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 3ixw_1_I DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.566 174.700 -0.223 0.000 1.109 1 T CA 0.000 62.019 62.100 -0.135 0.000 1.349 1 T CB 0.000 68.821 68.868 -0.079 0.000 0.612 2 V N 1.950 121.717 119.914 -0.244 0.000 2.759 2 V HA -0.136 nan 4.120 nan 0.000 0.256 2 V C 1.236 177.210 176.094 -0.200 0.000 1.080 2 V CA 2.413 64.538 62.300 -0.291 0.000 1.101 2 V CB -0.522 31.146 31.823 -0.258 0.000 0.698 2 V HN 0.562 8.635 8.190 -0.195 0.000 0.477 3 A N 0.192 122.933 122.820 -0.132 0.000 1.835 3 A HA -0.305 nan 4.320 nan 0.000 0.215 3 A C 0.474 178.016 177.584 -0.071 0.000 1.199 3 A CA 3.558 55.542 52.037 -0.088 0.000 0.615 3 A CB -0.848 18.117 19.000 -0.058 0.000 0.838 3 A HN -0.070 7.992 8.150 -0.121 0.016 0.444 4 D N -2.226 118.144 120.400 -0.049 0.000 2.263 4 D HA -0.255 nan 4.640 nan 0.000 0.208 4 D C 2.163 178.476 176.300 0.021 0.000 0.971 4 D CA 2.764 56.765 54.000 0.003 0.000 0.867 4 D CB -0.750 40.072 40.800 0.037 0.000 0.929 4 D HN 0.057 8.395 8.370 -0.054 0.000 0.492 5 K N 0.369 120.708 120.400 -0.101 0.000 2.009 5 K HA -0.450 nan 4.320 nan 0.000 0.210 5 K C 2.418 179.006 176.600 -0.020 0.000 1.049 5 K CA 3.086 59.274 56.287 -0.166 0.000 0.929 5 K CB -0.104 31.949 32.500 -0.745 0.000 0.714 5 K HN -0.034 8.092 8.250 -0.177 0.018 0.440 6 Q N -2.158 117.592 119.800 -0.082 0.000 2.061 6 Q HA -0.306 nan 4.340 nan 0.000 0.204 6 Q C 2.440 178.438 176.000 -0.004 0.000 0.984 6 Q CA 2.830 58.595 55.803 -0.062 0.000 0.846 6 Q CB 0.019 28.698 28.738 -0.099 0.000 0.902 6 Q HN -0.576 7.607 8.270 -0.144 0.000 0.421 7 A N -3.392 119.440 122.820 0.019 0.000 2.248 7 A HA -0.162 nan 4.320 nan 0.000 0.210 7 A C 1.286 178.934 177.584 0.108 0.000 1.174 7 A CA 1.688 53.760 52.037 0.057 0.000 0.750 7 A CB -0.723 18.305 19.000 0.046 0.000 0.780 7 A HN 0.031 8.126 8.150 -0.004 0.052 0.478 8 R N -3.198 117.391 120.500 0.148 0.000 2.121 8 R HA 0.007 nan 4.340 nan 0.000 0.206 8 R C 1.859 178.294 176.300 0.224 0.000 1.094 8 R CA 1.936 58.153 56.100 0.195 0.000 1.055 8 R CB 0.741 31.189 30.300 0.247 0.000 0.964 8 R HN -0.500 7.801 8.270 0.144 0.055 0.473 9 L N 0.228 121.592 121.223 0.235 0.000 1.976 9 L HA -0.349 nan 4.340 nan 0.000 0.209 9 L C 2.313 179.374 176.870 0.319 0.000 1.071 9 L CA 3.769 58.778 54.840 0.282 0.000 0.746 9 L CB -0.088 42.083 42.059 0.186 0.000 0.890 9 L HN -0.673 7.687 8.230 0.218 0.000 0.432 10 M N -2.731 116.916 119.600 0.079 0.000 2.117 10 M HA -0.282 nan 4.480 nan 0.000 0.262 10 M C -1.100 175.479 176.300 0.464 0.000 1.065 10 M CA 5.607 60.939 55.300 0.053 0.000 1.114 10 M CB -2.436 29.915 32.600 -0.416 0.000 1.361 10 M HN -0.570 7.722 8.290 0.004 0.000 0.408 11 P HA -0.284 nan 4.420 nan 0.000 0.217 11 P C 0.255 177.712 177.300 0.262 0.000 1.151 11 P CA 2.855 66.114 63.100 0.266 0.000 0.849 11 P CB -0.572 31.238 31.700 0.184 0.000 0.787 12 L N -5.531 115.873 121.223 0.302 0.000 2.093 12 L HA -0.205 nan 4.340 nan 0.000 0.208 12 L C 1.246 178.242 176.870 0.211 0.000 1.085 12 L CA 1.777 56.754 54.840 0.227 0.000 0.755 12 L CB -0.032 42.156 42.059 0.214 0.000 0.904 12 L HN -0.760 7.580 8.230 0.329 0.088 0.435 13 F N -4.573 115.527 119.950 0.250 0.000 2.802 13 F HA -0.102 nan 4.527 nan 0.000 0.300 13 F C 0.416 176.278 175.800 0.103 0.000 1.168 13 F CA 1.007 59.183 58.000 0.293 0.000 1.433 13 F CB -0.325 39.023 39.000 0.581 0.000 1.115 13 F HN -0.576 8.178 8.300 0.884 0.077 0.582 14 K N 0.855 121.363 120.400 0.181 0.000 2.054 14 K HA -0.133 nan 4.320 nan 0.000 0.242 14 K C -1.452 174.957 176.600 -0.319 0.000 1.157 14 K CA 0.255 56.403 56.287 -0.231 0.000 1.079 14 K CB -1.660 30.763 32.500 -0.128 0.000 1.331 14 K HN -0.418 7.877 8.250 0.339 0.159 0.317 15 H N -2.343 116.686 119.070 -0.068 0.000 3.371 15 H HA -0.383 nan 4.556 nan 0.000 0.368 15 H C -1.090 174.155 175.328 -0.137 0.000 1.178 15 H CA -0.056 55.919 56.048 -0.122 0.000 1.191 15 H CB -3.073 26.599 29.762 -0.150 0.000 1.547 15 H HN 0.081 8.133 8.280 -0.297 0.050 0.411 16 L N 1.618 122.769 121.223 -0.119 0.000 1.971 16 L HA -0.145 nan 4.340 nan 0.000 0.208 16 L C 1.368 178.162 176.870 -0.126 0.000 1.083 16 L CA 2.275 56.983 54.840 -0.220 0.000 0.753 16 L CB 0.006 41.819 42.059 -0.411 0.000 0.893 16 L HN 0.222 8.362 8.230 -0.150 0.000 0.436 17 T N 1.670 116.179 114.554 -0.075 0.000 2.668 17 T HA -0.540 nan 4.350 nan 0.000 0.265 17 T C 1.952 176.643 174.700 -0.015 0.000 1.041 17 T CA 4.059 66.171 62.100 0.020 0.000 1.160 17 T CB -1.074 67.846 68.868 0.086 0.000 0.857 17 T HN 0.381 8.548 8.240 -0.122 0.000 0.455 18 A N 0.118 122.917 122.820 -0.035 0.000 2.186 18 A HA -0.184 nan 4.320 nan 0.000 0.219 18 A C 2.155 179.702 177.584 -0.061 0.000 1.159 18 A CA 2.073 54.081 52.037 -0.048 0.000 0.680 18 A CB -0.998 17.966 19.000 -0.059 0.000 0.787 18 A HN -0.105 8.006 8.150 -0.037 0.017 0.467 19 L N -2.388 118.790 121.223 -0.074 0.000 2.191 19 L HA -0.363 nan 4.340 nan 0.000 0.212 19 L C 1.763 178.563 176.870 -0.117 0.000 1.103 19 L CA 2.350 57.132 54.840 -0.096 0.000 0.769 19 L CB -0.449 41.539 42.059 -0.118 0.000 0.908 19 L HN 0.242 8.382 8.230 -0.074 0.046 0.438 20 T N -1.750 112.743 114.554 -0.102 0.000 2.737 20 T HA -0.268 nan 4.350 nan 0.000 0.269 20 T C -0.193 174.446 174.700 -0.103 0.000 1.040 20 T CA 2.732 64.766 62.100 -0.108 0.000 1.142 20 T CB -0.021 68.810 68.868 -0.061 0.000 0.861 20 T HN -0.004 8.020 8.240 -0.075 0.171 0.456 21 R N 0.012 120.465 120.500 -0.079 0.000 2.265 21 R HA 0.242 nan 4.340 nan 0.000 0.328 21 R C -0.868 175.389 176.300 -0.072 0.000 0.969 21 R CA -0.100 55.958 56.100 -0.071 0.000 0.832 21 R CB 1.110 31.378 30.300 -0.054 0.000 1.139 21 R HN -0.807 7.401 8.270 -0.071 0.019 0.457 22 E N 3.434 123.588 120.200 -0.075 0.000 2.310 22 E HA 0.265 nan 4.350 nan 0.000 0.243 22 E C -1.988 174.577 176.600 -0.059 0.000 1.027 22 E CA -1.914 54.446 56.400 -0.067 0.000 0.887 22 E CB 4.570 34.225 29.700 -0.076 0.000 1.828 22 E HN 0.141 8.452 8.360 -0.082 0.000 0.456 23 K N 0.082 120.451 120.400 -0.050 0.000 2.227 23 K HA 0.170 nan 4.320 nan 0.000 0.280 23 K C -0.976 175.599 176.600 -0.043 0.000 1.041 23 K CA 0.284 56.547 56.287 -0.041 0.000 0.905 23 K CB 0.623 33.105 32.500 -0.031 0.000 1.068 23 K HN 0.277 8.498 8.250 -0.049 0.000 0.470 24 L N 3.664 124.862 121.223 -0.041 0.000 2.466 24 L HA 0.542 nan 4.340 nan 0.000 0.258 24 L C -1.907 174.944 176.870 -0.032 0.000 0.973 24 L CA -1.374 53.441 54.840 -0.042 0.000 0.826 24 L CB 2.155 44.177 42.059 -0.061 0.000 1.372 24 L HN -0.041 8.166 8.230 -0.038 0.000 0.409 25 P HA 0.482 nan 4.420 nan 0.000 0.307 25 P C -1.782 175.508 177.300 -0.017 0.000 1.371 25 P CA -0.130 62.959 63.100 -0.018 0.000 0.850 25 P CB 1.232 32.925 31.700 -0.012 0.000 2.144 26 L N -0.893 120.323 121.223 -0.012 0.000 2.354 26 L HA 0.337 nan 4.340 nan 0.000 0.264 26 L C 0.939 177.805 176.870 -0.007 0.000 1.008 26 L CA -1.084 53.750 54.840 -0.009 0.000 0.819 26 L CB 2.706 44.761 42.059 -0.006 0.000 1.339 26 L HN -0.321 7.903 8.230 -0.009 0.000 0.420 27 D N 0.818 121.215 120.400 -0.006 0.000 2.183 27 D HA -0.307 nan 4.640 nan 0.000 0.203 27 D C 1.273 177.573 176.300 -0.001 0.000 0.969 27 D CA 2.588 56.585 54.000 -0.004 0.000 0.842 27 D CB -0.246 40.553 40.800 -0.002 0.000 0.957 27 D HN 0.425 8.793 8.370 -0.005 0.000 0.484 28 Q N -0.144 119.656 119.800 0.001 0.000 2.242 28 Q HA -0.359 nan 4.340 nan 0.000 0.211 28 Q C 2.316 178.319 176.000 0.005 0.000 0.992 28 Q CA 2.455 58.260 55.803 0.003 0.000 0.889 28 Q CB -1.136 27.604 28.738 0.003 0.000 0.913 28 Q HN 0.235 8.481 8.270 -0.000 0.024 0.422 29 R N -0.807 119.696 120.500 0.004 0.000 2.159 29 R HA -0.349 nan 4.340 nan 0.000 0.252 29 R C 1.479 177.784 176.300 0.008 0.000 1.144 29 R CA 1.983 58.087 56.100 0.006 0.000 0.961 29 R CB -0.304 29.999 30.300 0.004 0.000 0.877 29 R HN -0.522 7.726 8.270 0.002 0.023 0.444 30 D N -1.777 118.627 120.400 0.006 0.000 2.590 30 D HA 0.329 nan 4.640 nan 0.000 0.280 30 D C -0.136 176.170 176.300 0.010 0.000 1.197 30 D CA -0.608 53.398 54.000 0.009 0.000 0.967 30 D CB -0.195 40.609 40.800 0.007 0.000 0.987 30 D HN -0.195 8.159 8.370 0.004 0.018 0.508 31 E N 1.783 121.989 120.200 0.010 0.000 2.164 31 E HA -0.494 nan 4.350 nan 0.000 0.206 31 E C 1.167 177.775 176.600 0.013 0.000 1.032 31 E CA 3.379 59.785 56.400 0.011 0.000 0.832 31 E CB -0.656 29.051 29.700 0.011 0.000 0.742 31 E HN -0.303 7.993 8.360 0.010 0.070 0.460 32 R N -2.768 117.740 120.500 0.014 0.000 2.134 32 R HA -0.286 nan 4.340 nan 0.000 0.248 32 R C 1.508 177.818 176.300 0.017 0.000 1.143 32 R CA 2.230 58.341 56.100 0.017 0.000 0.957 32 R CB -0.325 29.987 30.300 0.020 0.000 0.867 32 R HN 0.205 8.489 8.270 0.015 -0.006 0.441 33 L N -3.261 117.970 121.223 0.014 0.000 2.492 33 L HA -0.012 nan 4.340 nan 0.000 0.223 33 L C 0.551 177.429 176.870 0.013 0.000 1.132 33 L CA 0.082 54.929 54.840 0.013 0.000 0.850 33 L CB 0.194 42.257 42.059 0.007 0.000 0.966 33 L HN -0.168 7.949 8.230 0.013 0.121 0.454 34 K N -1.479 118.929 120.400 0.012 0.000 3.785 34 K HA -0.340 nan 4.320 nan 0.000 0.265 34 K C 0.293 176.901 176.600 0.013 0.000 0.768 34 K CA 0.804 57.099 56.287 0.012 0.000 0.544 34 K CB -1.663 30.845 32.500 0.013 0.000 1.799 34 K HN -0.260 7.949 8.250 0.012 0.048 0.448 35 G N -4.745 104.058 108.800 0.004 0.000 4.718 35 G HA2 -0.165 nan 3.960 nan 0.000 0.221 35 G HA3 -0.165 nan 3.960 nan 0.000 0.221 35 G C -2.039 172.866 174.900 0.008 0.000 0.720 35 G CA -0.163 44.942 45.100 0.008 0.000 1.094 35 G HN -0.253 8.037 8.290 0.000 0.000 0.760 36 V N -0.719 119.194 119.914 -0.002 0.000 2.588 36 V HA 0.495 nan 4.120 nan 0.000 0.304 36 V C -1.459 174.624 176.094 -0.019 0.000 1.042 36 V CA -0.786 61.510 62.300 -0.008 0.000 0.877 36 V CB 0.942 32.754 31.823 -0.019 0.000 0.996 36 V HN -0.692 7.495 8.190 -0.006 0.000 0.425 37 G N 6.875 115.664 108.800 -0.018 0.000 4.820 37 G HA2 0.100 nan 3.960 nan 0.000 0.223 37 G HA3 0.100 nan 3.960 nan 0.000 0.223 37 G C -0.429 174.458 174.900 -0.021 0.000 1.029 37 G CA 1.000 46.081 45.100 -0.031 0.000 1.144 37 G HN 0.373 8.659 8.290 -0.005 0.000 0.618 38 I N -3.809 116.757 120.570 -0.006 0.000 3.976 38 I HA 0.117 nan 4.170 nan 0.000 0.337 38 I C -1.267 174.875 176.117 0.042 0.000 1.359 38 I CA 0.111 61.425 61.300 0.024 0.000 1.098 38 I CB 0.317 38.345 38.000 0.046 0.000 1.027 38 I HN -0.472 7.731 8.210 -0.012 0.000 0.394 39 L N 2.548 123.768 121.223 -0.004 0.000 2.401 39 L HA 0.529 nan 4.340 nan 0.000 0.263 39 L C -2.432 174.404 176.870 -0.055 0.000 1.004 39 L CA -3.185 51.637 54.840 -0.031 0.000 0.881 39 L CB 2.810 44.781 42.059 -0.147 0.000 1.219 39 L HN -0.539 7.621 8.230 -0.034 0.050 0.441 40 P HA 0.307 nan 4.420 nan 0.000 0.280 40 P C -0.845 176.431 177.300 -0.039 0.000 1.300 40 P CA -0.614 62.464 63.100 -0.037 0.000 0.785 40 P CB -0.066 31.621 31.700 -0.023 0.000 0.874 41 R N 5.681 126.149 120.500 -0.052 0.000 3.559 41 R HA -0.424 nan 4.340 nan 0.000 0.569 41 R C 0.092 176.372 176.300 -0.033 0.000 0.241 41 R CA 1.553 57.626 56.100 -0.046 0.000 1.762 41 R CB -2.205 28.071 30.300 -0.039 0.000 0.881 41 R HN 0.021 8.253 8.270 -0.064 0.000 0.615 42 G N 1.483 110.272 108.800 -0.019 0.000 3.263 42 G HA2 0.003 nan 3.960 nan 0.000 0.246 42 G HA3 0.003 nan 3.960 nan 0.000 0.246 42 G C -0.782 174.116 174.900 -0.004 0.000 0.982 42 G CA -0.225 44.870 45.100 -0.009 0.000 1.897 42 G HN 0.397 8.677 8.290 -0.017 0.000 0.624 43 T N -0.081 114.471 114.554 -0.003 0.000 2.794 43 T HA 0.059 nan 4.350 nan 0.000 0.304 43 T C 0.765 175.483 174.700 0.029 0.000 0.973 43 T CA -1.029 61.081 62.100 0.016 0.000 0.972 43 T CB 0.578 69.457 68.868 0.018 0.000 0.952 43 T HN -0.444 7.698 8.240 -0.014 0.090 0.509 44 L N 6.181 127.427 121.223 0.038 0.000 2.949 44 L HA -0.115 nan 4.340 nan 0.000 0.263 44 L C -0.169 176.744 176.870 0.072 0.000 1.190 44 L CA -0.133 54.724 54.840 0.028 0.000 1.022 44 L CB -1.481 40.569 42.059 -0.015 0.000 1.313 44 L HN 0.421 8.680 8.230 0.047 0.000 0.413 45 F N -1.523 118.366 119.950 -0.101 0.000 2.121 45 F HA -0.391 nan 4.527 nan 0.000 0.470 45 F C -1.654 174.113 175.800 -0.055 0.000 1.232 45 F CA 0.108 58.029 58.000 -0.133 0.000 1.518 45 F CB -0.208 38.684 39.000 -0.181 0.000 2.410 45 F HN -0.654 7.728 8.300 0.137 0.000 0.729 46 S N 5.497 121.092 115.700 -0.175 0.000 2.422 46 S HA 0.224 nan 4.470 nan 0.000 0.298 46 S C 1.568 175.708 174.600 -0.766 0.000 1.118 46 S CA -1.298 56.700 58.200 -0.338 0.000 1.083 46 S CB 1.192 64.355 63.200 -0.062 0.000 0.971 46 S HN 0.304 8.717 8.310 0.173 0.000 0.478 47 C N 9.336 127.903 119.300 -1.221 0.000 2.419 47 C HA -0.184 nan 4.460 nan 0.000 0.283 47 C C 0.637 174.973 174.990 -1.091 0.000 1.373 47 C CA 2.256 60.385 59.018 -1.482 0.000 1.781 47 C CB -1.147 25.708 27.740 -1.476 0.000 1.886 47 C HN 1.118 8.767 8.230 -0.968 0.000 0.520 48 F N -5.184 114.573 119.950 -0.322 0.000 2.695 48 F HA 0.146 nan 4.527 nan 0.000 0.303 48 F C -0.509 175.103 175.800 -0.314 0.000 1.091 48 F CA -0.733 57.062 58.000 -0.341 0.000 1.300 48 F CB -0.072 38.732 39.000 -0.327 0.000 1.071 48 F HN -0.667 7.313 8.300 -0.484 0.030 0.578 49 H N 2.087 121.115 119.070 -0.071 0.000 3.026 49 H HA -0.091 nan 4.556 nan 0.000 0.289 49 H C 0.585 175.904 175.328 -0.016 0.000 1.022 49 H CA 0.319 56.371 56.048 0.007 0.000 1.477 49 H CB 1.039 30.790 29.762 -0.018 0.000 1.510 49 H HN -0.774 7.400 8.280 0.017 0.116 0.535 50 A N 7.781 130.383 122.820 -0.364 0.000 1.927 50 A HA -0.484 nan 4.320 nan 0.000 0.220 50 A C 1.423 178.999 177.584 -0.014 0.000 1.185 50 A CA 3.488 55.481 52.037 -0.073 0.000 0.639 50 A CB -0.285 18.837 19.000 0.203 0.000 0.820 50 A HN 0.178 8.266 8.150 -0.397 -0.176 0.451 51 R N -3.212 117.259 120.500 -0.049 0.000 2.120 51 R HA -0.355 nan 4.340 nan 0.000 0.234 51 R C 2.205 178.564 176.300 0.098 0.000 1.123 51 R CA 2.976 59.094 56.100 0.030 0.000 0.975 51 R CB -0.820 29.500 30.300 0.033 0.000 0.866 51 R HN 0.057 8.178 8.270 -0.205 0.026 0.446 52 H N -0.439 118.759 119.070 0.213 0.000 2.470 52 H HA -0.047 nan 4.556 nan 0.000 0.289 52 H C 2.799 178.224 175.328 0.160 0.000 1.033 52 H CA 1.833 58.009 56.048 0.212 0.000 1.331 52 H CB -0.402 29.606 29.762 0.409 0.000 1.414 52 H HN 0.209 8.493 8.280 0.061 0.033 0.545 53 L N -0.609 120.759 121.223 0.242 0.000 2.072 53 L HA -0.316 nan 4.340 nan 0.000 0.205 53 L C 1.571 178.531 176.870 0.149 0.000 1.079 53 L CA 2.594 57.543 54.840 0.181 0.000 0.752 53 L CB -0.619 41.511 42.059 0.119 0.000 0.906 53 L HN -0.664 7.686 8.230 0.199 0.000 0.436 54 A N -0.637 122.257 122.820 0.124 0.000 1.865 54 A HA -0.432 nan 4.320 nan 0.000 0.217 54 A C 2.130 179.758 177.584 0.073 0.000 1.191 54 A CA 3.281 55.379 52.037 0.101 0.000 0.623 54 A CB -1.112 17.944 19.000 0.092 0.000 0.826 54 A HN -0.441 7.780 8.150 0.118 0.000 0.444 55 E N -1.675 118.575 120.200 0.082 0.000 2.070 55 E HA -0.435 nan 4.350 nan 0.000 0.197 55 E C 2.487 179.058 176.600 -0.049 0.000 1.004 55 E CA 2.985 59.411 56.400 0.045 0.000 0.805 55 E CB -0.126 29.636 29.700 0.102 0.000 0.744 55 E HN 0.324 8.648 8.360 0.120 0.109 0.451 56 A N -1.936 120.828 122.820 -0.094 0.000 2.019 56 A HA -0.187 nan 4.320 nan 0.000 0.219 56 A C 2.148 179.407 177.584 -0.541 0.000 1.164 56 A CA 2.937 54.757 52.037 -0.362 0.000 0.644 56 A CB -0.701 18.089 19.000 -0.350 0.000 0.805 56 A HN -0.087 7.945 8.150 0.002 0.119 0.449 57 T N 0.686 115.176 114.554 -0.107 0.000 2.995 57 T HA -0.216 nan 4.350 nan 0.000 0.269 57 T C 1.901 176.642 174.700 0.068 0.000 1.091 57 T CA 3.997 66.184 62.100 0.144 0.000 1.128 57 T CB -0.658 68.356 68.868 0.243 0.000 0.891 57 T HN 0.071 8.162 8.240 -0.000 0.148 0.492 58 E N 2.148 122.347 120.200 -0.002 0.000 2.051 58 E HA -0.335 nan 4.350 nan 0.000 0.192 58 E C 2.005 178.591 176.600 -0.023 0.000 0.991 58 E CA 3.628 60.028 56.400 0.001 0.000 0.799 58 E CB -0.089 29.608 29.700 -0.005 0.000 0.748 58 E HN -0.491 7.858 8.360 -0.008 0.006 0.449 59 L N -1.178 119.975 121.223 -0.118 0.000 2.093 59 L HA -0.346 nan 4.340 nan 0.000 0.208 59 L C 2.353 179.180 176.870 -0.071 0.000 1.085 59 L CA 3.676 58.435 54.840 -0.135 0.000 0.755 59 L CB -0.268 41.653 42.059 -0.230 0.000 0.904 59 L HN -0.598 7.461 8.230 -0.165 0.071 0.435 60 Y N -2.289 118.074 120.300 0.105 0.000 2.163 60 Y HA -0.386 nan 4.550 nan 0.000 0.288 60 Y C 2.354 178.395 175.900 0.235 0.000 1.136 60 Y CA 3.231 61.444 58.100 0.187 0.000 1.147 60 Y CB -1.450 37.132 38.460 0.203 0.000 0.987 60 Y HN 0.209 8.112 8.280 -0.307 0.192 0.509 61 V N -4.071 115.999 119.914 0.259 0.000 2.427 61 V HA -0.406 nan 4.120 nan 0.000 0.248 61 V C 1.759 177.939 176.094 0.144 0.000 1.051 61 V CA 2.499 64.904 62.300 0.175 0.000 1.048 61 V CB -1.348 30.528 31.823 0.089 0.000 0.666 61 V HN -0.062 8.251 8.190 0.205 0.000 0.456 62 A N 0.706 123.587 122.820 0.100 0.000 1.841 62 A HA -0.286 nan 4.320 nan 0.000 0.216 62 A C 2.166 179.795 177.584 0.075 0.000 1.199 62 A CA 2.999 55.077 52.037 0.069 0.000 0.621 62 A CB -0.630 18.390 19.000 0.035 0.000 0.835 62 A HN -0.158 8.042 8.150 0.082 0.000 0.445 63 L N -1.995 119.260 121.223 0.054 0.000 2.131 63 L HA -0.334 nan 4.340 nan 0.000 0.210 63 L C 2.355 179.189 176.870 -0.061 0.000 1.092 63 L CA 2.606 57.432 54.840 -0.023 0.000 0.759 63 L CB -0.666 41.336 42.059 -0.095 0.000 0.903 63 L HN 0.062 8.220 8.230 0.068 0.113 0.435 64 Y N -3.129 117.215 120.300 0.073 0.000 2.274 64 Y HA -0.279 nan 4.550 nan 0.000 0.290 64 Y C 1.929 177.844 175.900 0.026 0.000 1.145 64 Y CA 2.332 60.452 58.100 0.034 0.000 1.203 64 Y CB -0.197 38.246 38.460 -0.027 0.000 0.984 64 Y HN -0.391 8.017 8.280 0.212 0.000 0.533 65 G N -1.645 107.255 108.800 0.167 0.000 3.102 65 G HA2 -0.071 nan 3.960 nan 0.000 0.264 65 G HA3 -0.071 nan 3.960 nan 0.000 0.264 65 G C -1.308 173.640 174.900 0.081 0.000 0.788 65 G CA -0.577 44.586 45.100 0.105 0.000 2.029 65 G HN -0.493 7.747 8.290 0.157 0.145 0.608 66 A N 2.367 125.238 122.820 0.086 0.000 2.274 66 A HA 0.445 nan 4.320 nan 0.000 0.297 66 A C -0.920 176.700 177.584 0.061 0.000 1.191 66 A CA -0.689 51.393 52.037 0.076 0.000 0.889 66 A CB 1.547 20.601 19.000 0.089 0.000 1.294 66 A HN -0.073 8.082 8.150 0.099 0.054 0.506 67 K N -1.074 119.360 120.400 0.058 0.000 2.230 67 K HA 0.069 nan 4.320 nan 0.000 0.219 67 K C -0.422 176.215 176.600 0.062 0.000 1.033 67 K CA 0.567 56.886 56.287 0.054 0.000 0.937 67 K CB 0.959 33.489 32.500 0.050 0.000 1.018 67 K HN 0.496 8.960 8.250 0.058 -0.179 0.463 68 D N -3.853 116.586 120.400 0.065 0.000 2.798 68 D HA 0.013 nan 4.640 nan 0.000 0.308 68 D C 0.008 176.357 176.300 0.081 0.000 1.187 68 D CA -1.052 53.008 54.000 0.099 0.000 1.033 68 D CB 0.900 41.773 40.800 0.122 0.000 1.445 68 D HN -0.581 7.821 8.370 0.053 0.000 0.550 69 F N -0.457 119.549 119.950 0.093 0.000 2.202 69 F HA -0.295 nan 4.527 nan 0.000 0.301 69 F C 0.947 176.872 175.800 0.208 0.000 1.082 69 F CA 3.215 61.299 58.000 0.140 0.000 1.313 69 F CB 0.500 39.553 39.000 0.088 0.000 1.024 69 F HN 0.219 8.740 8.300 0.367 0.000 0.495 70 N N -1.141 117.533 118.700 -0.043 0.000 2.132 70 N HA -0.252 nan 4.740 nan 0.000 0.187 70 N C 1.575 177.016 175.510 -0.116 0.000 1.038 70 N CA 2.951 55.959 53.050 -0.071 0.000 0.846 70 N CB -0.313 38.216 38.487 0.070 0.000 1.012 70 N HN -0.610 8.204 8.380 0.125 -0.359 0.429 71 D N 0.851 121.232 120.400 -0.032 0.000 2.182 71 D HA -0.285 nan 4.640 nan 0.000 0.201 71 D C 1.912 178.181 176.300 -0.052 0.000 0.986 71 D CA 3.103 57.103 54.000 -0.001 0.000 0.847 71 D CB 0.082 40.903 40.800 0.034 0.000 0.942 71 D HN -0.418 8.281 8.370 0.006 -0.326 0.467 72 F N 0.629 120.412 119.950 -0.278 0.000 2.091 72 F HA -0.385 nan 4.527 nan 0.000 0.299 72 F C 1.318 176.884 175.800 -0.389 0.000 1.103 72 F CA 3.384 61.164 58.000 -0.366 0.000 1.228 72 F CB 0.088 38.760 39.000 -0.548 0.000 0.984 72 F HN -0.219 8.076 8.300 -0.008 0.001 0.477 73 I N -2.032 118.116 120.570 -0.703 0.000 2.252 73 I HA -0.528 nan 4.170 nan 0.000 0.245 73 I C 1.971 177.889 176.117 -0.333 0.000 1.102 73 I CA 2.236 63.155 61.300 -0.636 0.000 1.385 73 I CB -1.560 36.138 38.000 -0.504 0.000 1.064 73 I HN -0.457 7.309 8.210 -0.573 0.100 0.414 74 H N 1.305 120.228 119.070 -0.246 0.000 2.321 74 H HA -0.295 nan 4.556 nan 0.000 0.300 74 H C 2.313 177.563 175.328 -0.129 0.000 1.087 74 H CA 3.529 59.490 56.048 -0.144 0.000 1.319 74 H CB 0.059 29.767 29.762 -0.091 0.000 1.379 74 H HN -0.418 7.793 8.280 -0.114 0.000 0.501 75 L N -1.139 119.844 121.223 -0.401 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.569 178.302 176.870 -0.229 0.000 1.075 75 L CA 3.632 58.277 54.840 -0.324 0.000 0.752 75 L CB -0.520 41.433 42.059 -0.177 0.000 0.891 75 L HN -0.117 7.967 8.230 -0.244 0.000 0.432 76 C N -1.758 117.394 119.300 -0.247 0.000 2.432 76 C HA -0.372 nan 4.460 nan 0.000 0.280 76 C C 2.267 177.248 174.990 -0.015 0.000 1.353 76 C CA 3.102 62.129 59.018 0.016 0.000 1.766 76 C CB -2.225 25.336 27.740 -0.298 0.000 1.924 76 C HN -0.240 7.668 8.230 -0.413 0.073 0.509 77 E N 0.586 120.690 120.200 -0.162 0.000 2.031 77 E HA -0.445 nan 4.350 nan 0.000 0.193 77 E C 1.658 178.130 176.600 -0.212 0.000 0.994 77 E CA 3.274 59.592 56.400 -0.137 0.000 0.800 77 E CB -0.311 29.356 29.700 -0.054 0.000 0.752 77 E HN 0.132 8.259 8.360 -0.227 0.096 0.447 78 Q N -1.083 118.536 119.800 -0.302 0.000 1.969 78 Q HA -0.208 nan 4.340 nan 0.000 0.198 78 Q C 2.571 178.415 176.000 -0.260 0.000 0.978 78 Q CA 2.703 58.347 55.803 -0.266 0.000 0.830 78 Q CB 0.326 28.860 28.738 -0.339 0.000 0.896 78 Q HN -0.307 7.710 8.270 -0.421 0.000 0.431 79 A N -0.998 121.675 122.820 -0.245 0.000 1.978 79 A HA -0.302 nan 4.320 nan 0.000 0.220 79 A C 1.925 179.206 177.584 -0.504 0.000 1.170 79 A CA 3.142 55.038 52.037 -0.235 0.000 0.636 79 A CB -0.981 18.007 19.000 -0.020 0.000 0.810 79 A HN 0.140 8.168 8.150 -0.204 0.000 0.448 80 R N -2.075 117.863 120.500 -0.938 0.000 2.127 80 R HA -0.328 nan 4.340 nan 0.000 