000 0.291 570 I C -1.903 174.317 176.117 0.173 0.000 1.033 570 I CA -1.698 59.710 61.300 0.181 0.000 1.253 570 I CB 0.466 38.529 38.000 0.104 0.000 1.396 570 I HN 0.632 nan 8.210 nan 0.000 0.476 571 P HA 0.331 nan 4.420 nan 0.000 0.284 571 P C -0.508 176.812 177.300 0.034 0.000 1.258 571 P CA -0.261 62.897 63.100 0.096 0.000 0.824 571 P CB 0.672 32.422 31.700 0.084 0.000 1.038 572 N N 0.303 119.013 118.700 0.017 0.000 2.791 572 N HA -0.125 4.615 4.740 -0.000 0.000 0.250 572 N C -0.945 174.538 175.510 -0.046 0.000 1.082 572 N CA 0.561 53.599 53.050 -0.020 0.000 0.680 572 N CB -1.864 36.603 38.487 -0.033 0.000 0.918 572 N HN 0.523 nan 8.380 nan 0.000 0.555 573 L N 1.376 122.555 121.223 -0.073 0.000 2.295 573 L HA 0.165 4.505 4.340 -0.000 0.000 0.281 573 L C 0.824 177.627 176.870 -0.111 0.000 1.018 573 L CA -0.691 54.080 54.840 -0.115 0.000 0.841 573 L CB 0.925 42.863 42.059 -0.202 0.000 1.218 573 L HN 0.183 nan 8.230 nan 0.000 0.424 574 E N 2.982 123.132 120.200 -0.084 0.000 3.288 574 E HA -0.130 4.220 4.350 -0.000 0.000 0.237 574 E C 1.003 177.554 176.600 -0.082 0.000 0.958 574 E CA 0.691 57.049 56.400 -0.070 0.000 0.947 574 E CB -0.204 29.460 29.700 -0.060 0.000 0.896 574 E HN 0.901 nan 8.360 nan 0.000 0.566 575 G N 2.023 110.781 108.800 -0.071 0.000 2.225 575 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.254 575 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.254 575 G C 0.746 175.588 174.900 -0.096 0.000 0.988 575 G CA 0.243 45.301 45.100 -0.071 0.000 0.625 575 G HN 0.487 nan 8.290 nan 0.000 0.527 576 I N 0.397 120.880 120.570 -0.146 0.000 3.196 576 I HA 0.386 4.556 4.170 -0.000 0.000 0.248 576 I C 1.911 177.929 176.117 -0.165 0.000 1.105 576 I CA 1.628 62.784 61.300 -0.240 0.000 1.482 576 I CB 0.213 37.939 38.000 -0.457 0.000 1.400 576 I HN 1.010 nan 8.210 nan 0.000 0.464 577 S N -0.649 114.971 115.700 -0.133 0.000 2.474 577 S HA 0.279 4.749 4.470 -0.000 0.000 0.224 577 S C 0.133 174.739 174.600 0.009 0.000 1.209 577 S CA -0.524 57.683 58.200 0.012 0.000 1.212 577 S CB -0.325 62.939 63.200 0.107 0.000 1.137 577 S HN 0.427 nan 8.310 nan 0.000 0.446 578 D N 2.209 122.604 120.400 -0.008 0.000 2.312 578 D HA -0.018 4.622 4.640 -0.000 0.000 0.211 578 D C 0.370 176.675 176.300 0.007 0.000 0.964 578 D CA 0.612 54.606 54.000 -0.009 0.000 0.877 578 D CB 0.035 40.825 40.800 -0.017 0.000 0.924 578 D HN 0.533 nan 8.370 nan 0.000 0.515 579 N N 0.441 119.155 118.700 0.022 0.000 2.389 579 N HA 0.098 4.838 4.740 -0.000 0.000 0.260 579 N C -0.524 175.008 175.510 0.038 0.000 1.191 579 N CA 0.018 53.083 53.050 0.025 0.000 0.885 579 N CB 1.424 39.925 38.487 0.023 0.000 1.162 579 N HN -0.019 nan 8.380 nan 0.000 0.512 580 I N 0.841 121.441 120.570 0.050 0.000 2.420 580 I HA 0.326 4.496 4.170 -0.000 0.000 0.282 580 I C 0.326 176.484 176.117 0.069 0.000 1.019 580 I CA -1.056 60.283 61.300 0.065 0.000 1.130 580 I CB 1.522 39.582 38.000 0.101 0.000 1.262 580 I HN 0.050 nan 8.210 nan 0.000 0.454 581 R N 3.771 124.317 120.500 0.076 0.000 2.255 581 R HA 0.808 5.148 4.340 -0.000 0.000 0.326 581 R C -0.475 175.914 176.300 0.150 0.000 0.986 581 R CA -0.174 55.992 56.100 0.111 0.000 0.847 581 R CB 1.334 31.708 30.300 0.123 0.000 1.111 581 R HN 0.887 nan 8.270 nan 0.000 0.452 582 A N 4.601 127.509 122.820 0.147 0.000 2.374 582 A HA 0.649 4.969 4.320 -0.000 0.000 0.305 582 A C -0.537 177.115 177.584 0.113 0.000 1.053 582 A CA -0.676 51.439 52.037 0.130 0.000 0.726 582 A CB 1.164 20.218 19.000 0.089 0.000 1.229 582 A HN 0.682 nan 8.150 nan 0.000 0.431 583 I N -1.100 119.487 120.570 0.027 0.000 3.145 583 I HA 0.961 5.131 4.170 -0.000 0.000 0.313 583 I C -0.221 175.826 176.117 -0.117 0.000 1.122 583 I CA -0.590 60.677 61.300 -0.056 0.000 0.987 583 I CB 1.148 39.061 38.000 -0.144 0.000 1.236 583 I HN 1.214 nan 8.210 nan 0.000 0.453 584 S N 0.879 116.500 115.700 -0.132 0.000 2.557 584 S HA 0.813 5.283 4.470 -0.000 0.000 0.291 584 S C -1.055 173.458 174.600 -0.145 0.000 1.116 584 S CA -0.390 57.741 58.200 -0.116 0.000 0.992 584 S CB 1.226 64.387 63.200 -0.066 0.000 1.028 584 S HN 1.184 nan 8.310 nan 0.000 0.484 585 I N 4.834 125.333 120.570 -0.118 0.000 2.382 585 I HA 0.509 4.679 4.170 -0.000 0.000 0.285 585 