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 3n57_1_A 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 LFPLVKPH 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 0.000 175.517 175.510 0.011 0.000 1.280 44 N CA 0.000 53.057 53.050 0.012 0.000 0.885 44 N CB 0.000 38.496 38.487 0.015 0.000 1.341 45 P HA 0.199 nan 4.420 nan 0.000 0.235 45 P C 0.679 177.987 177.300 0.013 0.000 1.177 45 P CA 0.303 63.410 63.100 0.011 0.000 0.785 45 P CB 0.406 32.112 31.700 0.009 0.000 0.885 46 A N -0.089 122.742 122.820 0.017 0.000 2.169 46 A HA 0.176 4.496 4.320 0.001 0.000 0.212 46 A C 1.188 178.786 177.584 0.023 0.000 1.153 46 A CA 0.200 52.251 52.037 0.023 0.000 0.756 46 A CB -0.535 18.482 19.000 0.029 0.000 0.813 46 A HN 0.184 nan 8.150 nan 0.000 0.471 47 I N -0.319 120.262 120.570 0.019 0.000 2.362 47 I HA 0.200 4.371 4.170 0.001 0.000 0.289 47 I C 1.023 177.147 176.117 0.011 0.000 0.994 47 I CA -0.421 60.889 61.300 0.016 0.000 1.158 47 I CB 1.936 39.946 38.000 0.017 0.000 1.315 47 I HN 0.198 nan 8.210 nan 0.000 0.451 48 K N 5.705 126.110 120.400 0.009 0.000 2.098 48 K HA 0.063 4.383 4.320 0.001 0.000 0.203 48 K C 0.694 177.298 176.600 0.006 0.000 1.051 48 K CA 0.798 57.089 56.287 0.006 0.000 0.957 48 K CB 0.401 32.903 32.500 0.003 0.000 0.738 48 K HN 0.619 nan 8.250 nan 0.000 0.447 49 R N 0.315 120.819 120.500 0.006 0.000 2.651 49 R HA 0.411 4.752 4.340 0.001 0.000 0.278 49 R C -1.792 174.514 176.300 0.009 0.000 1.010 49 R CA -0.631 55.473 56.100 0.007 0.000 0.896 49 R CB 1.180 31.483 30.300 0.006 0.000 1.211 49 R HN 0.099 nan 8.270 nan 0.000 0.456 50 I N 2.673 123.250 120.570 0.012 0.000 2.468 50 I HA 0.539 4.709 4.170 0.001 0.000 0.285 50 I C -0.212 175.917 176.117 0.020 0.000 1.039 50 I CA -1.094 60.215 61.300 0.015 0.000 1.074 50 I CB 2.444 40.453 38.000 0.014 0.000 1.228 50 I HN 0.818 nan 8.210 nan 0.000 0.436 51 G N 4.245 113.062 108.800 0.028 0.000 2.502 51 G HA2 0.258 4.219 3.960 0.001 0.000 0.311 51 G HA3 0.258 4.219 3.960 0.001 0.000 0.311 51 G C -0.867 174.068 174.900 0.058 0.000 1.270 51 G CA -0.525 44.599 45.100 0.040 0.000 0.948 51 G HN 0.706 nan 8.290 nan 0.000 0.487 52 N N 2.241 120.977 118.700 0.059 0.000 2.699 52 N HA 0.305 5.045 4.740 0.001 0.000 0.232 52 N C -0.923 174.686 175.510 0.165 0.000 1.027 52 N CA -0.281 52.817 53.050 0.081 0.000 0.920 52 N CB 0.382 38.889 38.487 0.034 0.000 1.148 52 N HN 0.732 nan 8.380 nan 0.000 0.509 53 H N 1.958 121.050 119.070 0.037 0.000 2.915 53 H HA 0.215 4.771 4.556 0.001 0.000 0.263 53 H C -1.567 173.781 175.328 0.033 0.000 1.373 53 H CA -0.755 55.312 56.048 0.031 0.000 1.354 53 H CB 1.109 30.884 29.762 0.022 0.000 1.866 53 H HN 0.261 nan 8.280 nan 0.000 0.479 54 I N 2.384 122.986 120.570 0.054 0.000 2.586 54 I HA 0.063 4.233 4.170 0.001 0.000 0.288 54 I C 0.299 176.345 176.117 -0.118 0.000 1.147 54 I CA -0.455 60.816 61.300 -0.049 0.000 1.047 54 I CB 1.154 39.116 38.000 -0.064 0.000 1.244 54 I HN 0.548 nan 8.210 nan 0.000 0.429 55 T N 7.216 121.672 114.554 -0.163 0.000 2.738 55 T HA 0.098 4.448 4.350 0.001 0.000 0.277 55 T C 0.434 175.077 174.700 -0.094 0.000 0.981 55 T CA 0.570 62.574 62.100 -0.160 0.000 1.211 55 T CB -0.128 68.654 68.868 -0.143 0.000 0.932 55 T HN 0.694 nan 8.240 nan 0.000 0.522 56 K N 1.569 121.936 120.400 -0.056 0.000 2.331 56 K HA 0.735 5.056 4.320 0.001 0.000 0.238 56 K C -0.114 176.481 176.600 -0.008 0.000 1.058 56 K CA -1.039 55.235 56.287 -0.022 0.000 0.871 56 K CB 1.139 33.579 32.500 -0.099 0.000 1.292 56 K HN 0.273 nan 8.250 nan 0.000 0.470 57 S N 0.280 115.816 115.700 -0.273 0.000 2.565 57 S HA 0.183 4.654 4.470 0.001 0.000 0.276 57 S C -1.716 172.730 174.600 -0.257 0.000 1.326 57 S CA -1.397 56.500 58.200 -0.506 0.000 1.045 57 S CB 0.459 63.071 63.200 -0.980 0.000 0.918 57 S HN 0.503 nan 8.310 nan 0.000 0.505 58 P HA -0.083 nan 4.420 nan 0.000 0.218 58 P C 0.799 178.028 177.300 -0.118 0.000 1.146 58 P CA 1.060 64.074 63.100 -0.144 0.000 0.813 58 P CB 0.129 31.733 31.700 -0.160 0.000 0.778 59 E N -1.100 119.003 120.200 -0.162 0.000 2.385 59 E HA -0.025 4.325 4.350 0.001 0.000 0.194 59 E C 0.377 176.942 176.600 -0.059 0.000 1.013 59 E CA 0.354 56.705 56.400 -0.081 0.000 0.866 59 E CB -0.485 29.177 29.700 -0.064 0.000 0.832 59 E HN 0.268 nan 8.360 nan 0.000 0.500 60 D N 1.738 122.083 120.400 -0.092 0.000 2.346 60 D HA -0.014 4.626 4.640 0.001 0.000 0.260 60 D C 0.849 177.163 176.300 0.023 0.000 1.252 60 D CA 0.121 54.102 54.000 -0.031 0.000 0.895 60 D CB 0.690 41.483 40.800 -0.012 0.000 1.097 60 D HN -0.256 nan 8.370 nan 0.000 0.489 61 K N 3.039 123.448 120.400 0.016 0.000 2.361 61 K HA 0.058 4.379 4.320 0.001 0.000 0.196 61 K C 0.677 177.270 176.600 -0.012 0.000 1.039 61 K CA 0.099 56.391 56.287 0.009 0.000 1.001 61 K CB 0.306 32.810 32.500 0.007 0.000 0.795 61 K HN 0.404 nan 8.250 nan 0.000 0.495 62 R N 1.152 121.634 120.500 -0.030 0.000 2.738 62 R HA 0.106 4.447 4.340 0.001 0.000 0.268 62 R C 0.065 176.229 176.300 -0.227 0.000 1.062 62 R CA 0.327 56.330 56.100 -0.162 0.000 1.158 62 R CB 0.454 30.601 30.300 -0.255 0.000 1.046 62 R HN 0.051 nan 8.270 nan 0.000 0.493 63 E N 0.421 120.407 120.200 -0.357 0.000 2.227 63 E HA 0.327 4.677 4.350 0.001 0.000 0.268 63 E C -1.444 174.917 176.600 -0.398 0.000 0.907 63 E CA -0.603 55.659 56.400 -0.231 0.000 0.786 63 E CB 1.606 31.259 29.700 -0.079 0.000 1.191 63 E HN 0.355 nan 8.360 nan 0.000 0.411 64 Y N 0.600 120.918 120.300 0.030 0.000 2.477 64 Y HA 0.476 5.026 4.550 0.001 0.000 0.347 64 Y C -0.291 175.624 175.900 0.026 0.000 0.981 64 Y CA -0.952 57.163 58.100 0.025 0.000 1.033 64 Y CB 2.095 40.571 38.460 0.026 0.000 1.245 64 Y HN 0.302 nan 8.280 nan 0.000 0.455 65 R N 1.417 122.014 120.500 0.161 0.000 2.515 65 R HA 0.659 4.999 4.340 0.001 0.000 0.291 65 R C -0.760 175.585 176.300 0.075 0.000 1.046 65 R CA -0.610 55.550 56.100 0.101 0.000 0.914 65 R CB 1.345 31.681 30.300 0.059 0.000 1.191 65 R HN 0.919 nan 8.270 nan 0.000 0.435 66 G N 3.101 111.937 108.800 0.061 0.000 2.425 66 G HA2 0.574 4.534 3.960 0.001 0.000 0.302 66 G HA3 0.574 4.534 3.960 0.001 0.000 0.302 66 G C -1.404 173.506 174.900 0.016 0.000 1.159 66 G CA -0.346 44.772 45.100 0.029 0.000 0.865 66 G HN 0.341 nan 8.290 nan 0.000 0.515 67 L N -0.217 121.004 121.223 -0.003 0.000 2.466 67 L HA 0.514 4.855 4.340 0.001 0.000 0.258 67 L C -0.519 176.340 176.870 -0.019 0.000 0.973 67 L CA -0.746 54.090 54.840 -0.006 0.000 0.826 67 L CB 2.636 44.691 42.059 -0.007 0.000 1.372 67 L HN 0.679 nan 8.230 nan 0.000 0.409 68 E N 2.034 122.227 120.200 -0.011 0.000 2.220 68 E HA 0.478 4.828 4.350 0.001 0.000 0.256 68 E C -1.229 175.367 176.600 -0.007 0.000 0.881 68 E CA -0.709 55.682 56.400 -0.016 0.000 0.766 68 E CB 1.277 30.970 29.700 -0.011 0.000 1.187 68 E HN 0.374 nan 8.360 nan 0.000 0.419 69 L N 2.687 123.906 121.223 -0.007 0.000 2.475 69 L HA 0.260 4.600 4.340 0.001 0.000 0.250 69 L C 1.461 178.336 176.870 0.009 0.000 1.224 69 L CA 0.872 55.717 54.840 0.008 0.000 0.821 69 L CB 0.615 42.686 42.059 0.019 0.000 1.141 69 L HN 0.810 nan 8.230 nan 0.000 0.494 70 A N 1.101 123.930 122.820 0.015 0.000 1.969 70 A HA -0.152 4.169 4.320 0.001 0.000 0.218 70 A C 1.523 179.113 177.584 0.011 0.000 1.169 70 A CA 1.423 53.467 52.037 0.012 0.000 0.635 70 A CB -0.821 18.187 19.000 0.015 0.000 0.810 70 A HN 0.899 nan 8.150 nan 0.000 0.445 71 N N -1.149 117.561 118.700 0.017 0.000 2.515 71 N HA 0.208 4.948 4.740 0.001 0.000 0.185 71 N C 1.032 176.546 175.510 0.007 0.000 1.109 71 N CA 1.482 54.542 53.050 0.016 0.000 0.903 71 N CB -0.288 38.217 38.487 0.030 0.000 0.969 71 N HN 0.801 nan 8.380 nan 0.000 0.450 72 G N -0.465 108.337 108.800 0.002 0.000 2.192 72 G HA2 -0.190 3.770 3.960 0.001 0.000 0.193 72 G HA3 -0.190 3.770 3.960 0.001 0.000 0.193 72 G C -0.238 174.652 174.900 -0.016 0.000 0.999 72 G CA -0.108 44.988 45.100 -0.007 0.000 0.659 72 G HN 0.316 nan 8.290 nan 0.000 0.503 73 I N 1.907 122.466 120.570 -0.019 0.000 2.452 73 I HA 0.196 4.367 4.170 0.001 0.000 0.287 73 I C 0.627 176.702 176.117 -0.070 0.000 1.079 73 I CA 0.102 61.373 61.300 -0.050 0.000 1.387 73 I CB 0.742 38.710 38.000 -0.054 0.000 1.404 73 I HN 0.000 nan 8.210 nan 0.000 0.522 74 K N 5.946 126.285 120.400 -0.101 0.000 2.258 74 K HA 0.543 4.863 4.320 0.001 0.000 0.284 74 K C -0.933 175.584 176.600 -0.137 0.000 1.051 74 K CA -0.480 55.741 56.287 -0.111 0.000 0.923 74 K CB 1.530 33.948 32.500 -0.136 0.000 1.046 74 K HN 0.320 nan 8.250 nan 0.000 0.474 75 V N 3.985 123.836 119.914 -0.104 0.000 2.735 75 V HA 0.414 4.534 4.120 0.001 0.000 0.310 75 V C -1.028 175.023 176.094 -0.072 0.000 1.061 75 V CA -1.077 61.156 62.300 -0.111 0.000 0.913 75 V CB 1.765 33.529 31.823 -0.099 0.000 1.005 75 V HN 0.558 nan 8.190 nan 0.000 0.428 76 L N 5.070 126.248 121.223 -0.074 0.000 2.362 76 L HA 0.726 5.067 4.340 0.001 0.000 0.275 76 L C -1.063 175.796 176.870 -0.018 0.000 0.998 76 L CA -0.068 54.757 54.840 -0.025 0.000 0.820 76 L CB 1.616 43.660 42.059 -0.025 0.000 1.270 76 L HN 0.582 nan 8.230 nan 0.000 0.415 77 L N 5.947 127.181 121.223 0.019 0.000 2.329 77 L HA 0.604 4.944 4.340 0.001 0.000 0.279 77 L C -0.843 176.024 176.870 -0.006 0.000 1.014 77 L CA -0.497 54.343 54.840 -0.000 0.000 0.814 77 L CB 1.744 43.803 42.059 -0.001 0.000 1.257 77 L HN 0.471 nan 8.230 nan 0.000 0.424 78 I N 1.694 122.225 120.570 -0.065 0.000 2.382 78 I HA 0.267 4.438 4.170 0.001 0.000 0.286 78 I C -0.039 175.974 176.117 -0.174 0.000 1.002 78 I CA -0.103 61.073 61.300 -0.207 0.000 1.135 78 I CB 1.942 39.866 38.000 -0.125 0.000 1.288 78 I HN 0.491 nan 8.210 nan 0.000 0.448 79 S N 4.511 120.077 115.700 -0.224 0.000 2.420 79 S HA 0.308 4.779 4.470 0.001 0.000 0.313 79 S C -0.807 173.703 174.600 -0.150 0.000 1.079 79 S CA -0.405 57.713 58.200 -0.138 0.000 1.104 79 S CB 0.224 63.365 63.200 -0.099 0.000 0.969 79 S HN 0.566 nan 8.310 nan 0.000 0.471 80 D N 5.637 125.975 120.400 -0.104 0.000 2.375 80 D HA 0.395 5.036 4.640 0.001 0.000 0.259 80 D C -2.106 174.147 176.300 -0.079 0.000 1.235 80 D CA -2.091 51.854 54.000 -0.092 0.000 0.924 80 D CB 1.713 42.465 40.800 -0.080 0.000 1.143 80 D HN 0.190 nan 8.370 nan 0.000 0.529 81 P HA -0.078 nan 4.420 nan 0.000 0.229 81 P C 1.111 178.345 177.300 -0.111 0.000 1.150 81 P CA 1.132 64.185 63.100 -0.079 0.000 0.765 81 P CB 0.247 31.912 31.700 -0.058 0.000 0.783 82 T N -6.204 108.289 114.554 -0.102 0.000 2.990 82 T HA 0.046 4.396 4.350 0.001 0.000 0.250 82 T C 0.754 175.379 174.700 -0.125 0.000 1.041 82 T CA -0.035 62.001 62.100 -0.107 0.000 1.010 82 T CB -1.145 67.685 68.868 -0.063 0.000 1.003 82 T HN 0.060 nan 8.240 nan 0.000 0.499 83 T N 1.882 116.368 114.554 -0.113 0.000 2.946 83 T HA 0.173 4.524 4.350 0.001 0.000 0.311 83 T C 0.076 174.704 174.700 -0.119 0.000 1.063 83 T CA 0.013 62.067 62.100 -0.076 0.000 1.139 83 T CB 0.797 69.647 68.868 -0.029 0.000 0.994 83 T HN 0.231 nan 8.240 nan 0.000 0.547 84 D N 0.418 120.812 120.400 -0.010 0.000 2.346 84 D HA 0.118 4.759 4.640 0.001 0.000 0.206 84 D C 0.344 176.772 176.300 0.214 0.000 1.001 84 D CA 0.468 54.539 54.000 0.118 0.000 0.871 84 D CB 0.275 41.137 40.800 0.104 0.000 0.943 84 D HN 0.483 nan 8.370 nan 0.000 0.518 85 K N 0.551 121.027 120.400 0.126 0.000 2.413 85 K HA 0.489 4.810 4.320 0.001 0.000 0.257 85 K C -0.841 175.821 176.600 0.104 0.000 0.946 85 K CA -0.461 55.902 56.287 0.127 0.000 0.823 85 K CB 2.330 34.884 32.500 0.090 0.000 1.109 85 K HN -0.114 nan 8.250 nan 0.000 0.427 86 S N 0.795 116.573 115.700 0.130 0.000 2.652 86 S HA 0.506 4.976 4.470 0.001 0.000 0.270 86 S C -0.307 174.298 174.600 0.007 0.000 1.243 86 S CA -0.620 57.628 58.200 0.080 0.000 0.999 86 S CB 1.356 64.630 63.200 0.124 0.000 0.973 86 S HN 0.716 nan 8.310 nan 0.000 0.544 87 S N -0.302 115.317 115.700 -0.136 0.000 2.615 87 S HA 0.839 5.310 4.470 0.001 0.000 0.269 87 S C -1.431 172.795 174.600 -0.624 0.000 1.161 87 S CA -0.475 57.449 58.200 -0.460 0.000 0.817 87 S CB 1.213 64.249 63.200 -0.274 0.000 1.131 87 S HN 1.214 nan 8.310 nan 0.000 0.467 88 A N 0.469 122.602 122.820 -1.144 0.000 2.587 88 A HA 1.018 5.338 4.320 0.001 0.000 0.293 88 A C -0.652 176.587 177.584 -0.575 0.000 1.087 88 A CA -0.416 51.190 52.037 -0.718 0.000 0.692 88 A CB 1.066 19.752 19.000 -0.523 0.000 1.291 88 A HN 2.230 nan 8.150 nan 0.000 0.407 89 A N 0.237 122.927 122.820 -0.217 0.000 2.572 89 A HA 0.803 5.124 4.320 0.001 0.000 0.295 89 A C -1.672 176.023 177.584 0.185 0.000 1.072 89 A CA -0.351 51.730 52.037 0.073 0.000 0.691 89 A CB 1.369 20.446 19.000 0.128 0.000 1.291 89 A HN 1.766 nan 8.150 nan 0.000 0.404 90 L N 1.630 123.108 121.223 0.426 0.000 2.409 90 L HA 0.529 4.870 4.340 0.001 0.000 0.272 90 L C -1.369 175.658 176.870 0.261 0.000 0.980 90 L CA -0.419 54.541 54.840 0.201 0.000 0.826 90 L CB 1.600 43.632 42.059 -0.045 0.000 1.268 90 L HN 0.827 nan 8.230 nan 0.000 0.407 91 D N 4.139 124.633 120.400 0.157 0.000 2.308 91 D HA 0.383 5.024 4.640 0.001 0.000 0.242 91 D C -1.268 175.179 176.300 0.246 0.000 1.059 91 D CA -0.313 53.825 54.000 0.230 0.000 0.830 91 D CB 2.345 43.300 40.800 0.258 0.000 1.161 91 D HN 0.253 nan 8.370 nan 0.000 0.494 92 V N 4.336 124.333 119.914 0.138 0.000 2.398 92 V HA 0.081 4.201 4.120 0.001 0.000 0.286 92 V C 0.885 176.923 176.094 -0.093 0.000 1.026 92 V CA -0.778 61.501 62.300 -0.034 0.000 0.868 92 V CB 1.335 32.981 31.823 -0.296 0.000 0.982 92 V HN 0.608 nan 8.190 nan 0.000 0.443 93 H N 5.329 124.196 119.070 -0.338 0.000 3.109 93 H HA 0.335 4.891 4.556 0.001 0.000 0.298 93 H C -0.494 174.602 175.328 -0.386 0.000 1.248 93 H CA 0.083 55.772 56.048 -0.599 0.000 1.204 93 H CB -0.237 29.062 29.762 -0.773 0.000 1.367 93 H HN 0.292 nan 8.280 nan 0.000 0.592 94 I N 0.105 120.624 120.570 -0.085 0.000 2.569 94 I HA 0.327 4.497 4.170 0.001 0.000 0.290 94 I C 0.746 176.913 176.117 0.084 0.000 1.088 94 I CA -0.407 60.876 61.300 -0.027 0.000 1.047 94 I CB 2.004 39.963 38.000 -0.069 0.000 1.237 94 I HN 0.329 nan 8.210 nan 0.000 0.421 95 G N 2.614 111.480 108.800 0.111 0.000 3.166 95 G HA2 0.356 4.316 3.960 0.001 0.000 0.267 95 G HA3 0.356 4.316 3.960 0.001 0.000 0.267 95 G C 0.676 175.673 174.900 0.162 0.000 1.256 95 G CA 0.437 45.634 45.100 0.161 0.000 0.859 95 G HN 0.510 nan 8.290 nan 0.000 0.590 96 S N -0.839 114.935 115.700 0.123 0.000 2.447 96 S HA -0.042 4.429 4.470 0.001 0.000 0.233 96 S C 2.107 176.749 174.600 0.070 0.000 1.006 96 S CA 0.844 59.082 58.200 0.063 0.000 0.957 96 S CB -0.174 63.038 63.200 0.021 0.000 0.773 96 S HN 0.212 nan 8.310 nan 0.000 0.507 97 L N 1.913 123.193 121.223 0.095 0.000 2.549 97 L HA 0.187 4.528 4.340 0.001 0.000 0.230 97 L C 1.686 178.668 176.870 0.188 0.000 1.162 97 L CA 0.949 55.849 54.840 0.101 0.000 0.834 97 L CB -0.779 41.275 42.059 -0.008 0.000 0.947 97 L HN 0.326 nan 8.230 nan 0.000 0.452 98 S N -1.786 114.010 115.700 0.161 0.000 2.593 98 S HA 0.150 4.621 4.470 0.001 0.000 0.236 98 S C 0.090 174.837 174.600 0.245 0.000 0.991 98 S CA -0.584 57.700 58.200 0.140 0.000 0.963 98 S CB 0.016 63.150 63.200 -0.109 0.000 0.865 98 S HN 0.263 nan 8.310 nan 0.000 0.488 99 D N 3.964 124.454 120.400 0.151 0.000 2.424 99 D HA 0.199 4.840 4.640 0.001 0.000 0.244 99 D C -2.499 173.878 176.300 0.128 0.000 1.134 99 D CA -1.451 52.592 54.000 0.072 0.000 0.881 99 D CB 0.376 41.147 40.800 -0.048 0.000 1.191 99 D HN 0.060 nan 8.370 nan 0.000 0.445 100 P HA -0.011 nan 4.420 nan 0.000 0.261 100 P C -1.861 175.494 177.300 0.092 0.000 1.173 100 P CA -0.770 62.410 63.100 0.134 0.000 0.760 100 P CB 0.137 31.906 31.700 0.115 0.000 0.783 101 P HA -0.183 nan 4.420 nan 0.000 0.218 101 P C 0.859 178.220 177.300 0.102 0.000 1.146 101 P CA 1.495 64.658 63.100 0.104 0.000 0.813 101 P CB -0.191 31.570 31.700 0.103 0.000 0.778 102 N N -0.703 118.046 118.700 0.081 0.000 2.280 102 N HA 0.027 4.767 4.740 0.001 0.000 0.192 102 N C 0.104 175.638 175.510 0.039 0.000 1.109 102 N CA 0.208 53.300 53.050 0.069 0.000 0.855 102 N CB -0.086 38.433 38.487 0.053 0.000 0.974 102 N HN 0.195 nan 8.380 nan 0.000 0.482 103 I N 0.835 121.420 120.570 0.025 0.000 2.796 103 I HA 0.352 4.522 4.170 0.001 0.000 0.279 103 I C -0.148 175.931 176.117 -0.063 0.000 1.289 103 I CA -0.923 60.364 61.300 -0.023 0.000 1.021 103 I CB 1.209 39.189 38.000 -0.032 0.000 1.414 103 I HN -0.033 nan 8.210 nan 0.000 0.562 104 A N 2.905 125.685 122.820 -0.066 0.000 2.540 104 A HA 0.446 4.766 4.320 0.001 0.000 0.239 104 A C 1.444 178.851 177.584 -0.295 0.000 1.061 104 A CA 0.990 52.920 52.037 -0.179 0.000 0.758 104 A CB -0.166 18.706 19.000 -0.214 0.000 0.991 104 A HN 1.307 nan 8.150 nan 0.000 0.502 105 G N 1.031 109.628 108.800 -0.338 0.000 2.143 105 G HA2 -0.226 3.734 3.960 0.001 0.000 0.248 105 G HA3 -0.226 3.734 3.960 0.001 0.000 0.248 105 G C 0.687 175.485 174.900 -0.170 0.000 0.991 105 G CA 0.396 45.305 45.100 -0.318 0.000 0.689 105 G HN 0.873 nan 8.290 nan 0.000 0.522 106 L N 0.947 122.049 121.223 -0.202 0.000 2.005 106 L HA -0.125 4.215 4.340 0.001 0.000 0.207 106 L C 3.190 179.883 176.870 -0.295 0.000 1.072 106 L CA 2.824 57.525 54.840 -0.233 0.000 0.744 106 L CB -0.737 41.085 42.059 -0.395 0.000 0.895 106 L HN 0.644 nan 8.230 nan 0.000 0.433 107 S N -1.559 113.877 115.700 -0.439 0.000 2.380 107 S HA -0.357 4.113 4.470 0.001 0.000 0.229 107 S C 1.989 176.640 174.600 0.084 0.000 1.043 107 S CA 1.802 59.885 58.200 -0.195 0.000 1.038 107 S CB -1.113 62.069 63.200 -0.030 0.000 0.872 107 S HN 0.624 nan 8.310 nan 0.000 0.456 108 H N -0.182 118.869 119.070 -0.031 0.000 2.321 108 H HA -0.102 4.454 4.556 0.001 0.000 0.300 108 H C 2.077 177.450 175.328 0.075 0.000 1.087 108 H CA 1.672 57.730 56.048 0.015 0.000 1.319 108 H CB -0.354 29.342 29.762 -0.111 0.000 1.379 108 H HN 0.449 nan 8.280 nan 0.000 0.501 109 F N 1.822 121.606 119.950 -0.276 0.000 2.095 109 F HA -0.221 4.307 4.527 0.001 0.000 0.298 109 F C 2.489 178.252 175.800 -0.061 0.000 1.104 109 F CA 1.292 59.129 58.000 -0.273 0.000 1.232 109 F CB -0.984 37.889 39.000 -0.211 0.000 0.987 109 F HN 0.274 nan 8.300 nan 0.000 0.475 110 L N 0.856 122.078 121.223 -0.000 0.000 2.042 110 L HA -0.220 4.121 4.340 0.001 0.000 0.210 110 L C 2.339 179.328 176.870 0.199 0.000 1.076 110 L CA 2.183 57.051 54.840 0.045 0.000 0.749 110 L CB -1.663 40.419 42.059 0.039 0.000 0.893 110 L HN 0.412 nan 8.230 nan 0.000 0.432 111 Q N -0.837 119.137 119.800 0.291 0.000 2.096 111 Q HA -0.268 4.073 4.340 0.001 0.000 0.204 111 Q C 2.228 178.532 176.000 0.507 0.000 0.982 111 Q CA 2.249 58.317 55.803 0.443 0.000 0.850 111 Q CB -0.394 28.557 28.738 0.355 0.000 0.901 111 Q HN 0.761 nan 8.270 nan 0.000 0.422 112 H N -0.938 118.233 119.070 0.169 0.000 2.353 112 H HA -0.089 4.467 4.556 0.001 0.000 0.300 112 H C 2.156 177.586 175.328 0.171 0.000 1.090 112 H CA 1.131 57.288 56.048 0.182 0.000 1.327 112 H CB 0.225 30.043 29.762 0.094 0.000 1.383 112 H HN 0.295 nan 8.280 nan 0.000 0.508 113 M N 0.561 120.236 119.600 0.126 0.000 2.229 113 M HA -0.110 4.371 4.480 0.001 0.000 0.264 113 M C 2.303 178.419 176.300 -0.307 0.000 1.063 113 M CA 0.914 56.169 55.300 -0.075 0.000 1.114 113 M CB -0.754 31.810 32.600 -0.060 0.000 1.387 113 M HN 0.281 nan 8.290 nan 0.000 0.420 114 L N -1.424 119.563 121.223 -0.393 0.000 2.353 114 L HA -0.173 4.167 4.340 0.001 0.000 0.220 114 L C 1.905 177.808 176.870 -1.612 0.000 1.133 114 L CA 0.821 55.042 54.840 -1.031 0.000 0.798 114 L CB -0.704 40.764 42.059 -0.985 0.000 0.922 114 L HN 0.145 nan 8.230 nan 0.000 0.445 115 F N -0.909 118.582 119.950 -0.765 0.000 2.615 115 F HA -0.056 4.471 4.527 0.001 0.000 0.297 115 F C 1.521 177.130 175.800 -0.319 0.000 1.124 115 F CA 0.402 58.108 58.000 -0.489 0.000 1.451 115 F CB 0.104 39.084 39.000 -0.034 0.000 1.103 115 F HN -0.016 nan 8.300 nan 0.000 0.569 116 L N -0.227 120.878 121.223 -0.196 0.000 2.728 116 L HA 0.438 4.779 4.340 0.001 0.000 0.235 116 L C 0.567 177.334 176.870 -0.171 0.000 1.197 116 L CA -0.190 54.589 54.840 -0.102 0.000 0.992 116 L CB -0.419 41.601 42.059 -0.064 0.000 1.263 116 L HN 0.092 nan 8.230 nan 0.000 0.484 117 G N -1.796 106.844 108.800 -0.267 0.000 2.453 117 G HA2 0.187 4.148 3.960 0.001 0.000 0.665 117 G HA3 0.187 4.148 3.960 0.001 0.000 0.665 117 G C -0.782 173.936 174.900 -0.304 0.000 1.411 117 G CA -0.643 44.334 45.100 -0.205 0.000 0.889 117 G HN -0.090 nan 8.290 nan 0.000 0.651 118 T N 0.141 114.585 114.554 -0.184 0.000 2.841 118 T HA 0.544 4.895 4.350 0.001 0.000 0.296 118 T C 1.363 175.984 174.700 -0.132 0.000 1.166 118 T CA -0.532 61.453 62.100 -0.192 0.000 1.007 118 T CB 1.973 70.779 68.868 -0.103 0.000 1.253 118 T HN 0.527 nan 8.240 nan 0.000 0.511 119 K N 0.696 121.010 120.400 -0.145 0.000 1.984 119 K HA -0.038 4.283 4.320 0.001 0.000 0.209 119 K C 2.044 178.546 176.600 -0.163 0.000 1.046 119 K CA 1.305 57.512 56.287 -0.133 0.000 0.934 119 K CB -0.131 32.296 32.500 -0.122 0.000 0.717 119 K HN 0.369 nan 8.250 nan 0.000 0.438 120 K N -0.075 120.197 120.400 -0.213 0.000 2.152 120 K HA -0.150 4.171 4.320 0.001 0.000 0.206 120 K C -0.161 176.048 176.600 -0.651 0.000 1.048 120 K CA 1.378 57.401 56.287 -0.439 0.000 0.933 120 K CB 0.104 32.304 32.500 -0.500 0.000 0.721 120 K HN 0.086 nan 8.250 nan 0.000 0.447 121 Y N -0.548 119.705 120.300 -0.079 0.000 2.681 121 Y HA 0.254 4.804 4.550 0.001 0.000 0.347 121 Y C -2.138 173.723 175.900 -0.065 0.000 1.029 121 Y CA -2.318 55.747 58.100 -0.059 0.000 1.279 121 Y CB 1.736 40.168 38.460 -0.046 0.000 1.096 121 Y HN 0.063 nan 8.280 nan 0.000 0.580 122 P HA -0.036 nan 4.420 nan 0.000 0.245 122 P C 0.185 177.494 177.300 0.014 0.000 1.203 122 P CA 0.262 63.357 63.100 -0.008 0.000 0.792 122 P CB 0.485 32.165 31.700 -0.034 0.000 0.997 123 K N 1.616 122.049 120.400 0.054 0.000 2.436 123 K HA -0.062 4.259 4.320 0.001 0.000 0.282 123 K C 1.296 177.932 176.600 0.060 0.000 1.044 123 K CA 0.101 56.423 56.287 0.058 0.000 1.028 123 K CB 0.248 32.796 32.500 0.080 0.000 0.919 123 K HN -0.071 nan 8.250 nan 0.000 0.474 124 E N 2.939 123.166 120.200 0.044 0.000 2.086 124 E HA -0.272 4.078 4.350 0.001 0.000 0.200 124 E C 0.765 177.414 176.600 0.082 0.000 1.012 124 E CA 1.747 58.170 56.400 0.039 0.000 0.812 124 E CB 0.094 29.816 29.700 0.036 0.000 0.743 124 E HN 0.756 nan 8.360 nan 0.000 0.453 125 N N 0.229 118.994 118.700 0.108 0.000 2.279 125 N HA -0.068 4.672 4.740 0.001 0.000 0.226 125 N C 1.019 176.624 175.510 0.158 0.000 1.126 125 N CA 0.331 53.472 53.050 0.151 0.000 0.846 125 N CB 0.581 39.152 38.487 0.141 0.000 1.050 125 N HN 0.088 nan 8.380 nan 0.000 0.502 126 E N 0.858 121.145 120.200 0.145 0.000 2.097 126 E HA -0.275 4.076 4.350 0.001 0.000 0.196 126 E C 1.442 178.130 176.600 0.147 0.000 1.000 126 E CA 1.280 57.759 56.400 0.131 0.000 0.804 126 E CB -0.488 29.283 29.700 0.119 0.000 0.740 126 E HN 0.485 nan 8.360 nan 0.000 0.454 127 Y N 0.689 121.027 120.300 0.063 0.000 2.089 127 Y HA -0.185 4.365 4.550 0.001 0.000 0.282 127 Y C 2.458 178.449 175.900 0.152 0.000 1.139 127 Y CA 2.292 60.444 58.100 0.088 0.000 1.123 127 Y CB -0.599 37.989 38.460 0.214 0.000 0.980 127 Y HN 0.089 nan 8.280 nan 0.000 0.493 128 S N 0.159 115.979 115.700 0.200 0.000 2.368 128 S HA -0.314 4.157 4.470 0.001 0.000 0.225 128 S C 1.975 176.583 174.600 0.014 0.000 1.030 128 S CA 1.534 59.773 58.200 0.065 0.000 0.999 128 S CB -0.607 62.661 63.200 0.114 0.000 0.844 128 S HN 0.643 nan 8.310 nan 0.000 0.459 129 Q N 0.281 120.123 119.800 0.070 0.000 2.050 129 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 129 Q C 1.936 177.958 176.000 0.036 0.000 0.980 129 Q CA 1.495 57.332 55.803 0.057 0.000 0.840 129 Q CB -0.319 28.469 28.738 0.083 0.000 0.898 129 Q HN 0.529 nan 8.270 nan 0.000 0.424 130 F N 0.753 120.652 119.950 -0.086 0.000 2.095 130 F HA -0.221 4.307 4.527 0.001 0.000 0.298 130 F C 1.707 177.468 175.800 -0.065 0.000 1.104 130 F CA 1.546 59.493 58.000 -0.088 0.000 1.232 130 F CB -0.128 38.744 39.000 -0.214 0.000 0.987 130 F HN 0.083 nan 8.300 nan 0.000 0.475 131 L N -0.965 120.221 121.223 -0.060 0.000 2.056 131 L HA -0.211 4.130 4.340 0.001 0.000 0.207 131 L C 2.736 179.533 176.870 -0.121 0.000 1.078 131 L CA 1.461 56.224 54.840 -0.128 0.000 0.749 131 L CB -1.015 40.937 42.059 -0.179 0.000 0.901 131 L HN 0.200 nan 8.230 nan 0.000 0.433 132 S N -0.124 115.516 115.700 -0.101 0.000 2.382 132 S HA -0.191 4.280 4.470 0.001 0.000 0.228 132 S C 1.698 176.226 174.600 -0.121 0.000 1.027 132 S CA 1.344 59.496 58.200 -0.079 0.000 0.991 132 S CB -0.120 63.059 63.200 -0.035 0.000 0.823 132 S HN 0.462 nan 8.310 nan 0.000 0.469 133 E N -0.886 119.172 120.200 -0.238 0.000 2.502 133 E HA 0.005 4.356 4.350 0.001 0.000 0.194 133 E C 0.028 176.157 176.600 -0.786 0.000 1.062 133 E CA 0.402 56.505 56.400 -0.495 0.000 0.867 133 E CB 0.102 29.444 29.700 -0.596 0.000 0.888 133 E HN 0.670 nan 8.360 nan 0.000 0.510 134 H N -0.693 118.113 119.070 -0.439 0.000 2.637 134 H HA 0.400 4.957 4.556 0.001 0.000 0.245 134 H C -0.021 175.187 175.328 -0.200 0.000 1.190 134 H CA 0.271 56.068 56.048 -0.418 0.000 0.934 134 H CB 1.095 30.424 29.762 -0.723 0.000 1.950 134 H HN 0.125 nan 8.280 nan 0.000 0.614 135 A N 0.110 122.880 122.820 -0.084 0.000 2.872 135 A HA -0.130 4.191 4.320 0.001 0.000 0.273 135 A C 1.070 178.663 177.584 0.014 0.000 1.442 135 A CA 0.856 52.877 52.037 -0.027 0.000 0.801 135 A CB -1.756 17.240 19.000 -0.007 0.000 1.031 135 A HN 0.642 nan 8.150 nan 0.000 0.582 136 G N -1.438 107.365 108.800 0.005 0.000 2.552 136 G HA2 0.905 4.865 3.960 0.001 0.000 0.324 136 G HA3 0.905 4.865 3.960 0.001 0.000 0.324 136 G C -0.200 174.725 174.900 0.041 0.000 1.217 136 G CA 0.312 45.445 45.100 0.056 0.000 0.989 136 G HN 2.025 nan 8.290 nan 0.000 0.490 137 S N -1.642 114.118 115.700 0.101 0.000 2.550 137 S HA 0.782 5.253 4.470 0.001 0.000 0.270 137 S C -0.974 173.743 174.600 0.196 0.000 1.145 137 S CA -0.566 57.689 58.200 0.092 0.000 0.852 137 S CB 1.906 65.157 63.200 0.084 0.000 1.119 137 S HN 0.991 nan 8.310 nan 0.000 0.465 138 S N 0.867 116.678 115.700 0.186 0.000 2.569 138 S HA 0.783 5.253 4.470 0.001 0.000 0.280 138 S C -1.160 173.553 174.600 0.189 0.000 1.111 138 S CA -0.639 57.758 58.200 0.328 0.000 0.887 138 S CB 1.455 64.999 63.200 0.573 0.000 1.095 138 S HN 0.933 nan 8.310 nan 0.000 0.476 139 N N -0.115 118.612 118.700 0.045 0.000 3.227 139 N HA 0.668 5.409 4.740 0.001 0.000 0.241 139 N C -2.071 173.139 175.510 -0.500 0.000 1.480 139 N CA -0.527 52.425 53.050 -0.164 0.000 0.886 139 N CB 1.636 40.138 38.487 0.026 0.000 1.406 139 N HN 0.792 nan 8.380 nan 0.000 0.514 140 A N 0.568 123.300 122.820 -0.147 0.000 2.612 140 A HA 0.729 5.049 4.320 0.001 0.000 0.293 140 A C -1.917 175.813 177.584 0.242 0.000 1.075 140 A CA -0.541 51.466 52.037 -0.050 0.000 0.680 140 A CB 0.767 19.793 19.000 0.044 0.000 1.279 140 A HN 0.598 nan 8.150 nan 0.000 0.411 141 F N -0.938 119.092 119.950 0.134 0.000 2.613 141 F HA 0.875 5.403 4.527 0.001 0.000 0.310 141 F C -0.529 175.381 175.800 0.184 0.000 1.085 141 F CA -0.666 57.458 58.000 0.206 0.000 0.945 141 F CB 1.737 40.880 39.000 0.237 0.000 1.298 141 F HN 0.391 nan 8.300 nan 0.000 0.455 142 T N 1.905 116.670 114.554 0.351 0.000 2.807 142 T HA 0.609 4.959 4.350 0.001 0.000 0.279 142 T C -0.453 174.450 174.700 0.338 0.000 0.993 142 T CA -0.557 61.692 62.100 0.248 0.000 0.970 142 T CB 1.355 70.405 68.868 0.304 0.000 0.950 142 T HN 0.954 nan 8.240 nan 0.000 0.441 143 S N 1.670 117.550 115.700 0.301 0.000 2.823 143 S HA 0.733 5.203 4.470 0.001 0.000 0.316 143 S C 1.732 176.470 174.600 0.231 0.000 1.116 143 S CA -0.127 58.263 58.200 0.317 0.000 0.911 143 S CB 0.893 64.348 63.200 0.424 0.000 1.276 143 S HN 0.686 nan 8.310 nan 0.000 0.565 144 G N 0.444 109.376 108.800 0.221 0.000 2.440 144 G HA2 -0.078 3.882 3.960 0.001 0.000 0.218 144 G HA3 -0.078 3.882 3.960 0.001 0.000 0.218 144 G C 0.796 175.777 174.900 0.134 0.000 1.154 144 G CA 1.149 46.346 45.100 0.161 0.000 0.767 144 G HN 0.919 nan 8.290 nan 0.000 0.552 145 E N -0.999 119.290 120.200 0.148 0.000 2.876 145 E HA 0.298 4.648 4.350 0.001 0.000 0.208 145 E C -0.782 175.677 176.600 -0.235 0.000 0.981 145 E CA -0.447 55.987 56.400 0.057 0.000 1.174 145 E CB 0.334 30.121 29.700 0.146 0.000 1.047 145 E HN 0.507 nan 8.360 nan 0.000 0.477 146 H N 0.010 119.129 119.070 0.082 0.000 2.894 146 H HA 0.426 4.982 4.556 0.001 0.000 0.367 146 H C -1.157 174.155 175.328 -0.026 0.000 1.144 146 H CA -0.595 55.441 56.048 -0.019 0.000 1.180 146 H CB 2.321 32.058 29.762 -0.042 0.000 1.758 146 H HN -0.087 nan 8.280 nan 0.000 0.541 147 T N 2.615 117.219 114.554 0.083 0.000 2.890 147 T HA 0.264 4.614 4.350 0.001 0.000 0.295 147 T C -0.672 174.017 174.700 -0.017 0.000 0.993 147 T CA -0.930 61.181 62.100 0.018 0.000 0.979 147 T CB 0.595 69.618 68.868 0.258 0.000 0.967 147 T HN 0.477 nan 8.240 nan 0.000 0.441 148 N N 2.790 121.269 118.700 -0.368 0.000 2.372 148 N HA 0.388 5.129 4.740 0.001 0.000 0.285 148 N C -1.645 173.816 175.510 -0.083 0.000 1.008 148 N CA -0.369 52.576 53.050 -0.176 0.000 0.880 148 N CB 1.464 39.652 38.487 -0.499 0.000 1.239 148 N HN 0.541 nan 8.380 nan 0.000 0.484 149 Y N 2.809 123.323 120.300 0.357 0.000 2.409 149 Y HA 0.417 4.968 4.550 0.001 0.000 0.343 149 Y C -0.519 175.707 175.900 0.543 0.000 0.973 149 Y CA -0.928 57.433 58.100 0.435 0.000 1.064 149 Y CB 1.416 40.226 38.460 0.583 0.000 1.207 149 Y HN 0.388 nan 8.280 nan 0.000 0.452 150 Y N 1.096 121.753 120.300 0.596 0.000 2.597 150 Y HA 0.814 5.364 4.550 0.001 0.000 0.340 150 Y C -1.577 174.532 175.900 0.348 0.000 1.097 150 Y CA -2.496 55.777 58.100 0.289 0.000 1.037 150 Y CB 1.425 39.993 38.460 0.181 0.000 1.305 150 Y HN 0.473 nan 8.280 nan 0.000 0.463 151 F N -0.139 119.941 119.950 0.216 0.000 2.645 151 F HA 0.840 5.367 4.527 0.001 0.000 0.310 151 F C -1.878 173.989 175.800 0.111 0.000 1.102 151 F CA -1.088 57.012 58.000 0.166 0.000 0.952 151 F CB 1.889 40.935 39.000 0.077 0.000 1.326 151 F HN 0.610 nan 8.300 nan 0.000 0.456 152 D N 0.801 121.373 120.400 0.286 0.000 2.477 152 D HA 0.751 5.392 4.640 0.001 0.000 0.234 152 D C -1.585 174.934 176.300 0.364 0.000 1.048 152 D CA -1.047 53.072 54.000 0.198 0.000 0.959 152 D CB 2.184 43.042 40.800 0.096 0.000 1.408 152 D HN 0.818 nan 8.370 nan 0.000 0.496 153 V N -0.423 119.665 119.914 0.290 0.000 3.225 153 V HA 0.470 4.590 4.120 0.001 0.000 0.293 153 V C -0.738 175.465 176.094 0.181 0.000 1.405 153 V CA -0.702 61.737 62.300 0.233 0.000 1.038 153 V CB 1.996 33.985 31.823 0.276 0.000 1.123 153 V HN 0.908 nan 8.190 nan 0.000 0.447 154 S N 2.415 118.202 115.700 0.144 0.000 2.810 154 S HA -0.080 4.391 4.470 0.001 0.000 0.329 154 S C 1.356 175.997 174.600 0.068 0.000 1.231 154 S CA 1.170 59.437 58.200 0.111 0.000 1.042 154 S CB -0.036 63.244 63.200 0.134 0.000 0.756 154 S HN 1.445 nan 8.310 nan 0.000 0.504 155 H N 2.846 121.957 119.070 0.068 0.000 2.460 155 H HA -0.066 4.490 4.556 0.001 0.000 0.297 155 H C 1.555 176.882 175.328 -0.001 0.000 1.103 155 H CA 1.999 58.070 56.048 0.039 0.000 1.292 155 H CB -0.178 29.594 29.762 0.016 0.000 1.376 155 H HN 0.777 nan 8.280 nan 0.000 0.531 156 E N 0.206 120.022 120.200 -0.641 0.000 2.268 156 E HA -0.138 4.212 4.350 0.001 0.000 0.195 156 E C 0.547 176.850 176.600 -0.497 0.000 0.995 156 E CA 0.807 56.855 56.400 -0.587 0.000 0.836 156 E CB 0.045 29.288 29.700 -0.761 0.000 0.763 156 E HN 0.816 nan 8.360 nan 0.000 0.491 157 H N -0.052 118.989 119.070 -0.049 0.000 2.467 157 H HA 0.144 4.701 4.556 0.001 0.000 0.275 157 H C 1.634 177.013 175.328 0.085 0.000 1.131 157 H CA -0.172 55.873 56.048 -0.004 0.000 0.989 157 H CB 0.405 30.085 29.762 -0.136 0.000 1.696 157 H HN 0.127 nan 8.280 nan 0.000 0.574 158 L N 0.363 121.683 121.223 0.161 0.000 2.012 158 L HA -0.188 4.152 4.340 0.001 0.000 0.210 158 L C 2.376 179.352 176.870 0.177 0.000 1.073 158 L CA 1.745 56.709 54.840 0.208 0.000 0.748 158 L CB -0.003 42.155 42.059 0.164 0.000 0.891 158 L HN 0.361 nan 8.230 nan 0.000 0.431 159 E N -0.671 119.601 120.200 0.119 0.000 2.047 159 E HA -0.186 4.164 4.350 0.001 0.000 0.191 159 E C 1.985 178.597 176.600 0.019 0.000 0.987 159 E CA 1.098 57.548 56.400 0.085 0.000 0.799 159 E CB -0.157 29.583 29.700 0.067 0.000 0.752 159 E HN 0.600 nan 8.360 nan 0.000 0.449 160 G N 0.771 109.574 108.800 0.005 0.000 2.440 160 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 160 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 160 G C 1.618 176.191 174.900 -0.545 0.000 1.154 160 G CA 1.093 46.061 45.100 -0.220 0.000 0.767 160 G HN 0.409 nan 8.290 nan 0.000 0.552 161 A N 0.190 122.835 122.820 -0.291 0.000 1.897 161 A HA 0.223 4.543 4.320 0.001 0.000 0.215 161 A C 2.374 179.699 177.584 -0.432 0.000 1.181 161 A CA 1.069 52.829 52.037 -0.461 0.000 0.620 161 A CB -0.412 18.388 19.000 -0.332 0.000 0.821 161 A HN 0.336 nan 8.150 nan 0.000 0.443 162 L N -0.480 120.696 121.223 -0.077 0.000 2.083 162 L HA -0.204 4.136 4.340 0.001 0.000 0.209 162 L C 2.288 179.243 176.870 0.141 0.000 1.083 162 L CA 2.210 57.176 54.840 0.209 0.000 0.752 162 L CB -0.385 41.878 42.059 0.341 0.000 0.899 162 L HN 0.517 nan 8.230 nan 0.000 0.433 163 D N -0.127 120.268 120.400 -0.008 0.000 2.084 163 D HA -0.217 4.424 4.640 0.001 0.000 0.194 163 D C 2.241 178.521 176.300 -0.034 0.000 0.990 163 D CA 1.417 55.403 54.000 -0.023 0.000 0.826 163 D CB 0.103 40.896 40.800 -0.011 0.000 0.971 163 D HN 0.125 