0.238 80 R C 2.535 178.523 176.300 -0.521 0.000 1.134 80 R CA 2.764 58.181 56.100 -1.138 0.000 0.975 80 R CB -0.349 29.323 30.300 -1.046 0.000 0.865 80 R HN 0.097 7.861 8.270 -0.786 0.034 0.447 81 Q N -2.234 117.360 119.800 -0.343 0.000 2.368 81 Q HA -0.270 nan 4.340 nan 0.000 0.210 81 Q C 1.173 177.070 176.000 -0.172 0.000 0.982 81 Q CA 2.726 58.402 55.803 -0.212 0.000 0.884 81 Q CB 0.060 28.707 28.738 -0.152 0.000 0.933 81 Q HN 0.030 7.954 8.270 -0.340 0.142 0.460 82 I N -5.588 114.868 120.570 -0.189 0.000 4.433 82 I HA 0.072 nan 4.170 nan 0.000 0.322 82 I C -2.071 173.962 176.117 -0.140 0.000 1.284 82 I CA -0.279 60.938 61.300 -0.138 0.000 1.269 82 I CB 2.251 40.186 38.000 -0.108 0.000 1.219 82 I HN -0.685 7.326 8.210 -0.242 0.054 0.436 83 V N -5.379 114.425 119.914 -0.184 0.000 3.083 83 V HA 0.096 nan 4.120 nan 0.000 0.306 83 V C -0.976 175.049 176.094 -0.115 0.000 1.077 83 V CA -2.603 59.612 62.300 -0.142 0.000 1.073 83 V CB 0.628 32.383 31.823 -0.113 0.000 1.081 83 V HN -0.956 7.077 8.190 -0.262 0.000 0.474 84 N N -0.178 118.450 118.700 -0.121 0.000 2.399 84 N HA -0.199 nan 4.740 nan 0.000 0.284 84 N C 1.198 176.684 175.510 -0.039 0.000 1.283 84 N CA 0.404 53.385 53.050 -0.114 0.000 0.972 84 N CB -0.343 38.014 38.487 -0.216 0.000 1.328 84 N HN 0.244 8.534 8.380 -0.150 0.000 0.486 85 E N 6.212 126.430 120.200 0.031 0.000 2.169 85 E HA -0.405 nan 4.350 nan 0.000 0.202 85 E C 1.757 178.499 176.600 0.237 0.000 1.016 85 E CA 2.956 59.447 56.400 0.152 0.000 0.817 85 E CB -1.425 28.367 29.700 0.152 0.000 0.736 85 E HN 0.223 8.585 8.360 0.002 0.000 0.462 86 G N -0.897 107.988 108.800 0.143 0.000 2.469 86 G HA2 -0.282 nan 3.960 nan 0.000 0.219 86 G HA3 -0.282 nan 3.960 nan 0.000 0.219 86 G C 1.520 176.570 174.900 0.250 0.000 1.150 86 G CA 1.754 46.957 45.100 0.172 0.000 0.763 86 G HN 0.333 8.653 8.290 0.078 0.016 0.561 87 M N 1.940 121.557 119.600 0.027 0.000 2.156 87 M HA -0.289 nan 4.480 nan 0.000 0.264 87 M C 0.980 177.384 176.300 0.174 0.000 1.067 87 M CA 3.255 58.530 55.300 -0.042 0.000 1.131 87 M CB 0.123 32.493 32.600 -0.383 0.000 1.368 87 M HN -0.080 8.046 8.290 -0.071 0.121 0.416 88 F N -0.099 119.878 119.950 0.044 0.000 2.069 88 F HA -0.426 nan 4.527 nan 0.000 0.298 88 F C 1.454 177.375 175.800 0.201 0.000 1.113 88 F CA 4.365 62.412 58.000 0.078 0.000 1.214 88 F CB -0.096 38.917 39.000 0.022 0.000 0.978 88 F HN -0.527 7.867 8.300 0.258 0.061 0.474 89 V N -0.494 119.634 119.914 0.358 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.029 177.392 176.094 0.448 0.000 1.059 89 V CA 4.178 66.726 62.300 0.414 0.000 1.051 89 V CB -0.906 31.268 31.823 0.585 0.000 0.658 89 V HN 0.459 8.922 8.190 0.456 0.000 0.455 90 Y N 0.577 121.096 120.300 0.365 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.262 177.285 175.900 0.206 0.000 1.146 90 Y CA 4.069 62.355 58.100 0.309 0.000 1.182 90 Y CB -0.356 38.242 38.460 0.230 0.000 0.983 90 Y HN -0.500 8.055 8.280 0.589 0.078 0.524 91 A N -1.197 121.766 122.820 0.237 0.000 1.874 91 A HA -0.288 nan 4.320 nan 0.000 0.214 91 A C 1.799 179.362 177.584 -0.035 0.000 1.189 91 A CA 3.064 55.170 52.037 0.115 0.000 0.615 91 A CB -0.488 18.489 19.000 -0.039 0.000 0.830 91 A HN 0.184 8.382 8.150 0.237 0.095 0.443 92 V N -4.268 115.553 119.914 -0.155 0.000 2.515 92 V HA -0.346 nan 4.120 nan 0.000 0.250 92 V C 1.928 178.079 176.094 0.096 0.000 1.058 92 V CA 3.808 66.067 62.300 -0.068 0.000 1.064 92 V CB -1.259 30.470 31.823 -0.156 0.000 0.675 92 V HN 0.424 8.462 8.190 -0.255 0.000 0.461 93 S N 0.056 115.826 115.700 0.118 0.000 2.414 93 S HA -0.149 nan 4.470 nan 0.000 0.227 93 S C 2.075 176.682 174.600 0.013 0.000 1.022 93 S CA 3.092 61.355 58.200 0.105 0.000 0.958 93 S CB -0.177 63.154 63.200 0.218 0.000 0.797 93 S HN 0.059 8.350 8.310 0.147 0.107 0.493 94 V N 2.065 121.979 119.914 -0.001 0.000 2.515 94 V HA -0.363 nan 4.120 nan 0.000 0.250 94 V C 1.525 177.754 176.094 0.226 0.000 1.058 94 V CA 3.585 65.950 62.300 0.109 0.000 1.064 94 V CB -1.031 30.860 31.823 0.114 0.000 0.675 94 V HN -0.273 7.905 8.190 -0.020 0.000 0.461 95 A N 0.042 122.901 122.820 0.064 0.000 1.855 95 A HA -0.197 nan 4.320 nan 0.000 0.215 95 A C 1.281 178.862 177.584 -0.004 0.000 1.191 95 A CA 3.829 55.860 52.037 -0.011 0.000 0.613 95 A CB -0.208 18.786 19.000 -0.011 0.000 0.829 95 A HN 0.197 8.364 8.150 0.028 0.000 0.442 96 V N -2.565 117.382 119.914 0.055 0.000 3.620 96 V HA -0.100 nan 4.120 nan 0.000 0.286 96 V C 0.811 176.884 176.094 -0.035 0.000 1.288 96 V CA 1.552 63.895 62.300 0.071 0.000 1.178 96 V CB -1.145 30.853 31.823 0.292 0.000 0.986 96 V HN -0.065 8.076 8.190 0.100 0.108 0.431 97 L N -1.149 119.969 121.223 -0.174 0.000 2.253 97 L HA -0.033 nan 4.340 nan 0.000 0.205 97 L C 0.352 176.977 176.870 -0.408 0.000 1.078 97 L CA 2.512 57.096 54.840 -0.427 0.000 0.805 97 L CB 1.285 42.839 42.059 -0.842 0.000 0.963 97 L HN -0.602 7.508 8.230 -0.139 0.037 0.459 98 H N -7.144 111.946 119.070 0.034 0.000 3.233 98 H HA 0.205 nan 4.556 nan 0.000 0.263 98 H C -0.606 174.818 175.328 0.161 0.000 1.168 98 H CA -0.729 55.373 56.048 0.090 0.000 1.159 98 H CB 1.503 31.373 29.762 0.179 0.000 1.593 98 H HN -0.159 7.983 8.280 -0.006 0.133 0.580 99 R N 0.509 121.114 120.500 0.174 0.000 2.295 99 R HA 0.307 nan 4.340 nan 0.000 0.324 99 R C 0.556 176.886 176.300 0.050 0.000 0.968 99 R CA -1.837 54.337 56.100 0.123 0.000 0.837 99 R CB 0.110 30.457 30.300 0.079 0.000 1.133 99 R HN -0.580 7.732 8.270 0.070 0.000 0.450 100 E N 3.316 123.563 120.200 0.078 0.000 2.533 100 E HA -0.216 nan 4.350 nan 0.000 0.201 100 E C -0.047 176.592 176.600 0.064 0.000 1.097 100 E CA 1.219 57.659 56.400 0.066 0.000 0.887 100 E CB -0.706 29.032 29.700 0.065 0.000 0.855 100 E HN 0.579 8.993 8.360 0.090 0.000 0.540 101 D N -2.869 117.592 120.400 0.102 0.000 2.336 101 D HA 0.027 nan 4.640 nan 0.000 0.228 101 D C 0.153 176.555 176.300 0.170 0.000 1.120 101 D CA 0.237 54.335 54.000 0.162 0.000 0.839 101 D CB -0.468 40.487 40.800 0.258 0.000 0.932 101 D HN -0.296 8.047 8.370 0.093 0.083 0.509 102 C N -2.651 116.692 119.300 0.072 0.000 3.657 102 C HA 0.096 nan 4.460 nan 0.000 0.291 102 C C -0.708 174.197 174.990 -0.141 0.000 1.572 102 C CA -1.247 57.759 59.018 -0.021 0.000 1.818 102 C CB 1.027 28.890 27.740 0.205 0.000 2.903 102 C HN -0.238 7.952 8.230 0.048 0.068 0.632 103 K N 1.325 121.654 120.400 -0.119 0.000 2.319 103 K HA -0.155 nan 4.320 nan 0.000 0.265 103 K C 0.999 177.518 176.600 -0.136 0.000 1.000 103 K CA 1.733 57.955 56.287 -0.108 0.000 0.943 103 K CB 0.300 32.752 32.500 -0.080 0.000 0.950 103 K HN -0.328 7.862 8.250 -0.100 0.000 0.485 104 G N 1.175 109.913 108.800 -0.102 0.000 2.155 104 G HA2 -0.385 nan 3.960 nan 0.000 0.257 104 G HA3 -0.385 nan 3.960 nan 0.000 0.257 104 G C -0.658 174.165 174.900 -0.128 0.000 0.983 104 G CA 0.114 45.156 45.100 -0.097 0.000 0.676 104 G HN 0.367 8.607 8.290 -0.083 0.000 0.528 105 I N 0.557 121.048 120.570 -0.132 0.000 2.532 105 I HA 0.031 nan 4.170 nan 0.000 0.292 105 I C -0.845 175.225 176.117 -0.078 0.000 1.014 105 I CA -0.498 60.735 61.300 -0.112 0.000 1.340 105 I CB 0.817 38.788 38.000 -0.048 0.000 1.422 105 I HN -0.649 7.422 8.210 -0.123 0.064 0.528 106 T N 7.077 121.573 114.554 -0.097 0.000 2.856 106 T HA 0.154 nan 4.350 nan 0.000 0.283 106 T C -0.630 173.982 174.700 -0.147 0.000 1.008 106 T CA -1.275 60.759 62.100 -0.110 0.000 0.997 106 T CB 1.913 70.702 68.868 -0.132 0.000 0.992 106 T HN 0.060 8.232 8.240 -0.114 0.000 0.454 107 V N 4.900 124.735 119.914 -0.131 0.000 2.508 107 V HA 0.076 nan 4.120 nan 0.000 0.281 107 V C -1.231 174.731 176.094 -0.220 0.000 1.041 107 V CA -2.644 59.575 62.300 -0.135 0.000 1.016 107 V CB -0.552 31.237 31.823 -0.057 0.000 0.984 107 V HN 0.524 8.644 8.190 -0.117 0.000 0.478 108 P HA 0.090 nan 4.420 nan 0.000 0.260 108 P C -2.639 174.635 177.300 -0.044 0.000 1.185 108 P CA -0.930 61.903 63.100 -0.446 0.000 0.763 108 P CB 0.157 31.179 31.700 -1.130 0.000 0.776 109 P HA -0.005 nan 4.420 nan 0.000 0.265 109 P C 0.929 178.307 177.300 0.129 0.000 1.222 109 P CA -0.116 63.051 63.100 0.112 0.000 0.767 109 P CB 0.363 32.107 31.700 0.075 0.000 0.801 110 I N -0.064 120.591 120.570 0.142 0.000 2.423 110 I HA -0.524 nan 4.170 nan 0.000 0.254 110 I C 0.956 177.088 176.117 0.025 0.000 1.151 110 I CA 3.475 64.837 61.300 0.103 0.000 1.421 110 I CB -0.236 37.715 38.000 -0.082 0.000 1.079 110 I HN 0.220 8.566 8.210 0.227 0.000 0.431 111 Q N -1.175 118.466 119.800 -0.266 0.000 2.172 111 Q HA -0.268 nan 4.340 nan 0.000 0.200 111 Q C 1.196 177.011 176.000 -0.309 0.000 0.964 111 Q CA 3.046 58.376 55.803 -0.787 0.000 0.855 111 Q CB -0.628 27.558 28.738 -0.920 0.000 0.918 111 Q HN 0.200 8.312 8.270 -0.161 0.061 0.444 112 E N -2.657 117.467 120.200 -0.128 0.000 2.216 112 E HA -0.037 nan 4.350 nan 0.000 0.192 112 E C 1.468 178.068 176.600 -0.000 0.000 0.973 112 E CA 1.515 57.884 56.400 -0.051 0.000 0.851 112 E CB 1.348 31.006 29.700 -0.069 0.000 0.804 112 E HN -0.426 7.749 8.360 -0.094 0.129 0.477 113 V N -5.469 114.471 119.914 0.044 0.000 2.788 113 V HA -0.076 nan 4.120 nan 0.000 0.251 113 V C 0.020 175.903 176.094 -0.350 0.000 1.068 113 V CA 1.954 64.209 62.300 -0.076 0.000 1.090 113 V CB 0.334 32.218 31.823 0.102 0.000 0.710 113 V HN -0.094 8.050 8.190 0.102 0.107 0.467 114 F N -1.475 118.548 119.950 0.122 0.000 2.660 114 F HA 0.586 nan 4.527 nan 0.000 0.352 114 F C -1.546 174.377 175.800 0.204 0.000 1.257 114 F CA -3.472 54.616 58.000 0.146 0.000 1.200 114 F CB 1.197 40.278 39.000 0.135 0.000 1.473 114 F HN -0.400 7.899 8.300 0.189 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.628 178.133 177.300 0.341 0.000 1.153 115 P CA 1.976 65.226 63.100 0.251 0.000 0.777 115 P CB 0.028 31.808 31.700 0.133 0.000 0.794 116 D N -1.507 119.084 120.400 0.319 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.327 176.763 176.300 0.226 0.000 0.992 116 D CA 2.675 56.832 54.000 0.262 0.000 0.833 116 D CB -1.799 39.165 40.800 0.274 0.000 0.954 116 D HN 0.434 8.951 8.370 0.354 0.065 0.455 117 R N -3.410 117.219 120.500 0.216 0.000 2.339 117 R HA -0.140 nan 4.340 nan 0.000 0.199 117 R C 0.609 176.738 176.300 -0.285 0.000 1.018 117 R CA 1.253 57.317 56.100 -0.061 0.000 1.036 117 R CB -0.547 29.664 30.300 -0.148 0.000 0.899 117 R HN -0.324 8.134 8.270 0.313 0.000 0.473 118 F N -2.796 117.154 119.950 -0.001 0.000 2.592 118 F HA 0.090 nan 4.527 nan 0.000 0.280 118 F C -0.534 175.254 175.800 -0.020 0.000 1.083 118 F CA 2.450 60.428 58.000 -0.036 0.000 1.365 118 F CB 2.268 41.237 39.000 -0.052 0.000 1.100 118 F HN -0.357 7.951 8.300 0.342 0.198 0.633 119 V N -6.160 113.874 119.914 0.200 0.000 3.096 119 V HA 0.530 nan 4.120 nan 0.000 0.319 119 V C -2.513 173.658 176.094 0.128 0.000 1.103 119 V CA -4.049 58.338 62.300 0.146 0.000 1.016 119 V CB -0.195 31.715 31.823 0.146 0.000 1.090 119 V HN -0.561 7.767 8.190 0.230 0.000 0.449 120 P HA -0.035 nan 4.420 nan 0.000 0.267 120 P C -0.535 176.833 177.300 0.114 0.000 1.209 120 P CA 0.013 63.181 63.100 0.114 0.000 0.763 120 P CB -0.108 31.640 31.700 0.080 0.000 0.816 121 A N 6.856 129.750 122.820 0.122 0.000 1.954 121 A HA -0.476 nan 4.320 nan 0.000 0.222 121 A C 1.845 179.484 177.584 0.091 0.000 1.199 121 A CA 3.571 55.674 52.037 0.110 0.000 0.657 121 A CB -0.542 18.522 19.000 0.108 0.000 0.823 121 A HN 0.875 9.000 8.150 0.138 0.107 0.463 122 E N -3.130 117.120 120.200 0.084 0.000 2.038 122 E HA -0.365 nan 4.350 nan 0.000 0.195 122 E C 2.127 178.769 176.600 0.070 0.000 1.000 122 E CA 3.330 59.771 56.400 0.068 0.000 0.803 122 E CB -0.324 29.410 29.700 0.056 0.000 0.750 122 E HN 0.246 8.650 8.360 0.093 0.012 0.448 123 T N 0.768 115.370 114.554 0.079 0.000 3.085 123 T HA -0.050 nan 4.350 nan 0.000 0.263 123 T C 2.457 177.209 174.700 0.087 0.000 1.127 123 T CA 2.600 64.750 62.100 0.083 0.000 1.103 123 T CB -0.766 68.158 68.868 0.094 0.000 0.921 123 T HN -0.413 7.784 8.240 0.084 0.093 0.510 124 I N 2.768 123.393 120.570 0.092 0.000 2.193 124 I HA -0.506 nan 4.170 nan 0.000 0.240 124 I C 0.931 177.094 176.117 0.078 0.000 1.084 124 I CA 4.054 65.409 61.300 0.092 0.000 1.365 124 I CB -0.272 37.789 38.000 0.103 0.000 1.064 124 I HN -0.321 7.917 8.210 0.095 0.028 0.410 125 N N -0.389 118.354 118.700 0.071 0.000 2.149 125 N HA -0.370 nan 4.740 nan 0.000 0.188 125 N C 2.553 178.096 175.510 0.056 0.000 1.019 125 N CA 3.842 56.928 53.050 0.059 0.000 0.857 125 N CB 0.163 38.682 38.487 0.055 0.000 0.997 125 N HN -0.109 8.317 8.380 0.076 0.000 0.426 126 R N -1.325 119.211 120.500 0.060 0.000 2.057 126 R HA -0.243 nan 4.340 nan 0.000 0.229 126 R C 1.749 178.087 176.300 0.064 0.000 1.136 126 R CA 3.246 59.381 56.100 0.059 0.000 0.952 126 R CB -0.154 30.182 30.300 0.059 0.000 0.848 126 R HN 0.369 8.561 8.270 0.064 0.117 0.430 127 A N -0.930 121.931 122.820 0.068 0.000 1.883 127 A HA -0.328 nan 4.320 nan 0.000 0.217 127 A C 2.227 179.856 177.584 0.075 0.000 1.186 127 A CA 3.097 55.177 52.037 0.071 0.000 0.624 127 A CB -0.937 18.109 19.000 0.075 0.000 0.822 127 A HN -0.567 7.626 8.150 0.070 0.000 0.444 128 N N -1.775 116.967 118.700 0.070 0.000 2.021 128 N HA -0.394 nan 4.740 nan 0.000 0.198 128 N C 2.225 177.768 175.510 0.054 0.000 1.041 128 N CA 3.067 56.154 53.050 0.061 0.000 0.862 128 N CB -0.580 37.938 38.487 0.051 0.000 1.048 128 N HN -0.226 8.197 8.380 0.072 0.000 0.427 129 K N 0.102 120.532 120.400 0.050 0.000 2.209 129 K HA -0.298 nan 4.320 nan 0.000 0.204 129 K C 2.685 179.317 176.600 0.054 0.000 1.048 129 K CA 2.945 59.258 56.287 0.042 0.000 0.940 129 K CB 0.000 32.522 32.500 0.036 0.000 0.729 129 K HN 0.041 8.143 8.250 0.052 0.179 0.451 130 E N -0.594 119.653 120.200 0.079 0.000 2.152 130 E HA -0.282 nan 4.350 nan 0.000 0.192 130 E C 1.992 178.674 176.600 0.138 0.000 0.983 130 E CA 2.746 59.222 56.400 0.127 0.000 0.818 130 E CB -0.155 29.622 29.700 0.129 0.000 0.758 130 E HN 0.088 8.364 8.360 0.075 0.130 0.467 131 A N -0.913 121.967 122.820 0.100 0.000 1.933 131 A HA -0.195 nan 4.320 nan 0.000 0.218 131 A C 1.536 179.160 177.584 0.067 0.000 1.175 131 A CA 3.027 55.120 52.037 0.094 0.000 0.628 131 A CB -0.535 18.521 19.000 0.092 0.000 0.814 131 A HN -0.272 7.932 8.150 0.089 0.000 0.444 132 S N -2.611 113.114 115.700 0.043 0.000 2.453 132 S HA -0.150 nan 4.470 nan 0.000 0.231 132 S C 1.338 175.928 174.600 -0.015 0.000 1.005 132 S CA 2.083 60.291 58.200 0.014 0.000 0.949 132 S CB 0.291 63.494 63.200 0.005 0.000 0.774 132 S HN -0.368 7.970 8.310 0.045 0.000 0.510 133 N N -0.181 118.507 118.700 -0.021 0.000 2.333 133 N HA -0.086 nan 4.740 nan 0.000 0.178 133 N C 0.089 175.385 175.510 -0.357 0.000 1.018 133 N CA 1.413 54.364 53.050 -0.164 0.000 0.882 133 N CB 0.999 39.392 38.487 -0.157 0.000 0.984 133 N HN -0.389 7.849 8.380 0.031 0.160 0.434 134 H N -1.362 117.718 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.335 173.003 175.328 0.018 0.000 1.198 134 H CA -2.666 53.390 56.048 0.015 0.000 1.489 134 H CB 0.460 30.230 29.762 0.014 0.000 1.519 134 H HN -0.155 8.202 8.280 0.128 0.000 0.503 135 P HA -0.059 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.823 177.300 0.069 0.000 1.635 135 P CA 0.469 63.609 63.100 0.066 0.000 1.199 135 P CB -0.524 31.198 31.700 0.036 0.000 1.850 136 D N 1.816 122.263 120.400 0.078 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.691 175.636 176.300 0.045 0.000 1.176 136 D CA -1.193 52.840 54.000 0.056 0.000 0.914 136 D CB 2.621 43.455 40.800 0.055 0.000 1.431 136 D HN -0.519 7.884 8.370 0.092 0.021 0.454 137 Q N -1.133 118.682 119.800 0.025 0.000 2.451 137 Q HA -0.090 nan 4.340 nan 0.000 0.206 137 Q C 0.044 176.034 176.000 -0.017 0.000 0.947 137 Q CA 0.303 56.110 55.803 0.007 0.000 0.937 137 Q CB 0.416 29.154 28.738 -0.000 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.022 0.000 0.511 138 Q N 0.583 120.374 119.800 -0.015 0.000 2.286 138 Q HA -0.170 nan 4.340 nan 0.000 0.290 138 Q C -0.709 175.271 176.000 -0.034 0.000 1.049 138 Q CA 0.871 56.654 55.803 -0.032 0.000 0.923 138 Q CB 0.402 29.112 28.738 -0.046 0.000 1.183 138 Q HN -0.654 7.834 8.270 -0.004 -0.220 0.383 139 S N 3.727 119.399 115.700 -0.046 0.000 2.576 139 S HA 0.174 nan 4.470 nan 0.000 0.272 139 S C -0.878 173.704 174.600 -0.030 0.000 1.352 139 S CA 1.043 59.216 58.200 -0.045 0.000 1.021 139 S CB 0.518 63.688 63.200 -0.049 0.000 0.887 139 S HN 0.206 8.487 8.310 -0.049 0.000 0.542 140 I N 0.540 121.102 120.570 -0.014 0.000 2.545 140 I HA 0.272 nan 4.170 nan 0.000 0.292 140 I C -2.248 173.871 176.117 0.003 0.000 1.040 140 I CA -0.613 60.687 61.300 -0.001 0.000 1.068 140 I CB 3.435 41.451 38.000 0.027 0.000 1.251 140 I HN 0.538 8.740 8.210 -0.013 0.000 0.424 141 V N 6.432 126.347 119.914 0.001 0.000 2.577 141 V HA 0.603 nan 4.120 nan 0.000 0.303 141 V C -1.830 174.274 176.094 0.016 0.000 1.042 141 V CA -1.684 60.618 62.300 0.003 0.000 0.872 141 V CB 2.092 33.907 31.823 -0.015 0.000 0.998 141 V HN 0.152 8.341 8.190 -0.002 0.000 0.423 142 V N 7.843 127.775 119.914 0.030 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.740 174.384 176.094 0.049 0.000 1.043 142 V CA -1.626 60.700 62.300 0.044 0.000 0.888 142 V CB 3.391 35.249 31.823 0.058 0.000 0.995 142 V HN 0.778 8.987 8.190 0.032 0.000 0.429 143 E N 5.706 125.940 120.200 0.057 0.000 2.105 143 E HA 0.151 nan 4.350 nan 0.000 0.285 143 E C 0.353 177.021 176.600 0.113 0.000 1.055 143 E CA -0.890 55.559 56.400 0.082 0.000 0.843 143 E CB 0.630 30.392 29.700 0.104 0.000 1.067 143 E HN 0.456 8.849 8.360 0.055 0.000 0.398 144 A N 8.195 131.095 122.820 0.133 0.000 2.019 144 A HA -0.242 nan 4.320 nan 0.000 0.219 144 A C 0.861 178.547 177.584 0.169 0.000 1.164 144 A CA 2.606 54.737 52.037 0.156 0.000 0.644 144 A CB -0.497 18.624 19.000 0.202 0.000 0.805 144 A HN 0.848 8.959 8.150 0.112 0.106 0.449 145 E N -2.018 118.316 120.200 0.224 0.000 2.164 145 E HA -0.352 nan 4.350 nan 0.000 0.206 145 E C -0.090 176.586 176.600 0.128 0.000 1.032 145 E CA 1.863 58.388 56.400 0.207 0.000 0.832 145 E CB 0.044 29.850 29.700 0.176 0.000 0.742 145 E HN 0.154 8.627 8.360 0.264 0.045 0.460 146 E N -4.848 115.401 120.200 0.083 0.000 8.880 146 E HA -0.254 nan 4.350 nan 0.000 0.183 146 E C -1.252 175.358 176.600 0.017 0.000 1.450 146 E CA 0.663 57.081 56.400 0.031 0.000 2.521 146 E CB 0.232 29.923 29.700 -0.014 0.000 1.229 146 E HN -0.362 8.018 8.360 0.092 0.035 0.443 147 T N 0.134 114.679 114.554 -0.015 0.000 3.172 147 T HA 0.612 nan 4.350 nan 0.000 0.320 147 T C -1.175 173.496 174.700 -0.048 0.000 1.085 147 T CA 0.157 62.245 62.100 -0.020 0.000 1.052 147 T CB 1.890 70.755 68.868 -0.003 0.000 1.107 147 T HN 0.467 8.690 8.240 -0.028 0.000 0.458 148 G N 2.209 110.968 108.800 -0.069 0.000 2.547 148 G HA2 -0.015 nan 3.960 nan 0.000 0.291 148 G HA3 -0.015 nan 3.960 nan 0.000 0.291 148 G C -2.104 172.744 174.900 -0.087 0.000 1.471 148 G CA -0.062 44.986 45.100 -0.086 0.000 0.798 148 G HN -0.228 8.025 8.290 -0.061 0.000 0.504 149 N N 0.631 119.292 118.700 -0.065 0.000 2.406 149 N HA 0.030 nan 4.740 nan 0.000 0.265 149 N C 0.218 175.690 175.510 -0.064 0.000 1.203 149 N CA -0.669 52.354 53.050 -0.046 0.000 0.945 149 N CB 0.041 38.514 38.487 -0.024 0.000 1.165 149 N HN 0.057 8.404 8.380 -0.055 0.000 0.485 150 I N 6.853 127.391 120.570 -0.053 0.000 2.472 150 I HA -0.141 nan 4.170 nan 0.000 0.305 150 I C 0.247 176.374 176.117 0.017 0.000 1.196 150 I CA 0.440 61.721 61.300 -0.032 0.000 1.613 150 I CB -1.309 36.722 38.000 0.052 0.000 1.501 150 I HN 0.345 8.533 8.210 -0.037 0.000 0.754 151 L N 6.418 127.647 121.223 0.011 0.000 2.072 151 L HA -0.183 nan 4.340 nan 0.000 0.205 151 L C 0.756 177.659 176.870 0.055 0.000 1.079 151 L CA 1.429 56.287 54.840 0.030 0.000 0.752 151 L CB -0.451 41.623 42.059 0.025 0.000 0.906 151 L HN -0.092 8.087 8.230 -0.011 0.044 0.436 152 D N -0.975 119.470 120.400 0.075 0.000 2.351 152 D HA 0.176 nan 4.640 nan 0.000 0.251 152 D C -0.639 175.743 176.300 0.137 0.000 1.137 152 D CA -1.918 52.148 54.000 0.110 0.000 0.879 152 D CB 1.092 41.977 40.800 0.142 0.000 1.181 152 D HN -0.434 7.971 8.370 0.058 0.000 0.448 153 P HA -0.159 nan 4.420 nan 0.000 0.216 153 P C 0.887 178.254 177.300 0.111 0.000 1.153 153 P CA 1.754 64.911 63.100 0.095 0.000 0.848 153 P CB 0.459 32.196 31.700 0.061 0.000 0.787 154 E N -2.207 118.072 120.200 0.131 0.000 2.204 154 E HA -0.247 nan 4.350 nan 0.000 0.194 154 E C 2.009 178.695 176.600 0.143 0.000 0.989 154 E CA 2.002 58.475 56.400 0.121 0.000 0.824 154 E CB -0.469 29.316 29.700 0.142 0.000 0.756 154 E HN -0.444 8.388 8.360 0.142 -0.387 0.477 155 Y N 0.697 121.058 120.300 0.101 0.000 2.283 155 Y HA -0.411 nan 4.550 nan 0.000 0.285 155 Y C 1.820 177.769 175.900 0.082 0.000 1.176 155 Y CA 2.716 60.881 58.100 0.108 0.000 1.229 155 Y CB -0.144 38.377 38.460 0.102 0.000 0.975 155 Y HN -0.273 8.457 8.280 0.329 -0.253 0.537 156 K N -1.143 119.198 120.400 -0.099 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.996 178.498 176.600 -0.164 0.000 1.052 156 K CA 2.959 59.182 56.287 -0.106 0.000 0.937 156 K CB -0.570 31.941 32.500 0.019 0.000 0.719 156 K HN -0.497 7.770 8.250 0.068 0.023 0.446 157 L N -3.315 117.764 121.223 -0.240 0.000 2.633 157 L HA -0.124 nan 4.340 nan 0.000 0.235 157 L C 0.932 177.497 176.870 -0.508 0.000 1.163 157 L CA 0.997 55.498 54.840 -0.564 0.000 0.859 157 L CB -1.052 40.843 42.059 -0.274 0.000 0.973 157 L HN -0.184 7.876 8.230 -0.121 0.098 0.451 158 S N 0.255 115.779 115.700 -0.293 0.000 2.603 158 S HA -0.219 nan 4.470 nan 0.000 0.229 158 S C 1.103 175.659 174.600 -0.073 0.000 0.972 158 S CA 2.023 60.140 58.200 -0.138 0.000 0.935 158 S CB -0.308 62.833 63.200 -0.098 0.000 0.769 158 S HN -0.609 7.335 8.310 -0.275 0.201 0.536 159 Y N -1.168 119.152 120.300 0.033 0.000 2.181 159 Y HA -0.293 nan 4.550 nan 0.000 0.288 159 Y C 0.279 176.309 175.900 0.215 0.000 1.146 159 Y CA 1.665 