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 2wby_1_B DATA FIRST_RESID 44 DATA SEQUENCE NPAIKRIGNH ITKSPEDKRE YRGLELANGI KVLLISDPTT DKSSAALDVH DATA SEQUENCE IGSLSDPPNI AGLSHFLQHM LFLGTKKYPK ENEYSQFLSE HAGSSNAFTS DATA SEQUENCE GEHTNYYFDV SHEHLEGALD RFAQFFLSPL FDESAKDREV NAVDSEHEKN DATA SEQUENCE VMNDAWRLFQ LEKATGNPKH PFSKFGTGNK YTLETRPNQE GIDVRQELLK DATA SEQUENCE FHSAYYSSNL MAVVVLGRES LDDLTNLVVK LFSEVENKNV PLPEFPEHPF DATA SEQUENCE QEEHLKQLYK IVPIKDIRNL YVTFPIPDLQ KYYKSNPGHY LGHLIGHEGP DATA SEQUENCE GSLLSELKSK GWVNTLVGGQ KEGARGFMFF IINVDLTEEG LLHVEDIILH DATA SEQUENCE MFQYIQKLRA EGPQEWVFQE LKDLNAVAFR FKDKERPRGY TSKIAGILHY DATA SEQUENCE YPLEEVLTAE YLLEEFRPDL IEMVLDKLRP ENVRVAIVSK SFEGKTDRTE DATA SEQUENCE EWYGTQYKQE AIPDEVIKKW QNADLNGKFK LPTKNEFIPT NFEILPLEKE DATA SEQUENCE ATPYPALIKD TAMSKLWFKQ DDKFFLPKAN LNFEFFSPFA YVDPLHSNMA DATA SEQUENCE YLYLELLKDS LNEYAYAAEL AGLSYDLQNT IYGMYLSVKG YNDKQPILLK DATA SEQUENCE KIIEKMATFE IDEKRFEIIK EAYMRSLNNF RAEQPHQHAM YYLRLLMTEV DATA SEQUENCE AWTKDELKEA LDDVTLPRLK AFIPQLLSRL HIEALLHGNI TKQAALGIMQ DATA SEQUENCE MVEDTLIEHA HTKPLLPSQL VRYREVQLPD RGWFVYQQRN EVHNNSGIEI DATA SEQUENCE YYQTDMQSTS ENMFLELFAQ IISEPAFNTL RTKEQLGYIV FSGPRRANGI DATA SEQUENCE QGLRFIIQSE KPPHYLESRV EAFLITMEKS IEDMTEEAFQ KHIQALAIRR DATA SEQUENCE LDKPKKLSAE SAKYWGEIIS QQYNFDRDNT EVAYLKTLTK EDIIKFYKEM DATA SEQUENCE LAVDAPRRHK VSVHVLAREM DXXXXXXXXX XXXXXNLSQA PALPQPEVIQ DATA SEQUENCE NMTEFKRGLP LFPLVKPHI 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 44 N HA 0.000 nan 4.740 nan 0.000 0.220 44 N C 0.000 175.518 175.510 0.013 0.000 1.280 44 N CA 0.000 53.057 53.050 0.011 0.000 0.885 44 N CB 0.000 38.493 38.487 0.009 0.000 1.341 45 P HA 0.349 nan 4.420 nan 0.000 0.331 45 P C -0.550 176.758 177.300 0.014 0.000 1.438 45 P CA 0.062 63.169 63.100 0.012 0.000 1.357 45 P CB 0.771 32.477 31.700 0.010 0.000 1.643 46 A N 0.452 123.283 122.820 0.018 0.000 2.238 46 A HA 0.226 4.546 4.320 0.001 0.000 0.208 46 A C 0.934 178.531 177.584 0.023 0.000 1.177 46 A CA 0.239 52.289 52.037 0.023 0.000 0.804 46 A CB -0.486 18.532 19.000 0.030 0.000 0.823 46 A HN 0.177 nan 8.150 nan 0.000 0.482 47 I N 0.013 120.593 120.570 0.018 0.000 2.359 47 I HA 0.142 4.312 4.170 0.001 0.000 0.284 47 I C 1.089 177.213 176.117 0.011 0.000 1.018 47 I CA -0.365 60.944 61.300 0.015 0.000 1.173 47 I CB 1.549 39.557 38.000 0.014 0.000 1.326 47 I HN 0.218 nan 8.210 nan 0.000 0.462 48 K N 5.955 126.360 120.400 0.009 0.000 2.057 48 K HA -0.019 4.301 4.320 0.001 0.000 0.207 48 K C 0.895 177.499 176.600 0.007 0.000 1.049 48 K CA 1.311 57.602 56.287 0.007 0.000 0.931 48 K CB 0.452 32.954 32.500 0.004 0.000 0.714 48 K HN 0.612 nan 8.250 nan 0.000 0.440 49 R N -0.795 119.709 120.500 0.006 0.000 2.728 49 R HA 0.399 4.739 4.340 0.001 0.000 0.274 49 R C -1.715 174.589 176.300 0.007 0.000 1.030 49 R CA -0.719 55.386 56.100 0.008 0.000 0.876 49 R CB 1.020 31.325 30.300 0.009 0.000 1.259 49 R HN 0.025 nan 8.270 nan 0.000 0.468 50 I N 0.413 120.989 120.570 0.010 0.000 2.730 50 I HA 0.393 4.563 4.170 0.001 0.000 0.298 50 I C 0.200 176.325 176.117 0.014 0.000 1.089 50 I CA -1.239 60.066 61.300 0.008 0.000 1.041 50 I CB 2.345 40.347 38.000 0.004 0.000 1.235 50 I HN 0.802 nan 8.210 nan 0.000 0.423 51 G N 2.614 111.422 108.800 0.013 0.000 2.365 51 G HA2 0.147 4.107 3.960 0.001 0.000 0.293 51 G HA3 0.147 4.107 3.960 0.001 0.000 0.293 51 G C 0.283 175.199 174.900 0.025 0.000 1.128 51 G CA -0.292 44.823 45.100 0.025 0.000 0.971 51 G HN 0.855 nan 8.290 nan 0.000 0.422 52 N N 1.138 119.876 118.700 0.063 0.000 2.018 52 N HA -0.119 4.621 4.740 0.001 0.000 0.196 52 N C -0.183 175.350 175.510 0.039 0.000 1.043 52 N CA 1.129 54.243 53.050 0.105 0.000 0.856 52 N CB -0.042 38.623 38.487 0.296 0.000 1.042 52 N HN 0.603 nan 8.380 nan 0.000 0.423 53 H N -0.938 118.146 119.070 0.024 0.000 3.172 53 H HA 0.375 4.931 4.556 0.001 0.000 0.322 53 H C -1.204 174.136 175.328 0.020 0.000 1.003 53 H CA -0.652 55.413 56.048 0.029 0.000 1.466 53 H CB 0.647 30.423 29.762 0.024 0.000 1.673 53 H HN -0.015 nan 8.280 nan 0.000 0.512 54 I N 2.603 123.237 120.570 0.106 0.000 2.436 54 I HA 0.047 4.218 4.170 0.001 0.000 0.289 54 I C 0.421 176.541 176.117 0.004 0.000 1.083 54 I CA 0.374 61.693 61.300 0.032 0.000 1.372 54 I CB 0.634 38.637 38.000 0.005 0.000 1.408 54 I HN 0.561 nan 8.210 nan 0.000 0.516 55 T N 7.540 122.089 114.554 -0.010 0.000 2.799 55 T HA 0.286 4.636 4.350 0.001 0.000 0.296 55 T C 0.084 174.784 174.700 -0.000 0.000 0.947 55 T CA -0.408 61.696 62.100 0.006 0.000 1.141 55 T CB 0.089 68.950 68.868 -0.012 0.000 0.891 55 T HN 0.597 nan 8.240 nan 0.000 0.533 56 K N 0.818 121.242 120.400 0.040 0.000 2.378 56 K HA 0.725 5.045 4.320 0.001 0.000 0.244 56 K C -0.139 176.497 176.600 0.061 0.000 1.039 56 K CA -1.026 55.285 56.287 0.040 0.000 0.863 56 K CB 1.223 33.682 32.500 -0.069 0.000 1.326 56 K HN 0.340 nan 8.250 nan 0.000 0.460 57 S N 0.436 115.996 115.700 -0.233 0.000 2.562 57 S HA 0.131 4.602 4.470 0.001 0.000 0.281 57 S C -1.621 172.844 174.600 -0.225 0.000 1.333 57 S CA -1.079 56.813 58.200 -0.512 0.000 1.052 57 S CB 0.342 62.974 63.200 -0.947 0.000 0.884 57 S HN 0.521 nan 8.310 nan 0.000 0.506 58 P HA -0.077 nan 4.420 nan 0.000 0.218 58 P C 0.888 178.123 177.300 -0.108 0.000 1.148 58 P CA 1.039 64.066 63.100 -0.121 0.000 0.822 58 P CB 0.089 31.702 31.700 -0.146 0.000 0.784 59 E N -0.759 119.346 120.200 -0.159 0.000 2.435 59 E HA -0.049 4.302 4.350 0.001 0.000 0.195 59 E C 0.295 176.868 176.600 -0.045 0.000 1.029 59 E CA 0.508 56.862 56.400 -0.076 0.000 0.865 59 E CB -0.483 29.182 29.700 -0.058 0.000 0.833 59 E HN 0.294 nan 8.360 nan 0.000 0.510 60 D N 1.248 121.609 120.400 -0.066 0.000 2.316 60 D HA 0.049 4.690 4.640 0.001 0.000 0.245 60 D C 0.589 176.914 176.300 0.041 0.000 1.171 60 D CA -0.050 53.944 54.000 -0.010 0.000 0.856 60 D CB 0.733 41.527 40.800 -0.010 0.000 1.090 60 D HN -0.169 nan 8.370 nan 0.000 0.476 61 K N 2.830 123.248 120.400 0.030 0.000 2.393 61 K HA 0.132 4.453 4.320 0.001 0.000 0.193 61 K C 0.706 177.305 176.600 -0.003 0.000 1.026 61 K CA -0.160 56.138 56.287 0.018 0.000 1.064 61 K CB 0.494 32.999 32.500 0.009 0.000 0.833 61 K HN 0.232 nan 8.250 nan 0.000 0.521 62 R N 1.772 122.265 120.500 -0.011 0.000 2.784 62 R HA 0.078 4.418 4.340 0.001 0.000 0.266 62 R C -0.147 176.046 176.300 -0.179 0.000 1.044 62 R CA 0.419 56.438 56.100 -0.136 0.000 1.151 62 R CB 0.364 30.531 30.300 -0.220 0.000 1.037 62 R HN 0.114 nan 8.270 nan 0.000 0.478 63 E N 0.216 120.217 120.200 -0.332 0.000 2.227 63 E HA 0.349 4.700 4.350 0.001 0.000 0.268 63 E C -1.451 174.877 176.600 -0.452 0.000 0.907 63 E CA -0.563 55.695 56.400 -0.236 0.000 0.786 63 E CB 1.524 31.163 29.700 -0.101 0.000 1.191 63 E HN 0.345 nan 8.360 nan 0.000 0.411 64 Y N 0.449 120.749 120.300 -0.000 0.000 2.512 64 Y HA 0.542 5.092 4.550 0.001 0.000 0.348 64 Y C -0.396 175.491 175.900 -0.022 0.000 0.990 64 Y CA -0.996 57.102 58.100 -0.004 0.000 1.033 64 Y CB 2.234 40.700 38.460 0.010 0.000 1.259 64 Y HN 0.353 nan 8.280 nan 0.000 0.461 65 R N 0.919 121.496 120.500 0.129 0.000 2.548 65 R HA 0.721 5.061 4.340 0.001 0.000 0.280 65 R C -1.135 175.193 176.300 0.046 0.000 1.061 65 R CA -0.580 55.555 56.100 0.059 0.000 0.915 65 R CB 1.598 31.907 30.300 0.015 0.000 1.210 65 R HN 0.882 nan 8.270 nan 0.000 0.442 66 G N 3.311 112.129 108.800 0.030 0.000 2.389 66 G HA2 0.618 4.578 3.960 0.001 0.000 0.328 66 G HA3 0.618 4.578 3.960 0.001 0.000 0.328 66 G C -1.564 173.336 174.900 0.001 0.000 1.133 66 G CA -0.380 44.727 45.100 0.011 0.000 0.891 66 G HN 0.290 nan 8.290 nan 0.000 0.485 67 L N 0.273 121.489 121.223 -0.012 0.000 2.409 67 L HA 0.536 4.876 4.340 0.001 0.000 0.262 67 L C -0.264 176.594 176.870 -0.020 0.000 0.992 67 L CA -1.262 53.571 54.840 -0.011 0.000 0.817 67 L CB 2.228 44.280 42.059 -0.011 0.000 1.350 67 L HN 0.705 nan 8.230 nan 0.000 0.411 68 E N 2.315 122.507 120.200 -0.012 0.000 2.165 68 E HA 0.531 4.882 4.350 0.001 0.000 0.266 68 E C -1.129 175.468 176.600 -0.006 0.000 0.889 68 E CA -0.530 55.861 56.400 -0.015 0.000 0.756 68 E CB 1.206 30.900 29.700 -0.011 0.000 1.131 68 E HN 0.508 nan 8.360 nan 0.000 0.411 69 L N 2.957 124.177 121.223 -0.005 0.000 2.466 69 L HA 0.239 4.580 4.340 0.001 0.000 0.257 69 L C 1.653 178.529 176.870 0.010 0.000 1.189 69 L CA -0.052 54.794 54.840 0.010 0.000 0.813 69 L CB 0.775 42.848 42.059 0.023 0.000 1.118 69 L HN 0.783 nan 8.230 nan 0.000 0.471 70 A N 1.761 124.591 122.820 0.016 0.000 1.917 70 A HA -0.233 4.087 4.320 0.001 0.000 0.219 70 A C 1.694 179.285 177.584 0.012 0.000 1.182 70 A CA 2.172 54.217 52.037 0.013 0.000 0.633 70 A CB -0.844 18.165 19.000 0.015 0.000 0.819 70 A HN 0.959 nan 8.150 nan 0.000 0.448 71 N N -1.314 117.397 118.700 0.018 0.000 2.515 71 N HA 0.233 4.973 4.740 0.001 0.000 0.185 71 N C 1.033 176.549 175.510 0.009 0.000 1.109 71 N CA 1.520 54.580 53.050 0.017 0.000 0.903 71 N CB -0.322 38.184 38.487 0.032 0.000 0.969 71 N HN 0.921 nan 8.380 nan 0.000 0.450 72 G N -0.400 108.403 108.800 0.003 0.000 2.201 72 G HA2 -0.219 3.741 3.960 0.001 0.000 0.212 72 G HA3 -0.219 3.741 3.960 0.001 0.000 0.212 72 G C -0.150 174.741 174.900 -0.014 0.000 0.994 72 G CA -0.069 45.028 45.100 -0.005 0.000 0.644 72 G HN 0.342 nan 8.290 nan 0.000 0.508 73 I N 1.851 122.411 120.570 -0.017 0.000 2.587 73 I HA 0.132 4.302 4.170 0.001 0.000 0.284 73 I C 0.750 176.826 176.117 -0.068 0.000 1.134 73 I CA 0.372 61.642 61.300 -0.049 0.000 1.410 73 I CB 0.580 38.547 38.000 -0.056 0.000 1.392 73 I HN 0.023 nan 8.210 nan 0.000 0.545 74 K N 5.769 126.111 120.400 -0.096 0.000 2.297 74 K HA 0.460 4.780 4.320 0.001 0.000 0.286 74 K C -0.885 175.634 176.600 -0.135 0.000 1.053 74 K CA -0.360 55.862 56.287 -0.107 0.000 0.940 74 K CB 1.259 33.682 32.500 -0.127 0.000 1.019 74 K HN 0.327 nan 8.250 nan 0.000 0.475 75 V N 4.535 124.388 119.914 -0.102 0.000 2.604 75 V HA 0.362 4.483 4.120 0.001 0.000 0.305 75 V C -0.552 175.498 176.094 -0.075 0.000 1.043 75 V CA -0.993 61.241 62.300 -0.110 0.000 0.888 75 V CB 1.849 33.616 31.823 -0.093 0.000 0.995 75 V HN 0.653 nan 8.190 nan 0.000 0.429 76 L N 5.429 126.606 121.223 -0.077 0.000 2.313 76 L HA 0.632 4.972 4.340 0.001 0.000 0.283 76 L C -1.166 175.692 176.870 -0.019 0.000 1.013 76 L CA -0.535 54.289 54.840 -0.026 0.000 0.816 76 L CB 1.645 43.688 42.059 -0.027 0.000 1.236 76 L HN 0.579 nan 8.230 nan 0.000 0.419 77 L N 5.641 126.869 121.223 0.008 0.000 2.322 77 L HA 0.552 4.893 4.340 0.001 0.000 0.279 77 L C -0.494 176.361 176.870 -0.025 0.000 1.036 77 L CA -0.405 54.427 54.840 -0.014 0.000 0.807 77 L CB 1.877 43.926 42.059 -0.017 0.000 1.226 77 L HN 0.454 nan 8.230 nan 0.000 0.433 78 I N 1.580 122.098 120.570 -0.087 0.000 2.439 78 I HA 0.220 4.391 4.170 0.001 0.000 0.283 78 I C -0.190 175.811 176.117 -0.195 0.000 1.023 78 I CA -0.179 60.982 61.300 -0.230 0.000 1.100 78 I CB 1.854 39.769 38.000 -0.141 0.000 1.238 78 I HN 0.516 nan 8.210 nan 0.000 0.445 79 S N 4.525 120.079 115.700 -0.243 0.000 2.411 79 S HA 0.234 4.704 4.470 0.001 0.000 0.294 79 S C -0.608 173.892 174.600 -0.167 0.000 1.115 79 S CA -0.351 57.754 58.200 -0.159 0.000 1.071 79 S CB 0.241 63.370 63.200 -0.119 0.000 0.967 79 S HN 0.551 nan 8.310 nan 0.000 0.488 80 D N 5.793 126.123 120.400 -0.117 0.000 2.438 80 D HA 0.400 5.040 4.640 0.001 0.000 0.257 80 D C -2.043 174.204 176.300 -0.089 0.000 1.148 80 D CA -2.176 51.766 54.000 -0.098 0.000 0.902 80 D CB 1.711 42.465 40.800 -0.077 0.000 1.062 80 D HN 0.216 nan 8.370 nan 0.000 0.518 81 P HA -0.056 nan 4.420 nan 0.000 0.228 81 P C 1.177 178.405 177.300 -0.119 0.000 1.151 81 P CA 0.966 64.008 63.100 -0.096 0.000 0.770 81 P CB 0.185 31.841 31.700 -0.073 0.000 0.786 82 T N -6.238 108.259 114.554 -0.095 0.000 3.081 82 T HA 0.053 4.403 4.350 0.001 0.000 0.250 82 T C 0.902 175.544 174.700 -0.098 0.000 1.100 82 T CA 0.028 62.075 62.100 -0.088 0.000 1.038 82 T CB -1.042 67.798 68.868 -0.046 0.000 0.962 82 T HN -0.052 nan 8.240 nan 0.000 0.516 83 T N 1.638 116.132 114.554 -0.100 0.000 2.916 83 T HA 0.075 4.425 4.350 0.001 0.000 0.303 83 T C 0.709 175.391 174.700 -0.031 0.000 1.025 83 T CA -0.194 61.878 62.100 -0.048 0.000 1.142 83 T CB 0.336 69.195 68.868 -0.016 0.000 0.947 83 T HN 0.190 nan 8.240 nan 0.000 0.544 84 D N 3.394 123.830 120.400 0.060 0.000 2.213 84 D HA 0.081 4.721 4.640 0.001 0.000 0.205 84 D C 0.384 176.828 176.300 0.239 0.000 0.961 84 D CA 1.054 55.162 54.000 0.180 0.000 0.853 84 D CB 0.401 41.276 40.800 0.125 0.000 0.967 84 D HN 0.501 nan 8.370 nan 0.000 0.496 85 K N 0.552 121.044 120.400 0.153 0.000 2.292 85 K HA 0.413 4.733 4.320 0.001 0.000 0.257 85 K C -0.449 176.231 176.600 0.132 0.000 0.940 85 K CA -0.393 55.981 56.287 0.146 0.000 0.811 85 K CB 2.632 35.196 32.500 0.106 0.000 1.120 85 K HN -0.195 nan 8.250 nan 0.000 0.428 86 S N 0.424 116.219 115.700 0.158 0.000 2.713 86 S HA 0.520 4.990 4.470 0.001 0.000 0.277 86 S C -0.599 174.025 174.600 0.040 0.000 1.168 86 S CA -0.617 57.648 58.200 0.109 0.000 0.994 86 S CB 1.495 64.787 63.200 0.153 0.000 1.054 86 S HN 0.547 nan 8.310 nan 0.000 0.555 87 S N -0.762 114.874 115.700 -0.107 0.000 2.558 87 S HA 0.652 5.123 4.470 0.001 0.000 0.277 87 S C -1.718 172.523 174.600 -0.599 0.000 1.143 87 S CA -0.323 57.623 58.200 -0.424 0.000 0.865 87 S CB 0.933 64.008 63.200 -0.209 0.000 1.102 87 S HN 1.060 nan 8.310 nan 0.000 0.454 88 A N 1.937 124.022 122.820 -1.224 0.000 2.515 88 A HA 1.028 5.348 4.320 0.001 0.000 0.296 88 A C -0.663 176.556 177.584 -0.607 0.000 1.094 88 A CA -0.236 51.361 52.037 -0.733 0.000 0.718 88 A CB 1.540 20.239 19.000 -0.502 0.000 1.307 88 A HN 1.803 nan 8.150 nan 0.000 0.408 89 A N 0.350 123.041 122.820 -0.215 0.000 2.475 89 A HA 0.767 5.087 4.320 0.001 0.000 0.301 89 A C -1.456 176.240 177.584 0.186 0.000 1.059 89 A CA -0.367 51.723 52.037 0.089 0.000 0.710 89 A CB 1.307 20.384 19.000 0.128 0.000 1.288 89 A HN 1.699 nan 8.150 nan 0.000 0.408 90 L N 1.728 123.211 121.223 0.434 0.000 2.381 90 L HA 0.582 4.923 4.340 0.001 0.000 0.274 90 L C -1.419 175.586 176.870 0.224 0.000 0.988 90 L CA -0.465 54.469 54.840 0.157 0.000 0.824 90 L CB 1.659 43.635 42.059 -0.138 0.000 1.263 90 L HN 0.777 nan 8.230 nan 0.000 0.410 91 D N 4.308 124.782 120.400 0.123 0.000 2.344 91 D HA 0.337 4.978 4.640 0.001 0.000 0.239 91 D C -1.135 175.305 176.300 0.234 0.000 1.064 91 D CA -0.262 53.864 54.000 0.211 0.000 0.829 91 D CB 2.295 43.242 40.800 0.245 0.000 1.129 91 D HN 0.273 nan 8.370 nan 0.000 0.506 92 V N 4.134 124.121 119.914 0.121 0.000 2.407 92 V HA 0.130 4.251 4.120 0.001 0.000 0.278 92 V C 0.871 176.912 176.094 -0.089 0.000 1.037 92 V CA -0.630 61.637 62.300 -0.055 0.000 0.900 92 V CB 1.233 32.860 31.823 -0.326 0.000 0.983 92 V HN 0.603 nan 8.190 nan 0.000 0.459 93 H N 3.703 122.555 119.070 -0.364 0.000 2.989 93 H HA 0.448 5.004 4.556 0.001 0.000 0.284 93 H C -0.418 174.660 175.328 -0.416 0.000 1.440 93 H CA -0.264 55.394 56.048 -0.650 0.000 1.209 93 H CB -0.006 29.213 29.762 -0.905 0.000 1.453 93 H HN 0.519 nan 8.280 nan 0.000 0.550 94 I N 0.113 120.627 120.570 -0.094 0.000 2.730 94 I HA 0.530 4.700 4.170 0.001 0.000 0.298 94 I C 0.239 176.406 176.117 0.083 0.000 1.089 94 I CA -0.213 61.067 61.300 -0.033 0.000 1.041 94 I CB 2.136 40.104 38.000 -0.053 0.000 1.235 94 I HN 0.344 nan 8.210 nan 0.000 0.423 95 G N 1.699 110.568 108.800 0.115 0.000 2.772 95 G HA2 0.297 4.258 3.960 0.001 0.000 0.284 95 G HA3 0.297 4.258 3.960 0.001 0.000 0.284 95 G C 0.097 175.086 174.900 0.147 0.000 1.217 95 G CA 0.274 45.469 45.100 0.160 0.000 0.831 95 G HN 0.608 nan 8.290 nan 0.000 0.523 96 S N -0.548 115.220 115.700 0.114 0.000 2.481 96 S HA 0.023 4.493 4.470 0.001 0.000 0.231 96 S C 2.017 176.663 174.600 0.077 0.000 0.996 96 S CA 0.613 58.851 58.200 0.064 0.000 0.942 96 S CB -0.042 63.170 63.200 0.021 0.000 0.768 96 S HN 0.239 nan 8.310 nan 0.000 0.520 97 L N 2.024 123.307 121.223 0.099 0.000 2.450 97 L HA 0.185 4.525 4.340 0.001 0.000 0.224 97 L C 1.819 178.797 176.870 0.180 0.000 1.149 97 L CA 0.934 55.833 54.840 0.098 0.000 0.816 97 L CB -1.241 40.827 42.059 0.015 0.000 0.932 97 L HN 0.340 nan 8.230 nan 0.000 0.449 98 S N -1.639 114.158 115.700 0.161 0.000 2.554 98 S HA 0.099 4.570 4.470 0.001 0.000 0.226 98 S C 0.258 175.004 174.600 0.243 0.000 0.980 98 S CA -0.598 57.684 58.200 0.137 0.000 0.939 98 S CB 0.068 63.187 63.200 -0.136 0.000 0.832 98 S HN 0.310 nan 8.310 nan 0.000 0.486 99 D N 3.850 124.361 120.400 0.185 0.000 2.506 99 D HA 0.119 4.759 4.640 0.001 0.000 0.234 99 D C -2.479 173.933 176.300 0.187 0.000 1.143 99 D CA -1.015 53.073 54.000 0.147 0.000 0.871 99 D CB 0.223 41.028 40.800 0.008 0.000 1.190 99 D HN 0.090 nan 8.370 nan 0.000 0.459 100 P HA 0.040 nan 4.420 nan 0.000 0.265 100 P C -1.930 175.439 177.300 0.115 0.000 1.193 100 P CA -0.911 62.287 63.100 0.164 0.000 0.765 100 P CB 0.218 32.006 31.700 0.147 0.000 0.823 101 P HA -0.197 nan 4.420 nan 0.000 0.216 101 P C 0.632 178.002 177.300 0.116 0.000 1.150 101 P CA 1.697 64.868 63.100 0.117 0.000 0.843 101 P CB -0.385 31.383 31.700 0.114 0.000 0.787 102 N N -1.251 117.507 118.700 0.097 0.000 2.268 102 N HA 0.147 4.887 4.740 0.001 0.000 0.204 102 N C 0.003 175.546 175.510 0.055 0.000 1.124 102 N CA -0.056 53.046 53.050 0.086 0.000 0.838 102 N CB -0.203 38.326 38.487 0.069 0.000 0.994 102 N HN 0.084 nan 8.380 nan 0.000 0.489 103 I N 0.708 121.303 120.570 0.042 0.000 2.871 103 I HA 0.311 4.481 4.170 0.001 0.000 0.284 103 I C -0.320 175.767 176.117 -0.050 0.000 1.390 103 I CA -0.943 60.353 61.300 -0.006 0.000 0.958 103 I CB 1.074 39.070 38.000 -0.007 0.000 1.618 103 I HN 0.063 nan 8.210 nan 0.000 0.595 104 A N 2.340 125.123 122.820 -0.061 0.000 2.520 104 A HA 0.510 4.830 4.320 0.001 0.000 0.245 104 A C 1.377 178.777 177.584 -0.306 0.000 1.072 104 A CA 1.079 53.013 52.037 -0.171 0.000 0.761 104 A CB -0.091 18.799 19.000 -0.184 0.000 1.004 104 A HN 1.190 nan 8.150 nan 0.000 0.499 105 G N 1.093 109.699 108.800 -0.323 0.000 2.184 105 G HA2 -0.176 3.784 3.960 0.001 0.000 0.206 105 G HA3 -0.176 3.784 3.960 0.001 0.000 0.206 105 G C 0.742 175.541 174.900 -0.167 0.000 0.995 105 G CA 0.491 45.404 45.100 -0.311 0.000 0.651 105 G HN 1.205 nan 8.290 nan 0.000 0.511 106 L N 2.362 123.476 121.223 -0.182 0.000 2.012 106 L HA 0.030 4.370 4.340 0.001 0.000 0.210 106 L C 3.062 179.738 176.870 -0.323 0.000 1.073 106 L CA 3.482 58.196 54.840 -0.210 0.000 0.748 106 L CB -0.702 41.193 42.059 -0.273 0.000 0.891 106 L HN 0.769 nan 8.230 nan 0.000 0.431 107 S N -2.186 113.244 115.700 -0.450 0.000 2.399 107 S HA -0.287 4.184 4.470 0.001 0.000 0.231 107 S C 2.141 176.765 174.600 0.039 0.000 1.022 107 S CA 1.254 59.236 58.200 -0.363 0.000 0.983 107 S CB -1.089 61.966 63.200 -0.242 0.000 0.803 107 S HN 0.731 nan 8.310 nan 0.000 0.480 108 H N -0.337 118.717 119.070 -0.025 0.000 2.321 108 H HA -0.121 4.435 4.556 0.001 0.000 0.300 108 H C 2.041 177.496 175.328 0.213 0.000 1.087 108 H CA 1.600 57.701 56.048 0.089 0.000 1.319 108 H CB -0.303 29.448 29.762 -0.019 0.000 1.379 108 H HN 0.448 nan 8.280 nan 0.000 0.501 109 F N 1.701 121.540 119.950 -0.185 0.000 2.095 109 F HA -0.234 4.293 4.527 0.001 0.000 0.298 109 F C 2.599 178.382 175.800 -0.027 0.000 1.104 109 F CA 1.471 59.327 58.000 -0.239 0.000 1.232 109 F CB -1.112 37.744 39.000 -0.240 0.000 0.987 109 F HN 0.234 nan 8.300 nan 0.000 0.475 110 L N 0.196 121.410 121.223 -0.014 0.000 2.013 110 L HA -0.287 4.053 4.340 0.001 0.000 0.212 110 L C 2.667 179.665 176.870 0.213 0.000 1.073 110 L CA 2.030 56.880 54.840 0.017 0.000 0.753 110 L CB -0.761 41.281 42.059 -0.030 0.000 0.890 110 L HN 0.279 nan 8.230 nan 0.000 0.432 111 Q N -0.464 119.539 119.800 0.339 0.000 2.112 111 Q HA -0.295 4.045 4.340 0.001 0.000 0.206 111 Q C 1.994 178.298 176.000 0.506 0.000 0.987 111 Q CA 2.263 58.354 55.803 0.480 0.000 0.858 111 Q CB -0.394 28.572 28.738 0.381 0.000 0.905 111 Q HN 0.726 nan 8.270 nan 0.000 0.420 112 H N -1.077 118.142 119.070 0.250 0.000 2.357 112 H HA -0.046 4.510 4.556 0.001 0.000 0.301 112 H C 2.063 177.509 175.328 0.197 0.000 1.082 112 H CA 1.173 57.371 56.048 0.251 0.000 1.342 112 H CB 0.237 30.099 29.762 0.167 0.000 1.389 112 H HN 0.281 nan 8.280 nan 0.000 0.511 113 M N 0.589 120.273 119.600 0.139 0.000 2.394 113 M HA -0.068 4.412 4.480 0.001 0.000 0.264 113 M C 2.268 178.393 176.300 -0.293 0.000 1.073 113 M CA 0.667 55.931 55.300 -0.060 0.000 1.111 113 M CB -0.620 31.939 32.600 -0.068 0.000 1.401 113 M HN 0.260 nan 8.290 nan 0.000 0.448 114 L N -1.289 119.717 121.223 -0.363 0.000 2.353 114 L HA -0.173 4.168 4.340 0.001 0.000 0.220 114 L C 1.710 177.655 176.870 -1.541 0.000 1.133 114 L CA 1.030 55.275 54.840 -0.993 0.000 0.798 114 L CB -0.672 40.743 42.059 -1.072 0.000 0.922 114 L HN 0.163 nan 8.230 nan 0.000 0.445 115 F N -0.662 118.797 119.950 -0.818 0.000 2.789 115 F HA 0.048 4.575 4.527 0.001 0.000 0.300 115 F C 1.560 177.157 175.800 -0.339 0.000 1.132 115 F CA 0.474 58.090 58.000 -0.641 0.000 1.404 115 F CB 0.170 39.099 39.000 -0.120 0.000 1.114 115 F HN -0.042 nan 8.300 nan 0.000 0.584 116 L N -0.274 120.822 121.223 -0.212 0.000 3.017 116 L HA 0.504 4.844 4.340 0.001 0.000 0.255 116 L C 0.375 177.162 176.870 -0.138 0.000 1.247 116 L CA -0.195 54.598 54.840 -0.078 0.000 1.038 116 L CB -0.301 41.740 42.059 -0.031 0.000 1.380 116 L HN 0.118 nan 8.230 nan 0.000 0.548 117 G N 0.195 108.870 108.800 -0.208 0.000 2.402 117 G HA2 0.110 4.070 3.960 0.001 0.000 0.666 117 G HA3 0.110 4.070 3.960 0.001 0.000 0.666 117 G C -0.583 174.180 174.900 -0.227 0.000 1.402 117 G CA -0.335 44.687 45.100 -0.130 0.000 0.920 117 G HN 0.078 nan 8.290 nan 0.000 0.651 118 T N -1.493 112.989 114.554 -0.120 0.000 2.742 118 T HA 0.744 5.095 4.350 0.001 0.000 0.282 118 T C 1.145 175.776 174.700 -0.115 0.000 1.025 118 T CA -0.052 61.954 62.100 -0.158 0.000 1.020 118 T CB 1.955 70.766 68.868 -0.095 0.000 1.317 118 T HN 0.543 nan 8.240 nan 0.000 0.538 119 K N 0.450 120.771 120.400 -0.131 0.000 2.002 119 K HA 0.101 4.422 4.320 0.001 0.000 0.209 119 K C 2.229 178.733 176.600 -0.159 0.000 1.048 119 K CA 1.585 57.797 56.287 -0.125 0.000 0.930 119 K CB -0.403 32.029 32.500 -0.114 0.000 0.714 119 K HN 0.658 nan 8.250 nan 0.000 0.438 120 K N -1.205 119.066 120.400 -0.215 0.000 2.148 120 K HA -0.082 4.239 4.320 0.001 0.000 0.204 120 K C -0.232 175.970 176.600 -0.663 0.000 1.050 120 K CA 1.110 57.132 56.287 -0.443 0.000 0.942 120 K CB 0.166 32.362 32.500 -0.506 0.000 0.724 120 K HN 0.113 nan 8.250 nan 0.000 0.446 121 Y N 0.247 120.509 120.300 -0.064 0.000 2.748 121 Y HA 0.246 4.797 4.550 0.001 0.000 0.359 121 Y C -1.997 173.879 175.900 -0.040 0.000 1.030 121 Y CA -2.145 55.932 58.100 -0.039 0.000 1.169 121 Y CB 1.563 40.008 38.460 -0.025 0.000 1.127 121 Y HN 0.099 nan 8.280 nan 0.000 0.644 122 P HA -0.154 nan 4.420 nan 0.000 0.225 122 P C 0.300 177.623 177.300 0.038 0.000 1.156 122 P CA 0.668 63.773 63.100 0.008 0.000 0.787 122 P CB 0.458 32.144 31.700 -0.024 0.000 0.802 123 K N 1.746 122.192 120.400 0.077 0.000 2.453 123 K HA -0.106 4.214 4.320 0.001 0.000 0.280 123 K C 1.260 177.913 176.600 0.090 0.000 1.045 123 K CA 0.262 56.598 56.287 0.082 0.000 1.059 123 K CB 0.207 32.770 32.500 0.104 0.000 0.901 123 K HN -0.013 nan 8.250 nan 0.000 0.475 124 E N 3.485 123.726 120.200 0.070 0.000 2.209 124 E HA -0.243 4.107 4.350 0.001 0.000 0.196 124 E C 0.476 177.145 176.600 0.116 0.000 0.993 124 E CA 1.832 58.272 56.400 0.067 0.000 0.819 124 E CB 0.061 29.794 29.700 0.055 0.000 0.745 124 E HN 0.806 nan 8.360 nan 0.000 0.477 125 N N -0.891 117.892 118.700 0.138 0.000 2.351 125 N HA 0.013 4.753 4.740 0.001 0.000 0.254 125 N C 1.018 176.641 175.510 0.187 0.000 1.241 125 N CA -0.100 53.059 53.050 0.182 0.000 0.883 125 N CB 0.543 39.132 38.487 0.169 0.000 1.202 125 N HN -0.078 nan 8.380 nan 0.000 0.512 126 E N 1.110 121.419 120.200 0.181 0.000 2.110 126 E HA -0.268 4.083 4.350 0.001 0.000 0.193 126 E C 1.270 177.971 176.600 0.169 0.000 0.988 126 E CA 1.433 57.930 56.400 0.163 0.000 0.804 126 E CB -0.336 29.463 29.700 0.164 0.000 0.745 126 E HN 0.652 nan 8.360 nan 0.000 0.458 127 Y N 0.678 121.027 120.300 0.081 0.000 2.109 127 Y HA -0.202 4.348 4.550 0.001 0.000 0.285 127 Y C 2.519 178.513 175.900 0.157 0.000 1.131 127 Y CA 2.568 60.717 58.100 0.081 0.000 1.121 127 Y CB -0.455 38.147 38.460 0.236 0.000 0.987 127 Y HN 0.214 nan 8.280 nan 0.000 0.495 128 S N -0.411 115.408 115.700 0.199 0.000 2.461 128 S HA -0.185 4.285 4.470 0.001 0.000 0.228 128 S C 1.936 176.546 174.600 0.016 0.000 1.005 128 S CA 0.963 59.186 58.200 0.038 0.000 0.942 128 S CB -0.479 62.801 63.200 0.132 0.000 0.776 128 S HN 0.707 nan 8.310 nan 0.000 0.514 129 Q N 0.125 119.973 119.800 0.079 0.000 2.079 129 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 129 Q C 1.851 177.867 176.000 0.026 0.000 0.974 129 Q CA 1.317 57.154 55.803 0.057 0.000 0.840 129 Q CB -0.300 28.491 28.738 0.089 0.000 0.898 129 Q HN 0.616 nan 8.270 nan 0.000 0.430 130 F N 1.025 120.925 119.950 -0.084 0.000 2.065 130 F HA -0.269 4.258 4.527 0.001 0.000 0.298 130 F C 1.814 177.563 175.800 -0.085 0.000 1.112 130 F CA 1.672 59.623 58.000 -0.082 0.000 1.212 130 F CB -0.192 38.698 39.000 -0.184 0.000 0.975 130 F HN 0.064 nan 8.300 nan 0.000 0.476 131 L N -1.007 120.199 121.223 -0.028 0.000 2.083 131 L HA -0.244 4.096 4.340 0.001 0.000 0.209 131 L C 2.704 179.490 176.870 -0.140 0.000 1.083 131 L CA 1.410 56.182 54.840 -0.112 0.000 0.752 131 L CB -1.070 40.877 42.059 -0.187 0.000 0.899 131 L HN 0.170 nan 8.230 nan 0.000 0.433 132 S N -0.090 115.532 115.700 -0.130 0.000 2.359 132 S HA -0.228 4.242 4.470 0.001 0.000 0.224 132 S C 1.739 176.208 174.600 -0.218 0.000 1.035 132 S CA 1.550 59.677 58.200 -0.121 0.000 1.018 132 S CB -0.144 63.021 63.200 -0.059 0.000 0.876 132 S HN 0.452 nan 8.310 nan 0.000 0.448 133 E N -0.936 119.039 120.200 -0.375 0.000 2.516 133 E HA -0.040 4.311 4.350 0.001 0.000 0.199 133 E C 0.141 176.112 176.600 -1.049 0.000 1.069 133 E CA 0.466 56.436 56.400 -0.718 0.000 0.876 133 E CB 0.085 29.302 29.700 -0.806 0.000 0.843 133 E HN 0.638 nan 8.360 nan 0.000 0.530 134 H N -1.286 117.481 119.070 -0.505 0.000 2.777 134 H HA 0.390 4.946 4.556 0.001 0.000 0.244 134 H C 0.047 175.212 175.328 -0.271 0.000 1.185 134 H CA 0.323 56.063 56.048 -0.513 0.000 0.945 134 H CB 1.254 30.524 29.762 -0.820 0.000 1.994 134 H HN 0.119 nan 8.280 nan 0.000 0.638 135 A N 0.159 122.882 122.820 -0.162 0.000 2.860 135 A HA -0.133 4.187 4.320 0.001 0.000 0.267 135 A C 1.092 178.669 177.584 -0.011 0.000 1.421 135 A CA 0.871 52.863 52.037 -0.076 0.000 0.831 135 A CB -1.792 17.176 19.000 -0.053 0.000 1.041 135 A HN 0.620 nan 8.150 nan 0.000 0.623 136 G N -1.502 107.292 108.800 -0.010 0.000 2.601 136 G HA2 0.912 4.873 3.960 0.001 0.000 0.317 136 G HA3 0.912 4.873 3.960 0.001 0.000 0.317 136 G C -0.146 174.778 174.900 0.039 0.000 1.246 136 G CA 0.360 45.496 45.100 0.059 0.000 1.012 136 G HN 2.014 nan 8.290 nan 0.000 0.494 137 S N -1.948 113.813 115.700 0.102 0.000 2.570 137 S HA 0.801 5.271 4.470 0.001 0.000 0.270 137 S C -0.921 173.792 174.600 0.188 0.000 1.149 137 S CA -0.519 57.731 58.200 0.083 0.000 0.837 137 S CB 1.857 65.101 63.200 0.075 0.000 1.124 137 S HN 1.120 nan 8.310 nan 0.000 0.465 138 S N 0.780 116.582 115.700 0.170 0.000 2.579 138 S HA 0.846 5.316 4.470 0.001 0.000 0.272 138 S C -1.499 173.179 174.600 0.129 0.000 1.141 138 S CA -0.502 57.880 58.200 0.304 0.000 0.843 138 S CB 1.591 65.155 63.200 0.606 0.000 1.122 138 S HN 0.900 nan 8.310 nan 0.000 0.468 139 N N -0.042 118.622 118.700 -0.060 0.000 3.261 139 N HA 0.813 5.553 4.740 0.001 0.000 0.248 139 N C -1.929 173.333 175.510 -0.414 0.000 1.498 139 N CA 0.178 53.076 53.050 -0.255 0.000 0.884 139 N CB 1.619 39.998 38.487 -0.179 0.000 1.428 139 N HN 0.973 nan 8.380 nan 0.000 0.517 140 A N -0.130 122.637 122.820 -0.089 0.000 2.610 140 A HA 0.731 5.051 4.320 0.001 0.000 0.291 140 A C -1.935 175.817 177.584 0.280 0.000 1.086 140 A CA -0.607 51.465 52.037 0.059 0.000 0.677 140 A CB 0.710 19.728 19.000 0.030 0.000 1.278 140 A HN 0.666 nan 8.150 nan 0.000 0.414 141 F N -1.190 118.842 119.950 0.136 0.000 2.613 141 F HA 0.864 5.391 4.527 0.001 0.000 0.310 141 F C -0.559 175.314 175.800 0.121 0.000 1.085 141 F CA -0.680 57.412 58.000 0.154 0.000 0.945 141 F CB 1.734 40.851 39.000 0.194 0.000 1.298 141 F HN 0.375 nan 8.300 nan 0.000 0.455 142 T N 2.108 116.820 114.554 0.263 0.000 2.786 142 T HA 0.586 4.937 4.350 0.001 0.000 0.283 142 T C -0.300 174.562 174.700 0.270 0.000 0.992 142 T CA -0.545 61.660 62.100 0.174 0.000 0.954 142 T CB 1.194 70.176 68.868 0.190 0.000 0.934 142 T HN 0.912 nan 8.240 nan 0.000 0.440 143 S N 2.093 117.962 115.700 0.282 0.000 2.721 143 S HA 0.721 5.192 4.470 0.001 0.000 0.296 143 S C 1.739 176.474 174.600 0.225 0.000 1.093 143 S CA -0.237 58.140 58.200 0.294 0.000 0.959 143 S CB 0.612 64.040 63.200 0.380 0.000 1.301 143 S HN 0.634 nan 8.310 nan 0.000 0.550 144 G N -0.306 108.631 108.800 0.227 0.000 2.403 144 G HA2 0.040 4.001 3.960 0.001 0.000 0.216 144 G HA3 0.040 4.001 3.960 0.001 0.000 0.216 144 G C 0.784 175.779 174.900 0.157 0.000 1.154 144 G CA 0.416 45.619 45.100 0.172 0.000 0.784 144 G HN 0.776 nan 8.290 nan 0.000 0.538 145 E N -0.666 119.644 120.200 0.182 0.000 2.630 145 E HA 0.182 4.532 4.350 0.001 0.000 0.218 145 E C -0.528 175.954 176.600 -0.198 0.000 0.977 145 E CA -0.231 56.226 56.400 0.096 0.000 1.038 145 E CB 0.644 30.458 29.700 0.190 0.000 1.051 145 E HN 0.368 nan 8.360 nan 0.000 0.487 146 H N -0.154 118.975 119.070 0.098 0.000 2.894 146 H HA 0.318 4.875 4.556 0.001 0.000 0.367 146 H C -0.840 174.466 175.328 -0.038 0.000 1.144 146 H CA -0.424 55.617 56.048 -0.012 0.000 1.180 146 H CB 2.352 32.085 29.762 -0.049 0.000 1.758 146 H HN -0.130 nan 8.280 nan 0.000 0.541 147 T N 2.838 117.428 114.554 0.060 0.000 2.809 147 T HA 0.183 4.533 4.350 0.001 0.000 0.284 147 T C -0.016 174.628 174.700 -0.093 0.000 0.992 147 T CA -0.857 61.225 62.100 -0.029 0.000 0.957 147 T CB 1.030 70.029 68.868 0.217 0.000 0.942 147 T HN 0.424 nan 8.240 nan 0.000 0.439 148 N N 2.896 121.334 118.700 -0.436 0.000 2.407 148 N HA 0.347 5.087 4.740 0.001 0.000 0.277 148 N C -1.693 173.806 175.510 -0.018 0.000 0.995 148 N CA -0.362 52.563 53.050 -0.209 0.000 0.903 148 N CB 1.159 39.295 38.487 -0.584 0.000 1.218 148 N HN 0.467 nan 8.380 nan 0.000 0.487 149 Y N 2.806 123.361 120.300 0.424 0.000 2.429 149 Y HA 0.471 5.021 4.550 0.001 0.000 0.342 149 Y C -0.406 175.910 175.900 0.694 0.000 1.004 149 Y CA -0.763 57.673 58.100 0.561 0.000 1.075 149 Y CB 1.375 40.241 38.460 0.678 0.000 1.214 149 Y HN 0.386 nan 8.280 nan 0.000 0.455 150 Y N 0.924 121.639 120.300 0.691 0.000 2.558 150 Y HA 0.763 5.313 4.550 0.001 0.000 0.333 150 Y C -1.744 174.396 175.900 0.400 0.000 1.125 150 Y CA -2.431 55.879 58.100 0.350 0.000 1.039 150 Y CB 1.256 39.852 38.460 0.227 0.000 1.331 150 Y HN 0.494 nan 8.280 nan 0.000 0.456 151 F N 0.266 120.364 119.950 0.246 0.000 2.645 151 F HA 0.867 5.395 4.527 0.001 0.000 0.310 151 F C -1.806 174.065 175.800 0.118 0.000 1.102 151 F CA -1.037 57.070 58.000 0.179 0.000 0.952 151 F CB 1.853 40.908 39.000 0.092 0.000 1.326 151 F HN 0.616 nan 8.300 nan 0.000 0.456 152 D N 0.750 121.362 120.400 0.352 0.000 2.493 152 D HA 0.766 5.407 4.640 0.001 0.000 0.239 152 D C -1.538 175.014 176.300 0.420 0.000 1.049 152 D CA -1.053 53.112 54.000 0.276 0.000 1.008 152 D CB 2.057 42.934 40.800 0.127 0.000 1.398 152 D HN 0.857 nan 8.370 nan 0.000 0.513 153 V N -0.791 119.309 119.914 0.310 0.000 3.167 153 V HA 0.441 4.561 4.120 0.001 0.000 0.293 153 V C -0.733 175.468 176.094 0.177 0.000 1.379 153 V CA -0.652 61.790 62.300 0.236 0.000 1.019 153 V CB 1.919 33.913 31.823 0.285 0.000 1.115 153 V HN 0.910 nan 8.190 nan 0.000 0.442 154 S N 2.560 118.332 115.700 0.120 0.000 2.715 154 S HA -0.087 4.383 4.470 0.001 0.000 0.318 154 S C 1.254 175.896 174.600 0.069 0.000 1.242 154 S CA 1.124 59.373 58.200 0.081 0.000 1.044 154 S CB -0.022 63.232 63.200 0.090 0.000 0.760 154 S HN 1.504 nan 8.310 nan 0.000 0.501 155 H N 2.700 121.836 119.070 0.110 0.000 2.543 155 H HA 0.037 4.593 4.556 0.001 0.000 0.286 155 H C 1.168 176.522 175.328 0.044 0.000 1.037 155 H CA 1.679 57.774 56.048 0.077 0.000 1.250 155 H CB -0.165 29.624 29.762 0.044 0.000 1.373 155 H HN 0.814 nan 8.280 nan 0.000 0.580 156 E N 0.321 120.274 120.200 -0.411 0.000 2.489 156 E HA -0.022 4.328 4.350 0.001 0.000 0.193 156 E C 0.268 176.579 176.600 -0.482 0.000 1.057 156 E CA 0.158 56.336 56.400 -0.369 0.000 0.866 156 E CB 0.161 29.566 29.700 -0.492 0.000 0.916 156 E HN 0.798 nan 8.360 nan 0.000 0.500 157 H N 0.321 119.376 119.070 -0.026 0.000 2.649 157 H HA 0.186 4.742 4.556 0.001 0.000 0.258 157 H C 1.654 177.033 175.328 0.085 0.000 1.165 157 H CA -0.245 55.804 56.048 0.002 0.000 1.006 157 H CB 0.724 30.408 29.762 -0.131 0.000 1.743 157 H HN 0.116 nan 8.280 nan 0.000 0.609 158 L N 0.849 122.172 121.223 0.166 0.000 1.978 158 L HA -0.278 4.063 4.340 0.001 0.000 0.218 158 L C 2.446 179.408 176.870 0.154 0.000 1.075 158 L CA 2.082 57.042 54.840 0.200 0.000 0.767 158 L CB -0.093 42.062 42.059 0.159 0.000 0.890 158 L HN 0.362 nan 8.230 nan 0.000 0.434 159 E N -0.843 119.412 120.200 0.092 0.000 2.085 159 E HA -0.203 4.147 4.350 0.001 0.000 0.194 159 E C 1.968 178.554 176.600 -0.023 0.000 0.994 159 E CA 1.324 57.755 56.400 0.052 0.000 0.801 159 E CB -0.246 29.476 29.700 0.036 0.000 0.743 159 E HN 0.596 nan 8.360 