I C -0.454 175.632 176.117 -0.051 0.000 1.007 585 I CA -0.748 60.489 61.300 -0.104 0.000 1.142 585 I CB 0.832 38.771 38.000 -0.101 0.000 1.289 585 I HN 0.665 nan 8.210 nan 0.000 0.453 586 V N 4.921 124.794 119.914 -0.068 0.000 2.334 586 V HA 0.557 4.677 4.120 -0.000 0.000 0.281 586 V C -0.224 175.837 176.094 -0.055 0.000 1.016 586 V CA -0.178 62.101 62.300 -0.035 0.000 0.832 586 V CB 1.290 33.060 31.823 -0.089 0.000 0.999 586 V HN 0.852 nan 8.190 nan 0.000 0.439 587 D N 2.598 122.994 120.400 -0.008 0.000 2.846 587 D HA 0.452 5.092 4.640 -0.000 0.000 0.273 587 D C 1.217 177.551 176.300 0.058 0.000 1.145 587 D CA -0.747 53.243 54.000 -0.017 0.000 1.091 587 D CB 1.732 42.494 40.800 -0.064 0.000 1.364 587 D HN 0.204 nan 8.370 nan 0.000 0.613 588 R N -0.607 119.869 120.500 -0.040 0.000 2.132 588 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 588 R C 0.671 176.973 176.300 0.002 0.000 1.125 588 R CA 1.462 57.526 56.100 -0.061 0.000 0.914 588 R CB -0.594 29.477 30.300 -0.382 0.000 0.845 588 R HN 0.448 nan 8.270 nan 0.000 0.431 589 Y N 0.515 120.809 120.300 -0.010 0.000 2.385 589 Y HA 0.110 4.660 4.550 -0.000 0.000 0.346 589 Y C 0.609 176.447 175.900 -0.104 0.000 1.270 589 Y CA -0.871 57.181 58.100 -0.080 0.000 1.472 589 Y CB 0.413 38.811 38.460 -0.104 0.000 1.354 589 Y HN 0.094 nan 8.280 nan 0.000 0.611 590 L N 2.151 123.343 121.223 -0.052 0.000 2.287 590 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 590 L C -0.527 176.263 176.870 -0.134 0.000 1.022 590 L CA -0.877 53.818 54.840 -0.241 0.000 0.814 590 L CB 1.013 42.614 42.059 -0.763 0.000 1.217 590 L HN 0.583 nan 8.230 nan 0.000 0.420 591 E N 3.267 123.466 120.200 -0.001 0.000 2.328 591 E HA -0.032 4.318 4.350 -0.000 0.000 0.265 591 E C 0.086 176.820 176.600 0.223 0.000 1.057 591 E CA 0.456 56.925 56.400 0.114 0.000 0.916 591 E CB 0.642 30.407 29.700 0.109 0.000 0.993 591 E HN 0.553 nan 8.360 nan 0.000 0.446 592 H N 1.721 120.905 119.070 0.190 0.000 3.046 592 H HA 0.005 4.561 4.556 -0.000 0.000 0.262 592 H C -0.483 174.999 175.328 0.257 0.000 1.044 592 H CA -0.274 55.953 56.048 0.298 0.000 1.209 592 H CB 0.970 31.023 29.762 0.485 0.000 1.507 592 H HN 0.384 nan 8.280 nan 0.000 0.507 593 D N 0.991 121.571 120.400 0.299 0.000 2.313 593 D HA 0.145 4.785 4.640 -0.000 0.000 0.239 593 D C -0.357 176.081 176.300 0.229 0.000 1.142 593 D CA -0.462 53.698 54.000 0.266 0.000 0.847 593 D CB 1.163 42.166 40.800 0.338 0.000 1.082 593 D HN 0.148 nan 8.370 nan 0.000 0.480 594 R N 0.995 121.588 120.500 0.155 0.000 2.393 594 R HA 0.517 4.857 4.340 -0.000 0.000 0.310 594 R C -0.116 176.127 176.300 -0.094 0.000 0.968 594 R CA -0.974 55.175 56.100 0.083 0.000 0.867 594 R CB 2.010 32.395 30.300 0.142 0.000 1.124 594 R HN 0.496 nan 8.270 nan 0.000 0.450 595 V N 1.419 121.296 119.914 -0.062 0.000 2.881 595 V HA 0.640 4.760 4.120 -0.000 0.000 0.316 595 V C -1.329 174.743 176.094 -0.037 0.000 1.070 595 V CA -0.681 61.531 62.300 -0.146 0.000 0.976 595 V CB 1.564 33.355 31.823 -0.055 0.000 1.038 595 V HN 0.732 nan 8.190 nan 0.000 0.446 596 Y N 2.835 123.204 120.300 0.116 0.000 2.373 596 Y HA 0.793 5.343 4.550 -0.000 0.000 0.336 596 Y C -0.281 175.612 175.900 -0.013 0.000 0.979 596 Y CA -1.111 57.030 58.100 0.069 0.000 1.080 596 Y CB 2.477 41.145 38.460 0.347 0.000 1.190 596 Y HN 0.619 nan 8.280 nan 0.000 0.446 597 I N 3.624 124.081 120.570 -0.188 0.000 2.478 597 I HA 0.448 4.618 4.170 -0.000 0.000 0.287 597 I C -0.939 174.916 176.117 -0.436 0.000 1.042 597 I CA -1.257 59.951 61.300 -0.154 0.000 1.067 597 I CB 0.786 38.712 38.000 -0.123 0.000 1.233 597 I HN 0.471 nan 8.210 nan 0.000 0.431 598 F N 1.876 121.910 119.950 0.139 0.000 2.508 598 F HA 0.566 5.093 4.527 -0.000 0.000 0.325 598 F C 1.453 177.290 175.800 0.061 0.000 1.090 598 F CA -0.676 57.386 58.000 0.104 0.000 0.945 598 F CB 1.810 40.892 39.000 0.137 0.000 1.156 598 F HN 0.554 nan 8.300 nan 0.000 0.463 599 E N 1.857 122.164 120.200 0.180 0.000 2.077 599 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 599 E C 0.438 177.107 176.600 0.115 0.000 0.989 599 E CA 1.242 57.703 56.400 0.102 0.000 0.800 599 E CB -0.208 29.530 29.700 0.063 0.000 0.746 599 E HN 0.577 nan 8.360 nan 0.000 0.452 600 N N -0.424 118.364 118.700 0.147 0.000 2.642 600 N HA -0.244 4.496 4.740 -0.000 0.000 0.269 600 N C 0.352 175.899 175.510 0.062 0.000 1.073 600 N CA 1.516 54.628 53.050 0.103 0.000 0.748 600 N CB -1.251 37.304 38.487 0.113 0.000 0.894 600 N HN 0.538 nan 8.380 nan 0.000 0.548 601 G N 0.599 109.429 108.800 0.051 0.000 2.687 601 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.303 601 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.303 601 G C 0.967 175.884 174.900 0.029 0.000 1.209 601 G CA 0.788 45.907 45.100 0.032 0.000 0.968 601 G HN 1.482 nan 8.290 nan 0.000 0.549 602 G N -0.486 108.328 108.800 0.023 0.000 2.695 602 G HA2 0.383 4.343 3.960 -0.000 0.000 0.205 602 G HA3 0.383 4.343 3.960 -0.000 0.000 0.205 602 G C 0.166 175.076 174.900 0.016 0.000 1.068 602 G CA 1.312 46.422 45.100 0.016 0.000 0.842 602 G HN 0.801 nan 8.290 nan 0.000 0.628 603 D N 1.923 122.335 120.400 0.020 0.000 2.435 603 D HA 0.227 4.867 4.640 -0.000 0.000 0.230 603 D C 0.246 176.567 176.300 0.035 0.000 1.215 603 D CA -0.162 53.849 54.000 0.019 0.000 0.947 603 D CB 0.037 40.847 40.800 0.016 0.000 1.048 603 D HN 0.084 nan 8.370 nan 0.000 0.512 604 K N 2.739 123.157 120.400 0.030 0.000 2.448 604 K HA 0.103 4.423 4.320 -0.000 0.000 0.278 604 K C 0.350 176.986 176.600 0.060 0.000 1.009 604 K CA 0.166 56.484 56.287 0.053 0.000 0.995 604 K CB 0.899 33.412 32.500 0.021 0.000 0.917 604 K HN 0.223 nan 8.250 nan 0.000 0.481 605 K N 2.136 122.621 120.400 0.143 0.000 2.213 605 K HA 0.298 4.618 4.320 -0.000 0.000 0.270 605 K C -0.992 175.711 176.600 0.171 0.000 1.002 605 K CA -0.644 55.727 56.287 0.140 0.000 0.868 605 K CB 1.583 34.260 32.500 0.294 0.000 1.093 605 K HN 0.200 nan 8.250 nan 0.000 0.454 606 V N 4.749 124.646 119.914 -0.028 0.000 2.376 606 V HA 0.281 4.401 4.120 -0.000 0.000 0.287 606 V C -1.115 174.893 176.094 -0.144 0.000 1.015 606 V CA -0.930 61.356 62.300 -0.023 0.000 0.834 606 V CB 0.327 32.090 31.823 -0.100 0.000 1.001 606 V HN 0.594 nan 8.190 nan 0.000 0.428 607 Y N 4.348 124.684 120.300 0.060 0.000 2.361 607 Y HA 0.632 5.182 4.550 -0.000 0.000 0.332 607 Y C 0.134 175.917 175.900 -0.195 0.000 1.101 607 Y CA -0.909 57.191 58.100 -0.000 0.000 1.137 607 Y CB 1.684 40.261 38.460 0.195 0.000 1.207 607 Y HN 0.404 nan 8.280 nan 0.000 0.463 608 L N 3.038 124.209 121.223 -0.087 0.000 2.298 608 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 608 L C -0.068 176.718 176.870 -0.140 0.000 1.013 608 L CA -0.341 54.386 54.840 -0.188 0.000 0.824 608 L CB 1.396 43.298 42.059 -0.261 0.000 1.221 608 L HN 0.644 nan 8.230 nan 0.000 0.418 609 S N 0.853 116.409 115.700 -0.239 0.000 2.715 609 S HA 0.547 5.016 4.470 -0.000 0.000 0.307 609 S C 0.595 175.178 174.600 -0.029 0.000 1.119 609 S CA 0.045 58.144 58.200 -0.169 0.000 0.937 609 S CB 1.966 64.925 63.200 -0.401 0.000 1.150 609 S HN 0.619 nan 8.310 nan 0.000 0.521 610 S N 0.292 116.023 115.700 0.052 0.000 2.666 610 S HA 0.543 5.013 4.470 -0.000 0.000 0.239 610 S C 0.249 175.028 174.600 0.298 0.000 1.031 610 S CA 0.077 58.342 58.200 0.109 0.000 1.015 610 S CB 0.136 63.318 63.200 -0.030 0.000 0.981 610 S HN 1.003 nan 8.310 nan 0.000 0.547 611 A N 1.551 124.535 122.820 0.273 0.000 2.317 611 A HA 0.662 4.982 4.320 -0.000 0.000 0.327 611 A C -0.585 177.242 177.584 0.405 0.000 1.178 611 A CA -0.600 51.618 52.037 0.301 0.000 0.817 611 A CB 0.607 19.755 19.000 0.245 0.000 1.189 611 A HN 0.280 nan 8.150 nan 0.000 0.489 612 D N 0.721 121.312 120.400 0.317 0.000 2.348 612 D HA 0.181 4.821 4.640 -0.000 0.000 0.249 612 D C -0.676 175.908 176.300 0.473 0.000 1.110 612 D CA 0.244 54.461 54.000 0.362 0.000 0.967 612 D CB 0.644 41.574 40.800 0.217 0.000 1.139 612 D HN 0.570 nan 8.370 nan 0.000 0.466 613 W N 1.827 123.180 121.300 0.087 0.000 1.836 613 W HA 0.286 4.946 4.660 -0.000 0.000 0.449 613 W C 0.038 176.578 176.519 0.034 0.000 0.787 613 W CA -0.298 57.068 57.345 0.035 0.000 1.729 613 W CB -0.770 28.698 29.460 0.013 0.000 1.802 613 W HN -0.052 nan 8.180 nan 0.000 0.257 614 M N 0.620 120.339 119.600 0.198 0.000 2.457 614 M HA 0.148 4.628 4.480 -0.000 0.000 0.300 614 M C 1.347 177.696 176.300 0.082 0.000 1.141 614 M CA -0.426 54.951 55.300 0.129 0.000 0.901 614 M CB 2.399 35.071 