59.836 58.100 0.119 0.000 1.164 159 Y CB -0.828 37.679 38.460 0.080 0.000 0.982 159 Y HN -0.468 7.640 8.280 -0.241 0.028 0.515 160 F N 0.257 120.104 119.950 -0.172 0.000 2.222 160 F HA 0.058 nan 4.527 nan 0.000 0.285 160 F C 1.778 177.568 175.800 -0.016 0.000 1.068 160 F CA 1.120 59.122 58.000 0.003 0.000 1.265 160 F CB 1.715 40.675 39.000 -0.067 0.000 1.087 160 F HN -0.622 7.296 8.300 -0.387 0.150 0.511 161 R N -0.983 119.485 120.500 -0.054 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.582 176.744 176.300 -0.229 0.000 1.136 161 R CA 3.075 59.083 56.100 -0.154 0.000 0.959 161 R CB 0.049 30.350 30.300 0.002 0.000 0.856 161 R HN -0.525 7.790 8.270 0.074 0.000 0.437 162 E N -4.542 115.587 120.200 -0.119 0.000 2.444 162 E HA 0.028 nan 4.350 nan 0.000 0.191 162 E C -1.424 175.139 176.600 -0.061 0.000 1.041 162 E CA -0.717 55.635 56.400 -0.080 0.000 0.883 162 E CB -0.236 29.476 29.700 0.020 0.000 1.024 162 E HN -0.207 8.083 8.360 -0.067 0.030 0.470 163 D N 0.049 120.394 120.400 -0.092 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.665 176.957 176.300 -0.014 0.000 1.115 163 D CA -0.238 53.739 54.000 -0.038 0.000 0.917 163 D CB 1.431 42.214 40.800 -0.027 0.000 1.192 163 D HN -0.901 7.268 8.370 -0.183 0.092 0.428 164 I N 3.682 124.239 120.570 -0.022 0.000 2.142 164 I HA -0.278 nan 4.170 nan 0.000 0.240 164 I C 1.072 177.237 176.117 0.081 0.000 1.078 164 I CA 3.662 64.978 61.300 0.027 0.000 1.343 164 I CB 0.249 38.106 38.000 -0.239 0.000 1.046 164 I HN 0.418 8.580 8.210 -0.080 0.000 0.405 165 G N -2.979 105.825 108.800 0.006 0.000 2.403 165 G HA2 -0.216 nan 3.960 nan 0.000 0.216 165 G HA3 -0.216 nan 3.960 nan 0.000 0.216 165 G C 1.433 176.268 174.900 -0.108 0.000 1.154 165 G CA 1.694 46.783 45.100 -0.019 0.000 0.784 165 G HN -0.174 8.122 8.290 0.011 0.000 0.538 166 I N 2.927 123.333 120.570 -0.274 0.000 2.069 166 I HA -0.550 nan 4.170 nan 0.000 0.237 166 I C 1.651 177.700 176.117 -0.114 0.000 1.053 166 I CA 3.050 64.111 61.300 -0.400 0.000 1.311 166 I CB -0.805 36.874 38.000 -0.535 0.000 1.030 166 I HN -0.870 7.354 8.210 -0.272 -0.177 0.398 167 N N -1.130 117.549 118.700 -0.036 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.316 177.944 175.510 0.197 0.000 1.016 167 N CA 3.025 56.074 53.050 -0.002 0.000 0.866 167 N CB -0.212 38.140 38.487 -0.224 0.000 0.980 167 N HN -0.071 8.295 8.380 -0.022 0.000 0.430 168 A N 0.425 123.425 122.820 0.299 0.000 1.858 168 A HA -0.279 nan 4.320 nan 0.000 0.216 168 A C 1.589 179.188 177.584 0.024 0.000 1.190 168 A CA 3.191 55.303 52.037 0.126 0.000 0.617 168 A CB -0.789 18.270 19.000 0.100 0.000 0.827 168 A HN 0.119 8.473 8.150 0.340 0.000 0.443 169 H N 0.149 119.303 119.070 0.140 0.000 2.357 169 H HA -0.459 nan 4.556 nan 0.000 0.296 169 H C 1.986 177.529 175.328 0.357 0.000 1.108 169 H CA 4.048 60.256 56.048 0.266 0.000 1.273 169 H CB 0.000 29.890 29.762 0.213 0.000 1.367 169 H HN -0.201 8.222 8.280 0.239 0.000 0.498 170 H N -1.133 118.060 119.070 0.205 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.794 178.352 175.328 0.384 0.000 1.087 170 H CA 3.796 60.007 56.048 0.272 0.000 1.291 170 H CB 0.251 30.137 29.762 0.206 0.000 1.369 170 H HN -0.554 7.944 8.280 0.392 0.017 0.492 171 W N 0.643 122.069 121.300 0.210 0.000 2.332 171 W HA -0.429 nan 4.660 nan 0.000 0.321 171 W C 1.723 178.389 176.519 0.244 0.000 1.219 171 W CA 3.997 61.475 57.345 0.222 0.000 1.277 171 W CB -0.289 29.256 29.460 0.142 0.000 1.161 171 W HN -0.449 8.028 8.180 0.495 0.000 0.476 172 H N -2.446 116.915 119.070 0.484 0.000 2.394 172 H HA -0.433 nan 4.556 nan 0.000 0.297 172 H C 2.307 177.677 175.328 0.069 0.000 1.113 172 H CA 3.224 59.417 56.048 0.241 0.000 1.277 172 H CB -0.873 29.007 29.762 0.197 0.000 1.370 172 H HN -0.028 8.291 8.280 0.065 0.000 0.506 173 W N -0.245 121.043 121.300 -0.020 0.000 2.358 173 W HA -0.380 nan 4.660 nan 0.000 0.303 173 W C 1.873 178.425 176.519 0.056 0.000 1.208 173 W CA 4.822 62.146 57.345 -0.036 0.000 1.274 173 W CB 0.043 29.421 29.460 -0.136 0.000 1.138 173 W HN 0.638 8.936 8.180 0.196 0.000 0.515 174 H N -3.465 115.804 119.070 0.332 0.000 2.539 174 H HA -0.056 nan 4.556 nan 0.000 0.267 174 H C 1.197 176.475 175.328 -0.085 0.000 0.982 174 H CA 2.561 58.734 56.048 0.207 0.000 1.146 174 H CB 0.244 30.193 29.762 0.312 0.000 1.382 174 H HN -0.673 7.877 8.280 0.451 0.000 0.577 175 I N -1.163 119.368 120.570 -0.065 0.000 2.584 175 I HA -0.190 nan 4.170 nan 0.000 0.255 175 I C 1.424 177.441 176.117 -0.166 0.000 1.145 175 I CA 1.204 62.373 61.300 -0.219 0.000 1.462 175 I CB 0.708 38.631 38.000 -0.128 0.000 1.102 175 I HN -0.301 7.836 8.210 0.032 0.093 0.433 176 V N -5.401 114.360 119.914 -0.255 0.000 2.591 176 V HA -0.103 nan 4.120 nan 0.000 0.249 176 V C 0.449 176.065 176.094 -0.798 0.000 1.053 176 V CA 1.878 63.892 62.300 -0.477 0.000 1.068 176 V CB -0.248 31.193 31.823 -0.636 0.000 0.689 176 V HN -0.351 7.718 8.190 -0.201 0.000 0.462 177 Y N -1.545 118.528 120.300 -0.379 0.000 2.919 177 Y HA 0.555 nan 4.550 nan 0.000 0.341 177 Y C -2.592 173.272 175.900 -0.059 0.000 1.045 177 Y CA -3.608 54.276 58.100 -0.359 0.000 1.218 177 Y CB -0.663 37.441 38.460 -0.593 0.000 1.137 177 Y HN -0.014 7.866 8.280 -0.481 0.111 0.577 178 P HA 0.106 nan 4.420 nan 0.000 0.276 178 P C -0.038 177.355 177.300 0.155 0.000 1.230 178 P CA -0.280 62.896 63.100 0.127 0.000 0.776 178 P CB 0.765 32.479 31.700 0.024 0.000 0.888 179 A N 4.603 127.507 122.820 0.140 0.000 1.940 179 A HA -0.287 nan 4.320 nan 0.000 0.219 179 A C 0.706 178.325 177.584 0.059 0.000 1.176 179 A CA 3.233 55.320 52.037 0.083 0.000 0.631 179 A CB -0.456 18.575 19.000 0.052 0.000 0.814 179 A HN 0.646 8.891 8.150 0.158 0.000 0.446 180 T N -5.707 108.859 114.554 0.019 0.000 3.252 180 T HA -0.090 nan 4.350 nan 0.000 0.250 180 T C 0.612 175.237 174.700 -0.125 0.000 1.123 180 T CA -1.198 60.867 62.100 -0.058 0.000 1.006 180 T CB -1.410 67.378 68.868 -0.133 0.000 0.992 180 T HN -0.166 8.087 8.240 0.021 0.000 0.547 181 W N 4.238 125.423 121.300 -0.192 0.000 2.771 181 W HA -0.226 nan 4.660 nan 0.000 0.407 181 W C -1.791 174.634 176.519 -0.156 0.000 1.221 181 W CA -0.108 57.114 57.345 -0.205 0.000 1.539 181 W CB -0.872 28.477 29.460 -0.186 0.000 1.647 181 W HN -0.276 7.816 8.180 0.166 0.187 0.469 182 N N 8.052 126.462 118.700 -0.483 0.000 2.431 182 N HA -0.004 nan 4.740 nan 0.000 0.265 182 N C -1.107 174.019 175.510 -0.640 0.000 1.184 182 N CA -1.440 51.364 53.050 -0.411 0.000 0.943 182 N CB 0.962 39.247 38.487 -0.337 0.000 1.080 182 N HN -0.385 7.673 8.380 -0.477 0.036 0.477 183 P HA -0.103 nan 4.420 nan 0.000 0.226 183 P C -0.644 176.548 177.300 -0.181 0.000 1.153 183 P CA 1.686 64.702 63.100 -0.139 0.000 0.777 183 P CB 0.337 32.068 31.700 0.051 0.000 0.794 184 T N -6.248 108.181 114.554 -0.208 0.000 2.980 184 T HA 0.047 nan 4.350 nan 0.000 0.239 184 T C 2.727 177.323 174.700 -0.173 0.000 1.011 184 T CA 2.219 64.236 62.100 -0.139 0.000 1.171 184 T CB 0.477 69.287 68.868 -0.096 0.000 0.873 184 T HN -0.082 8.246 8.240 -0.257 -0.242 0.431 185 V N 3.023 122.802 119.914 -0.226 0.000 2.515 185 V HA -0.223 nan 4.120 nan 0.000 0.250 185 V C 1.687 177.576 176.094 -0.342 0.000 1.058 185 V CA 3.301 65.465 62.300 -0.227 0.000 1.064 185 V CB -0.558 31.141 31.823 -0.207 0.000 0.675 185 V HN 0.284 8.693 8.190 -0.233 -0.359 0.461 186 M N -3.271 115.987 119.600 -0.571 0.000 2.628 186 M HA 0.065 nan 4.480 nan 0.000 0.232 186 M C 0.828 176.948 176.300 -0.299 0.000 1.128 186 M CA -1.270 53.603 55.300 -0.711 0.000 1.040 186 M CB -0.831 30.864 32.600 -1.509 0.000 1.608 186 M HN -0.424 7.485 8.290 -0.636 0.000 0.507 187 G N -0.798 107.895 108.800 -0.179 0.000 2.228 187 G HA2 -0.366 nan 3.960 nan 0.000 0.270 187 G HA3 -0.366 nan 3.960 nan 0.000 0.270 187 G C -1.125 173.780 174.900 0.008 0.000 0.976 187 G CA 1.131 46.195 45.100 -0.059 0.000 0.636 187 G HN -0.060 7.894 8.290 -0.214 0.208 0.542 188 K N -3.873 116.566 120.400 0.065 0.000 2.614 188 K HA 0.282 nan 4.320 nan 0.000 0.293 188 K C -2.529 174.255 176.600 0.306 0.000 1.045 188 K CA -1.308 55.064 56.287 0.141 0.000 0.880 188 K CB 2.095 34.670 32.500 0.125 0.000 1.552 188 K HN -0.854 7.318 8.250 0.039 0.101 0.404 189 E N -0.908 119.420 120.200 0.213 0.000 2.440 189 E HA 0.256 nan 4.350 nan 0.000 0.263 189 E C -1.105 175.490 176.600 -0.008 0.000 0.938 189 E CA -1.851 54.682 56.400 0.221 0.000 0.831 189 E CB 2.471 32.259 29.700 0.146 0.000 1.456 189 E HN 0.147 8.578 8.360 0.119 0.000 0.427 190 K N 0.289 120.665 120.400 -0.040 0.000 2.527 190 K HA 0.296 nan 4.320 nan 0.000 0.240 190 K C -1.034 175.575 176.600 0.015 0.000 0.989 190 K CA -1.492 54.730 56.287 -0.108 0.000 0.985 190 K CB 0.591 32.938 32.500 -0.254 0.000 1.221 190 K HN 0.325 8.609 8.250 0.056 0.000 0.458 191 D N 5.664 126.087 120.400 0.038 0.000 2.479 191 D HA -0.221 nan 4.640 nan 0.000 0.257 191 D C -0.286 176.030 176.300 0.027 0.000 1.230 191 D CA 1.562 55.592 54.000 0.050 0.000 0.912 191 D CB 0.145 40.982 40.800 0.062 0.000 1.130 191 D HN 0.420 8.800 8.370 0.017 0.000 0.515 192 R N -0.246 120.265 120.500 0.018 0.000 3.641 192 R HA -0.527 nan 4.340 nan 0.000 0.286 192 R C 0.522 176.793 176.300 -0.049 0.000 1.153 192 R CA 1.194 57.297 56.100 0.005 0.000 0.775 192 R CB -2.096 28.215 30.300 0.018 0.000 1.215 192 R HN 0.689 8.980 8.270 0.035 0.000 0.474 193 K N -1.050 119.288 120.400 -0.104 0.000 2.152 193 K HA -0.278 nan 4.320 nan 0.000 0.206 193 K C 1.832 178.450 176.600 0.031 0.000 1.048 193 K CA 2.797 58.948 56.287 -0.226 0.000 0.933 193 K CB -0.579 31.800 32.500 -0.202 0.000 0.721 193 K HN -0.464 7.755 8.250 -0.051 0.000 0.447 194 G N -1.105 107.756 108.800 0.102 0.000 2.434 194 G HA2 -0.262 nan 3.960 nan 0.000 0.214 194 G HA3 -0.262 nan 3.960 nan 0.000 0.214 194 G C 0.340 175.411 174.900 0.286 0.000 1.202 194 G CA 1.678 46.919 45.100 0.235 0.000 0.788 194 G HN 0.198 8.824 8.290 0.069 -0.295 0.539 195 E N 2.380 122.682 120.200 0.170 0.000 2.058 195 E HA -0.287 nan 4.350 nan 0.000 0.194 195 E C 1.974 178.644 176.600 0.116 0.000 0.997 195 E CA 2.576 59.054 56.400 0.131 0.000 0.801 195 E CB -0.168 29.582 29.700 0.084 0.000 0.746 195 E HN -0.850 7.767 8.360 0.137 -0.174 0.450 196 L N -0.995 120.294 121.223 0.110 0.000 2.131 196 L HA -0.314 nan 4.340 nan 0.000 0.210 196 L C 1.155 178.188 176.870 0.271 0.000 1.092 196 L CA 2.774 57.722 54.840 0.180 0.000 0.759 196 L CB -0.514 41.631 42.059 0.144 0.000 0.903 196 L HN 0.069 8.349 8.230 0.083 0.000 0.435 197 F N 0.699 120.733 119.950 0.140 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.299 176.995 175.800 -0.173 0.000 1.087 197 F CA 3.231 61.201 58.000 -0.051 0.000 1.340 197 F CB -0.061 38.968 39.000 0.047 0.000 1.031 197 F HN -0.482 7.938 8.300 0.391 0.114 0.500 198 F N 1.469 121.009 119.950 -0.684 0.000 2.026 198 F HA -0.492 nan 4.527 nan 0.000 0.296 198 F C 0.616 176.135 175.800 -0.469 0.000 1.133 198 F CA 3.006 60.385 58.000 -1.036 0.000 1.188 198 F CB -0.709 37.450 39.000 -1.401 0.000 0.968 198 F HN 0.044 8.193 8.300 -0.131 0.072 0.476 199 Y N -0.050 119.724 120.300 -0.876 0.000 2.049 199 Y HA -0.558 nan 4.550 nan 0.000 0.277 199 Y C 1.724 177.243 175.900 -0.636 0.000 1.143 199 Y CA 3.552 61.084 58.100 -0.945 0.000 1.115 199 Y CB -0.081 38.065 38.460 -0.523 0.000 0.975 199 Y HN -0.121 8.015 8.280 -0.239 0.000 0.487 200 M N -2.063 117.215 119.600 -0.537 0.000 2.143 200 M HA -0.527 nan 4.480 nan 0.000 0.258 200 M C 1.834 177.660 176.300 -0.791 0.000 1.071 200 M CA 3.048 57.911 55.300 -0.728 0.000 1.088 200 M CB -0.433 31.706 32.600 -0.769 0.000 1.360 200 M HN 0.077 8.240 8.290 -0.212 0.000 0.404 201 H N -2.053 116.664 119.070 -0.589 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.446 177.617 175.328 -0.263 0.000 1.059 201 H CA 3.960 59.811 56.048 -0.328 0.000 1.363 201 H CB -0.436 29.120 29.762 -0.344 0.000 1.410 201 H HN -0.458 7.449 8.280 -0.397 0.135 0.528 202 Q N -0.097 119.498 119.800 -0.341 0.000 2.020 202 Q HA -0.403 nan 4.340 nan 0.000 0.202 202 Q C 2.331 178.126 176.000 -0.341 0.000 0.982 202 Q CA 3.459 59.087 55.803 -0.293 0.000 0.838 202 Q CB -0.166 28.313 28.738 -0.432 0.000 0.899 202 Q HN -0.004 7.965 8.270 -0.501 0.000 0.423 203 Q N -1.150 118.248 119.800 -0.670 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.701 178.380 176.000 -0.535 0.000 0.987 203 Q CA 2.783 58.136 55.803 -0.749 0.000 0.858 203 Q CB -0.432 27.463 28.738 -1.405 0.000 0.905 203 Q HN 0.220 7.931 8.270 -0.933 0.000 0.420 204 M N -0.268 119.091 119.600 -0.402 0.000 2.082 204 M HA -0.434 nan 4.480 nan 0.000 0.258 204 M C 2.070 178.556 176.300 0.309 0.000 1.071 204 M CA 4.521 59.865 55.300 0.073 0.000 1.103 204 M CB -0.016 32.741 32.600 0.262 0.000 1.307 204 M HN 0.057 8.036 8.290 -0.518 0.000 0.409 205 C N -2.536 116.917 119.300 0.255 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.085 177.209 174.990 0.224 0.000 1.447 205 C CA 2.430 61.662 59.018 0.358 0.000 1.773 205 C CB -2.442 25.507 27.740 0.348 0.000 1.793 205 C HN -0.176 8.133 8.230 0.133 0.000 0.544 206 A N 1.198 124.071 122.820 0.087 0.000 1.935 206 A HA -0.135 nan 4.320 nan 0.000 0.214 206 A C 1.488 179.083 177.584 0.019 0.000 1.178 206 A CA 3.037 55.100 52.037 0.043 0.000 0.640 206 A CB -0.628 18.376 19.000 0.007 0.000 0.825 206 A HN 0.674 8.703 8.150 0.015 0.130 0.447 207 R N -0.456 120.049 120.500 0.008 0.000 2.083 207 R HA -0.408 nan 4.340 nan 0.000 0.237 207 R C 2.019 178.196 176.300 -0.204 0.000 1.137 207 R CA 3.574 59.657 56.100 -0.028 0.000 0.951 207 R CB -0.131 30.227 30.300 0.097 0.000 0.851 207 R HN -0.170 8.088 8.270 -0.020 0.000 0.434 208 Y N 0.485 120.606 120.300 -0.298 0.000 2.053 208 Y HA -0.481 nan 4.550 nan 0.000 0.277 208 Y C 1.345 177.073 175.900 -0.285 0.000 1.159 208 Y CA 3.478 61.316 58.100 -0.437 0.000 1.125 208 Y CB -0.152 38.131 38.460 -0.295 0.000 0.969 208 Y HN 0.151 8.566 8.280 0.225 0.000 0.492 209 D N -2.678 117.661 120.400 -0.101 0.000 2.228 209 D HA -0.398 nan 4.640 nan 0.000 0.203 209 D C 2.730 178.927 176.300 -0.172 0.000 0.988 209 D CA 3.267 57.172 54.000 -0.157 0.000 0.864 209 D CB -0.931 39.860 40.800 -0.015 0.000 0.928 209 D HN 0.028 8.337 8.370 0.110 0.127 0.469 210 S N -0.220 115.410 115.700 -0.118 0.000 2.345 210 S HA -0.210 nan 4.470 nan 0.000 0.220 210 S C 2.499 177.049 174.600 -0.082 0.000 1.031 210 S CA 3.042 61.225 58.200 -0.029 0.000 0.996 210 S CB -0.013 63.240 63.200 0.088 0.000 0.882 210 S HN -0.197 8.036 8.310 -0.098 0.017 0.445 211 E N 1.676 121.746 120.200 -0.217 0.000 2.187 211 E HA -0.413 nan 4.350 nan 0.000 0.199 211 E C 2.467 178.906 176.600 -0.269 0.000 1.004 211 E CA 3.163 59.430 56.400 -0.222 0.000 0.813 211 E CB -0.480 28.966 29.700 -0.424 0.000 0.736 211 E HN -0.122 8.005 8.360 -0.291 0.058 0.468 212 R N -1.620 118.612 120.500 -0.446 0.000 2.070 212 R HA -0.277 nan 4.340 nan 0.000 0.233 212 R C 2.583 178.773 176.300 -0.184 0.000 1.137 212 R CA 3.183 59.067 56.100 -0.359 0.000 0.945 212 R CB -0.102 29.939 30.300 -0.431 0.000 0.845 212 R HN 0.245 8.163 8.270 -0.578 0.005 0.430 213 L N -1.504 119.628 121.223 -0.152 0.000 2.201 213 L HA -0.230 nan 4.340 nan 0.000 0.212 213 L C 2.702 179.531 176.870 -0.069 0.000 1.105 213 L CA 2.760 57.532 54.840 -0.113 0.000 0.775 213 L CB -0.618 41.358 42.059 -0.138 0.000 0.913 213 L HN -0.499 7.625 8.230 -0.176 0.000 0.440 214 S N 1.773 117.476 115.700 0.004 0.000 2.368 214 S HA -0.352 nan 4.470 nan 0.000 0.225 214 S C 1.708 176.323 174.600 0.026 0.000 1.030 214 S CA 4.443 62.700 58.200 0.094 0.000 0.999 214 S CB -0.542 62.754 63.200 0.160 0.000 0.844 214 S HN 0.492 8.663 8.310 -0.014 0.131 0.459 215 N N -1.477 117.220 118.700 -0.004 0.000 2.520 215 N HA -0.214 nan 4.740 nan 0.000 0.185 215 N C 0.194 175.683 175.510 -0.034 0.000 1.068 215 N CA 1.004 54.046 53.050 -0.015 0.000 0.911 215 N CB 0.228 38.706 38.487 -0.015 0.000 0.961 215 N HN -0.820 7.543 8.380 -0.014 0.009 0.446 216 G N -1.865 106.902 108.800 -0.055 0.000 2.212 216 G HA2 -0.307 nan 3.960 nan 0.000 0.255 216 G HA3 -0.307 nan 3.960 nan 0.000 0.255 216 G C -0.867 173.995 174.900 -0.063 0.000 1.062 216 G CA 0.278 45.337 45.100 -0.068 0.000 0.815 216 G HN -0.416 7.623 8.290 -0.058 0.215 0.497 217 L N -2.272 118.907 121.223 -0.074 0.000 2.299 217 L HA 0.410 nan 4.340 nan 0.000 0.268 217 L C -0.765 176.054 176.870 -0.084 0.000 1.012 217 L CA -2.112 52.685 54.840 -0.072 0.000 0.816 217 L CB 2.825 44.835 42.059 -0.081 0.000 1.355 217 L HN -0.031 8.149 8.230 -0.084 0.000 0.457 218 Q N -3.293 116.464 119.800 -0.070 0.000 2.260 218 Q HA 0.173 nan 4.340 nan 0.000 0.238 218 Q C -0.398 175.553 176.000 -0.083 0.000 0.948 218 Q CA -1.008 54.755 55.803 -0.066 0.000 0.895 218 Q CB 0.974 29.689 28.738 -0.039 0.000 1.218 218 Q HN 0.039 8.275 8.270 -0.056 0.000 0.470 219 R N -0.300 120.157 120.500 -0.072 0.000 2.740 219 R HA -0.260 nan 4.340 nan 0.000 0.263 219 R C -0.143 176.157 176.300 -0.001 0.000 0.997 219 R CA 1.258 57.325 56.100 -0.055 0.000 1.108 219 R CB 0.398 30.685 30.300 -0.022 0.000 0.969 219 R HN -0.180 8.260 8.270 -0.066 -0.210 0.431 220 M N 1.902 121.538 119.600 0.060 0.000 2.188 220 M HA -0.127 nan 4.480 nan 0.000 0.354 220 M C -0.373 176.014 176.300 0.145 0.000 1.342 220 M CA -1.016 54.376 55.300 0.153 0.000 1.117 220 M CB 0.795 33.602 32.600 0.345 0.000 1.670 220 M HN -0.010 8.679 8.290 0.068 -0.358 0.466 221 I N 7.094 127.739 120.570 0.125 0.000 2.598 221 I HA 0.061 nan 4.170 nan 0.000 0.284 221 I C -1.826 174.376 176.117 0.142 0.000 1.140 221 I CA -2.719 58.646 61.300 0.109 0.000 1.420 221 I CB 0.965 39.013 38.000 0.079 0.000 1.387 221 I HN 0.101 8.381 8.210 0.116 0.000 0.553 222 P HA 0.005 nan 4.420 nan 0.000 0.271 222 P C -1.149 176.221 177.300 0.116 0.000 1.218 222 P CA -0.879 62.315 63.100 0.156 0.000 0.780 222 P CB 0.728 32.529 31.700 0.170 0.000 0.901 223 F N 4.359 124.228 119.950 -0.135 0.000 2.661 223 F HA -0.036 nan 4.527 nan 0.000 0.356 223 F C -0.510 174.774 175.800 -0.859 0.000 1.244 223 F CA -1.193 56.577 58.000 -0.383 0.000 1.290 223 F CB -0.659 38.143 39.000 -0.331 0.000 1.677 223 F HN 0.162 8.497 8.300 0.178 0.072 0.649 224 H N 5.040 123.748 119.070 -0.603 0.000 2.436 224 H HA -0.143 nan 4.556 nan 0.000 0.294 224 H C -0.607 174.302 175.328 -0.698 0.000 1.048 224 H CA 1.455 57.188 56.048 -0.524 0.000 1.353 224 H CB 0.732 30.393 29.762 -0.168 0.000 1.414 224 H HN -0.061 8.038 8.280 -0.214 0.053 0.536 225 N N -2.383 115.861 118.700 -0.760 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.439 174.414 175.510 -1.094 0.000 1.133 225 N CA -1.401 51.293 53.050 -0.594 0.000 0.853 225 N CB 1.630 39.962 38.487 -0.258 0.000 1.241 225 N HN -0.520 7.376 8.380 -0.808 0.000 0.502 226 F N -0.567 119.041 119.950 -0.570 0.000 2.530 226 F HA -0.033 nan 4.527 nan 0.000 0.292 226 F C 0.983 176.683 175.800 -0.167 0.000 1.109 226 F CA 1.818 59.586 58.000 -0.388 0.000 1.450 226 F CB 0.731 39.682 39.000 -0.082 0.000 1.114 226 F HN 0.424 8.763 8.300 0.066 0.000 0.560 227 D N -0.659 119.743 120.400 0.002 0.000 2.097 227 D HA -0.264 nan 4.640 nan 0.000 0.195 227 D C 0.463 176.767 176.300 0.006 0.000 0.989 227 D CA 2.463 56.470 54.000 0.011 0.000 0.827 227 D CB -0.401 40.391 40.800 -0.014 0.000 0.966 227 D HN -0.718 7.886 8.370 -0.012 -0.241 0.456 228 E N -0.264 119.890 120.200 -0.076 0.000 2.493 228 E HA 0.051 nan 4.350 nan 0.000 0.255 228 E C -1.378 175.285 176.600 0.104 0.000 0.999 228 E CA -1.190 55.192 56.400 -0.031 0.000 0.934 228 E CB -0.405 29.232 29.700 -0.106 0.000 0.940 228 E HN -0.066 8.188 8.360 -0.177 0.000 0.473 229 P HA -0.139 nan 4.420 nan 0.000 0.267 229 P C -1.557 175.851 177.300 0.180 0.000 1.195 229 P CA 0.668 63.841 63.100 0.123 0.000 0.773 229 P CB 0.361 32.078 31.700 0.028 0.000 0.837 230 L N 1.620 122.951 121.223 0.179 0.000 2.325 230 L HA 0.206 nan 4.340 nan 0.000 0.279 230 L C -0.106 176.841 176.870 0.128 0.000 1.054 230 L CA -0.672 54.257 54.840 0.148 0.000 0.804 230 L CB 1.054 43.176 42.059 0.106 0.000 1.200 230 L HN 0.361 8.600 8.230 0.186 0.103 0.436 231 E N 2.061 122.331 120.200 0.117 0.000 2.422 231 E HA -0.151 nan 4.350 nan 0.000 0.260 231 E C 0.351 177.038 176.600 0.144 0.000 1.108 231 E CA 0.636 57.108 56.400 0.119 0.000 0.943 231 E CB 0.768 30.538 29.700 0.116 0.000 0.961 231 E HN 0.289 8.716 8.360 0.112 0.000 0.443 232 G N -0.563 108.329 108.800 0.154 0.000 2.377 232 G HA2 0.369 nan 3.960 nan 0.000 0.299 232 G HA3 0.369 nan 3.960 nan 0.000 0.299 232 G C -1.759 173.292 174.900 0.252 0.000 1.150 232 G CA -0.425 44.779 45.100 0.174 0.000 0.847 232 G HN 0.019 8.392 8.290 0.138 0.000 0.501 233 Y N 3.890 124.219 120.300 0.048 0.000 2.474 233 Y HA 0.066 nan 4.550 nan 0.000 0.326 233 Y C -2.930 172.964 175.900 -0.010 0.000 1.160 233 Y CA 0.475 58.596 58.100 0.035 0.000 1.056 233 Y CB 4.241 42.725 38.460 0.041 0.000 1.330 233 Y HN 0.831 9.112 8.280 0.184 0.109 0.447 234 A N 5.789 128.170 122.820 -0.732 0.000 2.293 234 A HA 0.467 nan 4.320 nan 0.000 0.312 234 A C -1.815 175.133 177.584 -1.059 0.000 1.309 234 A CA -4.440 47.142 52.037 -0.758 0.000 0.839 234 A CB 0.552 19.157 19.000 -0.659 0.000 1.155 234 A HN 0.288 7.955 8.150 -0.806 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.711 176.565 177.300 -0.040 0.000 1.148 235 P CA 1.137 64.054 63.100 -0.304 0.000 0.803 235 P CB 0.174 31.806 31.700 -0.113 0.000 0.782 236 H N -6.871 112.117 119.070 -0.136 0.000 2.880 236 H HA -0.288 nan 4.556 nan 0.000 0.304 236 H C -1.705 173.627 175.328 0.006 0.000 1.259 236 H CA 0.361 56.378 56.048 -0.050 0.000 1.153 236 H CB -1.893 27.847 29.762 -0.036 0.000 1.395 236 H HN 0.393 8.395 8.280 -0.393 0.042 0.420 237 L N -0.549 120.729 121.223 0.093 0.000 2.372 237 L HA 0.361 nan 4.340 nan 0.000 0.273 237 L C -1.218 175.780 176.870 0.213 0.000 0.989 237 L CA -0.903 54.016 54.840 0.132 0.000 0.841 237 L CB 1.749 43.829 42.059 0.035 0.000 1.225 237 L HN -0.286 