nan 8.370 nan 0.000 0.453 164 R N -0.951 119.408 120.500 -0.234 0.000 2.159 164 R HA -0.111 4.229 4.340 0.001 0.000 0.237 164 R C 2.179 178.415 176.300 -0.106 0.000 1.131 164 R CA 0.927 56.843 56.100 -0.307 0.000 0.982 164 R CB -0.436 29.513 30.300 -0.585 0.000 0.868 164 R HN 0.315 nan 8.270 nan 0.000 0.453 165 F N 1.231 121.008 119.950 -0.288 0.000 2.187 165 F HA 0.055 4.582 4.527 0.001 0.000 0.295 165 F C 2.316 177.981 175.800 -0.224 0.000 1.091 165 F CA 0.962 58.661 58.000 -0.501 0.000 1.308 165 F CB -0.275 38.636 39.000 -0.148 0.000 1.030 165 F HN -0.061 nan 8.300 nan 0.000 0.487 166 A N -0.057 122.769 122.820 0.010 0.000 1.940 166 A HA -0.258 4.063 4.320 0.001 0.000 0.219 166 A C 2.007 179.552 177.584 -0.065 0.000 1.176 166 A CA 1.834 53.788 52.037 -0.139 0.000 0.631 166 A CB -0.865 17.780 19.000 -0.591 0.000 0.814 166 A HN 0.492 nan 8.150 nan 0.000 0.446 167 Q N -1.181 118.569 119.800 -0.083 0.000 2.234 167 Q HA -0.107 4.233 4.340 0.001 0.000 0.206 167 Q C 1.469 177.383 176.000 -0.142 0.000 0.980 167 Q CA 1.152 56.922 55.803 -0.055 0.000 0.869 167 Q CB -0.592 28.171 28.738 0.042 0.000 0.912 167 Q HN 0.669 nan 8.270 nan 0.000 0.436 168 F N -1.354 118.168 119.950 -0.714 0.000 2.287 168 F HA -0.176 4.351 4.527 0.001 0.000 0.301 168 F C 1.052 176.270 175.800 -0.970 0.000 1.069 168 F CA 0.887 58.213 58.000 -1.123 0.000 1.372 168 F CB -0.292 37.550 39.000 -1.929 0.000 1.056 168 F HN 0.103 nan 8.300 nan 0.000 0.523 169 F N -2.211 117.744 119.950 0.008 0.000 2.682 169 F HA 0.247 4.775 4.527 0.001 0.000 0.308 169 F C 1.479 177.367 175.800 0.146 0.000 1.093 169 F CA 0.024 58.114 58.000 0.151 0.000 1.244 169 F CB -0.361 38.686 39.000 0.077 0.000 1.052 169 F HN -0.188 nan 8.300 nan 0.000 0.573 170 L N -1.667 119.639 121.223 0.140 0.000 2.590 170 L HA 0.248 4.588 4.340 0.001 0.000 0.181 170 L C 0.635 177.511 176.870 0.010 0.000 1.134 170 L CA 0.454 55.344 54.840 0.085 0.000 0.850 170 L CB -0.098 41.970 42.059 0.015 0.000 1.172 170 L HN -0.258 nan 8.230 nan 0.000 0.498 171 S N 0.781 116.416 115.700 -0.108 0.000 2.300 171 S HA 0.294 4.764 4.470 0.001 0.000 0.172 171 S C -2.548 171.861 174.600 -0.318 0.000 1.484 171 S CA -0.818 57.279 58.200 -0.171 0.000 1.265 171 S CB 0.571 63.698 63.200 -0.122 0.000 1.313 171 S HN 0.023 nan 8.310 nan 0.000 0.387 172 P HA 0.129 nan 4.420 nan 0.000 0.267 172 P C 0.641 177.545 177.300 -0.659 0.000 1.205 172 P CA -0.451 62.163 63.100 -0.810 0.000 0.765 172 P CB 0.825 31.703 31.700 -1.371 0.000 0.828 173 L N 4.182 125.077 121.223 -0.547 0.000 1.994 173 L HA -0.019 4.322 4.340 0.001 0.000 0.208 173 L C 1.010 177.753 176.870 -0.213 0.000 1.071 173 L CA 1.366 56.019 54.840 -0.311 0.000 0.745 173 L CB -1.556 40.364 42.059 -0.232 0.000 0.892 173 L HN 0.330 nan 8.230 nan 0.000 0.431 174 F N 0.307 120.114 119.950 -0.238 0.000 2.969 174 F HA -0.243 4.285 4.527 0.001 0.000 0.273 174 F C 0.784 176.491 175.800 -0.155 0.000 0.986 174 F CA 0.316 58.182 58.000 -0.223 0.000 0.926 174 F CB -2.247 36.615 39.000 -0.230 0.000 0.887 174 F HN 0.257 nan 8.300 nan 0.000 0.816 175 D N 1.139 121.523 120.400 -0.027 0.000 2.583 175 D HA -0.087 4.553 4.640 0.001 0.000 0.232 175 D C 1.412 177.719 176.300 0.012 0.000 1.128 175 D CA 0.640 54.631 54.000 -0.015 0.000 0.859 175 D CB 0.877 41.658 40.800 -0.032 0.000 1.169 175 D HN 0.532 nan 8.370 nan 0.000 0.481 176 E N 2.318 122.526 120.200 0.013 0.000 2.058 176 E HA -0.219 4.132 4.350 0.001 0.000 0.194 176 E C 1.942 178.559 176.600 0.027 0.000 0.997 176 E CA 2.179 58.591 56.400 0.019 0.000 0.801 176 E CB -0.237 29.470 29.700 0.012 0.000 0.746 176 E HN 0.482 nan 8.360 nan 0.000 0.450 177 S N -0.500 115.213 115.700 0.022 0.000 2.428 177 S HA 0.058 4.529 4.470 0.001 0.000 0.230 177 S C 2.156 176.778 174.600 0.037 0.000 1.014 177 S CA 0.883 59.099 58.200 0.028 0.000 0.957 177 S CB -0.250 62.963 63.200 0.021 0.000 0.784 177 S HN 0.352 nan 8.310 nan 0.000 0.499 178 A N 2.263 125.100 122.820 0.029 0.000 1.930 178 A HA -0.001 4.320 4.320 0.001 0.000 0.217 178 A C 2.226 179.847 177.584 0.062 0.000 1.175 178 A CA 1.565 53.623 52.037 0.034 0.000 0.627 178 A CB -0.702 18.301 19.000 0.005 0.000 0.815 178 A HN 0.639 nan 8.150 nan 0.000 0.443 179 K N -0.428 120.008 120.400 0.060 0.000 2.097 179 K HA -0.195 4.126 4.320 0.001 0.000 0.205 179 K C 0.942 177.668 176.600 0.211 0.000 1.050 179 K CA 1.687 58.042 56.287 0.112 0.000 0.938 179 K CB -0.208 32.328 32.500 0.059 0.000 0.718 179 K HN 0.312 nan 8.250 nan 0.000 0.442 180 D N 0.275 120.750 120.400 0.125 0.000 2.224 180 D HA -0.070 4.571 4.640 0.001 0.000 0.205 180 D C 1.960 178.317 176.300 0.094 0.000 0.965 180 D CA 0.868 54.929 54.000 0.102 0.000 0.852 180 D CB 0.127 40.965 40.800 0.062 0.000 0.947 180 D HN 0.205 nan 8.370 nan 0.000 0.494 181 R N 0.095 120.652 120.500 0.095 0.000 2.057 181 R HA -0.004 4.336 4.340 0.001 0.000 0.224 181 R C 1.954 178.322 176.300 0.112 0.000 1.136 181 R CA 0.753 56.901 56.100 0.081 0.000 0.968 181 R CB -0.057 30.279 30.300 0.059 0.000 0.863 181 R HN -0.057 nan 8.270 nan 0.000 0.433 182 E N 0.391 120.691 120.200 0.167 0.000 2.409 182 E HA -0.100 4.250 4.350 0.001 0.000 0.198 182 E C 1.470 178.250 176.600 0.300 0.000 1.024 182 E CA 0.643 57.188 56.400 0.243 0.000 0.861 182 E CB 0.110 29.967 29.700 0.263 0.000 0.788 182 E HN 0.156 nan 8.360 nan 0.000 0.521 183 V N 0.846 120.895 119.914 0.224 0.000 2.407 183 V HA -0.277 3.844 4.120 0.001 0.000 0.248 183 V C 1.866 177.921 176.094 -0.064 0.000 1.055 183 V CA 1.911 64.157 62.300 -0.089 0.000 1.049 183 V CB -0.714 31.018 31.823 -0.151 0.000 0.662 183 V HN 0.337 nan 8.190 nan 0.000 0.455 184 N N 1.001 119.715 118.700 0.024 0.000 2.244 184 N HA -0.097 4.643 4.740 0.001 0.000 0.183 184 N C 1.993 177.543 175.510 0.067 0.000 1.016 184 N CA 1.605 54.673 53.050 0.031 0.000 0.866 184 N CB -0.262 38.250 38.487 0.042 0.000 0.980 184 N HN 0.552 nan 8.380 nan 0.000 0.430 185 A N 1.298 124.193 122.820 0.125 0.000 1.858 185 A HA -0.095 4.225 4.320 0.001 0.000 0.216 185 A C 2.587 180.293 177.584 0.204 0.000 1.190 185 A CA 1.368 53.548 52.037 0.238 0.000 0.617 185 A CB -0.882 18.316 19.000 0.330 0.000 0.827 185 A HN 0.086 nan 8.150 nan 0.000 0.443 186 V N 0.478 120.426 119.914 0.057 0.000 2.287 186 V HA -0.294 3.827 4.120 0.001 0.000 0.248 186 V C 2.351 178.398 176.094 -0.077 0.000 1.053 186 V CA 2.595 64.826 62.300 -0.116 0.000 1.027 186 V CB -0.928 30.695 31.823 -0.334 0.000 0.646 186 V HN 0.731 nan 8.190 nan 0.000 0.447 187 D N -0.488 119.876 120.400 -0.060 0.000 2.123 187 D HA -0.191 4.449 4.640 0.001 0.000 0.196 187 D C 2.375 178.684 176.300 0.015 0.000 0.992 187 D CA 1.645 55.642 54.000 -0.004 0.000 0.833 187 D CB -0.138 40.661 40.800 -0.002 0.000 0.954 187 D HN 0.304 nan 8.370 nan 0.000 0.455 188 S N -0.769 114.939 115.700 0.012 0.000 2.368 188 S HA -0.198 4.272 4.470 0.001 0.000 0.225 188 S C 1.804 176.349 174.600 -0.091 0.000 1.030 188 S CA 1.334 59.544 58.200 0.016 0.000 0.999 188 S CB -0.336 62.931 63.200 0.112 0.000 0.844 188 S HN 0.356 nan 8.310 nan 0.000 0.459 189 E N -0.498 119.554 120.200 -0.246 0.000 2.051 189 E HA -0.243 4.107 4.350 0.001 0.000 0.192 189 E C 1.974 178.378 176.600 -0.328 0.000 0.991 189 E CA 1.382 57.451 56.400 -0.552 0.000 0.799 189 E CB -0.247 29.027 29.700 -0.711 0.000 0.748 189 E HN 0.675 nan 8.360 nan 0.000 0.449 190 H N 0.676 119.578 119.070 -0.281 0.000 2.387 190 H HA -0.071 4.486 4.556 0.001 0.000 0.299 190 H C 1.974 177.190 175.328 -0.186 0.000 1.090 190 H CA 1.827 57.736 56.048 -0.233 0.000 1.332 190 H CB 0.100 29.801 29.762 -0.101 0.000 1.386 190 H HN 0.134 nan 8.280 nan 0.000 0.516 191 E N 0.682 120.742 120.200 -0.234 0.000 2.077 191 E HA -0.179 4.172 4.350 0.001 0.000 0.193 191 E C 2.160 178.667 176.600 -0.156 0.000 0.989 191 E CA 1.412 57.678 56.400 -0.224 0.000 0.800 191 E CB -0.141 29.510 29.700 -0.081 0.000 0.746 191 E HN 0.738 nan 8.360 nan 0.000 0.452 192 K N 0.362 120.693 120.400 -0.114 0.000 2.360 192 K HA -0.108 4.212 4.320 0.001 0.000 0.201 192 K C 1.293 177.864 176.600 -0.048 0.000 1.046 192 K CA 1.253 57.522 56.287 -0.031 0.000 0.945 192 K CB 0.034 32.521 32.500 -0.022 0.000 0.750 192 K HN -0.068 nan 8.250 nan 0.000 0.464 193 N N 0.635 119.210 118.700 -0.208 0.000 2.409 193 N HA -0.020 4.720 4.740 0.001 0.000 0.174 193 N C 1.735 177.249 175.510 0.007 0.000 1.037 193 N CA 0.616 53.531 53.050 -0.226 0.000 0.898 193 N CB 0.077 38.212 38.487 -0.586 0.000 1.010 193 N HN -0.019 nan 8.380 nan 0.000 0.445 194 V N 1.388 121.206 119.914 -0.161 0.000 2.278 194 V HA -0.212 3.908 4.120 0.001 0.000 0.251 194 V C 1.829 177.977 176.094 0.091 0.000 1.062 194 V CA 1.385 63.634 62.300 -0.084 0.000 1.038 194 V CB -0.321 31.328 31.823 -0.289 0.000 0.646 194 V HN 0.313 nan 8.190 nan 0.000 0.447 195 M N 0.128 119.705 119.600 -0.038 0.000 2.505 195 M HA 0.202 4.683 4.480 0.001 0.000 0.230 195 M C 0.587 176.886 176.300 -0.003 0.000 1.153 195 M CA 0.053 55.274 55.300 -0.131 0.000 0.997 195 M CB -1.195 31.066 32.600 -0.566 0.000 1.606 195 M HN 0.369 nan 8.290 nan 0.000 0.481 196 N N 1.663 120.442 118.700 0.132 0.000 2.422 196 N HA 0.063 4.803 4.740 0.001 0.000 0.266 196 N C 0.213 175.819 175.510 0.161 0.000 1.007 196 N CA 0.137 53.301 53.050 0.190 0.000 0.941 196 N CB 1.218 39.885 38.487 0.299 0.000 1.115 196 N HN 0.091 nan 8.380 nan 0.000 0.492 197 D N 3.002 123.463 120.400 0.102 0.000 2.178 197 D HA -0.142 4.498 4.640 0.001 0.000 0.201 197 D C 1.337 177.645 176.300 0.012 0.000 0.980 197 D CA 1.112 55.144 54.000 0.053 0.000 0.842 197 D CB 0.203 41.037 40.800 0.055 0.000 0.948 197 D HN 0.714 nan 8.370 nan 0.000 0.472 198 A N 0.459 123.289 122.820 0.017 0.000 1.898 198 A HA -0.147 4.173 4.320 0.001 0.000 0.216 198 A C 2.013 179.501 177.584 -0.160 0.000 1.181 198 A CA 0.913 52.891 52.037 -0.099 0.000 0.620 198 A CB -1.049 17.858 19.000 -0.155 0.000 0.819 198 A HN 0.241 nan 8.150 nan 0.000 0.442 199 W N 0.470 121.700 121.300 -0.117 0.000 2.381 199 W HA -0.090 4.570 4.660 0.001 0.000 0.301 199 W C 2.615 178.836 176.519 -0.497 0.000 1.205 199 W CA 1.341 58.572 57.345 -0.189 0.000 1.285 199 W CB -0.142 29.278 29.460 -0.066 0.000 1.133 199 W HN 0.287 nan 8.180 nan 0.000 0.521 200 R N -0.409 119.897 120.500 -0.324 0.000 2.081 200 R HA -0.158 4.183 4.340 0.001 0.000 0.235 200 R C 1.905 178.020 176.300 -0.307 0.000 1.131 200 R CA 1.072 56.882 56.100 -0.484 0.000 0.960 200 R CB -1.372 28.833 30.300 -0.159 0.000 0.856 200 R HN 0.189 nan 8.270 nan 0.000 0.436 201 L N 0.727 121.817 121.223 -0.221 0.000 2.046 201 L HA -0.124 4.217 4.340 0.001 0.000 0.208 201 L C 2.311 179.023 176.870 -0.264 0.000 1.077 201 L CA 1.363 56.041 54.840 -0.270 0.000 0.747 201 L CB -1.088 40.779 42.059 -0.320 0.000 0.896 201 L HN 0.048 nan 8.230 nan 0.000 0.432 202 F N 0.384 120.125 119.950 -0.348 0.000 2.065 202 F HA -0.324 4.203 4.527 0.001 0.000 0.298 202 F C 2.690 178.335 175.800 -0.258 0.000 1.112 202 F CA 2.158 59.969 58.000 -0.314 0.000 1.212 202 F CB -0.207 38.588 39.000 -0.343 0.000 0.975 202 F HN 0.158 nan 8.300 nan 0.000 0.476 203 Q N 0.173 119.859 119.800 -0.191 0.000 2.245 203 Q HA -0.076 4.265 4.340 0.001 0.000 0.201 203 Q C 2.157 178.024 176.000 -0.223 0.000 0.955 203 Q CA 1.097 56.789 55.803 -0.185 0.000 0.870 203 Q CB -0.446 28.348 28.738 0.093 0.000 0.945 203 Q HN 0.574 nan 8.270 nan 0.000 0.461 204 L N 0.296 121.358 121.223 -0.269 0.000 2.093 204 L HA -0.166 4.174 4.340 0.001 0.000 0.208 204 L C 2.000 178.649 176.870 -0.368 0.000 1.085 204 L CA 1.885 56.529 54.840 -0.326 0.000 0.755 204 L CB -0.415 41.410 42.059 -0.391 0.000 0.904 204 L HN 0.439 nan 8.230 nan 0.000 0.435 205 E N -0.000 119.984 120.200 -0.360 0.000 2.058 205 E HA -0.256 4.094 4.350 0.001 0.000 0.194 205 E C 2.114 178.664 176.600 -0.083 0.000 0.997 205 E CA 1.449 57.708 56.400 -0.235 0.000 0.801 205 E CB 0.146 29.718 29.700 -0.212 0.000 0.746 205 E HN 0.467 nan 8.360 nan 0.000 0.450 206 K N -0.049 120.153 120.400 -0.331 0.000 2.057 206 K HA -0.119 4.202 4.320 0.001 0.000 0.207 206 K C 2.140 178.682 176.600 -0.097 0.000 1.049 206 K CA 1.078 57.127 56.287 -0.395 0.000 0.931 206 K CB -0.184 31.921 32.500 -0.659 0.000 0.714 206 K HN 0.094 nan 8.250 nan 0.000 0.440 207 A N 1.619 124.394 122.820 -0.077 0.000 2.178 207 A HA -0.102 4.218 4.320 0.001 0.000 0.218 207 A C 1.973 179.594 177.584 0.061 0.000 1.157 207 A CA 1.797 53.844 52.037 0.018 0.000 0.689 207 A CB -0.631 18.375 19.000 0.009 0.000 0.787 207 A HN 0.497 nan 8.150 nan 0.000 0.465 208 T N -4.387 110.188 114.554 0.037 0.000 3.044 208 T HA 0.471 4.821 4.350 0.001 0.000 0.260 208 T C 0.799 175.668 174.700 0.281 0.000 1.019 208 T CA 0.381 62.551 62.100 0.117 0.000 0.921 208 T CB 0.365 69.123 68.868 -0.184 0.000 1.053 208 T HN 0.372 nan 8.240 nan 0.000 0.533 209 G N 1.136 110.110 108.800 0.290 0.000 2.753 209 G HA2 0.449 4.410 3.960 0.001 0.000 0.285 209 G HA3 0.449 4.410 3.960 0.001 0.000 0.285 209 G C -0.622 174.194 174.900 -0.141 0.000 1.344 209 G CA -1.021 44.127 45.100 0.081 0.000 1.050 209 G HN 0.227 nan 8.290 nan 0.000 0.532 210 N N 0.572 119.041 118.700 -0.385 0.000 2.315 210 N HA 0.032 4.773 4.740 0.001 0.000 0.270 210 N C -1.397 174.190 175.510 0.128 0.000 1.329 210 N CA -1.140 51.916 53.050 0.010 0.000 0.860 210 N CB 1.308 39.840 38.487 0.074 0.000 1.095 210 N HN -0.045 nan 8.380 nan 0.000 0.487 211 P HA -0.080 nan 4.420 nan 0.000 0.223 211 P C 0.736 178.129 177.300 0.155 0.000 1.151 211 P CA 1.067 64.261 63.100 0.158 0.000 0.787 211 P CB 0.324 32.115 31.700 0.152 0.000 0.788 212 K N -1.794 118.699 120.400 0.156 0.000 2.365 212 K HA -0.059 4.262 4.320 0.001 0.000 0.199 212 K C 0.905 177.587 176.600 0.137 0.000 1.045 212 K CA 0.499 56.867 56.287 0.134 0.000 0.962 212 K CB -0.719 31.852 32.500 0.119 0.000 0.759 212 K HN 0.369 nan 8.250 nan 0.000 0.469 213 H N 1.971 121.087 119.070 0.076 0.000 2.683 213 H HA 0.055 4.611 4.556 0.001 0.000 0.339 213 H C -1.857 173.537 175.328 0.110 0.000 1.081 213 H CA -1.678 54.412 56.048 0.070 0.000 1.432 213 H CB 1.604 31.356 29.762 -0.017 0.000 1.462 213 H HN -0.210 nan 8.280 nan 0.000 0.557 214 P HA -0.126 nan 4.420 nan 0.000 0.236 214 P C 1.066 178.518 177.300 0.253 0.000 1.172 214 P CA 0.605 63.819 63.100 0.191 0.000 0.759 214 P CB -0.271 31.559 31.700 0.217 0.000 0.843 215 F N 1.230 121.321 119.950 0.236 0.000 2.325 215 F HA -0.107 4.421 4.527 0.001 0.000 0.299 215 F C 2.018 177.817 175.800 -0.001 0.000 1.090 215 F CA 1.349 59.379 58.000 0.049 0.000 1.392 215 F CB -0.547 38.338 39.000 -0.191 0.000 1.053 215 F HN -0.058 nan 8.300 nan 0.000 0.521 216 S N -0.506 115.225 115.700 0.051 0.000 2.515 216 S HA -0.046 4.424 4.470 0.001 0.000 0.231 216 S C 0.869 175.484 174.600 0.026 0.000 0.987 216 S CA -0.085 58.109 58.200 -0.010 0.000 0.936 216 S CB -0.762 62.503 63.200 0.108 0.000 0.766 216 S HN 0.250 nan 8.310 nan 0.000 0.528 217 K N 1.301 121.720 120.400 0.033 0.000 2.414 217 K HA 0.129 4.449 4.320 0.001 0.000 0.272 217 K C -0.566 176.055 176.600 0.036 0.000 0.993 217 K CA -0.331 55.993 56.287 0.063 0.000 0.964 217 K CB 0.205 32.732 32.500 0.045 0.000 0.925 217 K HN 0.290 nan 8.250 nan 0.000 0.487 218 F N 1.771 121.586 119.950 -0.225 0.000 2.421 218 F HA 0.264 4.792 4.527 0.001 0.000 0.358 218 F C 0.949 176.553 175.800 -0.326 0.000 1.115 218 F CA -0.864 56.863 58.000 -0.456 0.000 1.160 218 F CB 0.720 38.939 39.000 -1.303 0.000 1.123 218 F HN 0.618 nan 8.300 nan 0.000 0.508 219 G N 3.218 111.789 108.800 -0.382 0.000 2.492 219 G HA2 -0.106 3.855 3.960 0.001 0.000 0.214 219 G HA3 -0.106 3.855 3.960 0.001 0.000 0.214 219 G C 1.227 175.740 174.900 -0.644 0.000 1.147 219 G CA 0.802 45.678 45.100 -0.375 0.000 0.809 219 G HN 0.662 nan 8.290 nan 0.000 0.533 220 T N 0.504 114.462 114.554 -0.993 0.000 2.770 220 T HA 0.350 4.701 4.350 0.001 0.000 0.263 220 T C 1.415 175.623 174.700 -0.820 0.000 1.039 220 T CA 1.181 62.751 62.100 -0.883 0.000 1.142 220 T CB -0.524 67.980 68.868 -0.606 0.000 0.868 220 T HN 1.159 nan 8.240 nan 0.000 0.435 221 G N 2.493 110.398 108.800 -1.491 0.000 2.787 221 G HA2 0.029 3.990 3.960 0.001 0.000 0.685 221 G HA3 0.029 3.990 3.960 0.001 0.000 0.685 221 G C -0.687 173.950 174.900 -0.440 0.000 1.437 221 G CA -0.382 44.209 45.100 -0.848 0.000 0.872 221 G HN 0.895 nan 8.290 nan 0.000 0.566 222 N N -1.571 116.999 118.700 -0.217 0.000 3.364 222 N HA 0.589 5.329 4.740 0.001 0.000 0.294 222 N C 0.797 176.259 175.510 -0.080 0.000 1.562 222 N CA -0.114 52.883 53.050 -0.088 0.000 0.862 222 N CB 0.628 39.149 38.487 0.057 0.000 1.691 222 N HN 0.724 nan 8.380 nan 0.000 0.572 223 K N -0.811 119.580 120.400 -0.015 0.000 2.063 223 K HA -0.147 4.173 4.320 0.001 0.000 0.208 223 K C 1.698 178.317 176.600 0.032 0.000 1.048 223 K CA 1.574 57.849 56.287 -0.020 0.000 0.928 223 K CB -0.738 31.778 32.500 0.026 0.000 0.713 223 K HN 0.530 nan 8.250 nan 0.000 0.442 224 Y N 0.635 120.939 120.300 0.006 0.000 2.133 224 Y HA -0.181 4.369 4.550 0.001 0.000 0.287 224 Y C 2.175 178.097 175.900 0.037 0.000 1.134 224 Y CA 2.293 60.416 58.100 0.039 0.000 1.133 224 Y CB -0.749 37.764 38.460 0.089 0.000 0.987 224 Y HN 0.064 nan 8.280 nan 0.000 0.502 225 T N 0.755 115.363 114.554 0.091 0.000 2.720 225 T HA -0.142 4.208 4.350 0.001 0.000 0.268 225 T C 1.529 176.137 174.700 -0.153 0.000 1.037 225 T CA 1.958 64.049 62.100 -0.014 0.000 1.144 225 T CB -0.361 68.519 68.868 0.021 0.000 0.864 225 T HN 0.322 nan 8.240 nan 0.000 0.444 226 L N -0.628 120.475 121.223 -0.201 0.000 2.766 226 L HA 0.393 4.734 4.340 0.001 0.000 0.242 226 L C 1.840 178.593 176.870 -0.196 0.000 1.136 226 L CA 0.236 54.920 54.840 -0.260 0.000 0.933 226 L CB 0.304 42.030 42.059 -0.555 0.000 1.241 226 L HN 0.199 nan 8.230 nan 0.000 0.522 227 E N -1.164 118.940 120.200 -0.160 0.000 3.823 227 E HA -0.025 4.326 4.350 0.001 0.000 0.225 227 E C 1.485 178.021 176.600 -0.106 0.000 1.257 227 E CA 0.621 56.959 56.400 -0.102 0.000 1.684 227 E CB 0.266 29.919 29.700 -0.077 0.000 1.550 227 E HN 0.066 nan 8.360 nan 0.000 0.709 228 T N 1.807 116.291 114.554 -0.118 0.000 2.643 228 T HA -0.103 4.247 4.350 0.001 0.000 0.264 228 T C 1.821 176.390 174.700 -0.219 0.000 1.045 228 T CA 1.274 63.308 62.100 -0.109 0.000 1.155 228 T CB -0.214 68.655 68.868 0.002 0.000 0.863 228 T HN -0.064 nan 8.240 nan 0.000 0.420 229 R N 1.318 121.519 120.500 -0.498 0.000 2.073 229 R HA -0.017 4.324 4.340 0.001 0.000 0.234 229 R C -0.797 175.371 176.300 -0.220 0.000 1.134 229 R CA 1.206 57.013 56.100 -0.489 0.000 0.952 229 R CB -1.705 28.117 30.300 -0.796 0.000 0.850 229 R HN 0.328 nan 8.270 nan 0.000 0.433 230 P HA -0.015 nan 4.420 nan 0.000 0.217 230 P C 0.454 177.716 177.300 -0.064 0.000 1.150 230 P CA 1.413 64.456 63.100 -0.095 0.000 0.832 230 P CB -0.132 31.520 31.700 -0.079 0.000 0.787 231 N N -0.886 117.776 118.700 -0.064 0.000 2.188 231 N HA -0.179 4.561 4.740 0.001 0.000 0.184 231 N C 1.929 177.421 175.510 -0.031 0.000 1.018 231 N CA 0.579 53.606 53.050 -0.037 0.000 0.858 231 N CB -0.348 38.122 38.487 -0.029 0.000 0.989 231 N HN 0.226 nan 8.380 nan 0.000 0.426 232 Q N 1.327 121.103 119.800 -0.041 0.000 2.084 232 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 232 Q C 1.183 177.172 176.000 -0.019 0.000 0.978 232 Q CA 1.290 57.079 55.803 -0.024 0.000 0.844 232 Q CB 0.129 28.854 28.738 -0.023 0.000 0.898 232 Q HN 0.398 nan 8.270 nan 0.000 0.426 233 E N -1.302 118.881 120.200 -0.030 0.000 2.511 233 E HA 0.008 4.359 4.350 0.001 0.000 0.196 233 E C 0.673 177.267 176.600 -0.011 0.000 1.066 233 E CA 0.339 56.729 56.400 -0.017 0.000 0.871 233 E CB 0.204 29.892 29.700 -0.021 0.000 0.863 233 E HN 0.672 nan 8.360 nan 0.000 0.520 234 G N 1.099 109.890 108.800 -0.014 0.000 2.176 234 G HA2 -0.239 3.722 3.960 0.001 0.000 0.253 234 G HA3 -0.239 3.722 3.960 0.001 0.000 0.253 234 G C 0.365 175.259 174.900 -0.010 0.000 0.979 234 G CA -0.081 45.013 45.100 -0.009 0.000 0.641 234 G HN 0.150 nan 8.290 nan 0.000 0.530 235 I N 1.241 121.802 120.570 -0.015 0.000 2.754 235 I HA 0.300 4.471 4.170 0.001 0.000 0.285 235 I C 0.114 176.222 176.117 -0.015 0.000 1.166 235 I CA -0.281 61.011 61.300 -0.014 0.000 1.417 235 I CB 1.023 39.013 38.000 -0.017 0.000 1.382 235 I HN 0.156 nan 8.210 nan 0.000 0.588 236 D N 4.711 125.103 120.400 -0.014 0.000 2.461 236 D HA 0.197 4.837 4.640 0.001 0.000 0.240 236 D C 0.825 177.112 176.300 -0.022 0.000 1.094 236 D CA -0.534 53.457 54.000 -0.015 0.000 0.868 236 D CB 1.436 42.227 40.800 -0.016 0.000 1.062 236 D HN 0.323 nan 8.370 nan 0.000 0.530 237 V N 3.311 123.217 119.914 -0.013 0.000 2.667 237 V HA -0.065 4.055 4.120 0.001 0.000 0.252 237 V C 2.247 178.293 176.094 -0.080 0.000 1.065 237 V CA 1.362 63.652 62.300 -0.015 0.000 1.083 237 V CB -0.556 31.299 31.823 0.053 0.000 0.692 237 V HN 0.485 nan 8.190 nan 0.000 0.468 238 R N 0.141 120.592 120.500 -0.082 0.000 2.091 238 R HA -0.243 4.097 4.340 0.001 0.000 0.238 238 R C 2.549 178.735 176.300 -0.190 0.000 1.136 238 R CA 2.279 58.287 56.100 -0.153 0.000 0.959 238 R CB -0.426 29.831 30.300 -0.072 0.000 0.856 238 R HN 0.720 nan 8.270 nan 0.000 0.437 239 Q N -0.007 119.730 119.800 -0.106 0.000 2.061 239 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 239 Q C 1.785 177.729 176.000 -0.094 0.000 0.984 239 Q CA 1.848 57.602 55.803 -0.083 0.000 0.846 239 Q CB 0.134 28.846 28.738 -0.043 0.000 0.902 239 Q HN 0.353 nan 8.270 nan 0.000 0.421 240 E N 0.349 120.499 120.200 -0.084 0.000 2.051 240 E HA -0.186 4.165 4.350 0.001 0.000 0.192 240 E C 2.177 178.723 176.600 -0.090 0.000 0.991 240 E CA 0.950 57.322 56.400 -0.048 0.000 0.799 240 E CB -0.310 29.375 29.700 -0.026 0.000 0.748 240 E HN 0.435 nan 8.360 nan 0.000 0.449 241 L N 0.468 121.526 121.223 -0.274 0.000 2.013 241 L HA -0.231 4.109 4.340 0.001 0.000 0.212 241 L C 2.521 179.080 176.870 -0.518 0.000 1.073 241 L CA 0.815 55.330 54.840 -0.542 0.000 0.753 241 L CB -0.505 40.899 42.059 -1.093 0.000 0.890 241 L HN 0.157 nan 8.230 nan 0.000 0.432 242 L N -0.016 120.917 121.223 -0.483 0.000 2.017 242 L HA -0.221 4.120 4.340 0.001 0.000 0.208 242 L C 2.569 179.434 176.870 -0.008 0.000 1.073 242 L CA 1.809 56.531 54.840 -0.197 0.000 0.745 242 L CB -1.088 40.903 42.059 -0.113 0.000 0.894 242 L HN 0.273 nan 8.230 nan 0.000 0.432 243 K N -1.440 118.957 120.400 -0.005 0.000 2.032 243 K HA -0.237 4.083 4.320 0.001 0.000 0.209 243 K C 2.135 178.783 176.600 0.081 0.000 1.048 243 K CA 1.537 57.843 56.287 0.032 0.000 0.927 243 K CB -0.362 32.160 32.500 0.037 0.000 0.712 243 K HN 0.103 nan 8.250 nan 0.000 0.441 244 F N 1.456 121.415 119.950 0.015 0.000 2.102 244 F HA -0.245 4.283 4.527 0.001 0.000 0.298 244 F C 2.622 178.521 175.800 0.165 0.000 1.105 244 F CA 1.596 59.680 58.000 0.141 0.000 1.239 244 F CB -0.228 38.848 39.000 0.127 0.000 0.991 244 F HN 0.203 nan 8.300 nan 0.000 0.474 245 H N -0.049 119.120 119.070 0.165 0.000 2.290 245 H HA -0.154 4.403 4.556 0.001 0.000 0.298 245 H C 2.259 177.638 175.328 0.084 0.000 1.087 245 H CA 2.085 58.155 56.048 0.037 0.000 1.291 245 H CB -0.331 29.448 29.762 0.029 0.000 1.369 245 H HN 0.381 nan 8.280 nan 0.000 0.492 246 S N 0.545 116.326 115.700 0.135 0.000 2.387 246 S HA 0.001 4.471 4.470 0.001 0.000 0.226 246 S C 2.462 177.018 174.600 -0.074 0.000 1.026 246 S CA 0.766 58.999 58.200 0.055 0.000 0.972 246 S CB -0.445 62.797 63.200 0.071 0.000 0.814 246 S HN 0.545 nan 8.310 nan 0.000 0.477 247 A N 0.320 123.034 122.820 -0.178 0.000 1.930 247 A HA 0.112 4.432 4.320 0.001 0.000 0.217 247 A C 1.798 179.077 177.584 -0.509 0.000 1.175 247 A CA 1.098 52.891 52.037 -0.407 0.000 0.627 247 A CB -0.596 18.034 19.000 -0.616 0.000 0.815 247 A HN 0.587 nan 8.150 nan 0.000 0.443 248 Y N -3.490 116.690 120.300 -0.199 0.000 2.535 248 Y HA 0.236 4.786 4.550 0.001 0.000 0.264 248 Y C 0.363 176.251 175.900 -0.021 0.000 1.087 248 Y CA -0.626 57.360 58.100 -0.189 0.000 1.285 248 Y CB 0.053 38.241 38.460 -0.453 0.000 1.200 248 Y HN 0.307 nan 8.280 nan 0.000 0.514 249 Y N 1.326 121.568 120.300 -0.097 0.000 2.724 249 Y HA 0.213 4.764 4.550 0.001 0.000 0.354 249 Y C 0.749 176.592 175.900 -0.093 0.000 1.270 249 Y CA -0.514 57.513 58.100 -0.123 0.000 1.902 249 Y CB 0.087 38.295 38.460 -0.421 0.000 1.981 249 Y HN -0.135 nan 8.280 nan 0.000 0.428 250 S N -0.106 115.604 115.700 0.016 0.000 2.549 250 S HA 0.173 4.643 4.470 0.001 0.000 0.297 250 S C 1.254 175.851 174.600 -0.006 0.000 1.115 250 S CA -0.220 57.982 58.200 0.004 0.000 1.059 250 S CB 1.303 64.495 63.200 -0.014 0.000 1.046 250 S HN 0.594 nan 8.310 nan 0.000 0.506 251 S N 3.216 118.920 115.700 0.007 0.000 2.399 251 S HA -0.189 4.282 4.470 0.001 0.000 0.231 251 S C 1.701 176.300 174.600 -0.002 0.000 1.022 251 S CA 1.444 59.647 58.200 0.004 0.000 0.983 251 S CB -0.921 62.293 63.200 0.023 0.000 0.803 251 S HN 0.904 nan 8.310 nan 0.000 0.480 252 N N 2.071 120.770 118.700 -0.003 0.000 2.364 252 N HA -0.075 4.666 4.740 0.001 0.000 0.183 252 N C 1.477 176.998 175.510 0.019 0.000 1.022 252 N CA 0.956 54.005 53.050 -0.001 0.000 0.883 252 N CB -0.521 37.958 38.487 -0.014 0.000 0.965 252 N HN 0.497 nan 8.380 nan 0.000 0.438 253 L N -0.280 120.954 121.223 0.018 0.000 2.628 253 L HA 0.324 4.665 4.340 0.001 0.000 0.229 253 L C 0.475 177.432 176.870 0.144 0.000 1.137 253 L CA -0.011 54.856 54.840 0.045 0.000 0.909 253 L CB -0.050 41.998 42.059 -0.019 0.000 1.137 253 L HN 0.070 nan 8.230 nan 0.000 0.470 254 M N -0.044 119.618 119.600 0.103 0.000 2.436 254 M HA 0.590 5.070 4.480 0.001 0.000 0.331 254 M C -0.383 175.901 176.300 -0.027 0.000 1.135 254 M CA -0.250 55.082 55.300 0.053 0.000 0.987 254 M CB 2.386 34.925 32.600 -0.103 0.000 1.687 254 M HN -0.063 nan 8.290 nan 0.000 0.445 255 A N 2.449 125.203 122.820 -0.111 0.000 2.365 255 A HA 0.896 5.217 4.320 0.001 0.000 0.318 255 A C -1.057 176.403 177.584 -0.206 0.000 1.091 255 A CA -0.682 51.196 52.037 -0.265 0.000 0.763 255 A CB 1.443 20.139 19.000 -0.507 0.000 1.248 255 A HN 0.618 nan 8.150 nan 0.000 0.442 256 V N 1.825 121.596 119.914 -0.239 0.000 2.709 256 V HA 0.570 4.691 4.120 0.001 0.000 0.308 256 V C -0.758 175.211 176.094 -0.209 0.000 1.062 256 V CA -0.507 61.626 62.300 -0.278 0.000 0.901 256 V CB 1.879 33.380 31.823 -0.537 0.000 1.003 256 V HN 0.710 nan 8.190 nan 0.000 0.425 257 V N 4.828 124.642 119.914 -0.168 0.000 2.531 257 V HA 0.589 4.710 4.120 0.001 0.000 0.301 257 V C -0.556 175.454 176.094 -0.141 0.000 1.034 257 V CA -0.594 61.622 62.300 -0.139 0.000 0.865 257 V CB 2.012 33.756 31.823 -0.131 0.000 0.995 257 V HN 0.598 nan 8.190 nan 0.000 0.424 258 V N 6.110 125.960 119.914 -0.107 0.000 2.487 258 V HA 0.566 4.687 4.120 0.001 0.000 0.298 258 V C -0.493 175.565 176.094 -0.059 0.000 1.028 258 V CA -0.547 61.704 62.300 -0.082 0.000 0.860 258 V CB 1.919 33.727 31.823 -0.025 0.000 0.991 258 V HN 0.743 nan 8.190 nan 0.000 0.427 259 L N 4.381 125.565 121.223 -0.065 0.000 2.362 259 L HA 1.018 5.358 4.340 0.001 0.000 0.275 259 L C 0.099 176.960 176.870 -0.016 0.000 0.998 259 L CA 0.246 55.064 54.840 -0.037 0.000 0.820 259 L CB 1.704 43.755 42.059 -0.014 0.000 1.270 259 L HN 0.823 nan 8.230 nan 0.000 0.415 260 G N 3.288 112.083 108.800 -0.008 0.000 2.606 260 G HA2 0.270 4.231 3.960 0.001 0.000 0.300 260 G HA3 0.270 4.231 3.960 0.001 0.000 0.300 260 G C -0.314 174.585 174.900 -0.001 0.000 1.360 260 G CA -0.636 44.477 45.100 0.021 0.000 0.783 260 G HN 0.573 nan 8.290 nan 0.000 0.484 261 R N -0.248 120.262 120.500 0.018 0.000 2.093 261 R HA 0.068 4.408 4.340 0.001 0.000 0.224 261 R C 0.248 176.544 176.300 -0.005 0.000 1.101 261 R CA 0.472 56.564 56.100 -0.015 0.000 0.979 261 R CB -0.127 30.161 30.300 -0.020 0.000 0.877 261 R HN 0.557 nan 8.270 nan 0.000 0.441 262 E N 1.422 121.633 120.200 0.019 0.000 2.508 262 E HA -0.083 4.267 4.350 0.001 0.000 0.266 262 E C 0.122 176.722 176.600 0.000 0.000 1.010 262 E CA 0.267 56.676 56.400 0.016 0.000 0.955 262 E CB 0.376 30.094 29.700 0.030 0.000 0.946 262 E HN 0.180 nan 8.360 nan 0.000 0.454 263 S N 2.194 117.895 115.700 0.001 0.000 2.572 263 S HA -0.064 4.407 4.470 0.001 0.000 0.267 263 S C 1.068 175.666 174.600 -0.003 0.000 1.361 263 S CA -0.714 57.483 58.200 -0.004 0.000 1.009 263 S CB 0.411 63.612 63.200 0.001 0.000 0.888 263 S HN 0.411 nan 8.310 nan 0.000 0.553 264 L N 1.087 122.306 121.223 -0.007 0.000 2.127 264 L HA -0.078 4.263 4.340 0.001 0.000 0.211 264 L C 2.088 178.964 176.870 0.011 0.000 1.089 264 L CA 1.723 56.562 54.840 -0.000 0.000 0.757 264 L CB -1.495 40.566 42.059 0.003 0.000 0.899 264 L HN 0.721 nan 8.230 nan 0.000 0.434 265 D N -0.806 119.601 120.400 0.012 0.000 2.123 265 D HA -0.133 4.507 4.640 0.001 0.000 0.200 265 D C 1.802 178.114 176.300 0.021 0.000 0.976 265 D CA 0.922 54.931 54.000 0.016 0.000 0.831 265 D CB 0.001 40.809 40.800 0.013 0.000 0.974 265 D HN 0.278 nan 8.370 nan 0.000 0.469 266 D N -0.029 120.383 120.400 0.021 0.000 2.117 266 D HA -0.094 4.546 4.640 0.001 0.000 0.198 266 D C 2.100 178.422 176.300 0.037 0.000 0.982 266 D CA 0.270 54.286 54.000 0.028 0.000 0.828 266 D CB -0.190 40.626 40.800 0.026 0.000 0.967 266 D HN 0.070 nan 8.370 nan 0.000 0.464 267 L N 1.035 122.277 121.223 0.032 0.000 2.042 267 L HA -0.145 4.195 4.340 0.001 0.000 0.210 267 L C 2.408 179.306 176.870 0.046 0.000 1.076 267 L CA 1.577 56.440 54.840 0.039 0.000 0.749 267 L CB -1.287 40.784 42.059 0.021 0.000 0.893 267 L HN 0.044 nan 8.230 nan 0.000 0.432 268 T N -0.643 113.933 114.554 0.037 0.000 2.708 268 T HA -0.146 4.205 4.350 0.001 0.000 0.266 268 T C 1.720 176.452 174.700 0.052 0.000 1.037 268 T CA 1.427 63.551 62.100 0.039 0.000 1.146 268 T CB -0.254 68.632 68.868 0.030 0.000 0.865 268 T HN 0.303 nan 8.240 nan 0.000 0.435 269 N N 1.205 119.934 118.700 0.048 0.000 2.120 269 N HA -0.015 4.725 4.740 0.001 0.000 0.188 269 N C 1.791 177.342 175.510 0.069 0.000 1.024 269 N CA 0.633 53.713 53.050 0.051 0.000 0.852 269 N CB -0.625 37.886 38.487 0.040 0.000 1.003 269 N HN 0.217 nan 8.380 nan 0.000 0.424 270 L N 0.951 122.221 121.223 0.079 0.000 1.994 270 L HA -0.053 4.288 4.340 0.001 0.000 0.208 270 L C 2.233 179.200 176.870 0.162 0.000 1.071 270 L CA 1.287 56.189 54.840 0.104 0.000 0.745 270 L CB -0.907 41.214 42.059 0.103 0.000 0.892 270 L HN 0.008 nan 8.230 nan 0.000 0.431 271 V N -1.165 118.858 119.914 0.181 0.000 2.343 271 V HA -0.234 3.886 4.120 0.001 0.000 0.247 271 V C 2.385 178.658 176.094 0.299 0.000 1.051 271 V CA 2.066 64.540 62.300 0.290 0.000 1.036 271 V CB -0.126 31.777 31.823 0.134 0.000 0.654 271 V HN 0.334 nan 8.190 nan 0.000 0.451 272 V N 0.311 120.324 119.914 0.165 0.000 2.295 272 V HA -0.274 3.847 4.120 0.001 0.000 0.246 272 V C 2.498 178.656 176.094 0.107 0.000 1.049 272 V CA 2.547 64.923 62.300 0.127 0.000 1.024 272 V CB -0.857 31.013 31.823 0.077 0.000 0.648 272 V HN 0.661 nan 8.190 nan 0.000 0.447 273 K N -0.169 120.283 120.400 0.087 0.000 2.113 273 K HA -0.175 4.146 4.320 0.001 0.000 0.208 273 K C 1.847 178.461 176.600 0.023 0.000 1.047 273 K CA 1.728 58.046 56.287 0.051 0.000 0.928 273 K CB -0.109 32.418 32.500 0.045 0.000 0.716 273 K HN 0.444 nan 8.250 nan 0.000 0.446 274 L N -1.164 120.076 121.223 0.029 0.000 2.556 274 L HA 0.129 4.469 4.340 0.001 0.000 0.226 274 L C 1.004 177.641 176.870 -0.388 0.000 1.089 274 L CA -0.036 54.701 54.840 -0.171 0.000 0.864 274 L CB 0.273 42.194 42.059 -0.230 0.000 1.067 274 L HN 0.083 nan 8.230 nan 0.000 0.477 275 F N -1.306 118.675 119.950 0.052 0.000 2.784 275 F HA 0.059 4.587 4.527 0.001 0.000 0.323 275 F C 2.351 178.164 175.800 0.021 0.000 1.085 275 F CA 0.189 58.211 58.000 0.036 0.000 1.196 275 F CB 0.217 39.231 39.000 0.023 0.000 1.053 275 F HN -0.079 nan 8.300 nan 0.000 0.578 276 S N 0.021 115.815 115.700 0.158 0.000 2.555 276 S HA -0.138 4.332 4.470 0.001 0.000 0.230 276 S C 1.277 175.914 174.600 0.062 0.000 0.978 276 S CA 0.823 59.082 58.200 0.097 0.000 0.934 276 S CB -0.763 62.481 63.200 0.072 0.000 0.766 276 S HN 0.624 nan 8.310 nan 0.000 0.533 277 E N 1.005 121.233 120.200 0.048 0.000 2.489 277 E HA 0.192 4.543 4.350 0.001 0.000 0.193 277 E C -0.329 176.295 176.600 0.041 0.000 1.057 277 E CA -0.195 56.221 56.400 0.028 0.000 0.866 277 E CB -0.122 29.580 29.700 0.003 0.000 0.916 277 E HN 0.265 nan 8.360 nan 0.000 0.500 278 V N 3.048 123.003 119.914 0.069 0.000 2.470 278 V HA -0.009 4.112 4.120 0.001 0.000 0.276 278 V C 0.495 176.626 176.094 0.062 0.000 1.040 278 V CA -0.138 62.214 62.300 0.086 0.000 1.008 278 V CB 0.626 32.525 31.823 0.125 0.000 0.990 278 V HN 0.224 nan 8.190 nan 0.000 0.477 279 E N 3.472 123.705 120.200 0.055 0.000 2.413 279 E HA 0.020 4.370 4.350 0.001 0.000 0.263 279 E C -0.010 176.604 176.600 0.025 0.000 1.015 279 E CA -0.202 56.219 56.400 0.034 0.000 0.916 279 E CB 0.432 30.149 29.700 0.030 0.000 0.947 279 E HN 0.568 nan 8.360 nan 0.000 0.440 280 N N 2.353 121.060 118.700 0.012 0.000 2.462 280 N HA 0.046 4.786 4.740 0.001 0.000 0.242 280 N C -0.538 174.965 175.510 -0.011 0.000 1.010 280 N CA -0.165 52.885 53.050 0.001 0.000 0.939 280 N CB 0.693 39.180 38.487 -0.000 0.000 1.127 280 N HN 0.247 nan 8.380 nan 0.000 0.509 281 K N 2.004 122.391 120.400 -0.021 0.000 2.410 281 K HA 0.167 4.488 4.320 0.001 0.000 0.200 281 K C -0.100 176.472 176.600 -0.046 0.000 1.023 281 K CA -0.196 56.068 56.287 -0.039 0.000 1.149 281 K CB -0.155 32.311 32.500 -0.057 0.000 0.859 281 K HN 0.528 nan 8.250 