32.600 0.120 0.000 1.687 614 M HN -0.085 nan 8.290 nan 0.000 0.449 615 T N 0.979 115.579 114.554 0.076 0.000 2.653 615 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 615 T C 1.556 176.350 174.700 0.157 0.000 1.035 615 T CA 2.194 64.347 62.100 0.089 0.000 1.154 615 T CB -0.393 68.543 68.868 0.114 0.000 0.862 615 T HN 0.722 nan 8.240 nan 0.000 0.441 616 R N 1.537 122.141 120.500 0.173 0.000 2.193 616 R HA 0.029 4.369 4.340 -0.000 0.000 0.229 616 R C 1.741 178.133 176.300 0.153 0.000 1.110 616 R CA 1.379 57.612 56.100 0.223 0.000 0.988 616 R CB -0.357 30.014 30.300 0.120 0.000 0.871 616 R HN 0.324 nan 8.270 nan 0.000 0.458 617 N N 0.266 119.022 118.700 0.093 0.000 2.373 617 N HA 0.041 4.781 4.740 -0.000 0.000 0.181 617 N C 1.157 176.675 175.510 0.014 0.000 1.082 617 N CA 0.652 53.741 53.050 0.065 0.000 0.885 617 N CB 0.459 38.998 38.487 0.088 0.000 0.977 617 N HN 0.132 nan 8.380 nan 0.000 0.462 618 I N 0.088 120.637 120.570 -0.036 0.000 3.172 618 I HA 0.112 4.282 4.170 -0.000 0.000 0.278 618 I C 1.058 177.070 176.117 -0.175 0.000 1.174 618 I CA 0.622 61.839 61.300 -0.137 0.000 1.445 618 I CB -0.136 37.735 38.000 -0.215 0.000 1.175 618 I HN 0.016 nan 8.210 nan 0.000 0.447 619 D N -1.926 118.360 120.400 -0.190 0.000 2.479 619 D HA 0.115 4.755 4.640 -0.000 0.000 0.216 619 D C 1.057 176.996 176.300 -0.602 0.000 1.110 619 D CA 0.480 54.225 54.000 -0.425 0.000 0.841 619 D CB 0.754 41.185 40.800 -0.615 0.000 1.040 619 D HN 0.499 nan 8.370 nan 0.000 0.505 620 Y N 0.299 120.592 120.300 -0.010 0.000 2.432 620 Y HA 0.309 4.859 4.550 -0.000 0.000 0.252 620 Y C 0.873 176.786 175.900 0.021 0.000 1.097 620 Y CA -0.224 57.880 58.100 0.005 0.000 1.250 620 Y CB 1.052 39.515 38.460 0.004 0.000 1.245 620 Y HN -0.349 nan 8.280 nan 0.000 0.522 621 R N -0.060 120.516 120.500 0.128 0.000 2.902 621 R HA 0.619 4.959 4.340 -0.000 0.000 0.258 621 R C -1.061 175.280 176.300 0.069 0.000 1.071 621 R CA -1.089 55.071 56.100 0.101 0.000 1.024 621 R CB 1.886 32.243 30.300 0.095 0.000 1.184 621 R HN -0.254 nan 8.270 nan 0.000 0.492 622 I N 2.300 122.907 120.570 0.063 0.000 2.322 622 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 622 I C 0.090 176.219 176.117 0.020 0.000 1.060 622 I CA -0.286 61.048 61.300 0.055 0.000 1.309 622 I CB 0.229 38.265 38.000 0.061 0.000 1.415 622 I HN 0.515 nan 8.210 nan 0.000 0.492 623 E N 3.662 123.866 120.200 0.005 0.000 2.299 623 E HA 0.755 5.105 4.350 -0.000 0.000 0.265 623 E C -1.238 175.331 176.600 -0.051 0.000 0.911 623 E CA -0.693 55.714 56.400 0.012 0.000 0.789 623 E CB 2.986 32.722 29.700 0.060 0.000 1.246 623 E HN 0.386 nan 8.360 nan 0.000 0.427 624 V N 0.526 120.415 119.914 -0.042 0.000 2.668 624 V HA 0.620 4.740 4.120 -0.000 0.000 0.304 624 V C -0.915 175.166 176.094 -0.022 0.000 1.071 624 V CA -0.769 61.483 62.300 -0.080 0.000 0.894 624 V CB 1.786 33.541 31.823 -0.113 0.000 1.008 624 V HN 0.784 nan 8.190 nan 0.000 0.425 625 A N 3.086 125.916 122.820 0.016 0.000 2.355 625 A HA 0.921 5.241 4.320 -0.000 0.000 0.317 625 A C -0.234 177.447 177.584 0.162 0.000 1.094 625 A CA -0.542 51.554 52.037 0.099 0.000 0.764 625 A CB 1.598 20.732 19.000 0.224 0.000 1.230 625 A HN 0.717 nan 8.150 nan 0.000 0.448 626 T N 4.321 118.949 114.554 0.124 0.000 2.829 626 T HA 0.689 5.039 4.350 -0.000 0.000 0.280 626 T C -2.848 171.812 174.700 -0.066 0.000 0.999 626 T CA -1.225 60.910 62.100 0.058 0.000 0.983 626 T CB 1.811 70.644 68.868 -0.059 0.000 0.968 626 T HN 0.566 nan 8.240 nan 0.000 0.446 627 P HA 0.374 nan 4.420 nan 0.000 0.281 627 P C -0.865 176.244 177.300 -0.318 0.000 1.249 627 P CA -0.688 62.055 63.100 -0.595 0.000 0.810 627 P CB 1.133 32.491 31.700 -0.570 0.000 1.008 628 L N 3.691 124.728 121.223 -0.310 0.000 2.352 628 L HA 0.234 4.574 4.340 -0.000 0.000 0.272 628 L C 1.854 178.615 176.870 -0.181 0.000 1.109 628 L CA -0.470 54.233 54.840 -0.229 0.000 0.952 628 L CB 0.035 41.956 42.059 -0.229 0.000 1.314 628 L HN 0.303 nan 8.230 nan 0.000 0.427 629 L N 0.111 121.236 121.223 -0.164 0.000 2.191 629 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 629 L C 0.979 177.780 176.870 -0.115 0.000 1.103 629 L CA 0.889 55.653 54.840 -0.126 0.000 0.769 629 L CB -0.277 41.697 42.059 -0.143 