7.973 8.230 0.048 0.000 0.414 238 T N -0.642 114.013 114.554 0.169 0.000 2.875 238 T HA 0.463 nan 4.350 nan 0.000 0.284 238 T C -0.064 174.734 174.700 0.163 0.000 0.995 238 T CA -2.372 59.815 62.100 0.145 0.000 1.060 238 T CB 0.798 69.721 68.868 0.091 0.000 0.967 238 T HN 0.082 8.410 8.240 0.147 0.000 0.476 239 S N 3.643 119.411 115.700 0.113 0.000 2.499 239 S HA 0.315 nan 4.470 nan 0.000 0.275 239 S C 1.757 176.425 174.600 0.113 0.000 1.257 239 S CA -0.962 57.309 58.200 0.118 0.000 1.050 239 S CB 1.065 64.255 63.200 -0.017 0.000 0.937 239 S HN 0.078 8.415 8.310 0.046 0.000 0.490 240 L N 1.498 122.822 121.223 0.168 0.000 2.450 240 L HA -0.110 nan 4.340 nan 0.000 0.224 240 L C 0.669 177.619 176.870 0.132 0.000 1.149 240 L CA 2.163 57.093 54.840 0.150 0.000 0.816 240 L CB -0.592 41.576 42.059 0.182 0.000 0.932 240 L HN 0.092 8.685 8.230 0.221 -0.231 0.449 241 V N -7.503 112.493 119.914 0.137 0.000 3.141 241 V HA -0.099 nan 4.120 nan 0.000 0.265 241 V C 0.437 176.562 176.094 0.051 0.000 1.126 241 V CA 0.300 62.665 62.300 0.107 0.000 1.141 241 V CB -0.954 30.927 31.823 0.097 0.000 0.743 241 V HN 0.240 8.452 8.190 0.141 0.062 0.492 242 S N -0.308 115.413 115.700 0.036 0.000 3.407 242 S HA 0.223 nan 4.470 nan 0.000 0.315 242 S C -0.778 173.831 174.600 0.015 0.000 1.211 242 S CA 0.005 58.214 58.200 0.015 0.000 1.148 242 S CB 1.408 64.608 63.200 -0.000 0.000 1.511 242 S HN -0.629 7.650 8.310 0.046 0.058 0.604 243 G N -0.706 108.097 108.800 0.005 0.000 2.709 243 G HA2 0.204 nan 3.960 nan 0.000 0.208 243 G HA3 0.204 nan 3.960 nan 0.000 0.208 243 G C 0.066 174.968 174.900 0.002 0.000 1.129 243 G CA 0.197 45.301 45.100 0.007 0.000 0.793 243 G HN 0.112 8.401 8.290 -0.001 0.000 0.524 244 L N 0.731 121.946 121.223 -0.014 0.000 2.425 244 L HA 0.050 nan 4.340 nan 0.000 0.225 244 L C -0.652 176.194 176.870 -0.040 0.000 1.222 244 L CA 0.605 55.427 54.840 -0.031 0.000 0.832 244 L CB 0.876 42.906 42.059 -0.048 0.000 1.238 244 L HN -0.731 7.490 8.230 -0.016 0.000 0.533 245 Q N -5.395 114.370 119.800 -0.059 0.000 2.534 245 Q HA 0.289 nan 4.340 nan 0.000 0.290 245 Q C -1.263 174.688 176.000 -0.081 0.000 0.991 245 Q CA -1.506 54.274 55.803 -0.039 0.000 0.783 245 Q CB 2.777 31.543 28.738 0.045 0.000 1.470 245 Q HN -0.210 8.020 8.270 -0.066 0.000 0.406 246 Y N 0.414 120.707 120.300 -0.010 0.000 2.828 246 Y HA -0.310 nan 4.550 nan 0.000 0.359 246 Y C -0.111 175.768 175.900 -0.036 0.000 1.258 246 Y CA 1.387 59.478 58.100 -0.014 0.000 1.652 246 Y CB -1.099 37.355 38.460 -0.011 0.000 1.232 246 Y HN -0.297 8.141 8.280 0.263 0.000 0.513 247 A N 6.786 129.641 122.820 0.058 0.000 2.567 247 A HA -0.188 nan 4.320 nan 0.000 0.240 247 A C -1.349 176.246 177.584 0.017 0.000 1.053 247 A CA 0.725 52.763 52.037 0.002 0.000 0.755 247 A CB 0.496 19.476 19.000 -0.034 0.000 0.978 247 A HN 0.246 8.409 8.150 0.021 0.000 0.507 248 S N -0.081 115.602 115.700 -0.028 0.000 2.509 248 S HA 0.181 nan 4.470 nan 0.000 0.297 248 S C -0.753 173.839 174.600 -0.013 0.000 1.118 248 S CA -1.581 56.600 58.200 -0.032 0.000 1.074 248 S CB 2.055 65.182 63.200 -0.123 0.000 1.038 248 S HN -0.370 7.907 8.310 -0.056 0.000 0.498 249 R N 3.244 123.769 120.500 0.042 0.000 2.267 249 R HA 0.391 nan 4.340 nan 0.000 0.319 249 R C -1.602 174.760 176.300 0.104 0.000 1.067 249 R CA -2.745 53.400 56.100 0.074 0.000 0.936 249 R CB 0.625 30.996 30.300 0.117 0.000 1.006 249 R HN 0.109 8.422 8.270 0.071 0.000 0.452 250 P HA -0.050 nan 4.420 nan 0.000 0.271 250 P C -1.037 176.438 177.300 0.292 0.000 1.216 250 P CA -0.253 62.965 63.100 0.197 0.000 0.776 250 P CB 0.499 32.340 31.700 0.235 0.000 0.881 251 E N 1.094 121.403 120.200 0.182 0.000 2.425 251 E HA -0.287 nan 4.350 nan 0.000 0.258 251 E C 0.640 177.223 176.600 -0.027 0.000 1.151 251 E CA -0.004 56.463 56.400 0.110 0.000 0.958 251 E CB -0.165 29.577 29.700 0.070 0.000 0.968 251 E HN -0.013 8.434 8.360 0.144 0.000 0.451 252 G N 0.150 108.888 108.800 -0.104 0.000 2.212 252 G HA2 -0.443 nan 3.960 nan 0.000 0.255 252 G HA3 -0.443 nan 3.960 nan 0.000 0.255 252 G C -1.628 172.860 174.900 -0.686 0.000 1.062 252 G CA 0.199 45.114 45.100 -0.308 0.000 0.815 252 G HN 0.050 8.338 8.290 -0.003 0.000 0.497 253 Y N -0.994 119.368 120.300 0.104 0.000 2.376 253 Y HA 0.137 nan 4.550 nan 0.000 0.340 253 Y C -1.024 174.972 175.900 0.160 0.000 0.965 253 Y CA -2.095 56.085 58.100 0.133 0.000 1.078 253 Y CB 2.233 40.769 38.460 0.127 0.000 1.193 253 Y HN -0.910 7.383 8.280 0.020 0.000 0.452 254 S N 2.287 118.154 115.700 0.279 0.000 2.603 254 S HA 0.230 nan 4.470 nan 0.000 0.268 254 S C -0.743 174.036 174.600 0.297 0.000 1.317 254 S CA -0.520 57.812 58.200 0.220 0.000 1.012 254 S CB 1.107 64.358 63.200 0.085 0.000 0.926 254 S HN 0.576 9.050 8.310 0.273 0.000 0.539 255 I N 3.229 123.951 120.570 0.254 0.000 2.696 255 I HA -0.094 nan 4.170 nan 0.000 0.284 255 I C -1.702 174.512 176.117 0.162 0.000 1.129 255 I CA 0.038 61.505 61.300 0.278 0.000 1.410 255 I CB 0.770 39.003 38.000 0.389 0.000 1.399 255 I HN -0.040 8.320 8.210 0.249 0.000 0.579 256 H N 6.617 125.767 119.070 0.133 0.000 2.637 256 H HA 0.238 nan 4.556 nan 0.000 0.363 256 H C -1.353 174.018 175.328 0.072 0.000 1.131 256 H CA -1.093 55.013 56.048 0.098 0.000 1.183 256 H CB 3.112 32.931 29.762 0.094 0.000 1.637 256 H HN 0.383 8.849 8.280 0.310 0.000 0.531 257 D N 1.947 122.435 120.400 0.147 0.000 2.364 257 D HA 0.071 nan 4.640 nan 0.000 0.236 257 D C -0.933 175.420 176.300 0.088 0.000 1.221 257 D CA 1.084 55.123 54.000 0.066 0.000 0.891 257 D CB 0.508 41.318 40.800 0.016 0.000 1.190 257 D HN 0.114 8.552 8.370 0.114 0.000 0.449 258 L N -1.150 120.098 121.223 0.041 0.000 2.323 258 L HA 0.311 nan 4.340 nan 0.000 0.265 258 L C 0.329 177.228 176.870 0.049 0.000 1.012 258 L CA -1.074 53.810 54.840 0.074 0.000 0.820 258 L CB 2.221 44.338 42.059 0.096 0.000 1.334 258 L HN -0.334 7.887 8.230 -0.015 0.000 0.427 259 S N 0.699 116.456 115.700 0.095 0.000 2.440 259 S HA -0.345 nan 4.470 nan 0.000 0.238 259 S C 0.254 174.890 174.600 0.061 0.000 1.010 259 S CA 2.945 61.197 58.200 0.086 0.000 0.972 259 S CB 0.010 63.290 63.200 0.134 0.000 0.774 259 S HN 0.818 9.204 8.310 0.126 0.000 0.501 260 D N 1.061 121.490 120.400 0.049 0.000 2.196 260 D HA -0.060 nan 4.640 nan 0.000 0.228 260 D C -0.741 175.433 176.300 -0.210 0.000 1.028 260 D CA 0.722 54.689 54.000 -0.055 0.000 0.924 260 D CB 0.294 41.086 40.800 -0.012 0.000 1.025 260 D HN -0.193 8.229 8.370 0.109 0.014 0.438 261 V N 1.191 120.880 119.914 -0.375 0.000 2.435 261 V HA 0.131 nan 4.120 nan 0.000 0.290 261 V C -0.818 175.062 176.094 -0.358 0.000 1.030 261 V CA -1.301 60.691 62.300 -0.513 0.000 0.881 261 V CB 1.396 32.668 31.823 -0.918 0.000 0.983 261 V HN -0.489 7.513 8.190 -0.313 0.000 0.445 262 D N 4.852 125.055 120.400 -0.329 0.000 2.357 262 D HA 0.007 nan 4.640 nan 0.000 0.242 262 D C 0.959 177.075 176.300 -0.307 0.000 1.153 262 D CA 0.181 54.031 54.000 -0.251 0.000 0.918 262 D CB 1.061 41.734 40.800 -0.212 0.000 1.181 262 D HN -0.030 8.130 8.370 -0.350 0.000 0.435 263 V N -0.613 119.165 119.914 -0.228 0.000 2.720 263 V HA -0.339 nan 4.120 nan 0.000 0.256 263 V C 1.789 177.672 176.094 -0.352 0.000 1.082 263 V CA 3.712 65.855 62.300 -0.261 0.000 1.101 263 V CB -0.870 30.843 31.823 -0.184 0.000 0.693 263 V HN 0.122 8.507 8.190 -0.166 -0.295 0.479 264 Q N -0.915 118.695 119.800 -0.317 0.000 2.212 264 Q HA -0.258 nan 4.340 nan 0.000 0.199 264 Q C 1.274 177.037 176.000 -0.394 0.000 0.950 264 Q CA 3.615 59.233 55.803 -0.310 0.000 0.863 264 Q CB -0.111 28.492 28.738 -0.224 0.000 0.944 264 Q HN -0.381 7.839 8.270 -0.278 -0.116 0.465 265 D N 1.367 121.455 120.400 -0.520 0.000 2.117 265 D HA -0.278 nan 4.640 nan 0.000 0.197 265 D C 2.167 177.773 176.300 -1.157 0.000 0.987 265 D CA 3.228 56.736 54.000 -0.819 0.000 0.829 265 D CB -0.199 40.031 40.800 -0.951 0.000 0.961 265 D HN -0.904 7.592 8.370 -0.464 -0.405 0.460 266 M N -0.611 118.431 119.600 -0.931 0.000 2.110 266 M HA -0.430 nan 4.480 nan 0.000 0.257 266 M C 2.605 178.818 176.300 -0.146 0.000 1.071 266 M CA 3.413 58.450 55.300 -0.439 0.000 1.096 266 M CB -0.720 31.741 32.600 -0.232 0.000 1.300 266 M HN -0.538 7.261 8.290 -0.818 0.000 0.411 267 V N -1.255 118.482 119.914 -0.295 0.000 2.295 267 V HA -0.500 nan 4.120 nan 0.000 0.246 267 V C 2.134 178.151 176.094 -0.129 0.000 1.049 267 V CA 4.318 66.484 62.300 -0.224 0.000 1.024 267 V CB -1.028 30.593 31.823 -0.337 0.000 0.648 267 V HN -0.051 7.900 8.190 -0.399 0.000 0.447 268 R N -0.664 119.712 120.500 -0.207 0.000 2.097 268 R HA -0.448 nan 4.340 nan 0.000 0.236 268 R C 2.044 178.285 176.300 -0.099 0.000 1.135 268 R CA 3.718 59.716 56.100 -0.169 0.000 0.934 268 R CB -0.278 29.883 30.300 -0.232 0.000 0.846 268 R HN 0.162 8.152 8.270 -0.287 0.108 0.431 269 W N -2.462 118.697 121.300 -0.236 0.000 2.275 269 W HA -0.376 nan 4.660 nan 0.000 0.321 269 W C 2.452 178.846 176.519 -0.208 0.000 1.269 269 W CA 2.443 59.617 57.345 -0.284 0.000 1.274 269 W CB -1.127 28.250 29.460 -0.140 0.000 1.141 269 W HN 0.314 8.343 8.180 -0.252 0.000 0.493 270 R N -1.579 119.018 120.500 0.162 0.000 2.062 270 R HA -0.437 nan 4.340 nan 0.000 0.231 270 R C 1.991 178.307 176.300 0.027 0.000 1.136 270 R CA 3.647 59.809 56.100 0.103 0.000 0.948 270 R CB -0.132 30.263 30.300 0.158 0.000 0.845 270 R HN -0.613 7.694 8.270 0.195 0.080 0.430 271 E N -1.370 118.828 120.200 -0.002 0.000 2.130 271 E HA -0.358 nan 4.350 nan 0.000 0.196 271 E C 2.869 179.461 176.600 -0.013 0.000 0.998 271 E CA 2.538 58.933 56.400 -0.008 0.000 0.806 271 E CB -1.050 28.642 29.700 -0.013 0.000 0.738 271 E HN -0.357 7.998 8.360 -0.008 0.000 0.459 272 R N -2.143 118.289 120.500 -0.114 0.000 2.127 272 R HA -0.265 nan 4.340 nan 0.000 0.238 272 R C 2.990 179.297 176.300 0.012 0.000 1.134 272 R CA 2.737 58.687 56.100 -0.250 0.000 0.975 272 R CB -0.260 29.225 30.300 -1.359 0.000 0.865 272 R HN 0.363 8.534 8.270 -0.147 0.011 0.447 273 I N 0.058 120.687 120.570 0.097 0.000 2.141 273 I HA -0.440 nan 4.170 nan 0.000 0.236 273 I C 1.228 177.409 176.117 0.106 0.000 1.071 273 I CA 3.321 64.815 61.300 0.323 0.000 1.345 273 I CB -0.118 37.981 38.000 0.164 0.000 1.066 273 I HN -0.474 7.603 8.210 -0.009 0.128 0.406 274 L N -1.286 119.947 121.223 0.017 0.000 2.046 274 L HA -0.506 nan 4.340 nan 0.000 0.208 274 L C 2.259 179.099 176.870 -0.049 0.000 1.077 274 L CA 3.318 58.130 54.840 -0.047 0.000 0.747 274 L CB -0.744 41.293 42.059 -0.036 0.000 0.896 274 L HN 0.239 8.412 8.230 0.024 0.071 0.432 275 D N -1.501 118.896 120.400 -0.005 0.000 2.097 275 D HA -0.294 nan 4.640 nan 0.000 0.197 275 D C 1.567 177.821 176.300 -0.077 0.000 0.984 275 D CA 3.476 57.464 54.000 -0.021 0.000 0.826 275 D CB -0.123 40.686 40.800 0.015 0.000 0.973 275 D HN -0.024 8.353 8.370 0.024 0.007 0.460 276 A N -0.402 122.408 122.820 -0.016 0.000 1.948 276 A HA -0.312 nan 4.320 nan 0.000 0.220 276 A C 2.223 179.641 177.584 -0.276 0.000 1.177 276 A CA 2.981 54.943 52.037 -0.125 0.000 0.636 276 A CB -0.795 18.334 19.000 0.214 0.000 0.815 276 A HN -0.689 7.525 8.150 0.106 0.000 0.449 277 I N -2.106 118.320 120.570 -0.239 0.000 2.127 277 I HA -0.587 nan 4.170 nan 0.000 0.241 277 I C 1.866 177.702 176.117 -0.469 0.000 1.075 277 I CA 3.746 64.809 61.300 -0.394 0.000 1.334 277 I CB -0.525 37.262 38.000 -0.354 0.000 1.040 277 I HN -0.049 8.066 8.210 -0.146 0.008 0.405 278 N N -0.918 117.643 118.700 -0.232 0.000 2.069 278 N HA -0.240 nan 4.740 nan 0.000 0.191 278 N C 2.435 177.963 175.510 0.030 0.000 1.031 278 N CA 2.879 55.897 53.050 -0.054 0.000 0.852 278 N CB -0.183 38.284 38.487 -0.033 0.000 1.018 278 N HN -0.626 7.572 8.380 -0.185 0.072 0.423 279 M N -1.810 117.677 119.600 -0.189 0.000 2.358 279 M HA -0.314 nan 4.480 nan 0.000 0.264 279 M C -0.157 176.016 176.300 -0.212 0.000 1.064 279 M CA 2.498 57.596 55.300 -0.338 0.000 1.093 279 M CB 0.442 32.509 32.600 -0.887 0.000 1.401 279 M HN 0.342 8.378 8.290 -0.239 0.110 0.440 280 H N -6.167 112.756 119.070 -0.246 0.000 2.976 280 H HA -0.283 nan 4.556 nan 0.000 0.273 280 H C -1.499 173.902 175.328 0.121 0.000 1.259 280 H CA 1.642 57.675 56.048 -0.025 0.000 1.122 280 H CB -2.487 27.314 29.762 0.065 0.000 1.298 280 H HN -0.079 7.744 8.280 -0.341 0.252 0.379 281 Y N -6.341 113.982 120.300 0.038 0.000 2.900 281 Y HA 0.879 nan 4.550 nan 0.000 0.318 281 Y C -2.789 173.112 175.900 0.003 0.000 1.457 281 Y CA -2.163 55.959 58.100 0.035 0.000 1.082 281 Y CB 2.803 41.300 38.460 0.063 0.000 1.419 281 Y HN -0.049 7.973 8.280 -0.256 0.104 0.459 282 I N -5.592 115.231 120.570 0.421 0.000 2.722 282 I HA 0.546 nan 4.170 nan 0.000 0.295 282 I C -1.652 174.603 176.117 0.231 0.000 1.161 282 I CA -1.625 59.872 61.300 0.328 0.000 1.032 282 I CB 3.994 42.031 38.000 0.062 0.000 1.244 282 I HN 0.038 8.445 8.210 0.328 0.000 0.421 283 V N -1.908 118.177 119.914 0.284 0.000 2.348 283 V HA 0.415 nan 4.120 nan 0.000 0.270 283 V C -0.495 175.684 176.094 0.141 0.000 1.037 283 V CA -2.617 59.736 62.300 0.089 0.000 0.872 283 V CB -0.556 31.239 31.823 -0.046 0.000 1.002 283 V HN -0.089 8.395 8.190 0.491 0.000 0.464 284 D N 9.019 129.461 120.400 0.070 0.000 2.369 284 D HA 0.145 nan 4.640 nan 0.000 0.241 284 D C 0.940 177.266 176.300 0.042 0.000 1.271 284 D CA -0.719 53.325 54.000 0.073 0.000 0.942 284 D CB 0.929 41.749 40.800 0.033 0.000 1.129 284 D HN -0.334 8.053 8.370 0.028 0.000 0.476 285 K N -0.402 120.024 120.400 0.043 0.000 2.737 285 K HA -0.286 nan 4.320 nan 0.000 0.206 285 K C -0.816 175.784 176.600 0.000 0.000 0.986 285 K CA 1.416 57.717 56.287 0.023 0.000 1.006 285 K CB -1.589 30.929 32.500 0.030 0.000 0.824 285 K HN 0.075 8.360 8.250 0.059 0.000 0.484 286 D N -4.135 116.257 120.400 -0.014 0.000 2.516 286 D HA 0.016 nan 4.640 nan 0.000 0.241 286 D C 0.134 176.406 176.300 -0.046 0.000 1.246 286 D CA -0.282 53.702 54.000 -0.026 0.000 0.808 286 D CB 0.771 41.557 40.800 -0.023 0.000 1.147 286 D HN -0.311 7.922 8.370 -0.013 0.130 0.527 287 N N -3.542 115.121 118.700 -0.063 0.000 2.948 287 N HA -0.461 nan 4.740 nan 0.000 0.239 287 N C -1.093 174.350 175.510 -0.112 0.000 0.954 287 N CA 1.541 54.534 53.050 -0.095 0.000 0.941 287 N CB -1.784 36.648 38.487 -0.091 0.000 1.101 287 N HN 0.309 8.658 8.380 -0.052 0.000 0.579 288 N N 2.053 120.698 118.700 -0.092 0.000 2.458 288 N HA 0.047 nan 4.740 nan 0.000 0.270 288 N C -1.017 174.405 175.510 -0.147 0.000 1.102 288 N CA 0.252 53.236 53.050 -0.110 0.000 0.967 288 N CB 0.783 39.228 38.487 -0.071 0.000 1.078 288 N HN -0.468 8.117 8.380 -0.066 -0.245 0.471 289 K N 3.260 123.514 120.400 -0.244 0.000 2.292 289 K HA 0.225 nan 4.320 nan 0.000 0.290 289 K C -0.230 176.273 176.600 -0.161 0.000 1.083 289 K CA -0.503 55.560 56.287 -0.374 0.000 0.918 289 K CB -0.458 31.563 32.500 -0.798 0.000 1.089 289 K HN 0.207 8.317 8.250 -0.232 0.000 0.473 290 I N 0.788 121.328 120.570 -0.051 0.000 2.488 290 I HA 0.552 nan 4.170 nan 0.000 0.299 290 I C -2.064 174.104 176.117 0.085 0.000 0.984 290 I CA -3.329 57.977 61.300 0.010 0.000 1.250 290 I CB 0.986 38.991 38.000 0.008 0.000 1.389 290 I HN 0.356 8.546 8.210 -0.034 0.000 0.488 291 P HA 0.070 nan 4.420 nan 0.000 0.271 291 P C -0.728 176.689 177.300 0.195 0.000 1.216 291 P CA -0.240 62.966 63.100 0.176 0.000 0.771 291 P CB 0.087 31.881 31.700 0.158 0.000 0.864 292 L N 5.664 127.022 121.223 0.224 0.000 2.391 292 L HA -0.050 nan 4.340 nan 0.000 0.249 292 L C -0.533 176.601 176.870 0.439 0.000 1.308 292 L CA -0.881 54.119 54.840 0.267 0.000 1.209 292 L CB -1.355 40.736 42.059 0.053 0.000 1.401 292 L HN 0.083 8.354 8.230 0.245 0.106 0.416 293 D N 3.122 123.720 120.400 0.329 0.000 2.354 293 D HA -0.097 nan 4.640 nan 0.000 0.238 293 D C 1.004 177.361 176.300 0.095 0.000 1.250 293 D CA 0.122 54.257 54.000 0.226 0.000 0.911 293 D CB 2.134 43.069 40.800 0.225 0.000 1.163 293 D HN -0.338 8.128 8.370 0.284 0.074 0.456 294 I N -0.083 120.333 120.570 -0.258 0.000 2.113 294 I HA -0.476 nan 4.170 nan 0.000 0.238 294 I C 1.610 177.376 176.117 -0.585 0.000 1.070 294 I CA 3.543 64.291 61.300 -0.919 0.000 1.332 294 I CB 0.150 37.721 38.000 -0.715 0.000 1.044 294 I HN 0.119 8.240 8.210 -0.148 0.000 0.402 295 E N -1.926 118.044 120.200 -0.384 0.000 2.001 295 E HA -0.358 nan 4.350 nan 0.000 0.193 295 E C 2.913 179.349 176.600 -0.273 0.000 0.994 295 E CA 2.900 59.067 56.400 -0.389 0.000 0.815 295 E CB -0.086 29.234 29.700 -0.634 0.000 0.770 295 E HN -0.614 7.666 8.360 -0.334 -0.121 0.453 296 H N -1.091 117.997 119.070 0.030 0.000 2.421 296 H HA -0.183 nan 4.556 nan 0.000 0.298 296 H C 2.560 177.971 175.328 0.138 0.000 1.087 296 H CA 2.698 58.788 56.048 0.071 0.000 1.330 296 H CB -0.352 29.446 29.762 0.059 0.000 1.388 296 H HN 0.081 8.447 8.280 -0.458 -0.360 0.526 297 G N -1.649 107.334 108.800 0.305 0.000 2.550 297 G HA2 -0.469 nan 3.960 nan 0.000 0.222 297 G HA3 -0.469 nan 3.960 nan 0.000 0.222 297 G C 0.770 175.903 174.900 0.389 0.000 1.113 297 G CA 2.490 47.861 45.100 0.451 0.000 0.748 297 G HN -0.211 8.193 8.290 0.250 0.036 0.585 298 T N 2.205 116.952 114.554 0.321 0.000 3.035 298 T HA -0.077 nan 4.350 nan 0.000 0.259 298 T C 1.763 176.603 174.700 0.233 0.000 1.078 298 T CA 3.768 66.036 62.100 0.280 0.000 1.132 298 T CB -0.301 68.675 68.868 0.179 0.000 0.900 298 T HN -0.714 7.623 8.240 0.251 0.053 0.480 299 D N 2.847 123.356 120.400 0.182 0.000 2.123 299 D HA -0.091 nan 4.640 nan 0.000 0.200 299 D C 1.306 177.698 176.300 0.154 0.000 0.976 299 D CA 2.921 57.015 54.000 0.157 0.000 0.831 299 D CB 0.006 40.883 40.800 0.128 0.000 0.974 299 D HN -0.110 8.365 8.370 0.174 0.000 0.469 300 I N -4.040 116.616 120.570 0.144 0.000 2.928 300 I HA -0.056 nan 4.170 nan 0.000 0.266 300 I C 1.620 177.754 176.117 0.029 0.000 1.234 300 I CA 2.688 64.038 61.300 0.083 0.000 1.483 300 I CB -0.014 38.029 38.000 0.072 0.000 1.097 300 I HN -0.397 7.915 8.210 0.171 0.000 0.455 301 L N 0.853 122.121 121.223 0.076 0.000 2.162 301 L HA 0.002 nan 4.340 nan 0.000 0.205 301 L C 1.374 178.343 176.870 0.165 0.000 1.086 301 L CA 2.117 56.958 54.840 0.001 0.000 0.778 301 L CB -0.066 41.980 42.059 -0.022 0.000 0.928 301 L HN 0.216 8.439 8.230 0.153 0.100 0.446 302 G N -1.607 107.447 108.800 0.424 0.000 2.402 302 G HA2 -0.416 nan 3.960 nan 0.000 0.216 302 G HA3 -0.416 nan 3.960 nan 0.000 0.216 302 G C 0.743 175.812 174.900 0.281 0.000 1.162 302 G CA 2.492 47.963 45.100 0.618 0.000 0.777 302 G HN -0.056 8.356 8.290 0.377 0.103 0.539 303 D N 0.867 121.344 120.400 0.128 0.000 2.097 303 D HA -0.323 nan 4.640 nan 0.000 0.195 303 D C 2.132 178.425 176.300 -0.013 0.000 0.989 303 D CA 2.815 56.825 54.000 0.016 0.000 0.827 303 D CB -0.717 40.102 40.800 0.032 0.000 0.966 303 D HN 0.165 8.625 8.370 0.151 0.000 0.456 304 I N -0.579 119.986 120.570 -0.007 0.000 2.127 304 I HA -0.461 nan 4.170 nan 0.000 0.241 304 I C 2.038 178.149 176.117 -0.011 0.000 1.075 304 I CA 3.148 64.423 61.300 -0.042 0.000 1.334 304 I CB 0.202 38.088 38.000 -0.191 0.000 1.040 304 I HN -0.892 7.318 8.210 0.000 0.000 0.405 305 I N -1.808 118.765 120.570 0.005 0.000 2.394 305 I HA -0.444 nan 4.170 nan 0.000 0.251 305 I C 1.379 177.589 176.117 0.156 0.000 1.136 305 I CA 2.173 63.512 61.300 0.066 0.000 1.425 305 I CB -0.725 37.263 38.000 -0.019 0.000 1.079 305 I HN -0.036 8.172 8.210 -0.003 0.000 0.425 306 E N -0.052 120.165 120.200 0.028 0.000 2.023 306 E HA -0.297 nan 4.350 nan 0.000 0.196 306 E C -0.334 176.312 176.600 0.077 0.000 1.003 306 E CA 3.452 59.784 56.400 -0.114 0.000 0.809 306 E CB 0.154 29.446 29.700 -0.680 0.000 0.755 306 E HN -0.411 7.909 8.360 -0.027 0.024 0.449 307 S N -4.285 111.424 115.700 0.015 0.000 2.687 307 S HA 0.342 nan 4.470 nan 0.000 0.283 307 S C -0.207 174.371 174.600 -0.036 0.000 1.170 307 S CA -0.559 57.631 58.200 -0.016 0.000 1.008 307 S CB 1.766 64.968 63.200 0.003 0.000 1.026 307 S HN -0.508 7.804 8.310 0.004 0.000 0.541 308 S N 0.377 116.059 115.700 -0.030 0.000 2.738 308 S HA 0.230 nan 4.470 nan 0.000 0.284 308 S C 1.456 176.068 174.600 0.020 0.000 1.146 308 S CA -0.313 57.886 58.200 -0.002 0.000 0.997 308 S CB 1.811 65.014 63.200 0.005 0.000 1.081 308 S HN 0.418 8.617 8.310 -0.028 0.094 0.553 309 D N 3.416 123.833 120.400 0.028 0.000 2.149 309 D HA -0.209 nan 4.640 nan 0.000 0.198 309 D C 1.033 177.347 176.300 0.023 0.000 0.990 309 D CA 3.148 57.161 54.000 0.021 0.000 0.839 309 D CB -0.081 40.718 40.800 -0.002 0.000 0.948 309 D HN 0.557 8.947 8.370 0.032 0.000 0.460 310 E N -1.671 118.549 120.200 0.033 0.000 2.510 310 E HA -0.171 nan 4.350 nan 0.000 0.202 310 E C -0.502 176.117 176.600 0.031 0.000 1.072 310 E CA 0.819 57.241 56.400 0.036 0.000 0.883 310 E CB -0.402 29.330 29.700 0.053 0.000 0.818 310 E HN 0.216 8.603 8.360 0.045 0.000 0.548 311 S N -0.236 115.481 115.700 0.029 0.000 2.429 311 S HA -0.130 nan 4.470 nan 0.000 0.292 311 S C -0.037 174.599 174.600 0.059 0.000 1.183 311 S CA 0.096 58.317 58.200 0.036 0.000 1.088 311 S CB 0.016 63.237 63.200 0.036 0.000 1.018 311 S HN -0.584 7.531 8.310 0.027 0.210 0.511 312 K N 3.560 123.996 120.400 0.060 0.000 2.113 312 K HA -0.325 nan 4.320 nan 0.000 0.208 312 K C -0.449 176.231 176.600 0.132 0.000 1.047 312 K CA 2.327 58.660 56.287 0.077 0.000 0.928 312 K CB 0.261 32.797 32.500 0.060 0.000 0.716 312 K HN -0.043 8.230 8.250 0.038 0.000 0.446 313 N N -4.476 114.367 118.700 0.238 0.000 2.295 313 N HA 0.212 nan 4.740 nan 0.000 0.293 313 N C -0.009 175.625 175.510 0.206 0.000 1.040 313 N CA -1.347 51.851 53.050 0.247 0.000 0.840 313 N CB 2.364 41.032 38.487 0.301 0.000 1.468 313 N HN -0.457 8.087 8.380 0.273 0.000 0.478 314 V N -0.149 119.812 119.914 0.078 0.000 2.492 314 V HA 0.216 nan 4.120 nan 0.000 0.241 314 V C 1.088 177.098 176.094 -0.140 0.000 1.041 314 V CA 2.301 64.593 62.300 -0.014 0.000 1.057 314 V CB 0.220 32.053 31.823 0.016 0.000 0.711 314 V HN 0.534 8.770 8.190 0.077 0.000 0.468 315 E N 0.982 