nan 0.000 0.453 160 G N 0.336 109.109 108.800 -0.045 0.000 2.402 160 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 160 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 160 G C 1.632 176.145 174.900 -0.645 0.000 1.162 160 G CA 0.795 45.711 45.100 -0.308 0.000 0.777 160 G HN 0.414 nan 8.290 nan 0.000 0.539 161 A N 0.253 122.842 122.820 -0.385 0.000 1.898 161 A HA 0.135 4.455 4.320 0.001 0.000 0.216 161 A C 2.314 179.598 177.584 -0.500 0.000 1.181 161 A CA 1.550 53.247 52.037 -0.566 0.000 0.620 161 A CB -0.359 18.323 19.000 -0.531 0.000 0.819 161 A HN 0.408 nan 8.150 nan 0.000 0.442 162 L N -0.082 121.054 121.223 -0.145 0.000 2.179 162 L HA -0.029 4.311 4.340 0.001 0.000 0.208 162 L C 1.829 178.752 176.870 0.090 0.000 1.096 162 L CA 2.428 57.362 54.840 0.157 0.000 0.779 162 L CB -0.450 41.809 42.059 0.333 0.000 0.922 162 L HN 0.468 nan 8.230 nan 0.000 0.443 163 D N -0.698 119.668 120.400 -0.057 0.000 2.097 163 D HA -0.185 4.455 4.640 0.001 0.000 0.197 163 D C 2.262 178.500 176.300 -0.105 0.000 0.984 163 D CA 1.313 55.274 54.000 -0.065 0.000 0.826 163 D CB 0.071 40.852 40.800 -0.031 0.000 0.973 163 D HN 0.221 nan 8.370 nan 0.000 0.460 164 R N -0.771 119.515 120.500 -0.358 0.000 2.096 164 R HA -0.145 4.195 4.340 0.001 0.000 0.240 164 R C 2.369 178.477 176.300 -0.320 0.000 1.139 164 R CA 1.404 57.204 56.100 -0.501 0.000 0.952 164 R CB -0.675 29.186 30.300 -0.732 0.000 0.854 164 R HN 0.291 nan 8.270 nan 0.000 0.436 165 F N 1.250 120.897 119.950 -0.504 0.000 2.069 165 F HA -0.235 4.292 4.527 0.001 0.000 0.298 165 F C 2.411 177.922 175.800 -0.482 0.000 1.113 165 F CA 1.589 59.126 58.000 -0.772 0.000 1.214 165 F CB -0.279 38.603 39.000 -0.197 0.000 0.978 165 F HN 0.033 nan 8.300 nan 0.000 0.474 166 A N -0.087 122.684 122.820 -0.082 0.000 1.978 166 A HA -0.252 4.069 4.320 0.001 0.000 0.220 166 A C 2.012 179.509 177.584 -0.144 0.000 1.170 166 A CA 1.677 53.603 52.037 -0.186 0.000 0.636 166 A CB -0.718 17.889 19.000 -0.656 0.000 0.810 166 A HN 0.538 nan 8.150 nan 0.000 0.448 167 Q N -0.827 118.875 119.800 -0.162 0.000 2.181 167 Q HA -0.152 4.188 4.340 0.001 0.000 0.205 167 Q C 1.667 177.572 176.000 -0.159 0.000 0.980 167 Q CA 0.962 56.710 55.803 -0.092 0.000 0.862 167 Q CB -0.751 28.002 28.738 0.025 0.000 0.905 167 Q HN 0.683 nan 8.270 nan 0.000 0.429 168 F N -0.264 119.253 119.950 -0.721 0.000 2.225 168 F HA -0.192 4.336 4.527 0.001 0.000 0.302 168 F C 1.499 176.710 175.800 -0.982 0.000 1.068 168 F CA 0.692 58.001 58.000 -1.151 0.000 1.327 168 F CB -0.627 37.176 39.000 -1.993 0.000 1.043 168 F HN 0.050 nan 8.300 nan 0.000 0.506 169 F N -1.902 118.073 119.950 0.041 0.000 2.682 169 F HA 0.239 4.767 4.527 0.001 0.000 0.308 169 F C 1.550 177.450 175.800 0.168 0.000 1.093 169 F CA 0.005 58.109 58.000 0.174 0.000 1.244 169 F CB -0.426 38.630 39.000 0.094 0.000 1.052 169 F HN -0.187 nan 8.300 nan 0.000 0.573 170 L N -1.225 120.092 121.223 0.156 0.000 2.541 170 L HA 0.236 4.577 4.340 0.001 0.000 0.187 170 L C 0.504 177.402 176.870 0.047 0.000 1.098 170 L CA 0.415 55.319 54.840 0.107 0.000 0.846 170 L CB -0.115 41.960 42.059 0.027 0.000 1.151 170 L HN -0.044 nan 8.230 nan 0.000 0.492 171 S N -0.503 115.149 115.700 -0.079 0.000 2.486 171 S HA 0.365 4.835 4.470 0.001 0.000 0.144 171 S C -2.788 171.632 174.600 -0.300 0.000 1.542 171 S CA -1.054 57.053 58.200 -0.153 0.000 1.262 171 S CB 0.182 63.323 63.200 -0.098 0.000 1.462 171 S HN -0.100 nan 8.310 nan 0.000 0.381 172 P HA 0.165 nan 4.420 nan 0.000 0.269 172 P C 0.788 177.682 177.300 -0.676 0.000 1.209 172 P CA -0.461 62.159 63.100 -0.801 0.000 0.776 172 P CB 0.948 31.787 31.700 -1.435 0.000 0.876 173 L N 1.593 122.484 121.223 -0.553 0.000 2.109 173 L HA -0.015 4.325 4.340 0.001 0.000 0.207 173 L C 0.949 177.670 176.870 -0.249 0.000 1.086 173 L CA 0.690 55.338 54.840 -0.319 0.000 0.760 173 L CB -0.779 41.156 42.059 -0.208 0.000 0.910 173 L HN 0.330 nan 8.230 nan 0.000 0.437 174 F N 0.621 120.431 119.950 -0.234 0.000 2.970 174 F HA -0.265 4.262 4.527 0.001 0.000 0.251 174 F C 0.653 176.356 175.800 -0.160 0.000 0.993 174 F CA 0.133 57.995 58.000 -0.230 0.000 0.869 174 F CB -2.053 36.799 39.000 -0.245 0.000 0.762 174 F HN 0.240 nan 8.300 nan 0.000 0.817 175 D N 0.722 121.103 120.400 -0.032 0.000 2.571 175 D HA -0.018 4.623 4.640 0.001 0.000 0.231 175 D C 1.296 177.602 176.300 0.010 0.000 1.133 175 D CA 0.524 54.514 54.000 -0.016 0.000 0.862 175 D CB 0.837 41.617 40.800 -0.033 0.000 1.179 175 D HN 0.375 nan 8.370 nan 0.000 0.474 176 E N 1.685 121.892 120.200 0.013 0.000 2.085 176 E HA -0.206 4.144 4.350 0.001 0.000 0.194 176 E C 1.779 178.397 176.600 0.029 0.000 0.994 176 E CA 1.852 58.264 56.400 0.020 0.000 0.801 176 E CB -0.142 29.566 29.700 0.014 0.000 0.743 176 E HN 0.446 nan 8.360 nan 0.000 0.453 177 S N -0.785 114.929 115.700 0.024 0.000 2.458 177 S HA 0.159 4.629 4.470 0.001 0.000 0.223 177 S C 2.136 176.759 174.600 0.039 0.000 1.019 177 S CA 0.621 58.839 58.200 0.030 0.000 0.937 177 S CB -0.041 63.173 63.200 0.023 0.000 0.788 177 S HN 0.312 nan 8.310 nan 0.000 0.511 178 A N 2.611 125.450 122.820 0.032 0.000 1.933 178 A HA -0.058 4.263 4.320 0.001 0.000 0.218 178 A C 2.224 179.851 177.584 0.072 0.000 1.175 178 A CA 1.692 53.754 52.037 0.040 0.000 0.628 178 A CB -0.732 18.277 19.000 0.014 0.000 0.814 178 A HN 0.684 nan 8.150 nan 0.000 0.444 179 K N -0.330 120.111 120.400 0.068 0.000 2.025 179 K HA -0.198 4.122 4.320 0.001 0.000 0.207 179 K C 1.067 177.797 176.600 0.217 0.000 1.049 179 K CA 1.713 58.079 56.287 0.132 0.000 0.933 179 K CB -0.345 32.194 32.500 0.065 0.000 0.714 179 K HN 0.300 nan 8.250 nan 0.000 0.438 180 D N 0.579 121.052 120.400 0.122 0.000 2.221 180 D HA -0.123 4.517 4.640 0.001 0.000 0.204 180 D C 2.016 178.361 176.300 0.076 0.000 0.982 180 D CA 0.944 54.997 54.000 0.088 0.000 0.857 180 D CB 0.025 40.856 40.800 0.052 0.000 0.934 180 D HN 0.311 nan 8.370 nan 0.000 0.475 181 R N 0.072 120.622 120.500 0.083 0.000 2.057 181 R HA -0.027 4.314 4.340 0.001 0.000 0.224 181 R C 2.081 178.432 176.300 0.086 0.000 1.136 181 R CA 0.705 56.845 56.100 0.066 0.000 0.968 181 R CB -0.079 30.253 30.300 0.054 0.000 0.863 181 R HN -0.017 nan 8.270 nan 0.000 0.433 182 E N 0.866 121.156 120.200 0.150 0.000 2.268 182 E HA -0.111 4.239 4.350 0.001 0.000 0.195 182 E C 1.701 178.401 176.600 0.166 0.000 0.995 182 E CA 0.412 56.935 56.400 0.205 0.000 0.836 182 E CB -0.105 29.761 29.700 0.277 0.000 0.763 182 E HN 0.074 nan 8.360 nan 0.000 0.491 183 V N 0.640 120.604 119.914 0.083 0.000 2.453 183 V HA -0.350 3.771 4.120 0.001 0.000 0.252 183 V C 1.254 177.214 176.094 -0.223 0.000 1.068 183 V CA 2.529 64.614 62.300 -0.358 0.000 1.070 183 V CB -0.517 31.095 31.823 -0.353 0.000 0.664 183 V HN 0.378 nan 8.190 nan 0.000 0.461 184 N N 0.427 119.081 118.700 -0.076 0.000 2.166 184 N HA -0.071 4.669 4.740 0.001 0.000 0.186 184 N C 1.890 177.392 175.510 -0.013 0.000 1.019 184 N CA 1.397 54.423 53.050 -0.039 0.000 0.856 184 N CB -0.423 38.063 38.487 -0.001 0.000 0.993 184 N HN 0.586 nan 8.380 nan 0.000 0.426 185 A N 0.371 123.205 122.820 0.023 0.000 1.930 185 A HA -0.046 4.275 4.320 0.001 0.000 0.217 185 A C 2.300 179.908 177.584 0.041 0.000 1.175 185 A CA 0.994 53.107 52.037 0.127 0.000 0.627 185 A CB -0.607 18.533 19.000 0.235 0.000 0.815 185 A HN 0.109 nan 8.150 nan 0.000 0.443 186 V N 0.274 120.071 119.914 -0.196 0.000 2.358 186 V HA -0.230 3.890 4.120 0.001 0.000 0.246 186 V C 2.284 178.259 176.094 -0.199 0.000 1.047 186 V CA 2.390 64.468 62.300 -0.370 0.000 1.035 186 V CB -0.725 30.705 31.823 -0.655 0.000 0.658 186 V HN 0.701 nan 8.190 nan 0.000 0.452 187 D N -0.387 119.919 120.400 -0.155 0.000 2.123 187 D HA -0.199 4.441 4.640 0.001 0.000 0.196 187 D C 2.383 178.674 176.300 -0.015 0.000 0.992 187 D CA 1.645 55.609 54.000 -0.060 0.000 0.833 187 D CB -0.104 40.665 40.800 -0.051 0.000 0.954 187 D HN 0.328 nan 8.370 nan 0.000 0.455 188 S N -0.763 114.926 115.700 -0.018 0.000 2.383 188 S HA -0.176 4.294 4.470 0.001 0.000 0.227 188 S C 1.870 176.415 174.600 -0.093 0.000 1.026 188 S CA 1.245 59.448 58.200 0.004 0.000 0.981 188 S CB -0.367 62.886 63.200 0.088 0.000 0.818 188 S HN 0.297 nan 8.310 nan 0.000 0.472 189 E N -0.463 119.592 120.200 -0.243 0.000 2.049 189 E HA -0.266 4.084 4.350 0.001 0.000 0.198 189 E C 2.004 178.419 176.600 -0.309 0.000 1.007 189 E CA 1.691 57.762 56.400 -0.548 0.000 0.809 189 E CB -0.287 29.116 29.700 -0.495 0.000 0.749 189 E HN 0.746 nan 8.360 nan 0.000 0.450 190 H N 0.307 119.219 119.070 -0.263 0.000 2.387 190 H HA -0.108 4.448 4.556 0.001 0.000 0.299 190 H C 1.920 177.126 175.328 -0.202 0.000 1.090 190 H CA 1.984 57.890 56.048 -0.237 0.000 1.332 190 H CB 0.020 29.719 29.762 -0.105 0.000 1.386 190 H HN 0.067 nan 8.280 nan 0.000 0.516 191 E N 0.921 120.974 120.200 -0.244 0.000 2.077 191 E HA -0.190 4.160 4.350 0.001 0.000 0.193 191 E C 2.179 178.673 176.600 -0.177 0.000 0.989 191 E CA 1.787 58.048 56.400 -0.232 0.000 0.800 191 E CB -0.231 29.423 29.700 -0.077 0.000 0.746 191 E HN 0.677 nan 8.360 nan 0.000 0.452 192 K N -0.356 119.970 120.400 -0.123 0.000 2.280 192 K HA -0.110 4.211 4.320 0.001 0.000 0.202 192 K C 1.029 177.603 176.600 -0.044 0.000 1.047 192 K CA 1.443 57.714 56.287 -0.027 0.000 0.942 192 K CB -0.057 32.444 32.500 0.002 0.000 0.739 192 K HN 0.020 nan 8.250 nan 0.000 0.457 193 N N 0.682 119.240 118.700 -0.237 0.000 2.405 193 N HA -0.023 4.717 4.740 0.001 0.000 0.175 193 N C 1.631 177.132 175.510 -0.015 0.000 1.051 193 N CA 0.361 53.264 53.050 -0.245 0.000 0.899 193 N CB 0.129 38.164 38.487 -0.753 0.000 1.000 193 N HN -0.033 nan 8.380 nan 0.000 0.451 194 V N 1.141 120.922 119.914 -0.222 0.000 2.287 194 V HA -0.157 3.963 4.120 0.001 0.000 0.248 194 V C 1.653 177.802 176.094 0.092 0.000 1.053 194 V CA 1.313 63.507 62.300 -0.177 0.000 1.027 194 V CB -0.235 31.359 31.823 -0.382 0.000 0.646 194 V HN 0.299 nan 8.190 nan 0.000 0.447 195 M N 0.044 119.629 119.600 -0.026 0.000 2.530 195 M HA 0.180 4.661 4.480 0.001 0.000 0.231 195 M C 0.543 176.858 176.300 0.024 0.000 1.180 195 M CA 0.018 55.262 55.300 -0.094 0.000 0.985 195 M CB -1.601 30.720 32.600 -0.465 0.000 1.623 195 M HN 0.377 nan 8.290 nan 0.000 0.475 196 N N 1.126 119.929 118.700 0.173 0.000 2.444 196 N HA 0.053 4.794 4.740 0.001 0.000 0.271 196 N C 0.595 176.210 175.510 0.175 0.000 1.069 196 N CA -0.102 53.081 53.050 0.222 0.000 0.965 196 N CB 1.270 39.985 38.487 0.379 0.000 1.092 196 N HN 0.019 nan 8.380 nan 0.000 0.476 197 D N 2.794 123.254 120.400 0.101 0.000 2.149 197 D HA -0.189 4.451 4.640 0.001 0.000 0.198 197 D C 1.475 177.774 176.300 -0.001 0.000 0.990 197 D CA 1.290 55.319 54.000 0.049 0.000 0.839 197 D CB -0.065 40.764 40.800 0.047 0.000 0.948 197 D HN 0.701 nan 8.370 nan 0.000 0.460 198 A N 0.414 123.222 122.820 -0.019 0.000 1.873 198 A HA -0.134 4.186 4.320 0.001 0.000 0.215 198 A C 2.081 179.551 177.584 -0.189 0.000 1.186 198 A CA 0.903 52.854 52.037 -0.143 0.000 0.616 198 A CB -1.143 17.725 19.000 -0.221 0.000 0.823 198 A HN 0.247 nan 8.150 nan 0.000 0.442 199 W N 0.009 121.252 121.300 -0.095 0.000 2.335 199 W HA -0.140 4.521 4.660 0.001 0.000 0.311 199 W C 2.586 178.832 176.519 -0.455 0.000 1.213 199 W CA 1.510 58.767 57.345 -0.147 0.000 1.274 199 W CB -0.278 29.192 29.460 0.017 0.000 1.148 199 W HN 0.242 nan 8.180 nan 0.000 0.498 200 R N -0.494 119.852 120.500 -0.257 0.000 2.096 200 R HA -0.218 4.122 4.340 0.001 0.000 0.240 200 R C 2.020 178.125 176.300 -0.324 0.000 1.139 200 R CA 1.579 57.414 56.100 -0.443 0.000 0.952 200 R CB -1.119 29.105 30.300 -0.126 0.000 0.854 200 R HN 0.131 nan 8.270 nan 0.000 0.436 201 L N -0.169 120.917 121.223 -0.229 0.000 2.017 201 L HA -0.129 4.211 4.340 0.001 0.000 0.208 201 L C 2.109 178.831 176.870 -0.245 0.000 1.073 201 L CA 1.472 56.146 54.840 -0.277 0.000 0.745 201 L CB -1.002 40.859 42.059 -0.331 0.000 0.894 201 L HN 0.082 nan 8.230 nan 0.000 0.432 202 F N 0.355 120.108 119.950 -0.330 0.000 2.063 202 F HA -0.378 4.149 4.527 0.001 0.000 0.298 202 F C 2.732 178.386 175.800 -0.243 0.000 1.109 202 F CA 2.166 59.998 58.000 -0.279 0.000 1.212 202 F CB -0.068 38.774 39.000 -0.264 0.000 0.973 202 F HN 0.156 nan 8.300 nan 0.000 0.480 203 Q N 0.229 119.936 119.800 -0.156 0.000 2.230 203 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 203 Q C 1.884 177.737 176.000 -0.244 0.000 0.963 203 Q CA 1.374 57.056 55.803 -0.202 0.000 0.866 203 Q CB -0.403 28.344 28.738 0.014 0.000 0.931 203 Q HN 0.568 nan 8.270 nan 0.000 0.452 204 L N 0.337 121.382 121.223 -0.296 0.000 2.109 204 L HA -0.068 4.272 4.340 0.001 0.000 0.207 204 L C 2.055 178.695 176.870 -0.384 0.000 1.086 204 L CA 1.963 56.588 54.840 -0.358 0.000 0.760 204 L CB -0.540 41.248 42.059 -0.452 0.000 0.910 204 L HN 0.337 nan 8.230 nan 0.000 0.437 205 E N -0.230 119.752 120.200 -0.363 0.000 2.049 205 E HA -0.304 4.046 4.350 0.001 0.000 0.198 205 E C 2.113 178.669 176.600 -0.074 0.000 1.007 205 E CA 1.843 58.101 56.400 -0.236 0.000 0.809 205 E CB -0.054 29.530 29.700 -0.193 0.000 0.749 205 E HN 0.511 nan 8.360 nan 0.000 0.450 206 K N -0.111 120.092 120.400 -0.329 0.000 2.063 206 K HA -0.156 4.165 4.320 0.001 0.000 0.208 206 K C 2.103 178.634 176.600 -0.116 0.000 1.048 206 K CA 1.203 57.225 56.287 -0.441 0.000 0.928 206 K CB -0.168 31.884 32.500 -0.745 0.000 0.713 206 K HN 0.155 nan 8.250 nan 0.000 0.442 207 A N 1.069 123.829 122.820 -0.101 0.000 2.066 207 A HA -0.092 4.229 4.320 0.001 0.000 0.218 207 A C 1.972 179.572 177.584 0.027 0.000 1.157 207 A CA 1.700 53.730 52.037 -0.010 0.000 0.670 207 A CB -0.510 18.470 19.000 -0.033 0.000 0.804 207 A HN 0.449 nan 8.150 nan 0.000 0.453 208 T N -3.763 110.781 114.554 -0.017 0.000 3.054 208 T HA 0.449 4.800 4.350 0.001 0.000 0.255 208 T C 0.907 175.699 174.700 0.154 0.000 1.035 208 T CA 0.356 62.485 62.100 0.048 0.000 0.941 208 T CB 0.296 69.018 68.868 -0.242 0.000 1.026 208 T HN 0.343 nan 8.240 nan 0.000 0.533 209 G N 1.489 110.416 108.800 0.211 0.000 2.583 209 G HA2 0.386 4.346 3.960 0.001 0.000 0.280 209 G HA3 0.386 4.346 3.960 0.001 0.000 0.280 209 G C -0.411 174.386 174.900 -0.172 0.000 1.376 209 G CA -0.931 44.238 45.100 0.114 0.000 1.043 209 G HN 0.306 nan 8.290 nan 0.000 0.538 210 N N 1.061 119.573 118.700 -0.312 0.000 2.440 210 N HA 0.099 4.839 4.740 0.001 0.000 0.265 210 N C -1.205 174.389 175.510 0.140 0.000 1.239 210 N CA -1.637 51.426 53.050 0.021 0.000 0.909 210 N CB 1.412 39.976 38.487 0.128 0.000 1.066 210 N HN -0.005 nan 8.380 nan 0.000 0.474 211 P HA -0.046 nan 4.420 nan 0.000 0.233 211 P C 0.357 177.755 177.300 0.163 0.000 1.167 211 P CA 1.033 64.230 63.100 0.162 0.000 0.770 211 P CB 0.345 32.136 31.700 0.152 0.000 0.837 212 K N -1.587 118.915 120.400 0.170 0.000 2.404 212 K HA 0.005 4.325 4.320 0.001 0.000 0.194 212 K C 0.765 177.461 176.600 0.159 0.000 1.023 212 K CA -0.061 56.315 56.287 0.149 0.000 1.094 212 K CB -0.042 32.536 32.500 0.129 0.000 0.841 212 K HN 0.240 nan 8.250 nan 0.000 0.523 213 H N 0.641 119.763 119.070 0.086 0.000 2.502 213 H HA 0.113 4.669 4.556 0.001 0.000 0.327 213 H C -2.157 173.228 175.328 0.095 0.000 1.099 213 H CA -2.194 53.897 56.048 0.072 0.000 1.323 213 H CB 1.857 31.614 29.762 -0.008 0.000 1.450 213 H HN -0.179 nan 8.280 nan 0.000 0.502 214 P HA -0.156 nan 4.420 nan 0.000 0.222 214 P C 1.392 178.842 177.300 0.250 0.000 1.142 214 P CA 0.938 64.167 63.100 0.214 0.000 0.788 214 P CB -0.245 31.566 31.700 0.184 0.000 0.767 215 F N 1.026 121.110 119.950 0.225 0.000 2.269 215 F HA -0.205 4.322 4.527 0.001 0.000 0.301 215 F C 2.070 177.850 175.800 -0.033 0.000 1.082 215 F CA 1.428 59.419 58.000 -0.015 0.000 1.360 215 F CB -0.203 38.596 39.000 -0.336 0.000 1.041 215 F HN -0.025 nan 8.300 nan 0.000 0.512 216 S N -0.443 115.285 115.700 0.046 0.000 2.515 216 S HA -0.041 4.429 4.470 0.001 0.000 0.231 216 S C 0.724 175.326 174.600 0.004 0.000 0.987 216 S CA -0.126 58.056 58.200 -0.031 0.000 0.936 216 S CB -0.632 62.628 63.200 0.100 0.000 0.766 216 S HN 0.273 nan 8.310 nan 0.000 0.528 217 K N 1.157 121.569 120.400 0.020 0.000 2.319 217 K HA 0.175 4.495 4.320 0.001 0.000 0.265 217 K C -0.542 176.076 176.600 0.031 0.000 1.000 217 K CA -0.457 55.867 56.287 0.062 0.000 0.943 217 K CB 0.207 32.736 32.500 0.047 0.000 0.950 217 K HN 0.270 nan 8.250 nan 0.000 0.485 218 F N 2.131 121.940 119.950 -0.235 0.000 2.404 218 F HA 0.246 4.773 4.527 0.001 0.000 0.359 218 F C 0.990 176.599 175.800 -0.318 0.000 1.134 218 F CA -0.968 56.744 58.000 -0.481 0.000 1.160 218 F CB 0.340 38.547 39.000 -1.323 0.000 1.186 218 F HN 0.635 nan 8.300 nan 0.000 0.526 219 G N 3.295 111.927 108.800 -0.280 0.000 2.403 219 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 219 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 219 G C 1.317 175.906 174.900 -0.518 0.000 1.154 219 G CA 0.944 45.877 45.100 -0.278 0.000 0.784 219 G HN 0.637 nan 8.290 nan 0.000 0.538 220 T N 0.534 114.610 114.554 -0.797 0.000 2.821 220 T HA 0.323 4.674 4.350 0.001 0.000 0.267 220 T C 1.497 175.776 174.700 -0.701 0.000 1.046 220 T CA 1.141 62.869 62.100 -0.620 0.000 1.139 220 T CB -0.547 68.047 68.868 -0.455 0.000 0.871 220 T HN 1.094 nan 8.240 nan 0.000 0.454 221 G N 2.531 110.425 108.800 -1.511 0.000 2.888 221 G HA2 -0.023 3.937 3.960 0.001 0.000 0.441 221 G HA3 -0.023 3.937 3.960 0.001 0.000 0.441 221 G C -0.552 174.027 174.900 -0.534 0.000 1.461 221 G CA -0.277 44.258 45.100 -0.941 0.000 0.897 221 G HN 0.958 nan 8.290 nan 0.000 0.547 222 N N -2.233 116.300 118.700 -0.278 0.000 3.339 222 N HA 0.439 5.179 4.740 0.001 0.000 0.275 222 N C 0.575 176.016 175.510 -0.116 0.000 1.514 222 N CA 0.008 52.978 53.050 -0.133 0.000 0.879 222 N CB 0.636 39.140 38.487 0.027 0.000 1.557 222 N HN 0.796 nan 8.380 nan 0.000 0.524 223 K N -1.045 119.322 120.400 -0.055 0.000 2.152 223 K HA -0.125 4.195 4.320 0.001 0.000 0.206 223 K C 1.508 178.102 176.600 -0.010 0.000 1.048 223 K CA 1.397 57.644 56.287 -0.067 0.000 0.933 223 K CB -0.515 31.975 32.500 -0.015 0.000 0.721 223 K HN 0.503 nan 8.250 nan 0.000 0.447 224 Y N 0.855 121.148 120.300 -0.012 0.000 2.163 224 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 224 Y C 2.213 178.135 175.900 0.036 0.000 1.136 224 Y CA 2.238 60.358 58.100 0.032 0.000 1.147 224 Y CB -0.641 37.871 38.460 0.086 0.000 0.987 224 Y HN 0.260 nan 8.280 nan 0.000 0.509 225 T N -2.409 112.112 114.554 -0.054 0.000 3.085 225 T HA -0.016 4.334 4.350 0.001 0.000 0.263 225 T C 1.207 175.796 174.700 -0.184 0.000 1.127 225 T CA 0.970 63.000 62.100 -0.117 0.000 1.103 225 T CB -0.113 68.758 68.868 0.006 0.000 0.921 225 T HN 0.229 nan 8.240 nan 0.000 0.510 226 L N -0.327 120.764 121.223 -0.219 0.000 2.817 226 L HA 0.539 4.879 4.340 0.001 0.000 0.248 226 L C 1.762 178.517 176.870 -0.191 0.000 1.133 226 L CA 0.444 55.135 54.840 -0.249 0.000 0.935 226 L CB 0.440 42.206 42.059 -0.490 0.000 1.266 226 L HN 0.462 nan 8.230 nan 0.000 0.535 227 E N -1.972 118.121 120.200 -0.177 0.000 3.454 227 E HA -0.026 4.325 4.350 0.001 0.000 0.208 227 E C 1.411 177.937 176.600 -0.124 0.000 1.153 227 E CA 0.835 57.164 56.400 -0.117 0.000 1.553 227 E CB 0.322 29.967 29.700 -0.091 0.000 1.423 227 E HN 0.131 nan 8.360 nan 0.000 0.662 228 T N 1.831 116.297 114.554 -0.147 0.000 2.674 228 T HA -0.084 4.266 4.350 0.001 0.000 0.265 228 T C 1.888 176.455 174.700 -0.222 0.000 1.039 228 T CA 1.050 63.071 62.100 -0.132 0.000 1.150 228 T CB -0.223 68.629 68.868 -0.027 0.000 0.864 228 T HN -0.019 nan 8.240 nan 0.000 0.427 229 R N 0.997 121.204 120.500 -0.489 0.000 2.073 229 R HA -0.036 4.305 4.340 0.001 0.000 0.234 229 R C -0.640 175.551 176.300 -0.181 0.000 1.134 229 R CA 1.456 57.323 56.100 -0.389 0.000 0.952 229 R CB -1.600 28.388 30.300 -0.520 0.000 0.850 229 R HN 0.336 nan 8.270 nan 0.000 0.433 230 P HA -0.064 nan 4.420 nan 0.000 0.215 230 P C 0.616 177.882 177.300 -0.056 0.000 1.153 230 P CA 1.426 64.477 63.100 -0.082 0.000 0.853 230 P CB -0.257 31.400 31.700 -0.071 0.000 0.788 231 N N -0.617 118.047 118.700 -0.059 0.000 2.104 231 N HA -0.221 4.520 4.740 0.001 0.000 0.190 231 N C 1.978 177.472 175.510 -0.026 0.000 1.024 231 N CA 0.666 53.696 53.050 -0.034 0.000 0.853 231 N CB -0.364 38.106 38.487 -0.028 0.000 1.008 231 N HN 0.261 nan 8.380 nan 0.000 0.424 232 Q N 1.218 120.998 119.800 -0.034 0.000 2.124 232 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 232 Q C 0.727 176.722 176.000 -0.008 0.000 0.977 232 Q CA 1.268 57.063 55.803 -0.014 0.000 0.850 232 Q CB 0.181 28.915 28.738 -0.008 0.000 0.901 232 Q HN 0.452 nan 8.270 nan 0.000 0.429 233 E N -1.198 118.993 120.200 -0.015 0.000 2.465 233 E HA 0.131 4.481 4.350 0.001 0.000 0.191 233 E C 0.436 177.034 176.600 -0.003 0.000 1.053 233 E CA 0.273 56.670 56.400 -0.004 0.000 0.869 233 E CB 0.550 30.248 29.700 -0.003 0.000 0.977 233 E HN 0.553 nan 8.360 nan 0.000 0.483 234 G N 1.994 110.790 108.800 -0.007 0.000 2.176 234 G HA2 -0.289 3.671 3.960 0.001 0.000 0.252 234 G HA3 -0.289 3.671 3.960 0.001 0.000 0.252 234 G C 0.093 174.990 174.900 -0.004 0.000 1.024 234 G CA -0.034 45.063 45.100 -0.004 0.000 0.755 234 G HN 0.267 nan 8.290 nan 0.000 0.507 235 I N 0.496 121.061 120.570 -0.009 0.000 2.392 235 I HA 0.266 4.437 4.170 0.001 0.000 0.295 235 I C -0.294 175.817 176.117 -0.010 0.000 0.985 235 I CA -0.719 60.576 61.300 -0.007 0.000 1.221 235 I CB 1.477 39.472 38.000 -0.009 0.000 1.366 235 I HN 0.028 nan 8.210 nan 0.000 0.467 236 D N 6.089 126.484 120.400 -0.009 0.000 2.411 236 D HA 0.128 4.769 4.640 0.001 0.000 0.225 236 D C 0.796 177.084 176.300 -0.020 0.000 1.156 236 D CA -0.190 53.802 54.000 -0.013 0.000 0.874 236 D CB 1.566 42.358 40.800 -0.014 0.000 1.034 236 D HN 0.225 nan 8.370 nan 0.000 0.502 237 V N 5.006 124.913 119.914 -0.012 0.000 2.515 237 V HA -0.180 3.940 4.120 0.001 0.000 0.250 237 V C 2.573 178.626 176.094 -0.069 0.000 1.058 237 V CA 1.561 63.855 62.300 -0.010 0.000 1.064 237 V CB -0.472 31.380 31.823 0.049 0.000 0.675 237 V HN 0.547 nan 8.190 nan 0.000 0.461 238 R N 0.087 120.544 120.500 -0.072 0.000 2.073 238 R HA -0.247 4.094 4.340 0.001 0.000 0.234 238 R C 2.415 178.613 176.300 -0.170 0.000 1.134 238 R CA 2.187 58.207 56.100 -0.133 0.000 0.952 238 R CB -0.299 29.968 30.300 -0.055 0.000 0.850 238 R HN 0.610 nan 8.270 nan 0.000 0.433 239 Q N 0.110 119.854 119.800 -0.093 0.000 2.096 239 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 239 Q C 1.687 177.632 176.000 -0.092 0.000 0.982 239 Q CA 1.864 57.623 55.803 -0.074 0.000 0.850 239 Q CB 0.097 28.813 28.738 -0.037 0.000 0.901 239 Q HN 0.342 nan 8.270 nan 0.000 0.422 240 E N 0.384 120.535 120.200 -0.083 0.000 2.110 240 E HA -0.171 4.180 4.350 0.001 0.000 0.193 240 E C 2.143 178.682 176.600 -0.103 0.000 0.988 240 E CA 0.940 57.310 56.400 -0.049 0.000 0.804 240 E CB -0.234 29.453 29.700 -0.022 0.000 0.745 240 E HN 0.453 nan 8.360 nan 0.000 0.458 241 L N 0.352 121.390 121.223 -0.309 0.000 2.012 241 L HA -0.203 4.137 4.340 0.001 0.000 0.210 241 L C 2.639 179.120 176.870 -0.647 0.000 1.073 241 L CA 0.990 55.449 54.840 -0.635 0.000 0.748 241 L CB -0.545 40.776 42.059 -1.231 0.000 0.891 241 L HN 0.086 nan 8.230 nan 0.000 0.431 242 L N -0.257 120.637 121.223 -0.547 0.000 2.017 242 L HA -0.254 4.086 4.340 0.001 0.000 0.208 242 L C 2.739 179.600 176.870 -0.015 0.000 1.073 242 L CA 1.505 56.226 54.840 -0.198 0.000 0.745 242 L CB -0.513 41.497 42.059 -0.082 0.000 0.894 242 L HN 0.232 nan 8.230 nan 0.000 0.432 243 K N -0.244 120.144 120.400 -0.020 0.000 2.063 243 K HA -0.252 4.069 4.320 0.001 0.000 0.208 243 K C 2.197 178.835 176.600 0.062 0.000 1.048 243 K CA 1.699 57.996 56.287 0.016 0.000 0.928 243 K CB -0.209 32.297 32.500 0.011 0.000 0.713 243 K HN 0.124 nan 8.250 nan 0.000 0.442 244 F N 0.996 120.943 119.950 -0.006 0.000 2.146 244 F HA -0.230 4.297 4.527 0.001 0.000 0.298 244 F C 2.535 178.438 175.800 0.172 0.000 1.096 244 F CA 1.741 59.817 58.000 0.126 0.000 1.275 244 F CB -0.237 38.832 39.000 0.115 0.000 1.008 244 F HN 0.228 nan 8.300 nan 0.000 0.480 245 H N -1.154 118.029 119.070 0.189 0.000 2.353 245 H HA -0.154 4.403 4.556 0.001 0.000 0.300 245 H C 2.414 177.818 175.328 0.127 0.000 1.090 245 H CA 1.669 57.773 56.048 0.092 0.000 1.327 245 H CB -0.315 29.479 29.762 0.053 0.000 1.383 245 H HN 0.367 nan 8.280 nan 0.000 0.508 246 S N -0.239 115.560 115.700 0.165 0.000 2.383 246 S HA -0.054 4.416 4.470 0.001 0.000 0.227 246 S C 2.323 176.884 174.600 -0.065 0.000 1.026 246 S CA 1.045 59.287 58.200 0.071 0.000 0.981 246 S CB -0.342 62.893 63.200 0.058 0.000 0.818 246 S HN 0.575 nan 8.310 nan 0.000 0.472 247 A N -0.951 121.754 122.820 -0.193 0.000 1.970 247 A HA 0.188 4.509 4.320 0.001 0.000 0.216 247 A C 1.615 178.910 177.584 -0.481 0.000 1.170 247 A CA 0.908 52.690 52.037 -0.426 0.000 0.645 247 A CB -0.475 18.097 19.000 -0.713 0.000 0.816 247 A HN 0.725 nan 8.150 nan 0.000 0.447 248 Y N -3.833 116.374 120.300 -0.155 0.000 2.467 248 Y HA 0.210 4.760 4.550 0.001 0.000 0.259 248 Y C 0.344 176.268 175.900 0.039 0.000 1.084 248 Y CA -0.416 57.602 58.100 -0.137 0.000 1.275 248 Y CB 0.429 38.670 38.460 -0.365 0.000 1.208 248 Y HN 0.276 nan 8.280 nan 0.000 0.511 249 Y N 1.328 121.603 120.300 -0.042 0.000 2.851 249 Y HA 0.136 4.686 4.550 0.001 0.000 0.369 249 Y C 0.690 176.548 175.900 -0.070 0.000 1.226 249 Y CA -0.535 57.513 58.100 -0.087 0.000 1.949 249 Y CB 0.100 38.314 38.460 -0.410 0.000 2.059 249 Y HN -0.127 nan 8.280 nan 0.000 0.420 250 S N -0.007 115.703 115.700 0.017 0.000 2.541 250 S HA 0.096 4.567 4.470 0.001 0.000 0.283 250 S C 1.347 175.943 174.600 -0.008 0.000 1.196 250 S CA -0.222 57.980 58.200 0.003 0.000 1.062 250 S CB 0.963 64.153 63.200 -0.016 0.000 1.009 250 S HN 0.664 nan 8.310 nan 0.000 0.502 251 S N 3.919 119.624 115.700 0.009 0.000 2.400 251 S HA -0.205 4.265 4.470 0.001 0.000 0.232 251 S C 1.669 176.267 174.600 -0.003 0.000 1.025 251 S CA 1.541 59.744 58.200 0.006 0.000 0.993 251 S CB -0.797 62.419 63.200 0.027 0.000 0.808 251 S HN 0.909 nan 8.310 nan 0.000 0.478 252 N N 1.925 120.621 118.700 -0.006 0.000 2.520 252 N HA -0.061 4.679 4.740 0.001 0.000 0.185 252 N C 1.306 176.818 175.510 0.003 0.000 1.068 252 N CA 0.834 53.879 53.050 -0.008 0.000 0.911 252 N CB -0.444 38.031 38.487 -0.020 0.000 0.961 252 N HN 0.519 nan 8.380 nan 0.000 0.446 253 L N -0.293 120.930 121.223 0.000 0.000 2.769 253 L HA 0.377 4.718 4.340 0.001 0.000 0.240 253 L C 0.342 177.277 176.870 0.109 0.000 1.163 253 L CA -0.099 54.749 54.840 0.013 0.000 0.962 253 L CB 0.027 42.056 42.059 -0.051 0.000 1.258 253 L HN 0.031 nan 8.230 nan 0.000 0.513 254 M N 0.104 119.759 119.600 0.092 0.000 2.508 254 M HA 0.634 5.114 4.480 0.001 0.000 0.327 254 M C -0.370 175.926 176.300 -0.007 0.000 1.160 254 M CA -0.265 55.069 55.300 0.058 0.000 0.980 254 M CB 2.482 35.020 32.600 -0.103 0.000 1.693 254 M HN -0.024 nan 8.290 nan 0.000 0.452 255 A N 2.257 125.008 122.820 -0.116 0.000 2.386 255 A HA 0.885 5.205 4.320 0.001 0.000 0.311 255 A C -1.109 176.339 177.584 -0.228 0.000 1.068 255 A CA -0.672 51.199 52.037 -0.277 0.000 0.743 255 A CB 1.423 20.097 19.000 -0.542 0.000 1.258 255 A HN 0.609 nan 8.150 nan 0.000 0.429 256 V N 1.609 121.370 119.914 -0.255 0.000 2.823 256 V HA 0.667 4.787 4.120 0.001 0.000 0.312 256 V C -0.675 175.290 176.094 -0.215 0.000 1.072 256 V CA -0.516 61.611 62.300 -0.288 0.000 0.937 256 V CB 1.962 33.458 31.823 -0.545 0.000 1.013 256 V HN 0.736 nan 8.190 nan 0.000 0.430 257 V N 3.893 123.702 119.914 -0.175 0.000 2.638 257 V HA 0.620 4.740 4.120 0.001 0.000 0.306 257 V C -0.804 175.202 176.094 -0.146 0.000 1.052 257 V CA -0.579 61.633 62.300 -0.147 0.000 0.885 257 V CB 2.167 33.904 31.823 -0.143 0.000 0.999 257 V HN 0.596 nan 8.190 nan 0.000 0.424 258 V N 5.727 125.574 119.914 -0.111 0.000 2.531 258 V HA 0.572 4.692 4.120 0.001 0.000 0.301 258 V C -0.637 175.418 176.094 -0.065 0.000 1.034 258 V CA -0.512 61.735 62.300 -0.088 0.000 0.865 258 V CB 1.944 33.747 31.823 -0.034 0.000 0.995 258 V HN 0.743 nan 8.190 nan 0.000 0.424 259 L N 4.428 125.612 121.223 -0.066 0.000 2.381 259 L HA 1.005 5.346 4.340 0.001 0.000 0.274 259 L C 0.071 176.933 176.870 -0.013 0.000 0.988 259 L CA 0.233 55.051 54.840 -0.037 0.000 0.824 259 L CB 1.600 43.655 42.059 -0.006 0.000 1.263 259 L HN 0.821 nan 8.230 nan 0.000 0.410 260 G N 3.287 112.081 108.800 -0.011 0.000 2.663 260 G HA2 0.298 4.259 3.960 0.001 0.000 0.299 260 G HA3 0.298 4.259 3.960 0.001 0.000 0.299 260 G C -0.281 174.611 174.900 -0.014 0.000 1.372 260 G CA -0.634 44.476 45.100 0.017 0.000 0.781 260 G HN 0.572 nan 8.290 nan 0.000 0.491 261 R N -0.346 120.151 120.500 -0.005 0.000 2.200 261 R HA 0.091 4.431 4.340 0.001 0.000 0.208 261 R C 0.246 176.526 176.300 -0.034 0.000 1.033 261 R CA 0.328 56.397 56.100 -0.052 0.000 1.000 261 R CB 0.022 30.262 30.300 -0.101 0.000 0.906 261 R HN 0.518 nan 8.270 nan 0.000 0.462 262 E N 1.056 121.253 120.200 -0.006 0.000 2.438 262 E HA -0.046 4.305 4.350 0.001 0.000 0.261 262 E C 0.079 176.667 176.600 -0.020 0.000 1.103 262 E CA 0.149 56.546 56.400 -0.005 0.000 0.959 262 E CB 0.479 30.186 29.700 0.012 0.000 0.958 262 E HN 0.123 nan 8.360 nan 0.000 0.447 263 S N 1.311 117.000 115.700 -0.017 0.000 2.584 263 S HA 0.036 4.506 4.470 0.001 0.000 0.270 263 S C 1.355 175.942 174.600 -0.022 0.000 1.346 263 S CA -0.595 57.591 58.200 -0.024 0.000 1.018 263 S CB 0.366 63.556 63.200 -0.017 0.000 0.899 263 S HN 0.515 nan 8.310 nan 0.000 0.542 264 L N 0.470 121.675 121.223 -0.030 0.000 2.021 264 L HA -0.219 4.121 4.340 0.001 0.000 0.215 264 L C 2.288 179.151 176.870 -0.011 0.000 1.074 264 L CA 1.901 56.726 54.840 -0.025 0.000 0.760 264 L CB -0.822 41.220 42.059 -0.029 0.000 0.889 264 L HN 0.672 nan 8.230 nan 0.000 0.433 265 D N -0.203 120.192 120.400 -0.008 0.000 2.123 265 D HA -0.177 4.463 4.640 0.001 0.000 0.196 265 D C 1.847 178.151 176.300 0.007 0.000 0.992 265 D CA 1.288 55.288 54.000 -0.001 0.000 0.833 265 D CB -0.249 40.550 40.800 -0.001 0.000 0.954 265 D HN 0.342 nan 8.370 nan 0.000 0.455 266 D N 0.066 120.470 120.400 0.006 0.000 2.149 266 D HA -0.040 4.600 4.640 0.001 0.000 0.201 266 D C 2.386 178.701 176.300 0.024 0.000 0.972 266 D CA 0.227 54.236 54.000 0.015 0.000 0.835 266 D CB -0.229 40.579 40.800 0.013 0.000 0.966 266 D HN 0.219 nan 8.370 nan 0.000 0.476 267 L N 0.683 121.917 121.223 0.018 0.000 2.083 267 L HA -0.159 4.181 4.340 0.001 0.000 0.209 267 L C 2.436 179.327 176.870 0.035 0.000 1.083 267 L CA 1.146 56.002 54.840 0.027 0.000 0.752 267 L CB -0.686 41.378 42.059 0.009 0.000 0.899 267 L HN 0.033 nan 8.230 nan 0.000 0.433 268 T N -0.477 114.091 114.554 0.023 0.000 2.720 268 T HA -0.151 4.200 4.350 0.001 0.000 0.268 268 T C 1.696 176.421 174.700 0.042 0.000 1.037 268 T CA 1.472 63.588 62.100 0.027 0.000 1.144 268 T CB -0.252 68.626 68.868 0.016 0.000 0.864 268 T HN 0.325 nan 8.240 nan 0.000 0.444 269 N N 1.213 119.936 118.700 0.039 0.000 2.216 269 N HA 0.032 4.772 4.740 0.001 0.000 0.183 269 N C 1.872 177.418 175.510 0.060 0.000 1.017 269 N CA 0.441 53.516 53.050 0.042 0.000 0.861 269 N CB -0.510 37.995 38.487 0.031 0.000 0.986 269 N HN 0.240 nan 8.380 nan 0.000 0.428 270 L N 1.133 122.397 121.223 0.068 0.000 2.017 270 L HA -0.087 4.254 4.340 0.001 0.000 0.208 270 L C 2.181 179.139 176.870 0.146 0.000 1.073 270 L CA 1.474 56.368 54.840 0.091 0.000 0.745 270 L CB -0.619 41.493 42.059 0.089 0.000 0.894 270 L HN 0.008 nan 8.230 nan 0.000 0.432 271 V N -0.889 119.123 119.914 0.163 0.000 2.379 271 V HA -0.170 3.950 4.120 0.001 0.000 0.245 271 V C 2.555 178.808 176.094 0.265 0.000 1.044 271 V CA 1.578 64.040 62.300 0.271 0.000 1.036 271 V CB 0.076 31.985 31.823 0.143 0.000 0.664 271 V HN 0.254 nan 8.190 nan 0.000 0.453 272 V N 0.765 120.767 119.914 0.147 0.000 2.252 272 V HA -0.339 3.781 4.120 0.001 0.000 0.249 272 V C 2.594 178.749 176.094 0.100 0.000 1.056 272 V CA 2.832 65.200 62.300 0.113 0.000 1.022 272 V CB -0.897 30.966 31.823 0.068 0.000 0.641 272 V HN 0.682 nan 8.190 nan 0.000 0.445 273 K N -0.407 120.041 120.400 0.080 0.000 2.044 273 K HA -0.210 4.111 4.320 0.001 0.000 0.210 273 K C 2.029 178.643 176.600 0.024 0.000 1.049 273 K CA 1.942 58.257 56.287 0.046 0.000 0.927 273 K CB -0.207 32.316 32.500 0.039 0.000 0.713 273 K HN 0.417 nan 8.250 nan 0.000 0.443 274 L N -0.866 120.378 121.223 0.036 0.000 2.375 274 L HA 0.020 4.360 4.340 0.001 0.000 0.215 274 L C 1.319 177.973 176.870 -0.360 0.000 1.108 274 L CA 0.403 55.143 54.840 -0.167 0.000 0.830 274 L CB 0.141 42.069 42.059 -0.218 0.000 0.959 274 L HN 0.138 nan 8.230 nan 0.000 0.457 275 F N -1.930 118.051 119.950 0.052 0.000 2.784 275 F HA 0.042 4.569 4.527 0.001 0.000 0.323 275 F C 2.393 178.209 175.800 0.026 0.000 1.085 275 F CA 0.254 58.280 58.000 0.043 0.000 1.196 275 F CB 0.182 39.201 39.000 0.031 0.000 1.053 275 F HN -0.055 nan 8.300 nan 0.000 0.578 276 S N 0.090 115.888 115.700 0.163 0.000 2.522 276 S HA -0.142 4.328 4.470 0.001 0.000 0.227 276 S C 1.399 176.040 174.600 0.067 0.000 0.986 276 S CA 0.834 59.096 58.200 0.102 0.000 0.929 276 S CB -0.721 62.523 63.200 0.073 0.000 0.769 276 S HN 0.628 nan 8.310 nan 0.000 0.529 277 E N 1.155 121.384 120.200 0.049 0.000 2.482 277 E HA 0.107 4.458 4.350 0.001 0.000 0.196 277 E C -0.103 176.526 176.600 0.048 0.000 1.047 277 E CA -0.018 56.401 56.400 0.032 0.000 0.869 277 E CB -0.376 29.328 29.700 0.006 0.000 0.836 277 E HN 0.322 nan 8.360 nan 0.000 0.520 278 V N 2.485 122.447 119.914 0.080 0.000 2.599 278 V HA -0.047 4.073 4.120 0.001 0.000 0.300 278 V C 