nan 0.000 0.514 282 N N 0.772 119.451 118.700 -0.036 0.000 2.699 282 N HA -0.169 4.572 4.740 0.001 0.000 0.256 282 N C -1.185 174.296 175.510 -0.049 0.000 0.993 282 N CA 0.287 53.314 53.050 -0.038 0.000 0.759 282 N CB -0.840 37.626 38.487 -0.034 0.000 0.906 282 N HN -0.073 nan 8.380 nan 0.000 0.541 283 V N 1.620 121.504 119.914 -0.051 0.000 2.488 283 V HA 0.305 4.425 4.120 0.001 0.000 0.277 283 V C -1.442 174.620 176.094 -0.054 0.000 1.046 283 V CA -1.081 61.185 62.300 -0.055 0.000 0.986 283 V CB 1.078 32.879 31.823 -0.036 0.000 0.989 283 V HN 0.253 nan 8.190 nan 0.000 0.475 284 P HA 0.167 nan 4.420 nan 0.000 0.276 284 P C -0.335 176.906 177.300 -0.098 0.000 1.230 284 P CA -0.370 62.684 63.100 -0.077 0.000 0.776 284 P CB 0.864 32.519 31.700 -0.074 0.000 0.888 285 L N 5.391 126.525 121.223 -0.149 0.000 2.462 285 L HA 0.166 4.506 4.340 0.001 0.000 0.272 285 L C -1.791 174.933 176.870 -0.243 0.000 1.166 285 L CA -1.553 53.148 54.840 -0.230 0.000 0.880 285 L CB 0.338 42.210 42.059 -0.312 0.000 1.142 285 L HN 0.266 nan 8.230 nan 0.000 0.473 286 P HA 0.084 nan 4.420 nan 0.000 0.267 286 P C -1.224 175.766 177.300 -0.516 0.000 1.200 286 P CA 0.113 62.980 63.100 -0.387 0.000 0.772 286 P CB 0.584 32.108 31.700 -0.293 0.000 0.855 287 E N 1.074 120.821 120.200 -0.756 0.000 2.278 287 E HA 0.442 4.792 4.350 0.001 0.000 0.272 287 E C -1.602 174.594 176.600 -0.673 0.000 0.890 287 E CA -0.382 55.720 56.400 -0.496 0.000 0.770 287 E CB 0.622 30.165 29.700 -0.261 0.000 1.212 287 E HN 0.198 nan 8.360 nan 0.000 0.415 288 F N 5.753 125.755 119.950 0.086 0.000 2.471 288 F HA 0.322 4.849 4.527 0.001 0.000 0.318 288 F C -1.577 174.349 175.800 0.210 0.000 1.308 288 F CA -1.521 56.583 58.000 0.172 0.000 1.162 288 F CB 1.125 40.364 39.000 0.398 0.000 1.383 288 F HN 0.387 nan 8.300 nan 0.000 0.552 289 P HA -0.164 nan 4.420 nan 0.000 0.221 289 P C 0.336 177.735 177.300 0.165 0.000 1.150 289 P CA 0.992 64.184 63.100 0.153 0.000 0.800 289 P CB 0.435 32.177 31.700 0.071 0.000 0.787 290 E N 0.367 120.668 120.200 0.168 0.000 2.289 290 E HA 0.026 4.376 4.350 0.001 0.000 0.278 290 E C -0.224 176.433 176.600 0.095 0.000 1.032 290 E CA -0.554 55.937 56.400 0.152 0.000 0.854 290 E CB 0.280 30.065 29.700 0.142 0.000 1.046 290 E HN 0.138 nan 8.360 nan 0.000 0.409 291 H N 6.090 125.103 119.070 -0.094 0.000 2.767 291 H HA 0.062 4.618 4.556 0.001 0.000 0.316 291 H C -1.650 173.316 175.328 -0.604 0.000 1.059 291 H CA -1.865 53.929 56.048 -0.423 0.000 1.461 291 H CB 1.431 31.061 29.762 -0.219 0.000 1.475 291 H HN 0.466 nan 8.280 nan 0.000 0.531 292 P HA -0.142 nan 4.420 nan 0.000 0.221 292 P C -0.162 176.838 177.300 -0.501 0.000 1.145 292 P CA 0.984 63.427 63.100 -1.095 0.000 0.795 292 P CB 0.100 30.807 31.700 -1.654 0.000 0.775 293 F N 0.903 120.823 119.950 -0.051 0.000 2.334 293 F HA 0.374 4.901 4.527 0.001 0.000 0.367 293 F C 1.165 177.014 175.800 0.081 0.000 1.115 293 F CA -0.891 57.109 58.000 -0.000 0.000 1.116 293 F CB 0.225 39.255 39.000 0.049 0.000 1.230 293 F HN -0.166 nan 8.300 nan 0.000 0.484 294 Q N 1.386 121.489 119.800 0.505 0.000 2.427 294 Q HA 0.254 4.594 4.340 0.001 0.000 0.232 294 Q C 1.342 177.504 176.000 0.270 0.000 1.018 294 Q CA -0.652 55.363 55.803 0.355 0.000 0.965 294 Q CB 0.883 29.829 28.738 0.347 0.000 1.232 294 Q HN 0.576 nan 8.270 nan 0.000 0.510 295 E N 0.717 121.003 120.200 0.143 0.000 2.171 295 E HA -0.233 4.117 4.350 0.001 0.000 0.197 295 E C 0.867 177.481 176.600 0.022 0.000 0.997 295 E CA 1.704 58.149 56.400 0.076 0.000 0.810 295 E CB 0.352 30.083 29.700 0.051 0.000 0.738 295 E HN 0.474 nan 8.360 nan 0.000 0.467 296 E N -0.803 119.357 120.200 -0.067 0.000 2.489 296 E HA -0.025 4.326 4.350 0.001 0.000 0.193 296 E C 0.962 177.396 176.600 -0.277 0.000 1.057 296 E CA 0.484 56.771 56.400 -0.188 0.000 0.866 296 E CB -0.033 29.526 29.700 -0.236 0.000 0.916 296 E HN 0.328 nan 8.360 nan 0.000 0.500 297 H N 0.056 119.182 119.070 0.093 0.000 2.549 297 H HA 0.304 4.860 4.556 0.001 0.000 0.279 297 H C 0.108 175.436 175.328 0.000 0.000 1.018 297 H CA -0.021 56.078 56.048 0.084 0.000 1.175 297 H CB 0.573 30.445 29.762 0.183 0.000 1.485 297 H HN 0.120 nan 8.280 nan 0.000 0.543 298 L N 0.002 121.277 121.223 0.087 0.000 2.313 298 L HA 0.273 4.613 4.340 0.001 0.000 0.268 298 L C 0.544 177.441 176.870 0.045 0.000 1.010 298 L CA -0.983 53.893 54.840 0.061 0.000 0.814 298 L CB 1.395 43.505 42.059 0.084 0.000 1.304 298 L HN -0.085 nan 8.230 nan 0.000 0.441 299 K N 0.189 120.629 120.400 0.067 0.000 3.071 299 K HA -0.176 4.145 4.320 0.001 0.000 0.265 299 K C -0.749 175.860 176.600 0.013 0.000 1.060 299 K CA 0.457 56.786 56.287 0.071 0.000 0.767 299 K CB -1.041 31.491 32.500 0.054 0.000 1.241 299 K HN 0.389 nan 8.250 nan 0.000 0.486 300 Q N 0.285 120.079 119.800 -0.010 0.000 2.309 300 Q HA 0.567 4.907 4.340 0.001 0.000 0.264 300 Q C -0.729 175.148 176.000 -0.204 0.000 1.008 300 Q CA -0.980 54.730 55.803 -0.155 0.000 0.853 300 Q CB 1.942 30.569 28.738 -0.184 0.000 1.314 300 Q HN 0.215 nan 8.270 nan 0.000 0.448 301 L N 2.118 123.118 121.223 -0.372 0.000 2.362 301 L HA 0.511 4.852 4.340 0.001 0.000 0.275 301 L C -1.838 174.734 176.870 -0.496 0.000 0.998 301 L CA -0.490 54.203 54.840 -0.244 0.000 0.820 301 L CB 1.201 43.201 42.059 -0.097 0.000 1.270 301 L HN 0.452 nan 8.230 nan 0.000 0.415 302 Y N 3.584 123.874 120.300 -0.016 0.000 2.350 302 Y HA 0.553 5.103 4.550 0.001 0.000 0.338 302 Y C -0.333 175.521 175.900 -0.077 0.000 0.961 302 Y CA -0.711 57.377 58.100 -0.020 0.000 1.100 302 Y CB 1.732 40.170 38.460 -0.036 0.000 1.179 302 Y HN 0.392 nan 8.280 nan 0.000 0.454 303 K N 5.076 125.427 120.400 -0.082 0.000 2.307 303 K HA 0.690 5.011 4.320 0.001 0.000 0.263 303 K C -1.249 175.258 176.600 -0.155 0.000 0.973 303 K CA -0.458 55.541 56.287 -0.480 0.000 0.846 303 K CB 1.778 33.515 32.500 -1.273 0.000 1.100 303 K HN 0.564 nan 8.250 nan 0.000 0.438 304 I N 2.166 122.806 120.570 0.117 0.000 2.582 304 I HA 0.207 4.377 4.170 0.001 0.000 0.292 304 I C -0.622 175.689 176.117 0.323 0.000 1.066 304 I CA -1.243 60.194 61.300 0.228 0.000 1.053 304 I CB 2.344 40.441 38.000 0.160 0.000 1.241 304 I HN 0.211 nan 8.210 nan 0.000 0.421 305 V N 7.478 127.540 119.914 0.246 0.000 2.385 305 V HA 0.304 4.425 4.120 0.001 0.000 0.269 305 V C -1.840 174.335 176.094 0.135 0.000 1.043 305 V CA -1.356 61.064 62.300 0.201 0.000 0.906 305 V CB 0.469 32.389 31.823 0.161 0.000 0.995 305 V HN 0.568 nan 8.190 nan 0.000 0.467 306 P HA 0.304 nan 4.420 nan 0.000 0.275 306 P C 0.581 177.917 177.300 0.059 0.000 1.266 306 P CA -0.316 62.834 63.100 0.083 0.000 0.793 306 P CB 1.439 33.187 31.700 0.080 0.000 1.074 307 I N -1.084 119.512 120.570 0.044 0.000 2.385 307 I HA 0.079 4.249 4.170 0.001 0.000 0.244 307 I C 1.359 177.492 176.117 0.027 0.000 1.089 307 I CA 0.965 62.279 61.300 0.024 0.000 1.410 307 I CB -1.167 36.832 38.000 -0.001 0.000 1.117 307 I HN 0.313 nan 8.210 nan 0.000 0.429 308 K N 1.340 121.761 120.400 0.036 0.000 2.180 308 K HA -0.015 4.306 4.320 0.001 0.000 0.251 308 K C -0.063 176.557 176.600 0.034 0.000 1.014 308 K CA -0.294 56.016 56.287 0.038 0.000 0.913 308 K CB 0.411 32.938 32.500 0.046 0.000 1.008 308 K HN -0.094 nan 8.250 nan 0.000 0.490 309 D N 2.733 123.149 120.400 0.026 0.000 2.435 309 D HA 0.176 4.816 4.640 0.001 0.000 0.230 309 D C -0.827 175.485 176.300 0.020 0.000 1.215 309 D CA -0.192 53.818 54.000 0.017 0.000 0.947 309 D CB -0.496 40.307 40.800 0.005 0.000 1.048 309 D HN 0.375 nan 8.370 nan 0.000 0.512 310 I N -0.481 120.105 120.570 0.027 0.000 2.686 310 I HA 0.582 4.753 4.170 0.001 0.000 0.295 310 I C -0.810 175.322 176.117 0.026 0.000 1.114 310 I CA -1.112 60.207 61.300 0.032 0.000 1.038 310 I CB 2.257 40.288 38.000 0.052 0.000 1.238 310 I HN -0.160 nan 8.210 nan 0.000 0.420 311 R N 4.295 124.801 120.500 0.010 0.000 2.388 311 R HA 0.553 4.894 4.340 0.001 0.000 0.314 311 R C -1.222 175.065 176.300 -0.022 0.000 0.959 311 R CA -0.749 55.349 56.100 -0.003 0.000 0.851 311 R CB 1.357 31.643 30.300 -0.023 0.000 1.168 311 R HN 0.650 nan 8.270 nan 0.000 0.472 312 N N 2.136 120.821 118.700 -0.025 0.000 2.321 312 N HA 0.454 5.195 4.740 0.001 0.000 0.290 312 N C -1.571 173.805 175.510 -0.223 0.000 1.212 312 N CA -0.846 52.099 53.050 -0.175 0.000 0.767 312 N CB 2.310 40.636 38.487 -0.269 0.000 1.494 312 N HN 0.265 nan 8.380 nan 0.000 0.479 313 L N 1.155 122.131 121.223 -0.411 0.000 2.381 313 L HA 0.534 4.875 4.340 0.001 0.000 0.274 313 L C -1.865 174.701 176.870 -0.507 0.000 0.988 313 L CA -0.502 54.158 54.840 -0.299 0.000 0.824 313 L CB 0.849 42.819 42.059 -0.148 0.000 1.263 313 L HN 0.423 nan 8.230 nan 0.000 0.410 314 Y N 4.404 124.686 120.300 -0.031 0.000 2.328 314 Y HA 0.659 5.210 4.550 0.001 0.000 0.337 314 Y C -0.262 175.583 175.900 -0.092 0.000 0.966 314 Y CA -0.823 57.239 58.100 -0.063 0.000 1.136 314 Y CB 1.971 40.390 38.460 -0.068 0.000 1.170 314 Y HN 0.322 nan 8.280 nan 0.000 0.470 315 V N 3.591 123.493 119.914 -0.020 0.000 2.417 315 V HA 0.595 4.716 4.120 0.001 0.000 0.291 315 V C -0.328 175.652 176.094 -0.191 0.000 1.024 315 V CA -0.538 61.665 62.300 -0.161 0.000 0.861 315 V CB 1.878 33.556 31.823 -0.243 0.000 0.985 315 V HN 0.835 nan 8.190 nan 0.000 0.436 316 T N 5.030 119.397 114.554 -0.313 0.000 2.886 316 T HA 0.705 5.056 4.350 0.001 0.000 0.292 316 T C -1.065 173.443 174.700 -0.320 0.000 1.012 316 T CA -0.284 61.724 62.100 -0.153 0.000 0.982 316 T CB 1.265 70.129 68.868 -0.007 0.000 1.018 316 T HN 0.262 nan 8.240 nan 0.000 0.451 317 F N 3.224 123.359 119.950 0.310 0.000 2.518 317 F HA 0.482 5.010 4.527 0.001 0.000 0.323 317 F C -2.342 173.651 175.800 0.321 0.000 1.129 317 F CA -2.629 55.538 58.000 0.279 0.000 0.920 317 F CB 1.847 41.012 39.000 0.274 0.000 1.160 317 F HN 0.256 nan 8.300 nan 0.000 0.440 318 P HA 0.397 nan 4.420 nan 0.000 0.275 318 P C -0.747 176.600 177.300 0.079 0.000 1.227 318 P CA -0.112 63.030 63.100 0.071 0.000 0.781 318 P CB 1.011 32.455 31.700 -0.427 0.000 0.906 319 I N -1.032 119.630 120.570 0.152 0.000 3.074 319 I HA 0.684 4.854 4.170 0.001 0.000 0.310 319 I C -2.970 173.281 176.117 0.224 0.000 1.153 319 I CA -3.607 57.799 61.300 0.177 0.000 0.993 319 I CB 2.100 40.226 38.000 0.209 0.000 1.237 319 I HN 0.001 nan 8.210 nan 0.000 0.443 320 P HA 0.023 nan 4.420 nan 0.000 0.271 320 P C -0.987 176.399 177.300 0.144 0.000 1.233 320 P CA 0.006 63.213 63.100 0.179 0.000 0.789 320 P CB 0.353 32.153 31.700 0.167 0.000 0.951 321 D N 1.110 121.572 120.400 0.103 0.000 2.382 321 D HA 0.004 4.644 4.640 0.001 0.000 0.259 321 D C 0.637 176.994 176.300 0.095 0.000 1.224 321 D CA 0.401 54.437 54.000 0.059 0.000 0.894 321 D CB 0.202 41.016 40.800 0.023 0.000 1.127 321 D HN 0.243 nan 8.370 nan 0.000 0.487 322 L N 3.364 124.674 121.223 0.145 0.000 2.592 322 L HA 0.010 4.350 4.340 0.001 0.000 0.227 322 L C 2.022 179.000 176.870 0.180 0.000 1.127 322 L CA -0.145 54.844 54.840 0.247 0.000 0.884 322 L CB -0.059 42.180 42.059 0.301 0.000 1.065 322 L HN 0.367 nan 8.230 nan 0.000 0.457 323 Q N 2.353 122.215 119.800 0.103 0.000 2.096 323 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 323 Q C 2.134 178.227 176.000 0.155 0.000 0.982 323 Q CA 2.098 57.980 55.803 0.132 0.000 0.850 323 Q CB -0.112 28.694 28.738 0.112 0.000 0.901 323 Q HN 0.566 nan 8.270 nan 0.000 0.422 324 K N -1.258 119.115 120.400 -0.045 0.000 2.280 324 K HA -0.171 4.150 4.320 0.001 0.000 0.202 324 K C 0.236 176.729 176.600 -0.178 0.000 1.047 324 K CA 1.254 57.465 56.287 -0.126 0.000 0.942 324 K CB -0.301 32.014 32.500 -0.309 0.000 0.739 324 K HN 0.270 nan 8.250 nan 0.000 0.457 325 Y N 1.526 121.886 120.300 0.100 0.000 2.718 325 Y HA 0.109 4.659 4.550 0.001 0.000 0.322 325 Y C 1.090 177.017 175.900 0.044 0.000 1.122 325 Y CA -1.410 56.702 58.100 0.020 0.000 1.348 325 Y CB -0.943 37.536 38.460 0.033 0.000 1.174 325 Y HN 0.185 nan 8.280 nan 0.000 0.523 326 Y N 0.504 120.931 120.300 0.212 0.000 2.315 326 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 326 Y C 1.718 177.729 175.900 0.185 0.000 1.154 326 Y CA 1.228 59.453 58.100 0.209 0.000 1.229 326 Y CB -0.540 38.083 38.460 0.271 0.000 0.980 326 Y HN 0.153 nan 8.280 nan 0.000 0.540 327 K N 0.564 120.850 120.400 -0.190 0.000 2.365 327 K HA 0.105 4.425 4.320 0.001 0.000 0.197 327 K C 1.492 178.168 176.600 0.127 0.000 1.042 327 K CA 1.084 57.339 56.287 -0.053 0.000 0.987 327 K CB -0.191 32.179 32.500 -0.217 0.000 0.779 327 K HN 0.454 nan 8.250 nan 0.000 0.484 328 S N 0.479 116.266 115.700 0.145 0.000 2.497 328 S HA -0.009 4.461 4.470 0.001 0.000 0.221 328 S C 0.622 175.429 174.600 0.345 0.000 1.037 328 S CA -0.345 58.000 58.200 0.241 0.000 0.920 328 S CB -0.301 62.911 63.200 0.021 0.000 0.800 328 S HN 0.346 nan 8.310 nan 0.000 0.505 329 N N 2.504 121.371 118.700 0.278 0.000 2.641 329 N HA -0.081 4.659 4.740 0.001 0.000 0.267 329 N C -2.235 173.474 175.510 0.331 0.000 1.087 329 N CA 0.794 54.032 53.050 0.314 0.000 0.731 329 N CB -0.415 38.260 38.487 0.313 0.000 0.886 329 N HN 0.289 nan 8.380 nan 0.000 0.547 330 P HA -0.064 nan 4.420 nan 0.000 0.217 330 P C 1.474 178.947 177.300 0.288 0.000 1.150 330 P CA 1.745 64.948 63.100 0.171 0.000 0.832 330 P CB -0.144 31.561 31.700 0.008 0.000 0.787 331 G N -0.929 108.056 108.800 0.309 0.000 2.422 331 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 331 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 331 G C 1.590 176.753 174.900 0.437 0.000 1.146 331 G CA 0.972 46.312 45.100 0.400 0.000 0.769 331 G HN 0.326 nan 8.290 nan 0.000 0.547 332 H N -0.929 118.318 119.070 0.293 0.000 2.389 332 H HA -0.109 4.447 4.556 0.001 0.000 0.299 332 H C 2.036 177.538 175.328 0.291 0.000 1.081 332 H CA 1.592 57.788 56.048 0.246 0.000 1.345 332 H CB -0.379 29.491 29.762 0.181 0.000 1.393 332 H HN 0.407 nan 8.280 nan 0.000 0.520 333 Y N 0.437 120.827 120.300 0.150 0.000 2.114 333 Y HA -0.182 4.368 4.550 0.001 0.000 0.284 333 Y C 2.104 178.091 175.900 0.145 0.000 1.143 333 Y CA 1.902 60.071 58.100 0.116 0.000 1.135 333 Y CB -0.378 38.219 38.460 0.227 0.000 0.980 333 Y HN 0.215 nan 8.280 nan 0.000 0.499 334 L N -0.287 121.147 121.223 0.350 0.000 2.201 334 L HA -0.091 4.249 4.340 0.001 0.000 0.212 334 L C 2.595 179.648 176.870 0.306 0.000 1.105 334 L CA 0.994 55.989 54.840 0.259 0.000 0.775 334 L CB -0.948 41.244 42.059 0.222 0.000 0.913 334 L HN 0.464 nan 8.230 nan 0.000 0.440 335 G N -1.130 107.865 108.800 0.325 0.000 2.394 335 G HA2 -0.306 3.654 3.960 0.001 0.000 0.215 335 G HA3 -0.306 3.654 3.960 0.001 0.000 0.215 335 G C 1.333 176.280 174.900 0.079 0.000 1.165 335 G CA 0.722 45.950 45.100 0.213 0.000 0.784 335 G HN 0.405 nan 8.290 nan 0.000 0.535 336 H N 0.595 119.605 119.070 -0.099 0.000 2.353 336 H HA -0.016 4.541 4.556 0.001 0.000 0.298 336 H C 2.345 177.678 175.328 0.009 0.000 1.103 336 H CA 1.797 57.778 56.048 -0.112 0.000 1.293 336 H CB -0.192 29.402 29.762 -0.279 0.000 1.372 336 H HN 0.313 nan 8.280 nan 0.000 0.501 337 L N -0.680 120.455 121.223 -0.147 0.000 2.084 337 L HA -0.022 4.318 4.340 0.001 0.000 0.202 337 L C 2.555 179.425 176.870 -0.001 0.000 1.074 337 L CA 0.997 55.773 54.840 -0.107 0.000 0.757 337 L CB -0.281 41.734 42.059 -0.073 0.000 0.918 337 L HN 0.266 nan 8.230 nan 0.000 0.444 338 I N 0.269 120.871 120.570 0.053 0.000 2.361 338 I HA -0.181 3.990 4.170 0.001 0.000 0.251 338 I C 2.325 178.336 176.117 -0.177 0.000 1.133 338 I CA 1.420 62.680 61.300 -0.067 0.000 1.413 338 I CB -0.624 37.463 38.000 0.145 0.000 1.073 338 I HN 0.287 nan 8.210 nan 0.000 0.424 339 G N -1.050 107.689 108.800 -0.101 0.000 2.813 339 G HA2 -0.088 3.872 3.960 0.001 0.000 0.209 339 G HA3 -0.088 3.872 3.960 0.001 0.000 0.209 339 G C 0.716 175.494 174.900 -0.203 0.000 1.150 339 G CA -0.163 44.859 45.100 -0.130 0.000 0.785 339 G HN 0.311 nan 8.290 nan 0.000 0.535 340 H N 0.710 119.600 119.070 -0.299 0.000 2.948 340 H HA 0.080 4.637 4.556 0.001 0.000 0.351 340 H C 0.384 175.383 175.328 -0.548 0.000 1.079 340 H CA 0.934 56.768 56.048 -0.356 0.000 1.407 340 H CB 0.841 30.454 29.762 -0.248 0.000 1.373 340 H HN 0.287 nan 8.280 nan 0.000 0.605 341 E N 1.951 121.518 120.200 -1.056 0.000 2.601 341 E HA 0.167 4.517 4.350 0.001 0.000 0.219 341 E C 0.851 177.304 176.600 -0.245 0.000 0.964 341 E CA -0.272 55.684 56.400 -0.739 0.000 1.050 341 E CB 1.033 30.071 29.700 -1.102 0.000 1.068 341 E HN 0.686 nan 8.360 nan 0.000 0.496 342 G N 2.392 111.253 108.800 0.102 0.000 2.563 342 G HA2 0.237 4.198 3.960 0.001 0.000 0.283 342 G HA3 0.237 4.198 3.960 0.001 0.000 0.283 342 G C -2.560 172.460 174.900 0.199 0.000 1.309 342 G CA -1.096 44.163 45.100 0.266 0.000 1.022 342 G HN -0.165 nan 8.290 nan 0.000 0.501 343 P HA 0.175 nan 4.420 nan 0.000 0.264 343 P C 0.874 178.259 177.300 0.142 0.000 1.183 343 P CA 1.635 64.816 63.100 0.135 0.000 0.763 343 P CB 0.870 32.644 31.700 0.124 0.000 0.807 344 G N 1.650 110.535 108.800 0.143 0.000 2.199 344 G HA2 -0.250 3.710 3.960 0.001 0.000 0.254 344 G HA3 -0.250 3.710 3.960 0.001 0.000 0.254 344 G C 0.422 175.528 174.900 0.344 0.000 0.982 344 G CA 0.311 45.533 45.100 0.203 0.000 0.632 344 G HN 0.784 nan 8.290 nan 0.000 0.529 345 S N 0.020 115.865 115.700 0.242 0.000 2.600 345 S HA 0.600 5.070 4.470 0.001 0.000 0.265 345 S C 1.600 176.301 174.600 0.169 0.000 1.325 345 S CA -0.023 58.267 58.200 0.149 0.000 1.002 345 S CB 1.582 64.795 63.200 0.020 0.000 0.921 345 S HN 0.644 nan 8.310 nan 0.000 0.554 346 L N 0.385 121.417 121.223 -0.318 0.000 2.012 346 L HA -0.119 4.221 4.340 0.001 0.000 0.210 346 L C 2.422 179.297 176.870 0.008 0.000 1.073 346 L CA 1.765 56.460 54.840 -0.241 0.000 0.748 346 L CB -0.596 41.042 42.059 -0.702 0.000 0.891 346 L HN 0.824 nan 8.230 nan 0.000 0.431 347 L N -0.575 120.581 121.223 -0.111 0.000 2.012 347 L HA -0.238 4.102 4.340 0.001 0.000 0.210 347 L C 2.569 179.427 176.870 -0.019 0.000 1.073 347 L CA 2.108 56.901 54.840 -0.080 0.000 0.748 347 L CB -0.803 41.167 42.059 -0.149 0.000 0.891 347 L HN 0.136 nan 8.230 nan 0.000 0.431 348 S N -0.662 115.044 115.700 0.010 0.000 2.365 348 S HA -0.252 4.219 4.470 0.001 0.000 0.225 348 S C 1.881 176.484 174.600 0.005 0.000 1.039 348 S CA 1.528 59.739 58.200 0.018 0.000 1.033 348 S CB -0.357 62.873 63.200 0.050 0.000 0.887 348 S HN 0.613 nan 8.310 nan 0.000 0.447 349 E N 1.022 121.259 120.200 0.061 0.000 2.051 349 E HA -0.082 4.268 4.350 0.001 0.000 0.192 349 E C 1.883 178.420 176.600 -0.104 0.000 0.991 349 E CA 0.941 57.325 56.400 -0.026 0.000 0.799 349 E CB -0.538 29.148 29.700 -0.024 0.000 0.748 349 E HN 0.247 nan 8.360 nan 0.000 0.449 350 L N 0.836 122.050 121.223 -0.015 0.000 2.079 350 L HA -0.130 4.210 4.340 0.001 0.000 0.210 350 L C 2.309 179.119 176.870 -0.100 0.000 1.081 350 L CA 1.761 56.571 54.840 -0.050 0.000 0.752 350 L CB -0.589 41.503 42.059 0.055 0.000 0.896 350 L HN 0.109 nan 8.230 nan 0.000 0.433 351 K N -1.577 118.777 120.400 -0.077 0.000 2.167 351 K HA -0.045 4.275 4.320 0.001 0.000 0.203 351 K C 2.096 178.621 176.600 -0.124 0.000 1.052 351 K CA 0.980 57.223 56.287 -0.073 0.000 0.956 351 K CB 0.136 32.609 32.500 -0.044 0.000 0.735 351 K HN 0.191 nan 8.250 nan 0.000 0.451 352 S N 0.793 116.396 115.700 -0.162 0.000 2.414 352 S HA -0.000 4.470 4.470 0.001 0.000 0.227 352 S C 1.228 175.649 174.600 -0.300 0.000 1.022 352 S CA 0.759 58.850 58.200 -0.182 0.000 0.958 352 S CB 0.071 63.180 63.200 -0.151 0.000 0.797 352 S HN 0.276 nan 8.310 nan 0.000 0.493 353 K N 0.840 120.934 120.400 -0.510 0.000 2.504 353 K HA 0.088 4.408 4.320 0.001 0.000 0.195 353 K C 1.117 177.268 176.600 -0.749 0.000 1.036 353 K CA 0.589 56.350 56.287 -0.876 0.000 0.984 353 K CB -0.240 31.189 32.500 -1.784 0.000 0.788 353 K HN 0.423 nan 8.250 nan 0.000 0.488 354 G N 1.311 109.878 108.800 -0.389 0.000 2.225 354 G HA2 -0.178 3.782 3.960 0.001 0.000 0.264 354 G HA3 -0.178 3.782 3.960 0.001 0.000 0.264 354 G C 0.090 175.017 174.900 0.046 0.000 1.060 354 G CA 0.016 45.031 45.100 -0.142 0.000 0.833 354 G HN 0.316 nan 8.290 nan 0.000 0.498 355 W N -1.351 119.902 121.300 -0.079 0.000 2.907 355 W HA 0.551 5.212 4.660 0.001 0.000 0.271 355 W C 0.743 177.230 176.519 -0.053 0.000 1.253 355 W CA -0.100 57.203 57.345 -0.070 0.000 1.501 355 W CB 0.384 29.788 29.460 -0.092 0.000 1.047 355 W HN 0.240 nan 8.180 nan 0.000 0.610 356 V N 0.334 120.340 119.914 0.152 0.000 2.971 356 V HA 0.232 4.353 4.120 0.001 0.000 0.309 356 V C -0.059 176.048 176.094 0.023 0.000 1.130 356 V CA -0.543 61.798 62.300 0.068 0.000 0.964 356 V CB 2.252 34.108 31.823 0.055 0.000 1.029 356 V HN -0.179 nan 8.190 nan 0.000 0.427 357 N N 0.262 118.963 118.700 0.003 0.000 2.646 357 N HA 0.131 4.871 4.740 0.001 0.000 0.214 357 N C 0.115 175.609 175.510 -0.028 0.000 1.042 357 N CA 0.536 53.582 53.050 -0.007 0.000 0.925 357 N CB 0.586 39.075 38.487 0.003 0.000 1.383 357 N HN 0.812 nan 8.380 nan 0.000 0.439 358 T N -0.682 113.849 114.554 -0.038 0.000 2.932 358 T HA 0.682 5.032 4.350 0.001 0.000 0.289 358 T C -0.893 173.761 174.700 -0.076 0.000 1.039 358 T CA -0.782 61.285 62.100 -0.056 0.000 1.024 358 T CB 2.322 71.164 68.868 -0.044 0.000 1.090 358 T HN 0.016 nan 8.240 nan 0.000 0.496 359 L N 1.474 122.639 121.223 -0.096 0.000 2.505 359 L HA 0.717 5.057 4.340 0.001 0.000 0.266 359 L C -1.738 175.067 176.870 -0.107 0.000 0.954 359 L CA -0.813 53.960 54.840 -0.111 0.000 0.852 359 L CB 1.785 43.765 42.059 -0.132 0.000 1.282 359 L HN 0.653 nan 8.230 nan 0.000 0.403 360 V N 3.763 123.620 119.914 -0.095 0.000 2.495 360 V HA 0.917 5.038 4.120 0.001 0.000 0.298 360 V C 0.399 176.433 176.094 -0.100 0.000 1.031 360 V CA -0.176 62.076 62.300 -0.081 0.000 0.871 360 V CB 1.378 33.169 31.823 -0.053 0.000 0.988 360 V HN 0.876 nan 8.190 nan 0.000 0.432 361 G N 1.484 110.216 108.800 -0.114 0.000 2.619 361 G HA2 0.875 4.835 3.960 0.001 0.000 0.296 361 G HA3 0.875 4.835 3.960 0.001 0.000 0.296 361 G C -0.295 174.456 174.900 -0.249 0.000 1.334 361 G CA -0.107 44.892 45.100 -0.168 0.000 0.934 361 G HN 1.436 nan 8.290 nan 0.000 0.476 362 G N -0.582 107.848 108.800 -0.618 0.000 2.316 362 G HA2 0.405 4.365 3.960 0.001 0.000 0.349 362 G HA3 0.405 4.365 3.960 0.001 0.000 0.349 362 G C -0.520 173.919 174.900 -0.768 0.000 1.274 362 G CA -0.112 44.580 45.100 -0.680 0.000 1.018 362 G HN 1.250 nan 8.290 nan 0.000 0.486 363 Q N -0.301 119.370 119.800 -0.216 0.000 2.259 363 Q HA 0.682 5.023 4.340 0.001 0.000 0.249 363 Q C -0.318 175.725 176.000 0.072 0.000 0.914 363 Q CA -0.496 55.335 55.803 0.045 0.000 0.904 363 Q CB 1.984 30.877 28.738 0.258 0.000 1.213 363 Q HN 0.680 nan 8.270 nan 0.000 0.428 364 K N 2.289 122.788 120.400 0.164 0.000 2.378 364 K HA 0.265 4.586 4.320 0.001 0.000 0.252 364 K C -0.956 175.802 176.600 0.262 0.000 0.931 364 K CA -0.497 55.899 56.287 0.183 0.000 0.794 364 K CB 1.905 34.515 32.500 0.183 0.000 1.181 364 K HN 0.727 nan 8.250 nan 0.000 0.425 365 E N 1.095 121.400 120.200 0.175 0.000 2.392 365 E HA 0.159 4.509 4.350 0.001 0.000 0.259 365 E C 0.239 176.947 176.600 0.179 0.000 1.108 365 E CA 0.185 56.654 56.400 0.116 0.000 0.916 365 E CB 1.223 30.956 29.700 0.055 0.000 0.989 365 E HN 0.832 nan 8.360 nan 0.000 0.432 366 G N 0.351 109.087 108.800 -0.107 0.000 2.474 366 G HA2 0.598 4.559 3.960 0.001 0.000 0.182 366 G HA3 0.598 4.559 3.960 0.001 0.000 0.182 366 G C -0.653 173.873 174.900 -0.623 0.000 1.702 366 G CA 0.588 45.481 45.100 -0.345 0.000 0.708 366 G HN 0.662 nan 8.290 nan 0.000 0.753 367 A N -0.976 121.116 122.820 -1.213 0.000 2.568 367 A HA 0.754 5.075 4.320 0.001 0.000 0.291 367 A C -0.766 176.637 177.584 -0.301 0.000 1.159 367 A CA -0.679 51.019 52.037 -0.565 0.000 0.679 367 A CB 0.662 19.347 19.000 -0.526 0.000 1.285 367 A HN 0.398 nan 8.150 nan 0.000 0.428 368 R N -0.205 120.346 120.500 0.085 0.000 2.485 368 R HA 0.329 4.670 4.340 0.001 0.000 0.304 368 R C 1.361 177.752 176.300 0.152 0.000 0.934 368 R CA 2.554 58.736 56.100 0.136 0.000 1.102 368 R CB -0.353 30.035 30.300 0.146 0.000 0.906 368 R HN 2.212 nan 8.270 nan 0.000 0.407 369 G N 2.700 111.542 108.800 0.071 0.000 2.254 369 G HA2 -0.238 3.722 3.960 0.001 0.000 0.225 369 G HA3 -0.238 3.722 3.960 0.001 0.000 0.225 369 G C -0.264 174.737 174.900 0.169 0.000 1.003 369 G CA 0.077 45.265 45.100 0.147 0.000 0.622 369 G HN 0.725 nan 8.290 nan 0.000 0.507 370 F N -1.174 118.702 119.950 -0.123 0.000 2.654 370 F HA 0.890 5.417 4.527 0.001 0.000 0.308 370 F C -0.683 174.871 175.800 -0.409 0.000 1.108 370 F CA -1.634 56.152 58.000 -0.357 0.000 0.957 370 F CB 1.109 39.594 39.000 -0.859 0.000 1.309 370 F HN 0.156 nan 8.300 nan 0.000 0.446 371 M N 1.668 121.096 119.600 -0.288 0.000 2.779 371 M HA 0.634 5.114 4.480 0.001 0.000 0.277 371 M C -1.911 174.132 176.300 -0.428 0.000 1.284 371 M CA -0.653 54.465 55.300 -0.303 0.000 0.801 371 M CB 3.164 35.761 32.600 -0.005 0.000 1.712 371 M HN 0.683 nan 8.290 nan 0.000 0.453 372 F N -0.090 120.022 119.950 0.269 0.000 2.588 372 F HA 0.598 5.125 4.527 0.001 0.000 0.314 372 F C -0.968 175.039 175.800 0.346 0.000 1.069 372 F CA -0.646 57.552 58.000 0.330 0.000 0.931 372 F CB 1.546 40.707 39.000 0.269 0.000 1.260 372 F HN 0.267 nan 8.300 nan 0.000 0.465 373 F N 3.767 123.986 119.950 0.449 0.000 2.467 373 F HA 0.749 5.277 4.527 0.001 0.000 0.336 373 F C -0.741 175.294 175.800 0.392 0.000 1.123 373 F CA -1.110 57.111 58.000 0.369 0.000 0.964 373 F CB 1.049 40.241 39.000 0.320 0.000 1.136 373 F HN 0.339 nan 8.300 nan 0.000 0.447 374 I N 4.200 124.704 120.570 -0.110 0.000 2.740 374 I HA 0.669 4.840 4.170 0.001 0.000 0.303 374 I C -1.435 174.633 176.117 -0.082 0.000 1.044 374 I CA -0.927 60.377 61.300 0.006 0.000 1.064 374 I CB 2.126 40.133 38.000 0.012 0.000 1.249 374 I HN 0.439 nan 8.210 nan 0.000 0.433 375 I N 4.319 124.899 120.570 0.017 0.000 2.476 375 I HA 0.443 4.613 4.170 0.001 0.000 0.281 375 I C -1.062 175.014 176.117 -0.068 0.000 1.040 375 I CA -0.447 60.836 61.300 -0.027 0.000 1.094 375 I CB 1.148 39.158 38.000 0.016 0.000 1.219 375 I HN 0.543 nan 8.210 nan 0.000 0.450 376 N N 5.278 123.926 118.700 -0.087 0.000 2.361 376 N HA 0.690 5.430 4.740 0.001 0.000 0.302 376 N C -1.109 174.293 175.510 -0.181 0.000 1.074 376 N CA -0.544 52.415 53.050 -0.151 0.000 0.850 376 N CB 3.209 41.649 38.487 -0.078 0.000 1.228 376 N HN 0.219 nan 8.380 nan 0.000 0.491 377 V N 1.059 120.821 119.914 -0.252 0.000 2.971 377 V HA 0.291 4.411 4.120 0.001 0.000 0.309 377 V C -1.115 174.857 176.094 -0.203 0.000 1.130 377 V CA -0.817 61.376 62.300 -0.178 0.000 0.964 377 V CB 2.493 34.240 31.823 -0.127 0.000 1.029 377 V HN 0.820 nan 8.190 nan 0.000 0.427 378 D N 4.530 124.855 120.400 -0.125 0.000 2.388 378 D HA 0.508 5.149 4.640 0.001 0.000 0.254 378 D C -0.734 175.533 176.300 -0.056 0.000 1.111 378 D CA -0.308 53.634 54.000 -0.097 0.000 0.993 378 D CB 1.563 42.331 40.800 -0.053 0.000 1.118 378 D HN 0.381 nan 8.370 nan 0.000 0.502 379 L N -0.371 120.831 121.223 -0.035 0.000 2.370 379 L HA 0.400 4.741 4.340 0.001 0.000 0.266 379 L C 0.433 177.312 176.870 0.014 0.000 1.002 379 L CA -0.896 53.939 54.840 -0.008 0.000 0.818 379 L CB 2.328 44.372 42.059 -0.024 0.000 1.325 379 L HN 0.372 nan 8.230 nan 0.000 0.418 380 T N -0.099 114.483 114.554 0.045 0.000 2.918 380 T HA 0.149 4.500 4.350 0.001 0.000 0.283 380 T C 1.026 175.755 174.700 0.048 0.000 1.001 380 T CA -0.486 61.649 62.100 0.059 0.000 1.041 380 T CB 1.338 70.272 68.868 0.110 0.000 1.028 380 T HN 0.628 nan 8.240 nan 0.000 0.511 381 E N 1.176 121.401 120.200 0.041 0.000 2.070 381 E HA -0.212 4.138 4.350 0.001 0.000 0.197 381 E C 1.857 178.491 176.600 0.057 0.000 1.004 381 E CA 1.104 57.522 56.400 0.030 0.000 0.805 381 E CB 0.039 29.756 29.700 0.027 0.000 0.744 381 E HN 0.527 nan 8.360 nan 0.000 0.451 382 E N 0.349 120.613 120.200 0.107 0.000 2.058 382 E HA -0.155 4.195 4.350 0.001 0.000 0.194 382 E C 2.298 178.973 176.600 0.125 0.000 0.997 382 E CA 1.218 57.724 56.400 0.177 0.000 0.801 382 E CB -0.646 29.201 29.700 0.245 0.000 0.746 382 E HN 0.391 nan 8.360 nan 0.000 0.450 383 G N 1.635 110.495 108.800 0.099 0.000 2.476 383 G HA2 -0.285 3.675 3.960 0.001 0.000 0.218 383 G HA3 -0.285 3.675 3.960 0.001 0.000 0.218 383 G C 1.637 176.478 174.900 -0.099 0.000 1.164 383 G CA 1.101 46.168 45.100 -0.055 0.000 0.768 383 G HN 0.284 nan 8.290 nan 0.000 0.560 384 L N -0.091 121.110 121.223 -0.036 0.000 2.079 384 L HA 0.021 4.362 4.340 0.001 0.000 0.210 384 L C 2.283 179.120 176.870 -0.057 0.000 1.081 384 L CA 1.359 56.171 54.840 -0.047 0.000 0.752 384 L CB -0.369 41.655 42.059 -0.058 0.000 0.896 384 L HN 0.114 nan 8.230 nan 0.000 0.433 385 L N -0.884 120.313 121.223 -0.043 0.000 2.552 385 L HA -0.037 4.304 4.340 0.001 0.000 0.227 385 L C 1.386 178.093 176.870 -0.272 0.000 1.146 385 L CA 1.075 55.858 54.840 -0.096 0.000 0.858 385 L CB -1.097 40.946 42.059 -0.027 0.000 0.969 385 L HN 0.421 nan 8.230 nan 0.000 0.451 386 H N -2.140 116.746 119.070 -0.307 0.000 2.575 386 H HA 0.245 4.802 4.556 0.001 0.000 0.256 386 H C 1.682 176.725 175.328 -0.474 0.000 1.162 386 H CA -0.024 55.711 56.048 -0.522 0.000 0.969 386 H CB 0.961 30.039 29.762 -1.140 0.000 1.796 386 H HN -0.078 nan 8.280 nan 0.000 0.607 387 V N 0.678 120.497 119.914 -0.158 0.000 2.332 387 V HA -0.281 3.839 4.120 0.001 0.000 0.248 387 V C 2.493 178.615 176.094 0.047 0.000 1.055 387 V CA 2.264 64.530 62.300 -0.057 0.000 1.038 387 V CB -0.170 31.666 31.823 0.021 0.000 0.651 387 V HN 0.513 nan 8.190 nan 0.000 0.450 388 E N -0.176 120.090 120.200 0.110 0.000 2.085 388 E HA -0.281 4.070 4.350 0.001 0.000 0.194 388 E C 1.875 178.689 176.600 0.358 0.000 0.994 388 E CA 1.725 58.315 56.400 0.316 0.000 0.801 388 E CB -0.100 29.722 29.700 0.203 0.000 0.743 388 E HN 0.627 nan 8.360 nan 0.000 0.453 389 D N 0.296 120.794 120.400 0.164 0.000 2.117 389 D HA -0.136 4.505 4.640 0.001 0.000 0.198 389 D C 2.112 178.605 176.300 0.322 0.000 0.982 389 D CA 0.903 55.058 54.000 0.258 0.000 0.828 389 D CB -0.180 40.712 40.800 0.154 0.000 0.967 389 D HN 0.327 nan 8.370 nan 0.000 0.464 390 I N 1.074 121.663 120.570 0.033 0.000 2.163 390 I HA -0.265 3.905 4.170 0.001 0.000 0.243 390 I C 2.447 178.634 176.117 0.118 0.000 1.085 390 I CA 0.941 62.300 61.300 0.100 0.000 1.347 390 I CB -0.190 37.797 38.000 -0.023 0.000 1.044 390 I HN -0.036 nan 8.210 nan 0.000 0.408 391 I N 0.016 120.595 120.570 0.014 0.000 2.315 391 I HA -0.282 3.889 4.170 0.001 0.000 0.248 391 I C 2.537 178.553 176.117 -0.168 0.000 1.117 391 I CA 1.035 62.182 61.300 -0.255 0.000 1.404 391 I CB -0.306 37.355 38.000 -0.566 0.000 1.071 391 I HN 0.289 nan 8.210 nan 0.000 0.419 392 L N 0.542 121.875 121.223 0.183 0.000 1.990 392 L HA -0.315 4.025 4.340 0.001 0.000 0.213 392 L C 2.698 179.753 176.870 0.309 0.000 1.072 392 L CA 2.135 57.204 54.840 0.381 0.000 0.755 392 L CB -0.641 41.709 42.059 0.484 0.000 0.889 392 L HN 0.311 nan 8.230 nan 0.000 0.432 393 H N -0.956 118.278 119.070 0.273 0.000 2.352 393 H HA -0.206 4.351 4.556 0.001 0.000 0.299 393 H C 2.279 177.681 175.328 0.124 0.000 1.097 393 H CA 2.050 58.299 56.048 0.334 0.000 1.311 393 H CB -0.169 29.853 29.762 0.434 0.000 1.377 393 H HN 0.303 nan 8.280 nan 0.000 0.504 394 M N -0.913 118.733 119.600 0.077 0.000 2.080 394 M HA -0.177 4.303 4.480 0.001 0.000 0.260 394 M C 1.488 177.685 176.300 -0.172 0.000 1.068 394 M CA 1.558 56.761 55.300 -0.162 0.000 1.109 394 M CB -0.263 32.112 32.600 -0.376 0.000 1.342 394 M HN 0.191 nan 8.290 nan 0.000 0.405 395 F N 0.478 120.441 119.950 0.021 0.000 2.259 395 F HA -0.147 4.380 4.527 0.001 0.000 0.298 395 F C 2.545 178.372 175.800 0.045 0.000 1.088 395 F CA 1.129 59.148 58.000 0.031 0.000 1.358 395 F CB -0.782 38.238 39.000 0.033 0.000 1.040 395 F HN 0.198 nan 8.300 nan 0.000 0.505 396 Q N -1.146 118.796 119.800 0.237 0.000 2.096 396 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 396 Q C 2.091 178.131 176.000 0.067 0.000 0.982 396 Q CA 2.007 57.922 55.803 0.187 0.000 0.850 396 Q CB -0.558 28.342 28.738 0.270 0.000 0.901 396 Q HN 0.515 nan 8.270 nan 0.000 0.422 397 Y N 0.875 121.012 120.300 -0.273 0.000 2.181 397 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 397 Y C 1.881 177.667 175.900 -0.189 0.000 1.146 397 Y CA 1.369 59.176 58.100 -0.488 0.000 1.164 397 Y CB -0.038 37.950 38.460 -0.787 0.000 0.982 397 Y HN 0.034 nan 8.280 nan 0.000 0.515 398 I N -0.212 120.372 120.570 0.022 0.000 2.208 398 I HA -0.343 3.828 4.170 0.001 0.000 0.245 398 I C 2.428 178.524 176.117 -0.035 0.000 1.097 398 I CA 1.183 62.487 61.300 0.007 0.000 1.363 398 I CB -0.468 37.569 38.000 0.061 0.000 1.051 398 I HN 0.267 nan 8.210 nan 0.000 0.413 399 Q N 0.870 120.677 119.800 0.012 0.000 2.096 399 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 399 Q C 2.135 178.111 176.000 -0.040 0.000 0.982 399 Q CA 1.690 57.499 55.803 0.010 0.000 0.850 399 Q CB -0.324 28.450 28.738 0.059 0.000 0.901 399 Q HN 0.317 nan 8.270 nan 0.000 0.422 400 K N 0.526 120.866 120.400 -0.102 0.000 2.074 400 K HA -0.116 4.204 4.320 0.001 0.000 0.209 400 K C 2.060 178.570 176.600 -0.150 0.000 1.048 400 K CA 1.201 57.405 56.287 -0.139 0.000 0.926 400 K CB -0.407 31.939 32.500 -0.257 0.000 0.713 400 K HN 0.197 nan 8.250 nan 0.000 0.444 401 L N -0.207 120.894 121.223 -0.203 0.000 2.093 401 L HA -0.090 4.250 4.340 0.001 0.000 0.208 401 L C 2.643 179.493 176.870 -0.034 0.000 1.085 401 L CA 1.210 