121.157 120.200 -0.041 0.000 2.285 315 E HA -0.315 nan 4.350 nan 0.000 0.194 315 E C 1.558 178.160 176.600 0.004 0.000 0.997 315 E CA 2.679 59.081 56.400 0.005 0.000 0.845 315 E CB -0.071 29.701 29.700 0.119 0.000 0.782 315 E HN -0.203 8.319 8.360 0.025 -0.148 0.491 316 Y N 0.269 120.441 120.300 -0.213 0.000 2.262 316 Y HA -0.295 nan 4.550 nan 0.000 0.295 316 Y C -0.060 175.518 175.900 -0.538 0.000 1.121 316 Y CA 3.548 61.458 58.100 -0.317 0.000 1.144 316 Y CB 0.688 38.869 38.460 -0.465 0.000 1.043 316 Y HN -0.450 8.084 8.280 0.015 -0.244 0.528 317 Y N -6.155 113.987 120.300 -0.263 0.000 2.462 317 Y HA -0.071 nan 4.550 nan 0.000 0.261 317 Y C -0.410 175.164 175.900 -0.543 0.000 1.146 317 Y CA 0.583 58.501 58.100 -0.303 0.000 1.283 317 Y CB 0.887 39.277 38.460 -0.118 0.000 1.090 317 Y HN -0.468 7.659 8.280 -0.255 0.000 0.526 318 G N -0.874 107.285 108.800 -1.068 0.000 2.553 318 G HA2 -0.425 nan 3.960 nan 0.000 0.242 318 G HA3 -0.425 nan 3.960 nan 0.000 0.242 318 G C -2.185 172.468 174.900 -0.412 0.000 1.277 318 G CA 0.094 44.254 45.100 -1.567 0.000 0.910 318 G HN -0.303 7.335 8.290 -0.927 0.095 0.576 319 S N 0.163 115.876 115.700 0.022 0.000 2.327 319 S HA 0.288 nan 4.470 nan 0.000 0.203 319 S C 0.405 175.214 174.600 0.348 0.000 1.326 319 S CA -1.449 56.851 58.200 0.167 0.000 1.248 319 S CB 0.297 63.493 63.200 -0.007 0.000 1.199 319 S HN 0.162 8.628 8.310 0.261 0.000 0.422 320 L N 6.196 127.646 121.223 0.379 0.000 2.081 320 L HA -0.422 nan 4.340 nan 0.000 0.212 320 L C 0.409 177.664 176.870 0.641 0.000 1.080 320 L CA 3.318 58.495 54.840 0.562 0.000 0.754 320 L CB -0.320 42.021 42.059 0.470 0.000 0.893 320 L HN 0.310 8.693 8.230 0.255 0.000 0.433 321 H N -0.382 118.960 119.070 0.454 0.000 2.253 321 H HA -0.440 nan 4.556 nan 0.000 0.296 321 H C 2.048 177.469 175.328 0.155 0.000 1.074 321 H CA 4.518 60.857 56.048 0.485 0.000 1.263 321 H CB -0.213 29.794 29.762 0.408 0.000 1.363 321 H HN 0.005 8.567 8.280 0.500 0.018 0.489 322 N N -0.258 118.191 118.700 -0.418 0.000 2.084 322 N HA -0.339 nan 4.740 nan 0.000 0.190 322 N C 2.176 177.277 175.510 -0.682 0.000 1.030 322 N CA 2.662 55.228 53.050 -0.808 0.000 0.849 322 N CB -0.640 37.601 38.487 -0.411 0.000 1.012 322 N HN -0.410 7.984 8.380 0.024 0.000 0.423 323 W N -0.917 120.281 121.300 -0.171 0.000 2.335 323 W HA -0.305 nan 4.660 nan 0.000 0.311 323 W C 1.890 178.272 176.519 -0.228 0.000 1.213 323 W CA 3.039 60.346 57.345 -0.063 0.000 1.274 323 W CB -0.095 29.470 29.460 0.175 0.000 1.148 323 W HN 0.348 8.511 8.180 -0.029 0.000 0.498 324 G N -3.403 105.265 108.800 -0.221 0.000 2.469 324 G HA2 -0.461 nan 3.960 nan 0.000 0.220 324 G HA3 -0.461 nan 3.960 nan 0.000 0.220 324 G C 1.156 175.507 174.900 -0.914 0.000 1.136 324 G CA 2.154 46.675 45.100 -0.966 0.000 0.759 324 G HN 0.192 8.481 8.290 -0.002 0.000 0.562 325 H N 1.611 120.114 119.070 -0.945 0.000 2.353 325 H HA -0.298 nan 4.556 nan 0.000 0.300 325 H C 2.398 177.496 175.328 -0.383 0.000 1.090 325 H CA 3.600 59.193 56.048 -0.759 0.000 1.327 325 H CB 0.245 29.272 29.762 -1.226 0.000 1.383 325 H HN -0.519 7.197 8.280 -0.721 0.131 0.508 326 V N -1.439 118.409 119.914 -0.110 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.059 178.186 176.094 0.055 0.000 1.049 326 V CA 3.814 66.177 62.300 0.105 0.000 1.003 326 V CB -0.863 31.102 31.823 0.237 0.000 0.634 326 V HN -0.400 7.576 8.190 -0.206 0.091 0.444 327 M N -2.593 117.032 119.600 0.042 0.000 2.144 327 M HA -0.418 nan 4.480 nan 0.000 0.260 327 M C 2.253 178.537 176.300 -0.028 0.000 1.067 327 M CA 3.508 58.834 55.300 0.042 0.000 1.095 327 M CB -0.296 32.352 32.600 0.081 0.000 1.365 327 M HN -0.780 7.559 8.290 0.081 0.000 0.406 328 M N -3.052 116.444 119.600 -0.172 0.000 2.562 328 M HA -0.120 nan 4.480 nan 0.000 0.257 328 M C 0.731 176.974 176.300 -0.095 0.000 1.099 328 M CA 2.389 57.567 55.300 -0.203 0.000 1.099 328 M CB 0.290 32.644 32.600 -0.410 0.000 1.427 328 M HN -0.041 8.089 8.290 -0.268 0.000 0.489 329 A N -1.562 121.233 122.820 -0.042 0.000 2.055 329 A HA 0.120 nan 4.320 nan 0.000 0.205 329 A C 0.227 177.841 177.584 0.050 0.000 1.235 329 A CA 1.893 53.944 52.037 0.023 0.000 0.822 329 A CB 0.836 19.878 19.000 0.070 0.000 0.903 329 A HN 0.116 8.059 8.150 -0.040 0.183 0.473 330 N N -1.299 117.432 118.700 0.051 0.000 2.346 330 N HA -0.059 nan 4.740 nan 0.000 0.225 330 N C 1.403 176.944 175.510 0.053 0.000 1.144 330 N CA -0.396 52.689 53.050 0.058 0.000 0.837 330 N CB -0.961 37.563 38.487 0.062 0.000 1.069 330 N HN 0.288 8.698 8.380 0.050 0.000 0.487 331 I N -1.452 119.145 120.570 0.045 0.000 2.850 331 I HA -0.238 nan 4.170 nan 0.000 0.266 331 I C 0.289 176.390 176.117 -0.027 0.000 1.257 331 I CA 1.684 63.015 61.300 0.051 0.000 1.465 331 I CB -0.142 37.901 38.000 0.072 0.000 1.091 331 I HN -0.172 7.937 8.210 0.040 0.125 0.467 332 T N -0.483 114.046 114.554 -0.042 0.000 3.009 332 T HA -0.055 nan 4.350 nan 0.000 0.258 332 T C -1.167 173.488 174.700 -0.075 0.000 1.063 332 T CA 1.213 63.245 62.100 -0.114 0.000 1.139 332 T CB 0.734 69.545 68.868 -0.094 0.000 0.890 332 T HN 0.029 8.215 8.240 -0.002 0.053 0.471 333 D N -1.430 118.983 120.400 0.021 0.000 3.117 333 D HA 0.416 nan 4.640 nan 0.000 0.241 333 D C -2.119 174.282 176.300 0.168 0.000 1.385 333 D CA -1.377 52.710 54.000 0.145 0.000 0.855 333 D CB 0.734 41.693 40.800 0.264 0.000 1.498 333 D HN -0.309 7.891 8.370 0.017 0.180 0.584 334 P HA -0.144 nan 4.420 nan 0.000 0.215 334 P C 0.867 178.253 177.300 0.143 0.000 1.157 334 P CA 1.778 64.949 63.100 0.119 0.000 0.856 334 P CB 0.128 31.895 31.700 0.112 0.000 0.786 335 D N -1.068 119.400 120.400 0.114 0.000 2.133 335 D HA -0.282 nan 4.640 nan 0.000 0.192 335 D C 0.669 177.058 176.300 0.149 0.000 1.001 335 D CA 2.230 56.287 54.000 0.096 0.000 0.844 335 D CB -0.106 40.715 40.800 0.034 0.000 0.944 335 D HN 0.332 8.752 8.370 0.083 0.000 0.447 336 H N -3.568 115.518 119.070 0.028 0.000 3.151 336 H HA -0.271 nan 4.556 nan 0.000 0.230 336 H C 0.454 175.784 175.328 0.004 0.000 1.186 336 H CA 0.760 56.831 56.048 0.038 0.000 1.124 336 H CB -1.125 28.654 29.762 0.029 0.000 1.208 336 H HN -0.487 8.059 8.280 0.170 -0.163 0.318 337 R N -2.431 117.986 120.500 -0.138 0.000 2.140 337 R HA -0.357 nan 4.340 nan 0.000 0.250 337 R C 0.743 176.864 176.300 -0.299 0.000 1.150 337 R CA 2.633 58.579 56.100 -0.258 0.000 0.966 337 R CB -0.931 29.145 30.300 -0.373 0.000 0.869 337 R HN -0.293 8.057 8.270 -0.072 -0.123 0.445 338 F N -4.332 115.478 119.950 -0.234 0.000 2.234 338 F HA -0.074 nan 4.527 nan 0.000 0.296 338 F C -0.502 175.127 175.800 -0.284 0.000 1.089 338 F CA 0.668 58.540 58.000 -0.213 0.000 1.343 338 F CB 0.662 39.569 39.000 -0.154 0.000 1.040 338 F HN -0.779 7.705 8.300 -0.110 -0.250 0.498 339 Q N -4.973 114.588 119.800 -0.399 0.000 2.493 339 Q HA -0.308 nan 4.340 nan 0.000 0.260 339 Q C -0.797 175.169 176.000 -0.057 0.000 0.905 339 Q CA 0.546 56.110 55.803 -0.398 0.000 1.140 339 Q CB -2.041 26.606 28.738 -0.152 0.000 1.435 339 Q HN 0.031 7.985 8.270 -0.729 -0.122 0.581 340 E N -0.900 119.309 120.200 0.016 0.000 2.376 340 E HA -0.108 nan 4.350 nan 0.000 0.266 340 E C -0.496 176.179 176.600 0.124 0.000 1.009 340 E CA 0.177 56.606 56.400 0.047 0.000 0.902 340 E CB 0.644 30.335 29.700 -0.015 0.000 0.972 340 E HN -0.457 7.857 8.360 -0.011 0.039 0.439 341 N N 6.242 124.952 118.700 0.016 0.000 2.434 341 N HA 0.139 nan 4.740 nan 0.000 0.268 341 N C -1.974 173.529 175.510 -0.013 0.000 1.256 341 N CA -1.336 51.681 53.050 -0.054 0.000 0.914 341 N CB -0.796 37.553 38.487 -0.231 0.000 1.088 341 N HN 0.254 8.621 8.380 -0.022 0.000 0.478 342 P HA -0.068 nan 4.420 nan 0.000 0.271 342 P C -0.413 176.998 177.300 0.184 0.000 1.238 342 P CA -0.008 63.143 63.100 0.086 0.000 0.794 342 P CB 0.652 32.386 31.700 0.057 0.000 0.959 343 G N -1.054 107.835 108.800 0.148 0.000 2.432 343 G HA2 -0.096 nan 3.960 nan 0.000 0.239 343 G HA3 -0.096 nan 3.960 nan 0.000 0.239 343 G C 1.060 176.061 174.900 0.168 0.000 1.291 343 G CA -0.684 44.510 45.100 0.156 0.000 0.863 343 G HN 0.069 8.420 8.290 0.102 0.000 0.560 344 V N -1.568 118.401 119.914 0.092 0.000 3.099 344 V HA -0.428 nan 4.120 nan 0.000 0.269 344 V C 1.388 177.497 176.094 0.025 0.000 1.150 344 V CA 2.090 64.361 62.300 -0.048 0.000 1.165 344 V CB -0.840 30.852 31.823 -0.220 0.000 0.756 344 V HN 0.659 8.898 8.190 0.082 0.000 0.527 345 M N 1.162 120.817 119.600 0.091 0.000 2.562 345 M HA -0.128 nan 4.480 nan 0.000 0.257 345 M C 1.311 177.860 176.300 0.416 0.000 1.099 345 M CA 1.243 56.657 55.300 0.189 0.000 1.099 345 M CB -1.024 31.589 32.600 0.021 0.000 1.427 345 M HN -0.155 8.082 8.290 0.083 0.103 0.489 346 S N -0.114 115.774 115.700 0.313 0.000 2.481 346 S HA -0.219 nan 4.470 nan 0.000 0.231 346 S C -0.815 173.868 174.600 0.138 0.000 0.996 346 S CA 3.104 61.491 58.200 0.313 0.000 0.942 346 S CB -0.046 63.227 63.200 0.122 0.000 0.768 346 S HN -0.320 8.065 8.310 0.219 0.057 0.520 347 D N -2.385 118.139 120.400 0.206 0.000 2.490 347 D HA 0.175 nan 4.640 nan 0.000 0.232 347 D C -0.274 176.212 176.300 0.310 0.000 1.053 347 D CA -0.961 53.146 54.000 0.178 0.000 0.914 347 D CB 2.597 43.511 40.800 0.191 0.000 1.431 347 D HN -0.979 7.476 8.370 0.243 0.061 0.483 348 T N 0.937 115.734 114.554 0.406 0.000 3.035 348 T HA 0.067 nan 4.350 nan 0.000 0.259 348 T C 1.694 176.710 174.700 0.526 0.000 1.078 348 T CA 2.281 64.727 62.100 0.577 0.000 1.132 348 T CB -0.452 68.745 68.868 0.548 0.000 0.900 348 T HN 0.509 8.995 8.240 0.410 0.000 0.480 349 S N 0.843 116.791 115.700 0.415 0.000 2.406 349 S HA -0.130 nan 4.470 nan 0.000 0.228 349 S C 1.406 175.852 174.600 -0.257 0.000 1.020 349 S CA 3.424 61.685 58.200 0.101 0.000 0.965 349 S CB 0.206 63.402 63.200 -0.007 0.000 0.798 349 S HN -0.288 8.760 8.310 0.522 -0.425 0.488 350 T N -1.227 113.195 114.554 -0.221 0.000 2.939 350 T HA 0.266 nan 4.350 nan 0.000 0.254 350 T C 2.102 176.581 174.700 -0.367 0.000 1.041 350 T CA 2.259 64.144 62.100 -0.357 0.000 1.142 350 T CB 0.328 68.962 68.868 -0.390 0.000 0.874 350 T HN -0.242 8.231 8.240 -0.072 -0.276 0.452 351 S N 4.020 119.549 115.700 -0.285 0.000 2.575 351 S HA -0.466 nan 4.470 nan 0.000 0.304 351 S C 1.385 175.373 174.600 -1.020 0.000 1.237 351 S CA 3.057 60.986 58.200 -0.451 0.000 1.122 351 S CB -1.185 61.918 63.200 -0.162 0.000 1.073 351 S HN -0.047 8.194 8.310 -0.115 0.000 0.450 352 L N -0.468 120.098 121.223 -1.096 0.000 2.567 352 L HA 0.089 nan 4.340 nan 0.000 0.225 352 L C 1.292 177.807 176.870 -0.591 0.000 1.119 352 L CA 1.301 55.400 54.840 -1.237 0.000 0.871 352 L CB -0.286 41.197 42.059 -0.959 0.000 1.036 352 L HN -0.678 7.028 8.230 -0.793 0.049 0.459 353 R N -0.332 119.902 120.500 -0.443 0.000 2.062 353 R HA -0.242 nan 4.340 nan 0.000 0.229 353 R C 0.032 175.992 176.300 -0.567 0.000 1.128 353 R CA 2.417 58.340 56.100 -0.295 0.000 0.960 353 R CB -0.510 29.745 30.300 -0.075 0.000 0.855 353 R HN -0.738 7.204 8.270 -0.470 0.047 0.432 354 D N 1.087 121.123 120.400 -0.608 0.000 2.382 354 D HA 0.208 nan 4.640 nan 0.000 0.259 354 D C -0.759 175.332 176.300 -0.348 0.000 1.224 354 D CA -2.570 51.011 54.000 -0.697 0.000 0.894 354 D CB 0.336 40.987 40.800 -0.247 0.000 1.127 354 D HN -0.540 7.572 8.370 -0.429 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.780 178.156 177.300 0.127 0.000 1.148 355 P CA 2.206 65.325 63.100 0.032 0.000 0.828 355 P CB -0.014 31.707 31.700 0.034 0.000 0.783 356 I N -5.312 115.277 120.570 0.033 0.000 2.567 356 I HA -0.406 nan 4.170 nan 0.000 0.257 356 I C 1.008 177.116 176.117 -0.014 0.000 1.184 356 I CA 2.321 63.636 61.300 0.025 0.000 1.451 356 I CB -0.745 37.234 38.000 -0.035 0.000 1.089 356 I HN -0.860 7.316 8.210 -0.020 0.022 0.441 357 F N 2.238 122.009 119.950 -0.298 0.000 2.085 357 F HA -0.593 nan 4.527 nan 0.000 0.299 357 F C 0.645 176.070 175.800 -0.625 0.000 1.096 357 F CA 4.577 62.233 58.000 -0.573 0.000 1.227 357 F CB 0.037 38.499 39.000 -0.897 0.000 0.983 357 F HN -0.363 7.796 8.300 -0.019 0.130 0.482 358 Y N -5.285 114.909 120.300 -0.178 0.000 2.395 358 Y HA -0.342 nan 4.550 nan 0.000 0.293 358 Y C 1.896 177.811 175.900 0.026 0.000 1.123 358 Y CA 3.050 61.053 58.100 -0.162 0.000 1.227 358 Y CB -0.630 37.738 38.460 -0.152 0.000 1.012 358 Y HN -0.686 7.511 8.280 -0.113 0.015 0.552 359 R N 0.839 121.454 120.500 0.192 0.000 2.073 359 R HA -0.393 nan 4.340 nan 0.000 0.234 359 R C 2.174 178.620 176.300 0.242 0.000 1.134 359 R CA 3.634 59.864 56.100 0.217 0.000 0.952 359 R CB -0.398 30.026 30.300 0.207 0.000 0.850 359 R HN -0.365 7.849 8.270 0.153 0.147 0.433 360 W N -1.567 119.761 121.300 0.047 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.776 177.448 176.519 0.255 0.000 1.231 360 W CA 3.646 61.072 57.345 0.135 0.000 1.248 360 W CB 0.216 29.648 29.460 -0.047 0.000 1.117 360 W HN -0.262 8.056 8.180 0.229 0.000 0.568 361 H N -1.758 117.304 119.070 -0.014 0.000 2.525 361 H HA 0.038 nan 4.556 nan 0.000 0.275 361 H C 2.892 178.239 175.328 0.032 0.000 0.984 361 H CA 2.867 58.890 56.048 -0.042 0.000 1.264 361 H CB 0.097 29.738 29.762 -0.201 0.000 1.432 361 H HN -0.584 7.683 8.280 0.297 0.191 0.549 362 R N -0.021 120.600 120.500 0.201 0.000 2.119 362 R HA -0.186 nan 4.340 nan 0.000 0.222 362 R C 1.689 178.062 176.300 0.122 0.000 1.088 362 R CA 1.853 58.054 56.100 0.168 0.000 0.984 362 R CB -0.882 29.527 30.300 0.181 0.000 0.884 362 R HN 0.263 8.667 8.270 0.223 0.000 0.447 363 F N 1.891 121.763 119.950 -0.129 0.000 2.051 363 F HA -0.297 nan 4.527 nan 0.000 0.296 363 F C 1.582 177.200 175.800 -0.304 0.000 1.122 363 F CA 2.731 60.559 58.000 -0.287 0.000 1.201 363 F CB -0.192 38.463 39.000 -0.574 0.000 0.978 363 F HN -0.793 7.463 8.300 0.148 0.133 0.472 364 I N -4.732 115.532 120.570 -0.510 0.000 2.208 364 I HA -0.614 nan 4.170 nan 0.000 0.245 364 I C 1.313 177.357 176.117 -0.123 0.000 1.097 364 I CA 3.696 64.728 61.300 -0.446 0.000 1.363 364 I CB -0.739 37.149 38.000 -0.186 0.000 1.051 364 I HN -0.073 7.863 8.210 -0.457 0.000 0.413 365 D N 0.204 120.667 120.400 0.105 0.000 2.149 365 D HA -0.381 nan 4.640 nan 0.000 0.198 365 D C 2.063 178.439 176.300 0.127 0.000 0.990 365 D CA 3.713 57.889 54.000 0.293 0.000 0.839 365 D CB -0.146 40.806 40.800 0.253 0.000 0.948 365 D HN -0.429 7.972 8.370 0.051 0.000 0.460 366 N N -0.952 117.741 118.700 -0.011 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.598 178.018 175.510 -0.150 0.000 1.019 366 N CA 3.177 56.202 53.050 -0.042 0.000 0.856 366 N CB -0.117 38.376 38.487 0.010 0.000 0.993 366 N HN 0.059 8.184 8.380 -0.044 0.229 0.426 367 I N 0.352 120.726 120.570 -0.326 0.000 2.142 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.635 177.540 176.117 -0.354 0.000 1.078 367 I CA 4.229 65.281 61.300 -0.414 0.000 1.343 367 I CB -0.171 37.450 38.000 -0.633 0.000 1.046 367 I HN -0.568 7.287 8.210 -0.412 0.108 0.405 368 F N -1.225 118.556 119.950 -0.282 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.290 177.840 175.800 -0.416 0.000 1.089 368 F CA 4.068 61.814 58.000 -0.423 0.000 1.282 368 F CB -0.986 37.568 39.000 -0.742 0.000 1.010 368 F HN -0.354 7.743 8.300 -0.338 0.000 0.485 369 Q N -2.254 117.497 119.800 -0.082 0.000 2.124 369 Q HA -0.358 nan 4.340 nan 0.000 0.202 369 Q C 2.883 178.809 176.000 -0.123 0.000 0.977 369 Q CA 3.190 58.949 55.803 -0.072 0.000 0.850 369 Q CB -0.827 27.914 28.738 0.004 0.000 0.901 369 Q HN 0.630 8.770 8.270 -0.015 0.122 0.429 370 E N -0.042 120.075 120.200 -0.137 0.000 2.110 370 E HA -0.390 nan 4.350 nan 0.000 0.193 370 E C 2.330 178.803 176.600 -0.210 0.000 0.988 370 E CA 3.013 59.322 56.400 -0.152 0.000 0.804 370 E CB -0.283 29.331 29.700 -0.145 0.000 0.745 370 E HN -0.180 8.006 8.360 -0.137 0.092 0.458 371 H N 0.524 119.368 119.070 -0.376 0.000 2.357 371 H HA -0.168 nan 4.556 nan 0.000 0.301 371 H C 2.432 177.181 175.328 -0.966 0.000 1.082 371 H CA 2.709 58.417 56.048 -0.567 0.000 1.342 371 H CB 0.066 29.566 29.762 -0.437 0.000 1.389 371 H HN -0.523 7.564 8.280 -0.156 0.099 0.511 372 K N -1.986 117.999 120.400 -0.692 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.525 178.896 176.600 -0.381 0.000 1.049 372 K CA 2.070 58.049 56.287 -0.512 0.000 0.933 372 K CB -0.537 31.872 32.500 -0.151 0.000 0.717 372 K HN -0.071 7.935 8.250 -0.407 0.000 0.442 373 K N -1.726 118.499 120.400 -0.291 0.000 2.097 373 K HA -0.182 nan 4.320 nan 0.000 0.206 373 K C 2.316 178.780 176.600 -0.226 0.000 1.049 373 K CA 2.429 58.597 56.287 -0.197 0.000 0.933 373 K CB 0.197 32.614 32.500 -0.138 0.000 0.717 373 K HN -0.113 7.782 8.250 -0.275 0.190 0.442 374 S N -2.154 113.371 115.700 -0.291 0.000 2.453 374 S HA -0.142 nan 4.470 nan 0.000 0.231 374 S C 0.600 175.071 174.600 -0.216 0.000 1.005 374 S CA 1.987 60.064 58.200 -0.205 0.000 0.949 374 S CB 0.415 63.593 63.200 -0.036 0.000 0.774 374 S HN -0.384 7.713 8.310 -0.355 0.000 0.510 375 F N 2.779 122.592 119.950 -0.230 0.000 2.496 375 F HA -0.019 nan 4.527 nan 0.000 0.344 375 F C -0.035 175.560 175.800 -0.342 0.000 1.155 375 F CA -0.140 57.706 58.000 -0.257 0.000 1.302 375 F CB -0.070 38.808 39.000 -0.203 0.000 1.159 375 F HN -0.821 6.992 8.300 -0.682 0.078 0.595 376 H N 1.136 120.247 119.070 0.068 0.000 2.511 376 H HA 0.147 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.795 175.328 -0.168 0.000 1.128 376 H CA -0.995 55.031 56.048 -0.038 0.000 1.342 376 H CB -0.064 29.680 29.762 -0.030 0.000 1.470 376 H HN 0.238 8.629 8.280 0.185 0.000 0.546 377 P HA -0.165 nan 4.420 nan 0.000 0.271 377 P C -1.227 175.969 177.300 -0.173 0.000 1.228 377 P CA 0.674 63.707 63.100 -0.112 0.000 0.797 377 P CB 0.425 32.146 31.700 0.035 0.000 0.914 378 Y N -0.595 119.786 120.300 0.135 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.302 176.230 175.900 0.047 0.000 1.035 378 Y CA 0.358 58.511 58.100 0.088 0.000 1.165 378 Y CB 0.342 38.829 38.460 0.045 0.000 1.181 378 Y HN 0.240 8.614 8.280 0.158 0.000 0.494 379 T N 4.901 119.586 114.554 0.217 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.087 175.823 174.700 0.059 0.000 1.071 379 T CA -0.033 62.132 62.100 0.108 0.000 1.128 379 T CB 0.541 69.458 68.868 0.082 0.000 0.984 379 T HN 0.321 8.708 8.240 0.247 0.000 0.549 380 K N 3.884 124.291 120.400 0.011 0.000 2.103 380 K HA -0.463 nan 4.320 nan 0.000 0.207 380 K C 2.146 178.731 176.600 -0.025 0.000 1.048 380 K CA 3.875 60.139 56.287 -0.038 0.000 0.930 380 K CB -0.111 32.373 32.500 -0.028 0.000 0.716 380 K HN 0.440 8.704 8.250 0.024 0.000 0.444 381 E N -0.215 119.987 120.200 0.004 0.000 2.035 381 E HA -0.303 nan 4.350 nan 0.000 0.204 381 E C 2.251 178.862 176.600 0.018 0.000 1.025 381 E CA 3.257 59.665 56.400 0.013 0.000 0.835 381 E CB -0.501 29.211 29.700 0.020 0.000 0.764 381 E HN 0.096 8.460 8.360 0.012 0.002 0.457 382 E N -1.400 118.823 120.200 0.038 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.114 177.717 176.600 0.005 0.000 0.994 382 E CA 2.259 58.689 56.400 0.050 0.000 0.801 382 E CB -0.747 29.041 29.700 0.148 0.000 0.743 382 E HN 0.136 8.529 8.360 0.055 0.000 0.453 383 L N -4.859 116.327 121.223 -0.063 0.000 2.465 383 L HA -0.114 nan 4.340 nan 0.000 0.224 383 L C 0.005 176.818 176.870 -0.095 0.000 1.145 383 L CA 0.866 55.600 54.840 -0.177 0.000 0.834 383 L CB 0.251 42.107 42.059 -0.339 0.000 0.944 383 L HN -0.387 7.725 8.230 -0.040 0.093 0.451 384 S N -1.080 114.607 115.700 -0.020 0.000 2.420 384 S HA 0.092 nan 4.470 nan 0.000 0.313 384 S C -1.438 173.243 174.600 0.135 0.000 1.079 384 S CA -0.249 57.974 58.200 0.038 0.000 1.104 384 S CB 0.465 63.673 63.200 0.013 0.000 0.969 384 S HN -0.491 7.623 8.310 -0.014 0.188 0.471 385 F N 8.618 128.550 119.950 -0.029 0.000 2.487 385 F HA 0.185 nan 4.527 nan 0.000 0.364 385 F C -2.001 173.794 175.800 -0.009 0.000 1.126 385 F CA -3.328 54.664 58.000 -0.012 0.000 1.135 385 F CB 0.298 39.296 39.000 -0.003 0.000 1.127 385 F HN 0.238 8.977 8.300 0.239 -0.296 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.394 176.776 177.300 -0.217 0.000 1.205 386 P CA 0.470 63.522 63.100 -0.079 0.000 0.765 386 P CB 0.137 31.814 31.700 -0.038 0.000 0.828 387 G N 2.080 110.785 108.800 -0.157 0.000 2.336 387 G HA2 -0.361 nan 3.960 nan 0.000 0.233 387 G HA3 -0.361 nan 3.960 nan 0.000 0.233 387 G C -0.982 173.806 174.900 -0.187 0.000 1.053 387 G CA 0.371 45.373 45.100 -0.162 0.000 0.625 387 G HN 0.363 8.593 8.290 -0.101 0.000 0.511 388 V N 2.956 122.693 119.914 -0.296 0.000 2.455 388 V HA 0.009 nan 4.120 nan 0.000 0.273 388 V C -1.060 174.990 176.094 -0.073 0.000 1.045 388 V CA -0.150 62.018 62.300 -0.220 0.000 0.976 388 V CB -0.209 31.376 31.823 -0.397 0.000 0.993 388 V HN -0.696 7.158 8.190 -0.424 0.081 0.475 389 E N 8.044 128.227 120.200 -0.028 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.256 176.366 176.600 0.037 0.000 0.900 389 E CA -1.698 54.707 56.400 0.009 0.000 0.755 389 E CB 2.800 32.501 29.700 0.002 0.000 1.117 389 E HN 0.231 8.441 8.360 -0.035 0.129 0.410 390 V N 9.062 129.012 119.914 0.061 0.000 2.415 390 V HA -0.165 nan 4.120 nan 0.000 0.252 390 V C 0.062 176.192 176.094 0.061 0.000 1.043 390 V CA 1.704 64.049 62.300 0.075 0.000 1.149 390 V CB -1.850 30.033 31.823 0.100 0.000 1.143 390 V HN 0.749 8.980 8.190 0.067 0.000 0.478 391 V N 7.445 127.390 119.914 0.052 0.000 3.305 391 V HA -0.048 nan 4.120 nan 0.000 0.269 391 V C 0.309 176.432 176.094 0.049 0.000 1.157 391 V CA 0.599 62.925 62.300 0.043 0.000 1.157 391 V CB -0.396 31.448 31.823 0.035 0.000 0.772 391 V HN 0.546 8.672 8.190 0.052 0.096 0.498 392 G N -3.380 105.458 108.800 0.063 0.000 2.361 392 G HA2 -0.115 nan 3.960 nan 0.000 0.305 392 G HA3 -0.115 nan 3.960 nan 0.000 0.305 392 G C -3.097 171.858 174.900 0.092 0.000 1.367 392 G CA 0.171 45.313 45.100 0.070 0.000 0.951 392 G HN -0.701 7.603 8.290 0.070 0.028 0.615 393 V N -1.981 117.997 119.914 0.107 0.000 3.160 393 V HA 0.780 nan 4.120 nan 0.000 0.310 393 V C -1.421 