0.000 0.908 629 L HN 0.609 nan 8.230 nan 0.000 0.438 630 D N 1.203 121.523 120.400 -0.133 0.000 2.336 630 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 630 D C -1.367 174.865 176.300 -0.114 0.000 1.213 630 D CA -2.359 51.568 54.000 -0.122 0.000 0.870 630 D CB 1.313 42.027 40.800 -0.144 0.000 1.076 630 D HN -0.052 nan 8.370 nan 0.000 0.483 631 P HA -0.158 nan 4.420 nan 0.000 0.219 631 P C 1.185 178.438 177.300 -0.079 0.000 1.146 631 P CA 0.828 63.882 63.100 -0.077 0.000 0.808 631 P CB 0.542 32.208 31.700 -0.056 0.000 0.779 632 R N -0.299 120.148 120.500 -0.089 0.000 2.062 632 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 632 R C 2.691 178.935 176.300 -0.094 0.000 1.136 632 R CA 1.162 57.210 56.100 -0.087 0.000 0.948 632 R CB -0.855 29.379 30.300 -0.109 0.000 0.845 632 R HN 0.210 nan 8.270 nan 0.000 0.430 633 L N 0.622 121.768 121.223 -0.127 0.000 2.141 633 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 633 L C 2.535 179.313 176.870 -0.152 0.000 1.094 633 L CA 1.199 55.952 54.840 -0.145 0.000 0.763 633 L CB -0.394 41.557 42.059 -0.180 0.000 0.908 633 L HN 0.183 nan 8.230 nan 0.000 0.437 634 K N 0.054 120.369 120.400 -0.141 0.000 2.103 634 K HA -0.269 4.051 4.320 -0.000 0.000 0.207 634 K C 2.234 178.765 176.600 -0.115 0.000 1.048 634 K CA 1.463 57.666 56.287 -0.139 0.000 0.930 634 K CB 0.077 32.509 32.500 -0.114 0.000 0.716 634 K HN 0.074 nan 8.250 nan 0.000 0.444 635 Q N 0.935 120.685 119.800 -0.084 0.000 2.046 635 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 635 Q C 1.968 177.936 176.000 -0.053 0.000 0.975 635 Q CA 1.648 57.417 55.803 -0.056 0.000 0.836 635 Q CB -0.160 28.562 28.738 -0.027 0.000 0.896 635 Q HN 0.229 nan 8.270 nan 0.000 0.428 636 R N -0.794 119.685 120.500 -0.036 0.000 2.083 636 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 636 R C 2.018 178.227 176.300 -0.151 0.000 1.137 636 R CA 1.816 57.915 56.100 -0.002 0.000 0.951 636 R CB -0.377 29.952 30.300 0.048 0.000 0.851 636 R HN 0.252 nan 8.270 nan 0.000 0.434 637 V N 1.386 121.185 119.914 -0.192 0.000 2.392 637 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 637 V C 2.392 178.370 176.094 -0.194 0.000 1.059 637 V CA 1.714 63.861 62.300 -0.255 0.000 1.051 637 V CB -0.451 31.169 31.823 -0.338 0.000 0.658 637 V HN 0.364 nan 8.190 nan 0.000 0.455 638 L N -0.235 120.895 121.223 -0.154 0.000 2.083 638 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 638 L C 2.419 179.211 176.870 -0.131 0.000 1.083 638 L CA 1.479 56.247 54.840 -0.121 0.000 0.752 638 L CB -0.642 41.362 42.059 -0.093 0.000 0.899 638 L HN 0.406 nan 8.230 nan 0.000 0.433 639 D N -0.096 120.196 120.400 -0.179 0.000 2.084 639 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 639 D C 2.397 178.503 176.300 -0.323 0.000 0.985 639 D CA 1.319 55.173 54.000 -0.243 0.000 0.826 639 D CB -0.255 40.337 40.800 -0.346 0.000 0.978 639 D HN 0.127 nan 8.370 nan 0.000 0.456 640 I N 1.307 121.614 120.570 -0.437 0.000 2.151 640 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 640 I C 2.906 178.959 176.117 -0.108 0.000 1.080 640 I CA 0.538 61.643 61.300 -0.325 0.000 1.339 640 I CB -1.179 36.634 38.000 -0.311 0.000 1.039 640 I HN 0.084 nan 8.210 nan 0.000 0.409 641 I N 0.007 120.543 120.570 -0.057 0.000 2.423 641 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 641 I C 2.212 178.416 176.117 0.146 0.000 1.151 641 I CA 1.494 62.847 61.300 0.087 0.000 1.421 641 I CB -1.411 36.618 38.000 0.048 0.000 1.079 641 I HN 0.450 nan 8.210 nan 0.000 0.431 642 D N 0.226 120.638 120.400 0.020 0.000 2.103 642 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 642 D C 2.331 178.667 176.300 0.061 0.000 0.978 642 D CA 1.206 55.228 54.000 0.036 0.000 0.829 642 D CB -0.331 40.456 40.800 -0.023 0.000 0.981 642 D HN 0.333 nan 8.370 nan 0.000 0.464 643 I N 0.789 121.360 120.570 0.002 0.000 2.208 643 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 643 I C 2.665 178.804 176.117 0.037 0.000 1.097 643 I CA 0.573 61.879 61.300 0.009 0.000 1.363 643 I CB -1.051 36.930 38.000 -0.033 0.000 1.051 643 I HN 0.168 nan 8.210 nan 0.000 0.413 644 L N -0.919 120.334 121.223 0.051 0.000 1.955 644 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 644 L C 