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_G 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 0.000 174.552 174.700 -0.247 0.000 1.109 1 T CA 0.000 62.011 62.100 -0.149 0.000 1.349 1 T CB 0.000 68.813 68.868 -0.091 0.000 0.612 2 V N 1.878 121.628 119.914 -0.275 0.000 2.759 2 V HA -0.139 nan 4.120 nan 0.000 0.256 2 V C 1.241 177.190 176.094 -0.242 0.000 1.080 2 V CA 2.473 64.572 62.300 -0.335 0.000 1.101 2 V CB -0.527 31.110 31.823 -0.310 0.000 0.698 2 V HN 0.562 8.619 8.190 -0.222 0.000 0.477 3 A N 0.099 122.821 122.820 -0.163 0.000 1.835 3 A HA -0.329 nan 4.320 nan 0.000 0.215 3 A C 0.603 178.133 177.584 -0.090 0.000 1.199 3 A CA 3.530 55.499 52.037 -0.113 0.000 0.615 3 A CB -0.894 18.061 19.000 -0.075 0.000 0.838 3 A HN -0.084 7.964 8.150 -0.148 0.013 0.444 4 D N -1.715 118.645 120.400 -0.066 0.000 2.182 4 D HA -0.296 nan 4.640 nan 0.000 0.201 4 D C 2.191 178.500 176.300 0.015 0.000 0.986 4 D CA 3.133 57.129 54.000 -0.006 0.000 0.847 4 D CB -0.599 40.218 40.800 0.029 0.000 0.942 4 D HN 0.045 8.371 8.370 -0.072 0.000 0.467 5 K N -0.056 120.272 120.400 -0.121 0.000 2.009 5 K HA -0.438 nan 4.320 nan 0.000 0.210 5 K C 2.504 179.087 176.600 -0.028 0.000 1.049 5 K CA 3.007 59.183 56.287 -0.185 0.000 0.929 5 K CB -0.107 31.907 32.500 -0.811 0.000 0.714 5 K HN -0.114 7.993 8.250 -0.206 0.019 0.440 6 Q N -2.168 117.567 119.800 -0.109 0.000 2.061 6 Q HA -0.323 nan 4.340 nan 0.000 0.204 6 Q C 2.452 178.443 176.000 -0.015 0.000 0.984 6 Q CA 2.876 58.629 55.803 -0.083 0.000 0.846 6 Q CB -0.027 28.633 28.738 -0.130 0.000 0.902 6 Q HN -0.570 7.593 8.270 -0.177 0.000 0.421 7 A N -3.530 119.295 122.820 0.009 0.000 2.248 7 A HA -0.158 nan 4.320 nan 0.000 0.210 7 A C 0.823 178.470 177.584 0.106 0.000 1.174 7 A CA 1.618 53.685 52.037 0.050 0.000 0.750 7 A CB -0.681 18.344 19.000 0.041 0.000 0.780 7 A HN -0.076 8.000 8.150 -0.014 0.065 0.478 8 R N -3.373 117.218 120.500 0.152 0.000 2.121 8 R HA 0.082 nan 4.340 nan 0.000 0.206 8 R C 1.912 178.348 176.300 0.226 0.000 1.094 8 R CA 2.106 58.326 56.100 0.200 0.000 1.055 8 R CB 0.658 31.114 30.300 0.259 0.000 0.964 8 R HN -0.595 7.605 8.270 0.152 0.160 0.473 9 L N 0.249 121.618 121.223 0.244 0.000 1.976 9 L HA -0.349 nan 4.340 nan 0.000 0.209 9 L C 2.307 179.373 176.870 0.325 0.000 1.071 9 L CA 3.800 58.816 54.840 0.293 0.000 0.746 9 L CB -0.087 42.097 42.059 0.209 0.000 0.890 9 L HN -0.605 7.764 8.230 0.232 0.000 0.432 10 M N -2.693 116.969 119.600 0.103 0.000 2.117 10 M HA -0.284 nan 4.480 nan 0.000 0.262 10 M C -1.109 175.406 176.300 0.358 0.000 1.065 10 M CA 5.610 60.957 55.300 0.077 0.000 1.114 10 M CB -2.426 29.965 32.600 -0.349 0.000 1.361 10 M HN -0.557 7.754 8.290 0.035 0.000 0.408 11 P HA -0.282 nan 4.420 nan 0.000 0.217 11 P C 0.318 177.768 177.300 0.250 0.000 1.151 11 P CA 2.915 66.164 63.100 0.248 0.000 0.849 11 P CB -0.587 31.221 31.700 0.179 0.000 0.787 12 L N -5.445 115.948 121.223 0.283 0.000 2.093 12 L HA -0.247 nan 4.340 nan 0.000 0.208 12 L C 1.011 177.995 176.870 0.190 0.000 1.085 12 L CA 1.971 56.939 54.840 0.213 0.000 0.755 12 L CB -0.054 42.128 42.059 0.205 0.000 0.904 12 L HN -0.745 7.583 8.230 0.310 0.088 0.435 13 F N -5.423 114.639 119.950 0.186 0.000 2.802 13 F HA -0.129 nan 4.527 nan 0.000 0.300 13 F C 0.560 176.442 175.800 0.137 0.000 1.168 13 F CA 1.035 59.157 58.000 0.202 0.000 1.433 13 F CB -0.287 38.905 39.000 0.320 0.000 1.115 13 F HN -0.625 8.092 8.300 0.812 0.070 0.582 14 K N 0.569 121.121 120.400 0.253 0.000 2.110 14 K HA -0.139 nan 4.320 nan 0.000 0.260 14 K C -1.323 175.082 176.600 -0.326 0.000 1.126 14 K CA 0.627 56.835 56.287 -0.132 0.000 1.005 14 K CB -1.288 31.192 32.500 -0.033 0.000 1.336 14 K HN -0.345 7.950 8.250 0.351 0.166 0.369 15 H N -1.837 117.206 119.070 -0.044 0.000 3.138 15 H HA -0.360 nan 4.556 nan 0.000 0.337 15 H C -0.601 174.666 175.328 -0.102 0.000 1.347 15 H CA -0.129 55.860 56.048 -0.099 0.000 1.254 15 H CB -3.366 26.318 29.762 -0.130 0.000 1.456 15 H HN 0.241 8.278 8.280 -0.364 0.024 0.453 16 L N -0.323 120.845 121.223 -0.092 0.000 1.933 16 L HA -0.337 nan 4.340 nan 0.000 0.220 16 L C 1.126 177.928 176.870 -0.113 0.000 1.078 16 L CA 3.097 57.836 54.840 -0.169 0.000 0.773 16 L CB -0.319 41.557 42.059 -0.304 0.000 0.890 16 L HN -0.140 8.015 8.230 -0.126 0.000 0.434 17 T N 0.504 115.018 114.554 -0.067 0.000 2.668 17 T HA -0.538 nan 4.350 nan 0.000 0.265 17 T C 2.013 176.704 174.700 -0.016 0.000 1.041 17 T CA 4.336 66.447 62.100 0.019 0.000 1.160 17 T CB -1.051 67.871 68.868 0.089 0.000 0.857 17 T HN 0.299 8.472 8.240 -0.112 0.000 0.455 18 A N 0.833 123.636 122.820 -0.028 0.000 2.186 18 A HA -0.186 nan 4.320 nan 0.000 0.219 18 A C 2.338 179.887 177.584 -0.058 0.000 1.159 18 A CA 2.320 54.334 52.037 -0.040 0.000 0.680 18 A CB -1.138 17.837 19.000 -0.041 0.000 0.787 18 A HN 0.058 8.175 8.150 -0.024 0.020 0.467 19 L N -2.400 118.777 121.223 -0.075 0.000 2.191 19 L HA -0.363 nan 4.340 nan 0.000 0.212 19 L C 1.771 178.564 176.870 -0.128 0.000 1.103 19 L CA 2.337 57.115 54.840 -0.102 0.000 0.769 19 L CB -0.447 41.533 42.059 -0.131 0.000 0.908 19 L HN 0.140 8.273 8.230 -0.074 0.053 0.438 20 T N -1.737 112.748 114.554 -0.115 0.000 2.737 20 T HA -0.267 nan 4.350 nan 0.000 0.269 20 T C -0.156 174.476 174.700 -0.114 0.000 1.040 20 T CA 2.692 64.717 62.100 -0.124 0.000 1.142 20 T CB -0.024 68.797 68.868 -0.077 0.000 0.861 20 T HN 0.004 8.021 8.240 -0.087 0.171 0.456 21 R N 0.131 120.579 120.500 -0.086 0.000 2.265 21 R HA 0.232 nan 4.340 nan 0.000 0.328 21 R C -0.957 175.297 176.300 -0.076 0.000 0.969 21 R CA -0.162 55.892 56.100 -0.076 0.000 0.832 21 R CB 1.090 31.356 30.300 -0.057 0.000 1.139 21 R HN -0.789 7.415 8.270 -0.076 0.020 0.457 22 E N 3.752 123.904 120.200 -0.080 0.000 2.435 22 E HA 0.245 nan 4.350 nan 0.000 0.272 22 E C -1.925 174.637 176.600 -0.063 0.000 1.031 22 E CA -2.016 54.341 56.400 -0.072 0.000 0.872 22 E CB 4.684 34.335 29.700 -0.082 0.000 1.588 22 E HN 0.005 8.313 8.360 -0.088 0.000 0.460 23 K N 0.328 120.696 120.400 -0.053 0.000 2.276 23 K HA 0.046 nan 4.320 nan 0.000 0.283 23 K C -1.058 175.515 176.600 -0.045 0.000 1.044 23 K CA 0.551 56.813 56.287 -0.042 0.000 0.944 23 K CB 0.480 32.961 32.500 -0.032 0.000 1.012 23 K HN 0.320 8.539 8.250 -0.051 0.000 0.472 24 L N 5.274 126.472 121.223 -0.041 0.000 2.722 24 L HA 0.250 nan 4.340 nan 0.000 0.244 24 L C -2.154 174.696 176.870 -0.032 0.000 1.023 24 L CA -0.795 54.021 54.840 -0.039 