174.746 176.094 0.122 0.000 1.181 393 V CA -2.242 60.144 62.300 0.144 0.000 1.047 393 V CB 3.537 35.488 31.823 0.213 0.000 1.068 393 V HN 0.200 8.447 8.190 0.095 0.000 0.441 394 S N -1.031 114.746 115.700 0.128 0.000 2.552 394 S HA 0.515 nan 4.470 nan 0.000 0.272 394 S C -2.198 172.454 174.600 0.088 0.000 1.150 394 S CA -0.416 57.842 58.200 0.096 0.000 0.849 394 S CB 4.084 67.323 63.200 0.064 0.000 1.113 394 S HN -0.147 8.251 8.310 0.146 0.000 0.458 395 I N -1.986 118.630 120.570 0.076 0.000 2.404 395 I HA 0.625 nan 4.170 nan 0.000 0.293 395 I C -2.048 174.105 176.117 0.061 0.000 0.992 395 I CA -2.052 59.290 61.300 0.070 0.000 1.149 395 I CB 1.671 39.767 38.000 0.160 0.000 1.315 395 I HN 0.673 9.272 8.210 0.073 -0.345 0.446 396 N N 7.070 125.800 118.700 0.050 0.000 2.558 396 N HA 0.363 nan 4.740 nan 0.000 0.242 396 N C -0.739 174.812 175.510 0.070 0.000 0.979 396 N CA -0.269 52.807 53.050 0.044 0.000 0.931 396 N CB 0.876 39.377 38.487 0.024 0.000 1.122 396 N HN -0.144 8.251 8.380 0.024 0.000 0.508 397 S N 6.857 122.594 115.700 0.062 0.000 3.320 397 S HA 0.082 nan 4.470 nan 0.000 0.185 397 S C 0.159 174.778 174.600 0.032 0.000 1.028 397 S CA 1.030 59.268 58.200 0.063 0.000 1.641 397 S CB 0.752 63.961 63.200 0.015 0.000 0.630 397 S HN 0.442 8.775 8.310 0.038 0.000 0.555 398 K N 1.021 121.426 120.400 0.008 0.000 2.148 398 K HA -0.123 nan 4.320 nan 0.000 0.204 398 K C -0.579 176.020 176.600 -0.002 0.000 1.050 398 K CA 1.779 58.065 56.287 -0.002 0.000 0.942 398 K CB 0.493 32.981 32.500 -0.019 0.000 0.724 398 K HN -0.237 8.423 8.250 0.001 -0.410 0.446 399 T N -0.759 113.794 114.554 -0.002 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.260 172.444 174.700 0.007 0.000 1.070 399 T CA -1.886 60.214 62.100 0.000 0.000 1.010 399 T CB 3.280 72.144 68.868 -0.006 0.000 1.264 399 T HN -0.693 7.526 8.240 -0.004 0.019 0.532 400 A N -0.269 122.556 122.820 0.009 0.000 2.407 400 A HA 0.108 nan 4.320 nan 0.000 0.248 400 A C 0.138 177.730 177.584 0.012 0.000 1.082 400 A CA 0.461 52.508 52.037 0.016 0.000 0.785 400 A CB 0.019 19.030 19.000 0.018 0.000 1.020 400 A HN 0.111 8.265 8.150 0.008 0.000 0.489 401 N N -1.953 116.759 118.700 0.019 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.261 174.248 175.510 -0.002 0.000 1.119 401 N CA 1.412 54.472 53.050 0.017 0.000 0.718 401 N CB -1.587 36.917 38.487 0.029 0.000 1.060 401 N HN 0.080 8.477 8.380 0.029 0.000 0.552 402 V N -9.448 110.452 119.914 -0.023 0.000 2.769 402 V HA 0.806 nan 4.120 nan 0.000 0.312 402 V C -1.806 174.226 176.094 -0.103 0.000 1.061 402 V CA -2.819 59.453 62.300 -0.047 0.000 0.931 402 V CB 3.668 35.471 31.823 -0.033 0.000 1.010 402 V HN -0.843 7.270 8.190 -0.018 0.067 0.433 403 I N 2.937 123.407 120.570 -0.167 0.000 2.693 403 I HA 0.431 nan 4.170 nan 0.000 0.303 403 I C -2.117 173.922 176.117 -0.129 0.000 1.025 403 I CA -2.105 59.062 61.300 -0.222 0.000 1.086 403 I CB 3.493 41.206 38.000 -0.479 0.000 1.268 403 I HN 0.620 8.631 8.210 -0.157 0.105 0.440 404 T N 7.453 121.958 114.554 -0.083 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.246 173.452 174.700 -0.003 0.000 0.992 404 T CA -0.624 61.453 62.100 -0.039 0.000 0.957 404 T CB 1.574 70.416 68.868 -0.043 0.000 0.942 404 T HN 0.165 8.358 8.240 -0.079 0.000 0.439 405 T N 7.725 122.303 114.554 0.039 0.000 2.918 405 T HA 0.664 nan 4.350 nan 0.000 0.283 405 T C -1.762 172.975 174.700 0.062 0.000 1.001 405 T CA -1.936 60.234 62.100 0.115 0.000 1.041 405 T CB 1.100 70.089 68.868 0.201 0.000 1.028 405 T HN 0.627 8.893 8.240 0.043 0.000 0.511 406 L N 1.291 122.577 121.223 0.105 0.000 2.301 406 L HA 0.648 nan 4.340 nan 0.000 0.249 406 L C -1.472 175.502 176.870 0.174 0.000 1.069 406 L CA -1.296 53.554 54.840 0.016 0.000 0.865 406 L CB 3.795 45.862 42.059 0.012 0.000 1.467 406 L HN -0.289 7.949 8.230 0.192 0.108 0.419 407 I N -0.492 120.140 120.570 0.104 0.000 2.392 407 I HA 0.418 nan 4.170 nan 0.000 0.295 407 I C -1.807 174.307 176.117 -0.005 0.000 0.985 407 I CA -2.112 59.279 61.300 0.151 0.000 1.221 407 I CB 1.373 39.498 38.000 0.207 0.000 1.366 407 I HN 0.216 8.426 8.210 -0.000 0.000 0.467 408 K N 8.800 129.084 120.400 -0.193 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.323 174.962 176.600 -0.525 0.000 0.948 408 K CA -1.656 54.407 56.287 -0.375 0.000 0.827 408 K CB 2.593 34.804 32.500 -0.480 0.000 1.128 408 K HN 0.841 8.842 8.250 -0.235 0.108 0.429 409 E N 5.620 125.629 120.200 -0.318 0.000 2.398 409 E HA 0.090 nan 4.350 nan 0.000 0.263 409 E C -1.048 175.232 176.600 -0.533 0.000 1.046 409 E CA 0.547 56.667 56.400 -0.468 0.000 0.908 409 E CB 0.406 29.891 29.700 -0.359 0.000 0.963 409 E HN 0.390 8.639 8.360 -0.185 0.000 0.431 410 S N 1.714 116.970 115.700 -0.740 0.000 2.727 410 S HA 0.380 nan 4.470 nan 0.000 0.278 410 S C -2.067 172.088 174.600 -0.742 0.000 1.186 410 S CA -0.953 56.814 58.200 -0.721 0.000 0.836 410 S CB 2.693 65.418 63.200 -0.792 0.000 1.186 410 S HN 0.420 8.223 8.310 -0.845 0.000 0.499 411 L N -0.453 120.539 121.223 -0.385 0.000 2.309 411 L HA 0.594 nan 4.340 nan 0.000 0.261 411 L C -2.151 174.828 176.870 0.182 0.000 1.021 411 L CA -1.042 53.746 54.840 -0.088 0.000 0.823 411 L CB 3.311 45.336 42.059 -0.057 0.000 1.366 411 L HN 0.419 8.480 8.230 -0.281 0.000 0.423 412 L N -0.602 120.731 121.223 0.184 0.000 2.543 412 L HA 0.262 nan 4.340 nan 0.000 0.265 412 L C -2.247 174.676 176.870 0.088 0.000 0.945 412 L CA 0.138 55.068 54.840 0.149 0.000 0.869 412 L CB 3.566 45.720 42.059 0.159 0.000 1.294 412 L HN -0.170 8.139 8.230 0.132 0.000 0.405 413 E N 6.507 126.744 120.200 0.061 0.000 1.941 413 E HA 0.207 nan 4.350 nan 0.000 0.275 413 E C 0.727 177.400 176.600 0.122 0.000 1.113 413 E CA -0.887 55.569 56.400 0.093 0.000 0.878 413 E CB 0.013 29.787 29.700 0.123 0.000 1.070 413 E HN 0.287 8.665 8.360 0.031 0.000 0.399 414 L N 6.763 128.045 121.223 0.099 0.000 2.083 414 L HA -0.387 nan 4.340 nan 0.000 0.209 414 L C 1.608 178.545 176.870 0.112 0.000 1.083 414 L CA 3.005 57.905 54.840 0.099 0.000 0.752 414 L CB -0.374 41.744 42.059 0.097 0.000 0.899 414 L HN 0.986 9.268 8.230 0.086 0.000 0.433 415 S N -0.730 115.041 115.700 0.118 0.000 2.434 415 S HA -0.486 nan 4.470 nan 0.000 0.250 415 S C 2.221 176.843 174.600 0.037 0.000 1.102 415 S CA 3.440 61.732 58.200 0.154 0.000 1.104 415 S CB -0.596 62.552 63.200 -0.086 0.000 0.957 415 S HN -0.202 8.166 8.310 0.097 0.000 0.456 416 H N -0.205 118.819 119.070 -0.078 0.000 2.326 416 H HA -0.146 nan 4.556 nan 0.000 0.301 416 H C 1.951 177.153 175.328 -0.211 0.000 1.081 416 H CA 2.959 58.833 56.048 -0.289 0.000 1.334 416 H CB 0.140 29.613 29.762 -0.482 0.000 1.385 416 H HN -0.839 7.485 8.280 0.132 0.034 0.504 417 G N -2.886 105.911 108.800 -0.006 0.000 2.404 417 G HA2 -0.134 nan 3.960 nan 0.000 0.214 417 G HA3 -0.134 nan 3.960 nan 0.000 0.214 417 G C -0.271 174.625 174.900 -0.008 0.000 1.189 417 G CA 0.946 46.018 45.100 -0.047 0.000 0.789 417 G HN -0.264 8.057 8.290 0.052 0.000 0.533 418 I N -3.739 116.864 120.570 0.055 0.000 3.076 418 I HA 0.447 nan 4.170 nan 0.000 0.313 418 I C -1.934 174.230 176.117 0.078 0.000 1.053 418 I CA -3.336 57.999 61.300 0.059 0.000 1.048 418 I CB 2.183 40.221 38.000 0.063 0.000 1.264 418 I HN -0.320 7.828 8.210 0.076 0.108 0.498 419 N N 1.583 120.271 118.700 -0.020 0.000 2.415 419 N HA -0.059 nan 4.740 nan 0.000 0.250 419 N C -0.052 175.383 175.510 -0.125 0.000 1.127 419 N CA -0.549 52.387 53.050 -0.190 0.000 0.945 419 N CB -0.658 37.644 38.487 -0.308 0.000 1.196 419 N HN -0.013 8.350 8.380 -0.029 0.000 0.499 420 F N 1.537 121.506 119.950 0.032 0.000 2.161 420 F HA -0.142 nan 4.527 nan 0.000 0.300 420 F C 1.380 177.179 175.800 -0.001 0.000 1.089 420 F CA 0.800 58.808 58.000 0.013 0.000 1.282 420 F CB -0.197 38.807 39.000 0.006 0.000 1.010 420 F HN -0.343 7.853 8.300 -0.173 0.000 0.485 421 G N -0.560 108.042 108.800 -0.330 0.000 3.548 421 G HA2 -0.551 nan 3.960 nan 0.000 0.224 421 G HA3 -0.551 nan 3.960 nan 0.000 0.224 421 G C 0.426 175.371 174.900 0.076 0.000 1.351 421 G CA 1.552 46.544 45.100 -0.180 0.000 0.905 421 G HN -0.245 7.540 8.290 -1.018 -0.105 0.561 422 T N 0.638 115.331 114.554 0.232 0.000 3.348 422 T HA 0.130 nan 4.350 nan 0.000 0.233 422 T C 0.246 175.110 174.700 0.274 0.000 0.960 422 T CA 0.191 62.427 62.100 0.227 0.000 1.343 422 T CB 0.917 69.858 68.868 0.121 0.000 1.068 422 T HN 0.185 8.490 8.240 0.193 0.051 0.410 423 D N 2.273 122.789 120.400 0.194 0.000 2.352 423 D HA -0.111 nan 4.640 nan 0.000 0.238 423 D C 0.473 176.658 176.300 -0.192 0.000 1.286 423 D CA 0.144 54.159 54.000 0.026 0.000 0.923 423 D CB 0.510 41.328 40.800 0.029 0.000 1.146 423 D HN -0.361 8.147 8.370 0.230 0.000 0.471 424 Q N -1.234 118.444 119.800 -0.203 0.000 2.016 424 Q HA -0.143 nan 4.340 nan 0.000 0.200 424 Q C 0.368 176.119 176.000 -0.415 0.000 0.978 424 Q CA 2.304 57.914 55.803 -0.320 0.000 0.833 424 Q CB 0.702 29.333 28.738 -0.179 0.000 0.895 424 Q HN -0.047 8.153 8.270 -0.115 0.000 0.427 425 S N -4.028 111.538 115.700 -0.224 0.000 2.543 425 S HA 0.184 nan 4.470 nan 0.000 0.273 425 S C -2.566 172.003 174.600 -0.051 0.000 1.152 425 S CA -0.138 57.974 58.200 -0.146 0.000 0.910 425 S CB 2.606 65.748 63.200 -0.097 0.000 1.105 425 S HN -0.685 7.642 8.310 -0.152 -0.109 0.465 426 V N 1.567 121.482 119.914 0.001 0.000 2.409 426 V HA 0.767 nan 4.120 nan 0.000 0.291 426 V C -1.597 174.524 176.094 0.045 0.000 1.020 426 V CA -2.726 59.598 62.300 0.039 0.000 0.848 426 V CB 1.420 33.289 31.823 0.077 0.000 0.990 426 V HN 0.710 8.901 8.190 0.002 0.000 0.430 427 K N 4.882 125.304 120.400 0.037 0.000 2.270 427 K HA 0.733 nan 4.320 nan 0.000 0.255 427 K C -2.073 174.560 176.600 0.054 0.000 0.936 427 K CA -2.528 53.783 56.287 0.040 0.000 0.809 427 K CB 2.968 35.475 32.500 0.012 0.000 1.131 427 K HN 0.681 8.847 8.250 0.031 0.103 0.427 428 V N 4.142 124.107 119.914 0.086 0.000 2.318 428 V HA 0.285 nan 4.120 nan 0.000 0.271 428 V C -1.500 174.662 176.094 0.113 0.000 1.030 428 V CA -2.425 59.944 62.300 0.114 0.000 0.844 428 V CB 0.684 32.598 31.823 0.151 0.000 1.015 428 V HN 0.070 8.319 8.190 0.099 0.000 0.460 429 K N 11.303 131.713 120.400 0.017 0.000 2.363 429 K HA 0.061 nan 4.320 nan 0.000 0.289 429 K C -1.010 175.522 176.600 -0.113 0.000 1.063 429 K CA 0.060 56.271 56.287 -0.125 0.000 0.967 429 K CB 0.036 32.458 32.500 -0.130 0.000 0.987 429 K HN 0.722 8.986 8.250 0.024 0.000 0.473 430 Y N 3.385 123.599 120.300 -0.144 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.122 173.593 175.900 -0.309 0.000 1.168 430 Y CA -3.044 54.989 58.100 -0.112 0.000 1.269 430 Y CB 2.450 40.932 38.460 0.037 0.000 1.388 430 Y HN 0.245 8.032 8.280 -0.645 0.105 0.528 431 H N -0.681 118.506 119.070 0.196 0.000 2.609 431 H HA 0.447 nan 4.556 nan 0.000 0.344 431 H C -1.257 174.210 175.328 0.231 0.000 1.040 431 H CA -1.272 54.819 56.048 0.071 0.000 1.216 431 H CB 2.883 32.690 29.762 0.075 0.000 1.529 431 H HN -0.118 8.424 8.280 0.437 0.000 0.519 432 H N 1.472 120.679 119.070 0.228 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.085 173.371 175.328 0.214 0.000 1.168 432 H CA -2.437 53.752 56.048 0.235 0.000 1.163 432 H CB 2.369 32.203 29.762 0.120 0.000 1.778 432 H HN 0.792 8.852 8.280 -0.171 0.118 0.551 433 L N 0.135 121.681 121.223 0.537 0.000 2.452 433 L HA 0.106 nan 4.340 nan 0.000 0.267 433 L C -1.060 176.129 176.870 0.532 0.000 1.188 433 L CA 0.836 55.935 54.840 0.431 0.000 0.821 433 L CB 1.285 43.528 42.059 0.306 0.000 1.102 433 L HN 0.372 8.956 8.230 0.590 0.000 0.470 434 D N 0.982 121.608 120.400 0.378 0.000 3.158 434 D HA 0.299 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.273 176.300 0.209 0.000 1.308 434 D CA -1.993 52.178 54.000 0.285 0.000 1.001 434 D CB 2.826 43.737 40.800 0.185 0.000 1.389 434 D HN 0.367 8.936 8.370 0.331 0.000 0.595 435 H N -4.795 114.330 119.070 0.091 0.000 3.064 435 H HA 0.329 nan 4.556 nan 0.000 0.352 435 H C -1.682 173.615 175.328 -0.052 0.000 1.260 435 H CA -1.656 54.387 56.048 -0.007 0.000 1.160 435 H CB 2.772 32.501 29.762 -0.055 0.000 1.879 435 H HN -0.114 7.998 8.280 -0.281 0.000 0.544 436 E N 1.592 121.824 120.200 0.053 0.000 2.398 436 E HA 0.049 nan 4.350 nan 0.000 0.263 436 E C -1.296 175.384 176.600 0.133 0.000 1.046 436 E CA -1.632 54.788 56.400 0.033 0.000 0.908 436 E CB 0.761 30.467 29.700 0.010 0.000 0.963 436 E HN 0.230 8.495 8.360 0.043 0.121 0.431 437 P HA -0.008 nan 4.420 nan 0.000 0.271 437 P C -2.201 175.338 177.300 0.398 0.000 1.233 437 P CA 0.386 63.657 63.100 0.286 0.000 0.789 437 P CB 0.591 32.472 31.700 0.301 0.000 0.951 438 F N -5.858 114.132 119.950 0.067 0.000 2.807 438 F HA 0.367 nan 4.527 nan 0.000 0.316 438 F C -2.401 173.341 175.800 -0.096 0.000 1.162 438 F CA -2.312 55.660 58.000 -0.046 0.000 0.910 438 F CB 1.780 40.709 39.000 -0.118 0.000 1.314 438 F HN -0.285 8.229 8.300 0.356 0.000 0.454 439 T N -0.579 113.816 114.554 -0.264 0.000 2.916 439 T HA 0.618 nan 4.350 nan 0.000 0.292 439 T C -1.625 172.753 174.700 -0.537 0.000 1.055 439 T CA -1.591 60.256 62.100 -0.421 0.000 1.009 439 T CB 2.861 71.630 68.868 -0.164 0.000 1.118 439 T HN -0.148 8.070 8.240 -0.038 0.000 0.497 440 Y N 1.825 122.038 120.300 -0.145 0.000 2.313 440 Y HA 0.218 nan 4.550 nan 0.000 0.332 440 Y C -1.309 174.579 175.900 -0.019 0.000 1.071 440 Y CA -0.844 57.241 58.100 -0.024 0.000 1.169 440 Y CB 1.242 39.701 38.460 -0.001 0.000 1.192 440 Y HN 0.516 8.558 8.280 -0.220 0.106 0.487 441 N N 3.531 122.299 118.700 0.114 0.000 2.446 441 N HA 0.429 nan 4.740 nan 0.000 0.265 441 N C -2.212 173.366 175.510 0.112 0.000 0.975 441 N CA -0.805 52.292 53.050 0.079 0.000 0.928 441 N CB 2.514 41.029 38.487 0.046 0.000 1.160 441 N HN -0.090 8.358 8.380 0.113 0.000 0.495 442 I N 6.059 126.688 120.570 0.099 0.000 2.418 442 I HA 0.612 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.604 176.117 0.070 0.000 1.008 442 I CA -1.944 59.417 61.300 0.102 0.000 1.104 442 I CB 2.996 41.069 38.000 0.122 0.000 1.264 442 I HN 0.463 8.714 8.210 0.069 0.000 0.438 443 V N 9.011 128.967 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.555 174.575 176.094 0.059 0.000 1.041 443 V CA -1.616 60.718 62.300 0.057 0.000 0.926 443 V CB 1.326 33.178 31.823 0.048 0.000 0.992 443 V HN 0.808 8.933 8.190 0.076 0.110 0.457 444 V N 5.321 125.267 119.914 0.054 0.000 2.841 444 V HA 0.407 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.067 176.094 0.030 0.000 1.090 444 V CA -1.220 61.110 62.300 0.050 0.000 0.930 444 V CB 4.330 36.194 31.823 0.068 0.000 1.014 444 V HN 0.887 9.021 8.190 0.052 0.088 0.425 445 E N 6.353 126.562 120.200 0.014 0.000 2.070 445 E HA 0.272 nan 4.350 nan 0.000 0.261 445 E C -1.357 175.228 176.600 -0.024 0.000 0.926 445 E CA -2.358 54.041 56.400 -0.002 0.000 0.760 445 E CB 1.247 30.945 29.700 -0.003 0.000 1.133 445 E HN 0.730 8.982 8.360 0.015 0.118 0.420 446 N N 8.210 126.893 118.700 -0.029 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.727 176.201 175.510 -0.060 0.000 1.168 446 N CA -1.304 51.709 53.050 -0.062 0.000 1.055 446 N CB -0.353 38.101 38.487 -0.055 0.000 1.393 446 N HN 0.345 8.628 8.380 -0.012 0.090 0.514 447 N N 4.237 122.898 118.700 -0.065 0.000 2.192 447 N HA -0.339 nan 4.740 nan 0.000 0.188 447 N C -0.079 175.398 175.510 -0.055 0.000 1.013 447 N CA 2.361 55.380 53.050 -0.053 0.000 0.863 447 N CB -0.005 38.451 38.487 -0.053 0.000 0.990 447 N HN -0.241 8.063 8.380 -0.074 0.032 0.430 448 S N -0.620 115.035 115.700 -0.074 0.000 2.533 448 S HA 0.003 nan 4.470 nan 0.000 0.282 448 S C 1.056 175.624 174.600 -0.054 0.000 1.304 448 S CA 0.308 58.468 58.200 -0.067 0.000 1.063 448 S CB 0.352 63.498 63.200 -0.090 0.000 0.881 448 S HN -0.695 7.527 8.310 -0.096 0.031 0.493 449 G N 1.569 110.345 108.800 -0.041 0.000 2.479 449 G HA2 -0.242 nan 3.960 nan 0.000 0.220 449 G HA3 -0.242 nan 3.960 nan 0.000 0.220 449 G C -0.953 173.925 174.900 -0.037 0.000 1.115 449 G CA 0.844 45.923 45.100 -0.033 0.000 0.757 449 G HN 0.437 8.705 8.290 -0.037 0.000 0.560 450 A N -0.989 121.805 122.820 -0.043 0.000 2.310 450 A HA 0.131 nan 4.320 nan 0.000 0.299 450 A C -0.675 176.866 177.584 -0.072 0.000 1.147 450 A CA -1.567 50.441 52.037 -0.048 0.000 0.818 450 A CB 1.063 20.040 19.000 -0.038 0.000 1.096 450 A HN -0.671 7.410 8.150 -0.046 0.042 0.495 451 E N 1.160 121.309 120.200 -0.086 0.000 2.652 451 E HA -0.310 nan 4.350 nan 0.000 0.255 451 E C -1.026 175.464 176.600 -0.184 0.000 0.952 451 E CA 0.996 57.315 56.400 -0.134 0.000 0.947 451 E CB 0.078 29.676 29.700 -0.170 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.070 0.000 0.489 452 K N 4.855 125.168 120.400 -0.145 0.000 2.185 452 K HA 0.234 nan 4.320 nan 0.000 0.269 452 K C -1.225 175.382 176.600 0.011 0.000 0.987 452 K CA -1.568 54.681 56.287 -0.064 0.000 0.865 452 K CB 1.765 34.233 32.500 -0.054 0.000 1.090 452 K HN 0.573 8.677 8.250 -0.106 0.082 0.450 453 H N 4.174 123.431 119.070 0.312 0.000 2.552 453 H HA 0.510 nan 4.556 nan 0.000 0.311 453 H C -0.296 175.312 175.328 0.468 0.000 1.071 453 H CA -1.011 55.290 56.048 0.423 0.000 1.307 453 H CB 1.126 31.175 29.762 0.478 0.000 1.416 453 H HN 0.468 8.908 8.280 0.267 0.000 0.464 454 S N 4.024 120.030 115.700 0.511 0.000 2.648 454 S HA 0.708 nan 4.470 nan 0.000 0.305 454 S C -0.711 173.993 174.600 0.174 0.000 1.094 454 S CA -1.711 56.626 58.200 0.228 0.000 0.983 454 S CB 2.033 65.356 63.200 0.205 0.000 1.101 454 S HN 0.686 9.281 8.310 0.475 0.000 0.514 455 T N 2.046 116.578 114.554 -0.036 0.000 2.791 455 T HA 0.371 nan 4.350 nan 0.000 0.288 455 T C -1.291 173.282 174.700 -0.212 0.000 0.999 455 T CA -0.472 61.602 62.100 -0.042 0.000 0.952 455 T CB 0.740 69.648 68.868 0.066 0.000 0.938 455 T HN 0.653 8.640 8.240 -0.230 0.115 0.444 456 V N 7.424 127.098 119.914 -0.400 0.000 2.318 456 V HA 0.373 nan 4.120 nan 0.000 0.271 456 V C -0.883 175.002 176.094 -0.348 0.000 1.030 456 V CA -1.093 60.911 62.300 -0.493 0.000 0.844 456 V CB -0.352 30.848 31.823 -1.037 0.000 1.015 456 V HN 1.048 8.831 8.190 -0.500 0.107 0.460 457 R N 7.536 127.961 120.500 -0.126 0.000 2.207 457 R HA 0.598 nan 4.340 nan 0.000 0.334 457 R C -1.060 175.260 176.300 0.034 0.000 1.013 457 R CA -1.063 55.023 56.100 -0.023 0.000 0.858 457 R CB 0.572 30.970 30.300 0.164 0.000 1.094 457 R HN 0.421 8.639 8.270 -0.088 0.000 0.457 458 I N 4.094 124.609 120.570 -0.091 0.000 2.493 458 I HA 0.635 nan 4.170 nan 0.000 0.298 458 I C -1.493 174.631 176.117 0.011 0.000 0.998 458 I CA -1.023 60.298 61.300 0.035 0.000 1.137 458 I CB 2.678 40.572 38.000 -0.176 0.000 1.310 458 I HN 0.762 8.755 8.210 -0.185 0.105 0.445 459 F N 4.481 124.596 119.950 0.274 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.549 174.486 175.800 0.391 0.000 1.060 459 F CA -1.579 56.635 58.000 0.357 0.000 0.940 459 F CB 4.264 43.525 39.000 0.435 0.000 1.268 459 F HN 0.434 9.000 8.300 0.614 0.102 0.475 460 L N 1.256 122.806 121.223 0.546 0.000 2.406 460 L HA 0.669 nan 4.340 nan 0.000 0.272 460 L C -2.362 174.694 176.870 0.309 0.000 0.980 460 L CA -1.333 53.733 54.840 0.378 0.000 0.831 460 L CB 3.544 45.746 42.059 0.238 0.000 1.253 460 L HN 0.892 9.334 8.230 0.541 0.113 0.406 461 A N 5.974 128.884 122.820 0.150 0.000 2.483 461 A HA 0.838 nan 4.320 nan 0.000 0.286 461 A C -3.476 174.112 177.584 0.006 0.000 1.207 461 A CA -2.706 49.252 52.037 -0.130 0.000 0.764 461 A CB 1.987 20.486 19.000 -0.835 0.000 1.341 461 A HN 1.015 9.170 8.150 0.194 0.111 0.428 462 P HA 0.310 nan 4.420 nan 0.000 0.292 462 P C -1.449 175.631 177.300 -0.368 0.000 1.283 462 P CA -0.779 62.048 63.100 -0.455 0.000 0.835 462 P CB 1.275 32.652 31.700 -0.538 0.000 1.017 463 K N 1.228 121.399 120.400 -0.382 0.000 2.166 463 K HA -0.058 nan 4.320 nan 0.000 0.201 463 K C 0.546 176.905 176.600 -0.403 0.000 1.052 463 K CA 1.205 57.281 56.287 -0.352 0.000 0.969 463 K CB 0.892 33.181 32.500 -0.351 0.000 0.761 463 K HN -0.244 7.718 8.250 -0.480 0.000 0.459 464 Y N -1.960 118.184 120.300 -0.260 0.000 2.326 464 Y HA -0.154 nan 4.550 nan 0.000 0.333 464 Y C -0.463 175.316 175.900 -0.201 0.000 1.240 464 Y CA 1.957 59.932 58.100 -0.208 0.000 1.365 464 Y CB 0.763 39.097 38.460 -0.210 0.000 1.289 464 Y HN -0.868 7.233 8.280 -0.298 0.000 0.548 465 D N 0.902 121.339 120.400 0.062 0.000 2.539 465 D HA 0.147 nan 4.640 nan 0.000 0.276 465 D C -0.406 175.884 176.300 -0.018 0.000 1.206 465 D CA -1.130 52.861 54.000 -0.015 0.000 1.081 465 D CB 2.149 42.934 40.800 -0.024 0.000 1.142 465 D HN 0.196 8.526 8.370 0.127 0.116 0.595 466 E N -1.385 118.787 120.200 -0.047 0.000 2.479 466 E HA -0.059 nan 4.350 nan 0.000 0.193 466 E C -0.768 175.803 176.600 -0.048 0.000 1.049 466 E CA 1.246 57.611 56.400 -0.060 0.000 0.870 466 E CB 0.044 29.706 29.700 -0.063 0.000 0.944 466 E HN 0.305 8.635 8.360 -0.049 0.000 0.492 467 L N -0.881 120.324 121.223 -0.030 0.000 2.327 467 L HA 0.173 nan 4.340 nan 0.000 0.192 467 L C 0.451 177.316 176.870 -0.007 0.000 1.158 467 L CA 1.910 56.737 54.840 -0.021 0.000 0.813 467 L CB 0.029 42.077 42.059 -0.018 0.000 1.021 467 L HN -0.101 8.021 8.230 -0.024 0.094 0.481 468 N N -4.582 114.131 118.700 0.022 0.000 3.449 468 N HA -0.013 nan 4.740 nan 0.000 0.312 468 N C -2.073 173.520 175.510 0.139 0.000 1.557 468 N CA -0.728 52.366 53.050 0.073 0.000 0.864 468 N CB 1.373 39.886 38.487 0.043 0.000 1.799 468 N HN -0.545 7.846 8.380 0.019 0.000 0.554 469 N N -0.169 118.628 118.700 0.162 0.000 2.406 469 N HA -0.117 nan 4.740 nan 0.000 0.269 469 N C -1.496 173.968 175.510 -0.075 0.000 1.210 469 N CA 0.880 53.920 53.050 -0.017 0.000 0.966 469 N CB 0.014 38.396 38.487 -0.175 0.000 1.293 469 N HN 0.212 8.699 8.380 0.178 0.000 0.491 470 K N 3.446 123.799 120.400 -0.079 0.000 2.616 470 K HA 0.268 nan 4.320 nan 0.000 0.241 470 K C -0.349 176.196 176.600 -0.092 0.000 0.961 470 K CA -1.431 54.812 56.287 -0.073 0.000 0.942 470 K CB 1.177 33.651 32.500 -0.044 0.000 1.153 