0.490 176.627 176.094 0.072 0.000 1.034 278 V CA 0.189 62.550 62.300 0.101 0.000 1.115 278 V CB 0.728 32.643 31.823 0.154 0.000 0.934 278 V HN 0.266 nan 8.190 nan 0.000 0.485 279 E N 3.866 124.106 120.200 0.066 0.000 2.383 279 E HA 0.117 4.468 4.350 0.001 0.000 0.264 279 E C -0.077 176.540 176.600 0.029 0.000 1.050 279 E CA -0.378 56.047 56.400 0.042 0.000 0.896 279 E CB 0.554 30.278 29.700 0.041 0.000 0.982 279 E HN 0.697 nan 8.360 nan 0.000 0.424 280 N N 2.825 121.533 118.700 0.015 0.000 2.446 280 N HA 0.127 4.868 4.740 0.001 0.000 0.265 280 N C -0.726 174.777 175.510 -0.011 0.000 0.975 280 N CA -0.371 52.681 53.050 0.002 0.000 0.928 280 N CB 0.936 39.424 38.487 0.002 0.000 1.160 280 N HN 0.367 nan 8.380 nan 0.000 0.495 281 K N 2.105 122.491 120.400 -0.023 0.000 2.358 281 K HA 0.181 4.502 4.320 0.001 0.000 0.200 281 K C -0.255 176.316 176.600 -0.048 0.000 1.030 281 K CA -0.326 55.937 56.287 -0.040 0.000 1.097 281 K CB -0.092 32.370 32.500 -0.062 0.000 0.862 281 K HN 0.628 nan 8.250 nan 0.000 0.534 282 N N 1.745 120.421 118.700 -0.039 0.000 2.725 282 N HA -0.145 4.595 4.740 0.001 0.000 0.251 282 N C -0.731 174.746 175.510 -0.055 0.000 1.031 282 N CA 0.273 53.298 53.050 -0.043 0.000 0.720 282 N CB -0.766 37.696 38.487 -0.041 0.000 0.930 282 N HN -0.080 nan 8.380 nan 0.000 0.543 283 V N 1.559 121.439 119.914 -0.057 0.000 2.572 283 V HA 0.197 4.317 4.120 0.001 0.000 0.291 283 V C -1.567 174.490 176.094 -0.061 0.000 1.039 283 V CA -0.758 61.505 62.300 -0.061 0.000 1.055 283 V CB 0.927 32.728 31.823 -0.036 0.000 0.969 283 V HN 0.156 nan 8.190 nan 0.000 0.482 284 P HA 0.171 nan 4.420 nan 0.000 0.271 284 P C -0.244 176.986 177.300 -0.117 0.000 1.216 284 P CA -0.413 62.635 63.100 -0.088 0.000 0.776 284 P CB 0.582 32.231 31.700 -0.084 0.000 0.881 285 L N 5.052 126.172 121.223 -0.171 0.000 2.410 285 L HA 0.189 4.530 4.340 0.001 0.000 0.273 285 L C -1.876 174.833 176.870 -0.268 0.000 1.144 285 L CA -1.644 53.039 54.840 -0.262 0.000 0.863 285 L CB 0.402 42.266 42.059 -0.326 0.000 1.140 285 L HN 0.273 nan 8.230 nan 0.000 0.463 286 P HA 0.068 nan 4.420 nan 0.000 0.265 286 P C -1.413 175.549 177.300 -0.563 0.000 1.193 286 P CA 0.000 62.864 63.100 -0.393 0.000 0.765 286 P CB 0.578 32.109 31.700 -0.280 0.000 0.823 287 E N 1.300 121.053 120.200 -0.744 0.000 2.369 287 E HA 0.626 4.977 4.350 0.001 0.000 0.270 287 E C -1.444 174.661 176.600 -0.825 0.000 0.909 287 E CA -0.784 55.255 56.400 -0.602 0.000 0.775 287 E CB 1.227 30.777 29.700 -0.250 0.000 1.270 287 E HN 0.184 nan 8.360 nan 0.000 0.445 288 F N 0.956 120.965 119.950 0.099 0.000 2.584 288 F HA 0.330 4.858 4.527 0.001 0.000 0.328 288 F C -1.870 174.055 175.800 0.209 0.000 1.407 288 F CA -1.761 56.343 58.000 0.173 0.000 1.145 288 F CB 1.520 40.758 39.000 0.398 0.000 1.440 288 F HN 0.408 nan 8.300 nan 0.000 0.580 289 P HA -0.164 nan 4.420 nan 0.000 0.223 289 P C 0.289 177.694 177.300 0.175 0.000 1.151 289 P CA 0.995 64.193 63.100 0.163 0.000 0.787 289 P CB 0.466 32.213 31.700 0.079 0.000 0.788 290 E N 0.509 120.812 120.200 0.172 0.000 2.259 290 E HA 0.029 4.379 4.350 0.001 0.000 0.281 290 E C -0.127 176.548 176.600 0.125 0.000 1.037 290 E CA -0.566 55.928 56.400 0.155 0.000 0.854 290 E CB 0.246 30.025 29.700 0.132 0.000 1.051 290 E HN 0.141 nan 8.360 nan 0.000 0.409 291 H N 6.211 125.250 119.070 -0.052 0.000 2.803 291 H HA 0.043 4.599 4.556 0.001 0.000 0.330 291 H C -1.674 173.327 175.328 -0.544 0.000 1.057 291 H CA -1.702 54.132 56.048 -0.357 0.000 1.458 291 H CB 1.393 31.034 29.762 -0.203 0.000 1.470 291 H HN 0.463 nan 8.280 nan 0.000 0.560 292 P HA -0.114 nan 4.420 nan 0.000 0.225 292 P C -0.238 176.843 177.300 -0.365 0.000 1.148 292 P CA 0.868 63.346 63.100 -1.037 0.000 0.779 292 P CB 0.116 30.831 31.700 -1.642 0.000 0.780 293 F N 0.915 120.891 119.950 0.043 0.000 2.361 293 F HA 0.381 4.909 4.527 0.001 0.000 0.364 293 F C 1.153 177.048 175.800 0.157 0.000 1.120 293 F CA -1.072 56.966 58.000 0.064 0.000 1.102 293 F CB 0.203 39.260 39.000 0.095 0.000 1.183 293 F HN -0.179 nan 8.300 nan 0.000 0.476 294 Q N 1.805 121.973 119.800 0.614 0.000 2.199 294 Q HA 0.265 4.606 4.340 0.001 0.000 0.205 294 Q C 1.406 177.561 176.000 0.259 0.000 1.001 294 Q CA -0.561 55.466 55.803 0.373 0.000 1.019 294 Q CB 0.733 29.675 28.738 0.340 0.000 1.132 294 Q HN 0.593 nan 8.270 nan 0.000 0.530 295 E N 1.123 121.396 120.200 0.122 0.000 2.065 295 E HA -0.245 4.105 4.350 0.001 0.000 0.201 295 E C 1.399 177.991 176.600 -0.012 0.000 1.016 295 E CA 1.612 58.044 56.400 0.054 0.000 0.818 295 E CB 0.128 29.848 29.700 0.033 0.000 0.749 295 E HN 0.568 nan 8.360 nan 0.000 0.453 296 E N 1.052 121.178 120.200 -0.123 0.000 2.331 296 E HA -0.213 4.138 4.350 0.001 0.000 0.199 296 E C 1.199 177.621 176.600 -0.297 0.000 1.008 296 E CA 1.239 57.495 56.400 -0.239 0.000 0.843 296 E CB -0.463 29.064 29.700 -0.289 0.000 0.761 296 E HN 0.549 nan 8.360 nan 0.000 0.507 297 H N 0.269 119.389 119.070 0.084 0.000 2.551 297 H HA 0.332 4.889 4.556 0.001 0.000 0.271 297 H C 0.779 176.104 175.328 -0.005 0.000 0.984 297 H CA -0.029 56.053 56.048 0.057 0.000 1.164 297 H CB 0.488 30.312 29.762 0.103 0.000 1.437 297 H HN 0.090 nan 8.280 nan 0.000 0.550 298 L N 0.272 121.546 121.223 0.084 0.000 2.365 298 L HA 0.225 4.566 4.340 0.001 0.000 0.267 298 L C 0.747 177.645 176.870 0.048 0.000 1.033 298 L CA -0.903 53.981 54.840 0.073 0.000 0.802 298 L CB 0.883 43.001 42.059 0.099 0.000 1.267 298 L HN -0.021 nan 8.230 nan 0.000 0.457 299 K N 0.346 120.791 120.400 0.074 0.000 3.156 299 K HA -0.190 4.130 4.320 0.001 0.000 0.266 299 K C -0.693 175.911 176.600 0.007 0.000 0.966 299 K CA 0.319 56.650 56.287 0.073 0.000 0.719 299 K CB -1.175 31.356 32.500 0.052 0.000 1.333 299 K HN 0.434 nan 8.250 nan 0.000 0.468 300 Q N 0.401 120.188 119.800 -0.022 0.000 2.345 300 Q HA 0.571 4.912 4.340 0.001 0.000 0.268 300 Q C -0.754 175.100 176.000 -0.244 0.000 1.054 300 Q CA -0.988 54.701 55.803 -0.191 0.000 0.835 300 Q CB 2.056 30.656 28.738 -0.230 0.000 1.339 300 Q HN 0.242 nan 8.270 nan 0.000 0.447 301 L N 1.909 122.868 121.223 -0.439 0.000 2.385 301 L HA 0.527 4.867 4.340 0.001 0.000 0.273 301 L C -1.913 174.646 176.870 -0.518 0.000 0.990 301 L CA -0.509 54.154 54.840 -0.295 0.000 0.821 301 L CB 1.332 43.314 42.059 -0.128 0.000 1.279 301 L HN 0.478 nan 8.230 nan 0.000 0.412 302 Y N 3.504 123.802 120.300 -0.003 0.000 2.361 302 Y HA 0.560 5.111 4.550 0.001 0.000 0.337 302 Y C -0.310 175.555 175.900 -0.059 0.000 0.965 302 Y CA -0.679 57.421 58.100 0.000 0.000 1.091 302 Y CB 1.977 40.435 38.460 -0.003 0.000 1.182 302 Y HN 0.390 nan 8.280 nan 0.000 0.450 303 K N 4.851 125.224 120.400 -0.045 0.000 2.307 303 K HA 0.682 5.003 4.320 0.001 0.000 0.263 303 K C -1.279 175.251 176.600 -0.115 0.000 0.973 303 K CA -0.400 55.621 56.287 -0.444 0.000 0.846 303 K CB 1.614 33.427 32.500 -1.145 0.000 1.100 303 K HN 0.565 nan 8.250 nan 0.000 0.438 304 I N 2.240 122.905 120.570 0.159 0.000 2.545 304 I HA 0.246 4.417 4.170 0.001 0.000 0.292 304 I C -0.485 175.844 176.117 0.354 0.000 1.040 304 I CA -1.321 60.132 61.300 0.254 0.000 1.068 304 I CB 2.252 40.354 38.000 0.169 0.000 1.251 304 I HN 0.167 nan 8.210 nan 0.000 0.424 305 V N 7.258 127.332 119.914 0.267 0.000 2.408 305 V HA 0.283 4.403 4.120 0.001 0.000 0.267 305 V C -1.837 174.339 176.094 0.136 0.000 1.047 305 V CA -1.215 61.211 62.300 0.209 0.000 0.937 305 V CB 0.516 32.437 31.823 0.163 0.000 0.999 305 V HN 0.584 nan 8.190 nan 0.000 0.472 306 P HA 0.379 nan 4.420 nan 0.000 0.279 306 P C 0.618 177.951 177.300 0.054 0.000 1.276 306 P CA -0.434 62.713 63.100 0.078 0.000 0.801 306 P CB 1.541 33.288 31.700 0.078 0.000 1.127 307 I N -0.780 119.813 120.570 0.039 0.000 2.260 307 I HA 0.043 4.213 4.170 0.001 0.000 0.237 307 I C 1.367 177.495 176.117 0.019 0.000 1.075 307 I CA 1.091 62.400 61.300 0.016 0.000 1.376 307 I CB -1.364 36.632 38.000 -0.007 0.000 1.107 307 I HN 0.341 nan 8.210 nan 0.000 0.420 308 K N 1.290 121.706 120.400 0.028 0.000 2.187 308 K HA -0.053 4.268 4.320 0.001 0.000 0.247 308 K C -0.002 176.615 176.600 0.029 0.000 1.019 308 K CA -0.130 56.175 56.287 0.030 0.000 0.893 308 K CB 0.266 32.789 32.500 0.038 0.000 1.025 308 K HN -0.027 nan 8.250 nan 0.000 0.500 309 D N 2.621 123.034 120.400 0.022 0.000 2.494 309 D HA 0.171 4.811 4.640 0.001 0.000 0.217 309 D C -0.769 175.542 176.300 0.018 0.000 1.153 309 D CA -0.316 53.693 54.000 0.014 0.000 0.954 309 D CB -0.508 40.294 40.800 0.004 0.000 1.034 309 D HN 0.385 nan 8.370 nan 0.000 0.518 310 I N -0.080 120.506 120.570 0.027 0.000 2.689 310 I HA 0.647 4.817 4.170 0.001 0.000 0.299 310 I C -0.706 175.428 176.117 0.029 0.000 1.059 310 I CA -1.359 59.961 61.300 0.034 0.000 1.055 310 I CB 2.305 40.337 38.000 0.054 0.000 1.243 310 I HN 0.061 nan 8.210 nan 0.000 0.425 311 R N 2.990 123.500 120.500 0.016 0.000 2.451 311 R HA 0.620 4.960 4.340 0.001 0.000 0.307 311 R C -1.772 174.524 176.300 -0.005 0.000 0.965 311 R CA -0.576 55.528 56.100 0.007 0.000 0.865 311 R CB 1.290 31.576 30.300 -0.023 0.000 1.174 311 R HN 0.689 nan 8.270 nan 0.000 0.455 312 N N 2.566 121.270 118.700 0.006 0.000 2.321 312 N HA 0.484 5.224 4.740 0.001 0.000 0.290 312 N C -1.745 173.676 175.510 -0.147 0.000 1.212 312 N CA -0.815 52.162 53.050 -0.121 0.000 0.767 312 N CB 2.239 40.601 38.487 -0.208 0.000 1.494 312 N HN 0.569 nan 8.380 nan 0.000 0.479 313 L N 1.173 122.190 121.223 -0.343 0.000 2.381 313 L HA 0.559 4.899 4.340 0.001 0.000 0.274 313 L C -1.897 174.666 176.870 -0.511 0.000 0.988 313 L CA -0.512 54.178 54.840 -0.250 0.000 0.824 313 L CB 0.987 42.976 42.059 -0.117 0.000 1.263 313 L HN 0.450 nan 8.230 nan 0.000 0.410 314 Y N 4.403 124.697 120.300 -0.010 0.000 2.338 314 Y HA 0.636 5.186 4.550 0.001 0.000 0.328 314 Y C -0.370 175.495 175.900 -0.060 0.000 0.965 314 Y CA -0.828 57.250 58.100 -0.037 0.000 1.208 314 Y CB 2.026 40.462 38.460 -0.039 0.000 1.132 314 Y HN 0.323 nan 8.280 nan 0.000 0.469 315 V N 3.539 123.454 119.914 0.002 0.000 2.435 315 V HA 0.579 4.699 4.120 0.001 0.000 0.290 315 V C -0.194 175.811 176.094 -0.149 0.000 1.030 315 V CA -0.456 61.768 62.300 -0.128 0.000 0.881 315 V CB 1.814 33.498 31.823 -0.231 0.000 0.983 315 V HN 0.805 nan 8.190 nan 0.000 0.445 316 T N 5.280 119.687 114.554 -0.245 0.000 2.861 316 T HA 0.708 5.059 4.350 0.001 0.000 0.287 316 T C -0.986 173.560 174.700 -0.257 0.000 1.003 316 T CA -0.221 61.826 62.100 -0.088 0.000 0.977 316 T CB 1.116 70.044 68.868 0.100 0.000 0.996 316 T HN 0.300 nan 8.240 nan 0.000 0.448 317 F N 3.525 123.689 119.950 0.357 0.000 2.518 317 F HA 0.453 4.981 4.527 0.001 0.000 0.323 317 F C -2.228 173.785 175.800 0.355 0.000 1.129 317 F CA -2.617 55.570 58.000 0.313 0.000 0.920 317 F CB 1.837 41.000 39.000 0.272 0.000 1.160 317 F HN 0.253 nan 8.300 nan 0.000 0.440 318 P HA 0.325 nan 4.420 nan 0.000 0.271 318 P C -0.768 176.574 177.300 0.070 0.000 1.216 318 P CA 0.073 63.205 63.100 0.052 0.000 0.776 318 P CB 1.197 32.587 31.700 -0.517 0.000 0.881 319 I N -1.069 119.577 120.570 0.126 0.000 2.994 319 I HA 0.646 4.816 4.170 0.001 0.000 0.306 319 I C -2.908 173.331 176.117 0.203 0.000 1.195 319 I CA -3.470 57.929 61.300 0.166 0.000 1.001 319 I CB 2.239 40.374 38.000 0.225 0.000 1.244 319 I HN 0.032 nan 8.210 nan 0.000 0.437 320 P HA 0.035 nan 4.420 nan 0.000 0.273 320 P C -0.955 176.431 177.300 0.143 0.000 1.250 320 P CA 0.034 63.241 63.100 0.178 0.000 0.793 320 P CB 0.391 32.190 31.700 0.165 0.000 1.011 321 D N 0.615 121.073 120.400 0.097 0.000 2.382 321 D HA 0.023 4.663 4.640 0.001 0.000 0.259 321 D C 0.761 177.105 176.300 0.073 0.000 1.224 321 D CA 0.223 54.251 54.000 0.046 0.000 0.894 321 D CB 0.068 40.874 40.800 0.010 0.000 1.127 321 D HN 0.210 nan 8.370 nan 0.000 0.487 322 L N 3.238 124.537 121.223 0.126 0.000 2.592 322 L HA 0.026 4.366 4.340 0.001 0.000 0.227 322 L C 2.004 178.942 176.870 0.113 0.000 1.127 322 L CA -0.170 54.801 54.840 0.219 0.000 0.884 322 L CB -0.161 42.097 42.059 0.332 0.000 1.065 322 L HN 0.384 nan 8.230 nan 0.000 0.457 323 Q N 2.612 122.445 119.800 0.055 0.000 2.112 323 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 323 Q C 2.068 178.147 176.000 0.132 0.000 0.987 323 Q CA 2.111 57.967 55.803 0.088 0.000 0.858 323 Q CB -0.151 28.623 28.738 0.060 0.000 0.905 323 Q HN 0.601 nan 8.270 nan 0.000 0.420 324 K N -1.437 118.915 120.400 -0.079 0.000 2.515 324 K HA -0.133 4.187 4.320 0.001 0.000 0.196 324 K C 0.292 176.781 176.600 -0.186 0.000 1.038 324 K CA 0.954 57.177 56.287 -0.107 0.000 0.967 324 K CB -0.162 32.178 32.500 -0.266 0.000 0.780 324 K HN 0.250 nan 8.250 nan 0.000 0.483 325 Y N 0.960 121.330 120.300 0.117 0.000 2.493 325 Y HA 0.079 4.629 4.550 0.001 0.000 0.275 325 Y C 1.323 177.234 175.900 0.018 0.000 1.183 325 Y CA -1.363 56.749 58.100 0.020 0.000 1.258 325 Y CB -0.851 37.627 38.460 0.029 0.000 1.108 325 Y HN 0.197 nan 8.280 nan 0.000 0.521 326 Y N -0.216 120.211 120.300 0.212 0.000 2.283 326 Y HA -0.262 4.288 4.550 0.001 0.000 0.285 326 Y C 1.808 177.815 175.900 0.178 0.000 1.176 326 Y CA 1.074 59.294 58.100 0.200 0.000 1.229 326 Y CB -0.641 37.966 38.460 0.246 0.000 0.975 326 Y HN -0.050 nan 8.280 nan 0.000 0.537 327 K N 0.335 120.499 120.400 -0.393 0.000 2.148 327 K HA -0.107 4.213 4.320 0.001 0.000 0.204 327 K C 2.193 178.830 176.600 0.061 0.000 1.050 327 K CA 1.553 57.710 56.287 -0.216 0.000 0.942 327 K CB -0.120 32.206 32.500 -0.291 0.000 0.724 327 K HN 0.580 nan 8.250 nan 0.000 0.446 328 S N -0.677 115.081 115.700 0.097 0.000 2.554 328 S HA 0.013 4.483 4.470 0.001 0.000 0.227 328 S C 0.449 175.223 174.600 0.290 0.000 1.050 328 S CA -0.282 58.028 58.200 0.182 0.000 0.927 328 S CB 0.161 63.342 63.200 -0.033 0.000 0.859 328 S HN 0.247 nan 8.310 nan 0.000 0.494 329 N N 2.836 121.688 118.700 0.253 0.000 2.667 329 N HA -0.080 4.660 4.740 0.001 0.000 0.263 329 N C -1.582 174.119 175.510 0.317 0.000 1.038 329 N CA 0.958 54.187 53.050 0.299 0.000 0.749 329 N CB -0.418 38.247 38.487 0.296 0.000 0.892 329 N HN 0.389 nan 8.380 nan 0.000 0.546 330 P HA -0.114 nan 4.420 nan 0.000 0.215 330 P C 1.536 179.017 177.300 0.302 0.000 1.153 330 P CA 1.835 65.028 63.100 0.155 0.000 0.853 330 P CB -0.267 31.417 31.700 -0.028 0.000 0.788 331 G N -0.557 108.435 108.800 0.320 0.000 2.450 331 G HA2 -0.302 3.658 3.960 0.001 0.000 0.220 331 G HA3 -0.302 3.658 3.960 0.001 0.000 0.220 331 G C 1.606 176.767 174.900 0.434 0.000 1.130 331 G CA 1.165 46.517 45.100 0.420 0.000 0.760 331 G HN 0.357 nan 8.290 nan 0.000 0.557 332 H N -1.062 118.183 119.070 0.292 0.000 2.389 332 H HA -0.085 4.472 4.556 0.001 0.000 0.299 332 H C 2.037 177.545 175.328 0.301 0.000 1.081 332 H CA 1.474 57.669 56.048 0.245 0.000 1.345 332 H CB -0.334 29.537 29.762 0.182 0.000 1.393 332 H HN 0.420 nan 8.280 nan 0.000 0.520 333 Y N 0.251 120.656 120.300 0.175 0.000 2.200 333 Y HA -0.129 4.421 4.550 0.001 0.000 0.290 333 Y C 1.866 177.856 175.900 0.150 0.000 1.137 333 Y CA 1.672 59.851 58.100 0.131 0.000 1.163 333 Y CB -0.197 38.404 38.460 0.234 0.000 0.988 333 Y HN 0.214 nan 8.280 nan 0.000 0.518 334 L N -0.447 120.981 121.223 0.341 0.000 2.179 334 L HA 0.007 4.348 4.340 0.001 0.000 0.208 334 L C 2.727 179.774 176.870 0.296 0.000 1.096 334 L CA 0.822 55.807 54.840 0.242 0.000 0.779 334 L CB -1.045 41.148 42.059 0.223 0.000 0.922 334 L HN 0.393 nan 8.230 nan 0.000 0.443 335 G N -0.420 108.587 108.800 0.344 0.000 2.446 335 G HA2 -0.380 3.580 3.960 0.001 0.000 0.217 335 G HA3 -0.380 3.580 3.960 0.001 0.000 0.217 335 G C 1.377 176.318 174.900 0.070 0.000 1.168 335 G CA 1.296 46.509 45.100 0.188 0.000 0.771 335 G HN 0.468 nan 8.290 nan 0.000 0.551 336 H N -0.291 118.697 119.070 -0.136 0.000 2.387 336 H HA 0.012 4.568 4.556 0.001 0.000 0.299 336 H C 2.308 177.648 175.328 0.019 0.000 1.099 336 H CA 1.340 57.322 56.048 -0.110 0.000 1.315 336 H CB -0.088 29.523 29.762 -0.251 0.000 1.380 336 H HN 0.240 nan 8.280 nan 0.000 0.513 337 L N 0.145 121.314 121.223 -0.090 0.000 2.049 337 L HA 0.007 4.347 4.340 0.001 0.000 0.203 337 L C 2.485 179.362 176.870 0.011 0.000 1.074 337 L CA 1.275 56.070 54.840 -0.076 0.000 0.749 337 L CB -0.857 41.158 42.059 -0.074 0.000 0.907 337 L HN 0.409 nan 8.230 nan 0.000 0.439 338 I N -0.677 119.926 120.570 0.055 0.000 2.361 338 I HA -0.206 3.965 4.170 0.001 0.000 0.251 338 I C 2.044 178.040 176.117 -0.202 0.000 1.133 338 I CA 1.381 62.634 61.300 -0.077 0.000 1.413 338 I CB -0.558 37.521 38.000 0.132 0.000 1.073 338 I HN 0.348 nan 8.210 nan 0.000 0.424 339 G N -1.344 107.393 108.800 -0.106 0.000 3.042 339 G HA2 -0.048 3.912 3.960 0.001 0.000 0.212 339 G HA3 -0.048 3.912 3.960 0.001 0.000 0.212 339 G C 0.643 175.411 174.900 -0.221 0.000 1.166 339 G CA -0.236 44.781 45.100 -0.139 0.000 0.767 339 G HN 0.301 nan 8.290 nan 0.000 0.546 340 H N 0.711 119.592 119.070 -0.314 0.000 2.929 340 H HA 0.071 4.627 4.556 0.001 0.000 0.358 340 H C 0.406 175.403 175.328 -0.551 0.000 1.111 340 H CA 0.956 56.775 56.048 -0.383 0.000 1.409 340 H CB 0.892 30.494 29.762 -0.267 0.000 1.373 340 H HN 0.282 nan 8.280 nan 0.000 0.610 341 E N 1.915 121.393 120.200 -1.203 0.000 2.601 341 E HA 0.156 4.506 4.350 0.001 0.000 0.219 341 E C 0.843 177.255 176.600 -0.314 0.000 0.964 341 E CA -0.239 55.670 56.400 -0.817 0.000 1.050 341 E CB 1.048 30.021 29.700 -1.212 0.000 1.068 341 E HN 0.681 nan 8.360 nan 0.000 0.496 342 G N 2.395 111.185 108.800 -0.017 0.000 2.563 342 G HA2 0.256 4.216 3.960 0.001 0.000 0.283 342 G HA3 0.256 4.216 3.960 0.001 0.000 0.283 342 G C -2.591 172.429 174.900 0.200 0.000 1.309 342 G CA -1.111 44.120 45.100 0.219 0.000 1.022 342 G HN -0.175 nan 8.290 nan 0.000 0.501 343 P HA 0.176 nan 4.420 nan 0.000 0.264 343 P C 0.899 178.294 177.300 0.159 0.000 1.183 343 P CA 1.745 64.931 63.100 0.143 0.000 0.763 343 P CB 0.896 32.675 31.700 0.130 0.000 0.807 344 G N 1.644 110.539 108.800 0.159 0.000 2.225 344 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 344 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 344 G C 0.433 175.556 174.900 0.371 0.000 0.988 344 G CA 0.284 45.519 45.100 0.225 0.000 0.625 344 G HN 0.788 nan 8.290 nan 0.000 0.527 345 S N 0.349 116.208 115.700 0.266 0.000 2.584 345 S HA 0.506 4.977 4.470 0.001 0.000 0.270 345 S C 1.590 176.322 174.600 0.219 0.000 1.346 345 S CA 0.236 58.544 58.200 0.181 0.000 1.018 345 S CB 1.548 64.760 63.200 0.021 0.000 0.899 345 S HN 1.239 nan 8.310 nan 0.000 0.542 346 L N 1.975 123.051 121.223 -0.245 0.000 2.021 346 L HA -0.128 4.213 4.340 0.001 0.000 0.215 346 L C 2.263 179.145 176.870 0.020 0.000 1.074 346 L CA 1.734 56.458 54.840 -0.194 0.000 0.760 346 L CB -0.983 40.630 42.059 -0.743 0.000 0.889 346 L HN 0.904 nan 8.230 nan 0.000 0.433 347 L N -1.264 119.898 121.223 -0.102 0.000 1.978 347 L HA -0.341 4.000 4.340 0.001 0.000 0.218 347 L C 2.538 179.409 176.870 0.002 0.000 1.075 347 L CA 2.206 57.006 54.840 -0.067 0.000 0.767 347 L CB -0.554 41.422 42.059 -0.138 0.000 0.890 347 L HN 0.385 nan 8.230 nan 0.000 0.434 348 S N -0.633 115.083 115.700 0.026 0.000 2.374 348 S HA -0.264 4.207 4.470 0.001 0.000 0.227 348 S C 1.701 176.315 174.600 0.023 0.000 1.037 348 S CA 1.818 60.036 58.200 0.030 0.000 1.024 348 S CB -0.202 63.032 63.200 0.057 0.000 0.861 348 S HN 0.440 nan 8.310 nan 0.000 0.456 349 E N 1.383 121.636 120.200 0.089 0.000 2.046 349 E HA 0.001 4.352 4.350 0.001 0.000 0.190 349 E C 1.901 178.462 176.600 -0.065 0.000 0.982 349 E CA 0.973 57.379 56.400 0.010 0.000 0.800 349 E CB -0.449 29.260 29.700 0.014 0.000 0.756 349 E HN 0.473 nan 8.360 nan 0.000 0.449 350 L N 0.296 121.535 121.223 0.027 0.000 2.127 350 L HA -0.163 4.177 4.340 0.001 0.000 0.211 350 L C 2.645 179.472 176.870 -0.073 0.000 1.089 350 L CA 1.348 56.183 54.840 -0.009 0.000 0.757 350 L CB -0.402 41.720 42.059 0.105 0.000 0.899 350 L HN 0.113 nan 8.230 nan 0.000 0.434 351 K N -0.303 120.066 120.400 -0.052 0.000 2.025 351 K HA -0.112 4.208 4.320 0.001 0.000 0.207 351 K C 2.330 178.860 176.600 -0.117 0.000 1.049 351 K CA 1.484 57.737 56.287 -0.056 0.000 0.933 351 K CB 0.022 32.503 32.500 -0.032 0.000 0.714 351 K HN 0.128 nan 8.250 nan 0.000 0.438 352 S N 0.997 116.613 115.700 -0.140 0.000 2.399 352 S HA -0.075 4.396 4.470 0.001 0.000 0.231 352 S C 1.458 175.891 174.600 -0.279 0.000 1.022 352 S CA 1.120 59.221 58.200 -0.164 0.000 0.983 352 S CB -0.010 63.104 63.200 -0.144 0.000 0.803 352 S HN 0.256 nan 8.310 nan 0.000 0.480 353 K N 0.361 120.475 120.400 -0.475 0.000 2.486 353 K HA 0.080 4.401 4.320 0.001 0.000 0.194 353 K C 1.239 177.380 176.600 -0.764 0.000 1.033 353 K CA 0.563 56.344 56.287 -0.842 0.000 1.004 353 K CB -0.136 31.391 32.500 -1.621 0.000 0.798 353 K HN 0.463 nan 8.250 nan 0.000 0.495 354 G N 0.969 109.552 108.800 -0.362 0.000 2.160 354 G HA2 -0.190 3.770 3.960 0.001 0.000 0.251 354 G HA3 -0.190 3.770 3.960 0.001 0.000 0.251 354 G C 0.317 175.284 174.900 0.111 0.000 1.008 354 G CA 0.169 45.202 45.100 -0.112 0.000 0.724 354 G HN 0.290 nan 8.290 nan 0.000 0.514 355 W N -0.805 120.454 121.300 -0.068 0.000 2.630 355 W HA 0.502 5.162 4.660 0.001 0.000 0.271 355 W C 1.231 177.726 176.519 -0.040 0.000 1.244 355 W CA 0.740 58.051 57.345 -0.056 0.000 1.353 355 W CB -0.311 29.099 29.460 -0.082 0.000 1.080 355 W HN 0.816 nan 8.180 nan 0.000 0.594 356 V N -1.437 118.583 119.914 0.176 0.000 3.087 356 V HA 0.494 4.614 4.120 0.001 0.000 0.306 356 V C 0.241 176.355 176.094 0.035 0.000 1.187 356 V CA -0.812 61.536 62.300 0.080 0.000 0.999 356 V CB 1.966 33.822 31.823 0.054 0.000 1.049 356 V HN -0.070 nan 8.190 nan 0.000 0.431 357 N N 1.323 120.032 118.700 0.014 0.000 2.454 357 N HA 0.134 4.874 4.740 0.001 0.000 0.177 357 N C 0.585 176.083 175.510 -0.021 0.000 1.049 357 N CA 1.234 54.284 53.050 0.000 0.000 0.887 357 N CB 0.840 39.332 38.487 0.008 0.000 1.095 357 N HN 1.027 nan 8.380 nan 0.000 0.446 358 T N -1.296 113.238 114.554 -0.033 0.000 2.903 358 T HA 0.687 5.038 4.350 0.001 0.000 0.299 358 T C -0.867 173.790 174.700 -0.071 0.000 1.093 358 T CA -0.819 61.250 62.100 -0.052 0.000 1.002 358 T CB 2.425 71.268 68.868 -0.041 0.000 1.127 358 T HN 0.016 nan 8.240 nan 0.000 0.488 359 L N 1.906 123.075 121.223 -0.090 0.000 2.455 359 L HA 0.837 5.177 4.340 0.001 0.000 0.264 359 L C -1.777 175.033 176.870 -0.100 0.000 0.968 359 L CA -0.887 53.891 54.840 -0.104 0.000 0.827 359 L CB 1.951 43.938 42.059 -0.120 0.000 1.317 359 L HN 0.741 nan 8.230 nan 0.000 0.407 360 V N 2.862 122.723 119.914 -0.089 0.000 2.604 360 V HA 0.940 5.060 4.120 0.001 0.000 0.305 360 V C 0.244 176.286 176.094 -0.086 0.000 1.043 360 V CA -0.238 62.017 62.300 -0.075 0.000 0.888 360 V CB 1.414 33.204 31.823 -0.056 0.000 0.995 360 V HN 0.899 nan 8.190 nan 0.000 0.429 361 G N 0.777 109.520 108.800 -0.095 0.000 2.612 361 G HA2 0.900 4.860 3.960 0.001 0.000 0.298 361 G HA3 0.900 4.860 3.960 0.001 0.000 0.298 361 G C -0.300 174.465 174.900 -0.226 0.000 1.336 361 G CA -0.059 44.962 45.100 -0.132 0.000 0.953 361 G HN 1.468 nan 8.290 nan 0.000 0.482 362 G N -0.424 108.012 108.800 -0.606 0.000 2.302 362 G HA2 0.444 4.404 3.960 0.001 0.000 0.264 362 G HA3 0.444 4.404 3.960 0.001 0.000 0.264 362 G C -0.823 173.521 174.900 -0.927 0.000 1.335 362 G CA -0.077 44.591 45.100 -0.721 0.000 0.982 362 G HN 1.178 nan 8.290 nan 0.000 0.473 363 Q N -0.229 119.384 119.800 -0.312 0.000 2.222 363 Q HA 0.741 5.081 4.340 0.001 0.000 0.252 363 Q C -0.551 175.462 176.000 0.021 0.000 0.926 363 Q CA -0.739 55.033 55.803 -0.052 0.000 0.899 363 Q CB 2.367 31.213 28.738 0.179 0.000 1.250 363 Q HN 0.664 nan 8.270 nan 0.000 0.441 364 K N 1.793 122.274 120.400 0.134 0.000 2.468 364 K HA 0.262 4.583 4.320 0.001 0.000 0.252 364 K C -1.080 175.666 176.600 0.244 0.000 0.932 364 K CA -0.483 55.900 56.287 0.160 0.000 0.794 364 K CB 2.152 34.744 32.500 0.153 0.000 1.241 364 K HN 0.726 nan 8.250 nan 0.000 0.428 365 E N 1.264 121.557 120.200 0.155 0.000 2.398 365 E HA 0.092 4.443 4.350 0.001 0.000 0.263 365 E C 0.251 176.957 176.600 0.176 0.000 1.046 365 E CA 0.292 56.752 56.400 0.101 0.000 0.908 365 E CB 1.181 30.907 29.700 0.042 0.000 0.963 365 E HN 0.813 nan 8.360 nan 0.000 0.431 366 G N 1.325 110.069 108.800 -0.093 0.000 2.463 366 G HA2 0.594 4.554 3.960 0.001 0.000 0.211 366 G HA3 0.594 4.554 3.960 0.001 0.000 0.211 366 G C -0.429 174.078 174.900 -0.656 0.000 1.881 366 G CA 0.645 45.561 45.100 -0.307 0.000 0.722 366 G HN 0.655 nan 8.290 nan 0.000 0.709 367 A N -1.157 120.850 122.820 -1.355 0.000 2.529 367 A HA 0.700 5.020 4.320 0.001 0.000 0.296 367 A C -0.781 176.587 177.584 -0.360 0.000 1.205 367 A CA -0.714 50.991 52.037 -0.555 0.000 0.671 367 A CB 0.418 19.179 19.000 -0.398 0.000 1.301 367 A HN 0.233 nan 8.150 nan 0.000 0.450 368 R N 0.105 120.645 120.500 0.068 0.000 2.488 368 R HA 0.308 4.648 4.340 0.001 0.000 0.317 368 R C 1.106 177.494 176.300 0.147 0.000 0.941 368 R CA 1.465 57.635 56.100 0.116 0.000 1.076 368 R CB -0.475 29.904 30.300 0.132 0.000 0.917 368 R HN 1.896 nan 8.270 nan 0.000 0.407 369 G N 2.500 111.342 108.800 0.070 0.000 2.307 369 G HA2 -0.240 3.720 3.960 0.001 0.000 0.210 369 G HA3 -0.240 3.720 3.960 0.001 0.000 0.210 369 G C -0.210 174.807 174.900 0.195 0.000 1.005 369 G CA 0.022 45.221 45.100 0.166 0.000 0.634 369 G HN 0.629 nan 8.290 nan 0.000 0.496 370 F N -1.042 118.835 119.950 -0.121 0.000 2.641 370 F HA 0.885 5.413 4.527 0.001 0.000 0.308 370 F C -0.700 174.848 175.800 -0.421 0.000 1.105 370 F CA -1.594 56.189 58.000 -0.363 0.000 0.964 370 F CB 1.063 39.533 39.000 -0.882 0.000 1.294 370 F HN 0.154 nan 8.300 nan 0.000 0.442 371 M N 1.728 121.157 119.600 -0.286 0.000 2.779 371 M HA 0.678 5.158 4.480 0.001 0.000 0.277 371 M C -1.857 174.206 176.300 -0.395 0.000 1.284 371 M CA -0.657 54.474 55.300 -0.282 0.000 0.801 371 M CB 3.061 35.663 32.600 0.003 0.000 1.712 371 M HN 0.650 nan 8.290 nan 0.000 0.453 372 F N -0.184 119.912 119.950 0.243 0.000 2.603 372 F HA 0.640 5.167 4.527 0.001 0.000 0.317 372 F C -1.042 174.948 175.800 0.315 0.000 1.066 372 F CA -0.738 57.449 58.000 0.313 0.000 0.941 372 F CB 1.404 40.562 39.000 0.262 0.000 1.291 372 F HN 0.258 nan 8.300 nan 0.000 0.472 373 F N 3.618 123.851 119.950 0.472 0.000 2.493 373 F HA 0.756 5.284 4.527 0.001 0.000 0.329 373 F C -0.626 175.423 175.800 0.414 0.000 1.126 373 F CA -1.152 57.079 58.000 0.385 0.000 0.937 373 F CB 1.089 40.285 39.000 0.328 0.000 1.146 373 F HN 0.395 nan 8.300 nan 0.000 0.442 374 I N 3.898 124.451 120.570 -0.029 0.000 2.846 374 I HA 0.723 4.893 4.170 0.001 0.000 0.307 374 I C -1.509 174.625 176.117 0.029 0.000 1.053 374 I CA -0.971 60.379 61.300 0.083 0.000 1.050 374 I CB 2.523 40.541 38.000 0.030 0.000 1.239 374 I HN 0.451 nan 8.210 nan 0.000 0.439 375 I N 3.616 124.229 120.570 0.073 0.000 2.529 375 I HA 0.400 4.570 4.170 0.001 0.000 0.284 375 I C -1.297 174.789 176.117 -0.052 0.000 1.088 375 I CA -0.444 60.864 61.300 0.012 0.000 1.062 375 I CB 1.627 39.654 38.000 0.045 0.000 1.218 375 I HN 0.557 nan 8.210 nan 0.000 0.442 376 N N 5.809 124.458 118.700 -0.086 0.000 2.284 376 N HA 0.709 5.449 4.740 0.001 0.000 0.300 376 N C -0.814 174.578 175.510 -0.197 0.000 1.047 376 N CA -0.504 52.436 53.050 -0.182 0.000 0.821 376 N CB 2.956 41.351 38.487 -0.153 0.000 1.337 376 N HN 0.378 nan 8.380 nan 0.000 0.482 377 V N -1.811 117.952 119.914 -0.251 0.000 3.040 377 V HA 0.655 4.775 4.120 0.001 0.000 0.312 377 V C -0.325 175.655 176.094 -0.190 0.000 1.115 377 V CA -1.087 61.111 62.300 -0.169 0.000 0.998 377 V CB 2.158 33.919 31.823 -0.103 0.000 1.042 377 V HN 0.645 nan 8.190 nan 0.000 0.433 378 D N 2.133 122.465 120.400 -0.113 0.000 2.387 378 D HA 0.526 5.167 4.640 0.001 0.000 0.251 378 D C -0.639 175.635 176.300 -0.043 0.000 1.141 378 D CA -0.521 53.430 54.000 -0.082 0.000 0.987 378 D CB 1.893 42.668 40.800 -0.042 0.000 1.116 378 D HN 0.631 nan 8.370 nan 0.000 0.491 379 L N 0.310 121.520 121.223 -0.023 0.000 2.386 379 L HA 0.328 4.668 4.340 0.001 0.000 0.271 379 L C 0.708 177.592 176.870 0.024 0.000 0.993 379 L CA -0.919 53.924 54.840 0.004 0.000 0.819 379 L CB 2.164 44.215 42.059 -0.014 0.000 1.294 379 L HN 0.598 nan 8.230 nan 0.000 0.414 380 T N -2.413 112.177 114.554 0.059 0.000 2.754 380 T HA 0.175 4.526 4.350 0.001 0.000 0.286 380 T C 0.923 175.656 174.700 0.054 0.000 0.997 380 T CA -0.526 61.612 62.100 0.064 0.000 0.982 380 T CB 0.943 69.873 68.868 0.104 0.000 1.027 380 T HN 0.667 nan 8.240 nan 0.000 0.529 381 E N 0.305 120.534 120.200 0.049 0.000 2.058 381 E HA -0.173 4.177 4.350 0.001 0.000 0.194 381 E C 2.210 178.848 176.600 0.063 0.000 0.997 381 E CA 1.089 57.511 56.400 0.036 0.000 0.801 381 E CB -0.088 29.630 29.700 0.030 0.000 0.746 381 E HN 0.614 nan 8.360 nan 0.000 0.450 382 E N 0.453 120.724 120.200 0.118 0.000 2.058 382 E HA -0.164 4.186 4.350 0.001 0.000 0.194 382 E C 2.273 178.963 176.600 0.150 0.000 0.997 382 E CA 1.218 57.735 56.400 0.195 0.000 0.801 382 E CB -0.628 29.238 29.700 0.277 0.000 0.746 382 E HN 0.389 nan 8.360 nan 0.000 0.450 383 G N 1.595 110.464 108.800 0.114 0.000 2.476 383 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 383 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 383 G C 1.618 176.460 174.900 -0.097 0.000 1.164 383 G CA 1.014 46.090 45.100 -0.040 0.000 0.768 383 G HN 0.268 nan 8.290 nan 0.000 0.560 384 L N 0.459 121.660 121.223 -0.036 0.000 2.079 384 L HA 0.023 4.364 4.340 0.001 0.000 0.210 384 L C 2.529 179.358 176.870 -0.070 0.000 1.081 384 L CA 1.426 56.237 54.840 -0.048 0.000 0.752 384 L CB -0.339 41.687 42.059 -0.056 0.000 0.896 384 L HN 0.259 nan 8.230 nan 0.000 0.433 385 L N -1.767 119.417 121.223 -0.066 0.000 2.478 385 L HA -0.059 4.281 4.340 0.001 0.000 0.223 385 L C 0.761 177.393 176.870 -0.397 0.000 1.140 385 L CA 0.341 55.086 54.840 -0.158 0.000 0.842 385 L CB -0.431 41.558 42.059 -0.117 0.000 0.953 385 L HN 0.306 nan 8.230 nan 0.000 0.452 386 H N -2.053 116.796 119.070 -0.368 0.000 2.467 386 H HA 0.170 4.727 4.556 0.001 0.000 0.275 386 H C 1.453 176.480 175.328 -0.502 0.000 1.131 386 H CA -0.257 55.436 56.048 -0.592 0.000 0.989 386 H CB 0.380 29.330 29.762 -1.352 0.000 1.696 386 H HN -0.124 nan 8.280 nan 0.000 0.574 387 V N 0.264 120.074 119.914 -0.172 0.000 2.252 387 V HA -0.321 3.799 4.120 0.001 0.000 0.249 387 V C 2.416 178.558 176.094 0.079 0.000 1.056 387 V CA 2.407 64.681 62.300 -0.044 0.000 1.022 387 V CB -0.128 31.719 31.823 0.040 0.000 0.641 387 V HN 0.624 nan 8.190 nan 0.000 0.445 388 E N -0.430 119.857 120.200 0.145 0.000 2.153 388 E HA -0.267 4.084 4.350 0.001 0.000 0.194 388 E C 1.810 178.643 176.600 0.388 0.000 0.988 388 E CA 1.501 58.126 56.400 0.375 0.000 0.811 388 E CB -0.045 29.787 29.700 0.220 0.000 0.746 388 E HN 0.625 nan 8.360 nan 0.000 0.466 389 D N 0.207 120.694 120.400 0.146 0.000 2.123 389 D HA -0.092 4.548 4.640 0.001 0.000 0.200 389 D C 2.025 178.477 176.300 0.254 0.000 0.976 389 D CA 0.690 54.820 54.000 0.217 0.000 0.831 389 D CB -0.154 40.633 40.800 -0.022 0.000 0.974 389 D HN 0.270 nan 8.370 nan 0.000 0.469 390 I N 0.838 121.390 120.570 -0.030 0.000 2.194 390 I HA -0.260 3.910 4.170 0.001 0.000 0.246 390 I C 2.312 178.490 176.117 0.102 0.000 1.093 390 I CA 0.927 62.264 61.300 0.061 0.000 1.355 390 I CB -0.111 37.871 38.000 -0.028 0.000 1.046 390 I HN -0.030 nan 8.210 nan 0.000 0.413 391 I N -0.323 120.263 120.570 0.028 0.000 2.353 391 I HA -0.254 3.917 4.170 0.001 0.000 0.248 391 I C 2.414 178.423 176.117 -0.180 0.000 1.119 391 I CA 0.740 61.890 61.300 -0.249 0.000 1.417 391 I CB -0.223 37.446 38.000 -0.552 0.000 1.078 391 I HN 0.223 nan 8.210 nan 0.000 0.421 392 L N 0.607 121.949 121.223 0.198 0.000 2.043 392 L HA -0.286 4.054 4.340 0.001 0.000 0.212 392 L C 2.550 179.644 176.870 0.373 0.000 1.075 392 L CA 2.091 57.183 54.840 0.420 0.000 0.752 392 L CB -0.905 41.492 42.059 0.563 0.000 0.891 392 L HN 0.294 nan 8.230 nan 0.000 0.432 393 H N -1.570 117.659 119.070 0.265 0.000 2.423 393 H HA -0.103 4.453 4.556 0.001 0.000 0.297 393 H C 2.213 177.619 175.328 0.130 0.000 1.075 393 H CA 1.570 57.818 56.048 0.334 0.000 1.342 393 H CB 0.026 30.064 29.762 0.461 0.000 1.395 393 H HN 0.404 nan 8.280 nan 0.000 0.530 394 M N 0.029 119.665 119.600 0.060 0.000 2.080 394 M HA -0.175 4.305 4.480 0.001 0.000 0.260 394 M C 1.913 178.097 176.300 -0.193 0.000 1.068 394 M CA 1.745 56.937 55.300 -0.181 0.000 1.109 394 M CB -0.328 32.034 32.600 -0.397 0.000 1.342 394 M HN 0.132 nan 8.290 nan 0.000 0.405 395 F N 0.225 120.187 119.950 0.020 0.000 2.234 395 F HA -0.206 4.322 4.527 0.001 0.000 0.299 395 F C 2.540 178.370 175.800 0.049 0.000 1.087 395 F CA 1.112 59.130 58.000 0.031 0.000 1.340 395 F CB -0.440 38.581 39.000 0.036 0.000 1.031 395 F HN 0.209 nan 8.300 nan 0.000 0.500 396 Q N -0.899 119.045 119.800 0.240 0.000 2.084 396 Q HA -0.247 4.094 4.340 0.001 0.000 0.202 396 Q C 1.998 178.041 176.000 0.072 0.000 0.978 396 Q CA 1.871 57.793 55.803 0.197 0.000 0.844 396 Q CB -0.496 28.415 28.738 0.289 0.000 0.898 396 Q HN 0.551 nan 8.270 nan 0.000 0.426 397 Y N 0.958 121.091 120.300 -0.279 0.000 2.200 397 Y HA -0.199 4.352 4.550 0.001 0.000 0.290 397 Y C 1.883 177.654 175.900 -0.215 0.000 1.137 397 Y CA 1.270 59.058 58.100 -0.520 0.000 1.163 397 Y CB 0.003 37.913 38.460 -0.917 0.000 0.988 397 Y HN 0.020 nan 8.280 nan 0.000 0.518 398 I N 0.111 120.694 120.570 0.022 0.000 2.264 398 I HA -0.319 3.851 4.170 0.001 0.000 0.248 398 I C 2.330 178.416 176.117 -0.051 0.000 1.111 398 I CA 1.697 62.995 61.300 -0.003 0.000 1.382 398 I CB -0.322 37.695 38.000 0.028 0.000 1.060 398 I HN 0.278 nan 8.210 