55.984 54.840 -0.111 0.000 0.755 401 L CB -0.433 41.571 42.059 -0.092 0.000 0.904 401 L HN 0.190 nan 8.230 nan 0.000 0.435 402 R N 0.234 120.711 120.500 -0.038 0.000 2.083 402 R HA -0.167 4.174 4.340 0.001 0.000 0.237 402 R C 2.406 178.701 176.300 -0.009 0.000 1.137 402 R CA 1.605 57.693 56.100 -0.020 0.000 0.951 402 R CB -0.433 29.856 30.300 -0.019 0.000 0.851 402 R HN 0.354 nan 8.270 nan 0.000 0.434 403 A N 0.782 123.597 122.820 -0.009 0.000 2.015 403 A HA -0.126 4.194 4.320 0.001 0.000 0.219 403 A C 1.743 179.335 177.584 0.014 0.000 1.163 403 A CA 1.203 53.242 52.037 0.003 0.000 0.646 403 A CB -0.093 18.911 19.000 0.006 0.000 0.806 403 A HN 0.204 nan 8.150 nan 0.000 0.448 404 E N -0.877 119.333 120.200 0.016 0.000 2.190 404 E HA 0.241 4.591 4.350 0.001 0.000 0.191 404 E C 1.177 177.812 176.600 0.059 0.000 0.978 404 E CA 0.739 57.165 56.400 0.043 0.000 0.839 404 E CB -0.415 29.316 29.700 0.052 0.000 0.787 404 E HN 0.708 nan 8.360 nan 0.000 0.473 405 G N 2.645 111.473 108.800 0.048 0.000 2.785 405 G HA2 -0.192 3.769 3.960 0.001 0.000 0.685 405 G HA3 -0.192 3.769 3.960 0.001 0.000 0.685 405 G C -2.605 172.357 174.900 0.103 0.000 1.480 405 G CA -0.780 44.351 45.100 0.051 0.000 0.915 405 G HN -0.057 nan 8.290 nan 0.000 0.576 406 P HA 0.058 nan 4.420 nan 0.000 0.259 406 P C -0.201 177.260 177.300 0.268 0.000 1.163 406 P CA 0.639 63.829 63.100 0.151 0.000 0.760 406 P CB 0.407 32.114 31.700 0.011 0.000 0.762 407 Q N 2.777 122.740 119.800 0.272 0.000 2.430 407 Q HA 0.066 4.407 4.340 0.001 0.000 0.245 407 Q C 1.056 176.920 176.000 -0.228 0.000 1.021 407 Q CA -0.105 55.738 55.803 0.068 0.000 0.867 407 Q CB 1.203 29.910 28.738 -0.053 0.000 1.210 407 Q HN 0.543 nan 8.270 nan 0.000 0.487 408 E N 4.303 124.302 120.200 -0.335 0.000 2.118 408 E HA -0.171 4.179 4.350 0.001 0.000 0.195 408 E C 1.416 177.830 176.600 -0.309 0.000 0.992 408 E CA 1.618 57.557 56.400 -0.769 0.000 0.804 408 E CB 0.110 29.543 29.700 -0.445 0.000 0.741 408 E HN 0.769 nan 8.360 nan 0.000 0.458 409 W N 0.078 121.315 121.300 -0.106 0.000 2.374 409 W HA -0.119 4.541 4.660 0.001 0.000 0.288 409 W C 1.444 177.962 176.519 -0.001 0.000 1.218 409 W CA 0.650 57.975 57.345 -0.034 0.000 1.245 409 W CB -0.989 28.467 29.460 -0.006 0.000 1.126 409 W HN -0.067 nan 8.180 nan 0.000 0.545 410 V N 1.717 121.055 119.914 -0.960 0.000 2.261 410 V HA -0.319 3.801 4.120 0.001 0.000 0.246 410 V C 2.379 178.305 176.094 -0.281 0.000 1.047 410 V CA 2.461 64.273 62.300 -0.812 0.000 1.015 410 V CB -1.433 29.898 31.823 -0.821 0.000 0.642 410 V HN 0.147 nan 8.190 nan 0.000 0.446 411 F N 1.012 120.799 119.950 -0.271 0.000 2.095 411 F HA -0.278 4.249 4.527 0.001 0.000 0.298 411 F C 2.604 178.335 175.800 -0.115 0.000 1.104 411 F CA 2.360 60.279 58.000 -0.134 0.000 1.232 411 F CB -0.323 38.510 39.000 -0.279 0.000 0.987 411 F HN 0.130 nan 8.300 nan 0.000 0.475 412 Q N 0.959 120.777 119.800 0.030 0.000 2.135 412 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 412 Q C 2.180 178.148 176.000 -0.053 0.000 0.981 412 Q CA 2.234 58.045 55.803 0.015 0.000 0.856 412 Q CB -0.555 28.240 28.738 0.096 0.000 0.902 412 Q HN 0.672 nan 8.270 nan 0.000 0.425 413 E N -0.704 119.473 120.200 -0.038 0.000 2.051 413 E HA -0.174 4.177 4.350 0.001 0.000 0.192 413 E C 1.958 178.500 176.600 -0.096 0.000 0.991 413 E CA 1.176 57.569 56.400 -0.012 0.000 0.799 413 E CB -0.167 29.564 29.700 0.052 0.000 0.748 413 E HN 0.423 nan 8.360 nan 0.000 0.449 414 L N 0.975 122.069 121.223 -0.214 0.000 2.042 414 L HA -0.231 4.109 4.340 0.001 0.000 0.210 414 L C 2.814 179.558 176.870 -0.210 0.000 1.076 414 L CA 1.347 56.048 54.840 -0.232 0.000 0.749 414 L CB -0.438 41.441 42.059 -0.300 0.000 0.893 414 L HN 0.110 nan 8.230 nan 0.000 0.432 415 K N 0.019 120.217 120.400 -0.336 0.000 2.009 415 K HA -0.223 4.097 4.320 0.001 0.000 0.210 415 K C 1.718 178.254 176.600 -0.108 0.000 1.049 415 K CA 1.972 58.093 56.287 -0.276 0.000 0.929 415 K CB -0.128 32.183 32.500 -0.315 0.000 0.714 415 K HN 0.312 nan 8.250 nan 0.000 0.440 416 D N 0.818 121.178 120.400 -0.066 0.000 2.178 416 D HA -0.129 4.511 4.640 0.001 0.000 0.202 416 D C 2.055 178.365 176.300 0.017 0.000 0.974 416 D CA 0.723 54.719 54.000 -0.007 0.000 0.841 416 D CB -0.023 40.789 40.800 0.021 0.000 0.953 416 D HN 0.232 nan 8.370 nan 0.000 0.478 417 L N 0.771 122.004 121.223 0.017 0.000 2.027 417 L HA -0.163 4.177 4.340 0.001 0.000 0.206 417 L C 2.120 179.046 176.870 0.093 0.000 1.074 417 L CA 0.811 55.687 54.840 0.059 0.000 0.745 417 L CB -0.351 41.737 42.059 0.049 0.000 0.898 417 L HN -0.049 nan 8.230 nan 0.000 0.433 418 N N 0.346 119.086 118.700 0.068 0.000 2.094 418 N HA -0.197 4.543 4.740 0.001 0.000 0.191 418 N C 1.793 177.395 175.510 0.153 0.000 1.023 418 N CA 1.606 54.736 53.050 0.134 0.000 0.857 418 N CB -0.376 38.142 38.487 0.053 0.000 1.013 418 N HN 0.339 nan 8.380 nan 0.000 0.426 419 A N 0.423 123.277 122.820 0.057 0.000 1.883 419 A HA -0.116 4.204 4.320 0.001 0.000 0.217 419 A C 2.434 180.010 177.584 -0.014 0.000 1.186 419 A CA 1.965 54.016 52.037 0.023 0.000 0.624 419 A CB -0.965 18.025 19.000 -0.016 0.000 0.822 419 A HN 0.223 nan 8.150 nan 0.000 0.444 420 V N -1.006 118.900 119.914 -0.013 0.000 2.488 420 V HA 0.044 4.164 4.120 0.001 0.000 0.246 420 V C 2.505 178.660 176.094 0.101 0.000 1.046 420 V CA 1.904 64.162 62.300 -0.070 0.000 1.053 420 V CB -0.879 30.906 31.823 -0.063 0.000 0.679 420 V HN 0.595 nan 8.190 nan 0.000 0.458 421 A N 0.148 123.103 122.820 0.224 0.000 1.873 421 A HA -0.248 4.072 4.320 0.001 0.000 0.218 421 A C 2.153 179.848 177.584 0.184 0.000 1.193 421 A CA 2.386 54.627 52.037 0.340 0.000 0.629 421 A CB -1.170 18.082 19.000 0.420 0.000 0.826 421 A HN 0.750 nan 8.150 nan 0.000 0.447 422 F N 0.257 120.118 119.950 -0.148 0.000 2.171 422 F HA -0.122 4.406 4.527 0.001 0.000 0.300 422 F C 2.423 177.965 175.800 -0.430 0.000 1.090 422 F CA 1.810 59.464 58.000 -0.577 0.000 1.293 422 F CB -0.278 38.370 39.000 -0.585 0.000 1.013 422 F HN 0.123 nan 8.300 nan 0.000 0.486 423 R N -0.838 119.378 120.500 -0.473 0.000 2.073 423 R HA -0.160 4.180 4.340 0.001 0.000 0.234 423 R C 1.171 177.015 176.300 -0.759 0.000 1.134 423 R CA 1.666 57.294 56.100 -0.788 0.000 0.952 423 R CB -0.475 29.146 30.300 -1.132 0.000 0.850 423 R HN 0.292 nan 8.270 nan 0.000 0.433 424 F N 1.268 121.116 119.950 -0.169 0.000 2.684 424 F HA 0.181 4.708 4.527 0.001 0.000 0.298 424 F C 0.109 175.851 175.800 -0.096 0.000 1.120 424 F CA -0.570 57.382 58.000 -0.080 0.000 1.332 424 F CB -0.048 39.006 39.000 0.090 0.000 0.986 424 F HN -0.155 nan 8.300 nan 0.000 0.524 425 K N -0.371 119.981 120.400 -0.079 0.000 2.414 425 K HA 0.116 4.436 4.320 0.001 0.000 0.272 425 K C -0.396 176.136 176.600 -0.115 0.000 0.993 425 K CA -0.481 55.754 56.287 -0.087 0.000 0.964 425 K CB 0.575 32.975 32.500 -0.166 0.000 0.925 425 K HN -0.107 nan 8.250 nan 0.000 0.487 426 D N 1.714 122.041 120.400 -0.122 0.000 2.382 426 D HA -0.007 4.633 4.640 0.001 0.000 0.240 426 D C -0.297 175.882 176.300 -0.200 0.000 1.146 426 D CA -0.053 53.837 54.000 -0.183 0.000 0.897 426 D CB 0.801 41.474 40.800 -0.211 0.000 1.197 426 D HN 0.461 nan 8.370 nan 0.000 0.432 427 K N 1.687 121.959 120.400 -0.213 0.000 2.383 427 K HA 0.038 4.358 4.320 0.001 0.000 0.286 427 K C -0.362 176.090 176.600 -0.247 0.000 1.051 427 K CA -0.311 55.842 56.287 -0.224 0.000 0.974 427 K CB 0.372 32.789 32.500 -0.139 0.000 0.968 427 K HN 0.155 nan 8.250 nan 0.000 0.475 428 E N 2.947 122.937 120.200 -0.351 0.000 2.390 428 E HA 0.094 4.444 4.350 0.001 0.000 0.261 428 E C -0.352 176.131 176.600 -0.195 0.000 1.076 428 E CA -0.300 55.926 56.400 -0.289 0.000 0.905 428 E CB 0.480 29.934 29.700 -0.409 0.000 0.984 428 E HN 0.370 nan 8.360 nan 0.000 0.427 429 R N 3.281 123.723 120.500 -0.096 0.000 2.489 429 R HA 0.020 4.361 4.340 0.001 0.000 0.287 429 R C -1.596 174.711 176.300 0.011 0.000 1.053 429 R CA -1.085 54.992 56.100 -0.039 0.000 1.036 429 R CB -0.011 30.276 30.300 -0.021 0.000 0.966 429 R HN 0.512 nan 8.270 nan 0.000 0.432 430 P HA -0.226 nan 4.420 nan 0.000 0.216 430 P C 1.150 178.483 177.300 0.054 0.000 1.153 430 P CA 1.361 64.506 63.100 0.074 0.000 0.858 430 P CB 0.109 31.829 31.700 0.034 0.000 0.789 431 R N 0.122 120.629 120.500 0.012 0.000 2.070 431 R HA -0.080 4.260 4.340 0.001 0.000 0.233 431 R C 2.636 178.886 176.300 -0.083 0.000 1.137 431 R CA 2.140 58.227 56.100 -0.021 0.000 0.945 431 R CB -1.307 29.011 30.300 0.031 0.000 0.845 431 R HN 0.164 nan 8.270 nan 0.000 0.430 432 G N -0.732 108.027 108.800 -0.068 0.000 2.422 432 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 432 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 432 G C 1.178 176.086 174.900 0.013 0.000 1.140 432 G CA 0.562 45.603 45.100 -0.099 0.000 0.775 432 G HN 0.404 nan 8.290 nan 0.000 0.545 433 Y N 2.655 122.911 120.300 -0.073 0.000 2.184 433 Y HA -0.143 4.408 4.550 0.001 0.000 0.290 433 Y C 3.185 179.069 175.900 -0.026 0.000 1.129 433 Y CA 1.869 59.950 58.100 -0.032 0.000 1.144 433 Y CB -0.684 37.770 38.460 -0.010 0.000 0.995 433 Y HN 0.288 nan 8.280 nan 0.000 0.513 434 T N -2.769 111.760 114.554 -0.042 0.000 2.674 434 T HA -0.235 4.116 4.350 0.001 0.000 0.265 434 T C 2.272 176.921 174.700 -0.085 0.000 1.039 434 T CA 1.679 63.705 62.100 -0.123 0.000 1.150 434 T CB -1.244 67.553 68.868 -0.118 0.000 0.864 434 T HN 0.323 nan 8.240 nan 0.000 0.427 435 S N 1.749 117.416 115.700 -0.055 0.000 2.359 435 S HA -0.264 4.206 4.470 0.001 0.000 0.223 435 S C 2.191 176.806 174.600 0.025 0.000 1.039 435 S CA 2.234 60.436 58.200 0.003 0.000 1.042 435 S CB -0.603 62.469 63.200 -0.213 0.000 0.915 435 S HN 0.694 nan 8.310 nan 0.000 0.439 436 K N 0.230 120.621 120.400 -0.015 0.000 2.026 436 K HA -0.030 4.290 4.320 0.001 0.000 0.208 436 K C 2.120 178.705 176.600 -0.026 0.000 1.048 436 K CA 1.858 58.147 56.287 0.003 0.000 0.929 436 K CB -0.381 32.126 32.500 0.012 0.000 0.713 436 K HN 0.513 nan 8.250 nan 0.000 0.439 437 I N 0.982 121.490 120.570 -0.103 0.000 2.226 437 I HA -0.245 3.926 4.170 0.001 0.000 0.245 437 I C 2.427 178.498 176.117 -0.077 0.000 1.100 437 I CA 1.101 62.322 61.300 -0.131 0.000 1.374 437 I CB -0.383 37.451 38.000 -0.277 0.000 1.057 437 I HN 0.301 nan 8.210 nan 0.000 0.413 438 A N 0.913 123.693 122.820 -0.066 0.000 1.958 438 A HA -0.221 4.099 4.320 0.001 0.000 0.221 438 A C 2.402 179.989 177.584 0.005 0.000 1.178 438 A CA 2.169 54.181 52.037 -0.042 0.000 0.642 438 A CB -1.476 17.532 19.000 0.014 0.000 0.816 438 A HN 0.501 nan 8.150 nan 0.000 0.453 439 G N 0.404 109.227 108.800 0.038 0.000 2.402 439 G HA2 -0.104 3.856 3.960 0.001 0.000 0.216 439 G HA3 -0.104 3.856 3.960 0.001 0.000 0.216 439 G C 1.488 176.468 174.900 0.133 0.000 1.162 439 G CA 1.127 46.250 45.100 0.038 0.000 0.777 439 G HN 0.942 nan 8.290 nan 0.000 0.539 440 I N -1.915 118.726 120.570 0.118 0.000 3.226 440 I HA 0.278 4.448 4.170 0.001 0.000 0.277 440 I C 2.124 178.399 176.117 0.264 0.000 1.243 440 I CA 0.277 61.731 61.300 0.257 0.000 1.459 440 I CB -0.052 38.083 38.000 0.224 0.000 1.093 440 I HN -0.007 nan 8.210 nan 0.000 0.453 441 L N 0.974 122.231 121.223 0.057 0.000 2.349 441 L HA -0.147 4.194 4.340 0.001 0.000 0.220 441 L C 2.234 179.022 176.870 -0.136 0.000 1.130 441 L CA 0.858 55.660 54.840 -0.063 0.000 0.791 441 L CB -0.853 41.093 42.059 -0.188 0.000 0.918 441 L HN 0.430 nan 8.230 nan 0.000 0.444 442 H N -2.153 116.926 119.070 0.015 0.000 2.551 442 H HA -0.007 4.550 4.556 0.001 0.000 0.266 442 H C 0.936 175.992 175.328 -0.453 0.000 0.977 442 H CA 0.944 56.894 56.048 -0.162 0.000 1.163 442 H CB 0.382 30.046 29.762 -0.164 0.000 1.381 442 H HN 0.425 nan 8.280 nan 0.000 0.581 443 Y N -1.884 118.316 120.300 -0.167 0.000 2.423 443 Y HA 0.147 4.697 4.550 0.001 0.000 0.257 443 Y C -0.272 175.081 175.900 -0.911 0.000 1.087 443 Y CA -0.304 57.446 58.100 -0.584 0.000 1.258 443 Y CB 0.876 38.795 38.460 -0.901 0.000 1.237 443 Y HN -0.084 nan 8.280 nan 0.000 0.517 444 Y N 0.078 120.382 120.300 0.007 0.000 2.477 444 Y HA 0.528 5.078 4.550 0.001 0.000 0.347 444 Y C -2.564 173.314 175.900 -0.038 0.000 0.981 444 Y CA -3.895 54.159 58.100 -0.076 0.000 1.033 444 Y CB 0.760 39.130 38.460 -0.150 0.000 1.245 444 Y HN -0.234 nan 8.280 nan 0.000 0.455 445 P HA 0.075 nan 4.420 nan 0.000 0.266 445 P C 0.799 178.133 177.300 0.058 0.000 1.193 445 P CA 0.125 63.272 63.100 0.079 0.000 0.770 445 P CB 0.800 32.554 31.700 0.090 0.000 0.836 446 L N 1.563 122.802 121.223 0.027 0.000 2.064 446 L HA -0.280 4.060 4.340 0.001 0.000 0.216 446 L C 1.861 178.732 176.870 0.003 0.000 1.077 446 L CA 1.840 56.686 54.840 0.009 0.000 0.766 446 L CB -0.874 41.190 42.059 0.008 0.000 0.890 446 L HN 0.406 nan 8.230 nan 0.000 0.435 447 E N -0.040 120.169 120.200 0.015 0.000 2.208 447 E HA -0.144 4.206 4.350 0.001 0.000 0.193 447 E C 1.761 178.338 176.600 -0.037 0.000 0.988 447 E CA 0.793 57.193 56.400 0.000 0.000 0.828 447 E CB -0.021 29.695 29.700 0.025 0.000 0.763 447 E HN 0.500 nan 8.360 nan 0.000 0.478 448 E N 0.044 120.232 120.200 -0.020 0.000 2.474 448 E HA -0.022 4.328 4.350 0.001 0.000 0.195 448 E C 1.703 178.216 176.600 -0.145 0.000 1.039 448 E CA 0.290 56.653 56.400 -0.061 0.000 0.881 448 E CB 0.476 30.185 29.700 0.016 0.000 0.970 448 E HN 0.212 nan 8.360 nan 0.000 0.486 449 V N -1.062 118.790 119.914 -0.104 0.000 2.427 449 V HA -0.209 3.911 4.120 0.001 0.000 0.248 449 V C 1.945 177.933 176.094 -0.177 0.000 1.051 449 V CA 1.064 63.290 62.300 -0.124 0.000 1.048 449 V CB -0.392 31.396 31.823 -0.057 0.000 0.666 449 V HN 0.160 nan 8.190 nan 0.000 0.456 450 L N 1.747 122.869 121.223 -0.168 0.000 2.217 450 L HA -0.004 4.336 4.340 0.001 0.000 0.211 450 L C 2.712 179.525 176.870 -0.097 0.000 1.107 450 L CA 2.360 57.143 54.840 -0.094 0.000 0.783 450 L CB -1.123 40.853 42.059 -0.138 0.000 0.919 450 L HN 0.742 nan 8.230 nan 0.000 0.442 451 T N -5.217 109.154 114.554 -0.304 0.000 3.037 451 T HA 0.170 4.520 4.350 0.001 0.000 0.252 451 T C 1.920 176.367 174.700 -0.422 0.000 1.073 451 T CA 0.496 62.231 62.100 -0.608 0.000 1.091 451 T CB -0.120 68.403 68.868 -0.575 0.000 0.935 451 T HN 0.106 nan 8.240 nan 0.000 0.488 452 A N 2.375 124.926 122.820 -0.449 0.000 1.883 452 A HA -0.085 4.236 4.320 0.001 0.000 0.217 452 A C 2.029 179.285 177.584 -0.546 0.000 1.186 452 A CA 1.406 53.026 52.037 -0.695 0.000 0.624 452 A CB -0.698 17.336 19.000 -1.610 0.000 0.822 452 A HN 0.626 nan 8.150 nan 0.000 0.444 453 E N -2.570 117.387 120.200 -0.405 0.000 2.365 453 E HA 0.068 4.418 4.350 0.001 0.000 0.188 453 E C 0.036 176.496 176.600 -0.234 0.000 1.102 453 E CA 0.058 56.308 56.400 -0.250 0.000 0.927 453 E CB 0.009 29.597 29.700 -0.187 0.000 1.073 453 E HN 0.781 nan 8.360 nan 0.000 0.467 454 Y N -1.071 119.076 120.300 -0.255 0.000 2.728 454 Y HA 0.227 4.778 4.550 0.001 0.000 0.267 454 Y C 0.076 175.831 175.900 -0.242 0.000 1.169 454 Y CA -0.021 57.941 58.100 -0.230 0.000 1.168 454 Y CB 1.055 39.336 38.460 -0.299 0.000 1.370 454 Y HN -0.139 nan 8.280 nan 0.000 0.482 455 L N 2.030 123.194 121.223 -0.099 0.000 2.298 455 L HA 0.415 4.756 4.340 0.001 0.000 0.284 455 L C -0.992 175.850 176.870 -0.048 0.000 1.013 455 L CA -0.495 54.278 54.840 -0.112 0.000 0.824 455 L CB 1.409 43.340 42.059 -0.214 0.000 1.221 455 L HN -0.054 nan 8.230 nan 0.000 0.418 456 L N 3.071 124.267 121.223 -0.044 0.000 2.452 456 L HA 0.219 4.559 4.340 0.001 0.000 0.267 456 L C 0.983 177.900 176.870 0.078 0.000 1.188 456 L CA 0.181 55.035 54.840 0.023 0.000 0.821 456 L CB 0.615 42.589 42.059 -0.142 0.000 1.102 456 L HN 0.657 nan 8.230 nan 0.000 0.470 457 E N 0.760 121.091 120.200 0.218 0.000 3.249 457 E HA 0.083 4.433 4.350 0.001 0.000 0.184 457 E C -0.243 176.542 176.600 0.309 0.000 1.163 457 E CA 0.104 56.622 56.400 0.197 0.000 1.353 457 E CB 0.429 30.185 29.700 0.093 0.000 1.466 457 E HN 0.698 nan 8.360 nan 0.000 0.502 458 E N 1.156 121.499 120.200 0.237 0.000 2.195 458 E HA 0.241 4.592 4.350 0.001 0.000 0.271 458 E C -1.042 175.463 176.600 -0.158 0.000 0.923 458 E CA -0.670 55.787 56.400 0.096 0.000 0.790 458 E CB 1.508 31.211 29.700 0.004 0.000 1.155 458 E HN -0.100 nan 8.360 nan 0.000 0.402 459 F N 3.943 123.472 119.950 -0.700 0.000 2.444 459 F HA 0.280 4.807 4.527 0.001 0.000 0.360 459 F C -0.332 175.114 175.800 -0.591 0.000 1.106 459 F CA -0.897 56.362 58.000 -1.235 0.000 1.170 459 F CB 0.489 38.792 39.000 -1.161 0.000 1.113 459 F HN 0.341 nan 8.300 nan 0.000 0.521 460 R N 8.068 128.028 120.500 -0.901 0.000 2.423 460 R HA 0.221 4.561 4.340 0.001 0.000 0.293 460 R C -2.137 173.603 176.300 -0.933 0.000 1.196 460 R CA -1.621 54.030 56.100 -0.748 0.000 1.262 460 R CB 0.761 30.799 30.300 -0.435 0.000 1.116 460 R HN 0.406 nan 8.270 nan 0.000 0.566 461 P HA -0.197 nan 4.420 nan 0.000 0.219 461 P C 0.874 177.880 177.300 -0.489 0.000 1.146 461 P CA 1.257 63.831 63.100 -0.877 0.000 0.808 461 P CB 0.271 31.581 31.700 -0.651 0.000 0.779 462 D N -0.440 119.711 120.400 -0.416 0.000 2.149 462 D HA -0.109 4.532 4.640 0.001 0.000 0.201 462 D C 1.877 178.005 176.300 -0.287 0.000 0.972 462 D CA 0.975 54.801 54.000 -0.289 0.000 0.835 462 D CB -0.877 39.778 40.800 -0.241 0.000 0.966 462 D HN 0.217 nan 8.370 nan 0.000 0.476 463 L N 0.293 121.301 121.223 -0.359 0.000 2.072 463 L HA -0.018 4.322 4.340 0.001 0.000 0.205 463 L C 2.866 179.564 176.870 -0.288 0.000 1.079 463 L CA 0.484 55.095 54.840 -0.381 0.000 0.752 463 L CB -0.361 41.379 42.059 -0.531 0.000 0.906 463 L HN -0.094 nan 8.230 nan 0.000 0.436 464 I N 0.045 120.434 120.570 -0.301 0.000 2.194 464 I HA -0.335 3.835 4.170 0.001 0.000 0.246 464 I C 2.579 178.594 176.117 -0.169 0.000 1.093 464 I CA 1.558 62.721 61.300 -0.229 0.000 1.355 464 I CB -0.235 37.543 38.000 -0.371 0.000 1.046 464 I HN 0.331 nan 8.210 nan 0.000 0.413 465 E N 0.377 120.465 120.200 -0.187 0.000 2.208 465 E HA -0.211 4.139 4.350 0.001 0.000 0.193 465 E C 2.227 178.751 176.600 -0.125 0.000 0.988 465 E CA 0.596 56.913 56.400 -0.137 0.000 0.828 465 E CB 0.045 29.666 29.700 -0.133 0.000 0.763 465 E HN 0.364 nan 8.360 nan 0.000 0.478 466 M N 0.580 120.094 119.600 -0.143 0.000 2.175 466 M HA -0.125 4.355 4.480 0.001 0.000 0.264 466 M C 1.866 178.108 176.300 -0.097 0.000 1.063 466 M CA 1.265 56.496 55.300 -0.115 0.000 1.119 466 M CB -0.070 32.448 32.600 -0.137 0.000 1.377 466 M HN 0.034 nan 8.290 nan 0.000 0.415 467 V N 0.693 120.539 119.914 -0.113 0.000 2.346 467 V HA -0.217 3.903 4.120 0.001 0.000 0.244 467 V C 2.455 178.435 176.094 -0.189 0.000 1.037 467 V CA 1.004 63.235 62.300 -0.115 0.000 1.029 467 V CB -0.925 30.844 31.823 -0.090 0.000 0.663 467 V HN 0.430 nan 8.190 nan 0.000 0.454 468 L N 0.873 121.987 121.223 -0.182 0.000 2.127 468 L HA -0.200 4.140 4.340 0.001 0.000 0.211 468 L C 1.949 178.714 176.870 -0.175 0.000 1.089 468 L CA 2.159 56.878 54.840 -0.202 0.000 0.757 468 L CB -0.881 41.105 42.059 -0.122 0.000 0.899 468 L HN 0.400 nan 8.230 nan 0.000 0.434 469 D N -1.337 118.989 120.400 -0.125 0.000 2.263 469 D HA -0.161 4.480 4.640 0.001 0.000 0.208 469 D C 1.867 178.115 176.300 -0.087 0.000 0.971 469 D CA 0.746 54.693 54.000 -0.090 0.000 0.867 469 D CB 0.201 40.962 40.800 -0.065 0.000 0.929 469 D HN 0.139 nan 8.370 nan 0.000 0.492 470 K N -0.382 119.949 120.400 -0.115 0.000 2.305 470 K HA 0.048 4.368 4.320 0.001 0.000 0.199 470 K C 0.153 176.641 176.600 -0.186 0.000 1.047 470 K CA 0.085 56.322 56.287 -0.084 0.000 0.976 470 K CB 0.175 32.651 32.500 -0.041 0.000 0.765 470 K HN 0.171 nan 8.250 nan 0.000 0.474 471 L N 2.626 123.604 121.223 -0.408 0.000 2.384 471 L HA 0.116 4.456 4.340 0.001 0.000 0.258 471 L C 0.014 176.710 176.870 -0.290 0.000 1.266 471 L CA 0.648 54.975 54.840 -0.855 0.000 1.162 471 L CB -0.862 40.673 42.059 -0.874 0.000 1.375 471 L HN -0.063 nan 8.230 nan 0.000 0.420 472 R N 1.708 122.206 120.500 -0.004 0.000 2.795 472 R HA 0.394 4.734 4.340 0.001 0.000 0.275 472 R C -1.745 174.688 176.300 0.222 0.000 0.981 472 R CA -1.675 54.483 56.100 0.096 0.000 0.917 472 R CB 1.539 31.850 30.300 0.020 0.000 1.202 472 R HN -0.063 nan 8.270 nan 0.000 0.469 473 P HA -0.174 nan 4.420 nan 0.000 0.216 473 P C 0.086 177.489 177.300 0.172 0.000 1.150 473 P CA 1.323 64.414 63.100 -0.014 0.000 0.837 473 P CB 0.297 31.911 31.700 -0.143 0.000 0.786 474 E N -1.305 118.958 120.200 0.105 0.000 2.463 474 E HA -0.144 4.206 4.350 0.001 0.000 0.201 474 E C 1.215 177.900 176.600 0.142 0.000 1.045 474 E CA 0.786 57.247 56.400 0.102 0.000 0.872 474 E CB -0.833 28.904 29.700 0.061 0.000 0.797 474 E HN 0.230 nan 8.360 nan 0.000 0.538 475 N N -0.050 118.784 118.700 0.222 0.000 2.238 475 N HA 0.065 4.805 4.740 0.001 0.000 0.235 475 N C -1.404 174.292 175.510 0.309 0.000 1.209 475 N CA -0.140 53.065 53.050 0.258 0.000 0.879 475 N CB 0.896 39.550 38.487 0.277 0.000 1.136 475 N HN -0.021 nan 8.380 nan 0.000 0.517 476 V N 0.971 121.024 119.914 0.231 0.000 2.581 476 V HA 0.585 4.705 4.120 0.001 0.000 0.303 476 V C -0.808 175.288 176.094 0.004 0.000 1.041 476 V CA -0.740 61.585 62.300 0.041 0.000 0.907 476 V CB 1.465 33.361 31.823 0.123 0.000 0.994 476 V HN 0.121 nan 8.190 nan 0.000 0.442 477 R N 4.625 125.063 120.500 -0.104 0.000 2.562 477 R HA 0.770 5.110 4.340 0.001 0.000 0.298 477 R C -1.689 174.601 176.300 -0.017 0.000 0.961 477 R CA -0.740 55.344 56.100 -0.026 0.000 0.881 477 R CB 2.073 32.315 30.300 -0.097 0.000 1.159 477 R HN 0.448 nan 8.270 nan 0.000 0.450 478 V N 1.318 121.289 119.914 0.095 0.000 2.588 478 V HA 0.661 4.781 4.120 0.001 0.000 0.304 478 V C -0.437 175.779 176.094 0.203 0.000 1.042 478 V CA -0.853 61.505 62.300 0.098 0.000 0.877 478 V CB 1.727 33.615 31.823 0.109 0.000 0.996 478 V HN 0.957 nan 8.190 nan 0.000 0.425 479 A N 5.971 128.908 122.820 0.195 0.000 2.343 479 A HA 0.936 5.256 4.320 0.001 0.000 0.316 479 A C -0.890 176.842 177.584 0.248 0.000 1.104 479 A CA -0.533 51.652 52.037 0.247 0.000 0.768 479 A CB 0.977 20.089 19.000 0.188 0.000 1.213 479 A HN 0.772 nan 8.150 nan 0.000 0.456 480 I N 2.304 123.018 120.570 0.241 0.000 2.406 480 I HA 0.449 4.619 4.170 0.001 0.000 0.290 480 I C -0.833 175.516 176.117 0.387 0.000 0.999 480 I CA -0.978 60.493 61.300 0.286 0.000 1.124 480 I CB 1.992 40.197 38.000 0.341 0.000 1.289 480 I HN 0.262 nan 8.210 nan 0.000 0.441 481 V N 4.829 124.933 119.914 0.316 0.000 2.384 481 V HA 0.640 4.760 4.120 0.001 0.000 0.287 481 V C -0.172 176.033 176.094 0.185 0.000 1.020 481 V CA -0.148 62.328 62.300 0.294 0.000 0.850 481 V CB 1.541 33.531 31.823 0.278 0.000 0.987 481 V HN 0.847 nan 8.190 nan 0.000 0.436 482 S N 3.873 119.668 115.700 0.159 0.000 2.558 482 S HA 0.365 4.835 4.470 0.001 0.000 0.277 482 S C 0.236 174.784 174.600 -0.086 0.000 1.143 482 S CA -0.720 57.439 58.200 -0.068 0.000 0.865 482 S CB 1.875 64.878 63.200 -0.327 0.000 1.102 482 S HN 0.565 nan 8.310 nan 0.000 0.454 483 K N 1.616 121.965 120.400 -0.085 0.000 2.439 483 K HA -0.003 4.318 4.320 0.001 0.000 0.197 483 K C 1.780 178.321 176.600 -0.098 0.000 1.041 483 K CA 1.268 57.526 56.287 -0.048 0.000 0.970 483 K CB -0.420 32.062 32.500 -0.031 0.000 0.773 483 K HN 0.727 nan 8.250 nan 0.000 0.479 484 S N -0.249 115.296 115.700 -0.258 0.000 2.603 484 S HA -0.002 4.469 4.470 0.001 0.000 0.229 484 S C 1.163 175.610 174.600 -0.255 0.000 0.972 484 S CA 0.228 58.257 58.200 -0.285 0.000 0.935 484 S CB -0.326 62.640 63.200 -0.389 0.000 0.769 484 S HN 0.087 nan 8.310 nan 0.000 0.536 485 F N 1.415 121.382 119.950 0.028 0.000 2.695 485 F HA 0.435 4.963 4.527 0.001 0.000 0.303 485 F C 0.884 176.699 175.800 0.025 0.000 1.091 485 F CA -1.542 56.476 58.000 0.030 0.000 1.300 485 F CB -0.505 38.524 39.000 0.047 0.000 1.071 485 F HN 0.191 nan 8.300 nan 0.000 0.578 486 E N 0.766 121.055 120.200 0.150 0.000 2.585 486 E HA 0.274 4.625 4.350 0.001 0.000 0.252 486 E C 1.395 178.042 176.600 0.078 0.000 0.981 486 E CA 1.053 57.510 56.400 0.095 0.000 0.943 486 E CB -0.062 29.668 29.700 0.050 0.000 0.923 486 E HN 0.477 nan 8.360 nan 0.000 0.486 487 G N 4.608 113.447 108.800 0.065 0.000 2.166 487 G HA2 -0.341 3.619 3.960 0.001 0.000 0.260 487 G HA3 -0.341 3.619 3.960 0.001 0.000 0.260 487 G C 0.488 175.416 174.900 0.047 0.000 0.986 487 G CA 0.714 45.840 45.100 0.043 0.000 0.683 487 G HN 0.570 nan 8.290 nan 0.000 0.527 488 K N 0.091 120.536 120.400 0.075 0.000 2.469 488 K HA 0.181 4.502 4.320 0.001 0.000 0.204 488 K C 0.832 177.449 176.600 0.029 0.000 1.047 488 K CA 0.593 56.921 56.287 0.068 0.000 1.072 488 K CB 1.020 33.596 32.500 0.126 0.000 0.863 488 K HN 0.549 nan 8.250 nan 0.000 0.530 489 T N -0.841 113.721 114.554 0.013 0.000 2.945 489 T HA 0.280 4.631 4.350 0.001 0.000 0.286 489 T C 0.290 174.946 174.700 -0.075 0.000 1.025 489 T CA -0.637 61.437 62.100 -0.044 0.000 1.039 489 T CB 1.726 70.582 68.868 -0.021 0.000 1.068 489 T HN 0.054 nan 8.240 nan 0.000 0.497 490 D N -0.792 119.527 120.400 -0.135 0.000 2.514 490 D HA 0.133 4.774 4.640 0.001 0.000 0.225 490 D C 0.442 176.622 176.300 -0.199 0.000 1.159 490 D CA -0.306 53.612 54.000 -0.136 0.000 0.823 490 D CB 0.299 41.032 40.800 -0.112 0.000 1.097 490 D HN 0.471 nan 8.370 nan 0.000 0.519 491 R N 0.163 120.452 120.500 -0.351 0.000 2.732 491 R HA 0.696 5.036 4.340 0.001 0.000 0.278 491 R C -0.387 175.675 176.300 -0.397 0.000 0.976 491 R CA -0.564 55.247 56.100 -0.482 0.000 0.963 491 R CB 1.819 31.571 30.300 -0.913 0.000 1.150 491 R HN 0.151 nan 8.270 nan 0.000 0.478 492 T N -2.083 112.360 114.554 -0.185 0.000 2.893 492 T HA 0.250 4.600 4.350 0.001 0.000 0.293 492 T C -0.526 174.250 174.700 0.126 0.000 1.027 492 T CA -0.956 61.149 62.100 0.008 0.000 0.988 492 T CB 2.255 71.114 68.868 -0.016 0.000 1.043 492 T HN 0.406 nan 8.240 nan 0.000 0.461 493 E N 1.881 122.215 120.200 0.222 0.000 2.227 493 E HA 0.173 4.523 4.350 0.001 0.000 0.282 493 E C 0.832 177.446 176.600 0.023 0.000 1.015 493 E CA -0.208 56.299 56.400 0.179 0.000 0.823 493 E CB 1.370 31.184 29.700 0.190 0.000 1.081 493 E HN 0.883 nan 8.360 nan 0.000 0.396 494 E N 2.813 122.938 120.200 -0.125 0.000 2.065 494 E HA -0.223 4.127 4.350 0.001 0.000 0.201 494 E C 1.183 177.511 176.600 -0.454 0.000 1.016 494 E CA 1.966 58.110 56.400 -0.426 0.000 0.818 494 E CB -0.010 29.198 29.700 -0.820 0.000 0.749 494 E HN 0.649 nan 8.360 nan 0.000 0.453 495 W N -1.913 119.300 121.300 -0.145 0.000 2.640 495 W HA 0.022 4.682 4.660 0.001 0.000 0.268 495 W C 1.514 177.811 176.519 -0.370 0.000 1.263 495 W CA -0.014 57.095 57.345 -0.393 0.000 1.344 495 W CB 0.132 29.145 29.460 -0.744 0.000 1.093 495 W HN 0.128 nan 8.180 nan 0.000 0.603 496 Y N -1.115 119.246 120.300 0.102 0.000 2.483 496 Y HA 0.322 4.872 4.550 0.001 0.000 0.258 496 Y C 2.005 177.916 175.900 0.019 0.000 1.083 496 Y CA 0.543 58.685 58.100 0.070 0.000 1.283 496 Y CB 0.496 39.012 38.460 0.093 0.000 1.178 496 Y HN -0.053 nan 8.280 nan 0.000 0.515 497 G N 0.843 109.727 108.800 0.140 0.000 2.136 497 G HA2 -0.277 3.684 3.960 0.001 0.000 0.242 497 G HA3 -0.277 3.684 3.960 0.001 0.000 0.242 497 G C 0.053 175.018 174.900 0.108 0.000 0.989 497 G CA 0.228 45.373 45.100 0.074 0.000 0.682 497 G HN 0.216 nan 8.290 nan 0.000 0.522 498 T N 2.100 116.750 114.554 0.160 0.000 2.908 498 T HA 0.361 4.711 4.350 0.001 0.000 0.301 498 T C 0.404 175.237 174.700 0.222 0.000 1.019 498 T CA 0.284 62.480 62.100 0.160 0.000 1.152 498 T CB 1.072 70.011 68.868 0.119 0.000 0.966 498 T HN 0.368 nan 8.240 nan 0.000 0.540 499 Q N 2.888 122.796 119.800 0.180 0.000 2.274 499 Q HA 0.445 4.786 4.340 0.001 0.000 0.256 499 Q C -0.539 175.608 176.000 0.244 0.000 0.927 499 Q CA -0.443 55.452 55.803 0.153 0.000 0.939 499 Q CB 1.174 29.967 28.738 0.091 0.000 1.201 499 Q HN 0.900 nan 8.270 nan 0.000 0.426 500 Y N -1.074 119.240 120.300 0.023 0.000 2.705 500 Y HA 0.701 5.251 4.550 0.001 0.000 0.332 500 Y C -1.480 174.412 175.900 -0.014 0.000 1.221 500 Y CA -1.284 56.823 58.100 0.011 0.000 1.059 500 Y CB 1.852 40.339 38.460 0.045 0.000 1.298 500 Y HN 0.387 nan 8.280 nan 0.000 0.459 501 K N 1.369 121.782 120.400 0.022 0.000 2.469 501 K HA 0.384 4.704 4.320 0.001 0.000 0.254 501 K C -1.969 174.644 176.600 0.022 0.000 0.939 501 K CA -0.830 55.397 56.287 -0.101 0.000 0.812 501 K CB 2.632 35.040 32.500 -0.153 0.000 1.301 501 K HN 0.917 nan 8.250 nan 0.000 0.433 502 Q N 2.793 122.563 119.800 -0.051 0.000 2.321 502 Q HA 0.305 4.646 4.340 0.001 0.000 0.270 502 Q C -1.555 174.336 176.000 -0.182 0.000 1.032 502 Q CA -0.505 55.212 55.803 -0.143 0.000 0.784 502 Q CB 1.852 30.580 28.738 -0.015 0.000 1.264 502 Q HN 0.608 nan 8.270 nan 0.000 0.448 503 E N 1.382 121.432 120.200 -0.249 0.000 2.317 503 E HA 0.606 4.956 4.350 0.001 0.000 0.270 503 E C -1.308 175.185 176.600 -0.179 0.000 0.885 503 E CA -0.945 55.352 56.400 -0.172 0.000 0.760 503 E CB 2.021 31.639 29.700 -0.137 0.000 1.227 503 E HN 0.720 nan 8.360 nan 0.000 0.434 504 A N 2.637 125.384 122.820 -0.121 0.000 2.425 504 A HA 0.282 4.602 4.320 0.001 0.000 0.249 504 A C -0.007 177.528 177.584 -0.081 0.000 1.084 504 A CA -0.169 51.811 52.037 -0.095 0.000 0.781 504 A CB -0.086 18.872 19.000 -0.071 0.000 1.019 504 A HN 0.582 nan 8.150 nan 0.000 0.490 505 I N 3.526 124.061 120.570 -0.058 0.000 2.471 505 I HA 0.166 4.336 4.170 0.001 0.000 0.286 505 I C -1.855 174.209 176.117 -0.088 0.000 1.079 505 I CA -1.554 59.713 61.300 -0.054 0.000 1.398 505 I CB 0.880 38.889 38.000 0.014 0.000 1.403 505 I HN 0.450 nan 8.210 nan 0.000 0.530 506 P HA -0.009 nan 4.420 nan 0.000 0.266 506 P C 0.093 177.310 177.300 -0.140 0.000 1.195 506 P CA -0.051 62.980 63.100 -0.115 0.000 0.768 506 P CB 0.552 32.179 31.700 -0.120 0.000 0.838 507 D N 1.539 121.876 120.400 -0.104 0.000 2.218 507 D HA -0.175 4.465 4.640 0.001 0.000 0.204 507 D C 1.504 177.726 176.300 -0.131 0.000 0.976 507 D CA 1.080 55.020 54.000 -0.100 0.000 0.853 507 D CB -0.005 40.755 40.800 -0.066 0.000 0.939 507 D HN 0.544 nan 8.370 nan 0.000 0.481 508 E N 0.574 120.693 120.200 -0.135 0.000 2.150 508 E HA -0.107 4.243 4.350 0.001 0.000 0.193 508 E C 2.043 178.507 176.600 -0.227 0.000 0.985 508 E CA 0.427 56.741 56.400 -0.143 0.000 0.814 508 E CB 0.314 29.947 29.700 -0.111 0.000 0.752 508 E HN 0.084 nan 8.360 nan 0.000 0.466 509 V N 1.488 121.210 119.914 -0.319 0.000 2.407 509 V HA -0.214 3.907 4.120 0.001 0.000 0.245 509 V C 2.429 178.017 176.094 -0.845 0.000 1.041 509 V CA 0.843 62.791 62.300 -0.586 0.000 1.040 509 V CB -0.286 31.173 31.823 -0.607 0.000 0.671 509 V HN 0.277 nan 8.190 nan 0.000 0.455 510 I N 0.282 120.541 120.570 -0.518 0.000 2.208 510 I HA -0.245 3.926 4.170 0.001 0.000 0.245 510 I C 2.422 178.435 176.117 -0.174 0.000 1.097 510 I CA 1.758 62.892 61.300 -0.276 0.000 1.363 510 I CB -1.129 36.817 38.000 -0.090 0.000 1.051 510 I HN 0.345 nan 8.210 nan 0.000 0.413 511 K N 1.036 121.336 120.400 -0.167 0.000 2.148 511 K HA -0.150 4.170 4.320 0.001 0.000 0.204 511 K C 2.059 178.612 176.600 -0.078 0.000 1.050 511 K CA 0.979 57.209 56.287 -0.095 0.000 0.942 511 K CB 0.151 32.602 32.500 -0.082 0.000 0.724 511 K HN 0.263 nan 8.250 nan 0.000 0.446 512 K N -0.449 119.866 120.400 -0.140 0.000 2.097 512 K HA -0.135 4.185 4.320 0.001 0.000 0.205 512 K C 1.846 178.497 176.600 0.084 0.000 1.050 512 K CA 1.030 57.279 56.287 -0.064 0.000 0.938 512 K CB -0.027 32.402 32.500 -0.119 0.000 0.718 512 K HN 0.271 nan 8.250 nan 0.000 0.442 513 W N 2.068 123.355 121.300 -0.021 0.000 2.436 513 W HA -0.039 4.622 4.660 0.001 0.000 0.284 513 W C 1.925 178.326 176.519 -0.196 0.000 1.225 513 W CA 0.477 57.781 57.345 -0.070 0.000 1.271 513 W CB -0.731 28.632 29.460 -0.162 0.000 1.114 513 W HN 0.225 nan 8.180 nan 0.000 0.559 514 Q N -0.058 119.759 119.800 0.028 0.000 2.170 514 Q HA -0.135 4.206 4.340 0.001 0.000 0.203 514 Q C 1.416 177.423 176.000 0.011 0.000 0.976 514 Q CA 1.058 56.840 55.803 -0.035 0.000 0.858 514 Q CB -0.435 28.282 28.738 -0.035 0.000 0.907 514 Q HN 0.219 nan 8.270 nan 0.000 0.433 515 N N 0.624 119.348 118.700 0.040 0.000 2.461 515 N HA 0.091 4.832 4.740 0.001 0.000 0.188 515 N C -0.300 175.258 175.510 0.080 0.000 1.134 515 N CA 0.222 53.301 53.050 0.048 0.000 0.878 515 N CB 0.096 38.605 38.487 0.037 0.000 0.972 515 N HN 0.129 nan 8.380 nan 0.000 0.456 516 A N 1.044 123.936 122.820 0.120 0.000 2.572 516 A HA -0.082 4.238 4.320 0.001 0.000 0.256 516 A C 0.556 178.208 177.584 0.114 0.000 1.041 516 A CA 0.416 52.546 52.037 0.156 0.000 0.790 516 A CB -0.009 19.127 19.000 0.226 0.000 0.947 516 A HN 0.095 nan 8.150 nan 0.000 0.518 517 D N 1.224 121.685 120.400 0.102 0.000 2.529 517 D HA 0.500 5.140 4.640 0.001 0.000 0.273 517 D C -0.043 176.312 176.300 0.092 0.000 1.197 517 D CA -0.410 53.639 54.000 0.080 0.000 1.070 517 D CB 0.674 41.512 40.800 0.063 0.000 1.134 517 D HN 0.305 nan 8.370 nan 0.000 0.590 518 L N 1.902 123.171 121.223 0.077 0.000 2.426 518 L HA 0.158 4.498 4.340 0.001 0.000 0.271 518 L C 0.428 177.353 176.870 0.092 0.000 1.169 518 L CA 0.257 55.151 54.840 0.090 0.000 0.836 518 L CB 0.079 42.175 42.059 0.063 0.000 1.112 518 L HN 0.234 nan 8.230 nan 0.000 0.465 519 N N 1.207 119.989 118.700 0.137 0.000 2.483 519 N HA 0.259 5.000 4.740 0.001 0.000 0.267 519 N C 0.889 176.404 175.510 0.009 0.000 0.998 519 N CA -0.119 52.968 53.050 0.061 0.000 0.918 519 N CB 1.850 40.382 38.487 0.074 0.000 1.215 519 N HN 0.650 nan 8.380 nan 0.000 0.500 520 G N 2.616 111.402 108.800 -0.024 0.000 2.564 