470 K HN -0.302 7.908 8.250 -0.068 0.000 0.452 471 L N 6.439 127.606 121.223 -0.094 0.000 2.930 471 L HA -0.001 nan 4.340 nan 0.000 0.250 471 L C -0.806 176.031 176.870 -0.055 0.000 1.320 471 L CA -0.866 53.918 54.840 -0.093 0.000 1.163 471 L CB -1.720 40.288 42.059 -0.085 0.000 1.542 471 L HN 0.827 9.005 8.230 -0.086 0.000 0.428 472 E N 1.542 121.706 120.200 -0.059 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.303 175.267 176.600 -0.049 0.000 1.180 472 E CA -1.200 55.176 56.400 -0.040 0.000 0.926 472 E CB -0.651 29.026 29.700 -0.040 0.000 1.035 472 E HN -0.245 7.964 8.360 -0.070 0.109 0.418 473 P HA -0.127 nan 4.420 nan 0.000 0.222 473 P C 0.740 178.036 177.300 -0.006 0.000 1.153 473 P CA 2.430 65.531 63.100 0.002 0.000 0.798 473 P CB 0.297 32.010 31.700 0.021 0.000 0.796 474 D N -0.356 120.026 120.400 -0.029 0.000 2.097 474 D HA -0.324 nan 4.640 nan 0.000 0.197 474 D C 1.404 177.705 176.300 0.001 0.000 0.984 474 D CA 3.370 57.362 54.000 -0.013 0.000 0.826 474 D CB -0.431 40.357 40.800 -0.020 0.000 0.973 474 D HN 0.315 8.664 8.370 -0.034 0.000 0.460 475 E N -1.746 118.442 120.200 -0.020 0.000 2.085 475 E HA -0.349 nan 4.350 nan 0.000 0.194 475 E C 2.478 179.046 176.600 -0.053 0.000 0.994 475 E CA 2.992 59.373 56.400 -0.031 0.000 0.801 475 E CB -0.161 29.509 29.700 -0.049 0.000 0.743 475 E HN 0.112 8.457 8.360 -0.026 0.000 0.453 476 Q N -1.428 118.311 119.800 -0.102 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.257 178.197 176.000 -0.101 0.000 0.970 476 Q CA 2.571 58.228 55.803 -0.243 0.000 0.876 476 Q CB -0.249 28.195 28.738 -0.490 0.000 0.935 476 Q HN 0.116 8.153 8.270 -0.091 0.179 0.455 477 R N -1.444 119.144 120.500 0.147 0.000 2.200 477 R HA -0.268 nan 4.340 nan 0.000 0.234 477 R C 1.714 178.144 176.300 0.217 0.000 1.127 477 R CA 2.611 58.891 56.100 0.299 0.000 0.989 477 R CB -0.488 29.937 30.300 0.208 0.000 0.869 477 R HN -0.207 8.005 8.270 0.095 0.116 0.459 478 R N -2.926 117.644 120.500 0.116 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.176 177.523 176.300 0.078 0.000 1.088 478 R CA 1.285 57.446 56.100 0.102 0.000 0.985 478 R CB -0.134 30.208 30.300 0.070 0.000 0.880 478 R HN -0.657 7.620 8.270 0.071 0.036 0.451 479 L N -1.457 119.782 121.223 0.026 0.000 2.316 479 L HA 0.062 nan 4.340 nan 0.000 0.207 479 L C 0.803 177.704 176.870 0.052 0.000 1.070 479 L CA 0.735 55.566 54.840 -0.015 0.000 0.820 479 L CB 0.110 42.092 42.059 -0.128 0.000 0.992 479 L HN -0.351 7.704 8.230 -0.005 0.173 0.466 480 F N -0.641 119.318 119.950 0.015 0.000 2.512 480 F HA -0.303 nan 4.527 nan 0.000 0.406 480 F C 0.241 176.195 175.800 0.257 0.000 0.990 480 F CA 2.573 60.625 58.000 0.086 0.000 1.137 480 F CB -0.243 38.695 39.000 -0.104 0.000 0.960 480 F HN -0.212 8.100 8.300 0.020 0.000 0.533 481 I N -0.395 120.501 120.570 0.543 0.000 2.465 481 I HA 0.404 nan 4.170 nan 0.000 0.291 481 I C -1.648 174.621 176.117 0.253 0.000 1.014 481 I CA -2.164 59.339 61.300 0.338 0.000 1.093 481 I CB 3.323 41.414 38.000 0.151 0.000 1.267 481 I HN 0.724 9.159 8.210 0.564 0.114 0.431 482 E N 6.664 126.860 120.200 -0.006 0.000 2.217 482 E HA -0.033 nan 4.350 nan 0.000 0.279 482 E C -1.118 175.385 176.600 -0.161 0.000 1.068 482 E CA 0.367 56.477 56.400 -0.484 0.000 0.882 482 E CB 0.479 29.960 29.700 -0.365 0.000 1.039 482 E HN 0.048 8.782 8.360 0.147 -0.286 0.418 483 L N 5.884 127.034 121.223 -0.122 0.000 2.375 483 L HA 0.107 nan 4.340 nan 0.000 0.215 483 L C -0.461 176.394 176.870 -0.025 0.000 1.108 483 L CA 0.520 55.368 54.840 0.014 0.000 0.830 483 L CB 0.589 42.762 42.059 0.189 0.000 0.959 483 L HN 0.765 8.772 8.230 -0.186 0.111 0.457 484 D N -3.878 116.466 120.400 -0.092 0.000 2.683 484 D HA 0.154 nan 4.640 nan 0.000 0.246 484 D C -2.925 173.355 176.300 -0.032 0.000 1.238 484 D CA -0.469 53.512 54.000 -0.032 0.000 0.759 484 D CB 2.568 43.357 40.800 -0.018 0.000 1.349 484 D HN -0.836 7.430 8.370 -0.174 0.000 0.426 485 K N 2.537 122.978 120.400 0.067 0.000 2.651 485 K HA 0.535 nan 4.320 nan 0.000 0.259 485 K C -2.132 174.553 176.600 0.142 0.000 1.017 485 K CA -0.154 56.149 56.287 0.027 0.000 0.897 485 K CB 1.831 34.334 32.500 0.005 0.000 1.262 485 K HN 0.180 8.510 8.250 0.133 0.000 0.460 486 F N 1.145 121.075 119.950 -0.033 0.000 2.675 486 F HA 0.443 nan 4.527 nan 0.000 0.324 486 F C -2.410 173.419 175.800 0.049 0.000 1.106 486 F CA -2.482 55.515 58.000 -0.006 0.000 0.970 486 F CB 2.932 41.912 39.000 -0.035 0.000 1.385 486 F HN 0.014 8.080 8.300 -0.389 0.000 0.489 487 F N -0.225 119.759 119.950 0.056 0.000 2.436 487 F HA 0.433 nan 4.527 nan 0.000 0.340 487 F C -2.275 173.659 175.800 0.223 0.000 1.113 487 F CA -1.692 56.219 58.000 -0.148 0.000 1.022 487 F CB 2.195 40.799 39.000 -0.659 0.000 1.128 487 F HN -0.044 8.487 8.300 0.385 0.000 0.466 488 Y N 7.211 127.340 120.300 -0.286 0.000 2.638 488 Y HA 0.235 nan 4.550 nan 0.000 0.339 488 Y C -2.269 173.450 175.900 -0.301 0.000 1.084 488 Y CA -1.279 56.603 58.100 -0.363 0.000 1.068 488 Y CB 4.723 43.204 38.460 0.034 0.000 1.294 488 Y HN -0.217 8.154 8.280 0.152 0.000 0.480 489 T N 3.946 118.130 114.554 -0.617 0.000 2.841 489 T HA 0.591 nan 4.350 nan 0.000 0.283 489 T C -1.584 172.941 174.700 -0.292 0.000 1.000 489 T CA -0.647 61.274 62.100 -0.298 0.000 0.977 489 T CB 1.226 69.959 68.868 -0.225 0.000 0.979 489 T HN -0.003 7.434 8.240 -1.338 0.000 0.446 490 L N 5.904 127.071 121.223 -0.093 0.000 2.372 490 L HA 0.431 nan 4.340 nan 0.000 0.273 490 L C -0.493 176.348 176.870 -0.049 0.000 0.989 490 L CA -1.024 53.819 54.840 0.005 0.000 0.841 490 L CB 2.208 44.322 42.059 0.092 0.000 1.225 490 L HN 0.836 8.898 8.230 -0.112 0.100 0.414 491 T N 2.512 117.042 114.554 -0.040 0.000 2.748 491 T HA 0.215 nan 4.350 nan 0.000 0.304 491 T C -0.948 173.733 174.700 -0.031 0.000 1.041 491 T CA -2.134 59.940 62.100 -0.044 0.000 1.033 491 T CB -1.087 67.762 68.868 -0.031 0.000 0.995 491 T HN 0.134 8.565 8.240 -0.012 -0.197 0.536 492 P HA -0.294 nan 4.420 nan 0.000 0.268 492 P C -0.696 176.595 177.300 -0.015 0.000 1.208 492 P CA 0.555 63.638 63.100 -0.029 0.000 0.777 492 P CB 0.118 31.801 31.700 -0.028 0.000 0.875 493 G N 2.281 111.072 108.800 -0.015 0.000 2.542 493 G HA2 -0.420 nan 3.960 nan 0.000 0.235 493 G HA3 -0.420 nan 3.960 nan 0.000 0.235 493 G C -1.472 173.431 174.900 0.005 0.000 1.286 493 G CA -0.370 44.726 45.100 -0.006 0.000 0.904 493 G HN -0.067 8.105 8.290 -0.024 0.103 0.577 494 K N 2.998 123.405 120.400 0.011 0.000 2.419 494 K HA -0.172 nan 4.320 nan 0.000 0.282 494 K C -0.834 175.786 176.600 0.034 0.000 1.056 494 K CA 1.036 57.336 56.287 0.021 0.000 1.035 494 K CB -0.220 32.292 32.500 0.020 0.000 0.921 494 K HN 0.117 8.372 8.250 0.008 0.000 0.472 495 N N 5.456 124.185 118.700 0.048 0.000 2.269 495 N HA 0.298 nan 4.740 nan 0.000 0.304 495 N C -1.682 173.871 175.510 0.071 0.000 1.072 495 N CA -0.514 52.581 53.050 0.075 0.000 0.802 495 N CB 4.249 42.800 38.487 0.107 0.000 1.348 495 N HN 0.553 8.857 8.380 0.044 0.102 0.484 496 T N -3.571 111.028 114.554 0.075 0.000 2.841 496 T HA 0.669 nan 4.350 nan 0.000 0.283 496 T C -0.910 173.799 174.700 0.015 0.000 1.000 496 T CA -1.732 60.397 62.100 0.047 0.000 0.977 496 T CB 1.451 70.341 68.868 0.036 0.000 0.979 496 T HN 0.200 8.496 8.240 0.093 0.000 0.446 497 I N 2.766 123.299 120.570 -0.061 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.521 174.518 176.117 -0.130 0.000 1.011 497 I CA -1.325 59.818 61.300 -0.263 0.000 1.107 497 I CB 3.883 41.678 38.000 -0.341 0.000 1.285 497 I HN 0.541 8.743 8.210 -0.013 0.000 0.436 498 V N 5.066 124.882 119.914 -0.163 0.000 2.588 498 V HA 0.593 nan 4.120 nan 0.000 0.304 498 V C -1.476 174.528 176.094 -0.151 0.000 1.042 498 V CA -1.354 60.892 62.300 -0.090 0.000 0.877 498 V CB 1.788 33.574 31.823 -0.062 0.000 0.996 498 V HN 0.118 8.159 8.190 -0.249 0.000 0.425 499 R N 7.291 127.732 120.500 -0.098 0.000 2.510 499 R HA 0.344 nan 4.340 nan 0.000 0.294 499 R C -1.885 174.340 176.300 -0.125 0.000 1.056 499 R CA -1.759 54.236 56.100 -0.175 0.000 0.918 499 R CB 2.955 33.106 30.300 -0.249 0.000 1.187 499 R HN 0.334 8.589 8.270 -0.024 0.000 0.437 500 N N 6.436 125.028 118.700 -0.179 0.000 2.518 500 N HA 0.145 nan 4.740 nan 0.000 0.283 500 N C 0.776 176.160 175.510 -0.210 0.000 1.119 500 N CA -0.428 52.508 53.050 -0.191 0.000 0.983 500 N CB 0.881 39.289 38.487 -0.132 0.000 1.139 500 N HN 0.463 8.726 8.380 -0.196 0.000 0.465 501 H N 3.460 122.353 119.070 -0.295 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.785 177.123 175.328 0.017 0.000 1.121 501 H CA 4.296 60.242 56.048 -0.171 0.000 1.207 501 H CB -0.052 29.761 29.762 0.085 0.000 1.355 501 H HN 0.638 8.787 8.280 -0.220 0.000 0.486 502 Q N -1.545 117.850 119.800 -0.674 0.000 2.124 502 Q HA -0.280 nan 4.340 nan 0.000 0.202 502 Q C 1.492 177.372 176.000 -0.200 0.000 0.977 502 Q CA 2.794 58.249 55.803 -0.580 0.000 0.850 502 Q CB -0.743 27.775 28.738 -0.366 0.000 0.901 502 Q HN 0.336 8.267 8.270 -0.462 0.062 0.429 503 D N -2.456 117.843 120.400 -0.168 0.000 2.352 503 D HA 0.071 nan 4.640 nan 0.000 0.236 503 D C -0.205 176.049 176.300 -0.076 0.000 1.148 503 D CA -0.782 53.151 54.000 -0.112 0.000 0.844 503 D CB -1.045 39.665 40.800 -0.150 0.000 0.933 503 D HN -0.655 7.564 8.370 -0.209 0.026 0.507 504 S N 0.510 116.193 115.700 -0.029 0.000 2.544 504 S HA -0.181 nan 4.470 nan 0.000 0.290 504 S C 0.628 175.218 174.600 -0.015 0.000 1.276 504 S CA 1.226 59.431 58.200 0.009 0.000 1.075 504 S CB 0.311 63.556 63.200 0.075 0.000 0.849 504 S HN -0.760 7.435 8.310 -0.032 0.096 0.494 505 S N 8.388 124.071 115.700 -0.027 0.000 2.727 505 S HA -0.080 nan 4.470 nan 0.000 0.226 505 S C -0.053 174.491 174.600 -0.093 0.000 0.963 505 S CA 2.239 60.418 58.200 -0.035 0.000 0.950 505 S CB -0.264 62.933 63.200 -0.006 0.000 0.779 505 S HN 0.402 8.853 8.310 -0.013 -0.149 0.532 506 V N -7.164 112.635 119.914 -0.192 0.000 3.635 506 V HA 0.387 nan 4.120 nan 0.000 0.266 506 V C -0.643 175.380 176.094 -0.118 0.000 1.316 506 V CA -0.123 61.914 62.300 -0.438 0.000 1.060 506 V CB 0.635 31.781 31.823 -1.128 0.000 0.820 506 V HN -0.735 7.271 8.190 -0.129 0.107 0.447 507 T N -1.014 113.555 114.554 0.025 0.000 2.928 507 T HA 0.337 nan 4.350 nan 0.000 0.284 507 T C -1.312 173.485 174.700 0.161 0.000 1.008 507 T CA -1.557 60.639 62.100 0.161 0.000 1.057 507 T CB 1.531 70.510 68.868 0.185 0.000 1.018 507 T HN -0.740 7.498 8.240 -0.004 0.000 0.493 508 I N 3.164 123.852 120.570 0.197 0.000 2.474 508 I HA 0.175 nan 4.170 nan 0.000 0.287 508 I C -0.368 175.847 176.117 0.163 0.000 1.048 508 I CA -1.201 60.202 61.300 0.172 0.000 1.383 508 I CB 1.855 39.971 38.000 0.194 0.000 1.412 508 I HN 0.119 8.420 8.210 0.231 0.047 0.531 509 S N 8.168 123.954 115.700 0.142 0.000 2.400 509 S HA 0.020 nan 4.470 nan 0.000 0.170 509 S C 0.218 174.911 174.600 0.155 0.000 0.917 509 S CA 0.890 59.172 58.200 0.137 0.000 1.028 509 S CB 0.635 63.894 63.200 0.098 0.000 0.810 509 S HN -0.170 8.377 8.310 0.123 -0.163 0.504 510 K N 2.213 122.716 120.400 0.173 0.000 2.174 510 K HA 0.096 nan 4.320 nan 0.000 0.275 510 K C -1.500 175.247 176.600 0.245 0.000 1.015 510 K CA -0.387 55.999 56.287 0.164 0.000 0.933 510 K CB 0.978 33.546 32.500 0.113 0.000 1.025 510 K HN -0.042 8.316 8.250 0.181 0.000 0.463 511 V N 1.179 121.192 119.914 0.164 0.000 3.046 511 V HA 0.306 nan 4.120 nan 0.000 0.316 511 V C -1.660 174.448 176.094 0.023 0.000 1.104 511 V CA -2.310 60.104 62.300 0.190 0.000 1.006 511 V CB 2.992 34.920 31.823 0.176 0.000 1.058 511 V HN 0.253 8.508 8.190 0.108 0.000 0.440 512 R N 2.990 123.470 120.500 -0.033 0.000 2.229 512 R HA 0.345 nan 4.340 nan 0.000 0.332 512 R C -0.503 175.758 176.300 -0.065 0.000 0.989 512 R CA -1.490 54.535 56.100 -0.125 0.000 0.842 512 R CB -0.716 29.445 30.300 -0.232 0.000 1.119 512 R HN 0.304 8.604 8.270 0.049 0.000 0.456 513 T N 3.521 118.043 114.554 -0.054 0.000 2.900 513 T HA 0.048 nan 4.350 nan 0.000 0.307 513 T C 1.066 175.746 174.700 -0.033 0.000 1.065 513 T CA -0.127 61.948 62.100 -0.041 0.000 1.105 513 T CB 1.226 70.069 68.868 -0.042 0.000 0.979 513 T HN 0.105 8.313 8.240 -0.055 0.000 0.544 514 F N 6.387 126.202 119.950 -0.226 0.000 2.147 514 F HA -0.457 nan 4.527 nan 0.000 0.301 514 F C 1.174 176.903 175.800 -0.118 0.000 1.084 514 F CA 4.073 61.947 58.000 -0.209 0.000 1.268 514 F CB 0.299 39.069 39.000 -0.384 0.000 1.009 514 F HN 0.406 9.052 8.300 0.032 -0.327 0.486 515 D N -2.225 118.254 120.400 0.132 0.000 2.097 515 D HA -0.303 nan 4.640 nan 0.000 0.195 515 D C 2.692 179.014 176.300 0.036 0.000 0.989 515 D CA 3.336 57.408 54.000 0.119 0.000 0.827 515 D CB -0.720 40.125 40.800 0.075 0.000 0.966 515 D HN -0.487 7.882 8.370 0.030 0.019 0.456 516 Q N -0.853 118.935 119.800 -0.021 0.000 2.077 516 Q HA -0.297 nan 4.340 nan 0.000 0.206 516 Q C 3.033 178.982 176.000 -0.086 0.000 0.989 516 Q CA 2.898 58.661 55.803 -0.066 0.000 0.853 516 Q CB 0.027 28.698 28.738 -0.111 0.000 0.907 516 Q HN -0.581 7.674 8.270 -0.024 0.000 0.418 517 L N -2.613 118.541 121.223 -0.116 0.000 2.131 517 L HA -0.244 nan 4.340 nan 0.000 0.210 517 L C 1.827 178.628 176.870 -0.116 0.000 1.092 517 L CA 1.648 56.390 54.840 -0.164 0.000 0.759 517 L CB -0.390 41.497 42.059 -0.288 0.000 0.903 517 L HN -0.569 7.589 8.230 -0.110 0.007 0.435 518 G N -3.752 105.024 108.800 -0.039 0.000 2.527 518 G HA2 -0.170 nan 3.960 nan 0.000 0.219 518 G HA3 -0.170 nan 3.960 nan 0.000 0.219 518 G C -0.626 174.277 174.900 0.004 0.000 1.117 518 G CA 1.070 46.186 45.100 0.027 0.000 0.759 518 G HN -0.103 8.117 8.290 -0.007 0.065 0.556 519 A N 1.259 124.065 122.820 -0.023 0.000 2.353 519 A HA 0.357 nan 4.320 nan 0.000 0.218 519 A C -0.924 176.627 177.584 -0.055 0.000 1.760 519 A CA 0.471 52.487 52.037 -0.035 0.000 0.638 519 A CB 1.500 20.478 19.000 -0.037 0.000 1.280 519 A HN -0.355 7.632 8.150 -0.030 0.144 0.511 520 G N -3.111 105.645 108.800 -0.074 0.000 2.347 520 G HA2 0.010 nan 3.960 nan 0.000 0.303 520 G HA3 0.010 nan 3.960 nan 0.000 0.303 520 G C -2.622 172.232 174.900 -0.078 0.000 1.481 520 G CA -0.066 44.987 45.100 -0.079 0.000 0.914 520 G HN -0.283 7.957 8.290 -0.083 0.000 0.638 521 E N -0.263 119.892 120.200 -0.075 0.000 2.432 521 E HA 0.273 nan 4.350 nan 0.000 0.279 521 E C -1.107 175.464 176.600 -0.049 0.000 1.099 521 E CA -0.976 55.390 56.400 -0.056 0.000 0.859 521 E CB 1.982 31.652 29.700 -0.049 0.000 1.402 521 E HN 0.330 8.640 8.360 -0.083 0.000 0.451 522 G N -1.768 107.014 108.800 -0.029 0.000 2.341 522 G HA2 0.049 nan 3.960 nan 0.000 0.299 522 G HA3 0.049 nan 3.960 nan 0.000 0.299 522 G C -1.330 173.557 174.900 -0.021 0.000 1.274 522 G CA 0.163 45.242 45.100 -0.034 0.000 0.853 522 G HN 0.104 8.385 8.290 -0.016 0.000 0.493 523 V N -1.047 118.850 119.914 -0.028 0.000 4.700 523 V HA -0.216 nan 4.120 nan 0.000 0.388 523 V C -1.410 174.672 176.094 -0.019 0.000 0.654 523 V CA 0.168 62.454 62.300 -0.023 0.000 1.587 523 V CB -0.589 31.223 31.823 -0.018 0.000 1.932 523 V HN 0.315 8.482 8.190 -0.039 0.000 0.480 524 S N 2.573 118.257 115.700 -0.026 0.000 2.558 524 S HA 0.408 nan 4.470 nan 0.000 0.277 524 S C -0.368 174.214 174.600 -0.029 0.000 1.143 524 S CA -0.709 57.475 58.200 -0.027 0.000 0.865 524 S CB 2.281 65.462 63.200 -0.031 0.000 1.102 524 S HN -0.475 7.817 8.310 -0.030 0.000 0.454 525 E N 5.366 125.550 120.200 -0.027 0.000 2.044 525 E HA -0.137 nan 4.350 nan 0.000 0.209 525 E C -0.845 175.739 176.600 -0.027 0.000 0.917 525 E CA 2.412 58.797 56.400 -0.025 0.000 0.963 525 E CB 0.742 30.429 29.700 -0.020 0.000 0.919 525 E HN 0.055 8.644 8.360 -0.026 -0.245 0.528 526 D N -0.874 119.510 120.400 -0.025 0.000 2.471 526 D HA 0.138 nan 4.640 nan 0.000 0.245 526 D C -1.715 174.565 176.300 -0.034 0.000 1.116 526 D CA -0.557 53.426 54.000 -0.028 0.000 0.853 526 D CB 0.732 41.520 40.800 -0.019 0.000 1.123 526 D HN -0.289 8.067 8.370 -0.023 0.000 0.540 527 S N 2.637 118.310 115.700 -0.045 0.000 2.804 527 S HA -0.017 nan 4.470 nan 0.000 0.296 527 S C -2.003 172.555 174.600 -0.071 0.000 0.865 527 S CA 0.552 58.717 58.200 -0.058 0.000 0.809 527 S CB 1.089 64.255 63.200 -0.056 0.000 1.011 527 S HN -0.010 8.273 8.310 -0.045 0.000 0.495 528 T N 7.965 122.465 114.554 -0.090 0.000 2.727 528 T HA 0.126 nan 4.350 nan 0.000 0.295 528 T C 0.335 174.963 174.700 -0.119 0.000 0.915 528 T CA 1.110 63.153 62.100 -0.095 0.000 1.066 528 T CB -0.493 68.311 68.868 -0.107 0.000 0.891 528 T HN 0.427 8.607 8.240 -0.100 0.000 0.516 529 E N 6.418 126.565 120.200 -0.089 0.000 2.065 529 E HA -0.335 nan 4.350 nan 0.000 0.201 529 E C 0.437 176.862 176.600 -0.293 0.000 1.016 529 E CA 2.379 58.715 56.400 -0.107 0.000 0.818 529 E CB 0.125 29.818 29.700 -0.013 0.000 0.749 529 E HN 0.401 8.726 8.360 -0.060 0.000 0.453 530 Y N -0.992 119.279 120.300 -0.049 0.000 2.674 530 Y HA -0.090 nan 4.550 nan 0.000 0.354 530 Y C -0.654 175.215 175.900 -0.053 0.000 1.089 530 Y CA 0.130 58.200 58.100 -0.048 0.000 1.444 530 Y CB -0.529 37.896 38.460 -0.059 0.000 1.187 530 Y HN -0.363 7.946 8.280 0.048 0.000 0.523 531 C N 8.134 127.023 119.300 -0.686 0.000 2.657 531 C HA -0.134 nan 4.460 nan 0.000 0.404 531 C C 0.123 175.080 174.990 -0.056 0.000 1.369 531 C CA 0.095 58.938 59.018 -0.291 0.000 1.665 531 C CB -0.913 26.701 27.740 -0.209 0.000 2.453 531 C HN -0.141 7.562 8.230 -0.879 0.000 0.599 532 S N 7.118 122.805 115.700 -0.021 0.000 2.767 532 S HA 0.074 nan 4.470 nan 0.000 0.253 532 S C -1.168 173.442 174.600 0.015 0.000 1.082 532 S CA 0.773 58.966 58.200 -0.012 0.000 1.148 532 S CB -0.179 62.920 63.200 -0.169 0.000 0.808 532 S HN 0.336 8.597 8.310 -0.081 0.000 0.466 533 C N -1.166 118.216 119.300 0.136 0.000 3.302 533 C HA 0.368 nan 4.460 nan 0.000 0.347 533 C C -1.903 173.293 174.990 0.344 0.000 1.218 533 C CA -0.571 58.624 59.018 0.295 0.000 1.234 533 C CB 2.494 30.382 27.740 0.246 0.000 1.551 533 C HN -0.556 7.648 8.230 0.098 0.085 0.501 534 G N 1.715 110.840 108.800 0.541 0.000 2.323 534 G HA2 0.192 nan 3.960 nan 0.000 0.291 534 G HA3 0.192 nan 3.960 nan 0.000 0.291 534 G C -2.112 173.009 174.900 0.368 0.000 1.278 534 G CA 0.277 45.642 45.100 0.442 0.000 0.860 534 G HN -0.437 8.285 8.290 0.720 0.000 0.504 535 W N 1.101 122.428 121.300 0.046 0.000 2.261 535 W HA 0.313 nan 4.660 nan 0.000 0.323 535 W C -1.565 174.989 176.519 0.059 0.000 1.243 535 W CA -2.415 54.938 57.345 0.013 0.000 1.210 535 W CB 1.570 31.079 29.460 0.080 0.000 1.149 535 W HN 0.128 8.541 8.180 0.389 0.000 0.562 536 P HA -0.122 nan 4.420 nan 0.000 0.262 536 P C -0.039 177.191 177.300 -0.117 0.000 1.199 536 P CA 0.385 63.284 63.100 -0.335 0.000 0.763 536 P CB 0.203 31.470 31.700 -0.723 0.000 0.790 537 E N 7.222 127.491 120.200 0.115 0.000 2.033 537 E HA -0.513 nan 4.350 nan 0.000 0.199 537 E C 1.578 178.396 176.600 0.363 0.000 1.011 537 E CA 3.945 60.531 56.400 0.309 0.000 0.815 537 E CB -0.225 29.671 29.700 0.326 0.000 0.755 537 E HN 0.730 9.163 8.360 0.122 0.000 0.451 538 H N -5.206 113.962 119.070 0.163 0.000 2.520 538 H HA -0.193 nan 4.556 nan 0.000 0.295 538 H C 0.616 176.143 175.328 0.332 0.000 1.096 538 H CA 2.289 58.435 56.048 0.163 0.000 1.249 538 H CB -0.673 29.074 29.762 -0.025 0.000 1.365 538 H HN 0.252 8.752 8.280 0.367 0.000 0.556 539 M N -2.193 117.498 119.600 0.150 0.000 2.475 539 M HA 0.199 nan 4.480 nan 0.000 0.283 539 M C 0.672 177.318 176.300 0.575 0.000 1.165 539 M CA -2.744 52.787 55.300 0.384 0.000 0.976 539 M CB -1.012 31.792 32.600 0.339 0.000 1.428 539 M HN -0.382 7.704 8.290 -0.038 0.182 0.495 540 L N 2.319 123.824 121.223 0.469 0.000 2.131 540 L HA -0.170 nan 4.340 nan 0.000 0.210 540 L C -1.409 175.514 176.870 0.089 0.000 1.092 540 L CA 2.873 57.898 54.840 0.309 0.000 0.759 540 L CB 0.502 42.716 42.059 0.258 0.000 0.903 540 L HN -0.059 8.291 8.230 0.499 0.179 0.435 541 I N -3.586 116.967 120.570 -0.028 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.600 173.478 176.117 -0.065 0.000 1.042 541 I CA -3.330 57.887 61.300 -0.139 0.000 1.067 541 I CB 1.871 39.651 38.000 -0.367 0.000 1.233 541 I HN -0.545 7.678 8.210 0.056 0.021 0.431 542 P HA 0.005 nan 4.420 nan 0.000 0.270 542 P C -1.406 175.829 177.300 -0.109 0.000 1.221 542 P CA -0.231 62.829 63.100 -0.067 0.000 0.788 542 P CB 0.681 32.321 31.700 -0.100 0.000 0.904 543 R N 1.459 121.916 120.500 -0.072 0.000 2.127 543 R HA -0.378 nan 4.340 nan 0.000 0.238 543 R C 0.811 177.088 176.300 -0.039 0.000 1.134 543 R CA 1.897 57.920 56.100 -0.127 0.000 0.975 543 R CB 0.456 30.496 30.300 -0.432 0.000 0.865 543 R HN 0.233 8.840 8.270 -0.023 -0.351 0.447 544 G N -2.161 106.646 108.800 0.012 0.000 2.561 544 G HA2 -0.432 nan 3.960 nan 0.000 0.289 544 G HA3 -0.432 nan 3.960 nan 0.000 0.289 544 G C -0.713 174.260 174.900 0.123 0.000 1.169 544 G CA 0.350 45.551 45.100 0.167 0.000 0.980 544 G HN -0.639 7.625 8.290 0.015 0.035 0.550 545 S N -0.721 115.058 115.700 0.131 0.000 2.625 545 S HA 0.241 nan 4.470 nan 0.000 0.271 545 S C -0.123 174.574 174.600 0.161 0.000 1.161 545 S CA -0.868 57.403 58.200 0.118 0.000 0.820 545 S CB 2.432 65.677 63.200 0.075 0.000 1.137 545 S HN -0.448 7.946 8.310 0.139 0.000 0.470 546 H N 3.991 123.126 119.070 0.109 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.416 174.947 175.328 0.058 0.000 1.075 546 H CA 2.357 58.465 56.048 0.101 0.000 1.342 546 H CB 0.325 30.141 29.762 0.089 0.000 1.395 546 H HN 0.661 9.084 8.280 0.238 0.000 0.530 547 K N -5.191 115.159 120.400 -0.084 0.000 2.147 547 K HA -0.188 nan 4.320 nan 0.000 0.205 547 K C 0.403 176.953 176.600 -0.084 0.000 1.049 547 K CA 0.476 56.703 56.287 -0.101 0.000 0.936 547 K CB -0.101 32.378 32.500 -0.035 0.000 0.722 547 K HN -0.216 8.026 8.250 0.027 0.024 0.446 548 G N 0.832 109.613 108.800 -0.032 0.000 3.055 548 G HA2 -0.288 nan 3.960 nan 0.000 0.654 548 G HA3 -0.288 nan 3.960 nan 0.000 0.654 548 G C -1.401 173.552 174.900 0.089 0.000 1.134 548 G CA -0.601 44.512 45.100 