nan 0.000 0.418 399 Q N 1.360 121.157 119.800 -0.004 0.000 2.230 399 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 399 Q C 1.955 177.929 176.000 -0.043 0.000 0.963 399 Q CA 1.509 57.318 55.803 0.009 0.000 0.866 399 Q CB -0.110 28.668 28.738 0.067 0.000 0.931 399 Q HN 0.203 nan 8.270 nan 0.000 0.452 400 K N -0.244 120.088 120.400 -0.113 0.000 2.211 400 K HA -0.033 4.287 4.320 0.001 0.000 0.203 400 K C 1.601 178.103 176.600 -0.164 0.000 1.050 400 K CA 1.168 57.370 56.287 -0.141 0.000 0.945 400 K CB -0.280 32.091 32.500 -0.214 0.000 0.732 400 K HN 0.362 nan 8.250 nan 0.000 0.451 401 L N -0.135 120.962 121.223 -0.212 0.000 2.109 401 L HA -0.029 4.312 4.340 0.001 0.000 0.207 401 L C 2.561 179.405 176.870 -0.042 0.000 1.086 401 L CA 1.015 55.782 54.840 -0.123 0.000 0.760 401 L CB -0.352 41.643 42.059 -0.106 0.000 0.910 401 L HN 0.148 nan 8.230 nan 0.000 0.437 402 R N 0.139 120.613 120.500 -0.044 0.000 2.083 402 R HA -0.180 4.160 4.340 0.001 0.000 0.237 402 R C 2.397 178.690 176.300 -0.011 0.000 1.137 402 R CA 1.625 57.711 56.100 -0.024 0.000 0.951 402 R CB -0.463 29.824 30.300 -0.021 0.000 0.851 402 R HN 0.357 nan 8.270 nan 0.000 0.434 403 A N 1.008 123.820 122.820 -0.013 0.000 1.930 403 A HA -0.121 4.199 4.320 0.001 0.000 0.217 403 A C 1.760 179.350 177.584 0.011 0.000 1.175 403 A CA 1.163 53.200 52.037 0.001 0.000 0.627 403 A CB -0.109 18.892 19.000 0.003 0.000 0.815 403 A HN 0.187 nan 8.150 nan 0.000 0.443 404 E N -0.451 119.756 120.200 0.012 0.000 2.358 404 E HA 0.199 4.549 4.350 0.001 0.000 0.195 404 E C 1.251 177.886 176.600 0.058 0.000 1.010 404 E CA 0.610 57.033 56.400 0.040 0.000 0.856 404 E CB -0.653 29.076 29.700 0.048 0.000 0.795 404 E HN 0.695 nan 8.360 nan 0.000 0.504 405 G N 2.529 111.356 108.800 0.045 0.000 2.916 405 G HA2 -0.230 3.730 3.960 0.001 0.000 0.533 405 G HA3 -0.230 3.730 3.960 0.001 0.000 0.533 405 G C -2.562 172.404 174.900 0.110 0.000 1.516 405 G CA -0.724 44.408 45.100 0.054 0.000 0.944 405 G HN 0.013 nan 8.290 nan 0.000 0.555 406 P HA 0.180 nan 4.420 nan 0.000 0.266 406 P C -0.374 177.108 177.300 0.304 0.000 1.195 406 P CA 0.376 63.590 63.100 0.190 0.000 0.768 406 P CB 0.517 32.222 31.700 0.008 0.000 0.838 407 Q N 2.038 122.046 119.800 0.348 0.000 2.401 407 Q HA 0.108 4.449 4.340 0.001 0.000 0.260 407 Q C 0.752 176.659 176.000 -0.154 0.000 1.034 407 Q CA -0.258 55.619 55.803 0.123 0.000 0.737 407 Q CB 1.470 30.199 28.738 -0.015 0.000 1.227 407 Q HN 0.533 nan 8.270 nan 0.000 0.488 408 E N 3.697 123.679 120.200 -0.363 0.000 2.097 408 E HA -0.182 4.169 4.350 0.001 0.000 0.196 408 E C 1.423 177.827 176.600 -0.328 0.000 1.000 408 E CA 1.916 57.814 56.400 -0.838 0.000 0.804 408 E CB 0.132 29.462 29.700 -0.616 0.000 0.740 408 E HN 0.756 nan 8.360 nan 0.000 0.454 409 W N -0.006 121.233 121.300 -0.101 0.000 2.363 409 W HA -0.136 4.524 4.660 0.001 0.000 0.296 409 W C 1.478 178.007 176.519 0.017 0.000 1.212 409 W CA 0.592 57.920 57.345 -0.029 0.000 1.260 409 W CB -1.015 28.442 29.460 -0.005 0.000 1.131 409 W HN -0.077 nan 8.180 nan 0.000 0.530 410 V N 1.879 121.112 119.914 -1.135 0.000 2.261 410 V HA -0.335 3.785 4.120 0.001 0.000 0.246 410 V C 2.403 178.311 176.094 -0.310 0.000 1.047 410 V CA 2.597 64.329 62.300 -0.945 0.000 1.015 410 V CB -1.429 29.903 31.823 -0.820 0.000 0.642 410 V HN 0.172 nan 8.190 nan 0.000 0.446 411 F N 0.928 120.749 119.950 -0.215 0.000 2.095 411 F HA -0.283 4.245 4.527 0.001 0.000 0.298 411 F C 2.559 178.308 175.800 -0.085 0.000 1.104 411 F CA 2.370 60.339 58.000 -0.051 0.000 1.232 411 F CB -0.349 38.580 39.000 -0.117 0.000 0.987 411 F HN 0.137 nan 8.300 nan 0.000 0.475 412 Q N 0.870 120.664 119.800 -0.010 0.000 2.135 412 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 412 Q C 2.209 178.163 176.000 -0.077 0.000 0.981 412 Q CA 2.218 58.005 55.803 -0.026 0.000 0.856 412 Q CB -0.517 28.268 28.738 0.078 0.000 0.902 412 Q HN 0.676 nan 8.270 nan 0.000 0.425 413 E N -0.732 119.440 120.200 -0.046 0.000 2.047 413 E HA -0.157 4.193 4.350 0.001 0.000 0.191 413 E C 1.917 178.459 176.600 -0.097 0.000 0.987 413 E CA 1.056 57.453 56.400 -0.006 0.000 0.799 413 E CB -0.126 29.624 29.700 0.084 0.000 0.752 413 E HN 0.429 nan 8.360 nan 0.000 0.449 414 L N 0.920 122.011 121.223 -0.221 0.000 2.013 414 L HA -0.247 4.094 4.340 0.001 0.000 0.212 414 L C 2.790 179.534 176.870 -0.210 0.000 1.073 414 L CA 1.722 56.429 54.840 -0.223 0.000 0.753 414 L CB -0.591 41.318 42.059 -0.250 0.000 0.890 414 L HN 0.113 nan 8.230 nan 0.000 0.432 415 K N 0.207 120.390 120.400 -0.360 0.000 2.009 415 K HA -0.228 4.093 4.320 0.001 0.000 0.210 415 K C 1.774 178.310 176.600 -0.105 0.000 1.049 415 K CA 2.028 58.147 56.287 -0.279 0.000 0.929 415 K CB -0.078 32.207 32.500 -0.358 0.000 0.714 415 K HN 0.241 nan 8.250 nan 0.000 0.440 416 D N 0.563 120.926 120.400 -0.061 0.000 2.144 416 D HA -0.147 4.494 4.640 0.001 0.000 0.199 416 D C 1.894 178.210 176.300 0.027 0.000 0.984 416 D CA 0.721 54.720 54.000 -0.002 0.000 0.834 416 D CB -0.052 40.765 40.800 0.029 0.000 0.955 416 D HN 0.144 nan 8.370 nan 0.000 0.465 417 L N 1.166 122.410 121.223 0.034 0.000 2.056 417 L HA -0.087 4.254 4.340 0.001 0.000 0.207 417 L C 1.854 178.790 176.870 0.110 0.000 1.078 417 L CA 1.365 56.257 54.840 0.085 0.000 0.749 417 L CB -1.231 40.880 42.059 0.085 0.000 0.901 417 L HN -0.048 nan 8.230 nan 0.000 0.433 418 N N -0.123 118.622 118.700 0.075 0.000 2.120 418 N HA -0.130 4.610 4.740 0.001 0.000 0.188 418 N C 1.833 177.432 175.510 0.149 0.000 1.024 418 N CA 1.472 54.602 53.050 0.134 0.000 0.852 418 N CB -0.220 38.300 38.487 0.056 0.000 1.003 418 N HN 0.357 nan 8.380 nan 0.000 0.424 419 A N 0.227 123.079 122.820 0.054 0.000 1.902 419 A HA -0.088 4.232 4.320 0.001 0.000 0.217 419 A C 2.450 180.029 177.584 -0.008 0.000 1.181 419 A CA 1.390 53.440 52.037 0.022 0.000 0.623 419 A CB -0.811 18.176 19.000 -0.022 0.000 0.818 419 A HN 0.110 nan 8.150 nan 0.000 0.443 420 V N -0.161 119.747 119.914 -0.010 0.000 2.307 420 V HA -0.230 3.890 4.120 0.001 0.000 0.245 420 V C 3.084 179.229 176.094 0.085 0.000 1.045 420 V CA 1.883 64.139 62.300 -0.073 0.000 1.024 420 V CB -1.297 30.511 31.823 -0.026 0.000 0.651 420 V HN 0.624 nan 8.190 nan 0.000 0.449 421 A N -0.322 122.639 122.820 0.236 0.000 1.892 421 A HA -0.310 4.010 4.320 0.001 0.000 0.218 421 A C 2.136 179.783 177.584 0.104 0.000 1.188 421 A CA 2.418 54.644 52.037 0.315 0.000 0.631 421 A CB -0.844 18.390 19.000 0.390 0.000 0.822 421 A HN 0.535 nan 8.150 nan 0.000 0.447 422 F N 0.416 120.232 119.950 -0.222 0.000 2.134 422 F HA -0.139 4.388 4.527 0.001 0.000 0.299 422 F C 2.380 177.915 175.800 -0.441 0.000 1.097 422 F CA 1.960 59.592 58.000 -0.613 0.000 1.264 422 F CB -0.253 38.387 39.000 -0.599 0.000 1.001 422 F HN 0.239 nan 8.300 nan 0.000 0.479 423 R N -0.681 119.542 120.500 -0.461 0.000 2.092 423 R HA -0.145 4.196 4.340 0.001 0.000 0.231 423 R C 1.472 177.323 176.300 -0.747 0.000 1.119 423 R CA 1.784 57.440 56.100 -0.741 0.000 0.970 423 R CB -0.539 29.189 30.300 -0.953 0.000 0.864 423 R HN 0.384 nan 8.270 nan 0.000 0.440 424 F N 1.583 121.426 119.950 -0.179 0.000 2.664 424 F HA 0.171 4.698 4.527 0.001 0.000 0.303 424 F C 0.215 175.952 175.800 -0.105 0.000 1.092 424 F CA -0.890 57.059 58.000 -0.085 0.000 1.305 424 F CB 0.417 39.468 39.000 0.084 0.000 1.054 424 F HN -0.073 nan 8.300 nan 0.000 0.565 425 K N 0.483 120.835 120.400 -0.079 0.000 2.414 425 K HA 0.038 4.359 4.320 0.001 0.000 0.272 425 K C -0.480 176.056 176.600 -0.107 0.000 0.993 425 K CA -0.479 55.754 56.287 -0.089 0.000 0.964 425 K CB 0.490 32.895 32.500 -0.158 0.000 0.925 425 K HN -0.112 nan 8.250 nan 0.000 0.487 426 D N 1.855 122.186 120.400 -0.116 0.000 2.423 426 D HA -0.016 4.624 4.640 0.001 0.000 0.238 426 D C -0.185 176.006 176.300 -0.183 0.000 1.142 426 D CA 0.082 53.980 54.000 -0.169 0.000 0.884 426 D CB 0.720 41.397 40.800 -0.204 0.000 1.199 426 D HN 0.394 nan 8.370 nan 0.000 0.438 427 K N 1.717 122.007 120.400 -0.184 0.000 2.412 427 K HA -0.002 4.319 4.320 0.001 0.000 0.281 427 K C -0.253 176.206 176.600 -0.235 0.000 1.027 427 K CA -0.202 55.963 56.287 -0.203 0.000 0.989 427 K CB 0.469 32.902 32.500 -0.111 0.000 0.935 427 K HN 0.251 nan 8.250 nan 0.000 0.475 428 E N 2.458 122.452 120.200 -0.344 0.000 2.374 428 E HA 0.137 4.487 4.350 0.001 0.000 0.260 428 E C -0.480 176.012 176.600 -0.181 0.000 1.101 428 E CA -0.242 55.987 56.400 -0.285 0.000 0.907 428 E CB 0.567 30.005 29.700 -0.436 0.000 1.014 428 E HN 0.351 nan 8.360 nan 0.000 0.427 429 R N 2.522 122.968 120.500 -0.090 0.000 2.491 429 R HA 0.079 4.419 4.340 0.001 0.000 0.283 429 R C -1.624 174.686 176.300 0.016 0.000 1.072 429 R CA -1.061 55.020 56.100 -0.032 0.000 1.048 429 R CB 0.018 30.310 30.300 -0.012 0.000 0.983 429 R HN 0.421 nan 8.270 nan 0.000 0.450 430 P HA -0.262 nan 4.420 nan 0.000 0.216 430 P C 0.950 178.288 177.300 0.064 0.000 1.157 430 P CA 1.391 64.538 63.100 0.077 0.000 0.880 430 P CB 0.151 31.877 31.700 0.044 0.000 0.791 431 R N -0.582 119.938 120.500 0.033 0.000 2.081 431 R HA -0.082 4.259 4.340 0.001 0.000 0.235 431 R C 2.352 178.614 176.300 -0.064 0.000 1.131 431 R CA 1.989 58.098 56.100 0.015 0.000 0.960 431 R CB -1.174 29.182 30.300 0.093 0.000 0.856 431 R HN 0.181 nan 8.270 nan 0.000 0.436 432 G N -0.898 107.878 108.800 -0.040 0.000 2.421 432 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 432 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 432 G C 1.091 176.010 174.900 0.032 0.000 1.143 432 G CA 0.355 45.410 45.100 -0.075 0.000 0.784 432 G HN 0.335 nan 8.290 nan 0.000 0.541 433 Y N 2.692 122.951 120.300 -0.068 0.000 2.130 433 Y HA -0.159 4.391 4.550 0.001 0.000 0.287 433 Y C 3.244 179.127 175.900 -0.028 0.000 1.124 433 Y CA 1.954 60.036 58.100 -0.029 0.000 1.118 433 Y CB -0.857 37.599 38.460 -0.005 0.000 0.994 433 Y HN 0.284 nan 8.280 nan 0.000 0.497 434 T N -2.673 111.857 114.554 -0.040 0.000 2.699 434 T HA -0.256 4.094 4.350 0.001 0.000 0.268 434 T C 2.268 176.917 174.700 -0.085 0.000 1.036 434 T CA 1.884 63.910 62.100 -0.123 0.000 1.147 434 T CB -1.150 67.647 68.868 -0.118 0.000 0.862 434 T HN 0.329 nan 8.240 nan 0.000 0.446 435 S N 1.116 116.779 115.700 -0.061 0.000 2.355 435 S HA -0.111 4.359 4.470 0.001 0.000 0.222 435 S C 2.188 176.791 174.600 0.005 0.000 1.031 435 S CA 1.589 59.779 58.200 -0.016 0.000 0.993 435 S CB -0.494 62.578 63.200 -0.214 0.000 0.859 435 S HN 0.652 nan 8.310 nan 0.000 0.453 436 K N 0.255 120.640 120.400 -0.026 0.000 2.002 436 K HA -0.063 4.258 4.320 0.001 0.000 0.209 436 K C 2.040 178.619 176.600 -0.036 0.000 1.048 436 K CA 1.604 57.886 56.287 -0.007 0.000 0.930 436 K CB -0.288 32.219 32.500 0.012 0.000 0.714 436 K HN 0.343 nan 8.250 nan 0.000 0.438 437 I N 1.664 122.165 120.570 -0.115 0.000 2.163 437 I HA -0.239 3.931 4.170 0.001 0.000 0.243 437 I C 2.545 178.605 176.117 -0.096 0.000 1.085 437 I CA 1.546 62.759 61.300 -0.146 0.000 1.347 437 I CB -1.750 36.082 38.000 -0.280 0.000 1.044 437 I HN 0.217 nan 8.210 nan 0.000 0.408 438 A N 0.908 123.678 122.820 -0.082 0.000 1.978 438 A HA -0.129 4.191 4.320 0.001 0.000 0.220 438 A C 2.513 180.068 177.584 -0.050 0.000 1.170 438 A CA 1.944 53.934 52.037 -0.078 0.000 0.636 438 A CB -1.288 17.700 19.000 -0.021 0.000 0.810 438 A HN 0.463 nan 8.150 nan 0.000 0.448 439 G N 0.141 108.945 108.800 0.006 0.000 2.394 439 G HA2 -0.122 3.839 3.960 0.001 0.000 0.214 439 G HA3 -0.122 3.839 3.960 0.001 0.000 0.214 439 G C 1.453 176.420 174.900 0.112 0.000 1.176 439 G CA 0.965 46.076 45.100 0.019 0.000 0.786 439 G HN 0.652 nan 8.290 nan 0.000 0.533 440 I N 0.332 120.957 120.570 0.092 0.000 3.001 440 I HA 0.136 4.306 4.170 0.001 0.000 0.268 440 I C 2.030 178.278 176.117 0.217 0.000 1.267 440 I CA 0.804 62.240 61.300 0.227 0.000 1.472 440 I CB -0.741 37.389 38.000 0.216 0.000 1.089 440 I HN 0.125 nan 8.210 nan 0.000 0.468 441 L N 0.653 121.879 121.223 0.006 0.000 2.353 441 L HA -0.147 4.193 4.340 0.001 0.000 0.220 441 L C 2.349 179.122 176.870 -0.163 0.000 1.133 441 L CA 0.654 55.436 54.840 -0.096 0.000 0.798 441 L CB -0.762 41.170 42.059 -0.213 0.000 0.922 441 L HN 0.338 nan 8.230 nan 0.000 0.445 442 H N -2.143 116.904 119.070 -0.038 0.000 2.551 442 H HA -0.007 4.549 4.556 0.001 0.000 0.266 442 H C 0.990 176.033 175.328 -0.476 0.000 0.977 442 H CA 0.916 56.832 56.048 -0.220 0.000 1.163 442 H CB 0.369 29.959 29.762 -0.287 0.000 1.381 442 H HN 0.399 nan 8.280 nan 0.000 0.581 443 Y N -1.611 118.583 120.300 -0.176 0.000 2.426 443 Y HA 0.148 4.698 4.550 0.001 0.000 0.249 443 Y C -0.262 175.089 175.900 -0.915 0.000 1.103 443 Y CA -0.224 57.527 58.100 -0.581 0.000 1.256 443 Y CB 0.820 38.734 38.460 -0.909 0.000 1.208 443 Y HN -0.069 nan 8.280 nan 0.000 0.519 444 Y N -0.151 120.158 120.300 0.016 0.000 2.492 444 Y HA 0.506 5.057 4.550 0.001 0.000 0.346 444 Y C -2.487 173.399 175.900 -0.023 0.000 0.997 444 Y CA -3.961 54.106 58.100 -0.054 0.000 1.025 444 Y CB 0.792 39.179 38.460 -0.121 0.000 1.263 444 Y HN -0.219 nan 8.280 nan 0.000 0.454 445 P HA 0.066 nan 4.420 nan 0.000 0.266 445 P C 0.847 178.189 177.300 0.071 0.000 1.193 445 P CA 0.166 63.320 63.100 0.090 0.000 0.770 445 P CB 0.763 32.521 31.700 0.096 0.000 0.836 446 L N 1.519 122.763 121.223 0.035 0.000 2.123 446 L HA -0.283 4.057 4.340 0.001 0.000 0.217 446 L C 1.706 178.584 176.870 0.013 0.000 1.081 446 L CA 1.792 56.641 54.840 0.015 0.000 0.772 446 L CB -0.850 41.214 42.059 0.009 0.000 0.890 446 L HN 0.415 nan 8.230 nan 0.000 0.437 447 E N -0.233 119.983 120.200 0.027 0.000 2.358 447 E HA -0.096 4.255 4.350 0.001 0.000 0.195 447 E C 1.454 178.049 176.600 -0.008 0.000 1.010 447 E CA 0.579 56.991 56.400 0.020 0.000 0.856 447 E CB 0.045 29.770 29.700 0.041 0.000 0.795 447 E HN 0.529 nan 8.360 nan 0.000 0.504 448 E N 0.019 120.217 120.200 -0.004 0.000 2.501 448 E HA 0.005 4.356 4.350 0.001 0.000 0.201 448 E C 1.602 178.125 176.600 -0.128 0.000 1.016 448 E CA 0.306 56.673 56.400 -0.054 0.000 0.920 448 E CB 0.601 30.298 29.700 -0.005 0.000 1.023 448 E HN 0.203 nan 8.360 nan 0.000 0.474 449 V N -1.052 118.814 119.914 -0.080 0.000 2.490 449 V HA -0.218 3.902 4.120 0.001 0.000 0.250 449 V C 1.983 177.996 176.094 -0.135 0.000 1.061 449 V CA 1.321 63.565 62.300 -0.093 0.000 1.064 449 V CB -0.674 31.124 31.823 -0.043 0.000 0.670 449 V HN 0.235 nan 8.190 nan 0.000 0.461 450 L N 1.304 122.451 121.223 -0.125 0.000 2.313 450 L HA -0.016 4.325 4.340 0.001 0.000 0.214 450 L C 2.677 179.547 176.870 0.000 0.000 1.119 450 L CA 1.620 56.439 54.840 -0.034 0.000 0.809 450 L CB -0.824 41.195 42.059 -0.067 0.000 0.933 450 L HN 0.612 nan 8.230 nan 0.000 0.449 451 T N -4.024 110.405 114.554 -0.209 0.000 3.037 451 T HA 0.202 4.552 4.350 0.001 0.000 0.252 451 T C 1.919 176.401 174.700 -0.364 0.000 1.073 451 T CA 0.491 62.309 62.100 -0.469 0.000 1.091 451 T CB 0.187 68.775 68.868 -0.467 0.000 0.935 451 T HN 0.180 nan 8.240 nan 0.000 0.488 452 A N 2.027 124.596 122.820 -0.419 0.000 1.969 452 A HA 0.026 4.346 4.320 0.001 0.000 0.218 452 A C 1.924 179.211 177.584 -0.495 0.000 1.169 452 A CA 1.021 52.663 52.037 -0.658 0.000 0.635 452 A CB -0.504 17.480 19.000 -1.693 0.000 0.810 452 A HN 0.579 nan 8.150 nan 0.000 0.445 453 E N -2.356 117.644 120.200 -0.334 0.000 2.335 453 E HA 0.163 4.513 4.350 0.001 0.000 0.191 453 E C -0.130 176.318 176.600 -0.254 0.000 1.077 453 E CA -0.109 56.144 56.400 -0.245 0.000 1.010 453 E CB 0.100 29.684 29.700 -0.192 0.000 1.141 453 E HN 0.760 nan 8.360 nan 0.000 0.452 454 Y N -1.139 119.026 120.300 -0.225 0.000 2.640 454 Y HA 0.237 4.787 4.550 0.001 0.000 0.274 454 Y C 0.404 176.172 175.900 -0.220 0.000 1.164 454 Y CA -0.062 57.922 58.100 -0.194 0.000 1.189 454 Y CB 0.944 39.264 38.460 -0.234 0.000 1.333 454 Y HN -0.094 nan 8.280 nan 0.000 0.494 455 L N 1.216 122.386 121.223 -0.087 0.000 2.352 455 L HA 0.491 4.832 4.340 0.001 0.000 0.269 455 L C -0.889 175.954 176.870 -0.044 0.000 1.034 455 L CA -0.637 54.136 54.840 -0.111 0.000 0.806 455 L CB 1.766 43.690 42.059 -0.225 0.000 1.244 455 L HN -0.120 nan 8.230 nan 0.000 0.447 456 L N 0.995 122.198 121.223 -0.033 0.000 2.381 456 L HA 0.400 4.740 4.340 0.001 0.000 0.268 456 L C -0.136 176.802 176.870 0.114 0.000 0.997 456 L CA -0.208 54.651 54.840 0.032 0.000 0.818 456 L CB 2.516 44.483 42.059 -0.153 0.000 1.310 456 L HN 0.645 nan 8.230 nan 0.000 0.416 457 E N 0.615 120.977 120.200 0.269 0.000 2.713 457 E HA 0.083 4.434 4.350 0.001 0.000 0.201 457 E C -0.677 176.092 176.600 0.282 0.000 0.935 457 E CA 0.064 56.592 56.400 0.213 0.000 1.273 457 E CB 0.848 30.600 29.700 0.086 0.000 1.221 457 E HN 0.646 nan 8.360 nan 0.000 0.547 458 E N 0.275 120.603 120.200 0.213 0.000 2.210 458 E HA 0.231 4.582 4.350 0.001 0.000 0.266 458 E C -1.006 175.425 176.600 -0.282 0.000 0.883 458 E CA -0.901 55.515 56.400 0.025 0.000 0.761 458 E CB 1.445 31.125 29.700 -0.033 0.000 1.156 458 E HN -0.020 nan 8.360 nan 0.000 0.412 459 F N 3.390 122.838 119.950 -0.836 0.000 2.504 459 F HA 0.211 4.738 4.527 0.001 0.000 0.369 459 F C -0.121 175.295 175.800 -0.640 0.000 1.082 459 F CA -0.545 56.665 58.000 -1.316 0.000 1.216 459 F CB 0.501 38.891 39.000 -1.017 0.000 1.108 459 F HN 0.406 nan 8.300 nan 0.000 0.554 460 R N 8.053 127.925 120.500 -1.048 0.000 2.443 460 R HA 0.207 4.547 4.340 0.001 0.000 0.287 460 R C -2.108 173.639 176.300 -0.921 0.000 1.425 460 R CA -1.577 54.044 56.100 -0.798 0.000 1.300 460 R CB 0.967 30.983 30.300 -0.472 0.000 1.129 460 R HN 0.383 nan 8.270 nan 0.000 0.577 461 P HA -0.204 nan 4.420 nan 0.000 0.216 461 P C 0.890 177.896 177.300 -0.490 0.000 1.150 461 P CA 1.357 63.946 63.100 -0.851 0.000 0.843 461 P CB 0.293 31.638 31.700 -0.591 0.000 0.787 462 D N -0.270 119.888 120.400 -0.403 0.000 2.149 462 D HA -0.118 4.523 4.640 0.001 0.000 0.201 462 D C 1.944 178.065 176.300 -0.299 0.000 0.972 462 D CA 0.977 54.806 54.000 -0.285 0.000 0.835 462 D CB -1.077 39.584 40.800 -0.231 0.000 0.966 462 D HN 0.210 nan 8.370 nan 0.000 0.476 463 L N 0.183 121.177 121.223 -0.382 0.000 2.093 463 L HA -0.060 4.281 4.340 0.001 0.000 0.208 463 L C 2.812 179.496 176.870 -0.309 0.000 1.085 463 L CA 0.609 55.202 54.840 -0.412 0.000 0.755 463 L CB -0.368 41.346 42.059 -0.575 0.000 0.904 463 L HN -0.060 nan 8.230 nan 0.000 0.435 464 I N -0.026 120.341 120.570 -0.338 0.000 2.142 464 I HA -0.289 3.881 4.170 0.001 0.000 0.240 464 I C 2.480 178.487 176.117 -0.184 0.000 1.078 464 I CA 1.498 62.642 61.300 -0.261 0.000 1.343 464 I CB -0.302 37.450 38.000 -0.413 0.000 1.046 464 I HN 0.269 nan 8.210 nan 0.000 0.405 465 E N 0.312 120.394 120.200 -0.196 0.000 2.110 465 E HA -0.265 4.085 4.350 0.001 0.000 0.193 465 E C 2.195 178.719 176.600 -0.127 0.000 0.988 465 E CA 1.216 57.532 56.400 -0.140 0.000 0.804 465 E CB -0.202 29.420 29.700 -0.130 0.000 0.745 465 E HN 0.441 nan 8.360 nan 0.000 0.458 466 M N 1.020 120.534 119.600 -0.143 0.000 2.159 466 M HA -0.133 4.347 4.480 0.001 0.000 0.263 466 M C 2.106 178.350 176.300 -0.093 0.000 1.063 466 M CA 1.359 56.592 55.300 -0.111 0.000 1.110 466 M CB -0.070 32.455 32.600 -0.125 0.000 1.374 466 M HN 0.017 nan 8.290 nan 0.000 0.411 467 V N 0.848 120.698 119.914 -0.107 0.000 2.307 467 V HA -0.243 3.878 4.120 0.001 0.000 0.245 467 V C 2.469 178.457 176.094 -0.177 0.000 1.045 467 V CA 1.132 63.371 62.300 -0.103 0.000 1.024 467 V CB -0.966 30.816 31.823 -0.068 0.000 0.651 467 V HN 0.430 nan 8.190 nan 0.000 0.449 468 L N 0.774 121.895 121.223 -0.170 0.000 2.191 468 L HA -0.156 4.184 4.340 0.001 0.000 0.212 468 L C 1.908 178.673 176.870 -0.175 0.000 1.103 468 L CA 2.096 56.817 54.840 -0.197 0.000 0.769 468 L CB -0.915 41.069 42.059 -0.124 0.000 0.908 468 L HN 0.442 nan 8.230 nan 0.000 0.438 469 D N -1.439 118.885 120.400 -0.127 0.000 2.317 469 D HA -0.129 4.511 4.640 0.001 0.000 0.211 469 D C 1.876 178.125 176.300 -0.086 0.000 0.966 469 D CA 0.647 54.593 54.000 -0.091 0.000 0.876 469 D CB 0.203 40.963 40.800 -0.067 0.000 0.927 469 D HN 0.055 nan 8.370 nan 0.000 0.519 470 K N -0.155 120.178 120.400 -0.111 0.000 2.366 470 K HA 0.088 4.409 4.320 0.001 0.000 0.198 470 K C 0.514 176.998 176.600 -0.194 0.000 1.044 470 K CA 0.195 56.432 56.287 -0.082 0.000 0.973 470 K CB 0.148 32.626 32.500 -0.037 0.000 0.767 470 K HN 0.317 nan 8.250 nan 0.000 0.475 471 L N 2.568 123.552 121.223 -0.398 0.000 2.536 471 L HA 0.182 4.522 4.340 0.001 0.000 0.242 471 L C -0.034 176.620 176.870 -0.361 0.000 1.280 471 L CA -0.075 54.221 54.840 -0.907 0.000 1.221 471 L CB -0.180 41.321 42.059 -0.929 0.000 1.449 471 L HN -0.090 nan 8.230 nan 0.000 0.405 472 R N 0.417 120.914 120.500 -0.004 0.000 2.854 472 R HA 0.398 4.738 4.340 0.001 0.000 0.271 472 R C -1.890 174.584 176.300 0.291 0.000 0.994 472 R CA -1.832 54.364 56.100 0.160 0.000 0.945 472 R CB 1.240 31.555 30.300 0.025 0.000 1.194 472 R HN -0.172 nan 8.270 nan 0.000 0.476 473 P HA -0.263 nan 4.420 nan 0.000 0.216 473 P C 0.869 178.274 177.300 0.175 0.000 1.153 473 P CA 1.375 64.433 63.100 -0.070 0.000 0.858 473 P CB 0.198 31.738 31.700 -0.267 0.000 0.789 474 E N 0.071 120.336 120.200 0.107 0.000 2.333 474 E HA -0.160 4.191 4.350 0.001 0.000 0.198 474 E C 0.450 177.146 176.600 0.161 0.000 1.007 474 E CA 1.038 57.506 56.400 0.114 0.000 0.845 474 E CB -1.103 28.636 29.700 0.065 0.000 0.766 474 E HN 0.416 nan 8.360 nan 0.000 0.507 475 N N 0.987 119.837 118.700 0.249 0.000 2.535 475 N HA 0.114 4.855 4.740 0.001 0.000 0.294 475 N C -0.820 174.906 175.510 0.359 0.000 1.408 475 N CA -0.414 52.803 53.050 0.277 0.000 0.927 475 N CB 0.724 39.347 38.487 0.227 0.000 1.276 475 N HN -0.039 nan 8.380 nan 0.000 0.505 476 V N 0.600 120.678 119.914 0.272 0.000 2.612 476 V HA 0.533 4.653 4.120 0.001 0.000 0.301 476 V C -0.453 175.659 176.094 0.030 0.000 1.046 476 V CA -0.708 61.626 62.300 0.057 0.000 0.946 476 V CB 1.717 33.658 31.823 0.196 0.000 1.003 476 V HN 0.302 nan 8.190 nan 0.000 0.459 477 R N 3.473 123.925 120.500 -0.080 0.000 2.621 477 R HA 0.793 5.133 4.340 0.001 0.000 0.292 477 R C -1.856 174.454 176.300 0.016 0.000 0.969 477 R CA -0.632 55.472 56.100 0.006 0.000 0.887 477 R CB 2.419 32.693 30.300 -0.044 0.000 1.180 477 R HN 0.510 nan 8.270 nan 0.000 0.450 478 V N 1.747 121.739 119.914 0.129 0.000 2.569 478 V HA 0.675 4.795 4.120 0.001 0.000 0.301 478 V C -0.864 175.370 176.094 0.234 0.000 1.044 478 V CA -0.767 61.612 62.300 0.132 0.000 0.874 478 V CB 1.804 33.711 31.823 0.140 0.000 1.002 478 V HN 0.924 nan 8.190 nan 0.000 0.424 479 A N 6.147 129.110 122.820 0.238 0.000 2.371 479 A HA 0.959 5.279 4.320 0.001 0.000 0.311 479 A C -0.976 176.783 177.584 0.292 0.000 1.068 479 A CA -0.537 51.670 52.037 0.283 0.000 0.744 479 A CB 1.170 20.294 19.000 0.207 0.000 1.239 479 A HN 0.761 nan 8.150 nan 0.000 0.435 480 I N 2.575 123.310 120.570 0.276 0.000 2.436 480 I HA 0.505 4.675 4.170 0.001 0.000 0.289 480 I C -0.421 175.945 176.117 0.414 0.000 1.010 480 I CA -1.068 60.422 61.300 0.317 0.000 1.098 480 I CB 1.979 40.199 38.000 0.367 0.000 1.266 480 I HN 0.470 nan 8.210 nan 0.000 0.434 481 V N 3.850 123.975 119.914 0.353 0.000 2.448 481 V HA 0.867 4.988 4.120 0.001 0.000 0.295 481 V C -0.563 175.650 176.094 0.198 0.000 1.025 481 V CA 0.086 62.581 62.300 0.324 0.000 0.859 481 V CB 1.603 33.587 31.823 0.269 0.000 0.988 481 V HN 0.838 nan 8.190 nan 0.000 0.431 482 S N 4.713 120.502 115.700 0.150 0.000 2.548 482 S HA 0.438 4.908 4.470 0.001 0.000 0.278 482 S C 0.325 174.848 174.600 -0.129 0.000 1.150 482 S CA -0.709 57.425 58.200 -0.110 0.000 0.907 482 S CB 2.020 64.982 63.200 -0.396 0.000 1.108 482 S HN 0.796 nan 8.310 nan 0.000 0.459 483 K N 2.071 122.417 120.400 -0.090 0.000 2.281 483 K HA -0.053 4.268 4.320 0.001 0.000 0.203 483 K C 1.996 178.532 176.600 -0.107 0.000 1.046 483 K CA 1.666 57.921 56.287 -0.054 0.000 0.938 483 K CB -0.760 31.719 32.500 -0.034 0.000 0.737 483 K HN 0.790 nan 8.250 nan 0.000 0.458 484 S N -0.630 114.915 115.700 -0.259 0.000 2.595 484 S HA -0.012 4.458 4.470 0.001 0.000 0.235 484 S C 1.444 175.894 174.600 -0.250 0.000 0.974 484 S CA 0.300 58.331 58.200 -0.281 0.000 0.942 484 S CB -0.537 62.441 63.200 -0.371 0.000 0.766 484 S HN 0.258 nan 8.310 nan 0.000 0.536 485 F N 0.985 120.952 119.950 0.027 0.000 2.695 485 F HA 0.376 4.903 4.527 0.001 0.000 0.303 485 F C 0.971 176.785 175.800 0.023 0.000 1.091 485 F CA -0.827 57.190 58.000 0.028 0.000 1.300 485 F CB 0.114 39.142 39.000 0.046 0.000 1.071 485 F HN 0.216 nan 8.300 nan 0.000 0.578 486 E N 0.894 121.184 120.200 0.151 0.000 2.558 486 E HA 0.183 4.533 4.350 0.001 0.000 0.255 486 E C 1.237 177.885 176.600 0.079 0.000 0.968 486 E CA 1.166 57.622 56.400 0.095 0.000 0.939 486 E CB 0.259 29.988 29.700 0.049 0.000 0.921 486 E HN 0.441 nan 8.360 nan 0.000 0.477 487 G N 4.406 113.244 108.800 0.063 0.000 2.155 487 G HA2 -0.344 3.616 3.960 0.001 0.000 0.257 487 G HA3 -0.344 3.616 3.960 0.001 0.000 0.257 487 G C 0.447 175.374 174.900 0.046 0.000 0.983 487 G CA 0.709 45.834 45.100 0.042 0.000 0.676 487 G HN 0.579 nan 8.290 nan 0.000 0.528 488 K N 0.216 120.660 120.400 0.074 0.000 2.506 488 K HA 0.220 4.540 4.320 0.001 0.000 0.204 488 K C 0.769 177.379 176.600 0.016 0.000 1.045 488 K CA 0.555 56.879 56.287 0.061 0.000 1.074 488 K CB 0.972 33.544 32.500 0.120 0.000 0.842 488 K HN 0.517 nan 8.250 nan 0.000 0.514 489 T N -1.014 113.541 114.554 0.001 0.000 2.950 489 T HA 0.300 4.650 4.350 0.001 0.000 0.288 489 T C 0.183 174.828 174.700 -0.091 0.000 1.035 489 T CA -0.622 61.440 62.100 -0.062 0.000 1.028 489 T CB 1.725 70.570 68.868 -0.038 0.000 1.109 489 T HN 0.090 nan 8.240 nan 0.000 0.514 490 D N -1.004 119.299 120.400 -0.162 0.000 2.530 490 D HA 0.143 4.783 4.640 0.001 0.000 0.253 490 D C 0.204 176.371 176.300 -0.222 0.000 1.338 490 D CA -0.449 53.460 54.000 -0.152 0.000 0.806 490 D CB 0.255 40.979 40.800 -0.127 0.000 1.160 490 D HN 0.528 nan 8.370 nan 0.000 0.514 491 R N -0.494 119.779 120.500 -0.379 0.000 2.888 491 R HA 0.761 5.102 4.340 0.001 0.000 0.266 491 R C -0.894 175.202 176.300 -0.340 0.000 1.020 491 R CA -0.780 55.032 56.100 -0.481 0.000 0.963 491 R CB 2.114 31.891 30.300 -0.872 0.000 1.197 491 R HN 0.008 nan 8.270 nan 0.000 0.481 492 T N -0.518 113.974 114.554 -0.103 0.000 3.293 492 T HA 0.106 4.456 4.350 0.001 0.000 0.320 492 T C -1.008 173.792 174.700 0.166 0.000 0.995 492 T CA -0.822 61.330 62.100 0.086 0.000 1.041 492 T CB 1.318 70.194 68.868 0.012 0.000 1.058 492 T HN 0.465 nan 8.240 nan 0.000 0.453 493 E N 3.322 123.687 120.200 0.275 0.000 2.376 493 E HA 0.049 4.399 4.350 0.001 0.000 0.266 493 E C 1.231 177.828 176.600 -0.004 0.000 1.009 493 E CA 0.162 56.642 56.400 0.132 0.000 0.902 493 E CB 1.015 30.764 29.700 0.081 0.000 0.972 493 E HN 0.930 nan 8.360 nan 0.000 0.439 494 E N 3.465 123.563 120.200 -0.170 0.000 2.106 494 E HA -0.180 4.170 4.350 0.001 0.000 0.192 494 E C 1.454 177.730 176.600 -0.540 0.000 0.984 494 E CA 1.082 57.225 56.400 -0.429 0.000 0.806 494 E CB -0.315 29.000 29.700 -0.640 0.000 0.750 494 E HN 0.613 nan 8.360 nan 0.000 0.458 495 W N -0.345 120.865 121.300 -0.150 0.000 2.453 495 W HA 0.038 4.699 4.660 0.001 0.000 0.289 495 W C 1.410 177.755 176.519 -0.290 0.000 1.215 495 W CA 0.177 57.299 57.345 -0.371 0.000 1.297 495 W CB -0.072 28.952 29.460 -0.727 0.000 1.113 495 W HN 0.056 nan 8.180 nan 0.000 0.551 496 Y N -0.890 119.462 120.300 0.088 0.000 2.462 496 Y HA 0.330 4.880 4.550 0.001 0.000 0.253 496 Y C 2.044 177.951 175.900 0.012 0.000 1.095 496 Y CA 0.423 58.563 58.100 0.066 0.000 1.283 496 Y CB 0.145 38.655 38.460 0.085 0.000 1.138 496 Y HN 0.037 nan 8.280 nan 0.000 0.522 497 G N 0.230 109.105 108.800 0.124 0.000 2.159 497 G HA2 -0.292 3.668 3.960 0.001 0.000 0.256 497 G HA3 -0.292 3.668 3.960 0.001 0.000 0.256 497 G C 0.278 175.240 174.900 0.102 0.000 0.977 497 G CA 0.298 45.438 45.100 0.066 0.000 0.652 497 G HN 0.237 nan 8.290 nan 0.000 0.531 498 T N 2.487 117.126 114.554 0.143 0.000 2.905 498 T HA 0.329 4.679 4.350 0.001 0.000 0.299 498 T C 0.493 175.324 174.700 0.218 0.000 1.024 498 T CA 0.439 62.622 62.100 0.140 0.000 1.151 498 T CB 0.844 69.755 68.868 0.072 0.000 0.987 498 T HN 0.383 nan 8.240 nan 0.000 0.535 499 Q N 2.707 122.619 119.800 0.187 0.000 2.243 499 Q HA 0.506 4.846 4.340 0.001 0.000 0.252 499 Q C -0.512 175.657 176.000 0.281 0.000 0.909 499 Q CA -0.519 55.393 55.803 0.181 0.000 0.922 499 Q CB 1.468 30.266 28.738 0.100 0.000 1.215 499 Q HN 0.864 nan 8.270 nan 0.000 0.427 500 Y N -1.456 118.856 120.300 0.019 0.000 2.741 500 Y HA 0.600 5.151 4.550 0.001 0.000 0.339 500 Y C -1.801 174.091 175.900 -0.013 0.000 1.226 500 Y CA -1.256 56.849 58.100 0.008 0.000 1.072 500 Y CB 1.351 39.832 38.460 0.035 0.000 1.331 500 Y HN 0.503 nan 8.280 nan 0.000 0.453 501 K N 1.600 121.948 120.400 -0.086 0.000 2.477 501 K HA 0.522 4.842 4.320 0.001 0.000 0.255 501 K C -1.869 174.725 176.600 -0.010 0.000 0.952 501 K CA -0.802 55.374 56.287 -0.185 0.000 0.826 501 K CB 2.666 35.054 32.500 -0.187 0.000 1.331 501 K HN 0.942 nan 8.250 nan 0.000 0.437 502 Q N 2.424 122.179 119.800 -0.075 0.000 2.356 502 Q HA 0.326 4.667 4.340 0.001 0.000 0.270 502 Q C -1.535 174.350 176.000 -0.191 0.000 1.058 502 Q CA -0.492 55.230 55.803 -0.135 0.000 0.802 502 Q CB 1.975 30.715 28.738 0.003 0.000 1.303 502 Q HN 0.684 nan 8.270 nan 0.000 0.444 503 E N 0.850 120.891 120.200 -0.265 0.000 2.408 503 E HA 0.625 4.975 4.350 0.001 0.000 0.275 503 E C -1.483 175.000 176.600 -0.195 0.000 0.935 503 E CA -0.970 55.319 56.400 -0.186 0.000 0.775 503 E CB 1.912 31.521 29.700 -0.151 0.000 1.277 503 E HN 0.707 nan 8.360 nan 0.000 0.455 504 A N 1.717 124.456 122.820 -0.134 0.000 2.388 504 A HA 0.362 4.682 4.320 0.001 0.000 0.257 504 A C -0.104 177.421 177.584 -0.099 0.000 1.095 504 A CA -0.221 51.749 52.037 -0.110 0.000 0.791 504 A CB -0.085 18.866 19.000 -0.083 0.000 1.029 504 A HN 0.544 nan 8.150 nan 0.000 0.489 505 I N 3.396 123.920 120.570 -0.076 0.000 2.471 505 I HA 0.164 4.334 4.170 0.001 0.000 0.286 505 I C -1.830 174.223 176.117 -0.106 0.000 1.079 505 I CA -1.484 59.770 61.300 -0.077 0.000 1.398 505 I CB 0.899 38.892 38.000 -0.013 0.000 1.403 505 I HN 0.453 nan 8.210 nan 0.000 0.530 506 P HA -0.000 nan 4.420 nan 0.000 0.266 506 P C 0.212 177.423 177.300 -0.149 0.000 1.195 506 P CA -0.108 62.915 63.100 -0.128 0.000 0.768 506 P CB 0.562 32.182 31.700 -0.134 0.000 0.838 507 D N 1.665 121.999 120.400 -0.109 0.000 2.182 507 D HA -0.172 4.469 4.640 0.001 0.000 0.201 507 D C 1.287 177.509 176.300 -0.131 0.000 0.986 507 D CA 1.268 55.207 54.000 -0.101 0.000 0.847 507 D CB 0.153 40.912 40.800 -0.069 0.000 0.942 507 D HN 0.455 nan 8.370 nan 0.000 0.467 508 E N 0.329 120.446 120.200 -0.138 0.000 2.274 508 E HA -0.060 4.290 4.350 0.001 0.000 0.194 508 E C 2.339 178.800 176.600 -0.233 0.000 0.996 508 E CA 0.110 56.423 56.400 -0.145 0.000 0.840 508 E CB 0.016 29.650 29.700 -0.109 0.000 0.772 508 E HN 0.200 nan 8.360 nan 0.000 0.491 509 V N 1.364 121.077 119.914 -0.336 0.000 2.535 509 V HA -0.155 3.965 4.120 0.001 0.000 0.246 509 V C 2.218 177.845 176.094 -0.779 0.000 1.045 509 V CA 0.747 62.671 62.300 -0.626 0.000 1.058 509 V CB -0.215 31.183 31.823 -0.708 0.000 0.689 509 V HN 0.183 nan 8.190 nan 0.000 0.461 510 I N 0.541 120.846 120.570 -0.441 0.000 2.163 510 I HA -0.223 3.947 4.170 0.001 0.000 0.243 510 I C 2.404 178.450 176.117 -0.119 0.000 1.085 510 I CA 1.754 62.938 61.300 -0.194 0.000 1.347 510 I CB -1.256 36.705 38.000 -0.065 0.000 1.044 510 I HN 0.391 nan 8.210 nan 0.000 0.408 511 K N 0.794 121.119 120.400 -0.126 0.000 2.097 511 K HA -0.158 4.162 4.320 0.001 0.000 0.206 511 K C 2.101 178.673 176.600 -0.047 0.000 1.049 511 K CA 1.031 57.277 56.287 -0.068 0.000 0.933 511 K CB -0.158 32.308 32.500 -0.057 0.000 0.717 511 K HN 0.326 nan 8.250 nan 0.000 0.442 512 K N -0.046 120.298 120.400 -0.093 0.000 2.057 512 K HA -0.123 4.197 4.320 0.001 0.000 0.206 512 K C 1.988 178.666 176.600 0.130 0.000 1.050 512 K CA 1.111 57.388 56.287 -0.018 0.000 0.935 512 K CB -0.026 32.432 32.500 -0.070 0.000 0.715 512 K HN 0.207 nan 8.250 nan 0.000 0.439 513 W N 1.925 123.214 121.300 -0.017 0.000 2.358 513 W HA -0.127 4.533 4.660 0.001 0.000 0.303 513 W C 1.929 178.321 176.519 -0.212 0.000 1.208 513 W CA 0.764 58.064 57.345 -0.075 0.000 1.274 513 W CB -0.879 28.479 29.460 -0.170 0.000 1.138 513 W HN 0.240 nan 8.180 nan 0.000 0.515 514 Q N -0.368 119.441 119.800 0.015 0.000 2.226 514 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 514 Q C 1.274 177.279 176.000 0.009 0.000 0.975 514 Q CA 1.016 56.791 55.803 -0.047 0.000 0.866 514 Q CB -0.402 28.312 28.738 -0.039 0.000 0.915 514 Q HN 0.255 nan 8.270 nan 0.000 0.440 515 N N 0.410 119.138 118.700 0.048 0.000 2.322 515 N HA 0.123 4.864 4.740 0.001 0.000 0.194 515 N C -0.415 175.149 175.510 0.090 0.000 1.126 515 N CA 0.135 53.219 53.050 0.057 0.000 0.845 515 N CB 0.267 38.782 38.487 0.046 0.000 0.976 515 N HN 0.114 nan 8.380 nan 0.000 0.475 516 A N 1.014 123.913 122.820 0.131 0.000 2.573 516 A HA -0.061 4.260 4.320 0.001 0.000 0.250 516 A C 0.536 178.193 177.584 0.121 0.000 1.049 516 A CA 0.316 52.454 52.037 0.169 0.000 0.767 516 A CB -0.003 19.145 19.000 0.246 0.000 0.965 516 A HN 0.124 nan 8.150 nan 0.000 0.514 517 D N 1.255 121.720 120.400 0.108 0.000 2.511 517 D HA 0.520 5.160 4.640 0.001 0.000 0.276 517 D C 0.111 176.466 176.300 0.091 0.000 1.220 517 D CA -0.471 53.578 54.000 0.082 0.000 1.077 517 D CB 0.482 41.321 40.800 0.065 0.000 1.126 517 D HN 0.429 nan 8.370 nan 0.000 0.583 518 L N 1.628 122.895 121.223 0.074 0.000 2.380 