520 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 520 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 520 G C 1.190 176.046 174.900 -0.072 0.000 1.124 520 G CA 0.641 45.726 45.100 -0.025 0.000 0.764 520 G HN 0.518 nan 8.290 nan 0.000 0.550 521 K N -0.264 120.009 120.400 -0.211 0.000 2.296 521 K HA 0.087 4.407 4.320 0.001 0.000 0.200 521 K C -0.192 176.257 176.600 -0.251 0.000 1.048 521 K CA 0.102 56.205 56.287 -0.308 0.000 0.966 521 K CB 0.057 32.259 32.500 -0.496 0.000 0.754 521 K HN 0.317 nan 8.250 nan 0.000 0.466 522 F N 1.750 121.765 119.950 0.108 0.000 2.405 522 F HA 0.310 4.837 4.527 0.001 0.000 0.355 522 F C 0.245 176.090 175.800 0.076 0.000 1.121 522 F CA -0.786 57.304 58.000 0.150 0.000 1.112 522 F CB 1.019 40.134 39.000 0.192 0.000 1.126 522 F HN -0.301 nan 8.300 nan 0.000 0.481 523 K N 2.506 123.089 120.400 0.305 0.000 2.444 523 K HA 0.590 4.910 4.320 0.001 0.000 0.252 523 K C -1.181 175.511 176.600 0.152 0.000 0.993 523 K CA -1.100 55.288 56.287 0.167 0.000 0.847 523 K CB 1.847 34.424 32.500 0.129 0.000 1.340 523 K HN 0.159 nan 8.250 nan 0.000 0.446 524 L N 1.977 123.264 121.223 0.107 0.000 2.479 524 L HA 0.206 4.547 4.340 0.001 0.000 0.270 524 L C -1.875 175.066 176.870 0.119 0.000 1.236 524 L CA -1.565 53.343 54.840 0.112 0.000 0.823 524 L CB -1.017 41.158 42.059 0.193 0.000 1.098 524 L HN 0.505 nan 8.230 nan 0.000 0.500 525 P HA 0.144 nan 4.420 nan 0.000 0.272 525 P C -0.376 177.091 177.300 0.279 0.000 1.240 525 P CA -0.285 62.825 63.100 0.017 0.000 0.791 525 P CB 0.365 31.899 31.700 -0.276 0.000 0.978 526 T N 0.804 115.480 114.554 0.204 0.000 2.904 526 T HA 0.158 4.509 4.350 0.001 0.000 0.290 526 T C 0.229 175.067 174.700 0.230 0.000 1.018 526 T CA -0.274 61.918 62.100 0.153 0.000 1.075 526 T CB 0.197 69.128 68.868 0.104 0.000 0.986 526 T HN 0.206 nan 8.240 nan 0.000 0.523 527 K N 3.028 123.455 120.400 0.045 0.000 2.472 527 K HA -0.019 4.301 4.320 0.001 0.000 0.280 527 K C 0.351 177.042 176.600 0.153 0.000 1.028 527 K CA -0.028 56.328 56.287 0.115 0.000 1.045 527 K CB 0.148 32.599 32.500 -0.083 0.000 0.902 527 K HN 0.404 nan 8.250 nan 0.000 0.478 528 N N 3.644 122.479 118.700 0.225 0.000 2.416 528 N HA -0.044 4.697 4.740 0.001 0.000 0.265 528 N C -0.483 175.084 175.510 0.095 0.000 1.195 528 N CA 0.368 53.529 53.050 0.184 0.000 0.943 528 N CB 0.721 39.341 38.487 0.221 0.000 1.115 528 N HN 0.639 nan 8.380 nan 0.000 0.481 529 E N 2.558 122.764 120.200 0.010 0.000 2.419 529 E HA 0.114 4.464 4.350 0.001 0.000 0.190 529 E C 0.079 176.535 176.600 -0.239 0.000 1.040 529 E CA -0.018 56.312 56.400 -0.118 0.000 0.900 529 E CB 0.099 29.691 29.700 -0.180 0.000 1.054 529 E HN 0.558 nan 8.360 nan 0.000 0.462 530 F N 0.103 120.041 119.950 -0.019 0.000 2.727 530 F HA 0.254 4.782 4.527 0.001 0.000 0.302 530 F C 0.603 176.402 175.800 -0.002 0.000 1.097 530 F CA -0.317 57.669 58.000 -0.024 0.000 1.330 530 F CB 0.334 39.305 39.000 -0.048 0.000 1.084 530 F HN -0.065 nan 8.300 nan 0.000 0.578 531 I N 4.307 124.965 120.570 0.147 0.000 2.828 531 I HA -0.071 4.099 4.170 0.001 0.000 0.292 531 I C -1.809 174.326 176.117 0.031 0.000 1.206 531 I CA -1.280 60.078 61.300 0.097 0.000 1.420 531 I CB -0.012 38.036 38.000 0.080 0.000 1.368 531 I HN -0.151 nan 8.210 nan 0.000 0.556 532 P HA 0.063 nan 4.420 nan 0.000 0.271 532 P C 0.004 177.116 177.300 -0.314 0.000 1.216 532 P CA -0.105 62.884 63.100 -0.184 0.000 0.771 532 P CB 1.361 32.879 31.700 -0.304 0.000 0.864 533 T N 0.504 114.768 114.554 -0.484 0.000 2.964 533 T HA 0.062 4.412 4.350 0.001 0.000 0.249 533 T C 0.463 174.729 174.700 -0.723 0.000 1.000 533 T CA 0.468 62.315 62.100 -0.423 0.000 0.992 533 T CB -0.152 68.595 68.868 -0.203 0.000 1.087 533 T HN 0.421 nan 8.240 nan 0.000 0.489 534 N N 0.988 119.170 118.700 -0.862 0.000 2.524 534 N HA 0.302 5.042 4.740 0.001 0.000 0.261 534 N C -1.157 173.937 175.510 -0.693 0.000 0.998 534 N CA -0.655 52.037 53.050 -0.596 0.000 0.915 534 N CB 0.323 38.640 38.487 -0.283 0.000 1.187 534 N HN -0.006 nan 8.380 nan 0.000 0.507 535 F N 0.500 120.409 119.950 -0.069 0.000 2.708 535 F HA 0.291 4.819 4.527 0.001 0.000 0.300 535 F C 0.994 176.753 175.800 -0.068 0.000 1.118 535 F CA -0.617 57.295 58.000 -0.147 0.000 1.307 535 F CB -0.048 38.842 39.000 -0.184 0.000 0.986 535 F HN 0.446 nan 8.300 nan 0.000 0.522 536 E N 2.614 122.853 120.200 0.065 0.000 2.328 536 E HA 0.043 4.394 4.350 0.001 0.000 0.265 536 E C -0.120 176.521 176.600 0.068 0.000 1.057 536 E CA -0.279 56.162 56.400 0.069 0.000 0.916 536 E CB 0.490 30.210 29.700 0.034 0.000 0.993 536 E HN 0.042 nan 8.360 nan 0.000 0.446 537 I N 6.026 126.652 120.570 0.092 0.000 2.363 537 I HA 0.044 4.214 4.170 0.001 0.000 0.292 537 I C 0.169 176.343 176.117 0.095 0.000 1.075 537 I CA -0.537 60.830 61.300 0.111 0.000 1.333 537 I CB -0.193 37.900 38.000 0.155 0.000 1.415 537 I HN 0.541 nan 8.210 nan 0.000 0.502 538 L N 9.531 130.811 121.223 0.095 0.000 2.490 538 L HA 0.172 4.513 4.340 0.001 0.000 0.274 538 L C -1.713 175.212 176.870 0.092 0.000 1.201 538 L CA -0.967 53.922 54.840 0.082 0.000 0.869 538 L CB -0.837 41.272 42.059 0.084 0.000 1.123 538 L HN 0.391 nan 8.230 nan 0.000 0.484 539 P HA 0.017 nan 4.420 nan 0.000 0.265 539 P C -0.515 176.833 177.300 0.080 0.000 1.193 539 P CA -0.561 62.571 63.100 0.053 0.000 0.765 539 P CB 0.352 32.072 31.700 0.032 0.000 0.823 540 L N 3.604 124.880 121.223 0.088 0.000 2.462 540 L HA 0.034 4.374 4.340 0.001 0.000 0.272 540 L C 0.727 177.644 176.870 0.078 0.000 1.166 540 L CA 0.439 55.343 54.840 0.108 0.000 0.880 540 L CB -0.838 41.293 42.059 0.121 0.000 1.142 540 L HN 0.405 nan 8.230 nan 0.000 0.473 541 E N 3.968 124.222 120.200 0.091 0.000 2.408 541 E HA -0.002 4.348 4.350 0.001 0.000 0.259 541 E C 0.714 177.348 176.600 0.058 0.000 1.110 541 E CA -0.198 56.248 56.400 0.076 0.000 0.929 541 E CB 0.801 30.562 29.700 0.101 0.000 0.971 541 E HN 0.496 nan 8.360 nan 0.000 0.438 542 K N 1.367 121.793 120.400 0.043 0.000 2.057 542 K HA -0.160 4.160 4.320 0.001 0.000 0.207 542 K C 0.586 177.207 176.600 0.035 0.000 1.049 542 K CA 1.241 57.547 56.287 0.032 0.000 0.931 542 K CB 0.041 32.555 32.500 0.023 0.000 0.714 542 K HN 0.441 nan 8.250 nan 0.000 0.440 543 E N 0.797 121.023 120.200 0.044 0.000 2.354 543 E HA 0.177 4.527 4.350 0.001 0.000 0.260 543 E C -0.983 175.660 176.600 0.072 0.000 1.405 543 E CA -0.537 55.892 56.400 0.049 0.000 1.728 543 E CB 0.608 30.335 29.700 0.044 0.000 1.471 543 E HN 0.207 nan 8.360 nan 0.000 0.441 544 A N 1.310 124.165 122.820 0.060 0.000 2.305 544 A HA 0.446 4.766 4.320 0.001 0.000 0.322 544 A C 0.296 177.884 177.584 0.006 0.000 1.187 544 A CA -0.655 51.416 52.037 0.056 0.000 0.825 544 A CB 0.689 19.723 19.000 0.056 0.000 1.164 544 A HN 0.199 nan 8.150 nan 0.000 0.498 545 T N 0.848 115.386 114.554 -0.026 0.000 2.859 545 T HA 0.541 4.892 4.350 0.001 0.000 0.281 545 T C -2.097 172.509 174.700 -0.156 0.000 1.005 545 T CA -1.753 60.307 62.100 -0.067 0.000 1.025 545 T CB 1.403 70.249 68.868 -0.038 0.000 0.977 545 T HN 0.280 nan 8.240 nan 0.000 0.458 546 P HA -0.053 nan 4.420 nan 0.000 0.216 546 P C -0.357 176.607 177.300 -0.559 0.000 1.150 546 P CA 1.357 64.210 63.100 -0.413 0.000 0.843 546 P CB -0.053 31.319 31.700 -0.546 0.000 0.787 547 Y N -2.646 117.507 120.300 -0.244 0.000 2.650 547 Y HA 0.459 5.010 4.550 0.001 0.000 0.331 547 Y C -2.165 173.348 175.900 -0.646 0.000 1.082 547 Y CA -3.269 54.508 58.100 -0.538 0.000 1.171 547 Y CB -0.260 37.941 38.460 -0.432 0.000 1.326 547 Y HN -0.311 nan 8.280 nan 0.000 0.513 548 P HA 0.283 nan 4.420 nan 0.000 0.271 548 P C -1.198 176.025 177.300 -0.129 0.000 1.216 548 P CA -0.131 62.634 63.100 -0.558 0.000 0.771 548 P CB 0.599 31.858 31.700 -0.735 0.000 0.864 549 A N 3.452 126.312 122.820 0.067 0.000 2.312 549 A HA 0.509 4.829 4.320 0.001 0.000 0.328 549 A C -0.625 177.029 177.584 0.117 0.000 1.158 549 A CA -0.637 51.496 52.037 0.159 0.000 0.821 549 A CB 0.371 19.436 19.000 0.108 0.000 1.170 549 A HN 0.540 nan 8.150 nan 0.000 0.490 550 L N 3.678 124.825 121.223 -0.127 0.000 2.356 550 L HA 0.325 4.666 4.340 0.001 0.000 0.282 550 L C 0.736 177.426 176.870 -0.300 0.000 1.132 550 L CA 0.082 54.568 54.840 -0.590 0.000 0.923 550 L CB -0.344 41.133 42.059 -0.970 0.000 1.278 550 L HN 0.653 nan 8.230 nan 0.000 0.436 551 I N 0.404 120.859 120.570 -0.192 0.000 3.793 551 I HA 0.281 4.452 4.170 0.001 0.000 0.315 551 I C 0.445 176.486 176.117 -0.128 0.000 1.275 551 I CA -0.076 61.157 61.300 -0.112 0.000 1.214 551 I CB -0.167 37.797 38.000 -0.060 0.000 1.018 551 I HN 0.515 nan 8.210 nan 0.000 0.439 552 K N 1.038 121.335 120.400 -0.171 0.000 2.550 552 K HA 0.276 4.596 4.320 0.001 0.000 0.252 552 K C -1.582 174.930 176.600 -0.147 0.000 0.943 552 K CA -0.460 55.752 56.287 -0.124 0.000 0.806 552 K CB 1.806 34.259 32.500 -0.079 0.000 1.289 552 K HN -0.055 nan 8.250 nan 0.000 0.435 553 D N 2.814 123.155 120.400 -0.098 0.000 2.945 553 D HA 0.193 4.833 4.640 0.001 0.000 0.369 553 D C -0.823 175.467 176.300 -0.017 0.000 1.294 553 D CA -0.081 53.873 54.000 -0.078 0.000 0.778 553 D CB 0.830 41.562 40.800 -0.114 0.000 1.188 553 D HN 0.507 nan 8.370 nan 0.000 0.479 554 T N -0.301 114.264 114.554 0.018 0.000 2.766 554 T HA 0.362 4.712 4.350 0.001 0.000 0.295 554 T C 1.663 176.419 174.700 0.094 0.000 1.024 554 T CA 0.050 62.178 62.100 0.046 0.000 1.018 554 T CB 1.361 70.260 68.868 0.052 0.000 1.002 554 T HN 0.183 nan 8.240 nan 0.000 0.532 555 A N 0.644 123.512 122.820 0.080 0.000 2.168 555 A HA 0.049 4.369 4.320 0.001 0.000 0.215 555 A C 1.972 179.683 177.584 0.212 0.000 1.152 555 A CA 1.079 53.169 52.037 0.088 0.000 0.716 555 A CB -0.617 18.413 19.000 0.050 0.000 0.794 555 A HN 0.834 nan 8.150 nan 0.000 0.465 556 M N -2.223 117.512 119.600 0.226 0.000 2.538 556 M HA 0.236 4.717 4.480 0.001 0.000 0.259 556 M C -0.567 175.824 176.300 0.151 0.000 1.217 556 M CA 0.525 55.983 55.300 0.264 0.000 1.131 556 M CB 0.916 33.608 32.600 0.152 0.000 1.382 556 M HN 0.119 nan 8.290 nan 0.000 0.520 557 S N 1.000 116.768 115.700 0.113 0.000 2.672 557 S HA 0.406 4.876 4.470 0.001 0.000 0.291 557 S C -1.049 173.575 174.600 0.041 0.000 1.145 557 S CA -0.726 57.473 58.200 -0.002 0.000 1.013 557 S CB 1.969 65.183 63.200 0.022 0.000 1.017 557 S HN 0.171 nan 8.310 nan 0.000 0.487 558 K N 2.844 123.249 120.400 0.009 0.000 2.389 558 K HA 0.496 4.817 4.320 0.001 0.000 0.261 558 K C -1.383 175.182 176.600 -0.058 0.000 1.014 558 K CA -0.640 55.648 56.287 0.002 0.000 0.920 558 K CB 0.661 33.267 32.500 0.178 0.000 1.149 558 K HN 0.406 nan 8.250 nan 0.000 0.444 559 L N 5.510 126.624 121.223 -0.183 0.000 2.280 559 L HA 0.538 4.879 4.340 0.001 0.000 0.287 559 L C -1.738 174.994 176.870 -0.229 0.000 1.023 559 L CA -0.265 54.516 54.840 -0.099 0.000 0.819 559 L CB 0.390 42.432 42.059 -0.028 0.000 1.212 559 L HN 0.509 nan 8.230 nan 0.000 0.420 560 W N 5.565 126.940 121.300 0.124 0.000 2.417 560 W HA 0.569 5.229 4.660 0.001 0.000 0.317 560 W C -0.679 175.932 176.519 0.153 0.000 1.121 560 W CA -0.227 57.191 57.345 0.121 0.000 1.208 560 W CB 1.204 30.747 29.460 0.139 0.000 1.253 560 W HN 0.456 nan 8.180 nan 0.000 0.533 561 F N 3.490 123.535 119.950 0.158 0.000 2.591 561 F HA 0.598 5.125 4.527 0.001 0.000 0.309 561 F C -1.105 174.712 175.800 0.027 0.000 1.098 561 F CA -1.383 56.663 58.000 0.077 0.000 0.937 561 F CB 1.597 40.620 39.000 0.037 0.000 1.250 561 F HN 0.211 nan 8.300 nan 0.000 0.447 562 K N 5.418 125.183 120.400 -1.058 0.000 2.588 562 K HA 0.156 4.476 4.320 0.001 0.000 0.250 562 K C -1.735 174.387 176.600 -0.796 0.000 0.972 562 K CA -0.523 55.217 56.287 -0.912 0.000 0.821 562 K CB 2.134 34.326 32.500 -0.512 0.000 1.249 562 K HN 0.971 nan 8.250 nan 0.000 0.442 563 Q N 3.061 122.425 119.800 -0.726 0.000 2.288 563 Q HA 0.038 4.379 4.340 0.001 0.000 0.258 563 Q C -0.626 175.327 176.000 -0.079 0.000 0.957 563 Q CA -0.225 55.442 55.803 -0.227 0.000 0.919 563 Q CB 0.889 29.633 28.738 0.009 0.000 1.185 563 Q HN 0.501 nan 8.270 nan 0.000 0.408 564 D N 3.108 123.477 120.400 -0.052 0.000 2.554 564 D HA -0.128 4.513 4.640 0.001 0.000 0.251 564 D C 0.016 176.157 176.300 -0.266 0.000 1.213 564 D CA 0.454 54.378 54.000 -0.128 0.000 0.900 564 D CB 0.601 41.283 40.800 -0.197 0.000 1.135 564 D HN 0.611 nan 8.370 nan 0.000 0.522 565 D N 2.402 122.623 120.400 -0.298 0.000 2.395 565 D HA -0.019 4.621 4.640 0.001 0.000 0.213 565 D C 0.764 176.735 176.300 -0.548 0.000 1.110 565 D CA 0.042 53.867 54.000 -0.291 0.000 0.835 565 D CB -0.022 40.711 40.800 -0.113 0.000 0.965 565 D HN 0.629 nan 8.370 nan 0.000 0.505 566 K N -1.270 118.564 120.400 -0.943 0.000 2.567 566 K HA 0.147 4.467 4.320 0.001 0.000 0.218 566 K C 0.359 176.340 176.600 -1.032 0.000 1.440 566 K CA -0.279 55.452 56.287 -0.925 0.000 0.995 566 K CB -0.221 31.816 32.500 -0.770 0.000 1.186 566 K HN -0.050 nan 8.250 nan 0.000 0.593 567 F N 0.722 120.275 119.950 -0.661 0.000 2.553 567 F HA 0.362 4.889 4.527 0.001 0.000 0.282 567 F C -0.131 175.570 175.800 -0.165 0.000 1.089 567 F CA -0.666 57.145 58.000 -0.315 0.000 1.411 567 F CB -0.025 38.842 39.000 -0.222 0.000 1.125 567 F HN -0.183 nan 8.300 nan 0.000 0.610 568 F N 0.327 120.358 119.950 0.135 0.000 3.074 568 F HA -0.190 4.337 4.527 0.001 0.000 0.287 568 F C -0.619 175.237 175.800 0.094 0.000 0.932 568 F CA -0.692 57.358 58.000 0.082 0.000 0.995 568 F CB -2.214 36.817 39.000 0.052 0.000 0.966 568 F HN -0.212 nan 8.300 nan 0.000 0.721 569 L N 2.149 123.471 121.223 0.164 0.000 2.334 569 L HA 0.575 4.915 4.340 0.001 0.000 0.272 569 L C -1.699 175.178 176.870 0.012 0.000 1.020 569 L CA -2.616 52.286 54.840 0.103 0.000 0.812 569 L CB 0.804 42.908 42.059 0.076 0.000 1.264 569 L HN -0.266 nan 8.230 nan 0.000 0.439 570 P HA 0.164 nan 4.420 nan 0.000 0.226 570 P C -0.955 176.366 177.300 0.035 0.000 1.783 570 P CA -0.058 63.022 63.100 -0.034 0.000 0.980 570 P CB -0.077 31.570 31.700 -0.089 0.000 1.967 571 K N 0.688 121.075 120.400 -0.022 0.000 2.482 571 K HA 0.848 5.168 4.320 0.001 0.000 0.257 571 K C -0.929 175.623 176.600 -0.080 0.000 0.969 571 K CA -0.942 55.302 56.287 -0.072 0.000 0.842 571 K CB 2.723 35.119 32.500 -0.174 0.000 1.359 571 K HN 0.052 nan 8.250 nan 0.000 0.441 572 A N 1.471 124.243 122.820 -0.079 0.000 2.498 572 A HA 0.605 4.925 4.320 0.001 0.000 0.298 572 A C -1.537 175.993 177.584 -0.091 0.000 1.075 572 A CA -0.902 51.089 52.037 -0.076 0.000 0.714 572 A CB 1.132 20.127 19.000 -0.009 0.000 1.299 572 A HN 0.635 nan 8.150 nan 0.000 0.407 573 N N 0.991 119.632 118.700 -0.098 0.000 2.446 573 N HA 0.540 5.280 4.740 0.001 0.000 0.265 573 N C -1.609 173.854 175.510 -0.079 0.000 0.975 573 N CA -0.282 52.711 53.050 -0.094 0.000 0.928 573 N CB 1.473 39.901 38.487 -0.099 0.000 1.160 573 N HN 0.371 nan 8.380 nan 0.000 0.495 574 L N 3.048 124.213 121.223 -0.096 0.000 2.294 574 L HA 0.423 4.763 4.340 0.001 0.000 0.283 574 L C -0.368 176.314 176.870 -0.314 0.000 1.015 574 L CA -0.548 54.208 54.840 -0.140 0.000 0.831 574 L CB 0.489 42.598 42.059 0.083 0.000 1.217 574 L HN 0.275 nan 8.230 nan 0.000 0.420 575 N N 3.860 122.185 118.700 -0.625 0.000 2.372 575 N HA 0.616 5.356 4.740 0.001 0.000 0.285 575 N C -1.283 173.687 175.510 -0.900 0.000 1.008 575 N CA -0.176 52.379 53.050 -0.825 0.000 0.880 575 N CB 1.528 39.249 38.487 -1.276 0.000 1.239 575 N HN 0.165 nan 8.380 nan 0.000 0.484 576 F N 0.033 119.783 119.950 -0.333 0.000 2.539 576 F HA 0.312 4.839 4.527 0.001 0.000 0.318 576 F C 0.443 176.199 175.800 -0.073 0.000 1.135 576 F CA -0.926 56.948 58.000 -0.211 0.000 0.915 576 F CB 2.015 40.761 39.000 -0.422 0.000 1.176 576 F HN 0.235 nan 8.300 nan 0.000 0.440 577 E N 2.915 123.239 120.200 0.206 0.000 2.151 577 E HA 0.524 4.874 4.350 0.001 0.000 0.275 577 E C -1.691 174.648 176.600 -0.435 0.000 0.936 577 E CA -0.414 55.997 56.400 0.018 0.000 0.777 577 E CB 0.764 30.429 29.700 -0.059 0.000 1.108 577 E HN 0.357 nan 8.360 nan 0.000 0.401 578 F N 4.838 124.715 119.950 -0.121 0.000 2.388 578 F HA 0.417 4.944 4.527 0.001 0.000 0.358 578 F C -0.498 175.228 175.800 -0.123 0.000 1.122 578 F CA -0.751 57.209 58.000 -0.065 0.000 1.056 578 F CB 0.653 39.691 39.000 0.063 0.000 1.155 578 F HN 0.351 nan 8.300 nan 0.000 0.461 579 F N 1.912 122.079 119.950 0.362 0.000 2.404 579 F HA 0.537 5.064 4.527 0.001 0.000 0.345 579 F C 0.435 176.430 175.800 0.326 0.000 1.110 579 F CA -0.545 57.649 58.000 0.325 0.000 1.130 579 F CB 1.593 40.741 39.000 0.247 0.000 1.129 579 F HN 0.366 nan 8.300 nan 0.000 0.500 580 S N 4.086 120.087 115.700 0.502 0.000 2.592 580 S HA 0.363 4.834 4.470 0.001 0.000 0.275 580 S C -2.102 172.774 174.600 0.460 0.000 1.169 580 S CA -1.284 57.180 58.200 0.440 0.000 0.958 580 S CB 1.769 65.199 63.200 0.384 0.000 1.095 580 S HN 0.301 nan 8.310 nan 0.000 0.471 581 P HA -0.051 nan 4.420 nan 0.000 0.221 581 P C 0.953 178.443 177.300 0.315 0.000 1.145 581 P CA 1.088 64.386 63.100 0.331 0.000 0.795 581 P CB -0.138 31.705 31.700 0.239 0.000 0.775 582 F N -0.134 120.018 119.950 0.336 0.000 2.811 582 F HA 0.180 4.708 4.527 0.001 0.000 0.301 582 F C 2.397 178.543 175.800 0.577 0.000 1.151 582 F CA 0.378 58.635 58.000 0.428 0.000 1.412 582 F CB -0.386 38.826 39.000 0.355 0.000 1.113 582 F HN -0.049 nan 8.300 nan 0.000 0.579 583 A N -1.631 121.575 122.820 0.643 0.000 2.072 583 A HA -0.106 4.214 4.320 0.001 0.000 0.216 583 A C 0.997 178.965 177.584 0.640 0.000 1.156 583 A CA 1.089 53.510 52.037 0.640 0.000 0.701 583 A CB -0.371 18.955 19.000 0.543 0.000 0.816 583 A HN 0.459 nan 8.150 nan 0.000 0.458 584 Y N -1.984 118.568 120.300 0.421 0.000 2.809 584 Y HA 0.253 4.804 4.550 0.001 0.000 0.251 584 Y C 1.244 177.426 175.900 0.470 0.000 1.136 584 Y CA -0.330 58.035 58.100 0.442 0.000 1.185 584 Y CB 0.445 39.135 38.460 0.383 0.000 1.260 584 Y HN -0.017 nan 8.280 nan 0.000 0.576 585 V N 0.929 121.035 119.914 0.321 0.000 2.490 585 V HA -0.083 4.038 4.120 0.001 0.000 0.250 585 V C 0.296 176.473 176.094 0.138 0.000 1.061 585 V CA 2.490 64.869 62.300 0.131 0.000 1.064 585 V CB -0.155 31.536 31.823 -0.221 0.000 0.670 585 V HN 0.617 nan 8.190 nan 0.000 0.461 586 D N -3.816 116.557 120.400 -0.045 0.000 2.671 586 D HA 0.251 4.892 4.640 0.001 0.000 0.273 586 D C -2.584 173.191 176.300 -0.876 0.000 1.264 586 D CA -1.293 52.400 54.000 -0.512 0.000 0.788 586 D CB 0.835 41.380 40.800 -0.426 0.000 1.324 586 D HN -0.155 nan 8.370 nan 0.000 0.424 587 P HA -0.103 nan 4.420 nan 0.000 0.215 587 P C 1.856 178.924 177.300 -0.387 0.000 1.157 587 P CA 1.055 63.586 63.100 -0.950 0.000 0.874 587 P CB 0.145 31.373 31.700 -0.786 0.000 0.790 588 L N -1.439 119.633 121.223 -0.251 0.000 2.043 588 L HA -0.230 4.111 4.340 0.001 0.000 0.212 588 L C 2.160 179.010 176.870 -0.033 0.000 1.075 588 L CA 2.102 56.901 54.840 -0.068 0.000 0.752 588 L CB -0.954 41.122 42.059 0.028 0.000 0.891 588 L HN 0.032 nan 8.230 nan 0.000 0.432 589 H N -1.780 117.179 119.070 -0.184 0.000 2.436 589 H HA 0.028 4.584 4.556 0.001 0.000 0.294 589 H C 2.490 177.774 175.328 -0.072 0.000 1.048 589 H CA 1.087 57.056 56.048 -0.132 0.000 1.353 589 H CB -0.244 29.576 29.762 0.096 0.000 1.414 589 H HN 0.310 nan 8.280 nan 0.000 0.536 590 S N 0.270 116.012 115.700 0.069 0.000 2.353 590 S HA -0.176 4.294 4.470 0.001 0.000 0.222 590 S C 1.962 176.637 174.600 0.124 0.000 1.035 590 S CA 1.331 59.623 58.200 0.153 0.000 1.025 590 S CB -0.140 63.098 63.200 0.064 0.000 0.902 590 S HN 0.492 nan 8.310 nan 0.000 0.440 591 N N 1.090 119.820 118.700 0.050 0.000 2.104 591 N HA -0.051 4.689 4.740 0.001 0.000 0.190 591 N C 1.681 177.201 175.510 0.017 0.000 1.024 591 N CA 1.297 54.416 53.050 0.114 0.000 0.853 591 N CB -0.408 38.154 38.487 0.126 0.000 1.008 591 N HN 0.416 nan 8.380 nan 0.000 0.424 592 M N 0.200 119.675 119.600 -0.210 0.000 2.132 592 M HA -0.040 4.440 4.480 0.001 0.000 0.263 592 M C 2.197 178.348 176.300 -0.249 0.000 1.065 592 M CA 1.289 56.324 55.300 -0.442 0.000 1.122 592 M CB -0.203 31.654 32.600 -1.238 0.000 1.365 592 M HN 0.153 nan 8.290 nan 0.000 0.411 593 A N -0.260 122.470 122.820 -0.149 0.000 1.892 593 A HA -0.257 4.063 4.320 0.001 0.000 0.218 593 A C 1.991 179.742 177.584 0.279 0.000 1.188 593 A CA 1.798 54.053 52.037 0.364 0.000 0.631 593 A CB -1.233 18.038 19.000 0.451 0.000 0.822 593 A HN 0.588 nan 8.150 nan 0.000 0.447 594 Y N 0.428 120.757 120.300 0.048 0.000 2.049 594 Y HA -0.221 4.330 4.550 0.001 0.000 0.277 594 Y C 2.108 177.939 175.900 -0.115 0.000 1.143 594 Y CA 2.120 60.171 58.100 -0.083 0.000 1.115 594 Y CB -0.464 37.830 38.460 -0.277 0.000 0.975 594 Y HN 0.216 nan 8.280 nan 0.000 0.487 595 L N -0.827 120.385 121.223 -0.018 0.000 2.043 595 L HA -0.291 4.049 4.340 0.001 0.000 0.212 595 L C 2.429 179.344 176.870 0.074 0.000 1.075 595 L CA 1.812 56.645 54.840 -0.012 0.000 0.752 595 L CB -1.001 41.135 42.059 0.128 0.000 0.891 595 L HN 0.415 nan 8.230 nan 0.000 0.432 596 Y N 0.987 121.313 120.300 0.044 0.000 2.070 596 Y HA -0.271 4.280 4.550 0.001 0.000 0.280 596 Y C 2.300 178.151 175.900 -0.083 0.000 1.148 596 Y CA 1.582 59.742 58.100 0.101 0.000 1.125 596 Y CB -0.594 38.008 38.460 0.237 0.000 0.975 596 Y HN -0.004 nan 8.280 nan 0.000 0.492 597 L N -0.091 120.872 121.223 -0.432 0.000 2.093 597 L HA -0.151 4.190 4.340 0.001 0.000 0.208 597 L C 2.518 179.134 176.870 -0.425 0.000 1.085 597 L CA 1.351 55.854 54.840 -0.561 0.000 0.755 597 L CB -0.637 41.187 42.059 -0.392 0.000 0.904 597 L HN 0.196 nan 8.230 nan 0.000 0.435 598 E N 0.498 120.440 120.200 -0.429 0.000 2.077 598 E HA -0.179 4.172 4.350 0.001 0.000 0.193 598 E C 2.342 178.833 176.600 -0.182 0.000 0.989 598 E CA 1.180 57.367 56.400 -0.356 0.000 0.800 598 E CB -0.171 29.260 29.700 -0.449 0.000 0.746 598 E HN 0.486 nan 8.360 nan 0.000 0.452 599 L N 0.284 121.444 121.223 -0.104 0.000 2.109 599 L HA -0.088 4.253 4.340 0.001 0.000 0.207 599 L C 2.608 179.439 176.870 -0.065 0.000 1.086 599 L CA 0.388 55.276 54.840 0.080 0.000 0.760 599 L CB -0.252 42.032 42.059 0.374 0.000 0.910 599 L HN 0.136 nan 8.230 nan 0.000 0.437 600 L N 0.031 120.954 121.223 -0.499 0.000 1.994 600 L HA -0.268 4.072 4.340 0.001 0.000 0.208 600 L C 2.670 179.372 176.870 -0.280 0.000 1.071 600 L CA 1.708 56.104 54.840 -0.740 0.000 0.745 600 L CB -0.199 41.353 42.059 -0.845 0.000 0.892 600 L HN 0.254 nan 8.230 nan 0.000 0.431 601 K N -0.522 119.767 120.400 -0.185 0.000 2.097 601 K HA -0.249 4.072 4.320 0.001 0.000 0.206 601 K C 1.657 178.256 176.600 -0.002 0.000 1.049 601 K CA 1.750 58.016 56.287 -0.035 0.000 0.933 601 K CB -0.239 32.216 32.500 -0.075 0.000 0.717 601 K HN 0.363 nan 8.250 nan 0.000 0.442 602 D N 0.838 121.227 120.400 -0.018 0.000 2.084 602 D HA -0.167 4.474 4.640 0.001 0.000 0.194 602 D C 1.950 178.284 176.300 0.057 0.000 0.990 602 D CA 2.063 56.076 54.000 0.022 0.000 0.826 602 D CB -0.064 40.757 40.800 0.035 0.000 0.971 602 D HN 0.132 nan 8.370 nan 0.000 0.453 603 S N -0.781 114.972 115.700 0.089 0.000 2.423 603 S HA -0.108 4.363 4.470 0.001 0.000 0.231 603 S C 1.873 176.529 174.600 0.093 0.000 1.014 603 S CA 0.441 58.715 58.200 0.124 0.000 0.965 603 S CB -0.381 62.970 63.200 0.251 0.000 0.785 603 S HN 0.276 nan 8.310 nan 0.000 0.495 604 L N 2.196 123.457 121.223 0.063 0.000 2.492 604 L HA 0.313 4.653 4.340 0.001 0.000 0.223 604 L C 1.945 178.913 176.870 0.162 0.000 1.132 604 L CA 0.776 55.662 54.840 0.077 0.000 0.850 604 L CB -1.166 40.904 42.059 0.018 0.000 0.966 604 L HN 0.351 nan 8.230 nan 0.000 0.454 605 N N 0.028 118.808 118.700 0.134 0.000 2.043 605 N HA -0.228 4.512 4.740 0.001 0.000 0.193 605 N C 1.746 177.351 175.510 0.159 0.000 1.037 605 N CA 1.794 54.925 53.050 0.136 0.000 0.851 605 N CB 0.040 38.567 38.487 0.068 0.000 1.027 605 N HN 0.384 nan 8.380 nan 0.000 0.422 606 E N -1.191 119.094 120.200 0.142 0.000 2.097 606 E HA -0.263 4.088 4.350 0.001 0.000 0.196 606 E C 1.659 178.399 176.600 0.233 0.000 1.000 606 E CA 1.235 57.730 56.400 0.158 0.000 0.804 606 E CB -0.283 29.502 29.700 0.141 0.000 0.740 606 E HN 0.532 nan 8.360 nan 0.000 0.454 607 Y N 0.786 121.163 120.300 0.127 0.000 2.133 607 Y HA -0.182 4.368 4.550 0.001 0.000 0.287 607 Y C 2.176 178.164 175.900 0.148 0.000 1.134 607 Y CA 1.695 59.888 58.100 0.154 0.000 1.133 607 Y CB -0.226 38.300 38.460 0.110 0.000 0.987 607 Y HN -0.022 nan 8.280 nan 0.000 0.502 608 A N -1.273 121.663 122.820 0.193 0.000 2.167 608 A HA -0.111 4.210 4.320 0.001 0.000 0.214 608 A C 1.904 179.487 177.584 -0.001 0.000 1.151 608 A CA 0.774 52.835 52.037 0.039 0.000 0.735 608 A CB -1.267 17.871 19.000 0.229 0.000 0.802 608 A HN 0.709 nan 8.150 nan 0.000 0.467 609 Y N 0.878 121.150 120.300 -0.046 0.000 2.097 609 Y HA -0.178 4.373 4.550 0.001 0.000 0.282 609 Y C 2.637 178.479 175.900 -0.097 0.000 1.152 609 Y CA 1.419 59.465 58.100 -0.089 0.000 1.136 609 Y CB -0.617 37.766 38.460 -0.128 0.000 0.975 609 Y HN 0.312 nan 8.280 nan 0.000 0.498 610 A N 0.381 123.194 122.820 -0.012 0.000 1.940 610 A HA -0.188 4.133 4.320 0.001 0.000 0.219 610 A C 2.439 179.973 177.584 -0.084 0.000 1.176 610 A CA 2.143 54.190 52.037 0.016 0.000 0.631 610 A CB -1.551 17.574 19.000 0.209 0.000 0.814 610 A HN 0.623 nan 8.150 nan 0.000 0.446 611 A N 0.702 123.316 122.820 -0.343 0.000 1.883 611 A HA -0.205 4.115 4.320 0.001 0.000 0.217 611 A C 1.991 179.387 177.584 -0.313 0.000 1.186 611 A CA 1.925 53.547 52.037 -0.691 0.000 0.624 611 A CB -0.652 17.623 19.000 -1.208 0.000 0.822 611 A HN 0.816 nan 8.150 nan 0.000 0.444 612 E N -0.886 119.155 120.200 -0.265 0.000 2.216 612 E HA -0.072 4.279 4.350 0.001 0.000 0.192 612 E C 1.528 178.016 176.600 -0.187 0.000 0.988 612 E CA 0.697 56.980 56.400 -0.194 0.000 0.834 612 E CB -0.365 29.231 29.700 -0.172 0.000 0.772 612 E HN 0.279 nan 8.360 nan 0.000 0.479 613 L N 1.084 122.137 121.223 -0.283 0.000 2.263 613 L HA -0.081 4.260 4.340 0.001 0.000 0.216 613 L C 1.938 178.796 176.870 -0.021 0.000 1.111 613 L CA 1.714 56.442 54.840 -0.187 0.000 0.773 613 L CB -0.570 41.363 42.059 -0.210 0.000 0.906 613 L HN 0.395 nan 8.230 nan 0.000 0.439 614 A N -1.950 120.881 122.820 0.017 0.000 2.630 614 A HA 0.548 4.869 4.320 0.001 0.000 0.290 614 A C 1.456 179.194 177.584 0.256 0.000 1.267 614 A CA 0.358 52.477 52.037 0.138 0.000 0.950 614 A CB -0.542 18.556 19.000 0.163 0.000 1.144 614 A HN 0.452 nan 8.150 nan 0.000 0.527 615 G N -0.901 107.997 108.800 0.163 0.000 2.160 615 G HA2 -0.163 3.797 3.960 0.001 0.000 0.251 615 G HA3 -0.163 3.797 3.960 0.001 0.000 0.251 615 G C -0.137 174.766 174.900 0.006 0.000 1.008 615 G CA 0.602 45.776 45.100 0.122 0.000 0.724 615 G HN 1.255 nan 8.290 nan 0.000 0.514 616 L N 1.658 122.884 121.223 0.005 0.000 2.372 616 L HA 0.805 5.145 4.340 0.001 0.000 0.273 616 L C 0.112 176.927 176.870 -0.092 0.000 0.989 616 L CA -0.053 54.759 54.840 -0.047 0.000 0.841 616 L CB 1.750 43.785 42.059 -0.041 0.000 1.225 616 L HN 0.709 nan 8.230 nan 0.000 0.414 617 S N 3.459 119.123 115.700 -0.061 0.000 2.667 617 S HA 0.833 5.303 4.470 0.001 0.000 0.292 617 S C -0.885 173.756 174.600 0.070 0.000 1.126 617 S CA -0.592 57.598 58.200 -0.016 0.000 0.881 617 S CB 1.713 64.871 63.200 -0.071 0.000 1.132 617 S HN 0.719 nan 8.310 nan 0.000 0.492 618 Y N -0.689 119.548 120.300 -0.106 0.000 2.638 618 Y HA 0.844 5.395 4.550 0.001 0.000 0.339 618 Y C -1.715 174.133 175.900 -0.086 0.000 1.084 618 Y CA -0.913 57.128 58.100 -0.098 0.000 1.068 618 Y CB 1.782 40.185 38.460 -0.094 0.000 1.294 618 Y HN 0.655 nan 8.280 nan 0.000 0.480 619 D N 2.075 122.339 120.400 -0.226 0.000 2.855 619 D HA 0.391 5.031 4.640 0.001 0.000 0.241 619 D C -2.278 173.946 176.300 -0.127 0.000 1.277 619 D CA -0.148 53.700 54.000 -0.254 0.000 0.918 619 D CB 2.272 43.016 40.800 -0.094 0.000 1.462 619 D HN 0.660 nan 8.370 nan 0.000 0.559 620 L N 4.251 125.403 121.223 -0.119 0.000 2.439 620 L HA 0.499 4.839 4.340 0.001 0.000 0.270 620 L C -1.429 175.447 176.870 0.010 0.000 0.972 620 L CA -0.163 54.671 54.840 -0.010 0.000 0.836 620 L CB 1.496 43.581 42.059 0.043 0.000 1.255 620 L HN 0.523 nan 8.230 nan 0.000 0.404 621 Q N 3.176 123.054 119.800 0.131 0.000 2.391 621 Q HA 0.460 4.800 4.340 0.001 0.000 0.279 621 Q C -1.574 174.545 176.000 0.198 0.000 1.028 621 Q CA -0.926 54.956 55.803 0.131 0.000 0.836 621 Q CB 1.597 30.435 28.738 0.167 0.000 1.414 621 Q HN 0.669 nan 8.270 nan 0.000 0.397 622 N N 1.441 120.244 118.700 0.170 0.000 2.513 622 N HA 0.133 4.873 4.740 0.001 0.000 0.268 622 N C -0.375 175.276 175.510 0.236 0.000 1.180 622 N CA 0.322 53.515 53.050 0.240 0.000 0.948 622 N CB 1.283 39.939 38.487 0.281 0.000 1.083 622 N HN 0.813 nan 8.380 nan 0.000 0.455 623 T N -2.198 112.498 114.554 0.236 0.000 2.919 623 T HA 0.410 4.760 4.350 0.001 0.000 0.282 623 T C 1.753 176.492 174.700 0.065 0.000 1.020 623 T CA -0.917 61.268 62.100 0.141 0.000 0.994 623 T CB 0.552 69.522 68.868 0.170 0.000 1.180 623 T HN 0.506 nan 8.240 nan 0.000 0.566 624 I N -1.636 118.808 120.570 -0.209 0.000 2.286 624 I HA -0.041 4.129 4.170 0.001 0.000 0.248 624 I C 1.859 177.824 176.117 -0.253 0.000 1.115 624 I CA 1.097 62.005 61.300 -0.653 0.000 1.392 624 I CB -0.784 36.664 38.000 -0.920 0.000 1.065 624 I HN 0.514 nan 8.210 nan 0.000 0.418 625 Y N 1.845 122.222 120.300 0.127 0.000 2.144 625 Y HA 0.236 4.786 4.550 0.001 0.000 0.279 625 Y C 2.439 178.527 175.900 0.314 0.000 1.099 625 Y CA 1.445 59.690 58.100 0.241 0.000 1.087 625 Y CB -1.061 37.579 38.460 0.301 0.000 1.007 625 Y HN 0.191 nan 8.280 nan 0.000 0.482 626 G N -1.876 107.198 108.800 0.457 0.000 2.474 626 G HA2 0.517 4.477 3.960 0.001 0.000 0.182 626 G HA3 0.517 4.477 3.960 0.001 0.000 0.182 626 G C -0.266 174.849 174.900 0.358 0.000 1.702 626 G CA -0.161 45.180 45.100 0.401 0.000 0.708 626 G HN 0.108 nan 8.290 nan 0.000 0.753 627 M N -2.047 117.759 119.600 0.343 0.000 3.604 627 M HA 0.544 5.024 4.480 0.001 0.000 0.301 627 M C -2.280 174.300 176.300 0.468 0.000 1.414 627 M CA -0.659 54.850 55.300 0.349 0.000 0.860 627 M CB 2.804 35.568 32.600 0.273 0.000 1.797 627 M HN 0.365 nan 8.290 nan 0.000 0.489 628 Y N 1.101 121.586 120.300 0.308 0.000 2.376 628 Y HA 0.716 5.266 4.550 0.001 0.000 0.321 628 Y C -2.531 173.530 175.900 0.268 0.000 1.189 628 Y CA -1.079 57.201 58.100 0.300 0.000 1.069 628 Y CB 1.370 39.972 38.460 0.237 0.000 1.292 628 Y HN 0.628 nan 8.280 nan 0.000 0.430 629 L N 4.988 125.998 121.223 -0.354 0.000 2.464 629 L HA 0.839 5.179 4.340 0.001 0.000 0.266 629 L C -1.568 175.031 176.870 -0.452 0.000 0.965 629 L CA -0.142 54.538 54.840 -0.267 0.000 0.833 629 L CB 2.301 44.443 42.059 0.138 0.000 1.296 629 L HN 0.573 nan 8.230 nan 0.000 0.405 630 S N 3.386 118.854 115.700 -0.386 0.000 2.557 630 S HA 0.854 5.324 4.470 0.001 0.000 0.291 630 S C -1.485 173.083 174.600 -0.053 0.000 1.116 630 S CA -0.466 57.572 58.200 -0.271 0.000 0.992 630 S CB 1.493 64.488 63.200 -0.342 0.000 1.028 630 S HN 0.474 nan 8.310 nan 0.000 0.484 631 V N 6.172 126.085 119.914 -0.001 0.000 2.409 631 V HA 0.568 4.689 4.120 0.001 0.000 0.291 631 V C -0.466 175.616 176.094 -0.020 0.000 1.020 631 V CA -0.657 61.664 62.300 0.036 0.000 0.848 631 V CB 1.480 33.347 31.823 0.074 0.000 0.990 631 V HN 0.809 nan 8.190 nan 0.000 0.430 632 K N 3.090 123.465 120.400 -0.042 0.000 2.385 632 K HA 0.925 5.245 4.320 0.001 0.000 0.248 632 K C 0.122 176.658 176.600 -0.106 0.000 0.955 632 K CA -0.488 55.748 56.287 -0.086 0.000 0.816 632 K CB 2.817 35.251 32.500 -0.110 0.000 1.250 632 K HN 0.974 nan 8.250 nan 0.000 0.434 633 G N 0.551 109.258 108.800 -0.155 0.000 2.270 633 G HA2 -0.090 3.870 3.960 0.001 0.000 0.268 633 G HA3 -0.090 3.870 3.960 0.001 0.000 0.268 633 G C -1.651 173.116 174.900 -0.222 0.000 1.312 633 G CA -1.076 43.872 45.100 -0.253 0.000 1.050 633 G HN 0.357 nan 8.290 nan 0.000 0.474 634 Y N 1.919 122.215 120.300 -0.006 0.000 2.620 634 Y HA 0.182 4.733 4.550 0.001 0.000 0.330 634 Y C 1.973 177.864 175.900 -0.014 0.000 1.186 634 Y CA 0.658 58.755 58.100 -0.006 0.000 1.467 634 Y CB 0.573 39.057 38.460 0.041 0.000 1.262 634 Y HN 0.669 nan 8.280 nan 0.000 0.550 635 N N 0.089 118.859 118.700 0.117 0.000 2.457 635 N HA -0.154 4.586 4.740 0.001 0.000 0.180 635 N C 1.070 176.612 175.510 0.054 0.000 1.050 635 N CA 1.182 54.270 53.050 0.062 0.000 0.906 635 N CB -0.229 38.282 38.487 0.040 0.000 0.968 635 N HN 0.697 nan 8.380 nan 0.000 0.445 636 D N 0.936 121.359 120.400 0.038 0.000 2.104 636 D HA -0.143 4.498 4.640 0.001 0.000 0.194 636 D C 0.878 177.194 176.300 0.027 0.000 0.994 636 D CA 1.356 55.344 54.000 -0.019 0.000 0.830 636 D CB 0.054 40.777 40.800 -0.128 0.000 0.959 636 D HN 0.356 nan 8.370 nan 0.000 0.452 637 K N -0.403 120.052 120.400 0.091 0.000 2.387 637 K HA 0.156 4.476 4.320 0.001 0.000 0.203 637 K C 1.788 178.492 176.600 0.174 0.000 1.030 637 K CA -0.216 56.164 56.287 0.155 0.000 1.099 637 K CB 0.603 33.273 32.500 0.284 0.000 0.863 637 K HN 0.212 nan 8.250 nan 0.000 0.529 638 Q N 1.034 120.901 119.800 0.113 0.000 2.030 638 Q HA -0.147 4.194 4.340 0.001 0.000 0.204 638 Q C -0.974 175.077 176.000 0.084 0.000 0.986 638 Q CA 1.803 57.658 55.803 0.087 0.000 0.843 638 Q CB -0.817 27.961 28.738 0.067 0.000 0.904 638 Q HN 0.142 nan 8.270 nan 0.000 0.420 639 P HA -0.196 nan 4.420 nan 0.000 0.216 639 P C 0.949 178.289 177.300 0.066 0.000 1.150 639 P CA 1.260 64.396 63.100 0.060 0.000 0.843 639 P CB -0.064 31.664 31.700 0.047 0.000 0.787 