2.422 179.269 176.870 -0.039 0.000 1.072 644 L CA 1.917 56.762 54.840 0.008 0.000 0.755 644 L CB -0.828 41.240 42.059 0.014 0.000 0.888 644 L HN 0.218 nan 8.230 nan 0.000 0.432 645 F N -0.192 119.746 119.950 -0.019 0.000 2.664 645 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 645 F C 2.457 178.246 175.800 -0.019 0.000 1.164 645 F CA 1.027 59.014 58.000 -0.020 0.000 1.472 645 F CB -0.412 38.575 39.000 -0.022 0.000 1.108 645 F HN 0.150 nan 8.300 nan 0.000 0.596 646 S N -1.958 113.810 115.700 0.113 0.000 2.540 646 S HA 0.006 4.476 4.470 -0.000 0.000 0.218 646 S C 0.488 175.102 174.600 0.024 0.000 0.977 646 S CA -0.624 57.616 58.200 0.066 0.000 0.918 646 S CB -0.385 62.849 63.200 0.056 0.000 0.806 646 S HN 0.246 nan 8.310 nan 0.000 0.496 647 D N 2.280 122.677 120.400 -0.005 0.000 2.443 647 D HA 0.087 4.727 4.640 -0.000 0.000 0.239 647 D C -0.035 176.244 176.300 -0.034 0.000 1.136 647 D CA 0.999 54.983 54.000 -0.025 0.000 0.879 647 D CB 1.032 41.799 40.800 -0.055 0.000 1.195 647 D HN 0.465 nan 8.370 nan 0.000 0.443 648 T N 0.302 114.841 114.554 -0.025 0.000 3.794 648 T HA 0.304 4.654 4.350 -0.000 0.000 0.300 648 T C 0.376 175.063 174.700 -0.022 0.000 0.961 648 T CA -0.556 61.528 62.100 -0.027 0.000 1.025 648 T CB -0.137 68.720 68.868 -0.018 0.000 1.175 648 T HN 0.196 nan 8.240 nan 0.000 0.474 649 V N -0.037 119.870 119.914 -0.010 0.000 3.193 649 V HA 0.363 4.483 4.120 -0.000 0.000 0.237 649 V C 1.473 177.599 176.094 0.053 0.000 1.447 649 V CA -0.103 62.189 62.300 -0.014 0.000 1.227 649 V CB 0.825 32.631 31.823 -0.028 0.000 1.040 649 V HN 0.201 nan 8.190 nan 0.000 0.458 650 K N 0.583 121.011 120.400 0.047 0.000 2.425 650 K HA 0.475 4.795 4.320 -0.000 0.000 0.201 650 K C 0.739 177.316 176.600 -0.039 0.000 1.128 650 K CA 0.606 56.926 56.287 0.056 0.000 1.000 650 K CB 1.144 33.635 32.500 -0.014 0.000 0.961 650 K HN 0.344 nan 8.250 nan 0.000 0.555 651 A N 2.172 124.948 122.820 -0.073 0.000 2.477 651 A HA 0.310 4.630 4.320 -0.000 0.000 0.246 651 A C -0.142 177.276 177.584 -0.276 0.000 1.078 651 A CA 0.291 52.220 52.037 -0.179 0.000 0.770 651 A CB 0.156 19.042 19.000 -0.189 0.000 1.011 651 A HN 0.171 nan 8.150 nan 0.000 0.494 652 R N 0.365 120.664 120.500 -0.335 0.000 2.795 652 R HA 0.480 4.820 4.340 -0.000 0.000 0.275 652 R C -1.439 174.704 176.300 -0.261 0.000 0.981 652 R CA -0.536 55.329 56.100 -0.392 0.000 0.917 652 R CB 1.603 31.633 30.300 -0.450 0.000 1.202 652 R HN 0.781 nan 8.270 nan 0.000 0.469 653 Y N 0.419 120.653 120.300 -0.109 0.000 2.307 653 Y HA 0.311 4.861 4.550 -0.000 0.000 0.324 653 Y C 0.417 176.282 175.900 -0.057 0.000 1.238 653 Y CA -0.668 57.396 58.100 -0.060 0.000 1.280 653 Y CB 1.173 39.613 38.460 -0.033 0.000 1.248 653 Y HN 0.148 nan 8.280 nan 0.000 0.508 654 I N 2.619 123.293 120.570 0.172 0.000 2.339 654 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 654 I C -0.598 175.565 176.117 0.077 0.000 0.994 654 I CA -0.856 60.497 61.300 0.089 0.000 1.191 654 I CB 0.620 38.663 38.000 0.071 0.000 1.343 654 I HN 0.646 nan 8.210 nan 0.000 0.458 655 D N 3.254 123.685 120.400 0.052 0.000 2.531 655 D HA 0.320 4.960 4.640 -0.000 0.000 0.244 655 D C 0.428 176.747 176.300 0.032 0.000 1.090 655 D CA -1.093 52.922 54.000 0.025 0.000 0.989 655 D CB 1.284 42.083 40.800 -0.003 0.000 1.433 655 D HN 0.415 nan 8.370 nan 0.000 0.492 656 K N -0.815 119.598 120.400 0.022 0.000 2.555 656 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 656 K C 0.208 176.824 176.600 0.027 0.000 1.032 656 K CA 1.012 57.317 56.287 0.030 0.000 1.004 656 K CB 0.006 32.516 32.500 0.016 0.000 0.804 656 K HN 0.238 nan 8.250 nan 0.000 0.496 657 E N 0.678 120.890 120.200 0.019 0.000 2.498 657 E HA 0.259 4.609 4.350 -0.000 0.000 0.203 657 E C -0.139 176.473 176.600 0.020 0.000 1.013 657 E CA -0.069 56.341 56.400 0.017 0.000 0.927 657 E CB 0.194 29.898 29.700 0.006 0.000 1.012 657 E HN 0.192 nan 8.360 nan 0.000 0.482 658 L N 1.482 122.720 121.223 0.025 0.000 3.781 658 L HA -0.313 4.027 4.340 -0.000 0.000 0.426 658 L C 1.444 178.315 176.870 0.001 0.000 1.197 658 L CA 0.602 55.453 54.840 0.018 0.000 0.907 658 L CB -2.127 39.948 42.059 0.027 0.000 1.812 658 L HN 0.311 nan 8.230 nan 0.000 0.956 659 S N -1.465 