518 L HA 0.222 4.562 4.340 0.001 0.000 0.273 518 L C 0.373 177.290 176.870 0.079 0.000 1.138 518 L CA -0.300 54.590 54.840 0.085 0.000 0.832 518 L CB 0.427 42.521 42.059 0.059 0.000 1.124 518 L HN 0.275 nan 8.230 nan 0.000 0.454 519 N N 1.668 120.437 118.700 0.115 0.000 2.443 519 N HA 0.210 4.951 4.740 0.001 0.000 0.269 519 N C 0.676 176.166 175.510 -0.033 0.000 0.985 519 N CA -0.419 52.640 53.050 0.015 0.000 0.921 519 N CB 2.032 40.506 38.487 -0.022 0.000 1.195 519 N HN 0.656 nan 8.380 nan 0.000 0.492 520 G N 2.601 111.370 108.800 -0.052 0.000 2.708 520 G HA2 -0.144 3.817 3.960 0.001 0.000 0.210 520 G HA3 -0.144 3.817 3.960 0.001 0.000 0.210 520 G C 1.094 175.937 174.900 -0.095 0.000 1.141 520 G CA 0.367 45.443 45.100 -0.041 0.000 0.788 520 G HN 0.536 nan 8.290 nan 0.000 0.531 521 K N -0.210 120.042 120.400 -0.248 0.000 2.418 521 K HA 0.121 4.441 4.320 0.001 0.000 0.195 521 K C -0.255 176.149 176.600 -0.326 0.000 1.035 521 K CA 0.067 56.148 56.287 -0.344 0.000 1.003 521 K CB 0.166 32.390 32.500 -0.459 0.000 0.793 521 K HN 0.409 nan 8.250 nan 0.000 0.494 522 F N 1.170 121.175 119.950 0.092 0.000 2.427 522 F HA 0.308 4.835 4.527 0.001 0.000 0.346 522 F C 0.260 176.096 175.800 0.061 0.000 1.120 522 F CA -1.108 56.972 58.000 0.133 0.000 1.033 522 F CB 1.325 40.430 39.000 0.176 0.000 1.126 522 F HN -0.425 nan 8.300 nan 0.000 0.462 523 K N 2.611 123.192 120.400 0.302 0.000 2.426 523 K HA 0.544 4.864 4.320 0.001 0.000 0.251 523 K C -1.084 175.615 176.600 0.165 0.000 0.941 523 K CA -0.790 55.598 56.287 0.168 0.000 0.808 523 K CB 1.729 34.310 32.500 0.135 0.000 1.265 523 K HN 0.294 nan 8.250 nan 0.000 0.432 524 L N 3.223 124.514 121.223 0.113 0.000 2.482 524 L HA 0.250 4.590 4.340 0.001 0.000 0.273 524 L C -1.919 175.029 176.870 0.131 0.000 1.228 524 L CA -1.366 53.544 54.840 0.118 0.000 0.827 524 L CB -0.536 41.630 42.059 0.177 0.000 1.099 524 L HN 0.564 nan 8.230 nan 0.000 0.494 525 P HA 0.165 nan 4.420 nan 0.000 0.272 525 P C -0.667 176.790 177.300 0.262 0.000 1.223 525 P CA -0.441 62.674 63.100 0.024 0.000 0.784 525 P CB 0.181 31.703 31.700 -0.297 0.000 0.923 526 T N -1.130 113.534 114.554 0.183 0.000 2.816 526 T HA 0.295 4.646 4.350 0.001 0.000 0.282 526 T C 0.290 175.097 174.700 0.178 0.000 0.993 526 T CA -0.838 61.326 62.100 0.108 0.000 0.994 526 T CB 0.406 69.300 68.868 0.042 0.000 1.025 526 T HN 0.140 nan 8.240 nan 0.000 0.529 527 K N 1.487 121.859 120.400 -0.047 0.000 2.527 527 K HA 0.005 4.325 4.320 0.001 0.000 0.278 527 K C 0.195 176.886 176.600 0.151 0.000 0.981 527 K CA 0.076 56.392 56.287 0.047 0.000 1.009 527 K CB 0.023 32.436 32.500 -0.144 0.000 0.895 527 K HN 0.678 nan 8.250 nan 0.000 0.493 528 N N 3.591 122.431 118.700 0.233 0.000 2.401 528 N HA -0.008 4.732 4.740 0.001 0.000 0.255 528 N C -0.255 175.321 175.510 0.110 0.000 1.110 528 N CA 0.096 53.269 53.050 0.205 0.000 0.949 528 N CB 0.684 39.326 38.487 0.259 0.000 1.110 528 N HN 0.536 nan 8.380 nan 0.000 0.490 529 E N 2.850 123.064 120.200 0.023 0.000 2.481 529 E HA -0.048 4.303 4.350 0.001 0.000 0.195 529 E C 0.395 176.884 176.600 -0.185 0.000 1.047 529 E CA 0.378 56.705 56.400 -0.122 0.000 0.867 529 E CB 0.036 29.586 29.700 -0.251 0.000 0.858 529 E HN 0.642 nan 8.360 nan 0.000 0.513 530 F N 0.606 120.550 119.950 -0.010 0.000 2.765 530 F HA 0.181 4.708 4.527 0.001 0.000 0.302 530 F C 1.002 176.809 175.800 0.012 0.000 1.111 530 F CA -0.358 57.632 58.000 -0.017 0.000 1.359 530 F CB 0.191 39.167 39.000 -0.041 0.000 1.097 530 F HN -0.164 nan 8.300 nan 0.000 0.577 531 I N 3.950 124.623 120.570 0.172 0.000 2.821 531 I HA -0.066 4.105 4.170 0.001 0.000 0.294 531 I C -1.771 174.379 176.117 0.055 0.000 1.210 531 I CA -1.359 60.018 61.300 0.128 0.000 1.430 531 I CB 0.090 38.154 38.000 0.106 0.000 1.356 531 I HN -0.146 nan 8.210 nan 0.000 0.563 532 P HA 0.086 nan 4.420 nan 0.000 0.275 532 P C 0.133 177.224 177.300 -0.348 0.000 1.228 532 P CA -0.195 62.794 63.100 -0.184 0.000 0.786 532 P CB 1.180 32.717 31.700 -0.272 0.000 0.927 533 T N -2.035 112.202 114.554 -0.529 0.000 2.966 533 T HA 0.085 4.436 4.350 0.001 0.000 0.254 533 T C 0.509 174.745 174.700 -0.773 0.000 0.961 533 T CA -0.106 61.705 62.100 -0.481 0.000 0.915 533 T CB -0.332 68.415 68.868 -0.203 0.000 1.186 533 T HN 0.463 nan 8.240 nan 0.000 0.505 534 N N 0.208 118.441 118.700 -0.779 0.000 2.457 534 N HA 0.368 5.108 4.740 0.001 0.000 0.250 534 N C -1.043 174.049 175.510 -0.697 0.000 0.982 534 N CA -0.629 52.074 53.050 -0.579 0.000 0.941 534 N CB 0.654 38.977 38.487 -0.274 0.000 1.120 534 N HN 0.221 nan 8.380 nan 0.000 0.505 535 F N 1.076 120.986 119.950 -0.066 0.000 2.735 535 F HA 0.233 4.760 4.527 0.001 0.000 0.308 535 F C 0.806 176.563 175.800 -0.072 0.000 1.112 535 F CA -0.623 57.288 58.000 -0.148 0.000 1.235 535 F CB 0.317 39.210 39.000 -0.179 0.000 1.027 535 F HN 0.434 nan 8.300 nan 0.000 0.528 536 E N 2.144 122.386 120.200 0.069 0.000 2.480 536 E HA 0.041 4.391 4.350 0.001 0.000 0.258 536 E C -0.408 176.234 176.600 0.070 0.000 0.984 536 E CA -0.157 56.286 56.400 0.072 0.000 0.930 536 E CB 0.545 30.266 29.700 0.037 0.000 0.936 536 E HN 0.184 nan 8.360 nan 0.000 0.466 537 I N 6.186 126.812 120.570 0.094 0.000 2.322 537 I HA 0.068 4.238 4.170 0.001 0.000 0.292 537 I C 0.043 176.220 176.117 0.100 0.000 1.060 537 I CA 0.057 61.423 61.300 0.111 0.000 1.309 537 I CB 0.607 38.705 38.000 0.163 0.000 1.415 537 I HN 0.434 nan 8.210 nan 0.000 0.492 538 L N 8.823 130.103 121.223 0.095 0.000 2.485 538 L HA 0.202 4.542 4.340 0.001 0.000 0.275 538 L C -1.826 175.105 176.870 0.101 0.000 1.207 538 L CA -1.547 53.344 54.840 0.084 0.000 0.855 538 L CB -0.385 41.722 42.059 0.081 0.000 1.114 538 L HN 0.386 nan 8.230 nan 0.000 0.485 539 P HA 0.019 nan 4.420 nan 0.000 0.267 539 P C -0.509 176.848 177.300 0.095 0.000 1.200 539 P CA -0.589 62.553 63.100 0.070 0.000 0.772 539 P CB 0.394 32.120 31.700 0.043 0.000 0.855 540 L N 3.065 124.351 121.223 0.105 0.000 2.534 540 L HA -0.007 4.334 4.340 0.001 0.000 0.271 540 L C 0.862 177.783 176.870 0.086 0.000 1.178 540 L CA 0.605 55.514 54.840 0.116 0.000 0.907 540 L CB -1.050 41.083 42.059 0.123 0.000 1.164 540 L HN 0.397 nan 8.230 nan 0.000 0.482 541 E N 3.161 123.420 120.200 0.099 0.000 2.415 541 E HA 0.008 4.359 4.350 0.001 0.000 0.262 541 E C 1.219 177.857 176.600 0.064 0.000 1.038 541 E CA 0.481 56.931 56.400 0.083 0.000 0.921 541 E CB 0.514 30.278 29.700 0.107 0.000 0.950 541 E HN 0.633 nan 8.360 nan 0.000 0.438 542 K N 2.055 122.482 120.400 0.046 0.000 2.074 542 K HA -0.208 4.113 4.320 0.001 0.000 0.209 542 K C 1.944 178.567 176.600 0.038 0.000 1.048 542 K CA 2.219 58.527 56.287 0.035 0.000 0.926 542 K CB -1.350 31.165 32.500 0.025 0.000 0.713 542 K HN 0.702 nan 8.250 nan 0.000 0.444 543 E N 0.347 120.576 120.200 0.049 0.000 2.416 543 E HA 0.591 4.942 4.350 0.001 0.000 0.189 543 E C 0.888 177.533 176.600 0.075 0.000 1.091 543 E CA 0.258 56.691 56.400 0.054 0.000 0.889 543 E CB -1.094 28.635 29.700 0.049 0.000 1.015 543 E HN 0.952 nan 8.360 nan 0.000 0.479 544 A N 0.983 123.847 122.820 0.073 0.000 2.425 544 A HA 0.532 4.852 4.320 0.001 0.000 0.242 544 A C 0.918 178.508 177.584 0.010 0.000 1.077 544 A CA 0.536 52.614 52.037 0.068 0.000 0.781 544 A CB 0.177 19.211 19.000 0.056 0.000 1.020 544 A HN 0.608 nan 8.150 nan 0.000 0.494 545 T N -0.445 114.086 114.554 -0.038 0.000 2.908 545 T HA 0.625 4.975 4.350 0.001 0.000 0.290 545 T C -2.379 172.213 174.700 -0.181 0.000 1.034 545 T CA -1.552 60.497 62.100 -0.085 0.000 1.010 545 T CB 1.654 70.487 68.868 -0.058 0.000 1.068 545 T HN 0.302 nan 8.240 nan 0.000 0.481 546 P HA 0.110 nan 4.420 nan 0.000 0.222 546 P C -0.518 176.415 177.300 -0.611 0.000 1.153 546 P CA 0.805 63.641 63.100 -0.440 0.000 0.798 546 P CB -0.010 31.336 31.700 -0.591 0.000 0.796 547 Y N -1.624 118.519 120.300 -0.263 0.000 2.621 547 Y HA 0.485 5.035 4.550 0.001 0.000 0.334 547 Y C -2.257 173.228 175.900 -0.692 0.000 1.074 547 Y CA -3.435 54.314 58.100 -0.586 0.000 1.149 547 Y CB -0.287 37.893 38.460 -0.466 0.000 1.302 547 Y HN -0.322 nan 8.280 nan 0.000 0.501 548 P HA 0.287 nan 4.420 nan 0.000 0.271 548 P C -1.167 176.058 177.300 -0.124 0.000 1.216 548 P CA -0.147 62.603 63.100 -0.583 0.000 0.771 548 P CB 0.613 31.876 31.700 -0.728 0.000 0.864 549 A N 3.368 126.228 122.820 0.067 0.000 2.306 549 A HA 0.535 4.855 4.320 0.001 0.000 0.330 549 A C -0.686 176.992 177.584 0.157 0.000 1.146 549 A CA -0.646 51.494 52.037 0.172 0.000 0.827 549 A CB 0.296 19.373 19.000 0.128 0.000 1.178 549 A HN 0.569 nan 8.150 nan 0.000 0.490 550 L N 3.174 124.349 121.223 -0.080 0.000 2.312 550 L HA 0.456 4.796 4.340 0.001 0.000 0.287 550 L C 0.353 177.068 176.870 -0.259 0.000 1.091 550 L CA 0.132 54.669 54.840 -0.506 0.000 0.846 550 L CB 0.047 41.539 42.059 -0.944 0.000 1.219 550 L HN 0.643 nan 8.230 nan 0.000 0.439 551 I N 1.276 121.739 120.570 -0.179 0.000 4.082 551 I HA 0.452 4.623 4.170 0.001 0.000 0.337 551 I C 0.191 176.240 176.117 -0.114 0.000 1.352 551 I CA -0.333 60.907 61.300 -0.099 0.000 1.097 551 I CB -0.078 37.897 38.000 -0.041 0.000 1.048 551 I HN 0.513 nan 8.210 nan 0.000 0.393 552 K N 0.939 121.249 120.400 -0.150 0.000 2.557 552 K HA 0.410 4.730 4.320 0.001 0.000 0.261 552 K C -1.888 174.629 176.600 -0.138 0.000 0.932 552 K CA -0.477 55.745 56.287 -0.109 0.000 0.829 552 K CB 1.916 34.377 32.500 -0.065 0.000 1.358 552 K HN -0.003 nan 8.250 nan 0.000 0.430 553 D N 2.763 123.109 120.400 -0.090 0.000 2.934 553 D HA 0.136 4.776 4.640 0.001 0.000 0.249 553 D C -1.055 175.236 176.300 -0.016 0.000 1.293 553 D CA -0.049 53.905 54.000 -0.077 0.000 0.812 553 D CB 0.754 41.477 40.800 -0.127 0.000 1.439 553 D HN 0.648 nan 8.370 nan 0.000 0.555 554 T N -2.475 112.098 114.554 0.031 0.000 2.876 554 T HA 0.749 5.099 4.350 0.001 0.000 0.277 554 T C 1.547 176.310 174.700 0.105 0.000 0.997 554 T CA -0.003 62.126 62.100 0.048 0.000 0.966 554 T CB 1.303 70.197 68.868 0.043 0.000 1.312 554 T HN -0.026 nan 8.240 nan 0.000 0.598 555 A N 0.106 122.981 122.820 0.092 0.000 1.930 555 A HA 0.058 4.379 4.320 0.001 0.000 0.217 555 A C 2.306 180.037 177.584 0.245 0.000 1.175 555 A CA 1.851 53.954 52.037 0.111 0.000 0.627 555 A CB -1.042 17.998 19.000 0.067 0.000 0.815 555 A HN 0.877 nan 8.150 nan 0.000 0.443 556 M N -0.247 119.471 119.600 0.197 0.000 2.200 556 M HA -0.001 4.479 4.480 0.001 0.000 0.265 556 M C 0.627 177.022 176.300 0.159 0.000 1.066 556 M CA 1.719 57.142 55.300 0.205 0.000 1.127 556 M CB 0.055 32.733 32.600 0.131 0.000 1.379 556 M HN 0.515 nan 8.290 nan 0.000 0.420 557 S N -0.548 115.214 115.700 0.103 0.000 2.543 557 S HA 0.430 4.901 4.470 0.001 0.000 0.273 557 S C -1.157 173.438 174.600 -0.009 0.000 1.152 557 S CA -1.121 57.037 58.200 -0.071 0.000 0.910 557 S CB 1.308 64.514 63.200 0.010 0.000 1.105 557 S HN 0.273 nan 8.310 nan 0.000 0.465 558 K N 1.871 122.229 120.400 -0.070 0.000 2.307 558 K HA 0.578 4.898 4.320 0.001 0.000 0.263 558 K C -1.676 174.887 176.600 -0.060 0.000 0.973 558 K CA -0.851 55.422 56.287 -0.023 0.000 0.846 558 K CB 1.299 33.890 32.500 0.151 0.000 1.100 558 K HN 0.616 nan 8.250 nan 0.000 0.438 559 L N 5.484 126.592 121.223 -0.192 0.000 2.319 559 L HA 0.479 4.820 4.340 0.001 0.000 0.281 559 L C -1.873 174.890 176.870 -0.179 0.000 1.005 559 L CA -0.322 54.465 54.840 -0.088 0.000 0.828 559 L CB 0.571 42.611 42.059 -0.032 0.000 1.227 559 L HN 0.528 nan 8.230 nan 0.000 0.415 560 W N 5.760 127.139 121.300 0.131 0.000 2.469 560 W HA 0.581 5.241 4.660 0.000 0.000 0.320 560 W C -0.730 175.877 176.519 0.146 0.000 1.086 560 W CA -0.316 57.107 57.345 0.129 0.000 1.211 560 W CB 1.506 31.064 29.460 0.164 0.000 1.298 560 W HN 0.470 nan 8.180 nan 0.000 0.525 561 F N 3.883 123.930 119.950 0.162 0.000 2.581 561 F HA 0.621 5.149 4.527 0.001 0.000 0.311 561 F C -1.191 174.625 175.800 0.027 0.000 1.113 561 F CA -1.388 56.658 58.000 0.077 0.000 0.935 561 F CB 1.554 40.578 39.000 0.041 0.000 1.232 561 F HN 0.258 nan 8.300 nan 0.000 0.445 562 K N 5.215 124.973 120.400 -1.070 0.000 2.553 562 K HA 0.220 4.540 4.320 0.001 0.000 0.250 562 K C -1.713 174.354 176.600 -0.889 0.000 0.953 562 K CA -0.655 55.001 56.287 -1.050 0.000 0.800 562 K CB 2.110 34.287 32.500 -0.539 0.000 1.243 562 K HN 0.925 nan 8.250 nan 0.000 0.435 563 Q N 3.049 122.368 119.800 -0.802 0.000 2.288 563 Q HA 0.027 4.367 4.340 0.001 0.000 0.258 563 Q C -0.732 175.211 176.000 -0.095 0.000 0.957 563 Q CA -0.256 55.408 55.803 -0.233 0.000 0.919 563 Q CB 0.913 29.663 28.738 0.020 0.000 1.185 563 Q HN 0.578 nan 8.270 nan 0.000 0.408 564 D N 2.777 123.140 120.400 -0.061 0.000 2.533 564 D HA -0.129 4.512 4.640 0.001 0.000 0.236 564 D C -0.159 175.974 176.300 -0.278 0.000 1.137 564 D CA 0.533 54.450 54.000 -0.137 0.000 0.867 564 D CB 0.683 41.355 40.800 -0.214 0.000 1.170 564 D HN 0.615 nan 8.370 nan 0.000 0.474 565 D N 1.809 121.993 120.400 -0.361 0.000 2.540 565 D HA 0.081 4.721 4.640 0.001 0.000 0.229 565 D C 0.624 176.491 176.300 -0.722 0.000 1.250 565 D CA -0.169 53.571 54.000 -0.434 0.000 0.817 565 D CB 0.150 40.871 40.800 -0.131 0.000 1.060 565 D HN 0.289 nan 8.370 nan 0.000 0.508 566 K N -0.855 118.947 120.400 -0.996 0.000 2.344 566 K HA 0.327 4.647 4.320 0.001 0.000 0.200 566 K C 0.859 176.754 176.600 -1.175 0.000 1.132 566 K CA 0.416 56.051 56.287 -1.086 0.000 0.935 566 K CB 0.333 31.984 32.500 -1.414 0.000 1.089 566 K HN -0.016 nan 8.250 nan 0.000 0.496 567 F N -0.871 118.709 119.950 -0.617 0.000 2.622 567 F HA 0.272 4.799 4.527 0.001 0.000 0.288 567 F C -0.202 175.516 175.800 -0.137 0.000 1.120 567 F CA -0.379 57.460 58.000 -0.268 0.000 1.423 567 F CB 0.149 39.032 39.000 -0.194 0.000 1.127 567 F HN -0.185 nan 8.300 nan 0.000 0.588 568 F N 1.038 121.046 119.950 0.097 0.000 3.090 568 F HA -0.246 4.281 4.527 0.001 0.000 0.282 568 F C -0.190 175.663 175.800 0.088 0.000 0.923 568 F CA -0.282 57.757 58.000 0.064 0.000 0.977 568 F CB -2.165 36.857 39.000 0.037 0.000 0.954 568 F HN -0.125 nan 8.300 nan 0.000 0.695 569 L N 1.954 123.276 121.223 0.165 0.000 2.344 569 L HA 0.488 4.829 4.340 0.001 0.000 0.272 569 L C -1.732 175.136 176.870 -0.003 0.000 1.035 569 L CA -2.033 52.867 54.840 0.100 0.000 0.807 569 L CB 1.193 43.307 42.059 0.091 0.000 1.237 569 L HN -0.295 nan 8.230 nan 0.000 0.442 570 P HA 0.205 nan 4.420 nan 0.000 0.237 570 P C -1.196 176.127 177.300 0.037 0.000 1.788 570 P CA -0.056 63.006 63.100 -0.063 0.000 1.061 570 P CB 0.038 31.652 31.700 -0.143 0.000 1.967 571 K N 0.997 121.393 120.400 -0.006 0.000 2.556 571 K HA 0.822 5.142 4.320 0.001 0.000 0.274 571 K C -1.299 175.260 176.600 -0.067 0.000 0.966 571 K CA -0.800 55.462 56.287 -0.041 0.000 0.865 571 K CB 2.656 35.085 32.500 -0.119 0.000 1.444 571 K HN 0.172 nan 8.250 nan 0.000 0.433 572 A N 1.447 124.224 122.820 -0.071 0.000 2.572 572 A HA 0.647 4.967 4.320 0.001 0.000 0.295 572 A C -1.722 175.810 177.584 -0.086 0.000 1.072 572 A CA -0.890 51.102 52.037 -0.075 0.000 0.691 572 A CB 1.293 20.289 19.000 -0.006 0.000 1.291 572 A HN 0.598 nan 8.150 nan 0.000 0.404 573 N N 1.086 119.731 118.700 -0.092 0.000 2.417 573 N HA 0.569 5.309 4.740 0.001 0.000 0.274 573 N C -1.386 174.082 175.510 -0.071 0.000 0.987 573 N CA -0.166 52.832 53.050 -0.087 0.000 0.912 573 N CB 1.467 39.896 38.487 -0.096 0.000 1.177 573 N HN 0.545 nan 8.380 nan 0.000 0.490 574 L N 2.356 123.527 121.223 -0.086 0.000 2.318 574 L HA 0.483 4.823 4.340 0.001 0.000 0.277 574 L C -0.515 176.177 176.870 -0.298 0.000 1.008 574 L CA -0.826 53.935 54.840 -0.133 0.000 0.846 574 L CB 0.828 42.940 42.059 0.088 0.000 1.220 574 L HN 0.219 nan 8.230 nan 0.000 0.423 575 N N 3.279 121.618 118.700 -0.602 0.000 2.321 575 N HA 0.662 5.402 4.740 0.001 0.000 0.299 575 N C -1.223 173.789 175.510 -0.829 0.000 1.048 575 N CA -0.295 52.308 53.050 -0.744 0.000 0.836 575 N CB 2.138 39.849 38.487 -1.293 0.000 1.269 575 N HN 0.236 nan 8.380 nan 0.000 0.486 576 F N -0.033 119.777 119.950 -0.234 0.000 2.539 576 F HA 0.286 4.813 4.527 0.001 0.000 0.318 576 F C 0.379 176.156 175.800 -0.039 0.000 1.135 576 F CA -0.888 57.010 58.000 -0.170 0.000 0.915 576 F CB 2.021 40.728 39.000 -0.489 0.000 1.176 576 F HN 0.276 nan 8.300 nan 0.000 0.440 577 E N 3.025 123.364 120.200 0.231 0.000 2.133 577 E HA 0.472 4.822 4.350 0.001 0.000 0.274 577 E C -1.669 174.734 176.600 -0.329 0.000 0.930 577 E CA -0.355 56.050 56.400 0.009 0.000 0.770 577 E CB 0.636 30.285 29.700 -0.085 0.000 1.104 577 E HN 0.381 nan 8.360 nan 0.000 0.403 578 F N 5.252 125.211 119.950 0.016 0.000 2.334 578 F HA 0.367 4.895 4.527 0.001 0.000 0.367 578 F C -0.435 175.381 175.800 0.027 0.000 1.115 578 F CA -0.688 57.363 58.000 0.084 0.000 1.116 578 F CB 0.439 39.516 39.000 0.129 0.000 1.230 578 F HN 0.395 nan 8.300 nan 0.000 0.484 579 F N 2.083 122.267 119.950 0.389 0.000 2.427 579 F HA 0.430 4.957 4.527 0.001 0.000 0.352 579 F C 0.575 176.583 175.800 0.348 0.000 1.100 579 F CA -0.192 58.017 58.000 0.349 0.000 1.191 579 F CB 1.281 40.454 39.000 0.287 0.000 1.128 579 F HN 0.321 nan 8.300 nan 0.000 0.533 580 S N 4.388 120.401 115.700 0.522 0.000 2.592 580 S HA 0.381 4.851 4.470 0.001 0.000 0.275 580 S C -2.141 172.730 174.600 0.452 0.000 1.169 580 S CA -1.248 57.232 58.200 0.466 0.000 0.958 580 S CB 1.769 65.228 63.200 0.432 0.000 1.095 580 S HN 0.296 nan 8.310 nan 0.000 0.471 581 P HA 0.059 nan 4.420 nan 0.000 0.226 581 P C 1.016 178.376 177.300 0.101 0.000 1.153 581 P CA 0.673 63.905 63.100 0.220 0.000 0.777 581 P CB -0.152 31.588 31.700 0.066 0.000 0.794 582 F N 0.762 120.908 119.950 0.327 0.000 2.604 582 F HA 0.051 4.578 4.527 0.001 0.000 0.298 582 F C 2.502 178.647 175.800 0.574 0.000 1.131 582 F CA 0.821 59.068 58.000 0.411 0.000 1.457 582 F CB -0.886 38.325 39.000 0.352 0.000 1.095 582 F HN -0.040 nan 8.300 nan 0.000 0.574 583 A N -1.769 121.434 122.820 0.637 0.000 2.066 583 A HA -0.163 4.158 4.320 0.001 0.000 0.218 583 A C 1.403 179.382 177.584 0.659 0.000 1.157 583 A CA 1.222 53.645 52.037 0.642 0.000 0.670 583 A CB -0.648 18.664 19.000 0.519 0.000 0.804 583 A HN 0.549 nan 8.150 nan 0.000 0.453 584 Y N -2.312 118.227 120.300 0.399 0.000 2.825 584 Y HA 0.222 4.772 4.550 0.001 0.000 0.259 584 Y C 1.460 177.639 175.900 0.466 0.000 1.113 584 Y CA 0.092 58.446 58.100 0.424 0.000 1.241 584 Y CB 0.695 39.367 38.460 0.353 0.000 1.331 584 Y HN 0.007 nan 8.280 nan 0.000 0.570 585 V N 1.114 121.205 119.914 0.296 0.000 2.278 585 V HA -0.211 3.909 4.120 0.001 0.000 0.251 585 V C 0.374 176.533 176.094 0.108 0.000 1.062 585 V CA 2.632 64.991 62.300 0.099 0.000 1.038 585 V CB -0.148 31.529 31.823 -0.243 0.000 0.646 585 V HN 0.645 nan 8.190 nan 0.000 0.447 586 D N -3.972 116.361 120.400 -0.111 0.000 2.599 586 D HA 0.307 4.948 4.640 0.001 0.000 0.252 586 D C -2.355 173.416 176.300 -0.881 0.000 1.232 586 D CA -1.653 51.971 54.000 -0.626 0.000 0.819 586 D CB 0.853 41.386 40.800 -0.444 0.000 1.401 586 D HN -0.089 nan 8.370 nan 0.000 0.429 587 P HA -0.180 nan 4.420 nan 0.000 0.217 587 P C 1.761 178.872 177.300 -0.315 0.000 1.158 587 P CA 1.075 63.683 63.100 -0.819 0.000 0.887 587 P CB 0.136 31.435 31.700 -0.669 0.000 0.792 588 L N -1.249 119.848 121.223 -0.211 0.000 2.013 588 L HA -0.226 4.115 4.340 0.001 0.000 0.212 588 L C 2.374 179.192 176.870 -0.086 0.000 1.073 588 L CA 2.026 56.824 54.840 -0.070 0.000 0.753 588 L CB -1.308 40.772 42.059 0.035 0.000 0.890 588 L HN 0.150 nan 8.230 nan 0.000 0.432 589 H N -2.074 116.909 119.070 -0.144 0.000 2.436 589 H HA -0.052 4.505 4.556 0.001 0.000 0.294 589 H C 2.392 177.703 175.328 -0.029 0.000 1.048 589 H CA 1.246 57.238 56.048 -0.093 0.000 1.353 589 H CB 0.195 30.042 29.762 0.141 0.000 1.414 589 H HN 0.505 nan 8.280 nan 0.000 0.536 590 S N 1.056 116.846 115.700 0.151 0.000 2.368 590 S HA -0.135 4.335 4.470 0.001 0.000 0.224 590 S C 1.806 176.521 174.600 0.192 0.000 1.029 590 S CA 1.040 59.405 58.200 0.275 0.000 0.988 590 S CB -0.022 63.389 63.200 0.352 0.000 0.838 590 S HN 0.348 nan 8.310 nan 0.000 0.462 591 N N 1.334 120.097 118.700 0.106 0.000 2.149 591 N HA -0.040 4.700 4.740 0.001 0.000 0.188 591 N C 1.756 177.296 175.510 0.050 0.000 1.019 591 N CA 1.704 54.851 53.050 0.163 0.000 0.857 591 N CB -0.463 38.132 38.487 0.180 0.000 0.997 591 N HN 0.542 nan 8.380 nan 0.000 0.426 592 M N -0.007 119.475 119.600 -0.196 0.000 2.287 592 M HA 0.088 4.569 4.480 0.001 0.000 0.266 592 M C 2.223 178.384 176.300 -0.232 0.000 1.079 592 M CA 0.659 55.712 55.300 -0.412 0.000 1.146 592 M CB -0.136 31.790 32.600 -1.123 0.000 1.374 592 M HN 0.091 nan 8.290 nan 0.000 0.435 593 A N 0.062 122.823 122.820 -0.098 0.000 1.927 593 A HA -0.267 4.053 4.320 0.001 0.000 0.220 593 A C 2.001 179.747 177.584 0.270 0.000 1.185 593 A CA 1.906 54.181 52.037 0.397 0.000 0.639 593 A CB -1.170 18.116 19.000 0.477 0.000 0.820 593 A HN 0.613 nan 8.150 nan 0.000 0.451 594 Y N -0.483 119.845 120.300 0.046 0.000 2.133 594 Y HA -0.105 4.445 4.550 0.001 0.000 0.287 594 Y C 2.005 177.834 175.900 -0.118 0.000 1.134 594 Y CA 1.690 59.739 58.100 -0.085 0.000 1.133 594 Y CB -0.337 37.966 38.460 -0.263 0.000 0.987 594 Y HN 0.188 nan 8.280 nan 0.000 0.502 595 L N -0.178 121.003 121.223 -0.070 0.000 2.046 595 L HA -0.210 4.131 4.340 0.001 0.000 0.208 595 L C 2.330 179.234 176.870 0.057 0.000 1.077 595 L CA 1.868 56.677 54.840 -0.051 0.000 0.747 595 L CB -1.805 40.322 42.059 0.114 0.000 0.896 595 L HN 0.509 nan 8.230 nan 0.000 0.432 596 Y N -0.514 119.810 120.300 0.041 0.000 2.097 596 Y HA -0.266 4.284 4.550 0.001 0.000 0.282 596 Y C 2.288 178.165 175.900 -0.039 0.000 1.152 596 Y CA 1.541 59.717 58.100 0.126 0.000 1.136 596 Y CB -0.662 37.950 38.460 0.253 0.000 0.975 596 Y HN 0.087 nan 8.280 nan 0.000 0.498 597 L N 0.934 121.899 121.223 -0.431 0.000 2.079 597 L HA -0.171 4.169 4.340 0.001 0.000 0.210 597 L C 2.444 179.058 176.870 -0.427 0.000 1.081 597 L CA 1.715 56.219 54.840 -0.559 0.000 0.752 597 L CB -1.305 40.520 42.059 -0.390 0.000 0.896 597 L HN 0.253 nan 8.230 nan 0.000 0.433 598 E N -0.544 119.398 120.200 -0.430 0.000 2.110 598 E HA -0.152 4.198 4.350 0.001 0.000 0.193 598 E C 2.426 178.914 176.600 -0.185 0.000 0.988 598 E CA 0.908 57.098 56.400 -0.350 0.000 0.804 598 E CB -0.256 29.197 29.700 -0.413 0.000 0.745 598 E HN 0.411 nan 8.360 nan 0.000 0.458 599 L N 0.326 121.489 121.223 -0.100 0.000 2.056 599 L HA -0.119 4.222 4.340 0.001 0.000 0.207 599 L C 2.586 179.419 176.870 -0.063 0.000 1.078 599 L CA 0.548 55.442 54.840 0.090 0.000 0.749 599 L CB -0.264 42.028 42.059 0.389 0.000 0.901 599 L HN 0.150 nan 8.230 nan 0.000 0.433 600 L N -0.074 120.860 121.223 -0.482 0.000 1.989 600 L HA -0.295 4.046 4.340 0.001 0.000 0.211 600 L C 2.678 179.359 176.870 -0.315 0.000 1.071 600 L CA 1.783 56.160 54.840 -0.771 0.000 0.749 600 L CB -0.278 41.296 42.059 -0.808 0.000 0.890 600 L HN 0.288 nan 8.230 nan 0.000 0.431 601 K N -0.521 119.761 120.400 -0.197 0.000 2.097 601 K HA -0.258 4.062 4.320 0.001 0.000 0.206 601 K C 1.659 178.250 176.600 -0.014 0.000 1.049 601 K CA 1.860 58.120 56.287 -0.045 0.000 0.933 601 K CB -0.249 32.190 32.500 -0.102 0.000 0.717 601 K HN 0.343 nan 8.250 nan 0.000 0.442 602 D N 0.570 120.950 120.400 -0.032 0.000 2.117 602 D HA -0.143 4.497 4.640 0.001 0.000 0.197 602 D C 1.951 178.281 176.300 0.049 0.000 0.987 602 D CA 1.653 55.662 54.000 0.014 0.000 0.829 602 D CB 0.081 40.900 40.800 0.032 0.000 0.961 602 D HN 0.155 nan 8.370 nan 0.000 0.460 603 S N -0.968 114.770 115.700 0.062 0.000 2.478 603 S HA 0.041 4.511 4.470 0.001 0.000 0.222 603 S C 1.969 176.611 174.600 0.069 0.000 1.008 603 S CA -0.005 58.258 58.200 0.105 0.000 0.928 603 S CB -0.312 63.034 63.200 0.244 0.000 0.781 603 S HN 0.328 nan 8.310 nan 0.000 0.518 604 L N 1.780 123.025 121.223 0.037 0.000 2.492 604 L HA 0.100 4.440 4.340 0.001 0.000 0.223 604 L C 2.713 179.685 176.870 0.169 0.000 1.132 604 L CA 0.378 55.259 54.840 0.068 0.000 0.850 604 L CB -0.602 41.478 42.059 0.036 0.000 0.966 604 L HN 0.523 nan 8.230 nan 0.000 0.454 605 N N 0.940 119.719 118.700 0.132 0.000 2.036 605 N HA -0.263 4.478 4.740 0.001 0.000 0.195 605 N C 1.530 177.139 175.510 0.165 0.000 1.037 605 N CA 1.644 54.776 53.050 0.137 0.000 0.855 605 N CB 0.094 38.621 38.487 0.066 0.000 1.033 605 N HN 0.421 nan 8.380 nan 0.000 0.423 606 E N -0.882 119.405 120.200 0.144 0.000 2.160 606 E HA -0.230 4.120 4.350 0.001 0.000 0.195 606 E C 1.667 178.421 176.600 0.257 0.000 0.991 606 E CA 1.146 57.642 56.400 0.160 0.000 0.810 606 E CB -0.169 29.616 29.700 0.141 0.000 0.742 606 E HN 0.557 nan 8.360 nan 0.000 0.466 607 Y N 0.058 120.438 120.300 0.134 0.000 2.269 607 Y HA 0.074 4.624 4.550 0.001 0.000 0.294 607 Y C 2.068 178.064 175.900 0.160 0.000 1.120 607 Y CA 1.077 59.278 58.100 0.169 0.000 1.159 607 Y CB 0.010 38.547 38.460 0.128 0.000 1.024 607 Y HN -0.048 nan 8.280 nan 0.000 0.532 608 A N -0.767 122.201 122.820 0.246 0.000 2.167 608 A HA -0.109 4.212 4.320 0.001 0.000 0.214 608 A C 1.820 179.393 177.584 -0.018 0.000 1.151 608 A CA 0.742 52.801 52.037 0.037 0.000 0.735 608 A CB -1.293 17.840 19.000 0.222 0.000 0.802 608 A HN 0.725 nan 8.150 nan 0.000 0.467 609 Y N 0.877 121.150 120.300 -0.045 0.000 2.128 609 Y HA -0.206 4.344 4.550 0.001 0.000 0.284 609 Y C 2.590 178.436 175.900 -0.090 0.000 1.154 609 Y CA 1.362 59.411 58.100 -0.085 0.000 1.149 609 Y CB -0.498 37.889 38.460 -0.121 0.000 0.976 609 Y HN 0.322 nan 8.280 nan 0.000 0.505 610 A N 0.152 122.960 122.820 -0.021 0.000 1.902 610 A HA -0.087 4.233 4.320 0.001 0.000 0.217 610 A C 2.433 179.949 177.584 -0.114 0.000 1.181 610 A CA 1.834 53.885 52.037 0.022 0.000 0.623 610 A CB -1.481 17.663 19.000 0.239 0.000 0.818 610 A HN 0.574 nan 8.150 nan 0.000 0.443 611 A N -0.589 121.966 122.820 -0.441 0.000 1.933 611 A HA -0.194 4.126 4.320 0.001 0.000 0.218 611 A C 2.032 179.413 177.584 -0.340 0.000 1.175 611 A CA 1.757 53.335 52.037 -0.765 0.000 0.628 611 A CB -0.484 17.664 19.000 -1.419 0.000 0.814 611 A HN 0.640 nan 8.150 nan 0.000 0.444 612 E N -0.232 119.782 120.200 -0.310 0.000 2.072 612 E HA -0.122 4.229 4.350 0.001 0.000 0.191 612 E C 1.942 178.410 176.600 -0.220 0.000 0.985 612 E CA 0.823 57.075 56.400 -0.246 0.000 0.801 612 E CB -0.189 29.346 29.700 -0.276 0.000 0.750 612 E HN 0.646 nan 8.360 nan 0.000 0.452 613 L N 0.279 121.316 121.223 -0.310 0.000 2.129 613 L HA -0.186 4.155 4.340 0.001 0.000 0.212 613 L C 2.054 178.927 176.870 0.006 0.000 1.087 613 L CA 1.071 55.815 54.840 -0.160 0.000 0.757 613 L CB -0.302 41.681 42.059 -0.126 0.000 0.896 613 L HN 0.119 nan 8.230 nan 0.000 0.434 614 A N -0.471 122.369 122.820 0.033 0.000 2.411 614 A HA 0.400 4.720 4.320 0.001 0.000 0.251 614 A C 1.530 179.262 177.584 0.247 0.000 1.317 614 A CA 0.500 52.633 52.037 0.159 0.000 0.904 614 A CB -0.585 18.536 19.000 0.203 0.000 0.993 614 A HN 0.515 nan 8.150 nan 0.000 0.504 615 G N -1.054 107.823 108.800 0.129 0.000 2.153 615 G HA2 -0.214 3.747 3.960 0.001 0.000 0.252 615 G HA3 -0.214 3.747 3.960 0.001 0.000 0.252 615 G C 0.011 174.880 174.900 -0.053 0.000 0.994 615 G CA 0.463 45.593 45.100 0.050 0.000 0.698 615 G HN 0.641 nan 8.290 nan 0.000 0.521 616 L N 1.321 122.523 121.223 -0.035 0.000 2.316 616 L HA 0.661 5.001 4.340 0.001 0.000 0.280 616 L C -0.131 176.674 176.870 -0.108 0.000 1.006 616 L CA -0.418 54.374 54.840 -0.080 0.000 0.836 616 L CB 1.680 43.666 42.059 -0.122 0.000 1.221 616 L HN 0.139 nan 8.230 nan 0.000 0.418 617 S N 2.996 118.655 115.700 -0.068 0.000 2.568 617 S HA 0.716 5.186 4.470 0.001 0.000 0.302 617 S C -1.373 173.274 174.600 0.078 0.000 1.082 617 S CA -0.373 57.811 58.200 -0.027 0.000 1.009 617 S CB 1.622 64.778 63.200 -0.075 0.000 1.069 617 S HN 0.503 nan 8.310 nan 0.000 0.500 618 Y N 0.267 120.497 120.300 -0.116 0.000 2.562 618 Y HA 0.775 5.325 4.550 0.001 0.000 0.345 618 Y C -1.434 174.406 175.900 -0.100 0.000 1.045 618 Y CA -1.081 56.953 58.100 -0.110 0.000 1.028 618 Y CB 1.401 39.798 38.460 -0.105 0.000 1.297 618 Y HN 0.447 nan 8.280 nan 0.000 0.463 619 D N 2.806 123.048 120.400 -0.263 0.000 2.505 619 D HA 0.502 5.143 4.640 0.001 0.000 0.249 619 D C -2.089 174.092 176.300 -0.199 0.000 1.082 619 D CA -0.232 53.597 54.000 -0.285 0.000 0.839 619 D CB 2.115 42.848 40.800 -0.112 0.000 1.317 619 D HN 0.680 nan 8.370 nan 0.000 0.497 620 L N 4.113 125.229 121.223 -0.178 0.000 2.476 620 L HA 0.460 4.800 4.340 0.001 0.000 0.269 620 L C -1.586 175.265 176.870 -0.031 0.000 0.965 620 L CA -0.189 54.617 54.840 -0.057 0.000 0.845 620 L CB 1.374 43.437 42.059 0.006 0.000 1.259 620 L HN 0.589 nan 8.230 nan 0.000 0.403 621 Q N 2.408 122.257 119.800 0.082 0.000 2.472 621 Q HA 0.424 4.764 4.340 0.001 0.000 0.281 621 Q C -1.452 174.646 176.000 0.164 0.000 0.997 621 Q CA -0.982 54.878 55.803 0.095 0.000 0.828 621 Q CB 1.578 30.400 28.738 0.139 0.000 1.443 621 Q HN 0.747 nan 8.270 nan 0.000 0.390 622 N N 0.304 119.090 118.700 0.144 0.000 2.520 622 N HA 0.317 5.057 4.740 0.001 0.000 0.273 622 N C -0.238 175.380 175.510 0.181 0.000 1.155 622 N CA -0.057 53.115 53.050 0.203 0.000 0.967 622 N CB 1.317 39.952 38.487 0.246 0.000 1.092 622 N HN 0.766 nan 8.380 nan 0.000 0.457 623 T N -1.545 113.104 114.554 0.159 0.000 2.870 623 T HA 0.282 4.632 4.350 0.001 0.000 0.277 623 T C 1.302 175.925 174.700 -0.128 0.000 1.000 623 T CA -1.049 61.070 62.100 0.032 0.000 0.982 623 T CB 0.547 69.450 68.868 0.059 0.000 1.249 623 T HN 0.623 nan 8.240 nan 0.000 0.589 624 I N -2.002 118.299 120.570 -0.450 0.000 3.176 624 I HA 0.145 4.315 4.170 0.001 0.000 0.275 624 I C 0.864 176.640 176.117 -0.570 0.000 1.298 624 I CA 0.639 61.384 61.300 -0.925 0.000 1.445 624 I CB -0.566 36.737 38.000 -1.162 0.000 1.075 624 I HN 0.581 nan 8.210 nan 0.000 0.482 625 Y N 1.366 121.709 120.300 0.071 0.000 2.445 625 Y HA 0.521 5.072 4.550 0.001 0.000 0.247 625 Y C 1.514 177.544 175.900 0.216 0.000 1.129 625 Y CA 0.069 58.268 58.100 0.164 0.000 1.251 625 Y CB 1.063 39.603 38.460 0.133 0.000 1.176 625 Y HN 0.364 nan 8.280 nan 0.000 0.522 626 G N 0.237 109.226 108.800 0.315 0.000 2.350 626 G HA2 0.094 4.054 3.960 0.001 0.000 0.085 626 G HA3 0.094 4.054 3.960 0.001 0.000 0.085 626 G C -1.159 173.919 174.900 0.296 0.000 1.159 626 G CA -0.816 44.478 45.100 0.322 0.000 1.146 626 G HN -0.082 nan 8.290 nan 0.000 0.449 627 M N -0.018 119.774 119.600 0.321 0.000 2.572 627 M HA 0.639 5.120 4.480 0.001 0.000 0.299 627 M C -1.523 175.041 176.300 0.440 0.000 1.205 627 M CA -0.753 54.760 55.300 0.356 0.000 0.876 627 M CB 2.983 35.788 32.600 0.342 0.000 1.728 627 M HN 0.624 nan 8.290 nan 0.000 0.458 628 Y N 2.455 122.906 120.300 0.252 0.000 2.391 628 Y HA 0.764 5.314 4.550 0.001 0.000 0.341 628 Y C -2.152 173.892 175.900 0.239 0.000 0.965 628 Y CA -1.033 57.214 58.100 0.244 0.000 1.067 628 Y CB 1.347 39.927 38.460 0.201 0.000 1.199 628 Y HN 0.676 nan 8.280 nan 0.000 0.450 629 L N 6.491 127.532 121.223 -0.303 0.000 2.409 629 L HA 0.653 4.993 4.340 0.001 0.000 0.272 629 L C -1.303 175.277 176.870 -0.483 0.000 0.980 629 L CA -0.363 54.316 54.840 -0.267 0.000 0.826 629 L CB 1.805 43.954 42.059 0.151 0.000 1.268 629 L HN 0.898 nan 8.230 nan 0.000 0.407 630 S N 3.172 118.566 115.700 -0.509 0.000 2.548 630 S HA 0.773 5.243 4.470 0.001 0.000 0.286 630 S C -0.960 173.607 174.600 -0.056 0.000 1.098 630 S CA -0.748 57.299 58.200 -0.255 0.000 0.930 630 S CB 2.295 65.291 63.200 -0.339 0.000 1.070 630 S HN 0.237 nan 8.310 nan 0.000 0.480 631 V N 2.438 122.358 119.914 0.010 0.000 2.409 631 V HA 0.556 4.676 4.120 0.001 0.000 0.291 631 V C -0.323 175.762 176.094 -0.015 0.000 1.020 631 V CA -0.528 61.795 62.300 0.039 0.000 0.848 631 V CB 1.297 33.164 31.823 0.073 0.000 0.990 631 V HN 0.901 nan 8.190 nan 0.000 0.430 632 K N 2.730 123.107 120.400 -0.039 0.000 2.375 632 K HA 0.898 5.218 4.320 0.001 0.000 0.249 632 K C 0.189 176.727 176.600 -0.103 0.000 0.942 632 K CA -0.272 55.965 56.287 -0.083 0.000 0.806 632 K CB 2.567 35.004 32.500 -0.105 0.000 1.227 632 K HN 1.003 nan 8.250 nan 0.000 0.430 633 G N 0.586 109.298 108.800 -0.147 0.000 2.270 633 G HA2 -0.104 3.857 3.960 0.001 0.000 0.268 633 G HA3 -0.104 3.857 3.960 0.001 0.000 0.268 633 G C -1.704 173.085 174.900 -0.186 0.000 1.312 633 G CA -1.034 43.921 45.100 -0.242 0.000 1.050 633 G HN 0.338 nan 8.290 nan 0.000 0.474 634 Y N 2.475 122.779 120.300 0.006 0.000 2.610 634 Y HA 0.169 4.719 4.550 0.001 0.000 0.332 634 Y C 2.237 178.135 175.900 -0.004 0.000 1.201 634 Y CA 0.504 58.611 58.100 0.012 0.000 1.465 634 Y CB 0.527 39.033 38.460 0.077 0.000 1.283 634 Y HN 0.623 nan 8.280 nan 0.000 0.563 635 N N 0.872 119.653 118.700 0.136 0.000 2.354 635 N HA -0.188 4.552 4.740 0.001 0.000 0.179 635 N C 1.161 176.707 175.510 0.060 0.000 1.021 635 N CA 1.107 54.199 53.050 0.071 0.000 0.887 635 N CB -0.143 38.372 38.487 0.046 0.000 0.974 635 N HN 0.740 nan 8.380 nan 0.000 0.437 636 D N 1.798 122.218 120.400 0.033 0.000 2.160 636 D HA -0.178 4.463 4.640 0.001 0.000 0.189 636 D C 1.030 177.346 176.300 0.026 0.000 1.003 636 D CA 1.657 55.642 54.000 -0.025 0.000 0.846 636 D CB -0.044 40.670 40.800 -0.143 0.000 0.949 636 D HN 0.294 nan 8.370 nan 0.000 0.446 637 K N -0.403 120.050 120.400 0.088 0.000 2.397 637 K HA 0.149 4.470 4.320 0.001 0.000 0.202 637 K C 1.893 178.595 176.600 0.170 0.000 1.022 637 K CA -0.201 56.175 56.287 0.148 0.000 1.141 637 K CB 0.469 33.126 32.500 0.261 0.000 0.857 637 K HN 0.270 nan 8.250 nan 0.000 0.514 638 Q N 0.686 120.554 119.800 0.114 0.000 2.096 638 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 638 Q C -0.981 175.074 176.000 0.092 0.000 0.982 