640 I N -1.306 119.329 120.570 0.109 0.000 2.099 640 I HA -0.243 3.927 4.170 0.001 0.000 0.239 640 I C 2.483 178.714 176.117 0.190 0.000 1.066 640 I CA 1.378 62.769 61.300 0.152 0.000 1.324 640 I CB -0.788 37.329 38.000 0.194 0.000 1.037 640 I HN -0.061 nan 8.210 nan 0.000 0.401 641 L N 0.495 121.865 121.223 0.244 0.000 1.989 641 L HA -0.255 4.085 4.340 0.001 0.000 0.211 641 L C 2.637 179.494 176.870 -0.023 0.000 1.071 641 L CA 1.772 56.700 54.840 0.147 0.000 0.749 641 L CB -0.377 41.676 42.059 -0.010 0.000 0.890 641 L HN 0.282 nan 8.230 nan 0.000 0.431 642 L N 0.683 121.888 121.223 -0.029 0.000 2.013 642 L HA -0.300 4.041 4.340 0.001 0.000 0.212 642 L C 2.607 179.409 176.870 -0.114 0.000 1.073 642 L CA 2.236 57.026 54.840 -0.083 0.000 0.753 642 L CB -0.801 41.242 42.059 -0.026 0.000 0.890 642 L HN 0.227 nan 8.230 nan 0.000 0.432 643 K N -0.592 119.768 120.400 -0.067 0.000 2.063 643 K HA -0.283 4.037 4.320 0.001 0.000 0.208 643 K C 2.311 178.832 176.600 -0.131 0.000 1.048 643 K CA 1.858 58.093 56.287 -0.086 0.000 0.928 643 K CB -0.150 32.322 32.500 -0.046 0.000 0.713 643 K HN 0.225 nan 8.250 nan 0.000 0.442 644 K N 0.999 121.324 120.400 -0.125 0.000 2.063 644 K HA -0.111 4.209 4.320 0.001 0.000 0.208 644 K C 1.831 178.279 176.600 -0.254 0.000 1.048 644 K CA 1.567 57.728 56.287 -0.211 0.000 0.928 644 K CB -0.191 32.150 32.500 -0.266 0.000 0.713 644 K HN 0.205 nan 8.250 nan 0.000 0.442 645 I N 0.575 120.985 120.570 -0.265 0.000 2.127 645 I HA -0.289 3.882 4.170 0.001 0.000 0.241 645 I C 1.919 177.877 176.117 -0.266 0.000 1.075 645 I CA 0.952 62.061 61.300 -0.318 0.000 1.334 645 I CB -0.328 37.435 38.000 -0.394 0.000 1.040 645 I HN 0.150 nan 8.210 nan 0.000 0.405 646 I N 0.514 120.943 120.570 -0.234 0.000 2.286 646 I HA -0.228 3.943 4.170 0.001 0.000 0.248 646 I C 2.440 178.430 176.117 -0.212 0.000 1.115 646 I CA 1.560 62.731 61.300 -0.215 0.000 1.392 646 I CB -1.303 36.589 38.000 -0.181 0.000 1.065 646 I HN 0.368 nan 8.210 nan 0.000 0.418 647 E N 0.947 121.007 120.200 -0.232 0.000 2.031 647 E HA -0.222 4.128 4.350 0.001 0.000 0.193 647 E C 2.232 178.695 176.600 -0.228 0.000 0.994 647 E CA 1.144 57.368 56.400 -0.293 0.000 0.800 647 E CB -0.014 29.518 29.700 -0.281 0.000 0.752 647 E HN 0.337 nan 8.360 nan 0.000 0.447 648 K N 0.271 120.559 120.400 -0.186 0.000 2.097 648 K HA -0.156 4.165 4.320 0.001 0.000 0.206 648 K C 2.182 178.747 176.600 -0.059 0.000 1.049 648 K CA 0.948 57.174 56.287 -0.102 0.000 0.933 648 K CB -0.137 32.282 32.500 -0.135 0.000 0.717 648 K HN 0.133 nan 8.250 nan 0.000 0.442 649 M N -0.020 119.494 119.600 -0.143 0.000 2.082 649 M HA -0.204 4.276 4.480 0.001 0.000 0.258 649 M C 1.742 178.068 176.300 0.044 0.000 1.069 649 M CA 2.051 57.293 55.300 -0.097 0.000 1.102 649 M CB -0.040 32.447 32.600 -0.189 0.000 1.336 649 M HN 0.122 nan 8.290 nan 0.000 0.404 650 A N -2.337 120.465 122.820 -0.030 0.000 2.275 650 A HA 0.093 4.413 4.320 0.001 0.000 0.212 650 A C 1.434 179.043 177.584 0.041 0.000 1.201 650 A CA 0.972 53.007 52.037 -0.005 0.000 0.843 650 A CB -0.121 18.857 19.000 -0.037 0.000 0.873 650 A HN 0.493 nan 8.150 nan 0.000 0.492 651 T N -1.636 112.954 114.554 0.061 0.000 3.186 651 T HA 0.207 4.558 4.350 0.001 0.000 0.292 651 T C -0.185 174.588 174.700 0.121 0.000 0.915 651 T CA -0.541 61.600 62.100 0.069 0.000 0.902 651 T CB -0.252 68.611 68.868 -0.009 0.000 1.192 651 T HN 0.282 nan 8.240 nan 0.000 0.563 652 F N 5.036 124.986 119.950 -0.001 0.000 2.612 652 F HA 0.145 4.672 4.527 0.001 0.000 0.389 652 F C 0.558 176.368 175.800 0.016 0.000 1.055 652 F CA -0.807 57.208 58.000 0.025 0.000 1.232 652 F CB 0.328 39.398 39.000 0.116 0.000 1.044 652 F HN 0.206 nan 8.300 nan 0.000 0.560 653 E N 6.624 126.530 120.200 -0.489 0.000 2.182 653 E HA 0.435 4.785 4.350 0.001 0.000 0.258 653 E C -0.794 175.377 176.600 -0.714 0.000 0.879 653 E CA -0.759 55.352 56.400 -0.481 0.000 0.754 653 E CB 1.255 30.822 29.700 -0.223 0.000 1.162 653 E HN 0.517 nan 8.360 nan 0.000 0.419 654 I N 2.373 122.537 120.570 -0.678 0.000 2.692 654 I HA -0.007 4.163 4.170 0.001 0.000 0.284 654 I C 0.484 176.454 176.117 -0.246 0.000 1.159 654 I CA 0.107 61.093 61.300 -0.522 0.000 1.423 654 I CB 0.428 38.255 38.000 -0.287 0.000 1.380 654 I HN 0.607 nan 8.210 nan 0.000 0.580 655 D N 5.230 125.559 120.400 -0.118 0.000 2.249 655 D HA 0.037 4.678 4.640 0.001 0.000 0.246 655 D C 0.796 177.121 176.300 0.041 0.000 1.114 655 D CA -0.117 53.863 54.000 -0.033 0.000 0.854 655 D CB 1.319 42.120 40.800 0.002 0.000 1.132 655 D HN 0.601 nan 8.370 nan 0.000 0.461 656 E N 3.093 123.308 120.200 0.025 0.000 2.077 656 E HA -0.189 4.162 4.350 0.001 0.000 0.193 656 E C 1.260 177.957 176.600 0.163 0.000 0.989 656 E CA 1.020 57.472 56.400 0.087 0.000 0.800 656 E CB 0.346 30.067 29.700 0.035 0.000 0.746 656 E HN 0.391 nan 8.360 nan 0.000 0.452 657 K N 0.325 120.779 120.400 0.091 0.000 2.025 657 K HA -0.106 4.215 4.320 0.001 0.000 0.207 657 K C 2.185 178.836 176.600 0.086 0.000 1.049 657 K CA 0.642 56.972 56.287 0.072 0.000 0.933 657 K CB -0.314 32.200 32.500 0.023 0.000 0.714 657 K HN 0.075 nan 8.250 nan 0.000 0.438 658 R N 0.659 121.215 120.500 0.092 0.000 2.091 658 R HA -0.121 4.219 4.340 0.001 0.000 0.238 658 R C 2.267 178.651 176.300 0.140 0.000 1.136 658 R CA 1.124 57.284 56.100 0.101 0.000 0.959 658 R CB -0.844 29.522 30.300 0.110 0.000 0.856 658 R HN 0.260 nan 8.270 nan 0.000 0.437 659 F N 2.415 122.392 119.950 0.046 0.000 2.095 659 F HA -0.186 4.341 4.527 0.001 0.000 0.298 659 F C 2.209 178.046 175.800 0.061 0.000 1.104 659 F CA 1.596 59.631 58.000 0.059 0.000 1.232 659 F CB -0.069 38.958 39.000 0.045 0.000 0.987 659 F HN -0.069 nan 8.300 nan 0.000 0.475 660 E N 0.571 120.737 120.200 -0.056 0.000 2.106 660 E HA -0.145 4.206 4.350 0.001 0.000 0.192 660 E C 2.471 178.997 176.600 -0.123 0.000 0.984 660 E CA 1.367 57.672 56.400 -0.159 0.000 0.806 660 E CB -0.395 29.326 29.700 0.035 0.000 0.750 660 E HN 0.524 nan 8.360 nan 0.000 0.458 661 I N 0.732 121.276 120.570 -0.043 0.000 2.142 661 I HA -0.259 3.911 4.170 0.001 0.000 0.240 661 I C 2.409 178.514 176.117 -0.019 0.000 1.078 661 I CA 0.974 62.265 61.300 -0.014 0.000 1.343 661 I CB -0.189 37.820 38.000 0.015 0.000 1.046 661 I HN 0.027 nan 8.210 nan 0.000 0.405 662 I N 0.410 120.964 120.570 -0.027 0.000 2.394 662 I HA -0.282 3.888 4.170 0.001 0.000 0.251 662 I C 2.568 178.693 176.117 0.013 0.000 1.136 662 I CA 1.200 62.503 61.300 0.005 0.000 1.425 662 I CB -0.298 37.710 38.000 0.014 0.000 1.079 662 I HN 0.169 nan 8.210 nan 0.000 0.425 663 K N 1.045 121.372 120.400 -0.122 0.000 2.032 663 K HA -0.276 4.044 4.320 0.001 0.000 0.209 663 K C 2.051 178.646 176.600 -0.008 0.000 1.048 663 K CA 2.153 58.377 56.287 -0.105 0.000 0.927 663 K CB -0.016 32.250 32.500 -0.390 0.000 0.712 663 K HN 0.323 nan 8.250 nan 0.000 0.441 664 E N 0.299 120.477 120.200 -0.036 0.000 2.150 664 E HA -0.117 4.234 4.350 0.001 0.000 0.193 664 E C 1.557 178.168 176.600 0.018 0.000 0.985 664 E CA 1.375 57.766 56.400 -0.015 0.000 0.814 664 E CB -0.216 29.473 29.700 -0.017 0.000 0.752 664 E HN 0.300 nan 8.360 nan 0.000 0.466 665 A N -0.171 122.679 122.820 0.051 0.000 1.969 665 A HA -0.107 4.214 4.320 0.001 0.000 0.218 665 A C 2.101 179.765 177.584 0.133 0.000 1.169 665 A CA 1.315 53.399 52.037 0.078 0.000 0.635 665 A CB -0.888 18.163 19.000 0.084 0.000 0.810 665 A HN 0.510 nan 8.150 nan 0.000 0.445 666 Y N -0.525 119.781 120.300 0.011 0.000 2.286 666 Y HA -0.005 4.545 4.550 0.001 0.000 0.293 666 Y C 2.196 178.063 175.900 -0.056 0.000 1.124 666 Y CA 1.349 59.445 58.100 -0.007 0.000 1.178 666 Y CB -0.414 38.071 38.460 0.041 0.000 1.010 666 Y HN 0.302 nan 8.280 nan 0.000 0.536 667 M N -0.240 119.273 119.600 -0.146 0.000 2.065 667 M HA -0.303 4.177 4.480 0.001 0.000 0.259 667 M C 2.393 178.597 176.300 -0.160 0.000 1.071 667 M CA 2.073 57.247 55.300 -0.210 0.000 1.109 667 M CB -0.208 32.331 32.600 -0.101 0.000 1.313 667 M HN 0.179 nan 8.290 nan 0.000 0.408 668 R N -0.729 119.727 120.500 -0.073 0.000 2.080 668 R HA -0.173 4.168 4.340 0.001 0.000 0.236 668 R C 2.439 178.717 176.300 -0.037 0.000 1.137 668 R CA 1.976 58.052 56.100 -0.040 0.000 0.943 668 R CB -0.749 29.547 30.300 -0.007 0.000 0.846 668 R HN 0.496 nan 8.270 nan 0.000 0.431 669 S N 0.903 116.591 115.700 -0.020 0.000 2.374 669 S HA -0.173 4.297 4.470 0.001 0.000 0.227 669 S C 2.016 176.581 174.600 -0.058 0.000 1.037 669 S CA 1.213 59.413 58.200 0.001 0.000 1.024 669 S CB -0.267 62.975 63.200 0.069 0.000 0.861 669 S HN 0.277 nan 8.310 nan 0.000 0.456 670 L N 2.324 123.430 121.223 -0.194 0.000 1.994 670 L HA -0.151 4.189 4.340 0.001 0.000 0.208 670 L C 2.565 179.370 176.870 -0.109 0.000 1.071 670 L CA 1.984 56.678 54.840 -0.242 0.000 0.745 670 L CB -0.779 41.017 42.059 -0.438 0.000 0.892 670 L HN 0.677 nan 8.230 nan 0.000 0.431 671 N N -1.376 117.278 118.700 -0.077 0.000 2.494 671 N HA -0.141 4.599 4.740 0.001 0.000 0.182 671 N C 1.089 176.624 175.510 0.042 0.000 1.076 671 N CA 0.400 53.444 53.050 -0.009 0.000 0.908 671 N CB -0.337 38.142 38.487 -0.014 0.000 0.967 671 N HN 0.292 nan 8.380 nan 0.000 0.449 672 N N 0.885 119.609 118.700 0.040 0.000 2.585 672 N HA -0.103 4.638 4.740 0.001 0.000 0.188 672 N C 0.837 176.407 175.510 0.099 0.000 1.102 672 N CA 0.370 53.457 53.050 0.061 0.000 0.920 672 N CB -0.457 38.062 38.487 0.052 0.000 0.963 672 N HN 0.301 nan 8.380 nan 0.000 0.447 673 F N 1.937 121.856 119.950 -0.051 0.000 2.293 673 F HA -0.019 4.509 4.527 0.001 0.000 0.300 673 F C 2.284 178.125 175.800 0.068 0.000 1.086 673 F CA 0.739 58.700 58.000 -0.065 0.000 1.375 673 F CB -0.022 38.838 39.000 -0.233 0.000 1.045 673 F HN -0.048 nan 8.300 nan 0.000 0.516 674 R N 0.579 121.146 120.500 0.111 0.000 2.174 674 R HA -0.217 4.123 4.340 0.001 0.000 0.253 674 R C 1.588 177.952 176.300 0.108 0.000 1.165 674 R CA 1.594 57.770 56.100 0.128 0.000 0.984 674 R CB -0.558 29.801 30.300 0.098 0.000 0.873 674 R HN 0.345 nan 8.270 nan 0.000 0.456 675 A N -0.096 122.751 122.820 0.045 0.000 2.387 675 A HA 0.132 4.453 4.320 0.001 0.000 0.234 675 A C 0.176 177.790 177.584 0.050 0.000 1.253 675 A CA -0.367 51.709 52.037 0.066 0.000 0.894 675 A CB 0.203 19.236 19.000 0.055 0.000 0.963 675 A HN 0.216 nan 8.150 nan 0.000 0.508 676 E N 0.166 120.253 120.200 -0.189 0.000 2.397 676 E HA 0.326 4.676 4.350 0.001 0.000 0.254 676 E C 0.224 176.447 176.600 -0.629 0.000 1.231 676 E CA -0.084 56.091 56.400 -0.375 0.000 0.954 676 E CB 0.235 29.525 29.700 -0.683 0.000 1.024 676 E HN 0.423 nan 8.360 nan 0.000 0.481 677 Q N 1.139 120.552 119.800 -0.644 0.000 2.394 677 Q HA 0.132 4.472 4.340 0.001 0.000 0.248 677 Q C -1.804 173.756 176.000 -0.734 0.000 0.992 677 Q CA -1.014 54.323 55.803 -0.776 0.000 0.888 677 Q CB 0.854 29.338 28.738 -0.423 0.000 1.257 677 Q HN 0.257 nan 8.270 nan 0.000 0.462 678 P HA -0.244 nan 4.420 nan 0.000 0.216 678 P C 0.608 177.853 177.300 -0.093 0.000 1.153 678 P CA 1.586 64.516 63.100 -0.284 0.000 0.858 678 P CB -0.044 31.598 31.700 -0.098 0.000 0.789 679 H N -0.493 118.526 119.070 -0.085 0.000 2.457 679 H HA -0.030 4.527 4.556 0.001 0.000 0.294 679 H C 1.566 176.907 175.328 0.021 0.000 1.064 679 H CA 1.187 57.237 56.048 0.003 0.000 1.330 679 H CB -0.772 28.992 29.762 0.003 0.000 1.395 679 H HN 0.214 nan 8.280 nan 0.000 0.541 680 Q N 0.244 119.632 119.800 -0.685 0.000 2.123 680 Q HA -0.069 4.271 4.340 0.001 0.000 0.199 680 Q C 2.191 178.188 176.000 -0.005 0.000 0.966 680 Q CA 0.939 56.515 55.803 -0.379 0.000 0.845 680 Q CB -0.048 28.423 28.738 -0.445 0.000 0.907 680 Q HN 0.749 nan 8.270 nan 0.000 0.439 681 H N -0.161 118.783 119.070 -0.210 0.000 2.319 681 H HA -0.136 4.420 4.556 0.001 0.000 0.299 681 H C 2.161 177.507 175.328 0.029 0.000 1.092 681 H CA 0.566 56.544 56.048 -0.115 0.000 1.302 681 H CB 0.092 29.833 29.762 -0.034 0.000 1.373 681 H HN 0.324 nan 8.280 nan 0.000 0.497 682 A N 1.471 124.460 122.820 0.282 0.000 1.869 682 A HA -0.271 4.049 4.320 0.001 0.000 0.218 682 A C 2.476 180.198 177.584 0.230 0.000 1.203 682 A CA 2.181 54.408 52.037 0.316 0.000 0.638 682 A CB -0.850 18.307 19.000 0.261 0.000 0.831 682 A HN 0.312 nan 8.150 nan 0.000 0.450 683 M N -2.354 117.336 119.600 0.150 0.000 2.108 683 M HA -0.159 4.322 4.480 0.001 0.000 0.261 683 M C 2.264 178.613 176.300 0.081 0.000 1.066 683 M CA 2.143 57.499 55.300 0.094 0.000 1.107 683 M CB -0.606 32.029 32.600 0.060 0.000 1.356 683 M HN 0.625 nan 8.290 nan 0.000 0.406 684 Y N 0.487 120.762 120.300 -0.042 0.000 2.114 684 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 684 Y C 2.000 177.816 175.900 -0.140 0.000 1.143 684 Y CA 1.613 59.634 58.100 -0.132 0.000 1.135 684 Y CB -0.677 37.691 38.460 -0.153 0.000 0.980 684 Y HN 0.116 nan 8.280 nan 0.000 0.499 685 Y N -0.308 119.927 120.300 -0.107 0.000 2.293 685 Y HA -0.213 4.337 4.550 0.001 0.000 0.291 685 Y C 2.667 178.410 175.900 -0.261 0.000 1.137 685 Y CA 1.080 59.017 58.100 -0.271 0.000 1.202 685 Y CB -0.881 37.590 38.460 0.018 0.000 0.990 685 Y HN 0.212 nan 8.280 nan 0.000 0.537 686 L N -0.135 121.101 121.223 0.023 0.000 2.046 686 L HA -0.252 4.088 4.340 0.001 0.000 0.208 686 L C 2.601 179.404 176.870 -0.111 0.000 1.077 686 L CA 1.597 56.421 54.840 -0.026 0.000 0.747 686 L CB -0.310 41.751 42.059 0.004 0.000 0.896 686 L HN 0.199 nan 8.230 nan 0.000 0.432 687 R N -0.517 119.896 120.500 -0.145 0.000 2.080 687 R HA -0.224 4.116 4.340 0.001 0.000 0.236 687 R C 2.272 178.445 176.300 -0.211 0.000 1.137 687 R CA 1.531 57.529 56.100 -0.170 0.000 0.943 687 R CB -0.295 29.912 30.300 -0.155 0.000 0.846 687 R HN 0.176 nan 8.270 nan 0.000 0.431 688 L N 0.750 121.787 121.223 -0.310 0.000 2.021 688 L HA -0.229 4.112 4.340 0.001 0.000 0.215 688 L C 2.245 178.978 176.870 -0.228 0.000 1.074 688 L CA 1.724 56.374 54.840 -0.317 0.000 0.760 688 L CB -0.687 41.112 42.059 -0.432 0.000 0.889 688 L HN 0.290 nan 8.230 nan 0.000 0.433 689 L N -2.163 118.932 121.223 -0.213 0.000 2.093 689 L HA -0.187 4.153 4.340 0.001 0.000 0.208 689 L C 2.180 179.074 176.870 0.041 0.000 1.085 689 L CA 0.789 55.552 54.840 -0.128 0.000 0.755 689 L CB -0.284 41.626 42.059 -0.249 0.000 0.904 689 L HN 0.290 nan 8.230 nan 0.000 0.435 690 M N -1.530 118.069 119.600 -0.002 0.000 2.509 690 M HA 0.076 4.557 4.480 0.001 0.000 0.250 690 M C 0.965 177.268 176.300 0.005 0.000 1.132 690 M CA 0.484 55.820 55.300 0.060 0.000 1.080 690 M CB -0.524 32.107 32.600 0.051 0.000 1.408 690 M HN 0.056 nan 8.290 nan 0.000 0.484 691 T N -0.101 114.408 114.554 -0.075 0.000 2.824 691 T HA 0.185 4.535 4.350 0.001 0.000 0.280 691 T C 1.000 175.594 174.700 -0.177 0.000 0.995 691 T CA -0.367 61.662 62.100 -0.119 0.000 1.009 691 T CB 1.935 70.701 68.868 -0.171 0.000 0.955 691 T HN 0.379 nan 8.240 nan 0.000 0.452 692 E N 2.918 123.024 120.200 -0.157 0.000 2.033 692 E HA -0.091 4.259 4.350 0.001 0.000 0.199 692 E C -0.030 176.389 176.600 -0.301 0.000 1.011 692 E CA 1.304 57.609 56.400 -0.158 0.000 0.815 692 E CB 0.128 29.811 29.700 -0.028 0.000 0.755 692 E HN 0.487 nan 8.360 nan 0.000 0.451 693 V N 0.231 119.803 119.914 -0.570 0.000 2.459 693 V HA 0.663 4.784 4.120 0.001 0.000 0.295 693 V C -0.486 175.164 176.094 -0.740 0.000 1.029 693 V CA -0.079 61.788 62.300 -0.721 0.000 0.874 693 V CB 1.301 32.669 31.823 -0.759 0.000 0.985 693 V HN 0.379 nan 8.190 nan 0.000 0.438 694 A N 4.463 126.856 122.820 -0.712 0.000 2.512 694 A HA 0.669 4.990 4.320 0.001 0.000 0.294 694 A C -1.682 175.612 177.584 -0.484 0.000 1.054 694 A CA -0.639 51.113 52.037 -0.474 0.000 0.756 694 A CB 0.821 19.631 19.000 -0.318 0.000 1.293 694 A HN 0.785 nan 8.150 nan 0.000 0.395 695 W N 2.250 123.551 121.300 0.002 0.000 2.390 695 W HA 0.520 5.180 4.660 0.001 0.000 0.312 695 W C 1.101 177.606 176.519 -0.023 0.000 1.123 695 W CA -0.206 57.090 57.345 -0.081 0.000 1.202 695 W CB 1.901 31.239 29.460 -0.203 0.000 1.251 695 W HN 0.833 nan 8.180 nan 0.000 0.511 696 T N -0.613 114.084 114.554 0.238 0.000 2.788 696 T HA 0.181 4.532 4.350 0.001 0.000 0.287 696 T C 1.034 175.826 174.700 0.153 0.000 1.007 696 T CA -0.526 61.689 62.100 0.191 0.000 1.005 696 T CB 1.177 70.144 68.868 0.165 0.000 1.012 696 T HN 0.501 nan 8.240 nan 0.000 0.530 697 K N 0.460 120.928 120.400 0.115 0.000 2.217 697 K HA -0.068 4.253 4.320 0.001 0.000 0.202 697 K C 1.584 178.166 176.600 -0.030 0.000 1.051 697 K CA 1.009 57.272 56.287 -0.041 0.000 0.952 697 K CB -0.143 32.238 32.500 -0.200 0.000 0.736 697 K HN 0.595 nan 8.250 nan 0.000 0.453 698 D N 1.568 121.988 120.400 0.033 0.000 2.117 698 D HA -0.125 4.515 4.640 0.001 0.000 0.198 698 D C 1.782 178.079 176.300 -0.004 0.000 0.982 698 D CA 1.141 55.153 54.000 0.021 0.000 0.828 698 D CB 0.049 40.886 40.800 0.061 0.000 0.967 698 D HN 0.311 nan 8.370 nan 0.000 0.464 699 E N 0.346 120.555 120.200 0.016 0.000 2.051 699 E HA -0.119 4.231 4.350 0.001 0.000 0.192 699 E C 2.421 178.963 176.600 -0.097 0.000 0.991 699 E CA 0.527 56.909 56.400 -0.030 0.000 0.799 699 E CB -0.093 29.620 29.700 0.022 0.000 0.748 699 E HN 0.217 nan 8.360 nan 0.000 0.449 700 L N 1.035 122.210 121.223 -0.081 0.000 2.012 700 L HA -0.231 4.110 4.340 0.001 0.000 0.210 700 L C 2.655 179.441 176.870 -0.140 0.000 1.073 700 L CA 1.347 56.119 54.840 -0.113 0.000 0.748 700 L CB -0.419 41.594 42.059 -0.077 0.000 0.891 700 L HN 0.055 nan 8.230 nan 0.000 0.431 701 K N -0.010 120.299 120.400 -0.151 0.000 2.103 701 K HA -0.244 4.076 4.320 0.001 0.000 0.207 701 K C 2.095 178.630 176.600 -0.109 0.000 1.048 701 K CA 1.557 57.746 56.287 -0.164 0.000 0.930 701 K CB 0.028 32.447 32.500 -0.136 0.000 0.716 701 K HN 0.315 nan 8.250 nan 0.000 0.444 702 E N -0.279 119.870 120.200 -0.084 0.000 2.046 702 E HA -0.126 4.225 4.350 0.001 0.000 0.190 702 E C 1.704 178.264 176.600 -0.066 0.000 0.982 702 E CA 0.857 57.219 56.400 -0.063 0.000 0.800 702 E CB -0.062 29.607 29.700 -0.052 0.000 0.756 702 E HN 0.382 nan 8.360 nan 0.000 0.449 703 A N 1.409 124.176 122.820 -0.089 0.000 2.121 703 A HA -0.097 4.224 4.320 0.001 0.000 0.218 703 A C 2.129 179.684 177.584 -0.049 0.000 1.154 703 A CA 0.455 52.440 52.037 -0.086 0.000 0.679 703 A CB -0.502 18.411 19.000 -0.144 0.000 0.795 703 A HN 0.369 nan 8.150 nan 0.000 0.458 704 L N -0.550 120.644 121.223 -0.048 0.000 2.131 704 L HA -0.188 4.152 4.340 0.001 0.000 0.210 704 L C 1.500 178.373 176.870 0.006 0.000 1.092 704 L CA 1.753 56.587 54.840 -0.011 0.000 0.759 704 L CB -0.419 41.602 42.059 -0.062 0.000 0.903 704 L HN 0.337 nan 8.230 nan 0.000 0.435 705 D N -0.034 120.360 120.400 -0.010 0.000 2.219 705 D HA -0.153 4.488 4.640 0.001 0.000 0.205 705 D C 1.423 177.740 176.300 0.028 0.000 0.970 705 D CA 0.970 54.973 54.000 0.005 0.000 0.851 705 D CB -0.013 40.783 40.800 -0.006 0.000 0.943 705 D HN 0.383 nan 8.370 nan 0.000 0.488 706 D N -0.290 120.124 120.400 0.022 0.000 2.348 706 D HA 0.001 4.641 4.640 0.001 0.000 0.211 706 D C 0.380 176.715 176.300 0.058 0.000 0.998 706 D CA 0.024 54.044 54.000 0.033 0.000 0.873 706 D CB 0.396 41.205 40.800 0.014 0.000 0.925 706 D HN 0.010 nan 8.370 nan 0.000 0.524 707 V N 0.833 120.794 119.914 0.077 0.000 2.585 707 V HA 0.214 4.334 4.120 0.001 0.000 0.296 707 V C 0.757 176.991 176.094 0.234 0.000 1.035 707 V CA 0.472 62.851 62.300 0.132 0.000 1.084 707 V CB 1.139 33.054 31.823 0.154 0.000 0.953 707 V HN -0.007 nan 8.190 nan 0.000 0.483 708 T N 3.837 118.513 114.554 0.204 0.000 2.894 708 T HA 0.372 4.722 4.350 0.001 0.000 0.309 708 T C 0.639 175.267 174.700 -0.119 0.000 1.208 708 T CA -0.599 61.584 62.100 0.137 0.000 1.016 708 T CB 1.692 70.596 68.868 0.060 0.000 1.192 708 T HN 0.526 nan 8.240 nan 0.000 0.491 709 L N 3.215 124.211 121.223 -0.379 0.000 1.971 709 L HA -0.054 4.286 4.340 0.001 0.000 0.215 709 L C -0.825 175.845 176.870 -0.334 0.000 1.072 709 L CA 2.097 56.519 54.840 -0.696 0.000 0.758 709 L CB -0.840 40.885 42.059 -0.557 0.000 0.889 709 L HN 0.536 nan 8.230 nan 0.000 0.433 710 P HA -0.183 nan 4.420 nan 0.000 0.214 710 P C 1.332 178.591 177.300 -0.068 0.000 1.163 710 P CA 1.446 64.484 63.100 -0.104 0.000 0.889 710 P CB -0.048 31.615 31.700 -0.062 0.000 0.790 711 R N -1.170 119.305 120.500 -0.043 0.000 2.117 711 R HA -0.134 4.206 4.340 0.001 0.000 0.243 711 R C 2.160 178.470 176.300 0.016 0.000 1.143 711 R CA 1.089 57.190 56.100 0.001 0.000 0.968 711 R CB -1.489 28.821 30.300 0.016 0.000 0.863 711 R HN 0.151 nan 8.270 nan 0.000 0.444 712 L N 0.850 122.059 121.223 -0.024 0.000 2.044 712 L HA -0.068 4.273 4.340 0.001 0.000 0.205 712 L C 1.491 178.387 176.870 0.043 0.000 1.075 712 L CA 1.820 56.681 54.840 0.035 0.000 0.747 712 L CB -0.368 41.695 42.059 0.007 0.000 0.903 712 L HN 0.004 nan 8.230 nan 0.000 0.435 713 K N -0.443 119.923 120.400 -0.057 0.000 2.074 713 K HA -0.194 4.127 4.320 0.001 0.000 0.209 713 K C 1.993 178.564 176.600 -0.048 0.000 1.048 713 K CA 1.562 57.808 56.287 -0.068 0.000 0.926 713 K CB -0.416 32.022 32.500 -0.104 0.000 0.713 713 K HN 0.481 nan 8.250 nan 0.000 0.444 714 A N 0.773 123.580 122.820 -0.022 0.000 1.968 714 A HA -0.135 4.185 4.320 0.001 0.000 0.217 714 A C 1.928 179.505 177.584 -0.011 0.000 1.169 714 A CA 0.884 52.912 52.037 -0.015 0.000 0.638 714 A CB -0.543 18.462 19.000 0.009 0.000 0.812 714 A HN 0.391 nan 8.150 nan 0.000 0.446 715 F N 0.865 120.741 119.950 -0.123 0.000 2.186 715 F HA -0.106 4.421 4.527 0.001 0.000 0.299 715 F C 1.786 177.467 175.800 -0.199 0.000 1.090 715 F CA 1.488 59.395 58.000 -0.155 0.000 1.307 715 F CB -0.237 38.656 39.000 -0.178 0.000 1.019 715 F HN 0.182 nan 8.300 nan 0.000 0.489 716 I N 0.932 121.246 120.570 -0.426 0.000 2.142 716 I HA -0.212 3.958 4.170 0.001 0.000 0.240 716 I C -0.530 175.287 176.117 -0.499 0.000 1.078 716 I CA 1.327 62.232 61.300 -0.659 0.000 1.343 716 I CB -1.979 35.718 38.000 -0.505 0.000 1.046 716 I HN 0.085 nan 8.210 nan 0.000 0.405 717 P HA -0.201 nan 4.420 nan 0.000 0.216 717 P C 1.502 178.646 177.300 -0.260 0.000 1.150 717 P CA 1.264 64.238 63.100 -0.209 0.000 0.837 717 P CB -0.004 31.620 31.700 -0.127 0.000 0.786 718 Q N -0.260 119.340 119.800 -0.334 0.000 2.084 718 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 718 Q C 2.021 177.703 176.000 -0.531 0.000 0.978 718 Q CA 1.462 57.015 55.803 -0.417 0.000 0.844 718 Q CB -1.343 27.167 28.738 -0.380 0.000 0.898 718 Q HN 0.147 nan 8.270 nan 0.000 0.426 719 L N -0.565 120.276 121.223 -0.635 0.000 2.017 719 L HA -0.161 4.180 4.340 0.001 0.000 0.208 719 L C 1.742 178.465 176.870 -0.245 0.000 1.073 719 L CA 1.310 55.851 54.840 -0.497 0.000 0.745 719 L CB -0.308 41.267 42.059 -0.806 0.000 0.894 719 L HN 0.344 nan 8.230 nan 0.000 0.432 720 L N -0.027 121.044 121.223 -0.254 0.000 2.217 720 L HA -0.114 4.226 4.340 0.001 0.000 0.211 720 L C 2.939 179.773 176.870 -0.060 0.000 1.107 720 L CA 1.693 56.459 54.840 -0.123 0.000 0.783 720 L CB -0.903 41.083 42.059 -0.123 0.000 0.919 720 L HN 0.396 nan 8.230 nan 0.000 0.442 721 S N -0.645 114.997 115.700 -0.096 0.000 2.387 721 S HA -0.138 4.332 4.470 0.001 0.000 0.230 721 S C 1.118 175.721 174.600 0.006 0.000 1.035 721 S CA 0.794 58.967 58.200 -0.045 0.000 1.014 721 S CB -0.180 62.967 63.200 -0.089 0.000 0.836 721 S HN 0.345 nan 8.310 nan 0.000 0.466 722 R N 0.435 120.945 120.500 0.016 0.000 2.502 722 R HA 0.669 5.010 4.340 0.001 0.000 0.300 722 R C -1.883 174.513 176.300 0.159 0.000 0.984 722 R CA -0.625 55.528 56.100 0.089 0.000 0.882 722 R CB 1.684 32.039 30.300 0.092 0.000 1.180 722 R HN 0.201 nan 8.270 nan 0.000 0.444 723 L N 1.861 123.205 121.223 0.202 0.000 2.466 723 L HA 0.384 4.724 4.340 0.001 0.000 0.258 723 L C -0.768 176.309 176.870 0.346 0.000 0.973 723 L CA -0.817 54.197 54.840 0.290 0.000 0.826 723 L CB 1.680 43.908 42.059 0.282 0.000 1.372 723 L HN 0.610 nan 8.230 nan 0.000 0.409 724 H N 1.967 121.237 119.070 0.333 0.000 2.573 724 H HA 0.819 5.375 4.556 0.001 0.000 0.351 724 H C -1.228 174.352 175.328 0.420 0.000 1.163 724 H CA -0.485 55.764 56.048 0.335 0.000 1.205 724 H CB 1.482 31.414 29.762 0.284 0.000 1.605 724 H HN 0.458 nan 8.280 nan 0.000 0.525 725 I N 3.391 123.731 120.570 -0.382 0.000 2.468 725 I HA 0.202 4.373 4.170 0.001 0.000 0.285 725 I C -0.630 175.318 176.117 -0.281 0.000 1.039 725 I CA -0.488 60.663 61.300 -0.248 0.000 1.074 725 I CB 1.787 39.699 38.000 -0.145 0.000 1.228 725 I HN 0.556 nan 8.210 nan 0.000 0.436 726 E N 5.121 125.346 120.200 0.041 0.000 2.166 726 E HA 0.777 5.128 4.350 0.001 0.000 0.275 726 E C -1.129 175.636 176.600 0.274 0.000 0.941 726 E CA -0.567 55.987 56.400 0.258 0.000 0.784 726 E CB 1.821 31.850 29.700 0.548 0.000 1.115 726 E HN 0.713 nan 8.360 nan 0.000 0.399 727 A N 3.838 126.836 122.820 0.297 0.000 2.435 727 A HA 0.647 4.967 4.320 0.001 0.000 0.304 727 A C -1.808 175.985 177.584 0.349 0.000 1.064 727 A CA -0.721 51.403 52.037 0.145 0.000 0.727 727 A CB 1.330 20.207 19.000 -0.205 0.000 1.284 727 A HN 0.507 nan 8.150 nan 0.000 0.415 728 L N 1.990 123.350 121.223 0.228 0.000 2.349 728 L HA 0.731 5.072 4.340 0.001 0.000 0.278 728 L C -1.864 175.010 176.870 0.008 0.000 0.996 728 L CA -0.461 54.535 54.840 0.260 0.000 0.825 728 L CB 1.459 43.781 42.059 0.439 0.000 1.243 728 L HN 0.477 nan 8.230 nan 0.000 0.412 729 L N 5.900 127.186 121.223 0.105 0.000 2.318 729 L HA 0.499 4.839 4.340 0.001 0.000 0.277 729 L C -0.655 176.332 176.870 0.195 0.000 1.008 729 L CA -0.195 54.710 54.840 0.109 0.000 0.846 729 L CB 0.765 42.930 42.059 0.178 0.000 1.220 729 L HN 0.669 nan 8.230 nan 0.000 0.423 730 H N 2.482 121.556 119.070 0.007 0.000 2.589 730 H HA 0.757 5.313 4.556 0.001 0.000 0.351 730 H C -0.089 175.227 175.328 -0.020 0.000 1.074 730 H CA 0.032 56.061 56.048 -0.031 0.000 1.203 730 H CB 1.927 31.707 29.762 0.029 0.000 1.558 730 H HN 0.689 nan 8.280 nan 0.000 0.522 731 G N 3.311 112.010 108.800 -0.169 0.000 2.334 731 G HA2 -0.204 3.756 3.960 0.001 0.000 0.249 731 G HA3 -0.204 3.756 3.960 0.001 0.000 0.249 731 G C -1.177 173.685 174.900 -0.063 0.000 1.327 731 G CA -0.751 44.212 45.100 -0.228 0.000 0.979 731 G HN 0.594 nan 8.290 nan 0.000 0.471 732 N N 0.661 119.346 118.700 -0.025 0.000 2.895 732 N HA 0.535 5.275 4.740 0.001 0.000 0.277 732 N C -0.424 175.135 175.510 0.082 0.000 1.185 732 N CA 0.124 53.199 53.050 0.040 0.000 1.106 732 N CB -0.430 38.081 38.487 0.040 0.000 1.422 732 N HN 0.752 nan 8.380 nan 0.000 0.521 733 I N -0.274 120.381 120.570 0.142 0.000 3.066 733 I HA 0.355 4.525 4.170 0.001 0.000 0.307 733 I C -0.916 175.392 176.117 0.318 0.000 1.366 733 I CA -0.501 60.919 61.300 0.201 0.000 0.972 733 I CB 2.216 40.349 38.000 0.221 0.000 1.307 733 I HN 0.070 nan 8.210 nan 0.000 0.470 734 T N 3.423 118.098 114.554 0.203 0.000 2.912 734 T HA 0.299 4.649 4.350 0.001 0.000 0.288 734 T C 0.695 175.265 174.700 -0.216 0.000 1.030 734 T CA -0.518 61.655 62.100 0.123 0.000 1.020 734 T CB 1.814 70.715 68.868 0.055 0.000 1.056 734 T HN 0.662 nan 8.240 nan 0.000 0.480 735 K N 1.483 121.641 120.400 -0.403 0.000 2.001 735 K HA -0.179 4.141 4.320 0.001 0.000 0.214 735 K C 2.189 178.498 176.600 -0.486 0.000 1.050 735 K CA 1.849 57.613 56.287 -0.871 0.000 0.934 735 K CB -0.062 32.181 32.500 -0.428 0.000 0.718 735 K HN 0.655 nan 8.250 nan 0.000 0.443 736 Q N -0.039 119.616 119.800 -0.241 0.000 2.135 736 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 736 Q C 1.961 177.885 176.000 -0.125 0.000 0.981 736 Q CA 1.658 57.373 55.803 -0.148 0.000 0.856 736 Q CB -0.641 28.047 28.738 -0.083 0.000 0.902 736 Q HN 0.372 nan 8.270 nan 0.000 0.425 737 A N 1.648 124.401 122.820 -0.112 0.000 1.930 737 A HA 0.084 4.404 4.320 0.001 0.000 0.217 737 A C 2.455 180.004 177.584 -0.059 0.000 1.175 737 A CA 1.919 53.922 52.037 -0.056 0.000 0.627 737 A CB -0.723 18.270 19.000 -0.011 0.000 0.815 737 A HN 0.501 nan 8.150 nan 0.000 0.443 738 A N -0.291 122.441 122.820 -0.146 0.000 1.841 738 A HA 0.002 4.322 4.320 0.001 0.000 0.214 738 A C 1.967 179.507 177.584 -0.074 0.000 1.195 738 A CA 1.623 53.596 52.037 -0.107 0.000 0.611 738 A CB -0.693 18.134 19.000 -0.289 0.000 0.835 738 A HN 0.369 nan 8.150 nan 0.000 0.443 739 L N 0.146 121.284 121.223 -0.141 0.000 2.034 739 L HA -0.221 4.119 4.340 0.001 0.000 0.217 739 L C 2.710 179.559 176.870 -0.035 0.000 1.077 739 L CA 2.140 56.930 54.840 -0.084 0.000 0.769 739 L CB -1.769 40.225 42.059 -0.108 0.000 0.890 739 L HN 0.453 nan 8.230 nan 0.000 0.435 740 G N -1.095 107.683 108.800 -0.037 0.000 2.442 740 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 740 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 740 G C 1.746 176.656 174.900 0.016 0.000 1.141 740 G CA 0.934 46.028 45.100 -0.011 0.000 0.763 740 G HN 0.407 nan 8.290 nan 0.000 0.554 741 I N -0.097 120.495 120.570 0.037 0.000 2.193 741 I HA -0.119 4.052 4.170 0.001 0.000 0.240 741 I C 2.886 179.069 176.117 0.110 0.000 1.084 741 I CA 0.675 62.025 61.300 0.084 0.000 1.365 741 I CB -0.216 37.863 38.000 0.132 0.000 1.064 741 I HN 0.097 nan 8.210 nan 0.000 0.410 742 M N 0.244 119.920 119.600 0.126 0.000 2.073 742 M HA -0.265 4.215 4.480 0.001 0.000 0.258 742 M C 2.347 178.691 176.300 0.072 0.000 1.070 742 M CA 1.874 57.255 55.300 0.135 0.000 1.103 742 M CB -1.188 31.471 32.600 0.099 0.000 1.321 742 M HN 0.245 nan 8.290 nan 0.000 0.405 743 Q N -0.514 119.311 119.800 0.041 0.000 2.045 743 Q HA -0.247 4.094 4.340 0.001 0.000 0.206 743 Q C 2.070 178.082 176.000 0.021 0.000 0.991 743 Q CA 2.018 57.836 55.803 0.024 0.000 0.851 743 Q CB -0.693 28.050 28.738 0.010 0.000 0.911 743 Q HN 0.611 nan 8.270 nan 0.000 0.418 744 M N -0.146 119.465 119.600 0.018 0.000 2.082 744 M HA -0.206 4.274 4.480 0.001 0.000 0.258 744 M C 2.093 178.391 176.300 -0.004 0.000 1.071 744 M CA 1.773 57.076 55.300 0.006 0.000 1.103 744 M CB -0.252 32.350 32.600 0.004 0.000 1.307 744 M HN 0.065 nan 8.290 nan 0.000 0.409 745 V N 1.096 121.003 119.914 -0.012 0.000 2.278 745 V HA -0.332 3.788 4.120 0.001 0.000 0.251 745 V C 2.163 178.262 176.094 0.009 0.000 1.062 745 V CA 2.519 64.794 62.300 -0.043 0.000 1.038 745 V CB -1.021 30.733 31.823 -0.115 0.000 0.646 745 V HN 0.572 nan 8.190 nan 0.000 0.447 746 E N -0.277 119.944 120.200 0.035 0.000 2.031 746 E HA -0.235 4.116 4.350 0.001 0.000 0.193 746 E C 2.045 178.665 176.600 0.034 0.000 0.994 746 E CA 1.514 57.943 56.400 0.049 0.000 0.800 746 E CB -0.286 29.444 29.700 0.050 0.000 0.752 746 E HN 0.592 nan 8.360 nan 0.000 0.447 747 D N -0.148 120.266 120.400 0.024 0.000 2.116 747 D HA -0.181 4.459 4.640 0.001 0.000 0.193 747 D C 2.070 178.387 176.300 0.027 0.000 0.998 747 D CA 1.838 55.849 54.000 0.019 0.000 0.836 747 D CB -0.675 40.133 40.800 0.014 0.000 0.951 747 D HN 0.169 nan 8.370 nan 0.000 0.449 748 T N -0.780 113.790 114.554 0.027 0.000 2.951 748 T HA -0.029 4.321 4.350 0.001 0.000 0.268 748 T C 2.072 176.805 174.700 0.056 0.000 1.073 748 T CA 0.480 62.611 62.100 0.052 0.000 1.134 748 T CB -0.195 68.658 68.868 -0.024 0.000 0.884 748 T HN 0.055 nan 8.240 nan 0.000 0.479 749 L N 0.020 121.256 121.223 0.022 0.000 2.023 749 L HA 0.134 4.474 4.340 0.001 0.000 0.205 749 L C 2.633 179.504 176.870 0.002 0.000 1.073 749 L CA 1.174 56.024 54.840 0.016 0.000 0.745 749 L CB -0.360 41.721 42.059 0.038 0.000 0.900 749 L HN 0.271 nan 8.230 nan 0.000 0.435 750 I N -0.326 120.246 120.570 0.003 0.000 2.194 750 I HA -0.338 3.833 4.170 0.001 0.000 0.246 750 I C 2.609 178.650 176.117 -0.126 0.000 1.093 750 I CA 1.504 62.788 61.300 -0.027 0.000 1.355 750 I CB -0.309 37.692 38.000 0.001 0.000 1.046 750 I HN 0.382 nan 8.210 nan 0.000 0.413 751 E N 0.006 120.148 120.200 -0.097 0.000 2.152 751 E HA -0.201 4.150 4.350 0.001 0.000 0.192 751 E C 1.684 178.037 176.600 -0.411 0.000 0.983 751 E CA 1.253 57.527 56.400 -0.210 0.000 0.818 751 E CB 0.154 29.787 29.700 -0.112 0.000 0.758 751 E HN 0.619 nan 8.360 nan 0.000 0.467 752 H N -1.988 116.942 119.070 -0.234 0.000 2.729 752 H HA 0.315 4.871 4.556 0.001 0.000 0.263 752 H C 0.838 176.039 175.328 -0.212 0.000 0.961 752 H CA 0.792 56.717 56.048 -0.204 0.000 1.217 752 H CB 1.131 30.827 29.762 -0.110 0.000 1.447 752 H HN 0.136 nan 8.280 nan 0.000 0.496 753 A N -0.760 121.994 122.820 -0.110 0.000 2.508 753 A HA 0.180 4.501 4.320 0.001 0.000 0.250 753 A C -0.311 177.285 177.584 0.020 0.000 1.208 753 A CA -0.214 51.804 52.037 -0.031 0.000 0.960 753 A CB -0.312 18.682 19.000 -0.011 0.000 1.099 753 A HN 0.528 nan 8.150 nan 0.000 0.542 754 H N 0.150 119.217 119.070 -0.004 0.000 2.776 754 H HA -0.133 4.424 4.556 0.001 0.000 0.300 754 H C -0.010 175.318 175.328 0.000 0.000 1.161 754 H CA 0.805 56.847 56.048 -0.010 0.000 1.147 754 H CB -2.515 27.233 29.762 -0.023 0.000 1.366 754 H HN 0.332 nan 8.280 nan 0.000 0.397 755 T N 1.936 116.529 114.554 0.064 0.000 2.831 755 T HA 0.148 4.498 4.350 0.001 0.000 0.291 755 T C 0.812 175.558 174.700 0.077 0.000 0.981 755 T CA 0.161 62.301 62.100 0.067 0.000 1.174 755 T CB 0.597 69.504 68.868 0.065 0.000 0.929 755 T HN 0.250 nan 8.240 nan 0.000 0.532 756 K N 4.108 124.555 120.400 0.079 0.000 2.281 756 K HA 0.465 4.786 4.320 0.001 0.000 0.242 756 K C -2.709 173.949 176.600 0.097 0.000 0.971 756 K CA -2.356 53.977 56.287 0.078 0.000 0.834 756 K CB 1.269 33.807 32.500 0.063 0.000 1.181 756 K HN 0.226 nan 8.250 nan 0.000 0.435 757 P HA 0.038 nan 4.420 nan 0.000 0.268 757 P C -0.434 176.936 177.300 0.116 0.000 1.208 757 P CA 0.013 63.188 63.100 0.124 0.000 0.777 757 