114.238 115.700 0.005 0.000 2.453 659 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 659 S C 1.226 175.813 174.600 -0.021 0.000 1.005 659 S CA 0.841 59.041 58.200 -0.000 0.000 0.949 659 S CB -0.031 63.178 63.200 0.015 0.000 0.774 659 S HN 0.680 nan 8.310 nan 0.000 0.510 660 N N 1.550 120.228 118.700 -0.036 0.000 2.721 660 N HA -0.133 4.607 4.740 -0.000 0.000 0.249 660 N C -0.670 174.759 175.510 -0.135 0.000 1.072 660 N CA 0.726 53.708 53.050 -0.113 0.000 0.710 660 N CB -1.227 37.161 38.487 -0.165 0.000 0.993 660 N HN 0.675 nan 8.380 nan 0.000 0.547 661 R N -0.218 120.279 120.500 -0.004 0.000 2.641 661 R HA 0.155 4.495 4.340 -0.000 0.000 0.269 661 R C 0.042 176.330 176.300 -0.020 0.000 1.074 661 R CA -0.053 56.092 56.100 0.073 0.000 1.133 661 R CB 0.362 30.783 30.300 0.201 0.000 1.029 661 R HN 0.097 nan 8.270 nan 0.000 0.488 662 Y N 0.461 120.733 120.300 -0.046 0.000 2.335 662 Y HA 0.054 4.604 4.550 -0.000 0.000 0.331 662 Y C 0.596 176.342 175.900 -0.256 0.000 1.094 662 Y CA -0.299 57.710 58.100 -0.152 0.000 1.253 662 Y CB 1.001 39.391 38.460 -0.117 0.000 1.203 662 Y HN 0.235 nan 8.280 nan 0.000 0.508 663 V N 6.998 126.693 119.914 -0.366 0.000 2.509 663 V HA -0.017 4.103 4.120 -0.000 0.000 0.297 663 V C -1.980 174.037 176.094 -0.128 0.000 1.014 663 V CA -1.203 60.770 62.300 -0.545 0.000 1.127 663 V CB -0.053 31.472 31.823 -0.497 0.000 0.925 663 V HN 0.593 nan 8.190 nan 0.000 0.480 664 P HA 0.291 nan 4.420 nan 0.000 0.280 664 P C -0.696 176.616 177.300 0.020 0.000 1.244 664 P CA -0.647 62.475 63.100 0.036 0.000 0.784 664 P CB 0.437 32.191 31.700 0.090 0.000 0.913 665 R N 1.767 122.270 120.500 0.004 0.000 2.220 665 R HA 0.551 4.891 4.340 -0.000 0.000 0.340 665 R C 0.675 176.983 176.300 0.014 0.000 1.076 665 R CA -0.547 55.556 56.100 0.004 0.000 0.920 665 R CB -0.070 30.226 30.300 -0.008 0.000 1.062 665 R HN 0.473 nan 8.270 nan 0.000 0.469 666 G N 2.039 110.854 108.800 0.024 0.000 2.522 666 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.223 666 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.223 666 G C 0.373 175.282 174.900 0.015 0.000 1.565 666 G CA -0.571 44.543 45.100 0.024 0.000 1.053 666 G HN 0.703 nan 8.290 nan 0.000 0.547 667 N N 0.816 119.525 118.700 0.015 0.000 2.515 667 N HA -0.003 4.737 4.740 -0.000 0.000 0.191 667 N C 0.898 176.415 175.510 0.011 0.000 1.182 667 N CA 0.109 53.165 53.050 0.011 0.000 0.879 667 N CB -0.041 38.452 38.487 0.010 0.000 0.984 667 N HN 0.481 nan 8.380 nan 0.000 0.453 668 R N 0.229 120.738 120.500 0.014 0.000 2.583 668 R HA 0.347 4.687 4.340 -0.000 0.000 0.268 668 R C 0.088 176.395 176.300 0.011 0.000 1.101 668 R CA -0.561 55.548 56.100 0.015 0.000 1.180 668 R CB 1.044 31.356 30.300 0.020 0.000 1.128 668 R HN -0.110 nan 8.270 nan 0.000 0.568 669 R N 0.648 121.156 120.500 0.013 0.000 2.738 669 R HA 0.027 4.367 4.340 -0.000 0.000 0.268 669 R C 0.025 176.329 176.300 0.007 0.000 1.062 669 R CA -0.214 55.893 56.100 0.010 0.000 1.158 669 R CB 0.417 30.726 30.300 0.015 0.000 1.046 669 R HN 0.513 nan 8.270 nan 0.000 0.493 670 K N 2.317 122.718 120.400 0.003 0.000 2.284 670 K HA 0.185 4.505 4.320 -0.000 0.000 0.287 670 K C -1.163 175.439 176.600 0.003 0.000 1.081 670 K CA -0.191 56.094 56.287 -0.003 0.000 0.910 670 K CB 0.569 33.063 32.500 -0.010 0.000 1.088 670 K HN 0.250 nan 8.250 nan 0.000 0.478 671 V N 4.754 124.670 119.914 0.003 0.000 2.680 671 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 671 V C -0.336 175.761 176.094 0.005 0.000 1.052 671 V CA -0.956 61.351 62.300 0.011 0.000 0.908 671 V CB 1.810 33.644 31.823 0.018 0.000 1.001 671 V HN 0.747 nan 8.190 nan 0.000 0.431 672 R N 2.593 123.102 120.500 0.014 0.000 2.443 672 R HA 0.541 4.881 4.340 -0.000 0.000 0.287 672 R C 1.084 177.402 176.300 0.030 0.000 1.425 672 R CA 0.326 56.431 56.100 0.009 0.000 1.300 672 R CB 0.972 31.272 30.300 0.000 0.000 1.129 672 R HN 0.962 nan 8.270 nan 0.000 0.577 673 A N 2.685 125.521 122.820 0.027 0.000 1.887 673 A HA -0.333 3.987 4.320 -0.000 0.000 0.225 673 A C 1.630 179.273 177.584 0.098 0.000 1.464 673 A CA 1.868 53.934 52.037 0.049 0.000 0.717 673 A CB -0.584 18.436 19.000 0.033 0.000 0.848 673 A HN 0.837 nan 8.150 nan 0.000 0.477 674 Q N -1.169 