638 Q CA 1.599 57.457 55.803 0.091 0.000 0.850 638 Q CB -0.725 28.056 28.738 0.073 0.000 0.901 638 Q HN 0.194 nan 8.270 nan 0.000 0.422 639 P HA -0.156 nan 4.420 nan 0.000 0.217 639 P C 0.954 178.303 177.300 0.081 0.000 1.150 639 P CA 0.994 64.139 63.100 0.075 0.000 0.832 639 P CB -0.054 31.681 31.700 0.059 0.000 0.787 640 I N -1.088 119.552 120.570 0.117 0.000 2.208 640 I HA -0.184 3.986 4.170 0.001 0.000 0.245 640 I C 2.208 178.444 176.117 0.198 0.000 1.097 640 I CA 1.348 62.739 61.300 0.152 0.000 1.363 640 I CB -1.886 36.224 38.000 0.183 0.000 1.051 640 I HN -0.006 nan 8.210 nan 0.000 0.413 641 L N 0.190 121.541 121.223 0.213 0.000 2.095 641 L HA -0.030 4.310 4.340 0.001 0.000 0.204 641 L C 2.369 179.227 176.870 -0.020 0.000 1.080 641 L CA 1.361 56.291 54.840 0.150 0.000 0.759 641 L CB -0.647 41.414 42.059 0.004 0.000 0.914 641 L HN 0.095 nan 8.230 nan 0.000 0.439 642 L N 0.014 121.221 121.223 -0.026 0.000 1.997 642 L HA -0.341 3.999 4.340 0.001 0.000 0.216 642 L C 2.718 179.534 176.870 -0.090 0.000 1.074 642 L CA 2.487 57.285 54.840 -0.070 0.000 0.763 642 L CB -0.398 41.657 42.059 -0.006 0.000 0.890 642 L HN 0.460 nan 8.230 nan 0.000 0.434 643 K N 0.402 120.780 120.400 -0.037 0.000 2.063 643 K HA -0.284 4.036 4.320 0.001 0.000 0.208 643 K C 2.101 178.647 176.600 -0.090 0.000 1.048 643 K CA 2.011 58.270 56.287 -0.047 0.000 0.928 643 K CB -0.199 32.296 32.500 -0.008 0.000 0.713 643 K HN 0.039 nan 8.250 nan 0.000 0.442 644 K N 0.601 120.952 120.400 -0.082 0.000 2.063 644 K HA -0.065 4.255 4.320 0.001 0.000 0.208 644 K C 1.812 178.275 176.600 -0.229 0.000 1.048 644 K CA 1.762 57.951 56.287 -0.164 0.000 0.928 644 K CB -0.257 32.138 32.500 -0.176 0.000 0.713 644 K HN 0.290 nan 8.250 nan 0.000 0.442 645 I N 0.533 120.957 120.570 -0.243 0.000 2.142 645 I HA -0.281 3.889 4.170 0.001 0.000 0.240 645 I C 1.853 177.819 176.117 -0.252 0.000 1.078 645 I CA 0.852 61.972 61.300 -0.299 0.000 1.343 645 I CB -0.316 37.456 38.000 -0.380 0.000 1.046 645 I HN 0.133 nan 8.210 nan 0.000 0.405 646 I N 0.612 121.050 120.570 -0.220 0.000 2.226 646 I HA -0.260 3.911 4.170 0.001 0.000 0.245 646 I C 2.455 178.463 176.117 -0.183 0.000 1.100 646 I CA 1.623 62.799 61.300 -0.206 0.000 1.374 646 I CB -1.469 36.432 38.000 -0.165 0.000 1.057 646 I HN 0.356 nan 8.210 nan 0.000 0.413 647 E N 0.834 120.926 120.200 -0.181 0.000 2.038 647 E HA -0.292 4.059 4.350 0.001 0.000 0.195 647 E C 2.176 178.637 176.600 -0.232 0.000 1.000 647 E CA 1.744 58.003 56.400 -0.234 0.000 0.803 647 E CB -0.062 29.505 29.700 -0.223 0.000 0.750 647 E HN 0.257 nan 8.360 nan 0.000 0.448 648 K N 0.466 120.746 120.400 -0.200 0.000 2.148 648 K HA -0.094 4.227 4.320 0.001 0.000 0.204 648 K C 1.976 178.516 176.600 -0.100 0.000 1.050 648 K CA 1.087 57.286 56.287 -0.147 0.000 0.942 648 K CB -0.018 32.368 32.500 -0.190 0.000 0.724 648 K HN 0.059 nan 8.250 nan 0.000 0.446 649 M N -0.530 118.978 119.600 -0.152 0.000 2.080 649 M HA -0.155 4.326 4.480 0.001 0.000 0.260 649 M C 1.921 178.245 176.300 0.041 0.000 1.068 649 M CA 1.930 57.186 55.300 -0.075 0.000 1.109 649 M CB -0.198 32.307 32.600 -0.159 0.000 1.342 649 M HN 0.273 nan 8.290 nan 0.000 0.405 650 A N -0.838 121.952 122.820 -0.051 0.000 2.251 650 A HA 0.026 4.346 4.320 0.001 0.000 0.209 650 A C 1.514 179.079 177.584 -0.031 0.000 1.187 650 A CA 1.270 53.283 52.037 -0.041 0.000 0.823 650 A CB -0.539 18.431 19.000 -0.051 0.000 0.846 650 A HN 0.579 nan 8.150 nan 0.000 0.486 651 T N -5.122 109.420 114.554 -0.021 0.000 3.328 651 T HA 0.271 4.622 4.350 0.001 0.000 0.305 651 T C -0.126 174.611 174.700 0.062 0.000 0.939 651 T CA -0.480 61.602 62.100 -0.030 0.000 0.950 651 T CB -0.749 68.022 68.868 -0.162 0.000 1.182 651 T HN 0.060 nan 8.240 nan 0.000 0.545 652 F N 4.811 124.734 119.950 -0.045 0.000 2.608 652 F HA 0.306 4.833 4.527 0.001 0.000 0.380 652 F C 0.499 176.292 175.800 -0.012 0.000 1.083 652 F CA -1.040 56.956 58.000 -0.005 0.000 1.266 652 F CB 0.508 39.566 39.000 0.097 0.000 1.076 652 F HN 0.424 nan 8.300 nan 0.000 0.574 653 E N 6.859 126.756 120.200 -0.505 0.000 2.191 653 E HA 0.400 4.751 4.350 0.001 0.000 0.263 653 E C -1.010 175.106 176.600 -0.806 0.000 0.881 653 E CA -0.762 55.306 56.400 -0.554 0.000 0.757 653 E CB 1.419 30.966 29.700 -0.256 0.000 1.147 653 E HN 0.558 nan 8.360 nan 0.000 0.414 654 I N 2.608 122.751 120.570 -0.711 0.000 2.529 654 I HA 0.006 4.177 4.170 0.001 0.000 0.284 654 I C 0.474 176.446 176.117 -0.241 0.000 1.082 654 I CA -0.152 60.832 61.300 -0.526 0.000 1.406 654 I CB 0.549 38.359 38.000 -0.318 0.000 1.405 654 I HN 0.556 nan 8.210 nan 0.000 0.548 655 D N 5.584 125.917 120.400 -0.112 0.000 2.317 655 D HA -0.010 4.630 4.640 0.001 0.000 0.252 655 D C 0.964 177.281 176.300 0.028 0.000 1.174 655 D CA 0.019 53.997 54.000 -0.036 0.000 0.866 655 D CB 1.088 41.891 40.800 0.006 0.000 1.127 655 D HN 0.624 nan 8.370 nan 0.000 0.467 656 E N 3.454 123.660 120.200 0.010 0.000 2.118 656 E HA -0.227 4.123 4.350 0.001 0.000 0.195 656 E C 1.327 178.027 176.600 0.166 0.000 0.992 656 E CA 1.017 57.460 56.400 0.071 0.000 0.804 656 E CB 0.318 30.031 29.700 0.022 0.000 0.741 656 E HN 0.315 nan 8.360 nan 0.000 0.458 657 K N 0.259 120.716 120.400 0.095 0.000 2.025 657 K HA -0.085 4.236 4.320 0.001 0.000 0.207 657 K C 2.210 178.865 176.600 0.091 0.000 1.049 657 K CA 0.743 57.077 56.287 0.078 0.000 0.933 657 K CB -0.077 32.441 32.500 0.030 0.000 0.714 657 K HN 0.082 nan 8.250 nan 0.000 0.438 658 R N 0.036 120.594 120.500 0.096 0.000 2.105 658 R HA -0.156 4.184 4.340 0.001 0.000 0.239 658 R C 2.225 178.605 176.300 0.133 0.000 1.135 658 R CA 1.151 57.312 56.100 0.101 0.000 0.967 658 R CB -0.725 29.641 30.300 0.110 0.000 0.861 658 R HN 0.259 nan 8.270 nan 0.000 0.442 659 F N 2.361 122.337 119.950 0.043 0.000 2.113 659 F HA -0.111 4.416 4.527 0.001 0.000 0.297 659 F C 2.173 178.008 175.800 0.059 0.000 1.103 659 F CA 1.321 59.355 58.000 0.056 0.000 1.248 659 F CB -0.088 38.936 39.000 0.040 0.000 0.999 659 F HN -0.130 nan 8.300 nan 0.000 0.475 660 E N 0.926 121.121 120.200 -0.008 0.000 2.085 660 E HA -0.220 4.131 4.350 0.001 0.000 0.194 660 E C 2.433 178.961 176.600 -0.120 0.000 0.994 660 E CA 1.827 58.157 56.400 -0.116 0.000 0.801 660 E CB -0.595 29.139 29.700 0.057 0.000 0.743 660 E HN 0.546 nan 8.360 nan 0.000 0.453 661 I N 0.490 121.037 120.570 -0.038 0.000 2.286 661 I HA -0.217 3.954 4.170 0.001 0.000 0.245 661 I C 2.398 178.505 176.117 -0.016 0.000 1.104 661 I CA 0.760 62.054 61.300 -0.010 0.000 1.397 661 I CB -0.138 37.875 38.000 0.022 0.000 1.072 661 I HN 0.017 nan 8.210 nan 0.000 0.417 662 I N 0.555 121.108 120.570 -0.029 0.000 2.394 662 I HA -0.269 3.901 4.170 0.001 0.000 0.251 662 I C 2.548 178.674 176.117 0.015 0.000 1.136 662 I CA 1.142 62.445 61.300 0.004 0.000 1.425 662 I CB -0.251 37.754 38.000 0.009 0.000 1.079 662 I HN 0.159 nan 8.210 nan 0.000 0.425 663 K N 0.900 121.222 120.400 -0.130 0.000 2.026 663 K HA -0.252 4.069 4.320 0.001 0.000 0.208 663 K C 2.232 178.832 176.600 0.001 0.000 1.048 663 K CA 1.494 57.722 56.287 -0.099 0.000 0.929 663 K CB -0.074 32.189 32.500 -0.395 0.000 0.713 663 K HN 0.120 nan 8.250 nan 0.000 0.439 664 E N 0.342 120.521 120.200 -0.036 0.000 2.150 664 E HA -0.154 4.197 4.350 0.001 0.000 0.193 664 E C 1.660 178.274 176.600 0.023 0.000 0.985 664 E CA 1.180 57.573 56.400 -0.012 0.000 0.814 664 E CB -0.009 29.683 29.700 -0.014 0.000 0.752 664 E HN 0.422 nan 8.360 nan 0.000 0.466 665 A N 0.234 123.090 122.820 0.059 0.000 1.897 665 A HA -0.171 4.149 4.320 0.001 0.000 0.215 665 A C 2.086 179.755 177.584 0.141 0.000 1.181 665 A CA 1.185 53.273 52.037 0.084 0.000 0.620 665 A CB -0.825 18.229 19.000 0.089 0.000 0.821 665 A HN 0.410 nan 8.150 nan 0.000 0.443 666 Y N -0.094 120.219 120.300 0.021 0.000 2.181 666 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 666 Y C 2.229 178.104 175.900 -0.042 0.000 1.146 666 Y CA 1.993 60.097 58.100 0.007 0.000 1.164 666 Y CB -0.511 37.985 38.460 0.059 0.000 0.982 666 Y HN 0.349 nan 8.280 nan 0.000 0.515 667 M N 0.537 120.034 119.600 -0.171 0.000 2.065 667 M HA -0.193 4.287 4.480 0.001 0.000 0.259 667 M C 2.199 178.405 176.300 -0.156 0.000 1.069 667 M CA 1.890 57.051 55.300 -0.232 0.000 1.110 667 M CB -0.492 32.037 32.600 -0.120 0.000 1.328 667 M HN 0.122 nan 8.290 nan 0.000 0.405 668 R N -0.418 120.041 120.500 -0.067 0.000 2.096 668 R HA -0.120 4.221 4.340 0.001 0.000 0.235 668 R C 2.401 178.685 176.300 -0.026 0.000 1.127 668 R CA 1.811 57.892 56.100 -0.032 0.000 0.968 668 R CB -0.704 29.594 30.300 -0.003 0.000 0.861 668 R HN 0.693 nan 8.270 nan 0.000 0.440 669 S N 0.726 116.416 115.700 -0.017 0.000 2.406 669 S HA -0.052 4.418 4.470 0.001 0.000 0.228 669 S C 2.053 176.623 174.600 -0.050 0.000 1.020 669 S CA 0.645 58.848 58.200 0.004 0.000 0.965 669 S CB -0.303 62.939 63.200 0.070 0.000 0.798 669 S HN 0.196 nan 8.310 nan 0.000 0.488 670 L N 1.729 122.840 121.223 -0.188 0.000 2.017 670 L HA -0.099 4.241 4.340 0.001 0.000 0.208 670 L C 2.688 179.517 176.870 -0.068 0.000 1.073 670 L CA 1.375 56.096 54.840 -0.197 0.000 0.745 670 L CB -0.904 40.946 42.059 -0.347 0.000 0.894 670 L HN 0.299 nan 8.230 nan 0.000 0.432 671 N N 0.668 119.333 118.700 -0.059 0.000 2.149 671 N HA -0.195 4.545 4.740 0.001 0.000 0.188 671 N C 1.449 176.986 175.510 0.046 0.000 1.019 671 N CA 1.482 54.532 53.050 0.000 0.000 0.857 671 N CB -0.702 37.778 38.487 -0.012 0.000 0.997 671 N HN 0.477 nan 8.380 nan 0.000 0.426 672 N N 0.019 118.744 118.700 0.042 0.000 2.585 672 N HA -0.105 4.635 4.740 0.001 0.000 0.188 672 N C 1.162 176.724 175.510 0.087 0.000 1.102 672 N CA -0.000 53.083 53.050 0.055 0.000 0.920 672 N CB -0.202 38.314 38.487 0.048 0.000 0.963 672 N HN 0.141 nan 8.380 nan 0.000 0.447 673 F N 2.401 122.317 119.950 -0.056 0.000 2.269 673 F HA -0.084 4.443 4.527 0.001 0.000 0.301 673 F C 2.360 178.201 175.800 0.068 0.000 1.082 673 F CA 1.023 58.978 58.000 -0.075 0.000 1.360 673 F CB -0.124 38.734 39.000 -0.236 0.000 1.041 673 F HN -0.060 nan 8.300 nan 0.000 0.512 674 R N 0.568 121.090 120.500 0.037 0.000 2.170 674 R HA -0.171 4.170 4.340 0.001 0.000 0.242 674 R C 1.657 177.991 176.300 0.057 0.000 1.145 674 R CA 1.472 57.618 56.100 0.075 0.000 0.984 674 R CB -0.529 29.821 30.300 0.083 0.000 0.869 674 R HN 0.342 nan 8.270 nan 0.000 0.455 675 A N 0.536 123.354 122.820 -0.004 0.000 2.308 675 A HA 0.135 4.456 4.320 0.001 0.000 0.217 675 A C -0.075 177.510 177.584 0.003 0.000 1.216 675 A CA -0.331 51.720 52.037 0.025 0.000 0.864 675 A CB 0.129 19.147 19.000 0.030 0.000 0.902 675 A HN 0.195 nan 8.150 nan 0.000 0.499 676 E N 0.922 120.975 120.200 -0.245 0.000 2.436 676 E HA 0.072 4.422 4.350 0.001 0.000 0.262 676 E C 0.078 176.250 176.600 -0.713 0.000 1.063 676 E CA 0.125 56.274 56.400 -0.418 0.000 0.944 676 E CB 0.161 29.486 29.700 -0.625 0.000 0.950 676 E HN 0.512 nan 8.360 nan 0.000 0.444 677 Q N 2.308 121.674 119.800 -0.723 0.000 2.386 677 Q HA -0.032 4.308 4.340 0.001 0.000 0.282 677 Q C -1.471 174.058 176.000 -0.785 0.000 1.050 677 Q CA -0.738 54.521 55.803 -0.907 0.000 0.918 677 Q CB 0.305 28.709 28.738 -0.556 0.000 1.266 677 Q HN 0.223 nan 8.270 nan 0.000 0.423 678 P HA -0.265 nan 4.420 nan 0.000 0.216 678 P C 0.722 177.962 177.300 -0.100 0.000 1.153 678 P CA 1.619 64.559 63.100 -0.268 0.000 0.858 678 P CB -0.053 31.602 31.700 -0.075 0.000 0.789 679 H N -0.584 118.442 119.070 -0.072 0.000 2.457 679 H HA -0.010 4.547 4.556 0.001 0.000 0.294 679 H C 1.545 176.892 175.328 0.032 0.000 1.064 679 H CA 1.088 57.147 56.048 0.019 0.000 1.330 679 H CB -0.755 29.023 29.762 0.026 0.000 1.395 679 H HN 0.224 nan 8.280 nan 0.000 0.541 680 Q N 0.426 119.834 119.800 -0.654 0.000 2.083 680 Q HA -0.071 4.269 4.340 0.001 0.000 0.198 680 Q C 2.207 178.218 176.000 0.017 0.000 0.969 680 Q CA 0.988 56.601 55.803 -0.316 0.000 0.838 680 Q CB -0.128 28.393 28.738 -0.362 0.000 0.900 680 Q HN 0.738 nan 8.270 nan 0.000 0.436 681 H N 0.116 119.050 119.070 -0.226 0.000 2.319 681 H HA -0.186 4.370 4.556 0.001 0.000 0.297 681 H C 2.164 177.466 175.328 -0.045 0.000 1.097 681 H CA 0.704 56.650 56.048 -0.169 0.000 1.285 681 H CB 0.036 29.717 29.762 -0.134 0.000 1.368 681 H HN 0.341 nan 8.280 nan 0.000 0.495 682 A N 1.147 124.114 122.820 0.245 0.000 1.908 682 A HA -0.216 4.104 4.320 0.001 0.000 0.218 682 A C 2.448 180.170 177.584 0.231 0.000 1.181 682 A CA 1.834 54.055 52.037 0.307 0.000 0.627 682 A CB -0.605 18.564 19.000 0.282 0.000 0.818 682 A HN 0.319 nan 8.150 nan 0.000 0.445 683 M N -2.387 117.315 119.600 0.169 0.000 2.254 683 M HA -0.057 4.424 4.480 0.001 0.000 0.265 683 M C 2.233 178.596 176.300 0.106 0.000 1.066 683 M CA 1.639 57.013 55.300 0.123 0.000 1.123 683 M CB -0.412 32.244 32.600 0.093 0.000 1.388 683 M HN 0.645 nan 8.290 nan 0.000 0.425 684 Y N 0.383 120.667 120.300 -0.027 0.000 2.184 684 Y HA -0.235 4.315 4.550 0.001 0.000 0.290 684 Y C 1.932 177.779 175.900 -0.087 0.000 1.129 684 Y CA 1.446 59.488 58.100 -0.097 0.000 1.144 684 Y CB -0.493 37.907 38.460 -0.099 0.000 0.995 684 Y HN 0.053 nan 8.280 nan 0.000 0.513 685 Y N -0.077 120.199 120.300 -0.039 0.000 2.165 685 Y HA -0.239 4.311 4.550 0.001 0.000 0.286 685 Y C 2.425 178.180 175.900 -0.243 0.000 1.155 685 Y CA 1.391 59.366 58.100 -0.208 0.000 1.164 685 Y CB -1.305 37.196 38.460 0.069 0.000 0.978 685 Y HN 0.286 nan 8.280 nan 0.000 0.513 686 L N 0.219 121.473 121.223 0.052 0.000 2.042 686 L HA -0.205 4.135 4.340 0.001 0.000 0.210 686 L C 2.443 179.261 176.870 -0.086 0.000 1.076 686 L CA 1.707 56.544 54.840 -0.006 0.000 0.749 686 L CB -0.519 41.564 42.059 0.040 0.000 0.893 686 L HN 0.002 nan 8.230 nan 0.000 0.432 687 R N -1.063 119.362 120.500 -0.125 0.000 2.081 687 R HA -0.114 4.226 4.340 0.001 0.000 0.235 687 R C 2.252 178.434 176.300 -0.195 0.000 1.131 687 R CA 1.704 57.715 56.100 -0.148 0.000 0.960 687 R CB -0.373 29.844 30.300 -0.138 0.000 0.856 687 R HN 0.376 nan 8.270 nan 0.000 0.436 688 L N -0.026 121.019 121.223 -0.297 0.000 2.046 688 L HA -0.190 4.151 4.340 0.001 0.000 0.208 688 L C 2.178 178.921 176.870 -0.212 0.000 1.077 688 L CA 1.223 55.880 54.840 -0.306 0.000 0.747 688 L CB -0.422 41.391 42.059 -0.410 0.000 0.896 688 L HN 0.234 nan 8.230 nan 0.000 0.432 689 L N -1.147 119.958 121.223 -0.197 0.000 2.141 689 L HA -0.169 4.172 4.340 0.001 0.000 0.209 689 L C 2.372 179.284 176.870 0.070 0.000 1.094 689 L CA 0.844 55.620 54.840 -0.107 0.000 0.763 689 L CB -0.248 41.662 42.059 -0.248 0.000 0.908 689 L HN 0.329 nan 8.230 nan 0.000 0.437 690 M N -1.399 118.217 119.600 0.026 0.000 2.509 690 M HA 0.118 4.598 4.480 0.001 0.000 0.250 690 M C 0.395 176.714 176.300 0.032 0.000 1.132 690 M CA 0.522 55.876 55.300 0.089 0.000 1.080 690 M CB -0.351 32.312 32.600 0.106 0.000 1.408 690 M HN 0.037 nan 8.290 nan 0.000 0.484 691 T N 0.097 114.625 114.554 -0.044 0.000 2.859 691 T HA 0.181 4.531 4.350 0.001 0.000 0.281 691 T C 1.101 175.715 174.700 -0.143 0.000 1.005 691 T CA -0.531 61.523 62.100 -0.077 0.000 1.025 691 T CB 2.608 71.392 68.868 -0.139 0.000 0.977 691 T HN 0.278 nan 8.240 nan 0.000 0.458 692 E N 2.094 122.222 120.200 -0.121 0.000 2.049 692 E HA -0.120 4.230 4.350 0.001 0.000 0.198 692 E C -0.037 176.366 176.600 -0.329 0.000 1.007 692 E CA 1.157 57.464 56.400 -0.154 0.000 0.809 692 E CB 0.210 29.892 29.700 -0.029 0.000 0.749 692 E HN 0.403 nan 8.360 nan 0.000 0.450 693 V N 0.161 119.717 119.914 -0.597 0.000 2.588 693 V HA 0.711 4.832 4.120 0.001 0.000 0.304 693 V C -0.621 175.010 176.094 -0.771 0.000 1.042 693 V CA -0.222 61.599 62.300 -0.798 0.000 0.877 693 V CB 1.467 32.693 31.823 -0.995 0.000 0.996 693 V HN 0.353 nan 8.190 nan 0.000 0.425 694 A N 3.986 126.300 122.820 -0.843 0.000 2.532 694 A HA 0.715 5.036 4.320 0.001 0.000 0.296 694 A C -1.769 175.374 177.584 -0.734 0.000 1.058 694 A CA -0.644 51.063 52.037 -0.550 0.000 0.729 694 A CB 0.887 19.685 19.000 -0.336 0.000 1.285 694 A HN 0.777 nan 8.150 nan 0.000 0.396 695 W N 1.762 123.016 121.300 -0.077 0.000 2.417 695 W HA 0.559 5.219 4.660 0.001 0.000 0.317 695 W C 0.989 177.493 176.519 -0.026 0.000 1.121 695 W CA -0.234 57.046 57.345 -0.108 0.000 1.208 695 W CB 1.938 31.278 29.460 -0.201 0.000 1.253 695 W HN 0.825 nan 8.180 nan 0.000 0.533 696 T N -0.636 114.060 114.554 0.238 0.000 2.874 696 T HA 0.207 4.558 4.350 0.001 0.000 0.281 696 T C 1.190 175.988 174.700 0.162 0.000 0.994 696 T CA -0.764 61.447 62.100 0.184 0.000 1.015 696 T CB 1.321 70.284 68.868 0.158 0.000 1.028 696 T HN 0.375 nan 8.240 nan 0.000 0.523 697 K N 1.013 121.494 120.400 0.136 0.000 2.103 697 K HA -0.128 4.193 4.320 0.001 0.000 0.207 697 K C 1.665 178.265 176.600 0.001 0.000 1.048 697 K CA 1.575 57.849 56.287 -0.021 0.000 0.930 697 K CB -0.510 31.887 32.500 -0.172 0.000 0.716 697 K HN 0.663 nan 8.250 nan 0.000 0.444 698 D N 1.078 121.513 120.400 0.059 0.000 2.144 698 D HA -0.124 4.516 4.640 0.001 0.000 0.200 698 D C 1.885 178.195 176.300 0.016 0.000 0.978 698 D CA 0.960 54.983 54.000 0.038 0.000 0.833 698 D CB -0.046 40.794 40.800 0.067 0.000 0.961 698 D HN 0.393 nan 8.370 nan 0.000 0.470 699 E N 0.433 120.658 120.200 0.041 0.000 2.051 699 E HA -0.106 4.244 4.350 0.001 0.000 0.192 699 E C 2.417 178.986 176.600 -0.051 0.000 0.991 699 E CA 0.502 56.905 56.400 0.006 0.000 0.799 699 E CB -0.098 29.643 29.700 0.069 0.000 0.748 699 E HN 0.240 nan 8.360 nan 0.000 0.449 700 L N 1.160 122.366 121.223 -0.027 0.000 2.046 700 L HA -0.206 4.135 4.340 0.001 0.000 0.208 700 L C 2.676 179.484 176.870 -0.104 0.000 1.077 700 L CA 1.296 56.101 54.840 -0.058 0.000 0.747 700 L CB -0.484 41.564 42.059 -0.019 0.000 0.896 700 L HN 0.081 nan 8.230 nan 0.000 0.432 701 K N 0.376 120.707 120.400 -0.116 0.000 2.097 701 K HA -0.181 4.139 4.320 0.001 0.000 0.205 701 K C 1.916 178.464 176.600 -0.087 0.000 1.050 701 K CA 1.244 57.449 56.287 -0.138 0.000 0.938 701 K CB -0.001 32.425 32.500 -0.123 0.000 0.718 701 K HN 0.300 nan 8.250 nan 0.000 0.442 702 E N 0.226 120.389 120.200 -0.062 0.000 2.051 702 E HA -0.170 4.181 4.350 0.001 0.000 0.192 702 E C 1.857 178.425 176.600 -0.053 0.000 0.991 702 E CA 1.246 57.617 56.400 -0.048 0.000 0.799 702 E CB -0.108 29.570 29.700 -0.037 0.000 0.748 702 E HN 0.483 nan 8.360 nan 0.000 0.449 703 A N 0.790 123.567 122.820 -0.071 0.000 2.172 703 A HA -0.115 4.205 4.320 0.001 0.000 0.216 703 A C 1.984 179.545 177.584 -0.037 0.000 1.154 703 A CA 0.542 52.538 52.037 -0.069 0.000 0.701 703 A CB -0.245 18.686 19.000 -0.116 0.000 0.789 703 A HN 0.172 nan 8.150 nan 0.000 0.465 704 L N 0.215 121.417 121.223 -0.036 0.000 2.109 704 L HA -0.099 4.242 4.340 0.001 0.000 0.207 704 L C 1.551 178.426 176.870 0.009 0.000 1.086 704 L CA 2.043 56.880 54.840 -0.005 0.000 0.760 704 L CB -0.591 41.440 42.059 -0.047 0.000 0.910 704 L HN 0.402 nan 8.230 nan 0.000 0.437 705 D N -0.374 120.023 120.400 -0.006 0.000 2.265 705 D HA -0.188 4.452 4.640 0.001 0.000 0.208 705 D C 1.073 177.390 176.300 0.028 0.000 0.977 705 D CA 1.238 55.243 54.000 0.010 0.000 0.871 705 D CB 0.005 40.806 40.800 0.000 0.000 0.925 705 D HN 0.441 nan 8.370 nan 0.000 0.485 706 D N 0.349 120.762 120.400 0.021 0.000 2.348 706 D HA -0.031 4.610 4.640 0.001 0.000 0.216 706 D C 0.464 176.796 176.300 0.053 0.000 0.970 706 D CA 0.142 54.160 54.000 0.029 0.000 0.889 706 D CB 0.278 41.085 40.800 0.011 0.000 0.912 706 D HN 0.030 nan 8.370 nan 0.000 0.524 707 V N 1.970 121.930 119.914 0.077 0.000 2.439 707 V HA 0.168 4.288 4.120 0.001 0.000 0.271 707 V C 0.824 177.068 176.094 0.249 0.000 1.040 707 V CA -0.121 62.261 62.300 0.136 0.000 1.002 707 V CB 0.494 32.413 31.823 0.160 0.000 1.000 707 V HN 0.145 nan 8.190 nan 0.000 0.477 708 T N 2.365 117.023 114.554 0.174 0.000 2.940 708 T HA 0.501 4.851 4.350 0.001 0.000 0.288 708 T C 0.774 175.408 174.700 -0.110 0.000 1.033 708 T CA -0.753 61.420 62.100 0.122 0.000 1.033 708 T CB 1.813 70.701 68.868 0.033 0.000 1.079 708 T HN 0.217 nan 8.240 nan 0.000 0.496 709 L N 2.082 123.067 121.223 -0.398 0.000 1.997 709 L HA 0.086 4.427 4.340 0.001 0.000 0.216 709 L C -0.892 175.774 176.870 -0.339 0.000 1.074 709 L CA 2.021 56.430 54.840 -0.717 0.000 0.763 709 L CB -1.725 39.985 42.059 -0.582 0.000 0.890 709 L HN 0.574 nan 8.230 nan 0.000 0.434 710 P HA -0.166 nan 4.420 nan 0.000 0.215 710 P C 1.679 178.933 177.300 -0.076 0.000 1.157 710 P CA 2.602 65.635 63.100 -0.112 0.000 0.868 710 P CB -0.233 31.425 31.700 -0.069 0.000 0.788 711 R N 0.248 120.718 120.500 -0.049 0.000 2.105 711 R HA -0.106 4.234 4.340 0.001 0.000 0.239 711 R C 2.257 178.560 176.300 0.006 0.000 1.135 711 R CA 1.697 57.791 56.100 -0.010 0.000 0.967 711 R CB -2.147 28.156 30.300 0.004 0.000 0.861 711 R HN 0.205 nan 8.270 nan 0.000 0.442 712 L N 0.216 121.419 121.223 -0.032 0.000 2.017 712 L HA -0.213 4.128 4.340 0.001 0.000 0.208 712 L C 2.498 179.385 176.870 0.028 0.000 1.073 712 L CA 2.260 57.114 54.840 0.023 0.000 0.745 712 L CB -0.324 41.727 42.059 -0.013 0.000 0.894 712 L HN 0.444 nan 8.230 nan 0.000 0.432 713 K N -0.197 120.159 120.400 -0.073 0.000 2.057 713 K HA -0.156 4.164 4.320 0.001 0.000 0.207 713 K C 2.078 178.642 176.600 -0.060 0.000 1.049 713 K CA 1.412 57.649 56.287 -0.084 0.000 0.931 713 K CB -0.312 32.119 32.500 -0.116 0.000 0.714 713 K HN 0.337 nan 8.250 nan 0.000 0.440 714 A N 1.268 124.068 122.820 -0.033 0.000 1.933 714 A HA -0.174 4.146 4.320 0.001 0.000 0.218 714 A C 2.018 179.588 177.584 -0.023 0.000 1.175 714 A CA 1.177 53.199 52.037 -0.026 0.000 0.628 714 A CB -0.688 18.311 19.000 -0.002 0.000 0.814 714 A HN 0.387 nan 8.150 nan 0.000 0.444 715 F N 0.831 120.700 119.950 -0.134 0.000 2.134 715 F HA -0.154 4.373 4.527 0.001 0.000 0.299 715 F C 1.854 177.538 175.800 -0.194 0.000 1.097 715 F CA 1.653 59.559 58.000 -0.157 0.000 1.264 715 F CB -0.275 38.623 39.000 -0.171 0.000 1.001 715 F HN 0.196 nan 8.300 nan 0.000 0.479 716 I N 0.994 121.324 120.570 -0.401 0.000 2.142 716 I HA -0.214 3.956 4.170 0.001 0.000 0.240 716 I C -0.518 175.307 176.117 -0.486 0.000 1.078 716 I CA 1.264 62.185 61.300 -0.631 0.000 1.343 716 I CB -2.016 35.684 38.000 -0.501 0.000 1.046 716 I HN 0.103 nan 8.210 nan 0.000 0.405 717 P HA -0.191 nan 4.420 nan 0.000 0.216 717 P C 1.660 178.796 177.300 -0.274 0.000 1.150 717 P CA 2.072 65.042 63.100 -0.217 0.000 0.837 717 P CB -0.193 31.428 31.700 -0.130 0.000 0.786 718 Q N 0.589 120.173 119.800 -0.360 0.000 2.096 718 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 718 Q C 2.168 177.853 176.000 -0.525 0.000 0.982 718 Q CA 1.669 57.193 55.803 -0.464 0.000 0.850 718 Q CB -1.762 26.665 28.738 -0.518 0.000 0.901 718 Q HN 0.207 nan 8.270 nan 0.000 0.422 719 L N -0.325 120.516 121.223 -0.636 0.000 2.141 719 L HA -0.020 4.320 4.340 0.001 0.000 0.209 719 L C 2.196 178.957 176.870 -0.182 0.000 1.094 719 L CA 1.533 56.117 54.840 -0.426 0.000 0.763 719 L CB -0.275 41.372 42.059 -0.687 0.000 0.908 719 L HN 0.535 nan 8.230 nan 0.000 0.437 720 L N -0.678 120.421 121.223 -0.207 0.000 2.529 720 L HA -0.013 4.327 4.340 0.001 0.000 0.223 720 L C 2.564 179.414 176.870 -0.033 0.000 1.113 720 L CA 0.667 55.454 54.840 -0.089 0.000 0.861 720 L CB -0.272 41.725 42.059 -0.103 0.000 1.012 720 L HN 0.275 nan 8.230 nan 0.000 0.461 721 S N -0.060 115.605 115.700 -0.059 0.000 2.442 721 S HA -0.115 4.355 4.470 0.001 0.000 0.236 721 S C 1.002 175.628 174.600 0.043 0.000 1.007 721 S CA 0.501 58.695 58.200 -0.009 0.000 0.965 721 S CB -0.044 63.128 63.200 -0.046 0.000 0.773 721 S HN 0.311 nan 8.310 nan 0.000 0.504 722 R N -0.133 120.410 120.500 0.071 0.000 2.512 722 R HA 0.720 5.061 4.340 0.001 0.000 0.291 722 R C -1.909 174.516 176.300 0.209 0.000 1.097 722 R CA -0.316 55.867 56.100 0.137 0.000 0.940 722 R CB 1.151 31.538 30.300 0.145 0.000 1.198 722 R HN 0.339 nan 8.270 nan 0.000 0.429 723 L N 2.176 123.542 121.223 0.239 0.000 2.434 723 L HA 0.547 4.887 4.340 0.001 0.000 0.260 723 L C -0.916 176.185 176.870 0.385 0.000 0.983 723 L CA -1.227 53.814 54.840 0.335 0.000 0.820 723 L CB 2.365 44.631 42.059 0.345 0.000 1.361 723 L HN 0.607 nan 8.230 nan 0.000 0.410 724 H N 1.790 121.084 119.070 0.373 0.000 2.492 724 H HA 0.693 5.249 4.556 0.001 0.000 0.345 724 H C -1.266 174.371 175.328 0.515 0.000 1.136 724 H CA -0.343 55.916 56.048 0.351 0.000 1.202 724 H CB 1.447 31.325 29.762 0.193 0.000 1.524 724 H HN 0.406 nan 8.280 nan 0.000 0.506 725 I N 3.873 124.382 120.570 -0.101 0.000 2.406 725 I HA 0.246 4.416 4.170 0.001 0.000 0.290 725 I C -0.342 175.681 176.117 -0.157 0.000 0.999 725 I CA -0.527 60.757 61.300 -0.026 0.000 1.124 725 I CB 1.709 39.742 38.000 0.055 0.000 1.289 725 I HN 0.563 nan 8.210 nan 0.000 0.441 726 E N 5.052 125.332 120.200 0.134 0.000 2.199 726 E HA 0.800 5.151 4.350 0.001 0.000 0.269 726 E C -1.400 175.396 176.600 0.327 0.000 0.899 726 E CA -0.693 55.874 56.400 0.278 0.000 0.772 726 E CB 2.119 32.130 29.700 0.518 0.000 1.155 726 E HN 0.723 nan 8.360 nan 0.000 0.408 727 A N 4.457 127.482 122.820 0.341 0.000 2.515 727 A HA 0.582 4.902 4.320 0.001 0.000 0.298 727 A C -1.752 176.030 177.584 0.330 0.000 1.059 727 A CA -0.695 51.425 52.037 0.139 0.000 0.698 727 A CB 1.361 20.235 19.000 -0.210 0.000 1.289 727 A HN 0.602 nan 8.150 nan 0.000 0.404 728 L N 2.992 124.315 121.223 0.167 0.000 2.343 728 L HA 0.614 4.955 4.340 0.001 0.000 0.278 728 L C -1.684 175.184 176.870 -0.003 0.000 0.996 728 L CA -0.628 54.344 54.840 0.220 0.000 0.831 728 L CB 1.138 43.382 42.059 0.309 0.000 1.232 728 L HN 0.720 nan 8.230 nan 0.000 0.413 729 L N 4.744 126.029 121.223 0.103 0.000 2.325 729 L HA 0.491 4.831 4.340 0.001 0.000 0.281 729 L C -1.178 175.815 176.870 0.204 0.000 1.004 729 L CA -0.745 54.159 54.840 0.107 0.000 0.823 729 L CB 1.627 43.779 42.059 0.156 0.000 1.236 729 L HN 0.547 nan 8.230 nan 0.000 0.415 730 H N 2.333 121.411 119.070 0.013 0.000 2.966 730 H HA 0.793 5.349 4.556 0.001 0.000 0.347 730 H C -0.422 174.896 175.328 -0.016 0.000 1.048 730 H CA 0.060 56.089 56.048 -0.031 0.000 1.295 730 H CB 1.970 31.743 29.762 0.018 0.000 1.744 730 H HN 0.760 nan 8.280 nan 0.000 0.513 731 G N 3.240 111.942 108.800 -0.163 0.000 2.334 731 G HA2 -0.051 3.909 3.960 0.001 0.000 0.249 731 G HA3 -0.051 3.909 3.960 0.001 0.000 0.249 731 G C -1.217 173.656 174.900 -0.045 0.000 1.327 731 G CA -0.600 44.383 45.100 -0.195 0.000 0.979 731 G HN 0.732 nan 8.290 nan 0.000 0.471 732 N N 0.955 119.648 118.700 -0.011 0.000 2.807 732 N HA 0.544 5.284 4.740 0.001 0.000 0.259 732 N C -0.240 175.321 175.510 0.085 0.000 1.149 732 N CA -0.110 52.966 53.050 0.042 0.000 1.042 732 N CB -0.913 37.595 38.487 0.034 0.000 1.367 732 N HN 0.743 nan 8.380 nan 0.000 0.516 733 I N -1.582 119.078 120.570 0.149 0.000 2.947 733 I HA 0.401 4.571 4.170 0.001 0.000 0.301 733 I C -0.246 176.056 176.117 0.308 0.000 1.453 733 I CA -1.177 60.242 61.300 0.199 0.000 0.984 733 I CB 1.870 40.020 38.000 0.251 0.000 1.333 733 I HN 0.132 nan 8.210 nan 0.000 0.475 734 T N -1.583 113.076 114.554 0.176 0.000 2.945 734 T HA 0.413 4.764 4.350 0.001 0.000 0.286 734 T C 0.663 175.201 174.700 -0.270 0.000 1.025 734 T CA -0.706 61.455 62.100 0.101 0.000 1.039 734 T CB 2.321 71.206 68.868 0.029 0.000 1.068 734 T HN 0.905 nan 8.240 nan 0.000 0.497 735 K N 0.147 120.241 120.400 -0.510 0.000 2.034 735 K HA -0.247 4.073 4.320 0.001 0.000 0.214 735 K C 2.273 178.557 176.600 -0.527 0.000 1.051 735 K CA 1.680 57.386 56.287 -0.968 0.000 0.931 735 K CB -0.195 32.029 32.500 -0.459 0.000 0.715 735 K HN 0.683 nan 8.250 nan 0.000 0.446 736 Q N -0.142 119.497 119.800 -0.269 0.000 2.050 736 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 736 Q C 2.034 177.956 176.000 -0.129 0.000 0.980 736 Q CA 1.760 57.467 55.803 -0.160 0.000 0.840 736 Q CB -0.205 28.478 28.738 -0.093 0.000 0.898 736 Q HN 0.490 nan 8.270 nan 0.000 0.424 737 A N 0.603 123.361 122.820 -0.104 0.000 1.972 737 A HA -0.122 4.199 4.320 0.001 0.000 0.219 737 A C 2.245 179.801 177.584 -0.046 0.000 1.169 737 A CA 1.760 53.769 52.037 -0.047 0.000 0.635 737 A CB -0.659 18.339 19.000 -0.003 0.000 0.810 737 A HN 0.487 nan 8.150 nan 0.000 0.446 738 A N -0.097 122.647 122.820 -0.126 0.000 1.877 738 A HA -0.045 4.276 4.320 0.001 0.000 0.216 738 A C 2.130 179.686 177.584 -0.048 0.000 1.186 738 A CA 1.464 53.458 52.037 -0.071 0.000 0.620 738 A CB -0.674 18.237 19.000 -0.148 0.000 0.822 738 A HN 0.467 nan 8.150 nan 0.000 0.443 739 L N -0.458 120.697 121.223 -0.113 0.000 2.043 739 L HA -0.205 4.136 4.340 0.001 0.000 0.212 739 L C 2.793 179.653 176.870 -0.016 0.000 1.075 739 L CA 1.263 56.066 54.840 -0.063 0.000 0.752 739 L CB -0.773 41.233 42.059 -0.089 0.000 0.891 739 L HN 0.506 nan 8.230 nan 0.000 0.432 740 G N 0.024 108.813 108.800 -0.018 0.000 2.418 740 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 740 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 740 G C 1.517 176.440 174.900 0.039 0.000 1.158 740 G CA 0.480 45.584 45.100 0.007 0.000 0.771 740 G HN 0.173 nan 8.290 nan 0.000 0.545 741 I N 0.407 121.014 120.570 0.062 0.000 2.179 741 I HA -0.143 4.028 4.170 0.001 0.000 0.242 741 I C 2.647 178.855 176.117 0.152 0.000 1.088 741 I CA 1.361 62.732 61.300 0.118 0.000 1.357 741 I CB -0.939 37.164 38.000 0.171 0.000 1.051 741 I HN 0.207 nan 8.210 nan 0.000 0.409 742 M N 0.891 120.580 119.600 0.149 0.000 2.067 742 M HA -0.249 4.232 4.480 0.001 0.000 0.260 742 M C 2.306 178.677 176.300 0.119 0.000 1.069 742 M CA 1.881 57.287 55.300 0.177 0.000 1.117 742 M CB -0.608 32.067 32.600 0.125 0.000 1.334 742 M HN 0.086 nan 8.290 nan 0.000 0.407 743 Q N -0.348 119.495 119.800 0.072 0.000 2.096 743 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 743 Q C 2.164 178.192 176.000 0.048 0.000 0.982 743 Q CA 2.548 58.381 55.803 0.049 0.000 0.850 743 Q CB -0.503 28.251 28.738 0.027 0.000 0.901 743 Q HN 0.664 nan 8.270 nan 0.000 0.422 744 M N -0.894 118.736 119.600 0.050 0.000 2.175 744 M HA -0.140 4.340 4.480 0.001 0.000 0.264 744 M C 1.610 177.929 176.300 0.033 0.000 1.063 744 M CA 1.313 56.635 55.300 0.036 0.000 1.119 744 M CB -0.062 32.558 32.600 0.034 0.000 1.377 744 M HN 0.187 nan 8.290 nan 0.000 0.415 745 V N 1.370 121.312 119.914 0.047 0.000 2.261 745 V HA -0.285 3.835 4.120 0.001 0.000 0.246 745 V C 2.109 178.237 176.094 0.057 0.000 1.047 745 V CA 2.325 64.642 62.300 0.027 0.000 1.015 745 V CB -0.964 30.867 31.823 0.014 0.000 0.642 745 V HN 0.528 nan 8.190 nan 0.000 0.446 746 E N 0.060 120.310 120.200 0.085 0.000 2.038 746 E HA -0.263 4.087 4.350 0.001 0.000 0.195 746 E C 1.991 178.616 176.600 0.043 0.000 1.000 746 E CA 1.665 58.112 56.400 0.079 0.000 0.803 746 E CB -0.270 29.477 29.700 0.079 0.000 0.750 746 E HN 0.582 nan 8.360 nan 0.000 0.448 747 D N -0.199 120.219 120.400 0.029 0.000 2.178 747 D HA -0.097 4.543 4.640 0.001 0.000 0.201 747 D C 1.900 178.198 176.300 -0.003 0.000 0.980 747 D CA 1.206 55.209 54.000 0.006 0.000 0.842 747 D CB -0.347 40.454 40.800 0.003 0.000 0.948 747 D HN 0.136 nan 8.370 nan 0.000 0.472 748 T N 0.622 115.190 114.554 0.022 0.000 2.857 748 T HA 0.005 4.355 4.350 0.001 0.000 0.266 748 T C 2.223 176.961 174.700 0.062 0.000 1.048 748 T CA 0.382 62.523 62.100 0.068 0.000 1.139 748 T CB -0.048 68.850 68.868 0.050 0.000 0.874 748 T HN 0.106 nan 8.240 nan 0.000 0.455 749 L N 0.233 121.465 121.223 0.014 0.000 2.023 749 L HA 0.035 4.376 4.340 0.001 0.000 0.205 749 L C 2.455 179.302 176.870 -0.038 0.000 1.073 749 L CA 1.094 55.930 54.840 -0.008 0.000 0.745 749 L CB -0.493 41.569 42.059 0.004 0.000 0.900 749 L HN 0.213 nan 8.230 nan 0.000 0.435 750 I N -0.491 120.060 120.570 -0.031 0.000 2.113 750 I HA -0.353 3.818 4.170 0.001 0.000 0.242 750 I C 2.705 178.710 176.117 -0.187 0.000 1.064 750 I CA 1.401 62.664 61.300 -0.062 0.000 1.320 750 I CB -0.409 37.579 38.000 -0.021 0.000 1.028 750 I HN 0.344 nan 8.210 nan 0.000 0.406 751 E N 0.150 120.231 120.200 -0.198 0.000 2.065 751 E HA -0.260 4.090 4.350 0.001 0.000 0.201 751 E C 2.041 178.326 176.600 -0.525 0.000 1.016 751 E CA 1.689 57.869 56.400 -0.366 0.000 0.818 751 E CB -0.126 29.325 29.700 -0.415 0.000 0.749 751 E HN 0.624 nan 8.360 nan 0.000 0.453 752 H N -2.488 116.426 119.070 -0.261 0.000 2.654 752 H HA 0.274 4.831 4.556 0.001 0.000 0.264 752 H C 1.189 176.363 175.328 -0.256 0.000 0.954 752 H CA 0.785 56.693 56.048 -0.233 0.000 1.199 752 H CB 0.961 30.648 29.762 -0.126 0.000 1.446 752 H HN 0.134 nan 8.280 nan 0.000 0.516 753 A N -0.327 122.400 122.820 -0.155 0.000 2.287 753 A HA 0.096 4.416 4.320 0.001 0.000 0.214 753 A C 0.087 177.656 177.584 -0.025 0.000 1.228 753 A CA -0.096 51.900 52.037 -0.068 0.000 0.939 753 A CB 0.222 19.198 19.000 -0.039 0.000 0.992 753 A HN 0.456 nan 8.150 nan 0.000 0.502 754 H N 0.265 119.333 119.070 -0.003 0.000 2.936 754 H HA -0.124 4.432 4.556 0.001 0.000 0.276 754 H C -0.372 174.958 175.328 0.003 0.000 1.216 754 H CA 0.964 57.007 56.048 -0.008 0.000 1.132 754 H CB -2.650 27.102 29.762 -0.018 0.000 1.303 754 H HN 0.417 nan 8.280 nan 0.000 0.370 755 T N 3.048 117.634 114.554 0.052 0.000 2.871 755 T HA 0.194 4.544 4.350 0.001 0.000 0.296 755 T C 1.052 175.801 174.700 0.082 0.000 0.998 755 T CA 0.311 62.451 62.100 0.066 0.000 1.162 755 T CB 1.155 70.059 68.868 0.061 0.000 0.947 755 T HN 0.219 nan 8.240 nan 0.000 0.536 756 K N 3.527 123.981 120.400 0.090 0.000 2.295 756 K HA 0.538 4.858 4.320 0.001 0.000 0.239 756 K C -2.978 173.690 176.600 0.113 0.000 0.991 756 K CA -2.485 53.856 56.287 0.091 0.000 0.845 756 K CB 0.996 33.541 32.500 0.075 0.000 1.197 756 K HN 0.201 nan 8.250 nan 0.000 0.441 757 P HA 0.092 nan 4.420 nan 