P CB 0.467 32.227 31.700 0.101 0.000 0.875 758 L N 1.801 123.108 121.223 0.141 0.000 2.456 758 L HA 0.221 4.561 4.340 0.001 0.000 0.257 758 L C 0.378 177.280 176.870 0.053 0.000 1.162 758 L CA -0.942 53.965 54.840 0.112 0.000 0.808 758 L CB 0.217 42.363 42.059 0.144 0.000 1.136 758 L HN 0.173 nan 8.230 nan 0.000 0.466 759 L N 2.865 124.111 121.223 0.039 0.000 2.397 759 L HA 0.196 4.536 4.340 0.001 0.000 0.271 759 L C -1.372 175.476 176.870 -0.037 0.000 1.148 759 L CA -1.489 53.355 54.840 0.006 0.000 0.825 759 L CB 0.131 42.201 42.059 0.018 0.000 1.117 759 L HN 0.315 nan 8.230 nan 0.000 0.456 760 P HA -0.162 nan 4.420 nan 0.000 0.216 760 P C 1.381 178.626 177.300 -0.091 0.000 1.150 760 P CA 1.425 64.462 63.100 -0.105 0.000 0.843 760 P CB 0.222 31.871 31.700 -0.085 0.000 0.787 761 S N -1.712 113.957 115.700 -0.052 0.000 2.555 761 S HA -0.078 4.393 4.470 0.001 0.000 0.230 761 S C 1.855 176.438 174.600 -0.029 0.000 0.978 761 S CA 0.538 58.715 58.200 -0.039 0.000 0.934 761 S CB -0.804 62.385 63.200 -0.019 0.000 0.766 761 S HN 0.210 nan 8.310 nan 0.000 0.533 762 Q N 0.162 119.948 119.800 -0.023 0.000 2.354 762 Q HA 0.307 4.648 4.340 0.001 0.000 0.203 762 Q C 0.421 176.407 176.000 -0.023 0.000 0.933 762 Q CA 0.267 56.074 55.803 0.007 0.000 0.901 762 Q CB -0.043 28.726 28.738 0.052 0.000 1.007 762 Q HN 0.559 nan 8.270 nan 0.000 0.495 763 L N 2.669 123.834 121.223 -0.097 0.000 2.650 763 L HA 0.090 4.431 4.340 0.001 0.000 0.239 763 L C -0.053 176.690 176.870 -0.212 0.000 1.412 763 L CA -0.519 54.202 54.840 -0.199 0.000 1.219 763 L CB -0.495 41.364 42.059 -0.334 0.000 1.534 763 L HN -0.012 nan 8.230 nan 0.000 0.430 764 V N -1.686 118.146 119.914 -0.136 0.000 2.498 764 V HA 0.461 4.581 4.120 0.001 0.000 0.279 764 V C 0.277 176.255 176.094 -0.194 0.000 1.048 764 V CA -0.841 61.373 62.300 -0.143 0.000 0.967 764 V CB 1.505 33.271 31.823 -0.094 0.000 0.988 764 V HN 0.391 nan 8.190 nan 0.000 0.473 765 R N 2.968 123.364 120.500 -0.173 0.000 2.596 765 R HA 0.597 4.937 4.340 0.001 0.000 0.267 765 R C -0.998 175.275 176.300 -0.044 0.000 1.026 765 R CA -0.609 55.457 56.100 -0.055 0.000 1.087 765 R CB 0.881 31.122 30.300 -0.098 0.000 1.132 765 R HN 0.778 nan 8.270 nan 0.000 0.531 766 Y N 1.210 121.650 120.300 0.234 0.000 2.335 766 Y HA 0.414 4.965 4.550 0.001 0.000 0.323 766 Y C 0.669 176.599 175.900 0.049 0.000 1.224 766 Y CA -0.357 57.793 58.100 0.083 0.000 1.241 766 Y CB 0.829 39.284 38.460 -0.008 0.000 1.235 766 Y HN 0.363 nan 8.280 nan 0.000 0.492 767 R N 0.816 121.453 120.500 0.228 0.000 2.758 767 R HA 0.522 4.862 4.340 0.001 0.000 0.265 767 R C -1.065 175.306 176.300 0.118 0.000 1.016 767 R CA -1.043 55.145 56.100 0.147 0.000 1.040 767 R CB 1.368 31.749 30.300 0.134 0.000 1.152 767 R HN 0.706 nan 8.270 nan 0.000 0.503 768 E N 1.011 121.294 120.200 0.139 0.000 2.266 768 E HA 0.186 4.537 4.350 0.001 0.000 0.277 768 E C -0.543 176.199 176.600 0.237 0.000 1.018 768 E CA -0.796 55.694 56.400 0.149 0.000 0.840 768 E CB 1.522 31.279 29.700 0.095 0.000 1.082 768 E HN 0.361 nan 8.360 nan 0.000 0.395 769 V N 4.105 124.099 119.914 0.134 0.000 2.720 769 V HA -0.126 3.994 4.120 0.001 0.000 0.307 769 V C 0.335 176.518 176.094 0.150 0.000 1.071 769 V CA 0.766 63.095 62.300 0.049 0.000 1.199 769 V CB 0.782 32.584 31.823 -0.035 0.000 0.900 769 V HN 0.741 nan 8.190 nan 0.000 0.494 770 Q N 4.535 124.287 119.800 -0.080 0.000 2.430 770 Q HA 0.339 4.679 4.340 0.001 0.000 0.245 770 Q C -0.948 174.908 176.000 -0.239 0.000 1.021 770 Q CA -0.904 54.723 55.803 -0.294 0.000 0.867 770 Q CB 0.827 29.076 28.738 -0.816 0.000 1.210 770 Q HN 0.560 nan 8.270 nan 0.000 0.487 771 L N 6.232 127.384 121.223 -0.119 0.000 2.461 771 L HA 0.341 4.682 4.340 0.001 0.000 0.272 771 L C -1.980 174.821 176.870 -0.114 0.000 1.197 771 L CA -1.741 53.068 54.840 -0.052 0.000 0.836 771 L CB -0.018 42.114 42.059 0.122 0.000 1.105 771 L HN 0.638 nan 8.230 nan 0.000 0.477 772 P HA 0.145 nan 4.420 nan 0.000 0.286 772 P C -1.047 176.456 177.300 0.338 0.000 1.261 772 P CA -0.774 62.414 63.100 0.146 0.000 0.821 772 P CB 0.705 32.506 31.700 0.168 0.000 1.013 773 D N 3.009 123.593 120.400 0.307 0.000 2.586 773 D HA -0.065 4.576 4.640 0.001 0.000 0.234 773 D C 1.125 177.504 176.300 0.131 0.000 1.132 773 D CA 0.758 54.901 54.000 0.238 0.000 0.860 773 D CB -0.099 40.776 40.800 0.125 0.000 1.159 773 D HN 0.433 nan 8.370 nan 0.000 0.490 774 R N -0.074 120.468 120.500 0.070 0.000 3.840 774 R HA -0.133 4.208 4.340 0.001 0.000 0.464 774 R C 0.797 177.148 176.300 0.085 0.000 0.986 774 R CA 0.980 57.105 56.100 0.040 0.000 1.305 774 R CB -1.809 28.499 30.300 0.013 0.000 1.950 774 R HN 0.531 nan 8.270 nan 0.000 0.526 775 G N 0.125 109.021 108.800 0.159 0.000 2.415 775 G HA2 0.280 4.241 3.960 0.001 0.000 0.269 775 G HA3 0.280 4.241 3.960 0.001 0.000 0.269 775 G C -1.163 173.842 174.900 0.175 0.000 1.209 775 G CA -0.058 45.105 45.100 0.105 0.000 0.835 775 G HN 0.212 nan 8.290 nan 0.000 0.534 776 W N 3.317 124.444 121.300 -0.288 0.000 2.715 776 W HA 0.710 5.371 4.660 0.001 0.000 0.331 776 W C -2.042 174.252 176.519 -0.375 0.000 1.031 776 W CA -2.436 54.813 57.345 -0.160 0.000 1.237 776 W CB 1.014 30.433 29.460 -0.068 0.000 1.378 776 W HN 0.333 nan 8.180 nan 0.000 0.454 777 F N 5.181 125.162 119.950 0.051 0.000 2.508 777 F HA 0.698 5.226 4.527 0.001 0.000 0.325 777 F C -0.178 175.417 175.800 -0.341 0.000 1.090 777 F CA -1.321 56.578 58.000 -0.167 0.000 0.945 777 F CB 1.918 40.929 39.000 0.018 0.000 1.156 777 F HN -0.137 nan 8.300 nan 0.000 0.463 778 V N 2.888 122.636 119.914 -0.278 0.000 2.483 778 V HA 0.284 4.404 4.120 0.001 0.000 0.297 778 V C -1.385 174.588 176.094 -0.201 0.000 1.027 778 V CA -0.962 61.132 62.300 -0.344 0.000 0.855 778 V CB 1.692 33.137 31.823 -0.631 0.000 0.995 778 V HN 0.631 nan 8.190 nan 0.000 0.424 779 Y N 4.285 124.423 120.300 -0.270 0.000 2.360 779 Y HA 0.660 5.211 4.550 0.001 0.000 0.337 779 Y C -0.082 175.689 175.900 -0.214 0.000 1.039 779 Y CA -0.253 57.696 58.100 -0.252 0.000 1.109 779 Y CB 1.629 39.931 38.460 -0.264 0.000 1.201 779 Y HN 0.684 nan 8.280 nan 0.000 0.458 780 Q N 4.748 124.085 119.800 -0.772 0.000 2.347 780 Q HA 0.537 4.878 4.340 0.001 0.000 0.271 780 Q C -1.876 173.747 176.000 -0.629 0.000 1.064 780 Q CA -0.813 54.695 55.803 -0.491 0.000 0.800 780 Q CB 2.031 30.594 28.738 -0.291 0.000 1.304 780 Q HN 0.783 nan 8.270 nan 0.000 0.438 781 Q N 1.439 121.040 119.800 -0.332 0.000 2.534 781 Q HA 0.468 4.809 4.340 0.001 0.000 0.290 781 Q C -2.051 173.949 176.000 -0.001 0.000 0.991 781 Q CA -0.748 54.910 55.803 -0.242 0.000 0.783 781 Q CB 1.797 30.306 28.738 -0.381 0.000 1.470 781 Q HN 0.731 nan 8.270 nan 0.000 0.406 782 R N 1.267 121.803 120.500 0.060 0.000 2.711 782 R HA 0.617 4.958 4.340 0.001 0.000 0.284 782 R C -0.918 175.497 176.300 0.192 0.000 0.968 782 R CA -0.805 55.364 56.100 0.114 0.000 0.924 782 R CB 1.282 31.623 30.300 0.068 0.000 1.162 782 R HN 0.552 nan 8.270 nan 0.000 0.465 783 N N 1.854 120.659 118.700 0.175 0.000 2.422 783 N HA 0.018 4.759 4.740 0.001 0.000 0.264 783 N C -0.385 175.197 175.510 0.120 0.000 1.063 783 N CA -0.053 53.092 53.050 0.159 0.000 0.959 783 N CB 1.386 39.886 38.487 0.021 0.000 1.087 783 N HN 0.765 nan 8.380 nan 0.000 0.483 784 E N 2.037 122.315 120.200 0.130 0.000 2.489 784 E HA 0.026 4.377 4.350 0.001 0.000 0.193 784 E C 0.724 177.355 176.600 0.053 0.000 1.057 784 E CA 0.220 56.672 56.400 0.085 0.000 0.866 784 E CB 0.774 30.524 29.700 0.084 0.000 0.916 784 E HN 0.410 nan 8.360 nan 0.000 0.500 785 V N -0.450 119.500 119.914 0.060 0.000 3.058 785 V HA 0.036 4.156 4.120 0.001 0.000 0.233 785 V C 0.135 176.155 176.094 -0.124 0.000 1.255 785 V CA 0.304 62.586 62.300 -0.030 0.000 1.267 785 V CB 0.179 31.977 31.823 -0.042 0.000 1.049 785 V HN 0.133 nan 8.190 nan 0.000 0.486 786 H N 1.201 120.241 119.070 -0.051 0.000 2.527 786 H HA 0.354 4.911 4.556 0.001 0.000 0.321 786 H C 0.360 175.670 175.328 -0.031 0.000 1.087 786 H CA -0.251 55.767 56.048 -0.050 0.000 1.337 786 H CB 0.305 30.022 29.762 -0.074 0.000 1.440 786 H HN 0.036 nan 8.280 nan 0.000 0.490 787 N N 3.458 122.192 118.700 0.055 0.000 3.331 787 N HA 0.030 4.771 4.740 0.001 0.000 0.303 787 N C -0.989 174.548 175.510 0.045 0.000 1.326 787 N CA 0.035 53.108 53.050 0.038 0.000 1.207 787 N CB -0.496 37.995 38.487 0.007 0.000 1.477 787 N HN 0.562 nan 8.380 nan 0.000 0.541 788 N N -0.685 118.054 118.700 0.065 0.000 2.484 788 N HA 0.227 4.967 4.740 0.001 0.000 0.269 788 N C -1.318 174.222 175.510 0.051 0.000 1.237 788 N CA -0.429 52.653 53.050 0.053 0.000 0.838 788 N CB 1.782 40.304 38.487 0.058 0.000 1.593 788 N HN 0.205 nan 8.380 nan 0.000 0.485 789 S N -0.538 115.190 115.700 0.047 0.000 2.621 789 S HA 0.929 5.400 4.470 0.001 0.000 0.302 789 S C 0.153 174.791 174.600 0.062 0.000 1.093 789 S CA -0.631 57.602 58.200 0.054 0.000 1.017 789 S CB 1.749 64.978 63.200 0.049 0.000 1.077 789 S HN 0.558 nan 8.310 nan 0.000 0.517 790 G N 0.001 108.853 108.800 0.087 0.000 2.600 790 G HA2 0.776 4.737 3.960 0.001 0.000 0.303 790 G HA3 0.776 4.737 3.960 0.001 0.000 0.303 790 G C -1.564 173.419 174.900 0.138 0.000 1.253 790 G CA -0.995 44.178 45.100 0.121 0.000 0.974 790 G HN 0.947 nan 8.290 nan 0.000 0.483 791 I N -0.578 120.089 120.570 0.163 0.000 2.743 791 I HA 0.369 4.540 4.170 0.001 0.000 0.292 791 I C -1.406 174.851 176.117 0.233 0.000 1.343 791 I CA -0.619 60.792 61.300 0.185 0.000 1.038 791 I CB 2.381 40.431 38.000 0.083 0.000 1.311 791 I HN 0.418 nan 8.210 nan 0.000 0.426 792 E N 6.967 127.332 120.200 0.274 0.000 2.199 792 E HA 0.579 4.929 4.350 0.001 0.000 0.269 792 E C -1.363 175.419 176.600 0.303 0.000 0.899 792 E CA -0.761 55.806 56.400 0.278 0.000 0.772 792 E CB 2.782 32.624 29.700 0.237 0.000 1.155 792 E HN 0.423 nan 8.360 nan 0.000 0.408 793 I N 3.276 124.040 120.570 0.324 0.000 2.418 793 I HA 0.222 4.392 4.170 0.001 0.000 0.287 793 I C -1.218 175.065 176.117 0.277 0.000 1.008 793 I CA -0.906 60.549 61.300 0.258 0.000 1.104 793 I CB 1.196 39.334 38.000 0.231 0.000 1.264 793 I HN 0.424 nan 8.210 nan 0.000 0.438 794 Y N 7.328 127.619 120.300 -0.015 0.000 2.331 794 Y HA 0.458 5.008 4.550 0.001 0.000 0.334 794 Y C -1.504 174.326 175.900 -0.116 0.000 0.960 794 Y CA -1.504 56.617 58.100 0.035 0.000 1.130 794 Y CB 0.997 39.525 38.460 0.113 0.000 1.164 794 Y HN 0.334 nan 8.280 nan 0.000 0.458 795 Y N 5.005 125.319 120.300 0.024 0.000 2.717 795 Y HA 0.284 4.834 4.550 0.001 0.000 0.329 795 Y C 0.383 176.053 175.900 -0.384 0.000 1.017 795 Y CA -0.665 57.360 58.100 -0.124 0.000 1.275 795 Y CB 0.773 39.243 38.460 0.017 0.000 1.109 795 Y HN 0.543 nan 8.280 nan 0.000 0.511 796 Q N 1.894 121.373 119.800 -0.535 0.000 2.311 796 Q HA 0.087 4.428 4.340 0.001 0.000 0.272 796 Q C 0.636 176.699 176.000 0.105 0.000 1.012 796 Q CA 0.593 56.158 55.803 -0.397 0.000 0.891 796 Q CB 1.049 29.645 28.738 -0.236 0.000 1.201 796 Q HN 0.869 nan 8.270 nan 0.000 0.391 797 T N 0.965 115.602 114.554 0.138 0.000 3.480 797 T HA 0.264 4.614 4.350 0.001 0.000 0.229 797 T C 0.094 174.947 174.700 0.255 0.000 0.944 797 T CA 0.227 62.454 62.100 0.212 0.000 1.388 797 T CB 0.297 69.316 68.868 0.251 0.000 1.180 797 T HN 0.617 nan 8.240 nan 0.000 0.414 798 D N -1.013 119.487 120.400 0.167 0.000 2.713 798 D HA 0.301 4.941 4.640 0.001 0.000 0.306 798 D C -1.318 174.958 176.300 -0.039 0.000 1.299 798 D CA -0.766 53.314 54.000 0.133 0.000 0.823 798 D CB 2.019 42.936 40.800 0.195 0.000 1.353 798 D HN 0.357 nan 8.370 nan 0.000 0.447 799 M N 1.164 120.739 119.600 -0.043 0.000 2.250 799 M HA 0.013 4.494 4.480 0.001 0.000 0.337 799 M C 0.088 176.371 176.300 -0.029 0.000 1.161 799 M CA 0.520 55.768 55.300 -0.086 0.000 1.088 799 M CB 0.371 32.982 32.600 0.019 0.000 1.639 799 M HN 0.131 nan 8.290 nan 0.000 0.447 800 Q N 2.430 122.197 119.800 -0.054 0.000 2.330 800 Q HA 0.236 4.576 4.340 0.001 0.000 0.279 800 Q C -0.751 175.227 176.000 -0.037 0.000 1.024 800 Q CA 0.288 56.067 55.803 -0.040 0.000 0.900 800 Q CB 0.579 29.282 28.738 -0.060 0.000 1.221 800 Q HN 0.719 nan 8.270 nan 0.000 0.396 801 S N 0.011 115.684 115.700 -0.045 0.000 2.558 801 S HA 0.187 4.658 4.470 0.001 0.000 0.277 801 S C 0.441 174.966 174.600 -0.126 0.000 1.143 801 S CA -0.691 57.470 58.200 -0.066 0.000 0.865 801 S CB 1.260 64.437 63.200 -0.038 0.000 1.102 801 S HN 0.527 nan 8.310 nan 0.000 0.454 802 T N 2.551 116.994 114.554 -0.185 0.000 2.624 802 T HA -0.243 4.108 4.350 0.001 0.000 0.266 802 T C 2.211 176.639 174.700 -0.453 0.000 1.050 802 T CA 2.930 64.848 62.100 -0.304 0.000 1.163 802 T CB -0.933 67.717 68.868 -0.363 0.000 0.861 802 T HN 1.076 nan 8.240 nan 0.000 0.443 803 S N 1.271 116.643 115.700 -0.546 0.000 2.345 803 S HA -0.098 4.373 4.470 0.001 0.000 0.220 803 S C 1.967 176.442 174.600 -0.208 0.000 1.031 803 S CA 0.925 58.803 58.200 -0.537 0.000 0.996 803 S CB -0.377 62.639 63.200 -0.307 0.000 0.882 803 S HN 0.395 nan 8.310 nan 0.000 0.445 804 E N 1.931 122.140 120.200 0.016 0.000 2.118 804 E HA -0.113 4.237 4.350 0.001 0.000 0.195 804 E C 1.894 178.514 176.600 0.033 0.000 0.992 804 E CA 1.180 57.669 56.400 0.147 0.000 0.804 804 E CB -0.593 29.192 29.700 0.142 0.000 0.741 804 E HN 0.621 nan 8.360 nan 0.000 0.458 805 N N 0.128 118.804 118.700 -0.039 0.000 2.084 805 N HA -0.118 4.623 4.740 0.001 0.000 0.190 805 N C 1.666 177.140 175.510 -0.059 0.000 1.030 805 N CA 1.221 54.246 53.050 -0.042 0.000 0.849 805 N CB -0.130 38.318 38.487 -0.064 0.000 1.012 805 N HN 0.098 nan 8.380 nan 0.000 0.423 806 M N -0.560 118.977 119.600 -0.105 0.000 2.288 806 M HA 0.077 4.557 4.480 0.001 0.000 0.266 806 M C 1.281 177.497 176.300 -0.139 0.000 1.072 806 M CA 0.778 56.018 55.300 -0.099 0.000 1.132 806 M CB -1.001 31.583 32.600 -0.028 0.000 1.386 806 M HN 0.027 nan 8.290 nan 0.000 0.432 807 F N 0.877 120.713 119.950 -0.191 0.000 2.026 807 F HA -0.249 4.278 4.527 0.001 0.000 0.296 807 F C 2.404 177.834 175.800 -0.617 0.000 1.133 807 F CA 1.435 59.117 58.000 -0.529 0.000 1.188 807 F CB -1.542 36.869 39.000 -0.981 0.000 0.968 807 F HN 0.075 nan 8.300 nan 0.000 0.476 808 L N 0.837 121.859 121.223 -0.336 0.000 1.989 808 L HA -0.228 4.112 4.340 0.001 0.000 0.211 808 L C 2.359 179.291 176.870 0.104 0.000 1.071 808 L CA 2.290 57.111 54.840 -0.031 0.000 0.749 808 L CB -1.067 41.059 42.059 0.110 0.000 0.890 808 L HN 0.423 nan 8.230 nan 0.000 0.431 809 E N -1.031 119.192 120.200 0.038 0.000 2.358 809 E HA -0.178 4.172 4.350 0.001 0.000 0.195 809 E C 2.241 178.851 176.600 0.017 0.000 1.010 809 E CA 0.785 57.207 56.400 0.036 0.000 0.856 809 E CB -0.498 29.207 29.700 0.009 0.000 0.795 809 E HN 0.623 nan 8.360 nan 0.000 0.504 810 L N 0.161 121.398 121.223 0.024 0.000 2.095 810 L HA -0.041 4.299 4.340 0.001 0.000 0.204 810 L C 2.290 179.192 176.870 0.053 0.000 1.080 810 L CA 0.909 55.753 54.840 0.006 0.000 0.759 810 L CB -0.196 41.873 42.059 0.015 0.000 0.914 810 L HN 0.140 nan 8.230 nan 0.000 0.439 811 F N 0.879 120.846 119.950 0.029 0.000 2.095 811 F HA -0.253 4.274 4.527 0.001 0.000 0.298 811 F C 2.405 178.221 175.800 0.026 0.000 1.104 811 F CA 1.604 59.657 58.000 0.088 0.000 1.232 811 F CB -0.399 38.759 39.000 0.264 0.000 0.987 811 F HN 0.102 nan 8.300 nan 0.000 0.475 812 A N -0.076 122.814 122.820 0.117 0.000 1.917 812 A HA -0.312 4.009 4.320 0.001 0.000 0.219 812 A C 2.092 179.575 177.584 -0.167 0.000 1.182 812 A CA 2.017 54.033 52.037 -0.035 0.000 0.633 812 A CB -1.114 17.903 19.000 0.028 0.000 0.819 812 A HN 0.571 nan 8.150 nan 0.000 0.448 813 Q N 0.307 120.014 119.800 -0.155 0.000 2.030 813 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 813 Q C 1.747 177.522 176.000 -0.374 0.000 0.986 813 Q CA 2.249 57.929 55.803 -0.205 0.000 0.843 813 Q CB -0.591 28.049 28.738 -0.162 0.000 0.904 813 Q HN 0.658 nan 8.270 nan 0.000 0.420 814 I N 0.551 120.808 120.570 -0.522 0.000 2.151 814 I HA -0.265 3.906 4.170 0.001 0.000 0.243 814 I C 2.250 178.079 176.117 -0.480 0.000 1.080 814 I CA 1.691 62.529 61.300 -0.770 0.000 1.339 814 I CB -0.489 37.191 38.000 -0.533 0.000 1.039 814 I HN 0.454 nan 8.210 nan 0.000 0.409 815 I N -2.848 117.469 120.570 -0.421 0.000 3.419 815 I HA -0.025 4.146 4.170 0.001 0.000 0.286 815 I C 2.407 178.504 176.117 -0.033 0.000 1.268 815 I CA 0.645 61.822 61.300 -0.205 0.000 1.414 815 I CB -0.106 37.728 38.000 -0.277 0.000 1.074 815 I HN 0.043 nan 8.210 nan 0.000 0.457 816 S N 1.589 117.208 115.700 -0.134 0.000 2.365 816 S HA -0.287 4.183 4.470 0.001 0.000 0.221 816 S C 2.167 176.739 174.600 -0.046 0.000 1.037 816 S CA 2.135 60.262 58.200 -0.121 0.000 1.060 816 S CB -0.495 62.611 63.200 -0.157 0.000 0.974 816 S HN 0.668 nan 8.310 nan 0.000 0.427 817 E N 1.150 121.336 120.200 -0.023 0.000 2.031 817 E HA -0.059 4.291 4.350 0.001 0.000 0.193 817 E C -0.503 176.163 176.600 0.110 0.000 0.994 817 E CA 1.640 58.060 56.400 0.033 0.000 0.800 817 E CB -1.440 28.278 29.700 0.031 0.000 0.752 817 E HN 0.397 nan 8.360 nan 0.000 0.447 818 P HA -0.134 nan 4.420 nan 0.000 0.216 818 P C 1.152 178.555 177.300 0.171 0.000 1.150 818 P CA 2.231 65.463 63.100 0.220 0.000 0.843 818 P CB -0.269 31.600 31.700 0.281 0.000 0.787 819 A N -1.408 121.424 122.820 0.020 0.000 1.902 819 A HA -0.208 4.112 4.320 0.001 0.000 0.217 819 A C 2.133 179.560 177.584 -0.262 0.000 1.181 819 A CA 1.489 53.225 52.037 -0.502 0.000 0.623 819 A CB -1.769 17.096 19.000 -0.225 0.000 0.818 819 A HN 0.190 nan 8.150 nan 0.000 0.443 820 F N 0.678 120.519 119.950 -0.182 0.000 2.187 820 F HA -0.079 4.449 4.527 0.001 0.000 0.295 820 F C 2.018 177.761 175.800 -0.095 0.000 1.091 820 F CA 1.704 59.625 58.000 -0.132 0.000 1.308 820 F CB -0.184 38.753 39.000 -0.105 0.000 1.030 820 F HN 0.299 nan 8.300 nan 0.000 0.487 821 N N -0.438 118.342 118.700 0.135 0.000 2.106 821 N HA -0.150 4.590 4.740 0.001 0.000 0.188 821 N C 1.658 177.151 175.510 -0.029 0.000 1.029 821 N CA 2.214 55.312 53.050 0.080 0.000 0.848 821 N CB -0.436 38.133 38.487 0.137 0.000 1.007 821 N HN 0.255 nan 8.380 nan 0.000 0.423 822 T N 0.457 114.990 114.554 -0.035 0.000 2.639 822 T HA -0.017 4.334 4.350 0.001 0.000 0.261 822 T C 1.921 176.547 174.700 -0.123 0.000 1.053 822 T CA 1.097 63.178 62.100 -0.030 0.000 1.158 822 T CB -0.401 68.518 68.868 0.084 0.000 0.863 822 T HN 0.124 nan 8.240 nan 0.000 0.413 823 L N 0.011 121.090 121.223 -0.239 0.000 2.179 823 L HA 0.117 4.457 4.340 0.001 0.000 0.208 823 L C 2.703 179.431 176.870 -0.237 0.000 1.096 823 L CA 0.999 55.698 54.840 -0.234 0.000 0.779 823 L CB -0.288 41.604 42.059 -0.279 0.000 0.922 823 L HN 0.136 nan 8.230 nan 0.000 0.443 824 R N -0.623 119.660 120.500 -0.361 0.000 2.038 824 R HA -0.012 4.328 4.340 0.001 0.000 0.214 824 R C 2.273 178.402 176.300 -0.286 0.000 1.249 824 R CA 1.210 57.060 56.100 -0.417 0.000 1.025 824 R CB -0.340 29.473 30.300 -0.811 0.000 0.911 824 R HN -0.005 nan 8.270 nan 0.000 0.456 825 T N 1.490 115.863 114.554 -0.303 0.000 2.684 825 T HA -0.126 4.225 4.350 0.001 0.000 0.267 825 T C 1.655 176.328 174.700 -0.045 0.000 1.036 825 T CA 1.737 63.768 62.100 -0.114 0.000 1.148 825 T CB -0.096 68.760 68.868 -0.020 0.000 0.863 825 T HN 0.259 nan 8.240 nan 0.000 0.436 826 K N 0.642 121.017 120.400 -0.042 0.000 2.005 826 K HA 0.032 4.353 4.320 0.001 0.000 0.206 826 K C 2.410 179.004 176.600 -0.011 0.000 1.044 826 K CA 1.092 57.374 56.287 -0.009 0.000 0.942 826 K CB -0.001 32.504 32.500 0.007 0.000 0.727 826 K HN 0.339 nan 8.250 nan 0.000 0.439 827 E N 0.610 120.790 120.200 -0.032 0.000 2.442 827 E HA -0.030 4.321 4.350 0.001 0.000 0.195 827 E C -0.418 176.175 176.600 -0.011 0.000 1.030 827 E CA -0.014 56.378 56.400 -0.014 0.000 0.869 827 E CB 0.464 30.148 29.700 -0.028 0.000 0.857 827 E HN 0.144 nan 8.360 nan 0.000 0.505 828 Q N -0.071 119.705 119.800 -0.040 0.000 2.439 828 Q HA -0.225 4.115 4.340 0.001 0.000 0.325 828 Q C 0.849 176.844 176.000 -0.008 0.000 1.372 828 Q CA 0.517 56.305 55.803 -0.025 0.000 0.909 828 Q CB -1.909 26.836 28.738 0.012 0.000 1.167 828 Q HN 0.454 nan 8.270 nan 0.000 0.418 829 L N -1.742 119.459 121.223 -0.036 0.000 2.156 829 L HA 0.029 4.369 4.340 0.001 0.000 0.208 829 L C 1.328 178.199 176.870 0.002 0.000 1.095 829 L CA 1.319 56.153 54.840 -0.011 0.000 0.770 829 L CB 0.091 42.121 42.059 -0.049 0.000 0.914 829 L HN 0.501 nan 8.230 nan 0.000 0.439 830 G N -3.512 105.279 108.800 -0.015 0.000 2.368 830 G HA2 0.076 4.037 3.960 0.001 0.000 0.293 830 G HA3 0.076 4.037 3.960 0.001 0.000 0.293 830 G C -0.857 174.063 174.900 0.033 0.000 1.467 830 G CA -0.469 44.648 45.100 0.029 0.000 0.804 830 G HN -0.182 nan 8.290 nan 0.000 0.535 831 Y N 0.484 120.768 120.300 -0.025 0.000 2.181 831 Y HA 0.245 4.795 4.550 0.001 0.000 0.288 831 Y C 1.294 177.189 175.900 -0.009 0.000 1.146 831 Y CA 1.238 59.336 58.100 -0.003 0.000 1.164 831 Y CB 0.043 38.521 38.460 0.030 0.000 0.982 831 Y HN 0.304 nan 8.280 nan 0.000 0.515 832 I N 1.798 122.340 120.570 -0.047 0.000 2.297 832 I HA 0.284 4.454 4.170 0.001 0.000 0.291 832 I C -1.154 174.926 176.117 -0.062 0.000 1.033 832 I CA -0.510 60.715 61.300 -0.124 0.000 1.253 832 I CB 1.013 38.911 38.000 -0.170 0.000 1.396 832 I HN -0.278 nan 8.210 nan 0.000 0.476 833 V N 7.604 127.505 119.914 -0.022 0.000 2.612 833 V HA 0.444 4.564 4.120 0.001 0.000 0.301 833 V C -1.004 175.209 176.094 0.197 0.000 1.059 833 V CA -0.667 61.657 62.300 0.040 0.000 0.886 833 V CB 2.164 33.916 31.823 -0.117 0.000 1.007 833 V HN 0.512 nan 8.190 nan 0.000 0.426 834 F N 4.095 124.083 119.950 0.063 0.000 2.588 834 F HA 0.868 5.395 4.527 0.001 0.000 0.310 834 F C -0.152 175.667 175.800 0.032 0.000 1.082 834 F CA 0.013 58.046 58.000 0.055 0.000 0.929 834 F CB 2.368 41.391 39.000 0.038 0.000 1.254 834 F HN 0.568 nan 8.300 nan 0.000 0.455 835 S N 2.956 118.161 115.700 -0.824 0.000 2.638 835 S HA 1.024 5.495 4.470 0.001 0.000 0.274 835 S C -0.677 173.350 174.600 -0.955 0.000 1.157 835 S CA -0.252 57.491 58.200 -0.761 0.000 0.826 835 S CB 1.555 64.299 63.200 -0.761 0.000 1.139 835 S HN 1.915 nan 8.310 nan 0.000 0.474 836 G N 0.053 108.567 108.800 -0.477 0.000 2.359 836 G HA2 0.434 4.395 3.960 0.001 0.000 0.293 836 G HA3 0.434 4.395 3.960 0.001 0.000 0.293 836 G C -3.713 171.199 174.900 0.020 0.000 1.300 836 G CA -0.721 44.241 45.100 -0.230 0.000 0.888 836 G HN 0.707 nan 8.290 nan 0.000 0.541 837 P HA 0.392 nan 4.420 nan 0.000 0.269 837 P C -0.425 176.974 177.300 0.166 0.000 1.215 837 P CA -0.042 63.142 63.100 0.139 0.000 0.780 837 P CB 0.634 32.394 31.700 0.100 0.000 0.898 838 R N 2.163 122.773 120.500 0.183 0.000 2.561 838 R HA 0.540 4.881 4.340 0.001 0.000 0.297 838 R C -0.950 175.403 176.300 0.088 0.000 0.969 838 R CA -0.819 55.350 56.100 0.116 0.000 0.879 838 R CB 1.022 31.357 30.300 0.058 0.000 1.178 838 R HN 0.295 nan 8.270 nan 0.000 0.445 839 R N 2.078 122.594 120.500 0.026 0.000 2.435 839 R HA 0.559 4.899 4.340 0.001 0.000 0.308 839 R C -1.561 174.720 176.300 -0.031 0.000 0.975 839 R CA -0.298 55.804 56.100 0.004 0.000 0.867 839 R CB 2.185 32.483 30.300 -0.002 0.000 1.171 839 R HN 0.671 nan 8.270 nan 0.000 0.470 840 A N 2.253 125.049 122.820 -0.039 0.000 2.449 840 A HA 0.460 4.780 4.320 0.001 0.000 0.302 840 A C -0.580 176.979 177.584 -0.041 0.000 1.048 840 A CA -0.998 51.009 52.037 -0.049 0.000 0.708 840 A CB 0.706 19.663 19.000 -0.072 0.000 1.274 840 A HN 0.906 nan 8.150 nan 0.000 0.410 841 N N 0.898 119.585 118.700 -0.022 0.000 2.696 841 N HA -0.230 4.510 4.740 0.001 0.000 0.249 841 N C 0.983 176.472 175.510 -0.035 0.000 1.090 841 N CA 1.856 54.907 53.050 0.001 0.000 0.716 841 N CB -0.877 37.630 38.487 0.035 0.000 1.020 841 N HN 2.226 nan 8.380 nan 0.000 0.548 842 G N -2.295 106.468 108.800 -0.062 0.000 2.199 842 G HA2 -0.297 3.664 3.960 0.001 0.000 0.254 842 G HA3 -0.297 3.664 3.960 0.001 0.000 0.254 842 G C 0.176 175.000 174.900 -0.127 0.000 0.982 842 G CA 0.470 45.519 45.100 -0.085 0.000 0.632 842 G HN 0.373 nan 8.290 nan 0.000 0.529 843 I N 0.812 121.285 120.570 -0.163 0.000 2.924 843 I HA 0.691 4.861 4.170 0.001 0.000 0.316 843 I C 0.547 176.621 176.117 -0.070 0.000 1.014 843 I CA -0.856 60.296 61.300 -0.246 0.000 1.106 843 I CB 1.210 38.919 38.000 -0.486 0.000 1.311 843 I HN 0.626 nan 8.210 nan 0.000 0.502 844 Q N 1.021 120.820 119.800 -0.003 0.000 2.590 844 Q HA 0.814 5.155 4.340 0.001 0.000 0.295 844 Q C -1.029 175.121 176.000 0.250 0.000 0.973 844 Q CA -0.997 54.889 55.803 0.137 0.000 0.768 844 Q CB 2.767 31.560 28.738 0.093 0.000 1.479 844 Q HN 0.855 nan 8.270 nan 0.000 0.419 845 G N -0.104 108.913 108.800 0.362 0.000 2.340 845 G HA2 0.417 4.377 3.960 0.001 0.000 0.299 845 G HA3 0.417 4.377 3.960 0.001 0.000 0.299 845 G C -2.364 172.788 174.900 0.420 0.000 1.291 845 G CA -0.744 44.566 45.100 0.351 0.000 0.841 845 G HN 0.550 nan 8.290 nan 0.000 0.500 846 L N 1.058 122.529 121.223 0.412 0.000 2.295 846 L HA 0.820 5.161 4.340 0.001 0.000 0.285 846 L C 0.641 177.802 176.870 0.485 0.000 1.035 846 L CA -0.757 54.325 54.840 0.403 0.000 0.806 846 L CB 1.163 43.461 42.059 0.398 0.000 1.214 846 L HN 0.753 nan 8.230 nan 0.000 0.426 847 R N 3.450 124.126 120.500 0.293 0.000 2.711 847 R HA 0.593 4.934 4.340 0.001 0.000 0.284 847 R C -1.878 174.452 176.300 0.051 0.000 0.968 847 R CA -0.535 55.746 56.100 0.302 0.000 0.924 847 R CB 1.317 31.793 30.300 0.292 0.000 1.162 847 R HN 0.465 nan 8.270 nan 0.000 0.465 848 F N 2.301 122.449 119.950 0.330 0.000 2.518 848 F HA 0.531 5.058 4.527 0.001 0.000 0.323 848 F C -0.240 175.719 175.800 0.265 0.000 1.129 848 F CA -0.760 57.406 58.000 0.276 0.000 0.920 848 F CB 2.102 41.241 39.000 0.231 0.000 1.160 848 F HN 0.302 nan 8.300 nan 0.000 0.440 849 I N 5.165 126.007 120.570 0.454 0.000 2.433 849 I HA 0.554 4.724 4.170 0.001 0.000 0.292 849 I C -0.805 175.462 176.117 0.250 0.000 1.001 849 I CA -0.557 60.938 61.300 0.325 0.000 1.119 849 I CB 1.916 40.072 38.000 0.261 0.000 1.289 849 I HN 0.438 nan 8.210 nan 0.000 0.438 850 I N 5.288 125.964 120.570 0.178 0.000 2.656 850 I HA 0.339 4.510 4.170 0.001 0.000 0.292 850 I C -0.809 175.357 176.117 0.082 0.000 1.144 850 I CA -0.501 60.858 61.300 0.099 0.000 1.038 850 I CB 2.485 40.521 38.000 0.061 0.000 1.244 850 I HN 0.553 nan 8.210 nan 0.000 0.420 851 Q N 4.262 124.089 119.800 0.044 0.000 2.353 851 Q HA 0.753 5.093 4.340 0.001 0.000 0.268 851 Q C -1.346 174.679 176.000 0.041 0.000 1.045 851 Q CA -0.334 55.501 55.803 0.053 0.000 0.811 851 Q CB 2.267 31.032 28.738 0.045 0.000 1.305 851 Q HN 0.692 nan 8.270 nan 0.000 0.447 852 S N 1.655 117.381 115.700 0.043 0.000 2.588 852 S HA 0.127 4.597 4.470 0.001 0.000 0.269 852 S C -0.160 174.463 174.600 0.038 0.000 1.157 852 S CA -0.511 57.712 58.200 0.039 0.000 0.824 852 S CB 1.691 64.910 63.200 0.032 0.000 1.126 852 S HN 0.883 nan 8.310 nan 0.000 0.464 853 E N 0.916 121.138 120.200 0.037 0.000 2.216 853 E HA 0.055 4.406 4.350 0.001 0.000 0.192 853 E C -0.084 176.532 176.600 0.025 0.000 0.988 853 E CA 0.609 57.026 56.400 0.029 0.000 0.834 853 E CB 0.063 29.778 29.700 0.024 0.000 0.772 853 E HN 0.401 nan 8.360 nan 0.000 0.479 854 K N 1.833 122.256 120.400 0.039 0.000 2.276 854 K HA 0.119 4.440 4.320 0.001 0.000 0.259 854 K C -2.356 174.257 176.600 0.022 0.000 1.001 854 K CA -1.520 54.794 56.287 0.045 0.000 0.927 854 K CB 0.555 33.154 32.500 0.165 0.000 0.969 854 K HN 0.057 nan 8.250 nan 0.000 0.490 855 P HA 0.092 nan 4.420 nan 0.000 0.274 855 P C -2.322 174.915 177.300 -0.105 0.000 1.231 855 P CA -1.496 61.569 63.100 -0.058 0.000 0.790 855 P CB 0.658 32.289 31.700 -0.116 0.000 0.951 856 P HA -0.139 nan 4.420 nan 0.000 0.221 856 P C 1.595 178.756 177.300 -0.232 0.000 1.150 856 P CA 1.370 64.322 63.100 -0.246 0.000 0.800 856 P CB -0.589 30.850 31.700 -0.435 0.000 0.787 857 H N -2.037 117.038 119.070 0.007 0.000 2.421 857 H HA -0.174 4.383 4.556 0.001 0.000 0.298 857 H C 1.827 177.248 175.328 0.155 0.000 1.087 857 H CA 1.114 57.249 56.048 0.145 0.000 1.330 857 H CB -1.161 28.714 29.762 0.188 0.000 1.388 857 H HN 0.140 nan 8.280 nan 0.000 0.526 858 Y N 1.565 121.582 120.300 -0.472 0.000 2.176 858 Y HA -0.068 4.483 4.550 0.001 0.000 0.291 858 Y C 2.455 178.283 175.900 -0.119 0.000 1.122 858 Y CA 0.609 58.551 58.100 -0.264 0.000 1.128 858 Y CB -0.540 37.714 38.460 -0.344 0.000 1.005 858 Y HN 0.073 nan 8.280 nan 0.000 0.509 859 L N 1.040 122.121 121.223 -0.236 0.000 2.051 859 L HA -0.275 4.066 4.340 0.001 0.000 0.214 859 L C 2.478 179.217 176.870 -0.219 0.000 1.076 859 L CA 2.318 57.007 54.840 -0.251 0.000 0.758 859 L CB -1.451 40.529 42.059 -0.131 0.000 0.890 859 L HN 0.375 nan 8.230 nan 0.000 0.433 860 E N -0.637 119.489 120.200 -0.123 0.000 2.085 860 E HA -0.197 4.153 4.350 0.001 0.000 0.194 860 E C 2.285 178.843 176.600 -0.070 0.000 0.994 860 E CA 1.593 57.974 56.400 -0.032 0.000 0.801 860 E CB -0.077 29.707 29.700 0.140 0.000 0.743 860 E HN 0.597 nan 8.360 nan 0.000 0.453 861 S N -0.145 115.505 115.700 -0.083 0.000 2.406 861 S HA -0.065 4.406 4.470 0.001 0.000 0.228 861 S C 1.896 176.410 174.600 -0.145 0.000 1.020 861 S CA 0.409 58.561 58.200 -0.080 0.000 0.965 861 S CB -0.224 62.966 63.200 -0.017 0.000 0.798 861 S HN 0.172 nan 8.310 nan 0.000 0.488 862 R N 1.147 121.488 120.500 -0.266 0.000 2.092 862 R HA 0.067 4.408 4.340 0.001 0.000 0.231 862 R C 2.583 178.795 176.300 -0.145 0.000 1.119 862 R CA 1.303 57.255 56.100 -0.246 0.000 0.970 862 R CB -1.425 28.640 30.300 -0.391 0.000 0.864 862 R HN 0.549 nan 8.270 nan 0.000 0.440 863 V N 1.108 120.908 119.914 -0.191 0.000 2.548 863 V HA -0.113 4.008 4.120 0.001 0.000 0.249 863 V C 1.876 177.904 176.094 -0.110 0.000 1.055 863 V CA 1.570 63.728 62.300 -0.237 0.000 1.065 863 V CB -0.062 31.429 31.823 -0.554 0.000 0.681 863 V HN 0.071 nan 8.190 nan 0.000 0.462 864 E N 1.240 121.386 120.200 -0.089 0.000 2.051 864 E HA -0.124 4.226 4.350 0.001 0.000 0.192 864 E C 2.454 179.038 176.600 -0.027 0.000 0.991 864 E CA 1.700 58.068 56.400 -0.053 0.000 0.799 864 E CB -0.859 28.799 29.700 -0.070 0.000 0.748 864 E HN 0.718 nan 8.360 nan 0.000 0.449 865 A N 1.241 124.047 122.820 -0.024 0.000 1.892 865 A HA -0.222 4.098 4.320 0.001 0.000 0.218 865 A C 2.139 179.734 177.584 0.018 0.000 1.188 865 A CA 1.702 53.735 52.037 -0.006 0.000 0.631 865 A CB -1.017 17.978 19.000 -0.009 0.000 0.822 865 A HN 0.316 nan 8.150 nan 0.000 0.447 866 F N 0.562 120.456 119.950 -0.092 0.000 2.120 866 F HA -0.181 4.346 4.527 0.001 0.000 0.300 866 F C 1.865 177.640 175.800 -0.040 0.000 1.095 866 F CA 1.799 59.757 58.000 -0.072 0.000 1.249 866 F CB -0.320 38.622 39.000 -0.097 0.000 0.995 866 F HN 0.155 nan 8.300 nan 0.000 0.480 867 L N -0.259 120.858 121.223 -0.177 0.000 2.083 867 L HA -0.243 4.098 4.340 0.001 0.000 0.209 867 L C 2.431 179.186 176.870 -0.192 0.000 1.083 867 L CA 0.557 55.282 54.840 -0.190 0.000 0.752 867 L CB -0.631 41.454 42.059 0.044 0.000 0.899 867 L HN 0.193 nan 8.230 nan 0.000 0.433 868 I N -0.010 120.487 120.570 -0.122 0.000 2.179 868 I HA -0.241 3.930 4.170 0.001 0.000 0.242 868 I C 2.764 178.782 176.117 -0.164 0.000 1.088 868 I CA 2.197 63.442 61.300 -0.091 0.000 1.357 868 I CB -1.643 36.330 38.000 -0.046 0.000 1.051 868 I HN 0.389 nan 8.210 nan 0.000 0.409 869 T N -1.812 112.621 114.554 -0.202 0.000 3.072 869 T HA -0.079 4.271 4.350 0.001 0.000 0.266 869 T C 1.720 176.244 174.700 -0.294 0.000 1.127 869 T CA 0.583 62.568 62.100 -0.193 0.000 1.107 869 T CB -0.068 68.727 68.868 -0.123 0.000 0.910 869 T HN -0.015 nan 8.240 nan 0.000 0.513 870 M N 1.150 120.465 119.600 -0.475 0.000 2.288 870 M HA 0.188 4.669 4.480 0.001 0.000 0.266 870 M C 2.211 178.290 176.300 -0.368 0.000 1.072 870 M CA 0.981 55.988 55.300 -0.488 0.000 1.132 870 M CB -0.908 31.284 32.600 -0.680 0.000 1.386 870 M HN 0.514 nan 8.290 nan 0.000 0.432 871 E N 0.747 120.719 120.200 -0.381 0.000 2.038 871 E HA -0.225 4.125 4.350 0.001 0.000 0.195 871 E C 1.836 178.320 176.600 -0.194 0.000 1.000 871 E CA 1.545 57.731 56.400 -0.356 0.000 0.803 871 E CB 0.165 29.715 29.700 -0.251 0.000 0.750 871 E HN 0.476 nan 8.360 nan 0.000 0.448 872 K N 0.202 120.515 120.400 -0.144 0.000 2.026 872 K HA -0.115 4.205 4.320 0.001 0.000 0.208 872 K C 2.463 179.011 176.600 -0.087 0.000 1.048 872 K CA 1.264 57.495 56.287 -0.093 0.000 0.929 872 K CB -0.435 32.023 32.500 -0.070 0.000 0.713 872 K HN -0.012 nan 8.250 nan 0.000 0.439 873 S N 1.240 116.876 115.700 -0.107 0.000 2.374 873 S HA -0.154 4.316 4.470 0.001 0.000 0.227 873 S C 1.964 176.530 174.600 -0.057 0.000 1.037 873 S CA 1.180 59.334 58.200 -0.077 0.000 1.024 873 S CB -0.272 62.871 63.200 -0.096 0.000 0.861 873 S HN 0.248 nan 8.310 nan 0.000 0.456 874 I N 0.512 121.030 120.570 -0.086 0.000 2.333 874 I HA -0.041 4.129 4.170 0.001 0.000 0.246 874 I C 2.577 178.664 176.117 -0.049 0.000 1.106 874 I CA 1.122 62.394 61.300 -0.047 0.000 1.411 874 I CB -0.421 37.547 38.000 -0.054 0.000 1.082 874 I HN 0.280 nan 8.210 nan 0.000 0.420 875 E N 1.332 121.492 120.200 -0.067 0.000 2.070 875 E HA -0.250 4.100 4.350 0.001 0.000 0.197 875 E C 1.154 177.728 176.600 -0.044 0.000 1.004 875 E CA 1.656 58.023 56.400 -0.056 0.000 0.805 875 E CB 0.063 29.731 29.700 -0.053 0.000 0.744 875 E HN 0.376 nan 8.360 nan 0.000 0.451 876 D N -0.541 119.837 120.400 -0.036 0.000 2.328 876 D HA 0.028 4.669 4.640 0.001 0.000 0.226 876 D C 0.137 176.430 176.300 -0.012 0.000 1.066 876 D CA 0.106 54.092 54.000 -0.024 