118.696 119.800 0.108 0.000 2.389 674 Q HA -0.157 4.183 4.340 -0.000 0.000 0.213 674 Q C 1.963 178.112 176.000 0.247 0.000 0.989 674 Q CA 1.397 57.319 55.803 0.197 0.000 0.891 674 Q CB -0.283 28.473 28.738 0.029 0.000 0.923 674 Q HN 0.754 nan 8.270 nan 0.000 0.455 675 L N -1.231 120.082 121.223 0.150 0.000 2.388 675 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 675 L C 2.217 179.209 176.870 0.204 0.000 1.061 675 L CA 0.454 55.397 54.840 0.171 0.000 0.834 675 L CB -0.135 41.971 42.059 0.079 0.000 1.029 675 L HN 0.084 nan 8.230 nan 0.000 0.473 676 A N 0.017 122.918 122.820 0.135 0.000 1.933 676 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 676 A C 2.270 179.920 177.584 0.111 0.000 1.175 676 A CA 1.726 53.834 52.037 0.118 0.000 0.628 676 A CB -0.776 18.271 19.000 0.079 0.000 0.814 676 A HN 0.219 nan 8.150 nan 0.000 0.444 677 I N -1.464 119.142 120.570 0.060 0.000 2.264 677 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 677 I C 2.418 178.403 176.117 -0.221 0.000 1.111 677 I CA 1.595 62.830 61.300 -0.110 0.000 1.382 677 I CB -1.813 36.057 38.000 -0.216 0.000 1.060 677 I HN 0.710 nan 8.210 nan 0.000 0.418 678 Y N 1.537 121.750 120.300 -0.145 0.000 2.200 678 Y HA -0.255 4.295 4.550 -0.000 0.000 0.290 678 Y C 2.339 178.271 175.900 0.054 0.000 1.137 678 Y CA 2.049 60.167 58.100 0.030 0.000 1.163 678 Y CB -0.364 38.277 38.460 0.302 0.000 0.988 678 Y HN 0.253 nan 8.280 nan 0.000 0.518 679 D N -0.814 119.658 120.400 0.121 0.000 2.178 679 D HA -0.215 4.424 4.640 -0.000 0.000 0.202 679 D C 1.793 178.075 176.300 -0.030 0.000 0.974 679 D CA 1.364 55.382 54.000 0.029 0.000 0.841 679 D CB -0.618 40.253 40.800 0.118 0.000 0.953 679 D HN 0.506 nan 8.370 nan 0.000 0.478 680 Y N 1.464 121.709 120.300 -0.092 0.000 2.114 680 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 680 Y C 2.506 178.340 175.900 -0.109 0.000 1.143 680 Y CA 1.319 59.369 58.100 -0.084 0.000 1.135 680 Y CB -0.365 38.047 38.460 -0.079 0.000 0.980 680 Y HN -0.182 nan 8.280 nan 0.000 0.499 681 I N 0.327 120.885 120.570 -0.019 0.000 2.142 681 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 681 I C 2.412 178.418 176.117 -0.184 0.000 1.078 681 I CA 1.737 62.979 61.300 -0.096 0.000 1.343 681 I CB -1.326 36.560 38.000 -0.190 0.000 1.046 681 I HN 0.268 nan 8.210 nan 0.000 0.405 682 K N 1.619 121.829 120.400 -0.317 0.000 2.089 682 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 682 K C 2.250 178.758 176.600 -0.154 0.000 1.048 682 K CA 2.171 58.280 56.287 -0.296 0.000 0.926 682 K CB -0.521 31.717 32.500 -0.437 0.000 0.714 682 K HN 0.659 nan 8.250 nan 0.000 0.448 683 S N -0.170 115.426 115.700 -0.173 0.000 2.453 683 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 683 S C 1.835 176.347 174.600 -0.147 0.000 1.005 683 S CA 0.805 58.915 58.200 -0.149 0.000 0.949 683 S CB -0.350 62.742 63.200 -0.180 0.000 0.774 683 S HN 0.314 nan 8.310 nan 0.000 0.510 684 L N 0.685 121.808 121.223 -0.167 0.000 2.313 684 L HA 0.144 4.484 4.340 -0.000 0.000 0.214 684 L C 1.534 178.416 176.870 0.019 0.000 1.119 684 L CA 0.786 55.573 54.840 -0.088 0.000 0.809 684 L CB -0.335 41.695 42.059 -0.048 0.000 0.933 684 L HN 0.314 nan 8.230 nan 0.000 0.449 685 E N -0.095 120.127 120.200 0.037 0.000 2.437 685 E HA 0.108 4.458 4.350 -0.000 0.000 0.195 685 E C -0.012 176.612 176.600 0.040 0.000 1.029 685 E CA 0.000 56.448 56.400 0.079 0.000 0.948 685 E CB 0.206 29.996 29.700 0.149 0.000 1.082 685 E HN 0.336 nan 8.360 nan 0.000 0.456 686 Q N 1.050 120.854 119.800 0.008 0.000 2.267 686 Q HA 0.280 4.620 4.340 -0.000 0.000 0.255 686 Q C -2.173 173.831 176.000 0.005 0.000 0.923 686 Q CA -2.235 53.570 55.803 0.004 0.000 0.925 686 Q CB 0.138 28.869 28.738 -0.012 0.000 1.195 686 Q HN -0.064 nan 8.270 nan 0.000 0.417 687 P HA -0.130 nan 4.420 nan 0.000 0.257 687 P C -0.385 176.911 177.300 -0.007 0.000 1.153 687 P CA 0.624 63.723 63.100 -0.001 0.000 0.762 687 P CB 0.385 32.085 31.700 -0.001 0.000 0.743 688 E N 0.000 120.193 120.200 -0.011 0.000 2.725 688 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 688 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 688 E CB 0.000 29.694 29.700 -0.011 0.000 0.812 688 E HN 0.000 nan 8.360 nan 0.000 0.440