0.022 0.000 1.049 548 G HN -0.587 7.520 8.290 -0.018 0.173 0.458 549 M N 2.573 122.275 119.600 0.171 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.081 174.447 176.300 0.380 0.000 1.153 549 M CA -0.470 54.979 55.300 0.248 0.000 1.084 549 M CB 3.178 35.965 32.600 0.313 0.000 1.468 549 M HN 0.199 8.596 8.290 0.179 0.000 0.474 550 E N 0.672 121.040 120.200 0.280 0.000 2.224 550 E HA 0.706 nan 4.350 nan 0.000 0.265 550 E C -1.451 175.141 176.600 -0.014 0.000 0.878 550 E CA -1.141 55.379 56.400 0.200 0.000 0.759 550 E CB 2.608 32.393 29.700 0.141 0.000 1.164 550 E HN 0.144 8.597 8.360 0.155 0.000 0.414 551 F N 4.512 124.446 119.950 -0.026 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.338 174.433 175.800 -0.048 0.000 1.177 551 F CA -1.331 56.645 58.000 -0.040 0.000 1.036 551 F CB 5.007 43.996 39.000 -0.018 0.000 1.455 551 F HN 0.820 9.275 8.300 0.258 0.000 0.520 552 E N -0.392 119.924 120.200 0.193 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.025 174.722 176.600 0.244 0.000 0.889 552 E CA -1.345 55.126 56.400 0.119 0.000 0.789 552 E CB 3.575 33.273 29.700 -0.004 0.000 1.221 552 E HN 0.534 8.983 8.360 0.288 0.084 0.414 553 L N 8.391 129.768 121.223 0.256 0.000 2.287 553 L HA 0.371 nan 4.340 nan 0.000 0.280 553 L C -2.182 174.946 176.870 0.429 0.000 1.055 553 L CA -0.759 54.300 54.840 0.365 0.000 0.863 553 L CB 0.985 43.253 42.059 0.349 0.000 1.245 553 L HN 0.070 8.412 8.230 0.186 0.000 0.432 554 F N 8.948 129.143 119.950 0.408 0.000 2.411 554 F HA 0.513 nan 4.527 nan 0.000 0.352 554 F C -1.818 174.231 175.800 0.415 0.000 1.123 554 F CA -2.800 55.438 58.000 0.397 0.000 1.044 554 F CB 2.062 41.340 39.000 0.463 0.000 1.135 554 F HN 0.386 9.005 8.300 0.736 0.123 0.461 555 V N 8.120 128.448 119.914 0.690 0.000 2.667 555 V HA 0.644 nan 4.120 nan 0.000 0.308 555 V C -2.070 174.201 176.094 0.294 0.000 1.048 555 V CA -1.852 60.682 62.300 0.390 0.000 0.928 555 V CB 2.618 34.587 31.823 0.243 0.000 1.004 555 V HN 0.971 9.490 8.190 0.741 0.115 0.444 556 M N 3.576 123.260 119.600 0.139 0.000 2.530 556 M HA 0.740 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.054 176.300 -0.015 0.000 1.161 556 M CA -1.495 53.816 55.300 0.019 0.000 0.903 556 M CB 4.434 36.965 32.600 -0.115 0.000 1.711 556 M HN 0.670 9.046 8.290 0.143 0.000 0.451 557 L N 5.216 126.433 121.223 -0.010 0.000 2.316 557 L HA 0.592 nan 4.340 nan 0.000 0.280 557 L C -1.760 174.942 176.870 -0.279 0.000 1.006 557 L CA -0.648 54.140 54.840 -0.086 0.000 0.836 557 L CB 0.887 43.025 42.059 0.131 0.000 1.221 557 L HN 0.564 8.820 8.230 0.044 0.000 0.418 558 T N 4.786 119.082 114.554 -0.430 0.000 2.937 558 T HA 0.372 nan 4.350 nan 0.000 0.283 558 T C -1.524 172.592 174.700 -0.972 0.000 1.012 558 T CA -1.655 60.102 62.100 -0.572 0.000 0.997 558 T CB 2.013 70.751 68.868 -0.217 0.000 1.136 558 T HN 0.477 8.546 8.240 -0.285 0.000 0.551 559 D N 0.385 120.341 120.400 -0.740 0.000 2.255 559 D HA 0.231 nan 4.640 nan 0.000 0.249 559 D C 0.169 176.355 176.300 -0.189 0.000 1.078 559 D CA -0.537 53.178 54.000 -0.474 0.000 0.896 559 D CB 1.784 42.553 40.800 -0.052 0.000 1.194 559 D HN 0.309 8.411 8.370 -0.447 0.000 0.429 560 H N 5.502 124.525 119.070 -0.077 0.000 2.448 560 H HA -0.095 nan 4.556 nan 0.000 0.292 560 H C 2.035 177.268 175.328 -0.158 0.000 1.035 560 H CA 3.119 59.108 56.048 -0.099 0.000 1.349 560 H CB 0.949 30.690 29.762 -0.035 0.000 1.425 560 H HN 0.344 8.645 8.280 0.179 0.087 0.539 561 D N -1.177 119.140 120.400 -0.138 0.000 2.183 561 D HA -0.180 nan 4.640 nan 0.000 0.203 561 D C 1.338 177.526 176.300 -0.186 0.000 0.969 561 D CA 3.047 56.941 54.000 -0.177 0.000 0.842 561 D CB -0.261 40.516 40.800 -0.039 0.000 0.957 561 D HN -0.041 8.608 8.370 0.050 -0.248 0.484 562 E N 0.082 120.192 120.200 -0.150 0.000 2.015 562 E HA -0.262 nan 4.350 nan 0.000 0.191 562 E C 1.119 177.576 176.600 -0.239 0.000 0.991 562 E CA 2.455 58.758 56.400 -0.161 0.000 0.802 562 E CB 0.404 30.025 29.700 -0.131 0.000 0.759 562 E HN -0.764 7.753 8.360 -0.093 -0.213 0.447 563 D N -3.200 117.017 120.400 -0.306 0.000 2.218 563 D HA -0.052 nan 4.640 nan 0.000 0.204 563 D C 0.589 176.652 176.300 -0.395 0.000 0.976 563 D CA 1.687 55.489 54.000 -0.330 0.000 0.853 563 D CB 0.554 41.180 40.800 -0.291 0.000 0.939 563 D HN -0.300 7.783 8.370 -0.293 0.111 0.481 564 T N 1.883 116.087 114.554 -0.584 0.000 2.743 564 T HA 0.068 nan 4.350 nan 0.000 0.290 564 T C 0.525 175.062 174.700 -0.271 0.000 0.908 564 T CA 0.550 62.356 62.100 -0.490 0.000 1.092 564 T CB -0.099 68.410 68.868 -0.597 0.000 0.882 564 T HN -0.346 7.493 8.240 -0.668 0.000 0.531 565 V N 6.029 125.826 119.914 -0.195 0.000 2.222 565 V HA 0.359 nan 4.120 nan 0.000 0.253 565 V C -1.322 174.707 176.094 -0.107 0.000 1.210 565 V CA -2.554 59.669 62.300 -0.128 0.000 1.079 565 V CB -1.529 30.240 31.823 -0.089 0.000 1.265 565 V HN -0.052 8.018 8.190 -0.199 0.000 0.494 566 A N 5.159 127.912 122.820 -0.112 0.000 2.274 566 A HA 0.385 nan 4.320 nan 0.000 0.309 566 A C -0.058 177.486 177.584 -0.066 0.000 1.226 566 A CA -0.576 51.410 52.037 -0.086 0.000 0.853 566 A CB 0.759 19.703 19.000 -0.094 0.000 1.146 566 A HN -0.287 7.751 8.150 -0.130 0.033 0.518 567 G N 3.208 111.979 108.800 -0.049 0.000 3.048 567 G HA2 0.019 nan 3.960 nan 0.000 0.151 567 G HA3 0.019 nan 3.960 nan 0.000 0.151 567 G C -0.720 174.157 174.900 -0.038 0.000 1.803 567 G CA -0.058 45.020 45.100 -0.038 0.000 1.047 567 G HN 0.539 8.802 8.290 -0.045 0.000 0.513 568 L N 0.403 121.608 121.223 -0.029 0.000 2.406 568 L HA 0.322 nan 4.340 nan 0.000 0.272 568 L C -0.496 176.360 176.870 -0.023 0.000 0.980 568 L CA 0.187 55.011 54.840 -0.027 0.000 0.831 568 L CB 2.023 44.068 42.059 -0.023 0.000 1.253 568 L HN 0.219 8.434 8.230 -0.025 0.000 0.406 569 S N 3.976 119.661 115.700 -0.025 0.000 3.169 569 S HA 0.140 nan 4.470 nan 0.000 0.174 569 S C -0.452 174.135 174.600 -0.022 0.000 0.696 569 S CA -0.062 58.124 58.200 -0.022 0.000 0.819 569 S CB 0.998 64.184 63.200 -0.024 0.000 0.867 569 S HN 0.362 8.655 8.310 -0.028 0.000 0.680 570 E N -0.755 119.431 120.200 -0.023 0.000 2.442 570 E HA 0.155 nan 4.350 nan 0.000 0.271 570 E C -1.696 174.891 176.600 -0.021 0.000 1.002 570 E CA -0.837 55.549 56.400 -0.023 0.000 0.864 570 E CB 2.520 32.204 29.700 -0.027 0.000 1.573 570 E HN -0.243 8.102 8.360 -0.025 0.000 0.456 571 N N 0.098 118.786 118.700 -0.020 0.000 2.267 571 N HA -0.133 nan 4.740 nan 0.000 0.266 571 N C -0.794 174.705 175.510 -0.018 0.000 1.295 571 N CA 0.263 53.303 53.050 -0.017 0.000 0.914 571 N CB 0.255 38.733 38.487 -0.015 0.000 1.083 571 N HN 0.016 8.559 8.380 -0.021 -0.175 0.507 572 A N -2.227 120.585 122.820 -0.014 0.000 2.404 572 A HA 0.030 nan 4.320 nan 0.000 0.273 572 A C -1.533 176.036 177.584 -0.025 0.000 1.144 572 A CA 0.244 52.271 52.037 -0.016 0.000 0.806 572 A CB 0.412 19.407 19.000 -0.008 0.000 1.080 572 A HN 0.077 8.221 8.150 -0.010 0.000 0.509 573 V N 3.764 123.655 119.914 -0.038 0.000 5.000 573 V HA 0.268 nan 4.120 nan 0.000 0.311 573 V C -0.818 175.224 176.094 -0.086 0.000 1.608 573 V CA -0.819 61.447 62.300 -0.058 0.000 0.814 573 V CB 2.318 34.109 31.823 -0.053 0.000 1.241 573 V HN -0.173 7.995 8.190 -0.036 0.000 0.451 574 C N 3.497 122.729 119.300 -0.113 0.000 3.424 574 C HA 0.210 nan 4.460 nan 0.000 0.577 574 C C 0.109 175.057 174.990 -0.070 0.000 1.086 574 C CA -0.248 58.692 59.018 -0.131 0.000 1.153 574 C CB -3.294 24.352 27.740 -0.158 0.000 1.411 574 C HN 0.390 8.555 8.230 -0.109 0.000 0.636 575 S N 3.450 119.119 115.700 -0.052 0.000 2.559 575 S HA 0.140 nan 4.470 nan 0.000 0.226 575 S C 0.827 175.419 174.600 -0.013 0.000 1.000 575 S CA 1.598 59.781 58.200 -0.027 0.000 0.948 575 S CB 1.089 64.271 63.200 -0.030 0.000 0.870 575 S HN 0.216 8.405 8.310 -0.060 0.085 0.497 576 D N 3.595 123.984 120.400 -0.019 0.000 2.103 576 D HA -0.241 nan 4.640 nan 0.000 0.190 576 D C 0.440 176.754 176.300 0.022 0.000 0.997 576 D CA 2.969 56.967 54.000 -0.003 0.000 0.833 576 D CB -0.229 40.567 40.800 -0.006 0.000 0.961 576 D HN -0.135 8.154 8.370 -0.043 0.056 0.447 577 A N -0.898 121.956 122.820 0.057 0.000 2.728 577 A HA 0.102 nan 4.320 nan 0.000 0.258 577 A C 1.331 178.986 177.584 0.118 0.000 1.454 577 A CA -0.240 51.853 52.037 0.094 0.000 1.146 577 A CB -1.410 17.702 19.000 0.187 0.000 0.985 577 A HN -0.111 8.073 8.150 0.057 0.000 0.603 578 V N -2.263 117.689 119.914 0.062 0.000 2.380 578 V HA -0.440 nan 4.120 nan 0.000 0.251 578 V C 1.335 177.529 176.094 0.166 0.000 1.063 578 V CA 2.724 65.055 62.300 0.052 0.000 1.055 578 V CB -1.230 30.548 31.823 -0.075 0.000 0.657 578 V HN 0.237 8.370 8.190 0.027 0.074 0.455 579 S N 2.867 118.680 115.700 0.189 0.000 2.349 579 S HA -0.257 nan 4.470 nan 0.000 0.216 579 S C 1.622 176.619 174.600 0.661 0.000 1.033 579 S CA 3.150 61.599 58.200 0.414 0.000 1.021 579 S CB 0.070 63.352 63.200 0.136 0.000 0.968 579 S HN 0.158 8.412 8.310 0.071 0.098 0.426 580 Y N -2.611 117.894 120.300 0.343 0.000 2.583 580 Y HA 0.031 nan 4.550 nan 0.000 0.293 580 Y C 0.076 176.282 175.900 0.509 0.000 1.157 580 Y CA -0.091 58.193 58.100 0.307 0.000 1.315 580 Y CB -0.283 38.243 38.460 0.109 0.000 1.021 580 Y HN 0.080 8.506 8.280 0.243 0.000 0.536 581 C N -4.812 114.894 119.300 0.676 0.000 3.217 581 C HA 0.348 nan 4.460 nan 0.000 0.220 581 C C -0.199 175.075 174.990 0.473 0.000 2.519 581 C CA -0.325 59.080 59.018 0.645 0.000 1.255 581 C CB 3.212 31.291 27.740 0.566 0.000 1.291 581 C HN -0.626 7.853 8.230 0.592 0.106 0.714 582 G N 0.208 109.211 108.800 0.339 0.000 2.240 582 G HA2 -0.084 nan 3.960 nan 0.000 0.199 582 G HA3 -0.084 nan 3.960 nan 0.000 0.199 582 G C -2.645 172.318 174.900 0.105 0.000 1.342 582 G CA -0.092 45.150 45.100 0.236 0.000 1.145 582 G HN 0.123 8.594 8.290 0.300 0.000 0.477 583 A N 0.204 123.061 122.820 0.060 0.000 2.609 583 A HA 0.199 nan 4.320 nan 0.000 0.291 583 A C -1.708 175.867 177.584 -0.015 0.000 1.096 583 A CA -0.844 51.195 52.037 0.003 0.000 0.684 583 A CB 2.690 21.680 19.000 -0.017 0.000 1.282 583 A HN 0.075 8.276 8.150 0.085 0.000 0.412 584 R N 0.626 121.102 120.500 -0.041 0.000 2.407 584 R HA 0.111 nan 4.340 nan 0.000 0.303 584 R C -0.932 175.344 176.300 -0.040 0.000 0.981 584 R CA -0.562 55.506 56.100 -0.054 0.000 0.905 584 R CB 0.808 31.062 30.300 -0.078 0.000 1.099 584 R HN 0.101 8.343 8.270 -0.046 0.000 0.459 585 D N -0.247 120.129 120.400 -0.040 0.000 2.713 585 D HA -0.248 nan 4.640 nan 0.000 0.231 585 D C -1.593 174.697 176.300 -0.016 0.000 1.173 585 D CA 1.704 55.687 54.000 -0.027 0.000 0.628 585 D CB -0.657 40.132 40.800 -0.020 0.000 1.033 585 D HN 0.141 8.479 8.370 -0.054 0.000 0.419 586 D N -2.069 118.324 120.400 -0.011 0.000 2.732 586 D HA 0.270 nan 4.640 nan 0.000 0.292 586 D C -1.627 174.682 176.300 0.014 0.000 1.135 586 D CA -1.706 52.290 54.000 -0.006 0.000 1.071 586 D CB 2.490 43.279 40.800 -0.018 0.000 1.457 586 D HN -0.570 7.785 8.370 -0.008 0.011 0.547 587 R N -0.131 120.378 120.500 0.015 0.000 2.719 587 R HA 0.196 nan 4.340 nan 0.000 0.233 587 R C -1.016 175.326 176.300 0.070 0.000 1.257 587 R CA -1.177 54.953 56.100 0.050 0.000 1.109 587 R CB 2.135 32.456 30.300 0.034 0.000 1.447 587 R HN 0.231 8.498 8.270 -0.005 0.000 0.537 588 Y N 1.425 121.730 120.300 0.008 0.000 2.637 588 Y HA 0.144 nan 4.550 nan 0.000 0.350 588 Y C -0.749 175.139 175.900 -0.020 0.000 1.069 588 Y CA -1.723 56.381 58.100 0.007 0.000 1.397 588 Y CB 0.408 38.868 38.460 0.001 0.000 1.163 588 Y HN 0.240 8.652 8.280 0.219 0.000 0.527 589 P HA -0.280 nan 4.420 nan 0.000 0.227 589 P C -1.667 175.526 177.300 -0.178 0.000 1.145 589 P CA 1.434 64.399 63.100 -0.225 0.000 0.769 589 P CB -0.104 31.458 31.700 -0.231 0.000 0.769 590 D N -3.594 116.717 120.400 -0.150 0.000 2.391 590 D HA 0.192 nan 4.640 nan 0.000 0.245 590 D C -0.514 175.789 176.300 0.005 0.000 1.069 590 D CA -2.298 51.663 54.000 -0.065 0.000 0.831 590 D CB 2.587 43.394 40.800 0.011 0.000 1.204 590 D HN -0.521 7.664 8.370 -0.114 0.116 0.503 591 K N 6.334 126.667 120.400 -0.112 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.615 177.109 176.600 -0.177 0.000 1.050 591 K CA 1.944 58.143 56.287 -0.147 0.000 0.927 591 K CB 0.265 32.638 32.500 -0.211 0.000 0.714 591 K HN -0.091 8.063 8.250 -0.161 0.000 0.447 592 K N -2.347 117.894 120.400 -0.265 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.092 176.386 176.600 -0.204 0.000 1.010 592 K CA -0.481 55.570 56.287 -0.392 0.000 0.929 592 K CB 0.582 32.527 32.500 -0.924 0.000 0.998 592 K HN -0.618 7.765 8.250 -0.239 -0.276 0.479 593 A N 2.172 124.899 122.820 -0.154 0.000 2.540 593 A HA -0.061 nan 4.320 nan 0.000 0.239 593 A C -0.130 177.382 177.584 -0.120 0.000 1.061 593 A CA 0.431 52.417 52.037 -0.084 0.000 0.758 593 A CB 0.480 19.515 19.000 0.058 0.000 0.991 593 A HN 0.438 8.484 8.150 -0.173 0.000 0.502 594 M N 3.466 122.838 119.600 -0.380 0.000 2.427 594 M HA -0.280 nan 4.480 nan 0.000 0.345 594 M C 0.867 176.876 176.300 -0.486 0.000 1.653 594 M CA 1.955 56.784 55.300 -0.786 0.000 1.138 594 M CB -0.560 31.083 32.600 -1.594 0.000 1.995 594 M HN 0.426 8.477 8.290 -0.398 0.000 0.459 595 G N 1.396 110.166 108.800 -0.051 0.000 3.134 595 G HA2 -0.193 nan 3.960 nan 0.000 0.195 595 G HA3 -0.193 nan 3.960 nan 0.000 0.195 595 G C -0.673 174.410 174.900 0.304 0.000 1.054 595 G CA -0.534 44.756 45.100 0.317 0.000 0.828 595 G HN -0.050 8.230 8.290 -0.018 0.000 0.462 596 F N 5.392 125.359 119.950 0.028 0.000 2.548 596 F HA -0.147 nan 4.527 nan 0.000 0.403 596 F C -1.784 173.848 175.800 -0.280 0.000 1.004 596 F CA -0.266 57.641 58.000 -0.155 0.000 1.177 596 F CB 0.835 39.733 39.000 -0.170 0.000 0.974 596 F HN -0.322 8.146 8.300 0.281 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.041 176.786 177.300 -0.925 0.000 1.151 597 P CA 2.014 64.100 63.100 -1.690 0.000 0.787 597 P CB 0.143 30.782 31.700 -1.769 0.000 0.788 598 F N -2.298 117.396 119.950 -0.427 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.062 175.717 175.800 -0.035 0.000 1.204 598 F CA -0.962 56.830 58.000 -0.347 0.000 1.417 598 F CB -1.969 36.606 39.000 -0.710 0.000 1.001 598 F HN 0.134 7.800 8.300 -0.832 0.135 0.508 599 D N 0.304 120.817 120.400 0.188 0.000 2.137 599 D HA -0.159 nan 4.640 nan 0.000 0.202 599 D C 0.591 177.004 176.300 0.188 0.000 0.970 599 D CA 2.437 56.597 54.000 0.265 0.000 0.837 599 D CB 0.246 41.240 40.800 0.323 0.000 0.981 599 D HN -0.081 8.269 8.370 0.141 0.105 0.475 600 R N -1.415 119.173 120.500 0.147 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.317 174.980 176.300 -0.004 0.000 1.219 600 R CA -1.109 55.004 56.100 0.022 0.000 1.121 600 R CB 1.696 31.912 30.300 -0.139 0.000 1.408 600 R HN -0.888 7.520 8.270 0.229 0.000 0.559 601 K N -0.225 120.150 120.400 -0.041 0.000 2.401 601 K HA -0.133 nan 4.320 nan 0.000 0.278 601 K C -0.147 176.439 176.600 -0.024 0.000 1.018 601 K CA 0.897 57.166 56.287 -0.030 0.000 0.981 601 K CB 0.129 32.608 32.500 -0.035 0.000 0.933 601 K HN 0.184 8.395 8.250 -0.065 0.000 0.477 602 I N 6.785 127.329 120.570 -0.043 0.000 2.382 602 I HA -0.004 nan 4.170 nan 0.000 0.286 602 I C -0.947 175.169 176.117 -0.003 0.000 1.002 602 I CA -0.719 60.547 61.300 -0.056 0.000 1.135 602 I CB 1.021 38.879 38.000 -0.238 0.000 1.288 602 I HN 0.327 8.852 8.210 -0.041 -0.340 0.448 603 E N 6.474 126.700 120.200 0.044 0.000 2.285 603 E HA -0.121 nan 4.350 nan 0.000 0.194 603 E C -0.160 176.470 176.600 0.049 0.000 0.997 603 E CA 1.099 57.525 56.400 0.044 0.000 0.845 603 E CB 0.324 30.059 29.700 0.058 0.000 0.782 603 E HN 0.447 8.851 8.360 0.073 0.000 0.491 604 A N -2.250 120.613 122.820 0.072 0.000 2.371 604 A HA 0.158 nan 4.320 nan 0.000 0.257 604 A C 0.208 177.826 177.584 0.057 0.000 1.089 604 A CA 0.527 52.617 52.037 0.088 0.000 0.794 604 A CB 0.622 19.721 19.000 0.166 0.000 1.029 604 A HN -0.316 7.823 8.150 0.084 0.061 0.488 605 R N -1.324 119.208 120.500 0.053 0.000 2.290 605 R HA 0.129 nan 4.340 nan 0.000 0.197 605 R C 0.074 176.392 176.300 0.030 0.000 0.913 605 R CA -0.436 55.682 56.100 0.030 0.000 1.040 605 R CB 0.075 30.387 30.300 0.020 0.000 0.992 605 R HN -0.134 8.575 8.270 0.060 -0.402 0.500 606 T N -1.923 112.666 114.554 0.058 0.000 2.893 606 T HA 0.327 nan 4.350 nan 0.000 0.291 606 T C -0.634 174.145 174.700 0.132 0.000 1.028 606 T CA -1.776 60.360 62.100 0.060 0.000 0.995 606 T CB 2.876 71.763 68.868 0.033 0.000 1.051 606 T HN -0.646 7.858 8.240 0.076 -0.218 0.470 607 A N 7.715 130.619 122.820 0.141 0.000 2.084 607 A HA -0.234 nan 4.320 nan 0.000 0.221 607 A C 0.621 178.354 177.584 0.249 0.000 1.161 607 A CA 2.899 55.113 52.037 0.295 0.000 0.653 607 A CB -0.235 18.905 19.000 0.234 0.000 0.802 607 A HN 0.527 8.724 8.150 0.079 0.000 0.457 608 A N -2.410 120.474 122.820 0.106 0.000 1.929 608 A HA -0.208 nan 4.320 nan 0.000 0.216 608 A C 2.387 180.057 177.584 0.144 0.000 1.176 608 A CA 2.299 54.382 52.037 0.078 0.000 0.628 608 A CB 0.116 19.130 19.000 0.024 0.000 0.816 608 A HN -0.281 7.882 8.150 0.067 0.027 0.444 609 E N -0.188 120.113 120.200 0.168 0.000 2.153 609 E HA -0.319 nan 4.350 nan 0.000 0.194 609 E C 1.750 178.496 176.600 0.244 0.000 0.988 609 E CA 2.338 58.841 56.400 0.171 0.000 0.811 609 E CB -0.139 29.655 29.700 0.157 0.000 0.746 609 E HN -0.452 7.891 8.360 0.159 0.112 0.466 610 F N -2.651 117.392 119.950 0.155 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.544 175.383 175.800 0.213 0.000 1.154 610 F CA 0.580 58.690 58.000 0.184 0.000 1.457 610 F CB 0.756 39.914 39.000 0.263 0.000 1.106 610 F HN -0.931 7.629 8.300 0.463 0.018 0.585 611 L N 1.132 122.505 121.223 0.251 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.909 175.979 176.870 0.030 0.000 1.141 611 L CA 0.134 55.078 54.840 0.173 0.000 0.905 611 L CB 0.311 42.447 42.059 0.129 0.000 1.202 611 L HN -0.707 7.486 8.230 0.261 0.193 0.473 612 T N 3.581 118.117 114.554 -0.029 0.000 2.918 612 T HA 0.483 nan 4.350 nan 0.000 0.283 612 T C -0.675 174.040 174.700 0.025 0.000 1.001 612 T CA -2.936 59.142 62.100 -0.036 0.000 1.041 612 T CB -0.090 68.720 68.868 -0.097 0.000 1.028 612 T HN -0.418 7.783 8.240 -0.066 0.000 0.511 613 P HA -0.047 nan 4.420 nan 0.000 0.236 613 P C -0.992 176.346 177.300 0.063 0.000 1.172 613 P CA 1.546 64.669 63.100 0.039 0.000 0.759 613 P CB -0.402 31.309 31.700 0.019 0.000 0.843 614 N N -6.266 112.481 118.700 0.079 0.000 2.328 614 N HA 0.098 nan 4.740 nan 0.000 0.247 614 N C -1.803 173.775 175.510 0.113 0.000 1.165 614 N CA -1.024 52.101 53.050 0.125 0.000 0.873 614 N CB 0.134 38.748 38.487 0.211 0.000 1.125 614 N HN 0.193 8.533 8.380 0.055 0.073 0.513 615 M N -0.772 118.912 119.600 0.140 0.000 2.619 615 M HA 0.529 nan 4.480 nan 0.000 0.297 615 M C -1.463 175.018 176.300 0.302 0.000 1.229 615 M CA -0.354 55.107 55.300 0.268 0.000 0.860 615 M CB 5.334 38.144 32.600 0.349 0.000 1.741 615 M HN -0.004 8.208 8.290 0.122 0.150 0.462 616 G N 0.213 109.252 108.800 0.398 0.000 2.635 616 G HA2 0.223 nan 3.960 nan 0.000 0.295 616 G HA3 0.223 nan 3.960 nan 0.000 0.295 616 G C -3.001 171.936 174.900 0.063 0.000 1.359 616 G CA 0.403 45.598 45.100 0.159 0.000 1.232 616 G HN 0.235 8.931 8.290 0.677 0.000 0.597 617 L N 3.383 124.466 121.223 -0.233 0.000 2.292 617 L HA 0.576 nan 4.340 nan 0.000 0.284 617 L C -0.633 176.214 176.870 -0.038 0.000 1.065 617 L CA -0.404 54.285 54.840 -0.251 0.000 0.806 617 L CB 1.186 42.994 42.059 -0.419 0.000 1.175 617 L HN 0.264 8.348 8.230 -0.243 0.000 0.431 618 T N 6.322 120.912 114.554 0.061 0.000 2.892 618 T HA 0.283 nan 4.350 nan 0.000 0.311 618 T C -1.304 173.444 174.700 0.080 0.000 1.033 618 T CA -0.662 61.488 62.100 0.082 0.000 0.991 618 T CB 0.909 69.865 68.868 0.147 0.000 0.981 618 T HN 0.449 8.641 8.240 0.114 0.116 0.457 619 D N 6.189 126.610 120.400 0.036 0.000 2.371 619 D HA 0.045 nan 4.640 nan 0.000 0.256 619 D C -0.727 175.606 176.300 0.055 0.000 1.193 619 D CA -0.169 53.849 54.000 0.031 0.000 0.881 619 D CB 0.273 41.060 40.800 -0.021 0.000 1.143 619 D HN 0.212 8.592 8.370 0.018 0.000 0.473 620 I N -3.723 116.900 120.570 0.090 0.000 2.785 620 I HA 0.482 nan 4.170 nan 0.000 0.302 620 I C -1.459 174.728 176.117 0.116 0.000 1.069 620 I CA -2.873 58.474 61.300 0.078 0.000 1.045 620 I CB 3.396 41.426 38.000 0.050 0.000 1.236 620 I HN -0.435 7.845 8.210 0.117 0.000 0.429 621 K N 1.190 121.629 120.400 0.064 0.000 2.118 621 K HA 0.749 nan 4.320 nan 0.000 0.254 621 K C -1.009 175.583 176.600 -0.013 0.000 0.961 621 K CA -2.340 53.996 56.287 0.083 0.000 0.876 621 K CB 1.828 34.357 32.500 0.048 0.000 1.077 621 K HN 0.426 8.581 8.250 0.027 0.111 0.440 622 I N 1.115 121.685 120.570 -0.001 0.000 2.498 622 I HA 0.553 nan 4.170 nan 0.000 0.290 622 I C -2.068 174.048 176.117 -0.000 0.000 1.032 622 I CA -0.974 60.267 61.300 -0.099 0.000 1.073 622 I CB 2.963 40.789 38.000 -0.289 0.000 1.251 622 I HN 0.722 9.008 8.210 0.126 0.000 0.426 623 K N 3.422 123.821 120.400 -0.001 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.599 175.065 176.600 0.107 0.000 0.938 623 K CA -2.370 53.940 56.287 0.038 0.000 0.796 623 K CB 3.039 35.522 32.500 -0.027 0.000 1.161 623 K HN 0.510 8.743 8.250 -0.028 0.000 0.425 624 F N 6.640 126.610 119.950 0.032 0.000 2.502 624 F HA -0.045 nan 4.527 nan 0.000 0.371 624 F C -1.469 174.429 175.800 0.163 0.000 1.083 624 F CA -1.170 56.865 58.000 0.058 0.000 1.174 624 F CB 0.556 39.559 39.000 0.006 0.000 1.096 624 F HN 0.303 8.637 8.300 0.274 0.130 0.545 625 H N 10.814 129.520 119.070 -0.606 0.000 3.215 625 H HA -0.054 nan 4.556 nan 0.000 0.253 625 H C -0.302 174.382 175.328 -1.073 0.000 1.102 625 H CA -0.004 55.704 56.048 -0.568 0.000 1.482 625 H CB -0.182 29.357 29.762 -0.371 0.000 1.542 625 H HN 0.167 8.137 8.280 -0.342 0.104 0.498 626 G N 0.000 108.212 108.800 -0.979 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 44.670 45.100 -0.717 0.000 0.502 626 G HN 0.000 7.996 8.290 -0.489 0.000 0.925