0.000 0.272 757 P C -0.463 176.914 177.300 0.129 0.000 1.230 757 P CA -0.594 62.590 63.100 0.139 0.000 0.788 757 P CB 0.360 32.133 31.700 0.121 0.000 0.949 758 L N 1.630 122.942 121.223 0.147 0.000 2.456 758 L HA 0.231 4.572 4.340 0.001 0.000 0.257 758 L C -0.034 176.869 176.870 0.054 0.000 1.162 758 L CA -0.406 54.505 54.840 0.119 0.000 0.808 758 L CB -0.243 41.903 42.059 0.146 0.000 1.136 758 L HN 0.174 nan 8.230 nan 0.000 0.466 759 L N 3.831 125.078 121.223 0.040 0.000 2.395 759 L HA 0.270 4.610 4.340 0.001 0.000 0.269 759 L C -1.305 175.537 176.870 -0.047 0.000 1.133 759 L CA -1.650 53.192 54.840 0.002 0.000 0.812 759 L CB -0.041 42.026 42.059 0.014 0.000 1.125 759 L HN 0.459 nan 8.230 nan 0.000 0.452 760 P HA -0.168 nan 4.420 nan 0.000 0.217 760 P C 1.366 178.602 177.300 -0.106 0.000 1.148 760 P CA 1.436 64.461 63.100 -0.125 0.000 0.834 760 P CB 0.219 31.859 31.700 -0.100 0.000 0.783 761 S N -1.688 113.975 115.700 -0.062 0.000 2.561 761 S HA -0.060 4.411 4.470 0.001 0.000 0.225 761 S C 1.681 176.260 174.600 -0.036 0.000 0.977 761 S CA 0.433 58.606 58.200 -0.046 0.000 0.926 761 S CB -0.830 62.357 63.200 -0.023 0.000 0.769 761 S HN 0.254 nan 8.310 nan 0.000 0.533 762 Q N 0.422 120.204 119.800 -0.030 0.000 2.392 762 Q HA 0.314 4.654 4.340 0.001 0.000 0.203 762 Q C 0.093 176.073 176.000 -0.034 0.000 0.917 762 Q CA 0.118 55.921 55.803 -0.000 0.000 0.939 762 Q CB -0.102 28.666 28.738 0.050 0.000 1.063 762 Q HN 0.572 nan 8.270 nan 0.000 0.516 763 L N 1.805 122.953 121.223 -0.125 0.000 2.437 763 L HA 0.138 4.478 4.340 0.001 0.000 0.243 763 L C -0.088 176.644 176.870 -0.230 0.000 1.346 763 L CA -0.384 54.309 54.840 -0.245 0.000 1.233 763 L CB -0.060 41.744 42.059 -0.426 0.000 1.436 763 L HN -0.043 nan 8.230 nan 0.000 0.416 764 V N 3.076 122.901 119.914 -0.148 0.000 2.372 764 V HA 0.272 4.392 4.120 0.001 0.000 0.261 764 V C 0.442 176.361 176.094 -0.292 0.000 1.055 764 V CA -0.504 61.710 62.300 -0.142 0.000 0.930 764 V CB 0.523 32.328 31.823 -0.030 0.000 1.031 764 V HN 0.479 nan 8.190 nan 0.000 0.479 765 R N 5.547 125.850 120.500 -0.329 0.000 2.441 765 R HA 0.329 4.670 4.340 0.001 0.000 0.284 765 R C -0.626 175.569 176.300 -0.175 0.000 1.070 765 R CA -0.074 55.788 56.100 -0.397 0.000 1.047 765 R CB 0.594 30.712 30.300 -0.304 0.000 1.016 765 R HN 0.722 nan 8.270 nan 0.000 0.477 766 Y N 1.536 121.998 120.300 0.271 0.000 2.301 766 Y HA 0.265 4.816 4.550 0.001 0.000 0.328 766 Y C 1.153 177.109 175.900 0.093 0.000 1.242 766 Y CA -0.274 57.926 58.100 0.167 0.000 1.323 766 Y CB 0.871 39.415 38.460 0.140 0.000 1.266 766 Y HN 0.214 nan 8.280 nan 0.000 0.527 767 R N 0.901 121.567 120.500 0.275 0.000 2.643 767 R HA 0.309 4.650 4.340 0.001 0.000 0.272 767 R C -0.930 175.456 176.300 0.143 0.000 0.995 767 R CA -1.041 55.161 56.100 0.171 0.000 1.032 767 R CB 1.245 31.630 30.300 0.141 0.000 1.126 767 R HN 0.627 nan 8.270 nan 0.000 0.505 768 E N 1.012 121.308 120.200 0.160 0.000 2.231 768 E HA 0.188 4.538 4.350 0.001 0.000 0.277 768 E C -0.720 176.028 176.600 0.248 0.000 0.999 768 E CA -0.721 55.781 56.400 0.170 0.000 0.827 768 E CB 1.249 31.027 29.700 0.130 0.000 1.101 768 E HN 0.222 nan 8.360 nan 0.000 0.393 769 V N 4.007 124.007 119.914 0.143 0.000 2.720 769 V HA -0.128 3.992 4.120 0.001 0.000 0.307 769 V C 0.342 176.510 176.094 0.123 0.000 1.071 769 V CA 0.764 63.090 62.300 0.043 0.000 1.199 769 V CB 0.687 32.488 31.823 -0.037 0.000 0.900 769 V HN 0.750 nan 8.190 nan 0.000 0.494 770 Q N 4.258 123.979 119.800 -0.131 0.000 2.398 770 Q HA 0.357 4.697 4.340 0.001 0.000 0.251 770 Q C -0.993 174.842 176.000 -0.275 0.000 0.999 770 Q CA -0.943 54.630 55.803 -0.383 0.000 0.874 770 Q CB 0.993 29.213 28.738 -0.863 0.000 1.215 770 Q HN 0.585 nan 8.270 nan 0.000 0.470 771 L N 6.721 127.857 121.223 -0.145 0.000 2.453 771 L HA 0.293 4.634 4.340 0.001 0.000 0.272 771 L C -1.998 174.841 176.870 -0.053 0.000 1.182 771 L CA -1.635 53.176 54.840 -0.048 0.000 0.858 771 L CB 0.180 42.301 42.059 0.103 0.000 1.120 771 L HN 0.622 nan 8.230 nan 0.000 0.474 772 P HA 0.075 nan 4.420 nan 0.000 0.279 772 P C -0.896 176.619 177.300 0.358 0.000 1.239 772 P CA -0.668 62.541 63.100 0.181 0.000 0.789 772 P CB 0.479 32.295 31.700 0.194 0.000 0.933 773 D N 3.394 123.990 120.400 0.326 0.000 2.877 773 D HA -0.144 4.496 4.640 0.001 0.000 0.220 773 D C 1.053 177.413 176.300 0.100 0.000 1.089 773 D CA 0.940 55.054 54.000 0.190 0.000 0.811 773 D CB -0.118 40.743 40.800 0.101 0.000 1.162 773 D HN 0.411 nan 8.370 nan 0.000 0.513 774 R N -0.299 120.215 120.500 0.023 0.000 4.000 774 R HA -0.165 4.176 4.340 0.001 0.000 0.362 774 R C 0.888 177.232 176.300 0.073 0.000 1.183 774 R CA 0.971 57.081 56.100 0.017 0.000 1.011 774 R CB -1.908 28.392 30.300 -0.001 0.000 1.501 774 R HN 0.517 nan 8.270 nan 0.000 0.553 775 G N -0.115 108.781 108.800 0.159 0.000 2.467 775 G HA2 0.278 4.238 3.960 0.001 0.000 0.257 775 G HA3 0.278 4.238 3.960 0.001 0.000 0.257 775 G C -1.166 173.840 174.900 0.177 0.000 1.227 775 G CA -0.066 45.111 45.100 0.128 0.000 0.835 775 G HN 0.220 nan 8.290 nan 0.000 0.556 776 W N 2.852 123.965 121.300 -0.311 0.000 2.756 776 W HA 0.677 5.337 4.660 0.001 0.000 0.333 776 W C -2.154 174.146 176.519 -0.366 0.000 1.025 776 W CA -2.374 54.865 57.345 -0.176 0.000 1.246 776 W CB 0.971 30.381 29.460 -0.083 0.000 1.358 776 W HN 0.313 nan 8.180 nan 0.000 0.444 777 F N 5.199 125.194 119.950 0.075 0.000 2.495 777 F HA 0.682 5.209 4.527 0.001 0.000 0.327 777 F C -0.129 175.463 175.800 -0.345 0.000 1.103 777 F CA -1.238 56.670 58.000 -0.152 0.000 0.949 777 F CB 1.870 40.888 39.000 0.030 0.000 1.142 777 F HN -0.149 nan 8.300 nan 0.000 0.457 778 V N 3.305 123.037 119.914 -0.303 0.000 2.540 778 V HA 0.337 4.457 4.120 0.001 0.000 0.302 778 V C -1.404 174.553 176.094 -0.229 0.000 1.035 778 V CA -0.988 61.073 62.300 -0.398 0.000 0.873 778 V CB 1.862 33.269 31.823 -0.694 0.000 0.992 778 V HN 0.635 nan 8.190 nan 0.000 0.428 779 Y N 4.230 124.332 120.300 -0.329 0.000 2.377 779 Y HA 0.661 5.211 4.550 0.001 0.000 0.339 779 Y C -0.197 175.562 175.900 -0.234 0.000 1.011 779 Y CA -0.403 57.528 58.100 -0.281 0.000 1.093 779 Y CB 1.740 40.026 38.460 -0.291 0.000 1.201 779 Y HN 0.656 nan 8.280 nan 0.000 0.455 780 Q N 5.491 124.773 119.800 -0.864 0.000 2.304 780 Q HA 0.458 4.798 4.340 0.001 0.000 0.270 780 Q C -1.731 173.889 176.000 -0.633 0.000 1.035 780 Q CA -0.750 54.741 55.803 -0.521 0.000 0.781 780 Q CB 1.684 30.242 28.738 -0.300 0.000 1.261 780 Q HN 0.736 nan 8.270 nan 0.000 0.444 781 Q N 1.903 121.501 119.800 -0.336 0.000 2.683 781 Q HA 0.523 4.864 4.340 0.001 0.000 0.302 781 Q C -1.439 174.563 176.000 0.004 0.000 1.042 781 Q CA -0.734 54.943 55.803 -0.210 0.000 0.773 781 Q CB 2.455 31.084 28.738 -0.181 0.000 1.508 781 Q HN 0.716 nan 8.270 nan 0.000 0.459 782 R N 0.908 121.448 120.500 0.066 0.000 2.562 782 R HA 0.391 4.732 4.340 0.001 0.000 0.298 782 R C -0.852 175.562 176.300 0.190 0.000 0.961 782 R CA -0.369 55.794 56.100 0.105 0.000 0.881 782 R CB 1.071 31.406 30.300 0.059 0.000 1.159 782 R HN 0.609 nan 8.270 nan 0.000 0.450 783 N N 1.488 120.293 118.700 0.174 0.000 2.444 783 N HA 0.014 4.755 4.740 0.001 0.000 0.271 783 N C -0.096 175.483 175.510 0.115 0.000 1.069 783 N CA -0.146 53.002 53.050 0.163 0.000 0.965 783 N CB 1.020 39.525 38.487 0.030 0.000 1.092 783 N HN 0.581 nan 8.380 nan 0.000 0.476 784 E N 2.180 122.451 120.200 0.118 0.000 2.479 784 E HA 0.027 4.378 4.350 0.001 0.000 0.193 784 E C 0.453 177.075 176.600 0.036 0.000 1.049 784 E CA 0.044 56.487 56.400 0.071 0.000 0.870 784 E CB 0.653 30.395 29.700 0.070 0.000 0.944 784 E HN 0.395 nan 8.360 nan 0.000 0.492 785 V N -0.072 119.862 119.914 0.033 0.000 2.996 785 V HA 0.017 4.138 4.120 0.001 0.000 0.235 785 V C 0.548 176.541 176.094 -0.168 0.000 1.205 785 V CA 0.212 62.471 62.300 -0.068 0.000 1.225 785 V CB 0.348 32.121 31.823 -0.084 0.000 0.995 785 V HN 0.257 nan 8.190 nan 0.000 0.484 786 H N 1.318 120.350 119.070 -0.064 0.000 2.527 786 H HA 0.243 4.799 4.556 0.001 0.000 0.321 786 H C -0.226 175.079 175.328 -0.038 0.000 1.087 786 H CA -0.148 55.864 56.048 -0.060 0.000 1.337 786 H CB 0.940 30.649 29.762 -0.088 0.000 1.440 786 H HN 0.089 nan 8.280 nan 0.000 0.490 787 N N 2.964 121.691 118.700 0.045 0.000 2.623 787 N HA -0.031 4.710 4.740 0.001 0.000 0.263 787 N C -0.866 174.670 175.510 0.044 0.000 1.218 787 N CA -0.022 53.047 53.050 0.032 0.000 0.949 787 N CB -0.283 38.205 38.487 0.002 0.000 1.270 787 N HN 0.471 nan 8.380 nan 0.000 0.507 788 N N -1.292 117.450 118.700 0.069 0.000 2.469 788 N HA 0.418 5.159 4.740 0.001 0.000 0.286 788 N C -1.032 174.510 175.510 0.053 0.000 1.275 788 N CA -0.551 52.532 53.050 0.055 0.000 0.790 788 N CB 1.541 40.064 38.487 0.059 0.000 1.446 788 N HN 0.168 nan 8.380 nan 0.000 0.501 789 S N -1.289 114.443 115.700 0.053 0.000 2.664 789 S HA 0.915 5.386 4.470 0.001 0.000 0.304 789 S C 0.065 174.710 174.600 0.074 0.000 1.099 789 S CA -0.800 57.434 58.200 0.057 0.000 1.003 789 S CB 1.646 64.873 63.200 0.046 0.000 1.092 789 S HN 0.566 nan 8.310 nan 0.000 0.525 790 G N -0.333 108.525 108.800 0.097 0.000 2.574 790 G HA2 0.733 4.693 3.960 0.001 0.000 0.299 790 G HA3 0.733 4.693 3.960 0.001 0.000 0.299 790 G C -1.700 173.295 174.900 0.159 0.000 1.298 790 G CA -0.875 44.308 45.100 0.138 0.000 0.952 790 G HN 0.891 nan 8.290 nan 0.000 0.477 791 I N -0.313 120.368 120.570 0.184 0.000 2.752 791 I HA 0.569 4.739 4.170 0.001 0.000 0.295 791 I C -1.482 174.791 176.117 0.261 0.000 1.219 791 I CA -0.840 60.591 61.300 0.219 0.000 1.030 791 I CB 2.632 40.716 38.000 0.140 0.000 1.259 791 I HN 0.629 nan 8.210 nan 0.000 0.423 792 E N 7.410 127.786 120.200 0.294 0.000 2.224 792 E HA 0.550 4.900 4.350 0.001 0.000 0.265 792 E C -1.808 174.980 176.600 0.312 0.000 0.878 792 E CA -0.583 55.996 56.400 0.298 0.000 0.759 792 E CB 1.773 31.628 29.700 0.257 0.000 1.164 792 E HN 0.520 nan 8.360 nan 0.000 0.414 793 I N 4.376 125.149 120.570 0.338 0.000 2.404 793 I HA 0.310 4.481 4.170 0.001 0.000 0.293 793 I C -1.191 175.104 176.117 0.297 0.000 0.992 793 I CA -1.105 60.349 61.300 0.255 0.000 1.149 793 I CB 1.232 39.336 38.000 0.173 0.000 1.315 793 I HN 0.555 nan 8.210 nan 0.000 0.446 794 Y N 7.260 127.558 120.300 -0.003 0.000 2.338 794 Y HA 0.450 5.000 4.550 0.001 0.000 0.333 794 Y C -1.619 174.254 175.900 -0.045 0.000 0.968 794 Y CA -1.532 56.615 58.100 0.079 0.000 1.123 794 Y CB 0.966 39.510 38.460 0.140 0.000 1.165 794 Y HN 0.344 nan 8.280 nan 0.000 0.452 795 Y N 5.165 125.499 120.300 0.057 0.000 2.595 795 Y HA 0.296 4.846 4.550 0.001 0.000 0.336 795 Y C 0.432 176.139 175.900 -0.321 0.000 0.996 795 Y CA -0.590 57.449 58.100 -0.102 0.000 1.260 795 Y CB 0.787 39.262 38.460 0.025 0.000 1.108 795 Y HN 0.558 nan 8.280 nan 0.000 0.509 796 Q N 2.036 121.564 119.800 -0.453 0.000 2.297 796 Q HA 0.083 4.423 4.340 0.001 0.000 0.267 796 Q C 0.726 176.800 176.000 0.122 0.000 1.006 796 Q CA 0.444 56.020 55.803 -0.378 0.000 0.896 796 Q CB 1.051 29.623 28.738 -0.277 0.000 1.186 796 Q HN 0.891 nan 8.270 nan 0.000 0.392 797 T N 0.998 115.646 114.554 0.157 0.000 3.252 797 T HA 0.236 4.587 4.350 0.001 0.000 0.233 797 T C 0.180 175.036 174.700 0.260 0.000 0.975 797 T CA 0.351 62.597 62.100 0.243 0.000 1.318 797 T CB 0.308 69.355 68.868 0.298 0.000 1.014 797 T HN 0.624 nan 8.240 nan 0.000 0.418 798 D N -0.926 119.562 120.400 0.148 0.000 2.792 798 D HA 0.261 4.902 4.640 0.001 0.000 0.335 798 D C -1.329 174.908 176.300 -0.105 0.000 1.353 798 D CA -0.726 53.331 54.000 0.096 0.000 0.839 798 D CB 1.813 42.728 40.800 0.193 0.000 1.396 798 D HN 0.411 nan 8.370 nan 0.000 0.479 799 M N 1.160 120.692 119.600 -0.113 0.000 2.252 799 M HA 0.072 4.553 4.480 0.001 0.000 0.329 799 M C 0.010 176.264 176.300 -0.076 0.000 1.101 799 M CA 0.526 55.736 55.300 -0.151 0.000 1.117 799 M CB 0.407 32.996 32.600 -0.019 0.000 1.563 799 M HN 0.147 nan 8.290 nan 0.000 0.445 800 Q N 2.208 121.953 119.800 -0.093 0.000 2.392 800 Q HA 0.392 4.733 4.340 0.001 0.000 0.262 800 Q C -0.790 175.164 176.000 -0.077 0.000 1.003 800 Q CA 0.339 56.096 55.803 -0.076 0.000 0.888 800 Q CB 0.855 29.542 28.738 -0.086 0.000 1.260 800 Q HN 0.802 nan 8.270 nan 0.000 0.435 801 S N -0.438 115.203 115.700 -0.100 0.000 2.578 801 S HA 0.181 4.651 4.470 0.001 0.000 0.272 801 S C 0.456 174.929 174.600 -0.211 0.000 1.145 801 S CA -0.514 57.607 58.200 -0.131 0.000 0.835 801 S CB 1.051 64.183 63.200 -0.113 0.000 1.104 801 S HN 0.561 nan 8.310 nan 0.000 0.458 802 T N 2.557 116.957 114.554 -0.257 0.000 2.624 802 T HA -0.236 4.115 4.350 0.001 0.000 0.266 802 T C 2.105 176.445 174.700 -0.600 0.000 1.050 802 T CA 2.918 64.786 62.100 -0.387 0.000 1.163 802 T CB -1.034 67.561 68.868 -0.455 0.000 0.861 802 T HN 1.066 nan 8.240 nan 0.000 0.443 803 S N 1.143 116.410 115.700 -0.721 0.000 2.377 803 S HA -0.023 4.448 4.470 0.001 0.000 0.223 803 S C 1.931 176.034 174.600 -0.828 0.000 1.030 803 S CA 0.546 58.195 58.200 -0.920 0.000 0.970 803 S CB -0.253 62.508 63.200 -0.732 0.000 0.830 803 S HN 0.325 nan 8.310 nan 0.000 0.473 804 E N 2.257 122.216 120.200 -0.401 0.000 2.077 804 E HA -0.082 4.269 4.350 0.001 0.000 0.193 804 E C 1.886 178.389 176.600 -0.161 0.000 0.989 804 E CA 1.025 57.331 56.400 -0.157 0.000 0.800 804 E CB -0.795 28.908 29.700 0.004 0.000 0.746 804 E HN 0.714 nan 8.360 nan 0.000 0.452 805 N N -0.064 118.531 118.700 -0.175 0.000 2.104 805 N HA -0.153 4.587 4.740 0.001 0.000 0.190 805 N C 1.678 177.124 175.510 -0.106 0.000 1.024 805 N CA 1.265 54.248 53.050 -0.110 0.000 0.853 805 N CB -0.044 38.372 38.487 -0.118 0.000 1.008 805 N HN 0.083 nan 8.380 nan 0.000 0.424 806 M N -0.135 119.361 119.600 -0.174 0.000 2.334 806 M HA 0.048 4.528 4.480 0.001 0.000 0.266 806 M C 1.616 177.885 176.300 -0.052 0.000 1.082 806 M CA 0.981 56.235 55.300 -0.077 0.000 1.141 806 M CB -1.211 31.422 32.600 0.056 0.000 1.380 806 M HN 0.150 nan 8.290 nan 0.000 0.440 807 F N 0.512 120.348 119.950 -0.191 0.000 2.065 807 F HA -0.301 4.226 4.527 0.001 0.000 0.298 807 F C 2.358 177.879 175.800 -0.465 0.000 1.112 807 F CA 0.799 58.472 58.000 -0.544 0.000 1.212 807 F CB -0.629 37.610 39.000 -1.269 0.000 0.975 807 F HN 0.129 nan 8.300 nan 0.000 0.476 808 L N 0.445 121.580 121.223 -0.147 0.000 2.093 808 L HA -0.151 4.189 4.340 0.001 0.000 0.208 808 L C 1.981 178.949 176.870 0.163 0.000 1.085 808 L CA 1.797 56.702 54.840 0.109 0.000 0.755 808 L CB -0.627 41.544 42.059 0.186 0.000 0.904 808 L HN 0.076 nan 8.230 nan 0.000 0.435 809 E N -0.663 119.582 120.200 0.076 0.000 2.152 809 E HA -0.158 4.192 4.350 0.001 0.000 0.192 809 E C 2.236 178.868 176.600 0.054 0.000 0.983 809 E CA 0.896 57.331 56.400 0.058 0.000 0.818 809 E CB -0.101 29.610 29.700 0.018 0.000 0.758 809 E HN 0.510 nan 8.360 nan 0.000 0.467 810 L N 0.155 121.420 121.223 0.070 0.000 2.005 810 L HA -0.142 4.199 4.340 0.001 0.000 0.207 810 L C 2.302 179.218 176.870 0.076 0.000 1.072 810 L CA 1.108 55.976 54.840 0.046 0.000 0.744 810 L CB -0.247 41.857 42.059 0.076 0.000 0.895 810 L HN 0.179 nan 8.230 nan 0.000 0.433 811 F N 0.712 120.697 119.950 0.057 0.000 2.091 811 F HA -0.314 4.213 4.527 0.001 0.000 0.299 811 F C 2.424 178.241 175.800 0.029 0.000 1.103 811 F CA 1.795 59.851 58.000 0.094 0.000 1.228 811 F CB -0.278 38.876 39.000 0.258 0.000 0.984 811 F HN 0.128 nan 8.300 nan 0.000 0.477 812 A N -0.139 122.774 122.820 0.155 0.000 1.883 812 A HA -0.310 4.010 4.320 0.001 0.000 0.217 812 A C 2.057 179.554 177.584 -0.146 0.000 1.186 812 A CA 1.945 53.979 52.037 -0.004 0.000 0.624 812 A CB -1.151 17.869 19.000 0.034 0.000 0.822 812 A HN 0.565 nan 8.150 nan 0.000 0.444 813 Q N 0.223 119.950 119.800 -0.123 0.000 2.096 813 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 813 Q C 1.686 177.512 176.000 -0.291 0.000 0.982 813 Q CA 2.209 57.924 55.803 -0.147 0.000 0.850 813 Q CB -0.586 28.094 28.738 -0.097 0.000 0.901 813 Q HN 0.663 nan 8.270 nan 0.000 0.422 814 I N 0.343 120.644 120.570 -0.447 0.000 2.286 814 I HA -0.208 3.962 4.170 0.001 0.000 0.248 814 I C 2.060 177.882 176.117 -0.492 0.000 1.115 814 I CA 1.384 62.249 61.300 -0.725 0.000 1.392 814 I CB -0.226 37.415 38.000 -0.597 0.000 1.065 814 I HN 0.450 nan 8.210 nan 0.000 0.418 815 I N -3.855 116.471 120.570 -0.407 0.000 3.860 815 I HA 0.068 4.239 4.170 0.001 0.000 0.319 815 I C 2.264 178.354 176.117 -0.045 0.000 1.279 815 I CA 0.225 61.409 61.300 -0.194 0.000 1.220 815 I CB 0.028 37.897 38.000 -0.219 0.000 1.027 815 I HN -0.047 nan 8.210 nan 0.000 0.428 816 S N 2.794 118.410 115.700 -0.141 0.000 2.414 816 S HA -0.313 4.157 4.470 0.001 0.000 0.225 816 S C 2.002 176.576 174.600 -0.044 0.000 1.041 816 S CA 2.806 60.933 58.200 -0.122 0.000 1.114 816 S CB -0.305 62.812 63.200 -0.137 0.000 1.064 816 S HN 0.849 nan 8.310 nan 0.000 0.420 817 E N 1.277 121.470 120.200 -0.012 0.000 2.152 817 E HA 0.028 4.378 4.350 0.001 0.000 0.192 817 E C -0.711 175.963 176.600 0.123 0.000 0.983 817 E CA 1.134 57.565 56.400 0.051 0.000 0.818 817 E CB -1.803 27.913 29.700 0.027 0.000 0.758 817 E HN 0.418 nan 8.360 nan 0.000 0.467 818 P HA -0.173 nan 4.420 nan 0.000 0.216 818 P C 1.294 178.696 177.300 0.170 0.000 1.150 818 P CA 2.381 65.605 63.100 0.206 0.000 0.843 818 P CB -0.182 31.666 31.700 0.247 0.000 0.787 819 A N -1.236 121.603 122.820 0.033 0.000 1.902 819 A HA -0.206 4.114 4.320 0.001 0.000 0.217 819 A C 2.147 179.584 177.584 -0.245 0.000 1.181 819 A CA 1.496 53.259 52.037 -0.457 0.000 0.623 819 A CB -1.798 17.033 19.000 -0.282 0.000 0.818 819 A HN 0.181 nan 8.150 nan 0.000 0.443 820 F N 1.029 120.876 119.950 -0.173 0.000 2.146 820 F HA -0.138 4.390 4.527 0.001 0.000 0.298 820 F C 2.135 177.890 175.800 -0.075 0.000 1.096 820 F CA 1.842 59.770 58.000 -0.120 0.000 1.275 820 F CB -0.276 38.667 39.000 -0.095 0.000 1.008 820 F HN 0.346 nan 8.300 nan 0.000 0.480 821 N N -0.805 117.974 118.700 0.132 0.000 2.166 821 N HA -0.165 4.575 4.740 0.001 0.000 0.186 821 N C 1.512 177.004 175.510 -0.030 0.000 1.019 821 N CA 1.815 54.914 53.050 0.082 0.000 0.856 821 N CB -0.023 38.558 38.487 0.158 0.000 0.993 821 N HN 0.315 nan 8.380 nan 0.000 0.426 822 T N 1.231 115.761 114.554 -0.039 0.000 2.781 822 T HA 0.015 4.365 4.350 0.001 0.000 0.252 822 T C 1.804 176.438 174.700 -0.109 0.000 1.039 822 T CA 0.347 62.433 62.100 -0.023 0.000 1.147 822 T CB -0.035 68.874 68.868 0.068 0.000 0.865 822 T HN 0.042 nan 8.240 nan 0.000 0.423 823 L N 0.748 121.841 121.223 -0.217 0.000 2.156 823 L HA 0.215 4.555 4.340 0.001 0.000 0.208 823 L C 2.310 179.055 176.870 -0.208 0.000 1.095 823 L CA 1.465 56.187 54.840 -0.197 0.000 0.770 823 L CB -0.897 41.025 42.059 -0.230 0.000 0.914 823 L HN 0.162 nan 8.230 nan 0.000 0.439 824 R N -1.283 119.003 120.500 -0.357 0.000 2.038 824 R HA -0.021 4.319 4.340 0.001 0.000 0.214 824 R C 2.146 178.263 176.300 -0.305 0.000 1.249 824 R CA 1.205 57.044 56.100 -0.436 0.000 1.025 824 R CB -0.258 29.527 30.300 -0.859 0.000 0.911 824 R HN 0.149 nan 8.270 nan 0.000 0.456 825 T N 1.572 115.925 114.554 -0.334 0.000 2.652 825 T HA -0.126 4.224 4.350 0.001 0.000 0.267 825 T C 1.703 176.376 174.700 -0.045 0.000 1.039 825 T CA 1.716 63.742 62.100 -0.123 0.000 1.153 825 T CB -0.140 68.713 68.868 -0.025 0.000 0.863 825 T HN 0.249 nan 8.240 nan 0.000 0.428 826 K N 0.784 121.161 120.400 -0.038 0.000 1.973 826 K HA -0.008 4.313 4.320 0.001 0.000 0.210 826 K C 2.478 179.076 176.600 -0.002 0.000 1.045 826 K CA 1.286 57.571 56.287 -0.002 0.000 0.937 826 K CB -0.031 32.479 32.500 0.017 0.000 0.721 826 K HN 0.366 nan 8.250 nan 0.000 0.438 827 E N 0.458 120.648 120.200 -0.017 0.000 2.385 827 E HA -0.033 4.318 4.350 0.001 0.000 0.194 827 E C -0.374 176.233 176.600 0.010 0.000 1.013 827 E CA 0.022 56.429 56.400 0.011 0.000 0.866 827 E CB 0.487 30.196 29.700 0.014 0.000 0.832 827 E HN 0.166 nan 8.360 nan 0.000 0.500 828 Q N -0.143 119.640 119.800 -0.028 0.000 2.451 828 Q HA -0.222 4.119 4.340 0.001 0.000 0.305 828 Q C 0.941 176.945 176.000 0.007 0.000 1.345 828 Q CA 0.482 56.273 55.803 -0.019 0.000 0.854 828 Q CB -2.073 26.669 28.738 0.007 0.000 1.162 828 Q HN 0.450 nan 8.270 nan 0.000 0.440 829 L N -1.728 119.493 121.223 -0.003 0.000 2.093 829 L HA -0.021 4.319 4.340 0.001 0.000 0.208 829 L C 1.356 178.247 176.870 0.035 0.000 1.085 829 L CA 1.491 56.352 54.840 0.035 0.000 0.755 829 L CB -0.027 42.046 42.059 0.022 0.000 0.904 829 L HN 0.503 nan 8.230 nan 0.000 0.435 830 G N -3.354 105.454 108.800 0.013 0.000 2.356 830 G HA2 0.071 4.031 3.960 0.001 0.000 0.294 830 G HA3 0.071 4.031 3.960 0.001 0.000 0.294 830 G C -0.864 174.076 174.900 0.066 0.000 1.423 830 G CA -0.348 44.786 45.100 0.056 0.000 0.806 830 G HN -0.143 nan 8.290 nan 0.000 0.527 831 Y N 0.302 120.599 120.300 -0.005 0.000 2.314 831 Y HA 0.349 4.899 4.550 0.001 0.000 0.293 831 Y C 1.190 177.109 175.900 0.031 0.000 1.129 831 Y CA 0.962 59.077 58.100 0.025 0.000 1.201 831 Y CB 0.062 38.554 38.460 0.053 0.000 0.999 831 Y HN 0.287 nan 8.280 nan 0.000 0.541 832 I N 1.932 122.500 120.570 -0.003 0.000 2.312 832 I HA 0.281 4.452 4.170 0.001 0.000 0.291 832 I C -1.117 174.975 176.117 -0.043 0.000 1.031 832 I CA -0.481 60.756 61.300 -0.105 0.000 1.293 832 I CB 1.081 38.982 38.000 -0.165 0.000 1.403 832 I HN -0.255 nan 8.210 nan 0.000 0.484 833 V N 7.562 127.476 119.914 -0.001 0.000 2.612 833 V HA 0.417 4.538 4.120 0.001 0.000 0.301 833 V C -0.995 175.222 176.094 0.205 0.000 1.059 833 V CA -0.677 61.664 62.300 0.067 0.000 0.886 833 V CB 1.960 33.747 31.823 -0.060 0.000 1.007 833 V HN 0.503 nan 8.190 nan 0.000 0.426 834 F N 4.275 124.254 119.950 0.048 0.000 2.578 834 F HA 0.854 5.382 4.527 0.001 0.000 0.311 834 F C -0.102 175.689 175.800 -0.013 0.000 1.094 834 F CA -0.047 57.970 58.000 0.028 0.000 0.923 834 F CB 2.315 41.325 39.000 0.018 0.000 1.230 834 F HN 0.548 nan 8.300 nan 0.000 0.450 835 S N 3.596 118.756 115.700 -0.899 0.000 2.627 835 S HA 1.039 5.510 4.470 0.001 0.000 0.283 835 S C -0.615 173.353 174.600 -1.054 0.000 1.127 835 S CA -0.188 57.470 58.200 -0.902 0.000 0.863 835 S CB 1.716 64.383 63.200 -0.888 0.000 1.121 835 S HN 1.886 nan 8.310 nan 0.000 0.479 836 G N 0.353 108.814 108.800 -0.565 0.000 2.356 836 G HA2 0.412 4.372 3.960 0.001 0.000 0.300 836 G HA3 0.412 4.372 3.960 0.001 0.000 0.300 836 G C -3.714 171.194 174.900 0.014 0.000 1.331 836 G CA -0.828 44.103 45.100 -0.283 0.000 0.905 836 G HN 0.682 nan 8.290 nan 0.000 0.587 837 P HA 0.328 nan 4.420 nan 0.000 0.268 837 P C -0.350 177.056 177.300 0.176 0.000 1.204 837 P CA 0.064 63.255 63.100 0.152 0.000 0.768 837 P CB 0.583 32.351 31.700 0.113 0.000 0.842 838 R N 3.103 123.720 120.500 0.195 0.000 2.338 838 R HA 0.490 4.830 4.340 0.001 0.000 0.317 838 R C -0.638 175.709 176.300 0.080 0.000 0.968 838 R CA -0.776 55.383 56.100 0.098 0.000 0.849 838 R CB 0.730 31.008 30.300 -0.037 0.000 1.128 838 R HN 0.324 nan 8.270 nan 0.000 0.448 839 R N 1.882 122.396 120.500 0.023 0.000 2.439 839 R HA 0.567 4.908 4.340 0.001 0.000 0.310 839 R C -1.508 174.773 176.300 -0.032 0.000 0.955 839 R CA -0.440 55.661 56.100 0.002 0.000 0.853 839 R CB 2.227 32.522 30.300 -0.009 0.000 1.171 839 R HN 0.675 nan 8.270 nan 0.000 0.449 840 A N 2.495 125.292 122.820 -0.037 0.000 2.427 840 A HA 0.502 4.822 4.320 0.001 0.000 0.298 840 A C -0.701 176.865 177.584 -0.031 0.000 1.036 840 A CA -0.769 51.245 52.037 -0.038 0.000 0.701 840 A CB 0.855 19.825 19.000 -0.050 0.000 1.250 840 A HN 0.779 nan 8.150 nan 0.000 0.412 841 N N 0.931 119.622 118.700 -0.015 0.000 2.725 841 N HA -0.234 4.507 4.740 0.001 0.000 0.249 841 N C 1.022 176.509 175.510 -0.039 0.000 1.103 841 N CA 2.500 55.554 53.050 0.006 0.000 0.707 841 N CB -1.161 37.358 38.487 0.053 0.000 1.043 841 N HN 2.310 nan 8.380 nan 0.000 0.553 842 G N -1.828 106.928 108.800 -0.074 0.000 2.195 842 G HA2 -0.292 3.669 3.960 0.001 0.000 0.246 842 G HA3 -0.292 3.669 3.960 0.001 0.000 0.246 842 G C 0.099 174.912 174.900 -0.145 0.000 0.984 842 G CA 0.543 45.582 45.100 -0.101 0.000 0.633 842 G HN 0.395 nan 8.290 nan 0.000 0.525 843 I N 0.633 121.100 120.570 -0.172 0.000 3.076 843 I HA 0.732 4.902 4.170 0.001 0.000 0.313 843 I C 0.455 176.523 176.117 -0.082 0.000 1.053 843 I CA -0.720 60.420 61.300 -0.267 0.000 1.048 843 I CB 1.320 39.031 38.000 -0.481 0.000 1.264 843 I HN 0.621 nan 8.210 nan 0.000 0.498 844 Q N 0.749 120.542 119.800 -0.011 0.000 2.687 844 Q HA 0.763 5.103 4.340 0.001 0.000 0.295 844 Q C -1.171 174.996 176.000 0.278 0.000 0.920 844 Q CA -0.951 54.940 55.803 0.146 0.000 0.766 844 Q CB 2.609 31.402 28.738 0.092 0.000 1.467 844 Q HN 0.874 nan 8.270 nan 0.000 0.415 845 G N 0.178 109.228 108.800 0.417 0.000 2.427 845 G HA2 0.364 4.324 3.960 0.001 0.000 0.306 845 G HA3 0.364 4.324 3.960 0.001 0.000 0.306 845 G C -2.130 173.051 174.900 0.469 0.000 1.280 845 G CA -0.801 44.542 45.100 0.405 0.000 0.837 845 G HN 0.538 nan 8.290 nan 0.000 0.482 846 L N 1.035 122.534 121.223 0.461 0.000 2.317 846 L HA 0.812 5.153 4.340 0.001 0.000 0.281 846 L C 0.071 177.286 176.870 0.574 0.000 1.024 846 L CA -0.809 54.298 54.840 0.446 0.000 0.810 846 L CB 1.424 43.732 42.059 0.416 0.000 1.240 846 L HN 0.894 nan 8.230 nan 0.000 0.427 847 R N 2.917 123.646 120.500 0.381 0.000 2.807 847 R HA 0.714 5.055 4.340 0.001 0.000 0.276 847 R C -1.956 174.455 176.300 0.184 0.000 0.979 847 R CA -0.692 55.658 56.100 0.417 0.000 0.928 847 R CB 1.787 32.304 30.300 0.363 0.000 1.191 847 R HN 0.304 nan 8.270 nan 0.000 0.471 848 F N 1.316 121.472 119.950 0.343 0.000 2.551 848 F HA 0.583 5.110 4.527 0.001 0.000 0.316 848 F C -0.321 175.651 175.800 0.286 0.000 1.089 848 F CA -0.897 57.272 58.000 0.282 0.000 0.915 848 F CB 2.250 41.393 39.000 0.239 0.000 1.186 848 F HN 0.289 nan 8.300 nan 0.000 0.456 849 I N 4.546 125.395 120.570 0.465 0.000 2.499 849 I HA 0.510 4.680 4.170 0.001 0.000 0.288 849 I C -1.021 175.253 176.117 0.263 0.000 1.048 849 I CA -0.398 61.109 61.300 0.344 0.000 1.062 849 I CB 1.958 40.140 38.000 0.302 0.000 1.238 849 I HN 0.423 nan 8.210 nan 0.000 0.426 850 I N 5.348 126.038 120.570 0.200 0.000 2.647 850 I HA 0.394 4.565 4.170 0.001 0.000 0.295 850 I C -0.763 175.417 176.117 0.106 0.000 1.078 850 I CA -0.551 60.824 61.300 0.125 0.000 1.048 850 I CB 2.461 40.525 38.000 0.107 0.000 1.239 850 I HN 0.545 nan 8.210 nan 0.000 0.421 851 Q N 4.124 123.962 119.800 0.064 0.000 2.353 851 Q HA 0.743 5.083 4.340 0.001 0.000 0.268 851 Q C -1.365 174.678 176.000 0.072 0.000 1.045 851 Q CA -0.306 55.545 55.803 0.081 0.000 0.811 851 Q CB 2.305 31.092 28.738 0.082 0.000 1.305 851 Q HN 0.706 nan 8.270 nan 0.000 0.447 852 S N 1.319 117.062 115.700 0.072 0.000 2.611 852 S HA 0.155 4.625 4.470 0.001 0.000 0.268 852 S C -0.518 174.115 174.600 0.056 0.000 1.156 852 S CA -0.334 57.905 58.200 0.065 0.000 0.817 852 S CB 1.563 64.807 63.200 0.073 0.000 1.122 852 S HN 0.874 nan 8.310 nan 0.000 0.466 853 E N 0.729 120.958 120.200 0.048 0.000 2.389 853 E HA 0.137 4.487 4.350 0.001 0.000 0.199 853 E C -0.368 176.249 176.600 0.028 0.000 0.978 853 E CA -0.085 56.335 56.400 0.033 0.000 0.912 853 E CB 0.060 29.773 29.700 0.021 0.000 0.907 853 E HN 0.374 nan 8.360 nan 0.000 0.494 854 K N 3.206 123.633 120.400 0.045 0.000 2.355 854 K HA 0.180 4.501 4.320 0.001 0.000 0.270 854 K C -2.223 174.422 176.600 0.075 0.000 1.003 854 K CA -1.906 54.411 56.287 0.050 0.000 0.957 854 K CB 0.079 32.661 32.500 0.136 0.000 0.939 854 K HN 0.146 nan 8.250 nan 0.000 0.482 855 P HA 0.045 nan 4.420 nan 0.000 0.268 855 P C -2.102 175.233 177.300 0.058 0.000 1.205 855 P CA -1.216 61.922 63.100 0.063 0.000 0.771 855 P CB 0.085 31.832 31.700 0.079 0.000 0.858 856 P HA -0.171 nan 4.420 nan 0.000 0.216 856 P C 1.374 178.510 177.300 -0.273 0.000 1.150 856 P CA 1.693 64.617 63.100 -0.294 0.000 0.843 856 P CB -0.359 30.933 31.700 -0.679 0.000 0.787 857 H N -3.297 115.720 119.070 -0.089 0.000 2.421 857 H HA -0.170 4.386 4.556 0.001 0.000 0.298 857 H C 1.913 177.309 175.328 0.114 0.000 1.087 857 H CA 0.918 57.011 56.048 0.075 0.000 1.330 857 H CB -0.311 29.537 29.762 0.143 0.000 1.388 857 H HN 0.122 nan 8.280 nan 0.000 0.526 858 Y N 0.285 120.652 120.300 0.112 0.000 2.184 858 Y HA -0.191 4.360 4.550 0.001 0.000 0.290 858 Y C 1.963 177.894 175.900 0.052 0.000 1.129 858 Y CA 0.732 58.876 58.100 0.074 0.000 1.144 858 Y CB -0.323 38.164 38.460 0.046 0.000 0.995 858 Y HN 0.087 nan 8.280 nan 0.000 0.513 859 L N 0.811 122.049 121.223 0.024 0.000 2.043 859 L HA -0.241 4.099 4.340 0.001 0.000 0.212 859 L C 2.437 179.252 176.870 -0.091 0.000 1.075 859 L CA 2.182 56.990 54.840 -0.053 0.000 0.752 859 L CB -1.429 40.632 42.059 0.004 0.000 0.891 859 L HN 0.343 nan 8.230 nan 0.000 0.432 860 E N -0.733 119.457 120.200 -0.016 0.000 2.110 860 E HA -0.181 4.169 4.350 0.001 0.000 0.193 860 E C 2.274 178.863 176.600 -0.019 0.000 0.988 860 E CA 1.417 57.846 56.400 0.049 0.000 0.804 860 E CB 0.038 29.887 29.700 0.249 0.000 0.745 860 E HN 0.596 nan 8.360 nan 0.000 0.458 861 S N 0.016 115.679 115.700 -0.063 0.000 2.387 861 S HA -0.080 4.390 4.470 0.001 0.000 0.226 861 S C 1.926 176.434 174.600 -0.155 0.000 1.026 861 S CA 0.374 58.514 58.200 -0.099 0.000 0.972 861 S CB -0.231 62.915 63.200 -0.090 0.000 0.814 861 S HN 0.151 nan 8.310 nan 0.000 0.477 862 R N 1.212 121.554 120.500 -0.263 0.000 2.081 862 R HA 0.045 4.385 4.340 0.001 0.000 0.235 862 R C 2.405 178.648 176.300 -0.094 0.000 1.131 862 R CA 1.254 57.227 56.100 -0.212 0.000 0.960 862 R CB -1.537 28.583 30.300 -0.300 0.000 0.856 862 R HN 0.434 nan 8.270 nan 0.000 0.436 863 V N 1.964 121.798 119.914 -0.133 0.000 2.332 863 V HA -0.210 3.910 4.120 0.001 0.000 0.248 863 V C 2.390 178.440 176.094 -0.074 0.000 1.055 863 V CA 1.774 63.964 62.300 -0.184 0.000 1.038 863 V CB -0.367 31.230 31.823 -0.377 0.000 0.651 863 V HN 0.276 nan 8.190 nan 0.000 0.450 864 E N 0.151 120.309 120.200 -0.069 0.000 2.072 864 E HA -0.121 4.229 4.350 0.001 0.000 0.190 864 E C 2.396 178.980 176.600 -0.027 0.000 0.982 864 E CA 1.337 57.707 56.400 -0.049 0.000 0.803 864 E CB -0.497 29.161 29.700 -0.069 0.000 0.755 864 E HN 0.566 nan 8.360 nan 0.000 0.453 865 A N 1.456 124.263 122.820 -0.021 0.000 1.873 865 A HA -0.221 4.100 4.320 0.001 0.000 0.218 865 A C 2.105 179.693 177.584 0.007 0.000 1.193 865 A CA 1.612 53.644 52.037 -0.010 0.000 0.629 865 A CB -1.037 17.957 19.000 -0.009 0.000 0.826 865 A HN 0.309 nan 8.150 nan 0.000 0.447 866 F N 0.182 120.085 119.950 -0.078 0.000 2.120 866 F HA -0.217 4.310 4.527 0.001 0.000 0.300 866 F C 1.811 177.591 175.800 -0.033 0.000 1.095 866 F CA 1.711 59.678 58.000 -0.055 0.000 1.249 866 F CB -0.273 38.692 39.000 -0.058 0.000 0.995 866 F HN 0.157 nan 8.300 nan 0.000 0.480 867 L N 0.285 121.390 121.223 -0.196 0.000 2.046 867 L HA -0.226 4.115 4.340 0.001 0.000 0.208 867 L C 2.422 179.144 176.870 -0.246 0.000 1.077 867 L CA 1.306 56.018 54.840 -0.213 0.000 0.747 867 L CB -1.343 40.726 42.059 0.016 0.000 0.896 867 L HN 0.169 nan 8.230 nan 0.000 0.432 868 I N -0.612 119.872 120.570 -0.143 0.000 2.099 868 I HA -0.315 3.856 4.170 0.001 0.000 0.239 868 I C 2.447 178.442 176.117 -0.204 0.000 1.066 868 I CA 1.557 62.786 61.300 -0.118 0.000 1.324 868 I CB -1.756 36.206 38.000 -0.064 0.000 1.037 868 I HN 0.231 nan 8.210 nan 0.000 0.401 869 T N 1.049 115.468 114.554 -0.225 0.000 2.649 869 T HA -0.252 4.098 4.350 0.001 0.000 0.268 869 T C 1.916 176.410 174.700 -0.343 0.000 1.036 869 T CA 1.676 63.633 62.100 -0.238 0.000 1.157 869 T CB -0.188 68.562 68.868 -0.196 0.000 0.861 869 T HN 0.109 nan 8.240 nan 0.000 0.445 870 M N 0.877 120.132 119.600 -0.576 0.000 2.117 870 M HA -0.041 4.440 4.480 0.001 0.000 0.262 870 M C 2.259 178.309 176.300 -0.416 0.000 1.065 870 M CA 1.286 56.258 55.300 -0.547 0.000 1.114 870 M CB -1.137 31.047 32.600 -0.694 0.000 1.361 870 M HN 0.435 nan 8.290 nan 0.000 0.408 871 E N 0.092 120.016 120.200 -0.461 0.000 2.051 871 E HA -0.245 4.105 4.350 0.001 0.000 0.192 871 E C 2.148 178.602 176.600 -0.244 0.000 0.991 871 E CA 1.437 57.558 56.400 -0.464 0.000 0.799 871 E CB -0.127 29.291 29.700 -0.470 0.000 0.748 871 E HN 0.425 nan 8.360 nan 0.000 0.449 872 K N 0.450 120.737 120.400 -0.188 0.000 2.032 872 K HA -0.189 4.131 4.320 0.001 0.000 0.209 872 K C 2.376 178.908 176.600 -0.113 0.000 1.048 872 K CA 1.734 57.949 56.287 -0.121 0.000 0.927 872 K CB -0.391 32.049 32.500 -0.100 0.000 0.712 872 K HN 0.139 nan 8.250 nan 0.000 0.441 873 S N 0.431 116.050 115.700 -0.136 0.000 2.399 873 S HA -0.092 4.379 4.470 0.001 0.000 0.231 873 S C 1.955 176.503 174.600 -0.088 0.000 1.022 873 S CA 0.948 59.087 58.200 -0.102 0.000 0.983 873 S CB -0.255 62.879 63.200 -0.110 0.000 0.803 873 S HN 0.372 nan 8.310 nan 0.000 0.480 874 I N 0.806 121.304 120.570 -0.120 0.000 2.353 874 I HA -0.034 4.136 4.170 0.001 0.000 0.248 874 I C 2.667 178.739 176.117 -0.075 0.000 1.119 874 I CA 1.143 62.394 61.300 -0.082 0.000 1.417 874 I CB -0.369 37.576 38.000 -0.092 0.000 1.078 874 I HN 0.294 nan 8.210 nan 0.000 0.421 875 E N 1.128 121.276 120.200 -0.087 0.000 2.130 875 E HA -0.245 4.106 4.350 0.001 0.000 0.196 875 E C 1.156 177.722 176.600 -0.058 0.000 0.998 875 E CA 1.437 57.793 56.400 -0.072 0.000 0.806 875 E CB 0.033 29.693 29.700 -0.067 0.000 0.738 875 E HN 0.376 nan 8.360 nan 0.000 0.459 876 D N -0.982 119.389 120.400 -0.048 0.000 2.369 876 D HA 0.059 4.699 4.640 0.001 0.000 0.211 876 D C 0.194 176.484 176.300 -0.017 0.000 1.077 876 D CA -0.019 53.962 54.000 -0.032 0.000 0.842 876 D CB 0.019 40.803 40.800 -0.027 0.000 0.947 876 D HN 0.242 nan 8.370 nan 0.000 0.509 877 M N 