0.000 0.861 876 D CB -0.074 40.714 40.800 -0.020 0.000 0.912 876 D HN 0.256 nan 8.370 nan 0.000 0.521 877 M N 1.001 120.598 119.600 -0.006 0.000 2.219 877 M HA 0.004 4.485 4.480 0.001 0.000 0.353 877 M C 0.457 176.769 176.300 0.021 0.000 1.304 877 M CA 0.332 55.647 55.300 0.025 0.000 1.115 877 M CB 0.784 33.425 32.600 0.067 0.000 1.664 877 M HN -0.185 nan 8.290 nan 0.000 0.459 878 T N 2.194 116.765 114.554 0.030 0.000 2.926 878 T HA -0.008 4.343 4.350 0.001 0.000 0.307 878 T C 0.962 175.693 174.700 0.051 0.000 1.059 878 T CA -0.182 61.933 62.100 0.024 0.000 1.122 878 T CB 0.893 69.772 68.868 0.018 0.000 0.972 878 T HN 0.843 nan 8.240 nan 0.000 0.545 879 E N 2.640 122.862 120.200 0.036 0.000 2.160 879 E HA -0.150 4.200 4.350 0.001 0.000 0.195 879 E C 1.861 178.523 176.600 0.103 0.000 0.991 879 E CA 1.991 58.430 56.400 0.065 0.000 0.810 879 E CB -0.109 29.608 29.700 0.027 0.000 0.742 879 E HN 0.834 nan 8.360 nan 0.000 0.466 880 E N -0.688 119.543 120.200 0.052 0.000 2.072 880 E HA -0.159 4.192 4.350 0.001 0.000 0.191 880 E C 1.928 178.524 176.600 -0.007 0.000 0.985 880 E CA 0.968 57.381 56.400 0.023 0.000 0.801 880 E CB -0.247 29.457 29.700 0.005 0.000 0.750 880 E HN 0.355 nan 8.360 nan 0.000 0.452 881 A N 0.589 123.408 122.820 -0.002 0.000 1.933 881 A HA -0.188 4.132 4.320 0.001 0.000 0.218 881 A C 1.978 179.536 177.584 -0.042 0.000 1.175 881 A CA 1.244 53.239 52.037 -0.071 0.000 0.628 881 A CB -0.881 18.104 19.000 -0.026 0.000 0.814 881 A HN 0.499 nan 8.150 nan 0.000 0.444 882 F N 0.692 120.618 119.950 -0.040 0.000 2.126 882 F HA -0.212 4.315 4.527 0.001 0.000 0.299 882 F C 2.467 178.259 175.800 -0.013 0.000 1.096 882 F CA 2.163 60.175 58.000 0.019 0.000 1.255 882 F CB -0.107 38.906 39.000 0.021 0.000 0.997 882 F HN 0.222 nan 8.300 nan 0.000 0.479 883 Q N 0.510 120.289 119.800 -0.036 0.000 2.224 883 Q HA -0.135 4.205 4.340 0.001 0.000 0.203 883 Q C 2.161 178.035 176.000 -0.210 0.000 0.970 883 Q CA 0.969 56.691 55.803 -0.135 0.000 0.865 883 Q CB -0.427 28.293 28.738 -0.029 0.000 0.922 883 Q HN 0.447 nan 8.270 nan 0.000 0.445 884 K N 0.140 120.388 120.400 -0.253 0.000 2.032 884 K HA -0.165 4.156 4.320 0.001 0.000 0.209 884 K C 1.956 178.316 176.600 -0.400 0.000 1.048 884 K CA 1.333 57.387 56.287 -0.389 0.000 0.927 884 K CB -0.369 31.818 32.500 -0.523 0.000 0.712 884 K HN 0.482 nan 8.250 nan 0.000 0.441 885 H N 0.571 119.456 119.070 -0.307 0.000 2.326 885 H HA 0.028 4.584 4.556 0.001 0.000 0.301 885 H C 2.288 177.429 175.328 -0.312 0.000 1.081 885 H CA 1.179 57.046 56.048 -0.302 0.000 1.334 885 H CB -0.000 29.587 29.762 -0.291 0.000 1.385 885 H HN 0.046 nan 8.280 nan 0.000 0.504 886 I N 0.546 120.947 120.570 -0.282 0.000 2.151 886 I HA -0.328 3.843 4.170 0.001 0.000 0.243 886 I C 2.499 178.514 176.117 -0.171 0.000 1.080 886 I CA 1.436 62.571 61.300 -0.275 0.000 1.339 886 I CB -0.238 37.551 38.000 -0.351 0.000 1.039 886 I HN 0.320 nan 8.210 nan 0.000 0.409 887 Q N 1.041 120.741 119.800 -0.167 0.000 2.124 887 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 887 Q C 2.088 178.023 176.000 -0.108 0.000 0.977 887 Q CA 2.105 57.835 55.803 -0.121 0.000 0.850 887 Q CB -0.278 28.386 28.738 -0.123 0.000 0.901 887 Q HN 0.504 nan 8.270 nan 0.000 0.429 888 A N 0.086 122.823 122.820 -0.139 0.000 1.898 888 A HA -0.100 4.221 4.320 0.001 0.000 0.216 888 A C 2.100 179.643 177.584 -0.068 0.000 1.181 888 A CA 1.137 53.108 52.037 -0.110 0.000 0.620 888 A CB -0.724 18.198 19.000 -0.129 0.000 0.819 888 A HN 0.474 nan 8.150 nan 0.000 0.442 889 L N -0.725 120.453 121.223 -0.075 0.000 2.027 889 L HA -0.176 4.164 4.340 0.001 0.000 0.206 889 L C 3.013 179.856 176.870 -0.045 0.000 1.074 889 L CA 1.383 56.187 54.840 -0.061 0.000 0.745 889 L CB -0.628 41.385 42.059 -0.077 0.000 0.898 889 L HN 0.457 nan 8.230 nan 0.000 0.433 890 A N 0.607 123.396 122.820 -0.052 0.000 1.859 890 A HA -0.311 4.009 4.320 0.001 0.000 0.218 890 A C 2.076 179.653 177.584 -0.011 0.000 1.209 890 A CA 2.366 54.384 52.037 -0.032 0.000 0.639 890 A CB -1.031 17.946 19.000 -0.038 0.000 0.835 890 A HN 0.451 nan 8.150 nan 0.000 0.450 891 I N -1.291 119.274 120.570 -0.008 0.000 2.194 891 I HA -0.299 3.872 4.170 0.001 0.000 0.246 891 I C 2.775 178.904 176.117 0.019 0.000 1.093 891 I CA 1.843 63.153 61.300 0.017 0.000 1.355 891 I CB -0.295 37.721 38.000 0.027 0.000 1.046 891 I HN 0.342 nan 8.210 nan 0.000 0.413 892 R N 0.305 120.807 120.500 0.004 0.000 2.080 892 R HA -0.152 4.188 4.340 0.001 0.000 0.236 892 R C 2.489 178.794 176.300 0.008 0.000 1.137 892 R CA 1.453 57.557 56.100 0.006 0.000 0.943 892 R CB -0.055 30.241 30.300 -0.007 0.000 0.846 892 R HN 0.186 nan 8.270 nan 0.000 0.431 893 R N 0.073 120.574 120.500 0.001 0.000 2.090 893 R HA -0.024 4.316 4.340 0.001 0.000 0.228 893 R C 2.108 178.415 176.300 0.012 0.000 1.110 893 R CA 0.875 56.976 56.100 0.002 0.000 0.973 893 R CB -0.340 29.956 30.300 -0.007 0.000 0.869 893 R HN 0.321 nan 8.270 nan 0.000 0.440 894 L N 1.186 122.419 121.223 0.017 0.000 2.558 894 L HA 0.020 4.360 4.340 0.001 0.000 0.225 894 L C 0.419 177.309 176.870 0.033 0.000 1.128 894 L CA -0.149 54.708 54.840 0.027 0.000 0.868 894 L CB -0.122 41.954 42.059 0.027 0.000 1.006 894 L HN 0.037 nan 8.230 nan 0.000 0.454 895 D N 2.409 122.829 120.400 0.032 0.000 2.533 895 D HA -0.067 4.573 4.640 0.001 0.000 0.236 895 D C -0.161 176.159 176.300 0.033 0.000 1.137 895 D CA 0.422 54.443 54.000 0.036 0.000 0.867 895 D CB 0.704 41.525 40.800 0.035 0.000 1.170 895 D HN 0.183 nan 8.370 nan 0.000 0.474 896 K N 3.667 124.087 120.400 0.033 0.000 2.118 896 K HA 0.541 4.861 4.320 0.001 0.000 0.267 896 K C -2.418 174.214 176.600 0.053 0.000 0.991 896 K CA -1.886 54.422 56.287 0.037 0.000 0.916 896 K CB 0.644 33.158 32.500 0.023 0.000 1.041 896 K HN 0.170 nan 8.250 nan 0.000 0.455 897 P HA 0.054 nan 4.420 nan 0.000 0.268 897 P C -0.476 176.953 177.300 0.215 0.000 1.205 897 P CA -0.253 62.916 63.100 0.114 0.000 0.771 897 P CB 0.606 32.391 31.700 0.141 0.000 0.858 898 K N 0.767 121.212 120.400 0.074 0.000 2.367 898 K HA 0.161 4.481 4.320 0.001 0.000 0.195 898 K C 0.485 176.901 176.600 -0.308 0.000 1.060 898 K CA 0.399 56.711 56.287 0.042 0.000 1.022 898 K CB 0.442 32.922 32.500 -0.032 0.000 0.894 898 K HN 0.319 nan 8.250 nan 0.000 0.540 899 K N 0.553 120.648 120.400 -0.509 0.000 2.281 899 K HA 0.199 4.519 4.320 0.001 0.000 0.242 899 K C 0.346 176.295 176.600 -1.086 0.000 0.971 899 K CA -0.461 55.363 56.287 -0.772 0.000 0.834 899 K CB 1.926 34.193 32.500 -0.390 0.000 1.181 899 K HN -0.166 nan 8.250 nan 0.000 0.435 900 L N 1.713 122.303 121.223 -1.055 0.000 2.012 900 L HA -0.218 4.122 4.340 0.001 0.000 0.210 900 L C 1.784 178.510 176.870 -0.240 0.000 1.073 900 L CA 2.112 56.625 54.840 -0.546 0.000 0.748 900 L CB -0.284 41.531 42.059 -0.407 0.000 0.891 900 L HN 0.691 nan 8.230 nan 0.000 0.431 901 S N -0.101 115.453 115.700 -0.242 0.000 2.399 901 S HA -0.124 4.347 4.470 0.001 0.000 0.231 901 S C 2.093 176.638 174.600 -0.092 0.000 1.022 901 S CA 0.908 59.026 58.200 -0.136 0.000 0.983 901 S CB -0.738 62.377 63.200 -0.141 0.000 0.803 901 S HN 0.637 nan 8.310 nan 0.000 0.480 902 A N 1.698 124.445 122.820 -0.123 0.000 1.898 902 A HA -0.117 4.203 4.320 0.001 0.000 0.216 902 A C 2.136 179.676 177.584 -0.073 0.000 1.181 902 A CA 1.390 53.378 52.037 -0.081 0.000 0.620 902 A CB -0.539 18.411 19.000 -0.083 0.000 0.819 902 A HN 0.505 nan 8.150 nan 0.000 0.442 903 E N -0.118 120.052 120.200 -0.050 0.000 2.051 903 E HA -0.135 4.215 4.350 0.001 0.000 0.192 903 E C 2.312 178.731 176.600 -0.301 0.000 0.991 903 E CA 1.289 57.600 56.400 -0.149 0.000 0.799 903 E CB -0.070 29.709 29.700 0.133 0.000 0.748 903 E HN 0.580 nan 8.360 nan 0.000 0.449 904 S N 0.568 116.281 115.700 0.022 0.000 2.365 904 S HA -0.245 4.226 4.470 0.001 0.000 0.225 904 S C 2.068 176.729 174.600 0.101 0.000 1.039 904 S CA 1.228 59.508 58.200 0.134 0.000 1.033 904 S CB -0.346 62.949 63.200 0.157 0.000 0.887 904 S HN 0.451 nan 8.310 nan 0.000 0.447 905 A N 1.274 124.125 122.820 0.052 0.000 1.908 905 A HA -0.172 4.149 4.320 0.001 0.000 0.218 905 A C 2.064 179.706 177.584 0.096 0.000 1.181 905 A CA 1.879 53.982 52.037 0.110 0.000 0.627 905 A CB -0.512 18.517 19.000 0.048 0.000 0.818 905 A HN 0.450 nan 8.150 nan 0.000 0.445 906 K N -1.750 118.629 120.400 -0.034 0.000 2.057 906 K HA -0.155 4.165 4.320 0.001 0.000 0.207 906 K C 1.806 178.456 176.600 0.083 0.000 1.049 906 K CA 1.747 58.002 56.287 -0.053 0.000 0.931 906 K CB -0.267 32.124 32.500 -0.181 0.000 0.714 906 K HN 0.600 nan 8.250 nan 0.000 0.440 907 Y N -0.819 119.570 120.300 0.147 0.000 2.243 907 Y HA -0.181 4.369 4.550 0.001 0.000 0.293 907 Y C 2.065 178.092 175.900 0.212 0.000 1.124 907 Y CA 0.162 58.397 58.100 0.225 0.000 1.159 907 Y CB -0.996 37.512 38.460 0.080 0.000 1.008 907 Y HN 0.263 nan 8.280 nan 0.000 0.527 908 W N 1.304 122.701 121.300 0.162 0.000 2.350 908 W HA -0.188 4.472 4.660 0.001 0.000 0.289 908 W C 2.110 178.634 176.519 0.008 0.000 1.215 908 W CA 1.541 58.934 57.345 0.080 0.000 1.236 908 W CB -0.497 29.013 29.460 0.084 0.000 1.130 908 W HN 0.202 nan 8.180 nan 0.000 0.541 909 G N 0.628 109.441 108.800 0.022 0.000 2.446 909 G HA2 -0.313 3.647 3.960 0.001 0.000 0.217 909 G HA3 -0.313 3.647 3.960 0.001 0.000 0.217 909 G C 1.283 176.021 174.900 -0.269 0.000 1.168 909 G CA 1.088 46.111 45.100 -0.128 0.000 0.771 909 G HN 0.199 nan 8.290 nan 0.000 0.551 910 E N 0.322 120.369 120.200 -0.255 0.000 2.153 910 E HA -0.046 4.305 4.350 0.001 0.000 0.194 910 E C 2.531 178.670 176.600 -0.768 0.000 0.988 910 E CA 0.515 56.617 56.400 -0.496 0.000 0.811 910 E CB -0.085 29.248 29.700 -0.613 0.000 0.746 910 E HN 0.557 nan 8.360 nan 0.000 0.466 911 I N 0.945 121.138 120.570 -0.628 0.000 2.296 911 I HA -0.156 4.014 4.170 0.001 0.000 0.242 911 I C 2.522 178.243 176.117 -0.660 0.000 1.087 911 I CA 0.540 61.423 61.300 -0.695 0.000 1.393 911 I CB -0.321 37.409 38.000 -0.449 0.000 1.093 911 I HN 0.038 nan 8.210 nan 0.000 0.421 912 I N -0.684 119.438 120.570 -0.746 0.000 2.361 912 I HA -0.193 3.978 4.170 0.001 0.000 0.251 912 I C 2.407 178.314 176.117 -0.350 0.000 1.133 912 I CA 1.709 62.683 61.300 -0.543 0.000 1.413 912 I CB -0.653 36.993 38.000 -0.589 0.000 1.073 912 I HN 0.195 nan 8.210 nan 0.000 0.424 913 S N 0.004 115.466 115.700 -0.397 0.000 2.593 913 S HA 0.016 4.486 4.470 0.001 0.000 0.217 913 S C 1.158 175.528 174.600 -0.383 0.000 0.966 913 S CA 0.259 58.274 58.200 -0.307 0.000 0.914 913 S CB -0.315 62.724 63.200 -0.269 0.000 0.776 913 S HN 0.629 nan 8.310 nan 0.000 0.523 914 Q N -0.204 119.243 119.800 -0.588 0.000 2.480 914 Q HA -0.241 4.099 4.340 0.001 0.000 0.265 914 Q C 0.858 176.447 176.000 -0.686 0.000 1.072 914 Q CA 1.347 56.743 55.803 -0.679 0.000 1.018 914 Q CB -1.835 26.751 28.738 -0.254 0.000 1.433 914 Q HN 0.820 nan 8.270 nan 0.000 0.513 915 Q N -1.935 117.389 119.800 -0.793 0.000 2.390 915 Q HA 0.057 4.397 4.340 0.001 0.000 0.216 915 Q C -0.225 175.516 176.000 -0.433 0.000 0.916 915 Q CA 0.597 56.125 55.803 -0.457 0.000 0.911 915 Q CB 0.593 29.124 28.738 -0.345 0.000 1.035 915 Q HN 0.582 nan 8.270 nan 0.000 0.541 916 Y N -0.433 119.513 120.300 -0.591 0.000 4.324 916 Y HA -0.243 4.307 4.550 0.001 0.000 0.224 916 Y C 0.132 175.405 175.900 -1.044 0.000 1.113 916 Y CA 0.615 58.105 58.100 -1.017 0.000 1.887 916 Y CB -2.356 35.737 38.460 -0.611 0.000 1.602 916 Y HN 0.159 nan 8.280 nan 0.000 0.654 917 N N 0.962 119.220 118.700 -0.737 0.000 3.050 917 N HA 0.147 4.887 4.740 0.001 0.000 0.289 917 N C 0.515 175.661 175.510 -0.606 0.000 1.209 917 N CA -0.056 52.537 53.050 -0.762 0.000 1.154 917 N CB -0.527 37.548 38.487 -0.686 0.000 1.444 917 N HN 0.183 nan 8.380 nan 0.000 0.529 918 F N -0.254 119.434 119.950 -0.436 0.000 2.365 918 F HA -0.000 4.527 4.527 0.001 0.000 0.300 918 F C 1.682 176.989 175.800 -0.822 0.000 1.090 918 F CA 0.537 58.198 58.000 -0.565 0.000 1.408 918 F CB 0.027 38.594 39.000 -0.721 0.000 1.060 918 F HN 0.323 nan 8.300 nan 0.000 0.534 919 D N -0.383 119.696 120.400 -0.535 0.000 2.615 919 D HA 0.052 4.693 4.640 0.001 0.000 0.236 919 D C 1.994 178.199 176.300 -0.159 0.000 1.233 919 D CA -0.052 53.753 54.000 -0.325 0.000 0.829 919 D CB -0.152 40.560 40.800 -0.147 0.000 1.024 919 D HN 0.060 nan 8.370 nan 0.000 0.490 920 R N 0.093 120.480 120.500 -0.188 0.000 2.083 920 R HA -0.125 4.215 4.340 0.001 0.000 0.237 920 R C 0.893 177.146 176.300 -0.079 0.000 1.137 920 R CA 1.635 57.635 56.100 -0.166 0.000 0.951 920 R CB 0.070 30.264 30.300 -0.177 0.000 0.851 920 R HN 0.217 nan 8.270 nan 0.000 0.434 921 D N 0.100 120.480 120.400 -0.034 0.000 2.144 921 D HA -0.154 4.487 4.640 0.001 0.000 0.199 921 D C 1.504 177.811 176.300 0.012 0.000 0.984 921 D CA 0.958 54.956 54.000 -0.004 0.000 0.834 921 D CB -0.307 40.504 40.800 0.020 0.000 0.955 921 D HN 0.393 nan 8.370 nan 0.000 0.465 922 N N 0.743 119.462 118.700 0.031 0.000 2.039 922 N HA -0.136 4.604 4.740 0.001 0.000 0.193 922 N C 2.223 177.752 175.510 0.032 0.000 1.044 922 N CA 2.102 55.178 53.050 0.042 0.000 0.847 922 N CB -0.423 38.106 38.487 0.071 0.000 1.030 922 N HN 0.307 nan 8.380 nan 0.000 0.422 923 T N -0.699 113.866 114.554 0.017 0.000 2.746 923 T HA -0.087 4.263 4.350 0.001 0.000 0.267 923 T C 1.740 176.456 174.700 0.028 0.000 1.039 923 T CA 1.139 63.252 62.100 0.021 0.000 1.142 923 T CB -0.246 68.622 68.868 0.000 0.000 0.866 923 T HN 0.225 nan 8.240 nan 0.000 0.444 924 E N 0.238 120.437 120.200 -0.001 0.000 2.072 924 E HA -0.020 4.331 4.350 0.001 0.000 0.190 924 E C 2.402 179.029 176.600 0.045 0.000 0.982 924 E CA 0.986 57.391 56.400 0.008 0.000 0.803 924 E CB -0.129 29.550 29.700 -0.035 0.000 0.755 924 E HN 0.339 nan 8.360 nan 0.000 0.453 925 V N 1.097 121.024 119.914 0.022 0.000 2.427 925 V HA -0.238 3.882 4.120 0.001 0.000 0.248 925 V C 2.237 178.339 176.094 0.014 0.000 1.051 925 V CA 1.711 64.017 62.300 0.010 0.000 1.048 925 V CB -0.506 31.320 31.823 0.004 0.000 0.666 925 V HN 0.314 nan 8.190 nan 0.000 0.456 926 A N -0.835 122.005 122.820 0.034 0.000 1.902 926 A HA -0.288 4.032 4.320 0.001 0.000 0.217 926 A C 2.158 179.766 177.584 0.040 0.000 1.181 926 A CA 2.155 54.212 52.037 0.034 0.000 0.623 926 A CB -0.795 18.233 19.000 0.047 0.000 0.818 926 A HN 0.655 nan 8.150 nan 0.000 0.443 927 Y N 0.014 120.284 120.300 -0.051 0.000 2.242 927 Y HA -0.124 4.426 4.550 0.001 0.000 0.291 927 Y C 1.967 177.809 175.900 -0.096 0.000 1.137 927 Y CA 1.557 59.613 58.100 -0.074 0.000 1.181 927 Y CB -0.249 38.154 38.460 -0.096 0.000 0.989 927 Y HN 0.262 nan 8.280 nan 0.000 0.527 928 L N 1.249 122.430 121.223 -0.069 0.000 2.043 928 L HA -0.247 4.093 4.340 0.001 0.000 0.212 928 L C 2.004 178.760 176.870 -0.189 0.000 1.075 928 L CA 2.039 56.792 54.840 -0.145 0.000 0.752 928 L CB -0.700 41.317 42.059 -0.070 0.000 0.891 928 L HN 0.139 nan 8.230 nan 0.000 0.432 929 K N -1.251 119.067 120.400 -0.137 0.000 2.362 929 K HA -0.077 4.244 4.320 0.001 0.000 0.200 929 K C 1.741 178.276 176.600 -0.109 0.000 1.046 929 K CA 1.455 57.681 56.287 -0.102 0.000 0.952 929 K CB -0.376 32.086 32.500 -0.063 0.000 0.753 929 K HN 0.448 nan 8.250 nan 0.000 0.466 930 T N 1.404 115.835 114.554 -0.204 0.000 2.867 930 T HA -0.051 4.300 4.350 0.001 0.000 0.268 930 T C 0.627 175.229 174.700 -0.163 0.000 1.057 930 T CA 0.442 62.414 62.100 -0.214 0.000 1.136 930 T CB -0.043 68.600 68.868 -0.376 0.000 0.874 930 T HN -0.051 nan 8.240 nan 0.000 0.466 931 L N 2.888 123.999 121.223 -0.187 0.000 2.456 931 L HA 0.249 4.589 4.340 0.001 0.000 0.272 931 L C 1.025 178.025 176.870 0.217 0.000 1.189 931 L CA 0.377 55.203 54.840 -0.024 0.000 0.846 931 L CB 0.234 42.275 42.059 -0.030 0.000 1.111 931 L HN 0.269 nan 8.230 nan 0.000 0.475 932 T N -0.908 113.764 114.554 0.198 0.000 2.942 932 T HA 0.368 4.719 4.350 0.001 0.000 0.289 932 T C 1.012 175.577 174.700 -0.226 0.000 1.044 932 T CA -0.938 61.193 62.100 0.052 0.000 1.023 932 T CB 1.496 70.350 68.868 -0.024 0.000 1.123 932 T HN 0.426 nan 8.240 nan 0.000 0.512 933 K N 0.578 120.413 120.400 -0.942 0.000 2.077 933 K HA -0.250 4.070 4.320 0.001 0.000 0.213 933 K C 2.057 178.496 176.600 -0.269 0.000 1.051 933 K CA 2.435 58.200 56.287 -0.871 0.000 0.929 933 K CB -0.405 31.657 32.500 -0.731 0.000 0.715 933 K HN 0.946 nan 8.250 nan 0.000 0.451 934 E N 0.761 120.858 120.200 -0.171 0.000 2.085 934 E HA -0.208 4.142 4.350 0.001 0.000 0.194 934 E C 1.473 178.086 176.600 0.021 0.000 0.994 934 E CA 1.834 58.200 56.400 -0.056 0.000 0.801 934 E CB 0.012 29.686 29.700 -0.043 0.000 0.743 934 E HN 0.203 nan 8.360 nan 0.000 0.453 935 D N 0.523 120.972 120.400 0.081 0.000 2.097 935 D HA -0.159 4.481 4.640 0.001 0.000 0.195 935 D C 1.977 178.401 176.300 0.208 0.000 0.989 935 D CA 0.991 55.111 54.000 0.200 0.000 0.827 935 D CB -0.128 40.901 40.800 0.382 0.000 0.966 935 D HN 0.276 nan 8.370 nan 0.000 0.456 936 I N 1.417 122.147 120.570 0.267 0.000 2.202 936 I HA -0.192 3.978 4.170 0.001 0.000 0.242 936 I C 2.486 178.766 176.117 0.271 0.000 1.091 936 I CA 0.599 62.106 61.300 0.346 0.000 1.368 936 I CB -0.876 37.379 38.000 0.424 0.000 1.058 936 I HN 0.023 nan 8.210 nan 0.000 0.410 937 I N 0.893 121.556 120.570 0.155 0.000 2.118 937 I HA -0.341 3.829 4.170 0.001 0.000 0.241 937 I C 2.531 178.707 176.117 0.098 0.000 1.070 937 I CA 1.531 62.904 61.300 0.120 0.000 1.327 937 I CB -1.136 36.889 38.000 0.041 0.000 1.034 937 I HN 0.224 nan 8.210 nan 0.000 0.405 938 K N 1.167 121.593 120.400 0.042 0.000 2.044 938 K HA -0.253 4.068 4.320 0.001 0.000 0.210 938 K C 2.180 178.724 176.600 -0.093 0.000 1.049 938 K CA 1.685 57.955 56.287 -0.027 0.000 0.927 938 K CB -0.724 31.758 32.500 -0.030 0.000 0.713 938 K HN 0.184 nan 8.250 nan 0.000 0.443 939 F N 0.141 119.917 119.950 -0.290 0.000 2.161 939 F HA -0.228 4.299 4.527 0.001 0.000 0.300 939 F C 2.030 177.664 175.800 -0.277 0.000 1.089 939 F CA 1.729 59.491 58.000 -0.397 0.000 1.282 939 F CB -0.678 37.995 39.000 -0.544 0.000 1.010 939 F HN 0.239 nan 8.300 nan 0.000 0.485 940 Y N 1.650 121.708 120.300 -0.402 0.000 2.089 940 Y HA -0.205 4.345 4.550 0.001 0.000 0.282 940 Y C 2.140 177.768 175.900 -0.454 0.000 1.139 940 Y CA 2.421 60.198 58.100 -0.539 0.000 1.123 940 Y CB -0.634 37.675 38.460 -0.252 0.000 0.980 940 Y HN 0.019 nan 8.280 nan 0.000 0.493 941 K N 0.383 120.511 120.400 -0.454 0.000 2.288 941 K HA -0.112 4.209 4.320 0.001 0.000 0.201 941 K C 1.905 178.240 176.600 -0.442 0.000 1.048 941 K CA 1.423 57.413 56.287 -0.496 0.000 0.956 941 K CB -0.247 32.136 32.500 -0.194 0.000 0.746 941 K HN 0.551 nan 8.250 nan 0.000 0.461 942 E N 0.010 119.971 120.200 -0.399 0.000 2.158 942 E HA -0.073 4.277 4.350 0.001 0.000 0.191 942 E C 1.495 177.838 176.600 -0.427 0.000 0.982 942 E CA 0.960 57.154 56.400 -0.342 0.000 0.823 942 E CB 0.238 29.787 29.700 -0.252 0.000 0.766 942 E HN 0.111 nan 8.360 nan 0.000 0.468 943 M N -0.664 118.565 119.600 -0.619 0.000 2.858 943 M HA 0.159 4.639 4.480 0.001 0.000 0.255 943 M C 1.980 177.909 176.300 -0.618 0.000 1.336 943 M CA 0.652 55.577 55.300 -0.626 0.000 1.220 943 M CB -0.120 31.991 32.600 -0.815 0.000 1.252 943 M HN 0.148 nan 8.290 nan 0.000 0.538 944 L N -0.234 120.506 121.223 -0.806 0.000 2.467 944 L HA 0.386 4.726 4.340 0.001 0.000 0.213 944 L C 1.264 177.682 176.870 -0.754 0.000 1.053 944 L CA -0.205 54.177 54.840 -0.764 0.000 0.847 944 L CB -0.469 41.130 42.059 -0.768 0.000 1.075 944 L HN 0.069 nan 8.230 nan 0.000 0.479 945 A N 0.544 122.744 122.820 -1.034 0.000 2.555 945 A HA 0.123 4.444 4.320 0.001 0.000 0.233 945 A C 1.577 178.922 177.584 -0.399 0.000 1.060 945 A CA 0.061 51.629 52.037 -0.781 0.000 0.759 945 A CB 0.248 18.738 19.000 -0.850 0.000 0.995 945 A HN 0.103 nan 8.150 nan 0.000 0.506 946 V N 0.855 120.624 119.914 -0.242 0.000 2.511 946 V HA -0.260 3.860 4.120 0.001 0.000 0.257 946 V C 1.119 177.120 176.094 -0.155 0.000 1.088 946 V CA 2.467 64.668 62.300 -0.166 0.000 1.098 946 V CB -1.288 30.468 31.823 -0.111 0.000 0.674 946 V HN 0.996 nan 8.190 nan 0.000 0.470 947 D N -0.670 119.626 120.400 -0.173 0.000 2.650 947 D HA 0.442 5.083 4.640 0.001 0.000 0.265 947 D C 0.361 176.556 176.300 -0.174 0.000 1.339 947 D CA 0.203 54.119 54.000 -0.139 0.000 0.816 947 D CB -0.100 40.639 40.800 -0.102 0.000 1.091 947 D HN 0.461 nan 8.370 nan 0.000 0.483 948 A N 2.060 124.735 122.820 -0.242 0.000 2.511 948 A HA 0.355 4.675 4.320 0.001 0.000 0.242 948 A C -0.961 176.499 177.584 -0.205 0.000 1.069 948 A CA -0.826 51.046 52.037 -0.275 0.000 0.763 948 A CB 0.518 19.288 19.000 -0.385 0.000 1.001 948 A HN 0.097 nan 8.150 nan 0.000 0.498 949 P HA -0.107 nan 4.420 nan 0.000 0.222 949 P C 0.590 177.808 177.300 -0.135 0.000 1.147 949 P CA 1.193 64.219 63.100 -0.123 0.000 0.790 949 P CB 0.195 31.836 31.700 -0.099 0.000 0.780 950 R N -0.604 119.765 120.500 -0.218 0.000 2.652 950 R HA 0.226 4.567 4.340 0.001 0.000 0.372 950 R C 0.636 176.539 176.300 -0.663 0.000 1.104 950 R CA -0.487 55.426 56.100 -0.313 0.000 1.072 950 R CB 0.298 30.474 30.300 -0.206 0.000 1.367 950 R HN 0.050 nan 8.270 nan 0.000 0.577 951 R N 1.062 121.296 120.500 -0.443 0.000 2.401 951 R HA 0.060 4.400 4.340 0.001 0.000 0.299 951 R C -0.893 175.228 176.300 -0.298 0.000 1.064 951 R CA 0.171 56.049 56.100 -0.369 0.000 1.000 951 R CB 0.300 30.481 30.300 -0.198 0.000 0.973 951 R HN 0.267 nan 8.270 nan 0.000 0.438 952 H N 3.306 122.419 119.070 0.072 0.000 2.786 952 H HA 0.240 4.796 4.556 0.001 0.000 0.284 952 H C -0.763 174.628 175.328 0.104 0.000 1.104 952 H CA -0.795 55.320 56.048 0.112 0.000 1.339 952 H CB 1.186 31.000 29.762 0.086 0.000 1.427 952 H HN 0.263 nan 8.280 nan 0.000 0.497 953 K N 3.434 123.996 120.400 0.271 0.000 2.323 953 K HA 0.524 4.844 4.320 0.001 0.000 0.259 953 K C -1.295 175.556 176.600 0.418 0.000 0.947 953 K CA -0.760 55.620 56.287 0.154 0.000 0.819 953 K CB 1.383 33.864 32.500 -0.031 0.000 1.109 953 K HN 0.327 nan 8.250 nan 0.000 0.429 954 V N 1.873 121.980 119.914 0.320 0.000 2.604 954 V HA 0.445 4.566 4.120 0.001 0.000 0.305 954 V C -0.588 175.722 176.094 0.360 0.000 1.043 954 V CA -0.907 61.639 62.300 0.410 0.000 0.888 954 V CB 1.859 33.888 31.823 0.343 0.000 0.995 954 V HN 0.742 nan 8.190 nan 0.000 0.429 955 S N 2.400 118.330 115.700 0.382 0.000 2.561 955 S HA 0.676 5.147 4.470 0.001 0.000 0.303 955 S C -0.562 174.198 174.600 0.268 0.000 1.110 955 S CA -0.534 57.902 58.200 0.394 0.000 1.034 955 S CB 1.865 65.443 63.200 0.630 0.000 1.010 955 S HN 0.508 nan 8.310 nan 0.000 0.482 956 V N 4.378 124.502 119.914 0.350 0.000 2.370 956 V HA 0.384 4.505 4.120 0.001 0.000 0.283 956 V C -0.448 175.933 176.094 0.478 0.000 1.023 956 V CA -0.589 61.917 62.300 0.344 0.000 0.857 956 V CB 0.788 32.826 31.823 0.358 0.000 0.985 956 V HN 0.882 nan 8.190 nan 0.000 0.443 957 H N 3.183 122.342 119.070 0.149 0.000 2.551 957 H HA 0.506 5.062 4.556 0.001 0.000 0.321 957 H C -0.909 174.486 175.328 0.112 0.000 1.028 957 H CA -0.831 55.292 56.048 0.125 0.000 1.215 957 H CB 2.070 31.882 29.762 0.084 0.000 1.414 957 H HN 0.444 nan 8.280 nan 0.000 0.480 958 V N 6.303 126.374 119.914 0.262 0.000 2.328 958 V HA 0.136 4.256 4.120 0.001 0.000 0.278 958 V C 0.372 176.557 176.094 0.152 0.000 1.021 958 V CA -0.568 61.869 62.300 0.229 0.000 0.838 958 V CB 0.779 32.779 31.823 0.295 0.000 0.999 958 V HN 0.581 nan 8.190 nan 0.000 0.447 959 L N 3.920 125.218 121.223 0.124 0.000 2.417 959 L HA 0.548 4.889 4.340 0.001 0.000 0.268 959 L C 1.079 177.998 176.870 0.083 0.000 1.158 959 L CA -0.073 54.823 54.840 0.093 0.000 0.819 959 L CB 0.681 42.786 42.059 0.077 0.000 1.112 959 L HN 0.726 nan 8.230 nan 0.000 0.458 960 A N 2.601 125.461 122.820 0.067 0.000 2.386 960 A HA 0.118 4.439 4.320 0.001 0.000 0.246 960 A C 1.414 179.031 177.584 0.055 0.000 1.089 960 A CA -0.096 51.977 52.037 0.059 0.000 0.790 960 A CB 0.139 19.168 19.000 0.048 0.000 1.042 960 A HN 0.940 nan 8.150 nan 0.000 0.497 961 R N -0.310 120.221 120.500 0.052 0.000 2.153 961 R HA -0.198 4.143 4.340 0.001 0.000 0.252 961 R C 0.490 176.809 176.300 0.032 0.000 1.158 961 R CA 2.393 58.518 56.100 0.041 0.000 0.975 961 R CB -0.021 30.294 30.300 0.026 0.000 0.871 961 R HN 0.863 nan 8.270 nan 0.000 0.450 962 E N -0.932 119.285 120.200 0.028 0.000 2.734 962 E HA 0.187 4.537 4.350 0.001 0.000 0.211 962 E C -0.441 176.173 176.600 0.025 0.000 0.991 962 E CA -0.333 56.080 56.400 0.022 0.000 1.065 962 E CB 0.682 30.390 29.700 0.013 0.000 1.047 962 E HN 0.206 nan 8.360 nan 0.000 0.470 963 M N 0.754 120.374 119.600 0.033 0.000 2.283 963 M HA 0.442 4.922 4.480 0.001 0.000 0.314 963 M C 0.318 176.641 176.300 0.038 0.000 1.153 963 M CA 0.564 55.887 55.300 0.039 0.000 1.084 963 M CB 1.046 33.677 32.600 0.052 0.000 1.468 963 M HN 0.113 nan 8.290 nan 0.000 0.474 980 L N 1.193 122.439 121.223 0.039 0.000 2.354 980 L HA 0.599 4.940 4.340 0.001 0.000 0.269 980 L C 0.209 177.099 176.870 0.034 0.000 1.005 980 L CA -1.011 53.853 54.840 0.041 0.000 0.819 980 L CB 1.821 43.914 42.059 0.055 0.000 1.311 980 L HN 0.638 nan 8.230 nan 0.000 0.423 981 S N 0.944 116.662 115.700 0.030 0.000 2.563 981 S HA 0.119 4.589 4.470 0.001 0.000 0.284 981 S C -0.292 174.321 174.600 0.021 0.000 1.331 981 S CA -0.617 57.595 58.200 0.021 0.000 1.047 981 S CB 0.458 63.668 63.200 0.017 0.000 0.859 981 S HN 0.627 nan 8.310 nan 0.000 0.514 982 Q N 1.850 121.660 119.800 0.017 0.000 2.235 982 Q HA 0.679 5.019 4.340 0.001 0.000 0.250 982 Q C -0.265 175.742 176.000 0.012 0.000 0.909 982 Q CA -0.981 54.835 55.803 0.021 0.000 0.910 982 Q CB 1.208 29.959 28.738 0.022 0.000 1.223 982 Q HN 0.881 nan 8.270 nan 0.000 0.432 983 A N 3.620 126.450 122.820 0.017 0.000 2.371 983 A HA 0.527 4.848 4.320 0.001 0.000 0.257 983 A C -1.955 175.635 177.584 0.008 0.000 1.089 983 A CA -1.241 50.799 52.037 0.006 0.000 0.794 983 A CB -0.299 18.708 19.000 0.011 0.000 1.029 983 A HN 0.800 nan 8.150 nan 0.000 0.488 984 P HA 0.442 nan 4.420 nan 0.000 0.278 984 P C -0.384 176.918 177.300 0.003 0.000 1.258 984 P CA -0.282 62.814 63.100 -0.007 0.000 0.811 984 P CB 0.943 32.629 31.700 -0.024 0.000 1.063 985 A N 2.107 124.931 122.820 0.007 0.000 2.488 985 A HA 0.381 4.702 4.320 0.001 0.000 0.249 985 A C 0.132 177.725 177.584 0.014 0.000 1.083 985 A CA -0.171 51.879 52.037 0.021 0.000 0.768 985 A CB -0.667 18.345 19.000 0.020 0.000 1.017 985 A HN 0.499 nan 8.150 nan 0.000 0.496 986 L N 4.136 125.386 121.223 0.044 0.000 2.334 986 L HA 0.460 4.800 4.340 0.001 0.000 0.276 986 L C -1.620 175.333 176.870 0.137 0.000 1.014 986 L CA -1.899 52.973 54.840 0.053 0.000 0.815 986 L CB 1.534 43.623 42.059 0.050 0.000 1.268 986 L HN 0.624 nan 8.230 nan 0.000 0.428 987 P HA 0.048 nan 4.420 nan 0.000 0.271 987 P C -0.966 176.502 177.300 0.280 0.000 1.233 987 P CA -0.566 62.646 63.100 0.186 0.000 0.789 987 P CB 0.623 32.426 31.700 0.171 0.000 0.951 988 Q N 1.913 121.794 119.800 0.134 0.000 2.297 988 Q HA 0.208 4.548 4.340 0.001 0.000 0.267 988 Q C -2.003 173.970 176.000 -0.044 0.000 1.006 988 Q CA -1.135 54.693 55.803 0.041 0.000 0.896 988 Q CB -0.109 28.623 28.738 -0.010 0.000 1.186 988 Q HN 0.297 nan 8.270 nan 0.000 0.392 989 P HA 0.138 nan 4.420 nan 0.000 0.279 989 P C -1.019 176.025 177.300 -0.425 0.000 1.252 989 P CA -0.479 62.261 63.100 -0.600 0.000 0.811 989 P CB 0.882 31.678 31.700 -1.507 0.000 1.035 990 E N 0.780 120.717 120.200 -0.438 0.000 2.223 990 E HA 0.218 4.569 4.350 0.001 0.000 0.282 990 E C -0.706 175.786 176.600 -0.180 0.000 1.046 990 E CA -0.574 55.664 56.400 -0.270 0.000 0.857 990 E CB 0.716 30.251 29.700 -0.276 0.000 1.055 990 E HN 0.141 nan 8.360 nan 0.000 0.409 991 V N 6.983 126.821 119.914 -0.127 0.000 2.408 991 V HA 0.146 4.266 4.120 0.001 0.000 0.267 991 V C 0.493 176.579 176.094 -0.012 0.000 1.047 991 V CA -0.346 61.884 62.300 -0.117 0.000 0.937 991 V CB 0.692 32.431 31.823 -0.141 0.000 0.999 991 V HN 0.619 nan 8.190 nan 0.000 0.472 992 I N 4.996 125.570 120.570 0.007 0.000 2.494 992 I HA 0.027 4.197 4.170 0.001 0.000 0.289 992 I C 1.174 177.331 176.117 0.066 0.000 1.106 992 I CA 0.170 61.505 61.300 0.059 0.000 1.369 992 I CB 0.621 38.596 38.000 -0.041 0.000 1.410 992 I HN 0.673 nan 8.210 nan 0.000 0.523 993 Q N 3.876 123.715 119.800 0.065 0.000 2.204 993 Q HA 0.065 4.405 4.340 0.001 0.000 0.198 993 Q C 0.244 176.296 176.000 0.086 0.000 0.946 993 Q CA 0.961 56.791 55.803 0.045 0.000 0.859 993 Q CB 0.221 28.976 28.738 0.028 0.000 0.946 993 Q HN 0.666 nan 8.270 nan 0.000 0.474 994 N N -1.254 117.506 118.700 0.099 0.000 2.371 994 N HA 0.259 5.000 4.740 0.001 0.000 0.291 994 N C -0.156 175.402 175.510 0.081 0.000 1.053 994 N CA -0.070 53.034 53.050 0.089 0.000 0.870 994 N CB 0.877 39.405 38.487 0.068 0.000 1.503 994 N HN -0.084 nan 8.380 nan 0.000 0.485 995 M N 0.656 120.271 119.600 0.025 0.000 2.175 995 M HA -0.109 4.371 4.480 0.001 0.000 0.264 995 M C 1.259 177.588 176.300 0.047 0.000 1.063 995 M CA 1.504 56.784 55.300 -0.034 0.000 1.119 995 M CB -0.063 32.447 32.600 -0.150 0.000 1.377 995 M HN 0.638 nan 8.290 nan 0.000 0.415 996 T N -0.171 114.402 114.554 0.031 0.000 2.812 996 T HA -0.111 4.239 4.350 0.001 0.000 0.264 996 T C 1.544 176.260 174.700 0.026 0.000 1.042 996 T CA 1.153 63.264 62.100 0.018 0.000 1.140 996 T CB -0.230 68.650 68.868 0.020 0.000 0.870 996 T HN 0.444 nan 8.240 nan 0.000 0.445 997 E N 0.347 120.578 120.200 0.052 0.000 2.085 997 E HA -0.130 4.220 4.350 0.001 0.000 0.194 997 E C 1.854 178.487 176.600 0.056 0.000 0.994 997 E CA 1.091 57.522 56.400 0.050 0.000 0.801 997 E CB -0.274 29.465 29.700 0.066 0.000 0.743 997 E HN 0.496 nan 8.360 nan 0.000 0.453 998 F N 2.023 121.937 119.950 -0.061 0.000 2.075 998 F HA -0.190 4.337 4.527 0.001 0.000 0.297 998 F C 1.999 177.713 175.800 -0.143 0.000 1.113 998 F CA 1.577 59.511 58.000 -0.110 0.000 1.218 998 F CB 0.009 38.927 39.000 -0.137 0.000 0.984 998 F HN -0.218 nan 8.300 nan 0.000 0.472 999 K N -0.039 120.251 120.400 -0.184 0.000 2.097 999 K HA -0.160 4.160 4.320 0.001 0.000 0.206 999 K C 2.264 178.712 176.600 -0.252 0.000 1.049 999 K CA 1.508 57.626 56.287 -0.281 0.000 0.933 999 K CB -0.240 32.196 32.500 -0.107 0.000 0.717 999 K HN 0.287 nan 8.250 nan 0.000 0.442 1000 R N -0.269 120.138 120.500 -0.156 0.000 2.148 1000 R HA -0.056 4.285 4.340 0.001 0.000 0.223 1000 R C 2.053 178.272 176.300 -0.135 0.000 1.088 1000 R CA 1.095 57.125 56.100 -0.115 0.000 0.985 1000 R CB -0.100 30.163 30.300 -0.061 0.000 0.880 1000 R HN 0.228 nan 8.270 nan 0.000 0.451 1001 G N -0.016 108.680 108.800 -0.175 0.000 3.088 1001 G HA2 0.099 4.059 3.960 0.001 0.000 0.212 1001 G HA3 0.099 4.059 3.960 0.001 0.000 0.212 1001 G C -0.036 174.740 174.900 -0.207 0.000 1.173 1001 G CA 0.026 45.035 45.100 -0.150 0.000 0.779 1001 G HN -0.076 nan 8.290 nan 0.000 0.540 1002 L N -0.255 120.796 121.223 -0.287 0.000 2.354 1002 L HA 0.590 4.930 4.340 0.001 0.000 0.264 1002 L C -2.237 174.496 176.870 -0.228 0.000 1.008 1002 L CA -2.571 52.087 54.840 -0.302 0.000 0.819 1002 L CB 2.101 43.858 42.059 -0.503 0.000 1.339 1002 L HN -0.179 nan 8.230 nan 0.000 0.420 1003 P HA 0.420 nan 4.420 nan 0.000 0.274 1003 P C -1.101 176.087 177.300 -0.187 0.000 1.256 1003 P CA -0.385 62.603 63.100 -0.187 0.000 0.795 1003 P CB 0.547 32.118 31.700 -0.215 0.000 1.038 1004 L N 0.172 121.313 121.223 -0.137 0.000 2.346 1004 L HA 0.448 4.788 4.340 0.001 0.000 0.274 1004 L C 0.309 177.142 176.870 -0.062 0.000 1.007 1004 L CA -0.918 53.885 54.840 -0.062 0.000 0.818 1004 L CB 0.754 42.809 42.059 -0.007 0.000 1.284 1004 L HN 0.244 nan 8.230 nan 0.000 0.424 1005 F N 2.066 121.998 119.950 -0.030 0.000 2.535 1005 F HA 0.158 4.686 4.527 0.001 0.000 0.332 1005 F C -1.466 174.328 175.800 -0.009 0.000 1.208 1005 F CA -0.523 57.466 58.000 -0.018 0.000 1.330 1005 F CB -0.049 38.948 39.000 -0.004 0.000 1.167 1005 F HN 0.291 nan 8.300 nan 0.000 0.597 1006 P HA 0.179 nan 4.420 nan 0.000 0.296 1006 P C -1.034 176.339 177.300 0.121 0.000 1.295 1006 P CA -0.211 62.966 63.100 0.129 0.000 0.754 1006 P CB 0.434 32.197 31.700 0.106 0.000 1.311 1007 L N -0.913 120.349 121.223 0.065 0.000 2.342 1007 L HA 0.350 4.690 4.340 0.001 0.000 0.271 1007 L C -0.306 176.573 176.870 0.014 0.000 1.008 1007 L CA -1.179 53.682 54.840 0.035 0.000 0.818 1007 L CB 1.876 43.945 42.059 0.017 0.000 1.296 1007 L HN -0.017 nan 8.230 nan 0.000 0.427 1008 V N 2.208 122.117 119.914 -0.009 0.000 2.872 1008 V HA -0.024 4.097 4.120 0.001 0.000 0.307 1008 V C 0.283 176.367 176.094 -0.016 0.000 1.072 1008 V CA -0.063 62.225 62.300 -0.020 0.000 1.148 1008 V CB 0.969 32.763 31.823 -0.049 0.000 0.954 1008 V HN 0.584 nan 8.190 nan 0.000 0.490 1009 K N 5.276 125.672 120.400 -0.006 0.000 2.249 1009 K HA 0.311 4.631 4.320 0.001 0.000 0.280 1009 K C -2.336 174.276 176.600 0.018 0.000 1.033 1009 K CA -1.347 54.942 56.287 0.003 0.000 0.946 1009 K CB 0.523 33.024 32.500 0.000 0.000 1.005 1009 K HN 0.385 nan 8.250 nan 0.000 0.469 1010 P HA -0.047 nan 4.420 nan 0.000 0.252 1010 P C -0.477 176.906 177.300 0.139 0.000 1.694 1010 P CA 0.108 63.290 63.100 0.136 0.000 1.163 1010 P CB -0.214 31.619 31.700 0.222 0.000 1.934 1011 H N 0.000 119.066 119.070 -0.007 0.000 2.539 1011 H HA 0.000 4.556 4.556 0.001 0.000 0.296 1011 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 1011 H CB 0.000 29.715 29.762 -0.077 0.000 1.292 1011 H HN 0.000 nan 8.280 nan 0.000 0.496