0.000 0.988 24 L CB 0.378 42.403 42.059 -0.056 0.000 1.245 24 L HN -0.071 8.135 8.230 -0.039 0.000 0.508 25 P HA 0.012 nan 4.420 nan 0.000 0.216 25 P C -1.194 176.095 177.300 -0.019 0.000 1.150 25 P CA 1.356 64.444 63.100 -0.020 0.000 0.837 25 P CB 0.370 32.061 31.700 -0.016 0.000 0.786 26 L N -0.746 120.466 121.223 -0.018 0.000 2.476 26 L HA 0.257 nan 4.340 nan 0.000 0.269 26 L C 0.395 177.255 176.870 -0.018 0.000 0.965 26 L CA -0.936 53.894 54.840 -0.016 0.000 0.845 26 L CB 2.416 44.468 42.059 -0.011 0.000 1.259 26 L HN -0.709 7.489 8.230 -0.018 0.021 0.403 27 D N 4.031 124.419 120.400 -0.020 0.000 2.203 27 D HA -0.442 nan 4.640 nan 0.000 0.199 27 D C 0.791 177.081 176.300 -0.016 0.000 0.997 27 D CA 3.010 56.997 54.000 -0.022 0.000 0.863 27 D CB -0.219 40.569 40.800 -0.019 0.000 0.928 27 D HN 0.626 8.984 8.370 -0.019 0.000 0.458 28 Q N -0.681 119.114 119.800 -0.010 0.000 2.242 28 Q HA -0.357 nan 4.340 nan 0.000 0.211 28 Q C 2.277 178.276 176.000 -0.002 0.000 0.992 28 Q CA 2.485 58.285 55.803 -0.005 0.000 0.889 28 Q CB -1.160 27.576 28.738 -0.003 0.000 0.913 28 Q HN 0.256 8.482 8.270 -0.010 0.038 0.422 29 R N -0.941 119.558 120.500 -0.002 0.000 2.159 29 R HA -0.351 nan 4.340 nan 0.000 0.252 29 R C 1.485 177.786 176.300 0.003 0.000 1.144 29 R CA 2.007 58.110 56.100 0.004 0.000 0.961 29 R CB -0.302 30.000 30.300 0.004 0.000 0.877 29 R HN -0.593 7.650 8.270 -0.005 0.024 0.444 30 D N -1.752 118.643 120.400 -0.008 0.000 2.590 30 D HA 0.323 nan 4.640 nan 0.000 0.280 30 D C -0.288 176.009 176.300 -0.005 0.000 1.197 30 D CA -0.585 53.409 54.000 -0.010 0.000 0.967 30 D CB -0.211 40.573 40.800 -0.027 0.000 0.987 30 D HN -0.188 8.156 8.370 -0.013 0.018 0.508 31 E N 1.844 122.045 120.200 0.001 0.000 2.197 31 E HA -0.543 nan 4.350 nan 0.000 0.205 31 E C 1.823 178.426 176.600 0.006 0.000 1.029 31 E CA 3.498 59.901 56.400 0.004 0.000 0.828 31 E CB -0.517 29.188 29.700 0.008 0.000 0.737 31 E HN -0.309 7.984 8.360 0.003 0.069 0.464 32 R N -1.685 118.819 120.500 0.007 0.000 2.143 32 R HA -0.308 nan 4.340 nan 0.000 0.239 32 R C 1.561 177.866 176.300 0.008 0.000 1.126 32 R CA 2.254 58.360 56.100 0.010 0.000 0.927 32 R CB -0.259 30.048 30.300 0.011 0.000 0.860 32 R HN 0.096 8.383 8.270 0.008 -0.012 0.433 33 L N -3.734 117.489 121.223 0.001 0.000 2.627 33 L HA 0.130 nan 4.340 nan 0.000 0.232 33 L C 0.396 177.265 176.870 -0.003 0.000 1.150 33 L CA -0.887 53.952 54.840 -0.002 0.000 0.917 33 L CB -0.950 41.103 42.059 -0.010 0.000 1.104 33 L HN -0.129 8.001 8.230 -0.004 0.098 0.445 34 K N 0.379 120.779 120.400 0.000 0.000 2.163 34 K HA -0.476 nan 4.320 nan 0.000 0.222 34 K C 1.190 177.792 176.600 0.003 0.000 0.990 34 K CA 2.883 59.171 56.287 0.002 0.000 0.959 34 K CB -1.606 30.897 32.500 0.006 0.000 0.882 34 K HN -0.593 7.573 8.250 0.001 0.085 0.472 35 G N -3.853 104.951 108.800 0.007 0.000 2.719 35 G HA2 0.030 nan 3.960 nan 0.000 0.211 35 G HA3 0.030 nan 3.960 nan 0.000 0.211 35 G C -1.449 173.458 174.900 0.012 0.000 1.140 35 G CA -0.540 44.568 45.100 0.012 0.000 0.790 35 G HN 0.075 8.324 8.290 0.007 0.046 0.529 36 V N 0.369 120.286 119.914 0.005 0.000 2.465 36 V HA 0.156 nan 4.120 nan 0.000 0.279 36 V C -0.966 175.121 176.094 -0.011 0.000 1.045 36 V CA -0.203 62.097 62.300 0.001 0.000 0.938 36 V CB 0.190 32.009 31.823 -0.006 0.000 0.986 36 V HN -0.552 7.639 8.190 0.002 0.000 0.467 37 G N 7.527 116.320 108.800 -0.011 0.000 4.820 37 G HA2 0.059 nan 3.960 nan 0.000 0.223 37 G HA3 0.059 nan 3.960 nan 0.000 0.223 37 G C -0.656 174.235 174.900 -0.016 0.000 1.029 37 G CA 0.869 45.954 45.100 -0.026 0.000 1.144 37 G HN 0.396 8.687 8.290 0.002 0.000 0.618 38 I N -3.881 116.690 120.570 0.001 0.000 3.816 38 I HA 0.133 nan 4.170 nan 0.000 0.334 38 I C -1.724 174.423 176.117 0.048 0.000 1.551 38 I CA -0.561 60.756 61.300 0.028 0.000 1.153 38 I CB 0.001 38.029 38.000 0.047 0.000 1.197 38 I HN -0.617 7.592 8.210 -0.002 0.000 0.439 39 L N 1.606 122.832 121.223 0.006 0.000 2.611 39 L HA 0.498 nan 4.340 nan 0.000 0.263 39 L C -2.481 174.364 176.870 -0.041 0.000 0.969 39 L CA -1.865 52.972 54.840 -0.005 0.000 0.894 39 L CB 3.475 45.495 42.059 -0.065 0.000 1.229 39 L HN -0.486 7.654 8.230 -0.022 0.077 0.416 40 P HA 0.351 nan 4.420 nan 0.000 0.279 40 P C -0.901 176.375 177.300 -0.040 0.000 1.318 40 P CA -0.744 62.336 63.100 -0.034 0.000 0.819 40 P CB -0.297 31.392 31.700 -0.019 0.000 0.927 41 R N 5.318 125.783 120.500 -0.058 0.000 3.726 41 R HA -0.389 nan 4.340 nan 0.000 0.510 41 R C -0.116 176.159 176.300 -0.041 0.000 0.241 41 R CA 1.332 57.400 56.100 -0.054 0.000 1.592 41 R CB -2.161 28.114 30.300 -0.042 0.000 0.955 41 R HN -0.117 8.109 8.270 -0.073 0.000 0.585 42 G N 1.840 110.628 108.800 -0.021 0.000 3.353 42 G HA2 0.038 nan 3.960 nan 0.000 0.247 42 G HA3 0.038 nan 3.960 nan 0.000 0.247 42 G C -0.762 174.140 174.900 0.004 0.000 1.025 42 G CA -0.275 44.821 45.100 -0.006 0.000 1.863 42 G HN 0.426 8.705 8.290 -0.018 0.000 0.635 43 T N -0.645 113.911 114.554 0.004 0.000 2.749 43 T HA 0.039 nan 4.350 nan 0.000 0.295 43 T C 0.242 174.976 174.700 0.057 0.000 0.936 43 T CA -1.168 60.949 62.100 0.028 0.000 1.060 43 T CB 1.123 70.007 68.868 0.027 0.000 0.904 43 T HN -0.535 7.600 8.240 -0.012 0.099 0.500 44 L N 5.008 126.283 121.223 0.087 0.000 2.505 44 L HA 0.024 nan 4.340 nan 0.000 0.279 44 L C -0.163 176.788 176.870 0.135 0.000 1.211 44 L CA -0.520 54.379 54.840 0.099 0.000 1.059 44 L CB -1.137 40.977 42.059 0.092 0.000 1.340 44 L HN 0.118 8.404 8.230 0.094 0.000 0.447 45 F N 7.891 127.787 119.950 -0.090 0.000 2.539 45 F HA -0.279 nan 4.527 nan 0.000 0.393 45 F C -1.027 174.746 175.800 -0.045 0.000 1.032 45 F CA 0.442 58.344 58.000 -0.163 0.000 1.120 45 F CB 0.132 38.985 39.000 -0.245 0.000 1.014 45 F HN -0.239 8.101 8.300 0.172 0.064 0.546 46 S N 6.447 122.063 115.700 -0.140 0.000 2.429 46 S HA 0.217 nan 4.470 nan 0.000 0.302 46 S C 0.877 175.183 174.600 -0.489 0.000 1.115 46 S CA -1.418 56.609 58.200 -0.287 0.000 1.095 46 S CB 1.648 64.787 63.200 -0.102 0.000 0.987 46 S HN -0.332 8.017 8.310 0.065 0.000 0.474 47 C N 5.265 124.063 119.300 -0.837 0.000 2.413 47 C HA -0.167 nan 4.460 nan 0.000 0.276 47 C C 0.821 175.432 174.990 -0.632 0.000 1.248 47 C CA 2.610 61.006 59.018 -1.037 0.000 1.742 47 C CB -1.307 25.829 27.740 -1.007 0.000 2.017 47 C HN 0.726 8.536 8.230 -0.701 0.000 0.481 48 F N -5.317 114.474 119.950 -0.266 0.000 2.546 48 F HA -0.175 nan 4.527 nan 0.000 0.298 48 F C 