1.909 121.502 119.600 -0.013 0.000 2.217 877 M HA 0.078 4.558 4.480 0.001 0.000 0.354 877 M C 0.224 176.539 176.300 0.024 0.000 1.225 877 M CA -0.142 55.173 55.300 0.024 0.000 1.137 877 M CB 0.754 33.388 32.600 0.058 0.000 1.576 877 M HN -0.054 nan 8.290 nan 0.000 0.461 878 T N 0.699 115.277 114.554 0.040 0.000 2.898 878 T HA 0.081 4.432 4.350 0.001 0.000 0.301 878 T C 0.812 175.552 174.700 0.066 0.000 1.049 878 T CA -0.552 61.569 62.100 0.034 0.000 1.095 878 T CB 1.021 69.908 68.868 0.031 0.000 0.976 878 T HN 0.802 nan 8.240 nan 0.000 0.539 879 E N 0.509 120.736 120.200 0.045 0.000 2.219 879 E HA -0.211 4.139 4.350 0.001 0.000 0.198 879 E C 1.868 178.547 176.600 0.131 0.000 0.998 879 E CA 1.684 58.134 56.400 0.084 0.000 0.818 879 E CB -0.250 29.475 29.700 0.042 0.000 0.741 879 E HN 0.865 nan 8.360 nan 0.000 0.477 880 E N -0.977 119.269 120.200 0.076 0.000 2.076 880 E HA -0.094 4.256 4.350 0.001 0.000 0.190 880 E C 1.934 178.548 176.600 0.024 0.000 0.979 880 E CA 0.744 57.171 56.400 0.045 0.000 0.807 880 E CB -0.152 29.563 29.700 0.024 0.000 0.761 880 E HN 0.343 nan 8.360 nan 0.000 0.454 881 A N 0.891 123.736 122.820 0.041 0.000 1.908 881 A HA -0.209 4.111 4.320 0.001 0.000 0.218 881 A C 1.956 179.569 177.584 0.047 0.000 1.181 881 A CA 1.252 53.291 52.037 0.002 0.000 0.627 881 A CB -0.867 18.165 19.000 0.052 0.000 0.818 881 A HN 0.431 nan 8.150 nan 0.000 0.445 882 F N 0.688 120.645 119.950 0.010 0.000 2.069 882 F HA -0.241 4.286 4.527 0.000 0.000 0.298 882 F C 2.531 178.335 175.800 0.006 0.000 1.113 882 F CA 2.343 60.369 58.000 0.044 0.000 1.214 882 F CB -0.248 38.764 39.000 0.019 0.000 0.978 882 F HN 0.215 nan 8.300 nan 0.000 0.474 883 Q N 0.526 120.304 119.800 -0.037 0.000 2.226 883 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 883 Q C 2.214 178.077 176.000 -0.229 0.000 0.975 883 Q CA 1.379 57.095 55.803 -0.145 0.000 0.866 883 Q CB -0.443 28.286 28.738 -0.015 0.000 0.915 883 Q HN 0.509 nan 8.270 nan 0.000 0.440 884 K N -0.379 119.862 120.400 -0.265 0.000 2.026 884 K HA -0.149 4.171 4.320 0.001 0.000 0.208 884 K C 2.039 178.352 176.600 -0.478 0.000 1.048 884 K CA 1.063 57.102 56.287 -0.414 0.000 0.929 884 K CB -0.114 32.066 32.500 -0.533 0.000 0.713 884 K HN 0.319 nan 8.250 nan 0.000 0.439 885 H N 0.805 119.672 119.070 -0.339 0.000 2.319 885 H HA -0.143 4.413 4.556 0.001 0.000 0.297 885 H C 2.251 177.374 175.328 -0.342 0.000 1.097 885 H CA 1.565 57.410 56.048 -0.339 0.000 1.285 885 H CB -0.399 29.165 29.762 -0.330 0.000 1.368 885 H HN 0.185 nan 8.280 nan 0.000 0.495 886 I N 0.673 121.046 120.570 -0.328 0.000 2.151 886 I HA -0.323 3.848 4.170 0.001 0.000 0.243 886 I C 2.714 178.722 176.117 -0.181 0.000 1.080 886 I CA 1.639 62.772 61.300 -0.279 0.000 1.339 886 I CB -0.254 37.552 38.000 -0.324 0.000 1.039 886 I HN 0.203 nan 8.210 nan 0.000 0.409 887 Q N 1.021 120.704 119.800 -0.195 0.000 2.172 887 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 887 Q C 2.067 177.979 176.000 -0.148 0.000 0.964 887 Q CA 1.993 57.705 55.803 -0.150 0.000 0.855 887 Q CB -0.228 28.418 28.738 -0.153 0.000 0.918 887 Q HN 0.492 nan 8.270 nan 0.000 0.444 888 A N -0.045 122.657 122.820 -0.196 0.000 1.897 888 A HA -0.078 4.242 4.320 0.001 0.000 0.215 888 A C 1.947 179.472 177.584 -0.100 0.000 1.181 888 A CA 1.236 53.168 52.037 -0.174 0.000 0.620 888 A CB -0.785 18.073 19.000 -0.237 0.000 0.821 888 A HN 0.434 nan 8.150 nan 0.000 0.443 889 L N 0.064 121.234 121.223 -0.089 0.000 2.012 889 L HA -0.128 4.212 4.340 0.001 0.000 0.210 889 L C 2.721 179.563 176.870 -0.046 0.000 1.073 889 L CA 2.188 56.992 54.840 -0.060 0.000 0.748 889 L CB -1.004 41.017 42.059 -0.062 0.000 0.891 889 L HN 0.379 nan 8.230 nan 0.000 0.431 890 A N -0.145 122.642 122.820 -0.055 0.000 1.873 890 A HA -0.226 4.094 4.320 0.001 0.000 0.218 890 A C 2.156 179.730 177.584 -0.016 0.000 1.193 890 A CA 2.167 54.185 52.037 -0.033 0.000 0.629 890 A CB -0.847 18.130 19.000 -0.037 0.000 0.826 890 A HN 0.439 nan 8.150 nan 0.000 0.447 891 I N -0.162 120.394 120.570 -0.024 0.000 2.208 891 I HA -0.253 3.917 4.170 0.001 0.000 0.245 891 I C 2.582 178.704 176.117 0.008 0.000 1.097 891 I CA 1.702 63.002 61.300 -0.001 0.000 1.363 891 I CB -1.500 36.495 38.000 -0.007 0.000 1.051 891 I HN 0.380 nan 8.210 nan 0.000 0.413 892 R N 0.155 120.652 120.500 -0.006 0.000 2.073 892 R HA -0.103 4.238 4.340 0.001 0.000 0.234 892 R C 2.370 178.676 176.300 0.008 0.000 1.134 892 R CA 0.885 56.987 56.100 0.003 0.000 0.952 892 R CB -0.256 30.041 30.300 -0.006 0.000 0.850 892 R HN 0.297 nan 8.270 nan 0.000 0.433 893 R N 0.687 121.188 120.500 0.002 0.000 2.115 893 R HA -0.012 4.329 4.340 0.001 0.000 0.230 893 R C 2.056 178.365 176.300 0.016 0.000 1.111 893 R CA 0.984 57.087 56.100 0.005 0.000 0.976 893 R CB -0.328 29.971 30.300 -0.002 0.000 0.870 893 R HN 0.299 nan 8.270 nan 0.000 0.445 894 L N 0.658 121.894 121.223 0.022 0.000 2.567 894 L HA 0.071 4.411 4.340 0.001 0.000 0.225 894 L C 0.239 177.134 176.870 0.042 0.000 1.119 894 L CA -0.264 54.597 54.840 0.035 0.000 0.871 894 L CB -0.080 42.000 42.059 0.035 0.000 1.036 894 L HN -0.053 nan 8.230 nan 0.000 0.459 895 D N 2.434 122.858 120.400 0.040 0.000 2.433 895 D HA -0.074 4.566 4.640 0.001 0.000 0.274 895 D C 0.274 176.601 176.300 0.046 0.000 1.344 895 D CA 0.480 54.508 54.000 0.046 0.000 0.989 895 D CB 0.324 41.150 40.800 0.042 0.000 1.116 895 D HN -0.043 nan 8.370 nan 0.000 0.533 896 K N 4.451 124.881 120.400 0.051 0.000 2.550 896 K HA 0.037 4.358 4.320 0.001 0.000 0.280 896 K C -2.141 174.499 176.600 0.068 0.000 0.987 896 K CA -0.768 55.553 56.287 0.056 0.000 1.048 896 K CB 0.284 32.813 32.500 0.049 0.000 0.879 896 K HN 0.363 nan 8.250 nan 0.000 0.491 897 P HA 0.035 nan 4.420 nan 0.000 0.271 897 P C -0.625 176.784 177.300 0.180 0.000 1.216 897 P CA -0.036 63.124 63.100 0.099 0.000 0.771 897 P CB 0.901 32.667 31.700 0.110 0.000 0.864 898 K N 1.524 121.954 120.400 0.049 0.000 2.356 898 K HA 0.053 4.373 4.320 0.001 0.000 0.195 898 K C 0.833 177.317 176.600 -0.194 0.000 1.037 898 K CA 0.662 56.978 56.287 0.048 0.000 1.014 898 K CB 0.133 32.617 32.500 -0.028 0.000 0.815 898 K HN 0.472 nan 8.250 nan 0.000 0.507 899 K N -0.491 119.607 120.400 -0.504 0.000 2.444 899 K HA 0.220 4.540 4.320 0.001 0.000 0.252 899 K C 0.348 176.199 176.600 -1.250 0.000 0.993 899 K CA -0.744 54.946 56.287 -0.995 0.000 0.847 899 K CB 1.353 33.546 32.500 -0.513 0.000 1.340 899 K HN -0.203 nan 8.250 nan 0.000 0.446 900 L N 1.858 122.293 121.223 -1.312 0.000 2.013 900 L HA -0.255 4.085 4.340 0.001 0.000 0.212 900 L C 2.346 179.033 176.870 -0.306 0.000 1.073 900 L CA 2.877 57.327 54.840 -0.651 0.000 0.753 900 L CB -0.604 41.197 42.059 -0.430 0.000 0.890 900 L HN 0.959 nan 8.230 nan 0.000 0.432 901 S N -1.232 114.292 115.700 -0.294 0.000 2.489 901 S HA 0.057 4.527 4.470 0.001 0.000 0.228 901 S C 2.023 176.546 174.600 -0.129 0.000 0.995 901 S CA 0.460 58.559 58.200 -0.169 0.000 0.934 901 S CB -0.587 62.517 63.200 -0.160 0.000 0.771 901 S HN 0.490 nan 8.310 nan 0.000 0.522 902 A N 1.812 124.533 122.820 -0.164 0.000 1.898 902 A HA -0.043 4.277 4.320 0.001 0.000 0.216 902 A C 2.182 179.704 177.584 -0.103 0.000 1.181 902 A CA 1.445 53.416 52.037 -0.111 0.000 0.620 902 A CB -0.769 18.167 19.000 -0.107 0.000 0.819 902 A HN 0.662 nan 8.150 nan 0.000 0.442 903 E N 0.017 120.164 120.200 -0.089 0.000 2.106 903 E HA -0.127 4.223 4.350 0.001 0.000 0.192 903 E C 2.079 178.475 176.600 -0.339 0.000 0.984 903 E CA 1.245 57.540 56.400 -0.174 0.000 0.806 903 E CB -0.022 29.723 29.700 0.075 0.000 0.750 903 E HN 0.593 nan 8.360 nan 0.000 0.458 904 S N 0.658 116.341 115.700 -0.028 0.000 2.368 904 S HA -0.134 4.336 4.470 0.001 0.000 0.224 904 S C 2.078 176.715 174.600 0.063 0.000 1.029 904 S CA 0.863 59.109 58.200 0.078 0.000 0.988 904 S CB -0.237 63.053 63.200 0.150 0.000 0.838 904 S HN 0.449 nan 8.310 nan 0.000 0.462 905 A N 2.218 125.050 122.820 0.020 0.000 1.873 905 A HA -0.228 4.092 4.320 0.001 0.000 0.218 905 A C 2.079 179.707 177.584 0.073 0.000 1.193 905 A CA 1.798 53.881 52.037 0.076 0.000 0.629 905 A CB -0.623 18.388 19.000 0.019 0.000 0.826 905 A HN 0.419 nan 8.150 nan 0.000 0.447 906 K N -1.317 119.055 120.400 -0.048 0.000 2.001 906 K HA -0.220 4.101 4.320 0.001 0.000 0.214 906 K C 1.958 178.617 176.600 0.098 0.000 1.050 906 K CA 2.272 58.531 56.287 -0.048 0.000 0.934 906 K CB -0.509 31.895 32.500 -0.160 0.000 0.718 906 K HN 0.757 nan 8.250 nan 0.000 0.443 907 Y N -0.749 119.631 120.300 0.133 0.000 2.145 907 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 907 Y C 2.430 178.471 175.900 0.235 0.000 1.145 907 Y CA 0.368 58.593 58.100 0.209 0.000 1.148 907 Y CB -0.365 38.109 38.460 0.023 0.000 0.981 907 Y HN 0.365 nan 8.280 nan 0.000 0.507 908 W N 1.496 122.876 121.300 0.133 0.000 2.325 908 W HA -0.232 4.429 4.660 0.001 0.000 0.299 908 W C 2.160 178.655 176.519 -0.040 0.000 1.215 908 W CA 1.416 58.786 57.345 0.041 0.000 1.244 908 W CB -0.460 29.022 29.460 0.036 0.000 1.140 908 W HN 0.187 nan 8.180 nan 0.000 0.523 909 G N 0.392 109.194 108.800 0.004 0.000 2.446 909 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 909 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 909 G C 1.283 176.011 174.900 -0.287 0.000 1.168 909 G CA 1.102 46.112 45.100 -0.151 0.000 0.771 909 G HN 0.200 nan 8.290 nan 0.000 0.551 910 E N 0.373 120.413 120.200 -0.267 0.000 2.110 910 E HA -0.053 4.297 4.350 0.001 0.000 0.193 910 E C 2.574 178.723 176.600 -0.751 0.000 0.988 910 E CA 0.540 56.644 56.400 -0.494 0.000 0.804 910 E CB -0.135 29.204 29.700 -0.602 0.000 0.745 910 E HN 0.549 nan 8.360 nan 0.000 0.458 911 I N 1.010 121.204 120.570 -0.626 0.000 2.235 911 I HA -0.186 3.984 4.170 0.001 0.000 0.241 911 I C 2.578 178.255 176.117 -0.734 0.000 1.085 911 I CA 0.725 61.579 61.300 -0.743 0.000 1.378 911 I CB -0.323 37.383 38.000 -0.491 0.000 1.076 911 I HN 0.060 nan 8.210 nan 0.000 0.415 912 I N -0.875 119.204 120.570 -0.818 0.000 2.546 912 I HA -0.149 4.021 4.170 0.001 0.000 0.255 912 I C 2.456 178.321 176.117 -0.421 0.000 1.163 912 I CA 1.523 62.455 61.300 -0.613 0.000 1.457 912 I CB -0.518 37.084 38.000 -0.663 0.000 1.092 912 I HN 0.162 nan 8.210 nan 0.000 0.434 913 S N 0.551 115.984 115.700 -0.444 0.000 2.561 913 S HA -0.042 4.428 4.470 0.001 0.000 0.225 913 S C 1.123 175.475 174.600 -0.413 0.000 0.977 913 S CA 0.298 58.291 58.200 -0.344 0.000 0.926 913 S CB -0.611 62.409 63.200 -0.301 0.000 0.769 913 S HN 0.719 nan 8.310 nan 0.000 0.533 914 Q N -0.174 119.241 119.800 -0.642 0.000 2.481 914 Q HA -0.265 4.075 4.340 0.001 0.000 0.272 914 Q C 0.548 176.148 176.000 -0.665 0.000 1.157 914 Q CA 1.142 56.451 55.803 -0.824 0.000 0.935 914 Q CB -2.059 26.494 28.738 -0.309 0.000 1.338 914 Q HN 0.772 nan 8.270 nan 0.000 0.494 915 Q N -1.176 118.225 119.800 -0.665 0.000 2.396 915 Q HA 0.027 4.367 4.340 0.001 0.000 0.209 915 Q C -0.251 175.522 176.000 -0.379 0.000 0.906 915 Q CA 0.220 55.799 55.803 -0.373 0.000 0.927 915 Q CB 0.367 28.927 28.738 -0.297 0.000 1.069 915 Q HN 0.546 nan 8.270 nan 0.000 0.523 916 Y N 0.318 120.296 120.300 -0.538 0.000 3.515 916 Y HA -0.266 4.285 4.550 0.001 0.000 0.214 916 Y C 0.273 175.540 175.900 -1.056 0.000 1.166 916 Y CA 0.412 57.946 58.100 -0.943 0.000 1.435 916 Y CB -1.946 36.146 38.460 -0.613 0.000 1.414 916 Y HN 0.174 nan 8.280 nan 0.000 0.608 917 N N 0.806 119.057 118.700 -0.748 0.000 3.188 917 N HA 0.150 4.890 4.740 0.001 0.000 0.279 917 N C 0.386 175.517 175.510 -0.632 0.000 1.213 917 N CA -0.300 52.318 53.050 -0.719 0.000 1.138 917 N CB -0.443 37.680 38.487 -0.607 0.000 1.417 917 N HN 0.179 nan 8.380 nan 0.000 0.526 918 F N -0.207 119.470 119.950 -0.456 0.000 2.451 918 F HA -0.009 4.519 4.527 0.001 0.000 0.299 918 F C 1.716 176.999 175.800 -0.861 0.000 1.101 918 F CA 0.501 58.125 58.000 -0.627 0.000 1.436 918 F CB -0.012 38.490 39.000 -0.831 0.000 1.074 918 F HN 0.340 nan 8.300 nan 0.000 0.553 919 D N -0.432 119.658 120.400 -0.516 0.000 2.388 919 D HA 0.035 4.676 4.640 0.001 0.000 0.221 919 D C 2.124 178.321 176.300 -0.173 0.000 1.133 919 D CA -0.068 53.738 54.000 -0.322 0.000 0.831 919 D CB -0.093 40.631 40.800 -0.126 0.000 0.962 919 D HN 0.055 nan 8.370 nan 0.000 0.502 920 R N 0.365 120.735 120.500 -0.218 0.000 2.096 920 R HA -0.184 4.156 4.340 0.001 0.000 0.240 920 R C 0.853 177.100 176.300 -0.088 0.000 1.139 920 R CA 1.862 57.853 56.100 -0.182 0.000 0.952 920 R CB -0.057 30.129 30.300 -0.191 0.000 0.854 920 R HN 0.110 nan 8.270 nan 0.000 0.436 921 D N 0.098 120.471 120.400 -0.045 0.000 2.104 921 D HA -0.151 4.489 4.640 0.001 0.000 0.194 921 D C 1.620 177.928 176.300 0.012 0.000 0.994 921 D CA 1.676 55.672 54.000 -0.005 0.000 0.830 921 D CB -0.518 40.297 40.800 0.025 0.000 0.959 921 D HN 0.450 nan 8.370 nan 0.000 0.452 922 N N -0.382 118.335 118.700 0.029 0.000 2.084 922 N HA -0.130 4.610 4.740 0.001 0.000 0.190 922 N C 1.891 177.421 175.510 0.033 0.000 1.030 922 N CA 2.039 55.115 53.050 0.043 0.000 0.849 922 N CB -0.116 38.413 38.487 0.070 0.000 1.012 922 N HN 0.251 nan 8.380 nan 0.000 0.423 923 T N -1.375 113.187 114.554 0.013 0.000 2.857 923 T HA -0.000 4.350 4.350 0.001 0.000 0.266 923 T C 1.587 176.307 174.700 0.033 0.000 1.048 923 T CA 0.901 63.014 62.100 0.021 0.000 1.139 923 T CB -0.220 68.649 68.868 0.001 0.000 0.874 923 T HN 0.188 nan 8.240 nan 0.000 0.455 924 E N 0.601 120.803 120.200 0.003 0.000 2.107 924 E HA -0.014 4.336 4.350 0.001 0.000 0.191 924 E C 2.343 178.983 176.600 0.068 0.000 0.982 924 E CA 0.801 57.213 56.400 0.020 0.000 0.809 924 E CB -0.144 29.538 29.700 -0.031 0.000 0.756 924 E HN 0.335 nan 8.360 nan 0.000 0.459 925 V N 1.367 121.304 119.914 0.039 0.000 2.358 925 V HA -0.255 3.865 4.120 0.001 0.000 0.246 925 V C 2.337 178.454 176.094 0.038 0.000 1.047 925 V CA 1.723 64.041 62.300 0.030 0.000 1.035 925 V CB -0.684 31.148 31.823 0.016 0.000 0.658 925 V HN 0.301 nan 8.190 nan 0.000 0.452 926 A N -0.536 122.316 122.820 0.054 0.000 1.873 926 A HA -0.331 3.989 4.320 0.001 0.000 0.218 926 A C 2.173 179.801 177.584 0.073 0.000 1.193 926 A CA 2.510 54.581 52.037 0.057 0.000 0.629 926 A CB -0.930 18.111 19.000 0.067 0.000 0.826 926 A HN 0.638 nan 8.150 nan 0.000 0.447 927 Y N 0.080 120.365 120.300 -0.025 0.000 2.070 927 Y HA -0.214 4.336 4.550 0.001 0.000 0.280 927 Y C 2.122 178.004 175.900 -0.030 0.000 1.148 927 Y CA 1.784 59.863 58.100 -0.036 0.000 1.125 927 Y CB -0.479 37.938 38.460 -0.071 0.000 0.975 927 Y HN 0.250 nan 8.280 nan 0.000 0.492 928 L N 0.619 121.821 121.223 -0.036 0.000 2.151 928 L HA -0.399 3.941 4.340 0.001 0.000 0.219 928 L C 2.149 178.946 176.870 -0.122 0.000 1.083 928 L CA 2.335 57.121 54.840 -0.090 0.000 0.782 928 L CB -0.502 41.544 42.059 -0.022 0.000 0.891 928 L HN 0.417 nan 8.230 nan 0.000 0.439 929 K N -1.116 119.228 120.400 -0.093 0.000 2.211 929 K HA -0.141 4.179 4.320 0.001 0.000 0.203 929 K C 1.745 178.302 176.600 -0.072 0.000 1.050 929 K CA 1.759 58.006 56.287 -0.068 0.000 0.945 929 K CB -0.205 32.273 32.500 -0.036 0.000 0.732 929 K HN 0.544 nan 8.250 nan 0.000 0.451 930 T N -0.845 113.620 114.554 -0.149 0.000 3.100 930 T HA 0.066 4.416 4.350 0.001 0.000 0.253 930 T C 0.592 175.222 174.700 -0.117 0.000 1.118 930 T CA -0.237 61.783 62.100 -0.133 0.000 1.058 930 T CB 0.009 68.776 68.868 -0.168 0.000 0.953 930 T HN -0.184 nan 8.240 nan 0.000 0.515 931 L N 3.866 125.017 121.223 -0.120 0.000 2.426 931 L HA 0.407 4.748 4.340 0.001 0.000 0.271 931 L C 1.007 178.011 176.870 0.223 0.000 1.169 931 L CA 0.165 55.026 54.840 0.035 0.000 0.836 931 L CB 0.947 43.055 42.059 0.082 0.000 1.112 931 L HN 0.494 nan 8.230 nan 0.000 0.465 932 T N -0.413 114.241 114.554 0.166 0.000 2.952 932 T HA 0.319 4.669 4.350 0.001 0.000 0.286 932 T C 1.051 175.593 174.700 -0.263 0.000 1.024 932 T CA -0.796 61.322 62.100 0.029 0.000 1.029 932 T CB 1.303 70.134 68.868 -0.062 0.000 1.094 932 T HN 0.535 nan 8.240 nan 0.000 0.515 933 K N 0.239 120.037 120.400 -1.003 0.000 2.074 933 K HA -0.218 4.103 4.320 0.001 0.000 0.209 933 K C 2.024 178.409 176.600 -0.359 0.000 1.048 933 K CA 2.000 57.657 56.287 -1.051 0.000 0.926 933 K CB -0.252 31.674 32.500 -0.956 0.000 0.713 933 K HN 0.874 nan 8.250 nan 0.000 0.444 934 E N 0.291 120.347 120.200 -0.241 0.000 2.153 934 E HA -0.190 4.160 4.350 0.001 0.000 0.194 934 E C 1.330 177.887 176.600 -0.072 0.000 0.988 934 E CA 1.302 57.629 56.400 -0.122 0.000 0.811 934 E CB 0.131 29.774 29.700 -0.095 0.000 0.746 934 E HN 0.291 nan 8.360 nan 0.000 0.466 935 D N 0.666 121.034 120.400 -0.054 0.000 2.097 935 D HA -0.163 4.477 4.640 0.001 0.000 0.195 935 D C 1.956 178.209 176.300 -0.077 0.000 0.989 935 D CA 0.737 54.701 54.000 -0.061 0.000 0.827 935 D CB -0.117 40.703 40.800 0.033 0.000 0.966 935 D HN 0.244 nan 8.370 nan 0.000 0.456 936 I N 1.173 121.772 120.570 0.049 0.000 2.286 936 I HA -0.182 3.988 4.170 0.001 0.000 0.248 936 I C 2.528 178.766 176.117 0.201 0.000 1.115 936 I CA 0.629 62.040 61.300 0.185 0.000 1.392 936 I CB -0.898 37.297 38.000 0.326 0.000 1.065 936 I HN 0.018 nan 8.210 nan 0.000 0.418 937 I N 0.511 121.137 120.570 0.093 0.000 2.179 937 I HA -0.337 3.833 4.170 0.001 0.000 0.242 937 I C 2.569 178.733 176.117 0.080 0.000 1.088 937 I CA 1.414 62.772 61.300 0.096 0.000 1.357 937 I CB -0.390 37.621 38.000 0.019 0.000 1.051 937 I HN 0.130 nan 8.210 nan 0.000 0.409 938 K N 1.109 121.512 120.400 0.005 0.000 2.032 938 K HA -0.260 4.060 4.320 0.001 0.000 0.209 938 K C 2.159 178.716 176.600 -0.072 0.000 1.048 938 K CA 1.772 58.034 56.287 -0.042 0.000 0.927 938 K CB -0.502 31.962 32.500 -0.061 0.000 0.712 938 K HN 0.193 nan 8.250 nan 0.000 0.441 939 F N 0.494 120.289 119.950 -0.258 0.000 2.091 939 F HA -0.304 4.224 4.527 0.001 0.000 0.299 939 F C 2.078 177.747 175.800 -0.219 0.000 1.103 939 F CA 2.056 59.877 58.000 -0.298 0.000 1.228 939 F CB -0.819 37.888 39.000 -0.489 0.000 0.984 939 F HN 0.247 nan 8.300 nan 0.000 0.477 940 Y N 1.202 121.255 120.300 -0.412 0.000 2.151 940 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 940 Y C 2.256 177.905 175.900 -0.419 0.000 1.166 940 Y CA 2.305 60.088 58.100 -0.527 0.000 1.163 940 Y CB -0.394 37.923 38.460 -0.240 0.000 0.974 940 Y HN 0.078 nan 8.280 nan 0.000 0.511 941 K N -0.204 119.976 120.400 -0.367 0.000 2.228 941 K HA -0.107 4.214 4.320 0.001 0.000 0.202 941 K C 2.033 178.402 176.600 -0.386 0.000 1.051 941 K CA 1.095 57.149 56.287 -0.389 0.000 0.960 941 K CB -0.045 32.364 32.500 -0.152 0.000 0.743 941 K HN 0.429 nan 8.250 nan 0.000 0.458 942 E N -0.068 119.918 120.200 -0.357 0.000 2.112 942 E HA -0.053 4.298 4.350 0.001 0.000 0.190 942 E C 1.650 178.015 176.600 -0.391 0.000 0.979 942 E CA 0.931 57.148 56.400 -0.304 0.000 0.814 942 E CB 0.336 29.913 29.700 -0.205 0.000 0.762 942 E HN 0.215 nan 8.360 nan 0.000 0.460 943 M N -1.023 118.231 119.600 -0.577 0.000 2.470 943 M HA 0.149 4.630 4.480 0.001 0.000 0.262 943 M C 1.794 177.751 176.300 -0.571 0.000 1.211 943 M CA 0.503 55.467 55.300 -0.560 0.000 1.125 943 M CB 0.252 32.479 32.600 -0.622 0.000 1.480 943 M HN 0.024 nan 8.290 nan 0.000 0.541 944 L N -0.312 120.457 121.223 -0.756 0.000 2.624 944 L HA 0.467 4.807 4.340 0.001 0.000 0.222 944 L C 1.250 177.658 176.870 -0.771 0.000 1.046 944 L CA -0.160 54.242 54.840 -0.729 0.000 0.872 944 L CB -0.352 41.264 42.059 -0.737 0.000 1.190 944 L HN 0.063 nan 8.230 nan 0.000 0.487 945 A N 0.650 122.793 122.820 -1.128 0.000 2.555 945 A HA 0.059 4.379 4.320 0.001 0.000 0.233 945 A C 1.480 178.807 177.584 -0.428 0.000 1.060 945 A CA 0.550 52.055 52.037 -0.887 0.000 0.759 945 A CB 0.399 18.863 19.000 -0.894 0.000 0.995 945 A HN 0.096 nan 8.150 nan 0.000 0.506 946 V N 1.085 120.845 119.914 -0.257 0.000 2.439 946 V HA -0.181 3.939 4.120 0.001 0.000 0.253 946 V C 1.244 177.238 176.094 -0.166 0.000 1.074 946 V CA 2.897 65.091 62.300 -0.177 0.000 1.076 946 V CB -0.606 31.144 31.823 -0.121 0.000 0.664 946 V HN 1.002 nan 8.190 nan 0.000 0.461 947 D N -0.340 119.952 120.400 -0.179 0.000 2.593 947 D HA 0.307 4.948 4.640 0.001 0.000 0.241 947 D C 0.420 176.613 176.300 -0.179 0.000 1.257 947 D CA 0.350 54.263 54.000 -0.145 0.000 0.828 947 D CB 0.040 40.775 40.800 -0.107 0.000 1.049 947 D HN 0.551 nan 8.370 nan 0.000 0.490 948 A N 2.147 124.818 122.820 -0.249 0.000 2.477 948 A HA 0.347 4.667 4.320 0.001 0.000 0.246 948 A C -1.089 176.368 177.584 -0.210 0.000 1.078 948 A CA -0.841 51.029 52.037 -0.279 0.000 0.770 948 A CB 0.556 19.319 19.000 -0.394 0.000 1.011 948 A HN 0.049 nan 8.150 nan 0.000 0.494 949 P HA -0.105 nan 4.420 nan 0.000 0.222 949 P C 0.564 177.774 177.300 -0.150 0.000 1.147 949 P CA 1.184 64.207 63.100 -0.129 0.000 0.790 949 P CB 0.195 31.837 31.700 -0.096 0.000 0.780 950 R N -0.465 119.896 120.500 -0.231 0.000 2.633 950 R HA 0.221 4.561 4.340 0.001 0.000 0.348 950 R C 0.679 176.572 176.300 -0.680 0.000 1.100 950 R CA -0.523 55.367 56.100 -0.350 0.000 1.068 950 R CB 0.244 30.410 30.300 -0.223 0.000 1.351 950 R HN 0.136 nan 8.270 nan 0.000 0.575 951 R N 1.266 121.505 120.500 -0.435 0.000 2.522 951 R HA 0.008 4.348 4.340 0.001 0.000 0.284 951 R C -0.847 175.251 176.300 -0.336 0.000 1.032 951 R CA 0.446 56.336 56.100 -0.350 0.000 1.049 951 R CB 0.298 30.488 30.300 -0.182 0.000 0.956 951 R HN 0.269 nan 8.270 nan 0.000 0.422 952 H N 3.159 122.262 119.070 0.055 0.000 2.866 952 H HA 0.236 4.792 4.556 0.001 0.000 0.287 952 H C -0.836 174.529 175.328 0.062 0.000 1.106 952 H CA -0.764 55.337 56.048 0.088 0.000 1.396 952 H CB 1.205 31.009 29.762 0.071 0.000 1.469 952 H HN 0.309 nan 8.280 nan 0.000 0.500 953 K N 3.370 123.911 120.400 0.235 0.000 2.323 953 K HA 0.553 4.873 4.320 0.001 0.000 0.259 953 K C -1.322 175.516 176.600 0.398 0.000 0.947 953 K CA -0.779 55.576 56.287 0.112 0.000 0.819 953 K CB 1.310 33.748 32.500 -0.103 0.000 1.109 953 K HN 0.338 nan 8.250 nan 0.000 0.429 954 V N 1.309 121.401 119.914 0.298 0.000 2.735 954 V HA 0.520 4.640 4.120 0.001 0.000 0.310 954 V C -0.571 175.713 176.094 0.316 0.000 1.061 954 V CA -0.969 61.561 62.300 0.383 0.000 0.913 954 V CB 1.798 33.803 31.823 0.302 0.000 1.005 954 V HN 0.734 nan 8.190 nan 0.000 0.428 955 S N 1.979 117.862 115.700 0.306 0.000 2.513 955 S HA 0.761 5.232 4.470 0.001 0.000 0.299 955 S C -0.643 174.029 174.600 0.120 0.000 1.087 955 S CA -0.604 57.756 58.200 0.267 0.000 1.012 955 S CB 2.030 65.454 63.200 0.373 0.000 1.044 955 S HN 0.561 nan 8.310 nan 0.000 0.485 956 V N 4.179 124.233 119.914 0.234 0.000 2.378 956 V HA 0.383 4.503 4.120 0.001 0.000 0.288 956 V C -1.098 175.231 176.094 0.392 0.000 1.016 956 V CA -0.702 61.751 62.300 0.255 0.000 0.840 956 V CB 1.052 33.071 31.823 0.327 0.000 0.994 956 V HN 0.792 nan 8.190 nan 0.000 0.431 957 H N 3.215 122.339 119.070 0.090 0.000 2.519 957 H HA 0.592 5.149 4.556 0.001 0.000 0.316 957 H C -0.439 174.931 175.328 0.070 0.000 1.065 957 H CA -0.742 55.332 56.048 0.043 0.000 1.264 957 H CB 1.771 31.485 29.762 -0.080 0.000 1.413 957 H HN 0.370 nan 8.280 nan 0.000 0.465 958 V N 5.907 125.958 119.914 0.228 0.000 2.378 958 V HA 0.212 4.332 4.120 0.001 0.000 0.288 958 V C 0.349 176.519 176.094 0.127 0.000 1.016 958 V CA -0.690 61.736 62.300 0.210 0.000 0.840 958 V CB 1.162 33.160 31.823 0.291 0.000 0.994 958 V HN 0.561 nan 8.190 nan 0.000 0.431 959 L N 3.842 125.122 121.223 0.095 0.000 2.395 959 L HA 0.583 4.923 4.340 0.001 0.000 0.269 959 L C 1.071 177.981 176.870 0.066 0.000 1.133 959 L CA -0.202 54.676 54.840 0.063 0.000 0.812 959 L CB 0.942 43.029 42.059 0.045 0.000 1.125 959 L HN 0.750 nan 8.230 nan 0.000 0.452 960 A N 2.788 125.639 122.820 0.052 0.000 2.507 960 A HA 0.060 4.380 4.320 0.001 0.000 0.235 960 A C 1.440 179.050 177.584 0.044 0.000 1.070 960 A CA 0.004 52.070 52.037 0.049 0.000 0.768 960 A CB 0.132 19.155 19.000 0.039 0.000 1.011 960 A HN 0.958 nan 8.150 nan 0.000 0.502 961 R N -0.057 120.469 120.500 0.043 0.000 2.159 961 R HA -0.194 4.146 4.340 0.001 0.000 0.249 961 R C 0.588 176.901 176.300 0.022 0.000 1.136 961 R CA 2.230 58.349 56.100 0.032 0.000 0.951 961 R CB -0.072 30.238 30.300 0.017 0.000 0.876 961 R HN 0.806 nan 8.270 nan 0.000 0.440 962 E N -0.239 119.971 120.200 0.016 0.000 2.479 962 E HA 0.049 4.399 4.350 0.001 0.000 0.193 962 E C 0.251 176.858 176.600 0.011 0.000 1.049 962 E CA 0.073 56.479 56.400 0.009 0.000 0.870 962 E CB 0.203 29.904 29.700 0.003 0.000 0.944 962 E HN 0.369 nan 8.360 nan 0.000 0.492 963 M N 1.185 120.796 119.600 0.017 0.000 2.238 963 M HA 0.293 4.774 4.480 0.001 0.000 0.350 963 M C -0.217 176.095 176.300 0.020 0.000 1.138 963 M CA -0.020 55.291 55.300 0.019 0.000 1.040 963 M CB 0.856 33.471 32.600 0.024 0.000 1.639 963 M HN -0.016 nan 8.290 nan 0.000 0.451 980 L N 1.893 123.142 121.223 0.043 0.000 2.333 980 L HA 0.729 5.069 4.340 0.001 0.000 0.269 980 L C 0.454 177.344 176.870 0.034 0.000 1.010 980 L CA -1.139 53.727 54.840 0.044 0.000 0.818 980 L CB 1.788 43.883 42.059 0.058 0.000 1.306 980 L HN 0.526 nan 8.230 nan 0.000 0.430 981 S N 0.358 116.075 115.700 0.029 0.000 2.592 981 S HA 0.083 4.553 4.470 0.001 0.000 0.256 981 S C -0.195 174.412 174.600 0.011 0.000 1.369 981 S CA -0.423 57.787 58.200 0.017 0.000 0.984 981 S CB 0.626 63.834 63.200 0.013 0.000 0.919 981 S HN 0.745 nan 8.310 nan 0.000 0.576 982 Q N 0.333 120.134 119.800 0.002 0.000 2.290 982 Q HA 0.550 4.890 4.340 0.001 0.000 0.259 982 Q C -0.497 175.497 176.000 -0.011 0.000 0.941 982 Q CA -0.798 55.005 55.803 0.000 0.000 0.912 982 Q CB 1.409 30.147 28.738 0.001 0.000 1.244 982 Q HN 0.917 nan 8.270 nan 0.000 0.441 983 A N 5.654 128.466 122.820 -0.013 0.000 2.388 983 A HA 0.474 4.794 4.320 0.001 0.000 0.257 983 A C -2.161 175.412 177.584 -0.018 0.000 1.095 983 A CA -1.039 50.983 52.037 -0.025 0.000 0.791 983 A CB -0.033 18.947 19.000 -0.035 0.000 1.029 983 A HN 0.603 nan 8.150 nan 0.000 0.489 984 P HA 0.365 nan 4.420 nan 0.000 0.274 984 P C -0.244 177.045 177.300 -0.019 0.000 1.237 984 P CA -0.163 62.922 63.100 -0.025 0.000 0.793 984 P CB 0.827 32.504 31.700 -0.038 0.000 0.977 985 A N 2.649 125.462 122.820 -0.011 0.000 2.477 985 A HA 0.352 4.673 4.320 0.001 0.000 0.246 985 A C 0.289 177.872 177.584 -0.002 0.000 1.078 985 A CA -0.134 51.904 52.037 0.002 0.000 0.770 985 A CB -0.638 18.364 19.000 0.004 0.000 1.011 985 A HN 0.497 nan 8.150 nan 0.000 0.494 986 L N 3.614 124.853 121.223 0.026 0.000 2.334 986 L HA 0.502 4.842 4.340 0.001 0.000 0.272 986 L C -1.580 175.363 176.870 0.121 0.000 1.020 986 L CA -1.930 52.936 54.840 0.042 0.000 0.812 986 L CB 1.180 43.277 42.059 0.063 0.000 1.264 986 L HN 0.619 nan 8.230 nan 0.000 0.439 987 P HA 0.127 nan 4.420 nan 0.000 0.275 987 P C -1.211 176.248 177.300 0.266 0.000 1.266 987 P CA -0.646 62.560 63.100 0.176 0.000 0.793 987 P CB 0.528 32.321 31.700 0.155 0.000 1.074 988 Q N 1.099 120.971 119.800 0.121 0.000 2.296 988 Q HA 0.254 4.594 4.340 0.001 0.000 0.262 988 Q C -1.828 174.148 176.000 -0.040 0.000 0.981 988 Q CA -1.312 54.508 55.803 0.029 0.000 0.905 988 Q CB -0.093 28.634 28.738 -0.019 0.000 1.186 988 Q HN 0.389 nan 8.270 nan 0.000 0.399 989 P HA 0.120 nan 4.420 nan 0.000 0.277 989 P C -0.502 176.578 177.300 -0.366 0.000 1.240 989 P CA -0.388 62.382 63.100 -0.550 0.000 0.798 989 P CB 0.971 31.929 31.700 -1.237 0.000 0.979 990 E N 1.258 121.223 120.200 -0.391 0.000 2.257 990 E HA 0.189 4.539 4.350 0.001 0.000 0.278 990 E C -0.706 175.800 176.600 -0.157 0.000 1.049 990 E CA -0.485 55.769 56.400 -0.245 0.000 0.876 990 E CB 0.471 30.010 29.700 -0.269 0.000 1.035 990 E HN 0.136 nan 8.360 nan 0.000 0.419 991 V N 6.984 126.836 119.914 -0.104 0.000 2.432 991 V HA 0.166 4.286 4.120 0.001 0.000 0.271 991 V C 0.476 176.570 176.094 0.000 0.000 1.046 991 V CA -0.346 61.894 62.300 -0.099 0.000 0.945 991 V CB 0.853 32.614 31.823 -0.103 0.000 0.992 991 V HN 0.635 nan 8.190 nan 0.000 0.471 992 I N 4.327 124.906 120.570 0.015 0.000 2.452 992 I HA 0.097 4.267 4.170 0.001 0.000 0.287 992 I C 1.135 177.300 176.117 0.079 0.000 1.079 992 I CA 0.220 61.560 61.300 0.066 0.000 1.387 992 I CB 1.175 39.144 38.000 -0.053 0.000 1.404 992 I HN 0.656 nan 8.210 nan 0.000 0.522 993 Q N 4.073 123.922 119.800 0.081 0.000 2.259 993 Q HA 0.124 4.464 4.340 0.001 0.000 0.201 993 Q C 0.202 176.259 176.000 0.095 0.000 0.938 993 Q CA 0.890 56.730 55.803 0.062 0.000 0.872 993 Q CB 0.415 29.182 28.738 0.048 0.000 0.971 993 Q HN 0.613 nan 8.270 nan 0.000 0.494 994 N N -0.773 117.986 118.700 0.099 0.000 2.454 994 N HA 0.123 4.863 4.740 0.001 0.000 0.291 994 N C 0.046 175.593 175.510 0.061 0.000 1.079 994 N CA 0.036 53.133 53.050 0.078 0.000 0.893 994 N CB 0.961 39.486 38.487 0.063 0.000 1.512 994 N HN 0.080 nan 8.380 nan 0.000 0.497 995 M N 1.090 120.684 119.600 -0.010 0.000 2.080 995 M HA -0.152 4.329 4.480 0.001 0.000 0.260 995 M C 1.584 177.907 176.300 0.038 0.000 1.068 995 M CA 1.913 57.176 55.300 -0.061 0.000 1.109 995 M CB -0.396 32.090 32.600 -0.190 0.000 1.342 995 M HN 0.536 nan 8.290 nan 0.000 0.405 996 T N 0.100 114.663 114.554 0.015 0.000 2.652 996 T HA -0.190 4.160 4.350 0.001 0.000 0.267 996 T C 1.593 176.307 174.700 0.023 0.000 1.039 996 T CA 1.651 63.758 62.100 0.010 0.000 1.153 996 T CB -0.415 68.462 68.868 0.015 0.000 0.863 996 T HN 0.470 nan 8.240 nan 0.000 0.428 997 E N 0.094 120.323 120.200 0.048 0.000 2.118 997 E HA -0.116 4.235 4.350 0.001 0.000 0.195 997 E C 1.853 178.484 176.600 0.053 0.000 0.992 997 E CA 1.012 57.439 56.400 0.046 0.000 0.804 997 E CB -0.275 29.463 29.700 0.064 0.000 0.741 997 E HN 0.544 nan 8.360 nan 0.000 0.458 998 F N 1.754 121.661 119.950 -0.071 0.000 2.146 998 F HA -0.148 4.379 4.527 0.001 0.000 0.298 998 F C 2.017 177.729 175.800 -0.147 0.000 1.096 998 F CA 1.435 59.366 58.000 -0.115 0.000 1.275 998 F CB 0.062 38.975 39.000 -0.145 0.000 1.008 998 F HN -0.229 nan 8.300 nan 0.000 0.480 999 K N 0.210 120.513 120.400 -0.161 0.000 2.002 999 K HA -0.120 4.201 4.320 0.001 0.000 0.209 999 K C 2.252 178.695 176.600 -0.263 0.000 1.048 999 K CA 1.641 57.756 56.287 -0.288 0.000 0.930 999 K CB -0.212 32.217 32.500 -0.118 0.000 0.714 999 K HN 0.160 nan 8.250 nan 0.000 0.438 1000 R N -0.639 119.769 120.500 -0.153 0.000 2.127 1000 R HA -0.099 4.241 4.340 0.001 0.000 0.238 1000 R C 2.111 178.329 176.300 -0.137 0.000 1.134 1000 R CA 1.354 57.384 56.100 -0.117 0.000 0.975 1000 R CB -0.326 29.936 30.300 -0.063 0.000 0.865 1000 R HN 0.288 nan 8.270 nan 0.000 0.447 1001 G N -0.047 108.653 108.800 -0.167 0.000 2.920 1001 G HA2 0.093 4.054 3.960 0.001 0.000 0.208 1001 G HA3 0.093 4.054 3.960 0.001 0.000 0.208 1001 G C 0.352 175.125 174.900 -0.213 0.000 1.159 1001 G CA 0.002 45.015 45.100 -0.146 0.000 0.784 1001 G HN 0.013 nan 8.290 nan 0.000 0.535 1002 L N -0.068 120.970 121.223 -0.308 0.000 2.323 1002 L HA 0.444 4.784 4.340 0.001 0.000 0.265 1002 L C -2.163 174.564 176.870 -0.238 0.000 1.012 1002 L CA -2.263 52.386 54.840 -0.318 0.000 0.820 1002 L CB 2.302 44.044 42.059 -0.529 0.000 1.334 1002 L HN -0.146 nan 8.230 nan 0.000 0.427 1003 P HA 0.304 nan 4.420 nan 0.000 0.273 1003 P C -1.217 175.964 177.300 -0.197 0.000 1.250 1003 P CA -0.316 62.668 63.100 -0.193 0.000 0.793 1003 P CB 0.546 32.114 31.700 -0.220 0.000 1.011 1004 L N 0.262 121.400 121.223 -0.141 0.000 2.334 1004 L HA 0.451 4.791 4.340 0.001 0.000 0.276 1004 L C 0.399 177.235 176.870 -0.057 0.000 1.014 1004 L CA -0.945 53.853 54.840 -0.070 0.000 0.815 1004 L CB 0.712 42.767 42.059 -0.008 0.000 1.268 1004 L HN 0.250 nan 8.230 nan 0.000 0.428 1005 F N 1.913 121.843 119.950 -0.032 0.000 2.535 1005 F HA 0.133 4.661 4.527 0.001 0.000 0.332 1005 F C -1.509 174.284 175.800 -0.011 0.000 1.208 1005 F CA -0.607 57.380 58.000 -0.021 0.000 1.330 1005 F CB 0.011 39.006 39.000 -0.008 0.000 1.167 1005 F HN 0.274 nan 8.300 nan 0.000 0.597 1006 P HA 0.034 nan 4.420 nan 0.000 0.271 1006 P C -0.850 176.515 177.300 0.109 0.000 1.244 1006 P CA -0.354 62.819 63.100 0.121 0.000 0.793 1006 P CB 0.383 32.141 31.700 0.097 0.000 0.984 1007 L N 0.701 121.955 121.223 0.052 0.000 2.395 1007 L HA 0.195 4.535 4.340 0.001 0.000 0.269 1007 L C 0.434 177.303 176.870 -0.001 0.000 1.133 1007 L CA -0.591 54.259 54.840 0.016 0.000 0.812 1007 L CB 0.231 42.283 42.059 -0.011 0.000 1.125 1007 L HN 0.104 nan 8.230 nan 0.000 0.452 1008 V N 2.553 122.450 119.914 -0.027 0.000 2.843 1008 V HA 0.003 4.124 4.120 0.001 0.000 0.305 1008 V C 0.563 176.638 176.094 -0.032 0.000 1.065 1008 V CA -0.460 61.819 62.300 -0.036 0.000 1.116 1008 V CB 0.673 32.457 31.823 -0.065 0.000 0.968 1008 V HN 0.615 nan 8.190 nan 0.000 0.487 1009 K N 5.426 125.812 120.400 -0.022 0.000 2.368 1009 K HA 0.274 4.595 4.320 0.001 0.000 0.282 1009 K C -2.208 174.393 176.600 0.002 0.000 1.035 1009 K CA -0.995 55.283 56.287 -0.014 0.000 0.973 1009 K CB 0.110 32.598 32.500 -0.020 0.000 0.957 1009 K HN 0.417 nan 8.250 nan 0.000 0.474 1010 P HA -0.152 nan 4.420 nan 0.000 0.271 1010 P C -0.617 176.743 177.300 0.099 0.000 1.212 1010 P CA 0.285 63.464 63.100 0.132 0.000 0.788 1010 P CB 0.361 32.157 31.700 0.161 0.000 0.865 1011 H N 0.702 119.789 119.070 0.029 0.000 2.525 1011 H HA 0.603 5.159 4.556 0.001 0.000 0.339 1011 H C 0.204 175.525 175.328 -0.013 0.000 1.109 1011 H CA 0.245 56.276 56.048 -0.028 0.000 1.352 1011 H CB 0.520 30.233 29.762 -0.081 0.000 1.461 1011 H HN 0.299 nan 8.280 nan 0.000 0.533 1012 I N 0.000 120.345 120.570 -0.374 0.000 2.984 1012 I HA 0.000 4.170 4.170 0.001 0.000 0.288 1012 I CA 0.000 nan 61.300 nan 0.000 1.566 1012 I CB 0.000 nan 38.000 nan 0.000 1.214 1012 I HN 0.000 nan 8.210 nan 0.000 0.494