0.384 176.012 175.800 -0.286 0.000 1.120 48 F CA 1.272 59.108 58.000 -0.274 0.000 1.456 48 F CB -0.258 38.587 39.000 -0.258 0.000 1.088 48 F HN -0.815 7.324 8.300 -0.268 0.000 0.572 49 H N 1.814 120.840 119.070 -0.073 0.000 2.975 49 H HA -0.063 nan 4.556 nan 0.000 0.303 49 H C 0.277 175.550 175.328 -0.092 0.000 1.023 49 H CA 0.303 56.318 56.048 -0.055 0.000 1.473 49 H CB 1.923 31.647 29.762 -0.063 0.000 1.498 49 H HN -0.496 7.747 8.280 0.045 0.064 0.549 50 A N 7.933 130.434 122.820 -0.531 0.000 1.927 50 A HA -0.376 nan 4.320 nan 0.000 0.220 50 A C 1.723 179.275 177.584 -0.053 0.000 1.185 50 A CA 3.499 55.413 52.037 -0.205 0.000 0.639 50 A CB -0.328 18.768 19.000 0.160 0.000 0.820 50 A HN 0.816 8.564 8.150 -0.670 0.000 0.451 51 R N -3.303 117.176 120.500 -0.035 0.000 2.120 51 R HA -0.348 nan 4.340 nan 0.000 0.234 51 R C 2.218 178.569 176.300 0.085 0.000 1.123 51 R CA 2.964 59.080 56.100 0.026 0.000 0.975 51 R CB -0.844 29.469 30.300 0.022 0.000 0.866 51 R HN 0.061 8.274 8.270 -0.094 0.000 0.446 52 H N -0.491 118.688 119.070 0.182 0.000 2.470 52 H HA -0.039 nan 4.556 nan 0.000 0.289 52 H C 2.780 178.198 175.328 0.151 0.000 1.033 52 H CA 1.809 57.981 56.048 0.207 0.000 1.331 52 H CB -0.392 29.585 29.762 0.359 0.000 1.414 52 H HN 0.360 8.612 8.280 0.003 0.029 0.545 53 L N -0.611 120.724 121.223 0.187 0.000 2.072 53 L HA -0.317 nan 4.340 nan 0.000 0.205 53 L C 1.571 178.522 176.870 0.134 0.000 1.079 53 L CA 2.624 57.545 54.840 0.135 0.000 0.752 53 L CB -0.624 41.470 42.059 0.059 0.000 0.906 53 L HN -0.676 7.632 8.230 0.130 0.000 0.436 54 A N -0.631 122.254 122.820 0.109 0.000 1.865 54 A HA -0.433 nan 4.320 nan 0.000 0.217 54 A C 2.099 179.730 177.584 0.079 0.000 1.191 54 A CA 3.290 55.385 52.037 0.097 0.000 0.623 54 A CB -1.117 17.935 19.000 0.087 0.000 0.826 54 A HN -0.439 7.767 8.150 0.094 0.000 0.444 55 E N -1.670 118.586 120.200 0.094 0.000 2.070 55 E HA -0.434 nan 4.350 nan 0.000 0.197 55 E C 2.499 179.087 176.600 -0.020 0.000 1.004 55 E CA 2.976 59.415 56.400 0.065 0.000 0.805 55 E CB -0.123 29.654 29.700 0.130 0.000 0.744 55 E HN 0.319 8.647 8.360 0.128 0.109 0.451 56 A N -2.024 120.764 122.820 -0.053 0.000 2.019 56 A HA -0.182 nan 4.320 nan 0.000 0.219 56 A C 2.114 179.393 177.584 -0.508 0.000 1.164 56 A CA 2.898 54.748 52.037 -0.312 0.000 0.644 56 A CB -0.674 18.154 19.000 -0.285 0.000 0.805 56 A HN -0.080 7.977 8.150 0.045 0.120 0.449 57 T N 0.474 114.975 114.554 -0.089 0.000 3.023 57 T HA -0.172 nan 4.350 nan 0.000 0.266 57 T C 1.696 176.439 174.700 0.073 0.000 1.093 57 T CA 3.777 65.962 62.100 0.143 0.000 1.129 57 T CB -0.698 68.323 68.868 0.255 0.000 0.899 57 T HN 0.024 8.134 8.240 0.017 0.140 0.491 58 E N 2.725 122.932 120.200 0.013 0.000 2.049 58 E HA -0.339 nan 4.350 nan 0.000 0.198 58 E C 1.601 178.196 176.600 -0.008 0.000 1.007 58 E CA 3.344 59.750 56.400 0.010 0.000 0.809 58 E CB -0.576 29.127 29.700 0.003 0.000 0.749 58 E HN -0.427 7.939 8.360 0.010 0.000 0.450 59 L N -1.259 119.906 121.223 -0.097 0.000 2.093 59 L HA -0.338 nan 4.340 nan 0.000 0.208 59 L C 2.427 179.267 176.870 -0.051 0.000 1.085 59 L CA 3.788 58.560 54.840 -0.112 0.000 0.755 59 L CB -0.246 41.694 42.059 -0.198 0.000 0.904 59 L HN -0.663 7.407 8.230 -0.142 0.075 0.435 60 Y N -2.218 118.158 120.300 0.127 0.000 2.163 60 Y HA -0.388 nan 4.550 nan 0.000 0.288 60 Y C 2.368 178.416 175.900 0.247 0.000 1.136 60 Y CA 3.217 61.441 58.100 0.207 0.000 1.147 60 Y CB -1.419 37.176 38.460 0.226 0.000 0.987 60 Y HN 0.212 8.127 8.280 -0.293 0.190 0.509 61 V N -4.079 115.995 119.914 0.266 0.000 2.427 61 V HA -0.395 nan 4.120 nan 0.000 0.248 61 V C 1.770 177.954 176.094 0.149 0.000 1.051 61 V CA 2.592 64.998 62.300 0.176 0.000 1.048 61 V CB -1.373 30.502 31.823 0.087 0.000 0.666 61 V HN -0.052 8.269 8.190 0.219 0.000 0.456 62 A N 0.848 123.733 122.820 0.109 0.000 1.841 62 A HA -0.279 nan 4.320 nan 0.000 0.216 62 A C 2.227 179.868 177.584 0.094 0.000 1.199 62 A CA 2.986 55.071 52.037 0.080 0.000 0.621 62 A CB -0.609 18.419 19.000 0.047 0.000 0.835 62 A HN -0.043 8.162 8.150 0.091 0.000 0.445 63 L N -1.963 119.306 121.223 0.076 0.000 2.131 63 L HA -0.340 nan 4.340 nan 0.000 0.210 63 L C 2.325 179.186 176.870 -0.015 0.000 1.092 63 L CA 2.603 57.453 54.840 0.017 0.000 0.759 63 L CB -0.732 41.285 42.059 -0.071 0.000 0.903 63 L HN 0.084 8.250 8.230 0.083 0.113 0.435 64 Y N -2.848 117.508 120.300 0.094 0.000 2.224 64 Y HA -0.290 nan 4.550 nan 0.000 0.289 64 Y C 2.134 178.049 175.900 0.026 0.000 1.146 64 Y CA 2.695 60.820 58.100 0.042 0.000 1.182 64 Y CB -0.164 38.285 38.460 -0.020 0.000 0.983 64 Y HN -0.355 8.059 8.280 0.244 0.012 0.524 65 G N -1.734 107.176 108.800 0.184 0.000 3.458 65 G HA2 0.017 nan 3.960 nan 0.000 0.256 65 G HA3 0.017 nan 3.960 nan 0.000 0.256 65 G C -2.280 172.673 174.900 0.089 0.000 0.938 65 G CA -0.724 44.444 45.100 0.113 0.000 1.890 65 G HN -0.408 7.850 8.290 0.181 0.140 0.639 66 A N 1.169 124.043 122.820 0.090 0.000 2.256 66 A HA 0.451 nan 4.320 nan 0.000 0.318 66 A C -0.571 177.049 177.584 0.060 0.000 1.103 66 A CA -1.366 50.723 52.037 0.086 0.000 0.860 66 A CB 1.466 20.542 19.000 0.127 0.000 1.182 66 A HN -0.400 7.735 8.150 0.090 0.068 0.501 67 K N -0.020 120.414 120.400 0.057 0.000 2.051 67 K HA -0.054 nan 4.320 nan 0.000 0.212 67 K C -0.155 176.481 176.600 0.059 0.000 1.032 67 K CA 0.863 57.181 56.287 0.053 0.000 0.982 67 K CB 0.093 32.622 32.500 0.049 0.000 1.002 67 K HN 0.569 9.012 8.250 0.059 -0.158 0.452 68 D N -2.912 117.530 120.400 0.070 0.000 2.589 68 D HA -0.005 nan 4.640 nan 0.000 0.268 68 D C 1.062 177.416 176.300 0.091 0.000 1.182 68 D CA -0.598 53.467 54.000 0.109 0.000 1.087 68 D CB 1.046 41.925 40.800 0.132 0.000 1.186 68 D HN -0.399 8.010 8.370 0.064 0.000 0.620 69 F N -1.033 118.971 119.950 0.090 0.000 2.365 69 F HA -0.190 nan 4.527 nan 0.000 0.300 69 F C 1.255 177.177 175.800 0.205 0.000 1.090 69 F CA 2.631 60.719 58.000 0.147 0.000 1.408 69 F CB 0.627 39.677 39.000 0.083 0.000 1.060 69 F HN 0.147 8.681 8.300 0.390 0.000 0.534 70 N N -0.402 118.333 118.700 0.057 0.000 2.132 70 N HA -0.232 nan 4.740 nan 0.000 0.187 70 N C 1.486 176.959 175.510 -0.063 0.000 1.038 70 N CA 3.024 56.078 53.050 0.006 0.000 0.846 70 N CB -0.271 38.268 38.487 0.086 0.000 1.012 70 N HN -0.431 8.492 8.380 0.158 -0.448 0.429 71 D N 0.666 121.062 120.400 -0.007 0.000 2.182 71 D HA -0.282 nan 4.640 nan 0.000 0.201 71 D C 1.876 178.147 176.300 -0.048 0.000 0.986 71 D CA 3.080 57.086 54.000 0.009 0.000 0.847 71 D CB 0.087 40.910 40.800 0.038 0.000 0.942 71 D HN -0.521 8.158 8.370 0.023 -0.295 0.467 72 F N 0.611 120.392 119.950 -0.282 0.000 2.091 72 F HA -0.380 nan 4.527 nan 0.000 0.299 72 F C 1.319 176.870 175.800 -0.416 0.000 1.103 72 F CA 3.259 61.019 58.000 -0.399 0.000 1.228 72 F CB 0.089 38.696 39.000 -0.654 0.000 0.984 72 F HN -0.487 7.807 8.300 -0.008 0.001 0.477 73 I N -2.078 118.075 120.570 -0.694 0.000 2.252 73 I HA -0.527 nan 4.170 nan 0.000 0.245 73 I C 1.971 177.891 176.117 -0.329 0.000 1.102 73 I CA 2.276 63.208 61.300 -0.613 0.000 1.385 73 I CB -1.561 36.195 38.000 -0.407 0.000 1.064 73 I HN -0.378 7.403 8.210 -0.510 0.123 0.414 74 H N 1.324 120.250 119.070 -0.239 0.000 2.321 74 H HA -0.294 nan 4.556 nan 0.000 0.300 74 H C 2.311 177.553 175.328 -0.144 0.000 1.087 74 H CA 3.533 59.493 56.048 -0.147 0.000 1.319 74 H CB 0.050 29.758 29.762 -0.091 0.000 1.379 74 H HN -0.433 7.788 8.280 -0.097 0.000 0.501 75 L N -1.138 119.834 121.223 -0.419 0.000 2.043 75 L HA -0.392 nan 4.340 nan 0.000 0.212 75 L C 1.577 178.268 176.870 -0.298 0.000 1.075 75 L CA 3.621 58.248 54.840 -0.354 0.000 0.752 75 L CB -0.516 41.426 42.059 -0.196 0.000 0.891 75 L HN -0.123 7.954 8.230 -0.256 0.000 0.432 76 C N -1.766 117.343 119.300 -0.318 0.000 2.432 76 C HA -0.375 nan 4.460 nan 0.000 0.280 76 C C 2.270 177.181 174.990 -0.133 0.000 1.353 76 C CA 3.088 62.030 59.018 -0.128 0.000 1.766 76 C CB -2.218 25.331 27.740 -0.319 0.000 1.924 76 C HN -0.236 7.655 8.230 -0.451 0.069 0.509 77 E N 0.575 120.648 120.200 -0.211 0.000 2.031 77 E HA -0.448 nan 4.350 nan 0.000 0.193 77 E C 1.688 178.160 176.600 -0.214 0.000 0.994 77 E CA 3.275 59.579 56.400 -0.161 0.000 0.800 77 E CB -0.310 29.349 29.700 -0.068 0.000 0.752 77 E HN 0.152 8.265 8.360 -0.261 0.091 0.447 78 Q N -1.056 118.560 119.800 -0.306 0.000 1.969 78 Q HA -0.209 nan 4.340 nan 0.000 0.198 78 Q C 2.573 178.439 176.000 -0.222 0.000 0.978 78 Q CA 2.709 58.359 55.803 -0.255 0.000 0.830 78 Q CB 0.313 28.846 28.738 -0.340 0.000 0.896 78 Q HN -0.307 7.699 8.270 -0.440 0.000 0.431 79 A N -1.001 121.690 122.820 -0.214 0.000 1.978 79 A HA -0.301 nan 4.320 nan 0.000 0.220 79 A C 1.927 179.327 177.584 -0.307 0.000 1.170 79 A CA 3.128 55.057 52.037 -0.181 0.000 0.636 79 A CB -0.983 17.971 19.000 -0.077 0.000 0.810 79 A HN 0.115 8.134 8.150 -0.218 0.000 0.448 80 R N -1.820 118.371 120.500 -0.514 0.000 2.127 80 R HA -0.353 nan 4.340 nan 0.000 0.238 80 R C 2.213 178.270 176.300 -0.407 0.000 1.134 80 R CA 2.788 58.444 56.100 -0.739 0.000 0.975 80 R CB -0.316 29.500 30.300 -0.807 0.000 0.865 80 R HN 0.063 8.035 8.270 -0.444 0.031 0.447 81 Q N -3.182 116.456 119.800 -0.269 0.000 2.576 81 Q HA -0.240 nan 4.340 nan 0.000 0.218 81 Q C 0.403 176.311 176.000 -0.153 0.000 0.983 81 Q CA 2.350 58.045 55.803 -0.181 0.000 0.920 81 Q CB 0.029 28.689 28.738 -0.130 0.000 0.973 81 Q HN -0.068 7.904 8.270 -0.258 0.142 0.528 82 I N -3.953 116.514 120.570 -0.172 0.000 2.798 82 I HA 0.111 nan 4.170 nan 0.000 0.323 82 I C -2.211 173.816 176.117 -0.150 0.000 1.468 82 I CA -0.744 60.473 61.300 -0.138 0.000 0.800 82 I CB 0.542 38.484 38.000 -0.098 0.000 2.090 82 I HN -0.794 7.203 8.210 -0.215 0.084 0.584 83 V N -2.527 117.271 119.914 -0.193 0.000 3.040 83 V HA 0.436 nan 4.120 nan 0.000 0.312 83 V C -1.856 174.143 176.094 -0.159 0.000 1.115 83 V CA -3.299 58.899 62.300 -0.170 0.000 0.998 83 V CB 3.106 34.835 31.823 -0.157 0.000 1.042 83 V HN -0.755 7.291 8.190 -0.240 0.000 0.433 84 N N 0.881 119.471 118.700 -0.183 0.000 2.406 84 N HA -0.152 nan 4.740 nan 0.000 0.274 84 N C 1.209 176.635 175.510 -0.141 0.000 1.249 84 N CA 0.398 53.319 53.050 -0.214 0.000 0.951 84 N CB -0.044 38.207 38.487 -0.392 0.000 1.241 84 N HN 0.247 8.503 8.380 -0.206 0.000 0.485 85 E N 6.431 126.612 120.200 -0.032 0.000 2.147 85 E HA -0.372 nan 4.350 nan 0.000 0.199 85 E C 1.712 178.433 176.600 0.201 0.000 1.005 85 E CA 2.861 59.325 56.400 0.106 0.000 0.810 85 E CB -1.372 28.396 29.700 0.114 0.000 0.736 85 E HN 0.411 8.744 8.360 -0.045 0.000 0.460 86 G N -0.870 107.994 108.800 0.106 0.000 2.469 86 G HA2 -0.283 nan 3.960 nan 0.000 0.219 86 G HA3 -0.283 nan 3.960 nan 0.000 0.219 86 G C 1.492 176.558 174.900 0.277 0.000 1.150 86 G CA 1.787 46.998 45.100 0.183 0.000 0.763 86 G HN 0.370 8.665 8.290 0.031 0.013 0.561 87 M N 1.931 121.522 119.600 -0.015 0.000 2.156 87 M HA -0.288 nan 4.480 nan 0.000 0.264 87 M C 0.998 177.410 176.300 0.186 0.000 1.067 87 M CA 3.197 58.488 55.300 -0.016 0.000 1.131 87 M CB 0.118 32.477 32.600 -0.402 0.000 1.368 87 M HN -0.305 7.735 8.290 -0.215 0.121 0.416 88 F N -0.099 119.871 119.950 0.034 0.000 2.069 88 F HA -0.429 nan 4.527 nan 0.000 0.298 88 F C 1.455 177.389 175.800 0.225 0.000 1.113 88 F CA 4.371 62.418 58.000 0.079 0.000 1.214 88 F CB -0.091 38.914 39.000 0.010 0.000 0.978 88 F HN -0.476 7.892 8.300 0.225 0.067 0.474 89 V N -0.503 119.644 119.914 0.389 0.000 2.392 89 V HA -0.485 nan 4.120 nan 0.000 0.249 89 V C 1.026 177.418 176.094 0.497 0.000 1.059 89 V CA 4.190 66.781 62.300 0.485 0.000 1.051 89 V CB -0.907 31.324 31.823 0.680 0.000 0.658 89 V HN 0.476 8.945 8.190 0.464 0.000 0.455 90 Y N 0.575 121.118 120.300 0.404 0.000 2.224 90 Y HA -0.476 nan 4.550 nan 0.000 0.289 90 Y C 1.260 177.320 175.900 0.266 0.000 1.146 90 Y CA 4.090 62.401 58.100 0.352 0.000 1.182 90 Y CB -0.355 38.272 38.460 0.279 0.000 0.983 90 Y HN -0.487 8.098 8.280 0.630 0.073 0.524 91 A N -1.188 121.804 122.820 0.285 0.000 1.874 91 A HA -0.289 nan 4.320 nan 0.000 0.214 91 A C 1.797 179.371 177.584 -0.017 0.000 1.189 91 A CA 3.068 55.200 52.037 0.159 0.000 0.615 91 A CB -0.497 18.476 19.000 -0.044 0.000 0.830 91 A HN 0.167 8.378 8.150 0.267 0.100 0.443 92 V N -4.264 115.571 119.914 -0.133 0.000 2.515 92 V HA -0.346 nan 4.120 nan 0.000 0.250 92 V C 1.929 178.063 176.094 0.068 0.000 1.058 92 V CA 3.818 66.081 62.300 -0.061 0.000 1.064 92 V CB -1.261 30.511 31.823 -0.085 0.000 0.675 92 V HN 0.431 8.487 8.190 -0.224 0.000 0.461 93 S N 0.060 115.825 115.700 0.109 0.000 2.414 93 S HA -0.148 nan 4.470 nan 0.000 0.227 93 S C 2.079 176.679 174.600 -0.000 0.000 1.022 93 S CA 3.103 61.353 58.200 0.084 0.000 0.958 93 S CB -0.184 63.138 63.200 0.202 0.000 0.797 93 S HN 0.068 8.367 8.310 0.160 0.107 0.493 94 V N 2.086 121.999 119.914 -0.003 0.000 2.515 94 V HA -0.364 nan 4.120 nan 0.000 0.250 94 V C 1.521 177.744 176.094 0.214 0.000 1.058 94 V CA 3.594 65.963 62.300 0.116 0.000 1.064 94 V CB -1.023 30.876 31.823 0.128 0.000 0.675 94 V HN -0.268 7.917 8.190 -0.008 0.000 0.461 95 A N 0.015 122.812 122.820 -0.037 0.000 1.855 95 A HA -0.198 nan 4.320 nan 0.000 0.215 95 A C 1.288 178.868 177.584 -0.006 0.000 1.191 95 A CA 3.832 55.777 52.037 -0.153 0.000 0.613 95 A CB -0.214 18.668 19.000 -0.198 0.000 0.829 95 A HN 0.201 8.316 8.150 -0.058 0.000 0.442 96 V N -2.558 117.375 119.914 0.032 0.000 3.620 96 V HA -0.099 nan 4.120 nan 0.000 0.286 96 V C 0.777 176.834 176.094 -0.061 0.000 1.288 96 V CA 1.549 63.886 62.300 0.062 0.000 1.178 96 V CB -1.140 30.801 31.823 0.197 0.000 0.986 96 V HN -0.068 8.039 8.190 0.042 0.108 0.431 97 L N -1.289 119.826 121.223 -0.181 0.000 2.253 97 L HA -0.047 nan 4.340 nan 0.000 0.205 97 L C 0.521 177.157 176.870 -0.391 0.000 1.078 97 L CA 2.397 56.982 54.840 -0.424 0.000 0.805 97 L CB 1.371 42.931 42.059 -0.833 0.000 0.963 97 L HN -0.598 7.510 8.230 -0.149 0.032 0.459 98 H N -5.790 113.326 119.070 0.076 0.000 3.233 98 H HA 0.135 nan 4.556 nan 0.000 0.263 98 H C -0.631 174.830 175.328 0.222 0.000 1.168 98 H CA -0.591 55.542 56.048 0.141 0.000 1.159 98 H CB 1.573 31.477 29.762 0.238 0.000 1.593 98 H HN -0.078 8.093 8.280 0.040 0.133 0.580 99 R N 0.503 121.154 120.500 0.252 0.000 2.295 99 R HA 0.304 nan 4.340 nan 0.000 0.324 99 R C 0.558 176.916 176.300 0.098 0.000 0.968 99 R CA -1.814 54.401 56.100 0.191 0.000 0.837 99 R CB 0.105 30.503 30.300 0.162 0.000 1.133 99 R HN -0.562 7.804 8.270 0.161 0.000 0.450 100 E N 3.282 123.542 120.200 0.099 0.000 2.533 100 E HA -0.216 nan 4.350 nan 0.000 0.201 100 E C -0.042 176.584 176.600 0.043 0.000 1.097 100 E CA 1.226 57.666 56.400 0.066 0.000 0.887 100 E CB -0.705 29.032 29.700 0.062 0.000 0.855 100 E HN 0.580 9.005 8.360 0.107 0.000 0.540 101 D N -2.846 117.601 120.400 0.078 0.000 2.336 101 D HA 0.028 nan 4.640 nan 0.000 0.228 101 D C 0.156 176.414 176.300 -0.070 0.000 1.120 101 D CA 0.244 54.291 54.000 0.078 0.000 0.839 101 D CB -0.481 40.463 40.800 0.240 0.000 0.932 101 D HN -0.305 8.049 8.370 0.108 0.080 0.509 102 C N -2.673 116.557 119.300 -0.117 0.000 3.657 102 C HA 0.097 nan 4.460 nan 0.000 0.291 102 C C -0.775 174.054 174.990 -0.270 0.000 1.572 102 C CA -1.242 57.612 59.018 -0.274 0.000 1.818 102 C CB 1.055 28.771 27.740 -0.040 0.000 2.903 102 C HN -0.240 7.887 8.230 -0.055 0.069 0.632 103 K N 1.244 121.519 120.400 -0.209 0.000 2.319 103 K HA -0.223 nan 4.320 nan 0.000 0.265 103 K C 1.001 177.459 176.600 -0.237 0.000 1.000 103 K CA 1.470 57.642 56.287 -0.193 0.000 0.943 103 K CB 0.066 32.480 32.500 -0.143 0.000 0.950 103 K HN -0.476 7.665 8.250 -0.183 0.000 0.485 104 G N 3.295 111.941 108.800 -0.256 0.000 2.155 104 G HA2 -0.450 nan 3.960 nan 0.000 0.257 104 G HA3 -0.450 nan 3.960 nan 0.000 0.257 104 G C -0.773 173.933 174.900 -0.324 0.000 0.983 104 G CA 0.383 45.293 45.100 -0.317 0.000 0.676 104 G HN 0.345 8.487 8.290 -0.237 0.006 0.528 105 I N 0.296 120.691 120.570 -0.291 0.000 2.532 105 I HA 0.110 nan 4.170 nan 0.000 0.292 105 I C -0.910 175.059 176.117 -0.247 0.000 1.014 105 I CA -1.288 59.859 61.300 -0.254 0.000 1.340 105 I CB 1.377 39.257 38.000 -0.201 0.000 1.422 105 I HN -0.707 7.278 8.210 -0.267 0.064 0.528 106 T N 7.753 122.169 114.554 -0.230 0.000 2.856 106 T HA 0.137 nan 4.350 nan 0.000 0.283 106 T C -0.820 173.765 174.700 -0.192 0.000 1.008 106 T CA -1.433 60.544 62.100 -0.204 0.000 0.997 106 T CB 2.098 70.855 68.868 -0.185 0.000 0.992 106 T HN -0.358 7.972 8.240 -0.220 -0.223 0.454 107 V N 4.768 124.589 119.914 -0.156 0.000 2.508 107 V HA 0.073 nan 4.120 nan 0.000 0.281 107 V C -1.168 174.807 176.094 -0.198 0.000 1.041 107 V CA -2.759 59.444 62.300 -0.162 0.000 1.016 107 V CB -0.676 31.096 31.823 -0.085 0.000 0.984 107 V HN 0.453 8.565 8.190 -0.130 0.000 0.478 108 P HA 0.084 nan 4.420 nan 0.000 0.260 108 P C -2.657 174.656 177.300 0.022 0.000 1.185 108 P CA -0.906 62.036 63.100 -0.263 0.000 0.763 108 P CB 0.143 31.538 31.700 -0.509 0.000 0.776 109 P HA -0.018 nan 4.420 nan 0.000 0.261 109 P C 0.928 178.303 177.300 0.125 0.000 1.203 109 P CA 0.015 63.193 63.100 0.130 0.000 0.767 109 P CB 0.257 32.014 31.700 0.096 0.000 0.785 110 I N 0.323 120.972 120.570 0.132 0.000 2.423 110 I HA -0.525 nan 4.170 nan 0.000 0.254 110 I C 0.938 177.062 176.117 0.011 0.000 1.151 110 I CA 3.539 64.892 61.300 0.088 0.000 1.421 110 I CB -0.382 37.562 38.000 -0.093 0.000 1.079 110 I HN 0.428 8.769 8.210 0.219 0.000 0.431 111 Q N -1.552 118.080 119.800 -0.279 0.000 2.172 111 Q HA -0.280 nan 4.340 nan 0.000 0.200 111 Q C 1.227 177.034 176.000 -0.323 0.000 0.964 111 Q CA 3.107 58.430 55.803 -0.800 0.000 0.855 111 Q CB -0.692 27.487 28.738 -0.932 0.000 0.918 111 Q HN 0.222 8.328 8.270 -0.174 0.059 0.444 112 E N -2.659 117.453 120.200 -0.146 0.000 2.216 112 E HA -0.038 nan 4.350 nan 0.000 0.192 112 E C 1.459 178.035 176.600 -0.041 0.000 0.973 112 E CA 1.514 57.868 56.400 -0.077 0.000 0.851 112 E CB 1.338 30.981 29.700 -0.095 0.000 0.804 112 E HN -0.428 7.738 8.360 -0.111 0.128 0.477 113 V N -5.796 114.115 119.914 -0.004 0.000 2.788 113 V HA -0.096 nan 4.120 nan 0.000 0.251 113 V C -0.134 175.734 176.094 -0.376 0.000 1.068 113 V CA 1.941 64.163 62.300 -0.130 0.000 1.090 113 V CB 0.276 32.108 31.823 0.016 0.000 0.710 113 V HN -0.104 8.016 8.190 0.061 0.107 0.467 114 F N -1.607 118.406 119.950 0.104 0.000 2.660 114 F HA 0.586 nan 4.527 nan 0.000 0.352 114 F C -1.506 174.411 175.800 0.194 0.000 1.257 114 F CA -3.586 54.495 58.000 0.136 0.000 1.200 114 F CB 1.197 40.275 39.000 0.130 0.000 1.473 114 F HN -0.414 7.873 8.300 0.169 0.114 0.561 115 P HA -0.142 nan 4.420 nan 0.000 0.226 115 P C 0.631 178.132 177.300 0.335 0.000 1.153 115 P CA 1.968 65.213 63.100 0.243 0.000 0.777 115 P CB 0.033 31.808 31.700 0.124 0.000 0.794 116 D N -1.503 119.086 120.400 0.314 0.000 2.123 116 D HA -0.351 nan 4.640 nan 0.000 0.196 116 D C 0.319 176.753 176.300 0.223 0.000 0.992 116 D CA 2.672 56.828 54.000 0.259 0.000 0.833 116 D CB -1.802 39.161 40.800 0.273 0.000 0.954 116 D HN 0.431 8.946 8.370 0.350 0.065 0.455 117 R N -3.424 117.204 120.500 0.213 0.000 2.339 117 R HA -0.141 nan 4.340 nan 0.000 0.199 117 R C 0.589 176.716 176.300 -0.288 0.000 1.018 117 R CA 1.243 57.305 56.100 -0.063 0.000 1.036 117 R CB -0.551 29.658 30.300 -0.151 0.000 0.899 117 R HN -0.314 8.142 8.270 0.310 0.000 0.473 118 F N -2.812 117.135 119.950 -0.005 0.000 2.592 118 F HA 0.087 nan 4.527 nan 0.000 0.280 118 F C -0.527 175.258 175.800 -0.025 0.000 1.083 118 F CA 2.447 60.422 58.000 -0.041 0.000 1.365 118 F CB 2.267 41.232 39.000 -0.058 0.000 1.100 118 F HN -0.355 7.951 8.300 0.338 0.197 0.633 119 V N -6.159 113.873 119.914 0.196 0.000 3.096 119 V HA 0.528 nan 4.120 nan 0.000 0.319 119 V C -2.523 173.646 176.094 0.125 0.000 1.103 119 V CA -4.044 58.342 62.300 0.142 0.000 1.016 119 V CB -0.199 31.709 31.823 0.142 0.000 1.090 119 V HN -0.564 7.762 8.190 0.226 0.000 0.449 120 P HA -0.035 nan 4.420 nan 0.000 0.267 120 P C -0.551 176.817 177.300 0.112 0.000 1.209 120 P CA 0.004 63.171 63.100 0.112 0.000 0.763 120 P CB -0.090 31.657 31.700 0.078 0.000 0.816 121 A N 6.814 129.707 122.820 0.121 0.000 1.954 121 A HA -0.476 nan 4.320 nan 0.000 0.222 121 A C 1.865 179.502 177.584 0.090 0.000 1.199 121 A CA 3.565 55.667 52.037 0.108 0.000 0.657 121 A CB -0.543 18.521 19.000 0.107 0.000 0.823 121 A HN 0.859 8.984 8.150 0.137 0.108 0.463 122 E N -3.150 117.100 120.200 0.083 0.000 2.038 122 E HA -0.360 nan 4.350 nan 0.000 0.195 122 E C 2.148 178.789 176.600 0.069 0.000 1.000 122 E CA 3.298 59.739 56.400 0.067 0.000 0.803 122 E CB -0.327 29.406 29.700 0.054 0.000 0.750 122 E HN 0.244 8.649 8.360 0.091 0.009 0.448 123 T N 0.753 115.354 114.554 0.078 0.000 3.085 123 T HA -0.045 nan 4.350 nan 0.000 0.263 123 T C 2.448 177.200 174.700 0.086 0.000 1.127 123 T CA 2.542 64.691 62.100 0.081 0.000 1.103 123 T CB -0.771 68.152 68.868 0.092 0.000 0.921 123 T HN -0.427 7.773 8.240 0.082 0.090 0.510 124 I N 2.726 123.350 120.570 0.091 0.000 2.193 124 I HA -0.495 nan 4.170 nan 0.000 0.240 124 I C 0.925 177.089 176.117 0.078 0.000 1.084 124 I CA 4.072 65.427 61.300 0.092 0.000 1.365 124 I CB -0.254 37.808 38.000 0.102 0.000 1.064 124 I HN -0.283 7.951 8.210 0.093 0.032 0.410 125 N N -0.534 118.209 118.700 0.071 0.000 2.223 125 N HA -0.316 nan 4.740 nan 0.000 0.185 125 N C 2.564 178.108 175.510 0.056 0.000 1.016 125 N CA 3.660 56.745 53.050 0.059 0.000 0.863 125 N CB 0.188 38.708 38.487 0.054 0.000 0.983 125 N HN -0.250 8.175 8.380 0.075 0.000 0.429 126 R N -0.974 119.562 120.500 0.060 0.000 2.062 126 R HA -0.233 nan 4.340 nan 0.000 0.229 126 R C 1.684 178.022 176.300 0.064 0.000 1.128 126 R CA 3.239 59.374 56.100 0.058 0.000 0.960 126 R CB -0.149 30.186 30.300 0.058 0.000 0.855 126 R HN 0.332 8.526 8.270 0.064 0.114 0.432 127 A N -0.829 122.032 122.820 0.068 0.000 1.865 127 A HA -0.328 nan 4.320 nan 0.000 0.217 127 A C 2.184 179.813 177.584 0.074 0.000 1.191 127 A CA 3.116 55.195 52.037 0.071 0.000 0.623 127 A CB -0.920 18.125 19.000 0.075 0.000 0.826 127 A HN -0.581 7.611 8.150 0.070 0.000 0.444 128 N N -1.885 116.858 118.700 0.070 0.000 2.021 128 N HA -0.388 nan 4.740 nan 0.000 0.198 128 N C 2.228 177.770 175.510 0.054 0.000 1.041 128 N CA 3.065 56.152 53.050 0.061 0.000 0.862 128 N CB -0.553 37.965 38.487 0.052 0.000 1.048 128 N HN -0.199 8.223 8.380 0.072 0.000 0.427 129 K N 0.046 120.476 120.400 0.050 0.000 2.209 129 K HA -0.295 nan 4.320 nan 0.000 0.204 129 K C 2.655 179.287 176.600 0.053 0.000 1.048 129 K CA 2.935 59.246 56.287 0.041 0.000 0.940 129 K CB 0.005 32.527 32.500 0.036 0.000 0.729 129 K HN 0.056 8.158 8.250 0.052 0.179 0.451 130 E N -0.637 119.610 120.200 0.079 0.000 2.152 130 E HA -0.281 nan 4.350 nan 0.000 0.192 130 E C 1.989 178.672 176.600 0.137 0.000 0.983 130 E CA 2.729 59.204 56.400 0.126 0.000 0.818 130 E CB -0.159 29.618 29.700 0.129 0.000 0.758 130 E HN 0.001 8.263 8.360 0.075 0.143 0.467 131 A N -0.919 121.961 122.820 0.100 0.000 1.933 131 A HA -0.195 nan 4.320 nan 0.000 0.218 131 A C 1.531 179.155 177.584 0.066 0.000 1.175 131 A CA 3.026 55.118 52.037 0.093 0.000 0.628 131 A CB -0.534 18.521 19.000 0.091 0.000 0.814 131 A HN -0.262 7.941 8.150 0.089 0.000 0.444 132 S N -2.620 113.105 115.700 0.042 0.000 2.453 132 S HA -0.152 nan 4.470 nan 0.000 0.231 132 S C 1.348 175.939 174.600 -0.016 0.000 1.005 132 S CA 2.092 60.300 58.200 0.013 0.000 0.949 132 S CB 0.298 63.501 63.200 0.005 0.000 0.774 132 S HN -0.369 7.968 8.310 0.045 0.000 0.510 133 N N -0.185 118.502 118.700 -0.022 0.000 2.333 133 N HA -0.085 nan 4.740 nan 0.000 0.178 133 N C 0.104 175.399 175.510 -0.358 0.000 1.018 133 N CA 1.413 54.364 53.050 -0.165 0.000 0.882 133 N CB 0.998 39.389 38.487 -0.159 0.000 0.984 133 N HN -0.389 7.850 8.380 0.030 0.160 0.434 134 H N -1.350 117.729 119.070 0.016 0.000 2.854 134 H HA 0.368 nan 4.556 nan 0.000 0.275 134 H C -2.333 173.005 175.328 0.017 0.000 1.198 134 H CA -2.666 53.391 56.048 0.014 0.000 1.489 134 H CB 0.452 30.223 29.762 0.013 0.000 1.519 134 H HN -0.148 8.211 8.280 0.131 0.000 0.503 135 P HA -0.058 nan 4.420 nan 0.000 0.259 135 P C -1.518 175.823 177.300 0.068 0.000 1.635 135 P CA 0.463 63.602 63.100 0.065 0.000 1.199 135 P CB -0.522 31.199 31.700 0.035 0.000 1.850 136 D N 1.821 122.267 120.400 0.077 0.000 2.579 136 D HA 0.132 nan 4.640 nan 0.000 0.257 136 D C -0.688 175.639 176.300 0.044 0.000 1.176 136 D CA -1.195 52.838 54.000 0.056 0.000 0.914 136 D CB 2.622 43.455 40.800 0.055 0.000 1.431 136 D HN -0.521 7.882 8.370 0.090 0.021 0.454 137 Q N -1.127 118.687 119.800 0.025 0.000 2.451 137 Q HA -0.091 nan 4.340 nan 0.000 0.206 137 Q C 0.047 176.038 176.000 -0.015 0.000 0.947 137 Q CA 0.307 56.115 55.803 0.007 0.000 0.937 137 Q CB 0.415 29.154 28.738 0.001 0.000 1.025 137 Q HN 0.322 8.605 8.270 0.022 0.000 0.511 138 Q N 0.582 120.374 119.800 -0.013 0.000 2.286 138 Q HA -0.170 nan 4.340 nan 0.000 0.290 138 Q C -0.708 175.273 176.000 -0.032 0.000 1.049 138 Q CA 0.873 56.658 55.803 -0.030 0.000 0.923 138 Q CB 0.402 29.113 28.738 -0.045 0.000 1.183 138 Q HN -0.653 7.835 8.270 -0.003 -0.220 0.383 139 S N 3.723 119.397 115.700 -0.043 0.000 2.576 139 S HA 0.175 nan 4.470 nan 0.000 0.272 139 S C -0.877 173.706 174.600 -0.028 0.000 1.352 139 S CA 1.038 59.213 58.200 -0.042 0.000 1.021 139 S CB 0.520 63.693 63.200 -0.045 0.000 0.887 139 S HN 0.206 8.488 8.310 -0.046 0.000 0.542 140 I N 0.535 121.098 120.570 -0.012 0.000 2.545 140 I HA 0.272 nan 4.170 nan 0.000 0.292 140 I C -2.249 173.871 176.117 0.004 0.000 1.040 140 I CA -0.613 60.687 61.300 0.000 0.000 1.068 140 I CB 3.436 41.453 38.000 0.027 0.000 1.251 140 I HN 0.540 8.744 8.210 -0.010 0.000 0.424 141 V N 6.432 126.348 119.914 0.002 0.000 2.577 141 V HA 0.603 nan 4.120 nan 0.000 0.303 141 V C -1.828 174.275 176.094 0.016 0.000 1.042 141 V CA -1.684 60.618 62.300 0.004 0.000 0.872 141 V CB 2.089 33.903 31.823 -0.014 0.000 0.998 141 V HN 0.153 8.342 8.190 -0.001 0.000 0.423 142 V N 7.843 127.775 119.914 0.029 0.000 2.604 142 V HA 0.409 nan 4.120 nan 0.000 0.305 142 V C -1.740 174.383 176.094 0.047 0.000 1.043 142 V CA -1.630 60.695 62.300 0.043 0.000 0.888 142 V CB 3.386 35.244 31.823 0.057 0.000 0.995 142 V HN 0.774 8.983 8.190 0.032 0.000 0.429 143 E N 5.701 125.935 120.200 0.056 0.000 2.105 143 E HA 0.152 nan 4.350 nan 0.000 0.285 143 E C 0.348 177.015 176.600 0.112 0.000 1.055 143 E CA -0.892 55.556 56.400 0.080 0.000 0.843 143 E CB 0.635 30.396 29.700 0.102 0.000 1.067 143 E HN 0.456 8.848 8.360 0.054 0.000 0.398 144 A N 8.187 131.086 122.820 0.132 0.000 2.019 144 A HA -0.241 nan 4.320 nan 0.000 0.219 144 A C 0.865 178.550 177.584 0.167 0.000 1.164 144 A CA 2.608 54.738 52.037 0.154 0.000 0.644 144 A CB -0.496 18.624 19.000 0.200 0.000 0.805 144 A HN 0.850 8.960 8.150 0.110 0.106 0.449 145 E N -2.020 118.313 120.200 0.222 0.000 2.164 145 E HA -0.353 nan 4.350 nan 0.000 0.206 145 E C -0.062 176.613 176.600 0.126 0.000 1.032 145 E CA 1.879 58.402 56.400 0.205 0.000 0.832 145 E CB 0.070 29.875 29.700 0.175 0.000 0.742 145 E HN 0.153 8.625 8.360 0.262 0.045 0.460 146 E N -4.867 115.381 120.200 0.081 0.000 8.880 146 E HA -0.257 nan 4.350 nan 0.000 0.183 146 E C -1.258 175.351 176.600 0.016 0.000 1.450 146 E CA 0.661 57.079 56.400 0.030 0.000 2.521 146 E CB 0.232 29.923 29.700 -0.016 0.000 1.229 146 E HN -0.375 8.005 8.360 0.091 0.035 0.443 147 T N 0.170 114.714 114.554 -0.016 0.000 3.172 147 T HA 0.608 nan 4.350 nan 0.000 0.320 147 T C -1.104 173.567 174.700 -0.049 0.000 1.085 147 T CA 0.161 62.249 62.100 -0.021 0.000 1.052 147 T CB 1.864 70.729 68.868 -0.004 0.000 1.107 147 T HN 0.471 8.694 8.240 -0.029 0.000 0.458 148 G N 2.240 110.998 108.800 -0.070 0.000 2.506 148 G HA2 0.021 nan 3.960 nan 0.000 0.292 148 G HA3 0.021 nan 3.960 nan 0.000 0.292 148 G C -2.018 172.827 174.900 -0.091 0.000 1.425 148 G CA 0.022 45.068 45.100 -0.091 0.000 0.788 148 G HN -0.209 8.044 8.290 -0.061 0.000 0.490 149 N N 0.724 119.377 118.700 -0.079 0.000 2.439 149 N HA 0.150 nan 4.740 nan 0.000 0.243 149 N C 0.127 175.598 175.510 -0.065 0.000 1.088 149 N CA -0.929 52.090 53.050 -0.052 0.000 0.940 149 N CB 0.047 38.517 38.487 -0.029 0.000 1.180 149 N HN 0.047 8.381 8.380 -0.077 0.000 0.505 150 I N 6.680 127.223 120.570 -0.046 0.000 2.624 150 I HA -0.181 nan 4.170 nan 0.000 0.307 150 I C 0.160 176.292 176.117 0.025 0.000 1.191 150 I CA 0.685 61.981 61.300 -0.006 0.000 1.708 150 I CB -1.522 36.525 38.000 0.077 0.000 1.521 150 I HN 0.353 8.542 8.210 -0.034 0.000 0.805 151 L N 6.285 127.518 121.223 0.016 0.000 2.162 151 L HA -0.089 nan 4.340 nan 0.000 0.205 151 L C 0.757 177.662 176.870 0.058 0.000 1.086 151 L CA 1.037 55.897 54.840 0.033 0.000 0.778 151 L CB -0.205 41.871 42.059 0.027 0.000 0.928 151 L HN 0.124 8.295 8.230 -0.008 0.055 0.446 152 D N -0.807 119.640 120.400 0.078 0.000 2.308 152 D HA 0.239 nan 4.640 nan 0.000 0.251 152 D C -0.709 175.676 176.300 0.141 0.000 1.127 152 D CA -2.170 51.898 54.000 0.114 0.000 0.876 152 D CB 1.412 42.297 40.800 0.143 0.000 1.176 152 D HN -0.449 7.924 8.370 0.061 0.033 0.446 153 P HA -0.133 nan 4.420 nan 0.000 0.216 153 P C 0.878 178.247 177.300 0.114 0.000 1.153 153 P CA 1.691 64.850 63.100 0.099 0.000 0.844 153 P CB 0.497 32.236 31.700 0.066 0.000 0.787 154 E N -2.042 118.239 120.200 0.135 0.000 2.204 154 E HA -0.248 nan 4.350 nan 0.000 0.194 154 E C 2.004 178.691 176.600 0.146 0.000 0.989 154 E CA 1.976 58.451 56.400 0.125 0.000 0.824 154 E CB -0.465 29.324 29.700 0.147 0.000 0.756 154 E HN -0.486 8.322 8.360 0.146 -0.361 0.477 155 Y N 0.715 121.078 120.300 0.104 0.000 2.283 155 Y HA -0.413 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 2.730 60.895 58.100 0.109 0.000 1.229 155 Y CB -0.135 38.386 38.460 0.103 0.000 0.975 155 Y HN -0.223 8.530 8.280 0.332 -0.274 0.537 156 K N -1.133 119.209 120.400 -0.098 0.000 2.015 156 K HA -0.418 nan 4.320 nan 0.000 0.216 156 K C 1.997 178.498 176.600 -0.165 0.000 1.052 156 K CA 2.960 59.183 56.287 -0.107 0.000 0.937 156 K CB -0.571 31.941 32.500 0.019 0.000 0.719 156 K HN -0.501 7.769 8.250 0.070 0.022 0.446 157 L N -3.197 117.882 121.223 -0.240 0.000 2.633 157 L HA -0.115 nan 4.340 nan 0.000 0.235 157 L C 1.059 177.623 176.870 -0.509 0.000 1.163 157 L CA 1.192 55.694 54.840 -0.564 0.000 0.859 157 L CB -0.956 40.940 42.059 -0.273 0.000 0.973 157 L HN -0.141 7.918 8.230 -0.120 0.098 0.451 158 S N 0.221 115.744 115.700 -0.294 0.000 2.603 158 S HA -0.204 nan 4.470 nan 0.000 0.229 158 S C 1.314 175.868 174.600 -0.076 0.000 0.972 158 S CA 2.502 60.618 58.200 -0.139 0.000 0.935 158 S CB -0.302 62.839 63.200 -0.099 0.000 0.769 158 S HN -0.570 7.375 8.310 -0.275 0.200 0.536 159 Y N -0.827 119.491 120.300 0.030 0.000 2.181 159 Y HA -0.280 nan 4.550 nan 0.000 0.288 159 Y C 0.275 176.301 175.900 0.210 0.000 1.146 159 Y CA 1.772 59.941 58.100 0.114 0.000 1.164 159 Y CB -0.934 37.570 38.460 0.074 0.000 0.982 159 Y HN -0.476 7.630 8.280 -0.244 0.028 0.515 160 F N 0.260 120.105 119.950 -0.176 0.000 2.222 160 F HA 0.056 nan 4.527 nan 0.000 0.285 160 F C 1.777 177.565 175.800 -0.020 0.000 1.068 160 F CA 1.130 59.129 58.000 -0.003 0.000 1.265 160 F CB 1.711 40.667 39.000 -0.074 0.000 1.087 160 F HN -0.626 7.290 8.300 -0.391 0.149 0.511 161 R N -0.997 119.470 120.500 -0.055 0.000 2.091 161 R HA -0.323 nan 4.340 nan 0.000 0.238 161 R C 0.585 176.746 176.300 -0.231 0.000 1.136 161 R CA 3.071 59.079 56.100 -0.153 0.000 0.959 161 R CB 0.048 30.350 30.300 0.004 0.000 0.856 161 R HN -0.526 7.787 8.270 0.071 0.000 0.437 162 E N -4.541 115.586 120.200 -0.122 0.000 2.444 162 E HA 0.027 nan 4.350 nan 0.000 0.191 162 E C -1.426 175.134 176.600 -0.066 0.000 1.041 162 E CA -0.717 55.633 56.400 -0.084 0.000 0.883 162 E CB -0.236 29.474 29.700 0.017 0.000 1.024 162 E HN -0.207 8.080 8.360 -0.069 0.031 0.470 163 D N 0.048 120.389 120.400 -0.098 0.000 2.339 163 D HA -0.038 nan 4.640 nan 0.000 0.245 163 D C 0.669 176.956 176.300 -0.023 0.000 1.115 163 D CA -0.233 53.740 54.000 -0.045 0.000 0.917 163 D CB 1.429 42.211 40.800 -0.031 0.000 1.192 163 D HN -0.902 7.263 8.370 -0.190 0.091 0.428 164 I N 3.725 124.277 120.570 -0.030 0.000 2.142 164 I HA -0.278 nan 4.170 nan 0.000 0.240 164 I C 1.071 177.228 176.117 0.067 0.000 1.078 164 I CA 3.672 64.982 61.300 0.016 0.000 1.343 164 I CB 0.248 38.098 38.000 -0.249 0.000 1.046 164 I HN 0.421 8.580 8.210 -0.086 0.000 0.405 165 G N -2.947 105.849 108.800 -0.006 0.000 2.403 165 G HA2 -0.217 nan 3.960 nan 0.000 0.216 165 G HA3 -0.217 nan 3.960 nan 0.000 0.216 165 G C 1.436 176.259 174.900 -0.127 0.000 1.154 165 G CA 1.694 46.775 45.100 -0.033 0.000 0.784 165 G HN -0.177 8.115 8.290 0.003 0.000 0.538 166 I N 2.915 123.309 120.570 -0.292 0.000 2.069 166 I HA -0.551 nan 4.170 nan 0.000 0.237 166 I C 1.659 177.676 176.117 -0.166 0.000 1.053 166 I CA 3.059 64.085 61.300 -0.458 0.000 1.311 166 I CB -0.802 36.854 38.000 -0.574 0.000 1.030 166 I HN -0.871 7.352 8.210 -0.281 -0.181 0.398 167 N N -1.148 117.513 118.700 -0.064 0.000 2.244 167 N HA -0.248 nan 4.740 nan 0.000 0.183 167 N C 2.319 177.937 175.510 0.179 0.000 1.016 167 N CA 3.020 56.058 53.050 -0.020 0.000 0.866 167 N CB -0.203 38.142 38.487 -0.236 0.000 0.980 167 N HN -0.072 8.280 8.380 -0.045 0.000 0.430 168 A N 0.419 123.406 122.820 0.280 0.000 1.877 168 A HA -0.279 nan 4.320 nan 0.000 0.216 168 A C 1.577 179.164 177.584 0.005 0.000 1.186 168 A CA 3.185 55.287 52.037 0.107 0.000 0.620 168 A CB -0.779 18.268 19.000 0.078 0.000 0.822 168 A HN 0.136 8.483 8.150 0.328 0.000 0.443 169 H N 0.097 119.235 119.070 0.114 0.000 2.357 169 H HA -0.460 nan 4.556 nan 0.000 0.296 169 H C 1.992 177.530 175.328 0.351 0.000 1.108 169 H CA 4.056 60.251 56.048 0.245 0.000 1.273 169 H CB -0.002 29.863 29.762 0.171 0.000 1.367 169 H HN -0.205 8.198 8.280 0.205 0.000 0.498 170 H N -1.135 118.053 119.070 0.198 0.000 2.290 170 H HA -0.361 nan 4.556 nan 0.000 0.298 170 H C 2.797 178.356 175.328 0.385 0.000 1.087 170 H CA 3.787 60.001 56.048 0.277 0.000 1.291 170 H CB 0.245 30.133 29.762 0.211 0.000 1.369 170 H HN -0.562 7.923 8.280 0.372 0.019 0.492 171 W N 0.666 122.089 121.300 0.204 0.000 2.332 171 W HA -0.427 nan 4.660 nan 0.000 0.321 171 W C 1.713 178.374 176.519 0.237 0.000 1.219 171 W CA 4.006 61.478 57.345 0.212 0.000 1.277 171 W CB -0.301 29.236 29.460 0.129 0.000 1.161 171 W HN -0.445 8.026 8.180 0.485 0.000 0.476 172 H N -2.403 116.954 119.070 0.479 0.000 2.394 172 H HA -0.435 nan 4.556 nan 0.000 0.297 172 H C 2.309 177.680 175.328 0.073 0.000 1.113 172 H CA 3.218 59.410 56.048 0.240 0.000 1.277 172 H CB -0.888 28.990 29.762 0.194 0.000 1.370 172 H HN -0.061 8.245 8.280 0.043 0.000 0.506 173 W N -0.262 121.030 121.300 -0.014 0.000 2.358 173 W HA -0.379 nan 4.660 nan 0.000 0.303 173 W C 1.860 178.416 176.519 0.060 0.000 1.208 173 W CA 4.834 62.162 57.345 -0.027 0.000 1.274 173 W CB 0.040 29.427 29.460 -0.121 0.000 1.138 173 W HN 0.642 8.943 8.180 0.202 0.000 0.515 174 H N -3.447 115.823 119.070 0.332 0.000 2.539 174 H HA -0.055 nan 4.556 nan 0.000 0.267 174 H C 1.196 176.464 175.328 -0.099 0.000 0.982 174 H CA 2.545 58.712 56.048 0.199 0.000 1.146 174 H CB 0.231 30.173 29.762 0.299 0.000 1.382 174 H HN -0.681 7.875 8.280 0.459 0.000 0.577 175 I N -1.152 119.374 120.570 -0.074 0.000 2.584 175 I HA -0.191 nan 4.170 nan 0.000 0.255 175 I C 1.429 177.445 176.117 -0.169 0.000 1.145 175 I CA 1.221 62.385 61.300 -0.227 0.000 1.462 175 I CB 0.717 38.637 38.000 -0.133 0.000 1.102 175 I HN -0.281 7.854 8.210 0.023 0.088 0.433 176 V N -5.362 114.400 119.914 -0.253 0.000 2.591 176 V HA -0.106 nan 4.120 nan 0.000 0.249 176 V C 0.464 176.082 176.094 -0.793 0.000 1.053 176 V CA 1.888 63.906 62.300 -0.469 0.000 1.068 176 V CB -0.253 31.198 31.823 -0.620 0.000 0.689 176 V HN -0.363 7.708 8.190 -0.198 0.000 0.462 177 Y N -1.548 118.524 120.300 -0.380 0.000 2.919 177 Y HA 0.553 nan 4.550 nan 0.000 0.341 177 Y C -2.596 173.260 175.900 -0.073 0.000 1.045 177 Y CA -3.592 54.289 58.100 -0.364 0.000 1.218 177 Y CB -0.668 37.435 38.460 -0.594 0.000 1.137 177 Y HN 0.009 7.880 8.280 -0.497 0.112 0.577 178 P HA 0.108 nan 4.420 nan 0.000 0.276 178 P C -0.072 177.304 177.300 0.127 0.000 1.230 178 P CA -0.293 62.857 63.100 0.084 0.000 0.776 178 P CB 0.730 32.392 31.700 -0.063 0.000 0.888 179 A N 3.769 126.659 122.820 0.117 0.000 1.940 179 A HA -0.328 nan 4.320 nan 0.000 0.219 179 A C 0.639 178.258 177.584 0.058 0.000 1.176 179 A CA 3.082 55.162 52.037 0.072 0.000 0.631 179 A CB -0.579 18.445 19.000 0.040 0.000 0.814 179 A HN 0.642 8.869 8.150 0.129 0.000 0.446 180 T N -6.035 108.536 114.554 0.028 0.000 3.252 180 T HA -0.105 nan 4.350 nan 0.000 0.250 180 T C 0.619 175.275 174.700 -0.075 0.000 1.123 180 T CA -1.335 60.761 62.100 -0.006 0.000 1.006 180 T CB -1.586 67.305 68.868 0.039 0.000 0.992 180 T HN -0.265 7.970 8.240 0.011 0.012 0.547 181 W N 4.280 125.470 121.300 -0.185 0.000 2.771 181 W HA -0.224 nan 4.660 nan 0.000 0.407 181 W C -1.723 174.710 176.519 -0.144 0.000 1.221 181 W CA -0.101 57.121 57.345 -0.205 0.000 1.539 181 W CB -0.966 28.373 29.460 -0.201 0.000 1.647 181 W HN -0.264 7.824 8.180 0.159 0.187 0.469 182 N N 7.882 126.315 118.700 -0.446 0.000 2.452 182 N HA -0.039 nan 4.740 nan 0.000 0.266 182 N C -1.115 174.017 175.510 -0.629 0.000 1.209 182 N CA -0.927 51.888 53.050 -0.392 0.000 0.929 182 N CB 0.977 39.275 38.487 -0.314 0.000 1.063 182 N HN -0.354 7.739 8.380 -0.409 0.042 0.472 183 P HA -0.118 nan 4.420 nan 0.000 0.216 183 P C 0.140 177.338 177.300 -0.171 0.000 1.153 183 P CA 1.949 64.972 63.100 -0.129 0.000 0.844 183 P CB 0.625 32.354 31.700 0.048 0.000 0.787 184 T N -4.579 109.887 114.554 -0.146 0.000 2.732 184 T HA -0.157 nan 4.350 nan 0.000 0.261 184 T C 2.858 177.474 174.700 -0.140 0.000 1.040 184 T CA 3.273 65.310 62.100 -0.105 0.000 1.145 184 T CB -0.551 68.275 68.868 -0.071 0.000 0.866 184 T HN -0.141 8.180 8.240 -0.149 -0.170 0.427 185 V N 2.072 121.875 119.914 -0.184 0.000 2.759 185 V HA -0.191 nan 4.120 nan 0.000 0.256 185 V C 1.212 177.144 176.094 -0.271 0.000 1.080 185 V CA 3.087 65.276 62.300 -0.184 0.000 1.101 185 V CB -0.649 31.076 31.823 -0.163 0.000 0.698 185 V HN 0.254 8.661 8.190 -0.188 -0.330 0.477 186 M N -2.675 116.663 119.600 -0.438 0.000 2.560 186 M HA 0.163 nan 4.480 nan 0.000 0.297 186 M C 0.445 176.596 176.300 -0.248 0.000 1.201 186 M CA -1.575 53.397 55.300 -0.547 0.000 0.973 186 M CB -0.660 31.164 32.600 -1.293 0.000 1.401 186 M HN -0.410 7.574 8.290 -0.471 0.024 0.497 187 G N 0.524 109.242 108.800 -0.136 0.000 2.458 187 G HA2 -0.410 nan 3.960 nan 0.000 0.237 187 G HA3 -0.410 nan 3.960 nan 0.000 0.237 187 G C -1.019 173.892 174.900 0.018 0.000 1.113 187 G CA 1.124 46.203 45.100 -0.036 0.000 0.655 187 G HN 0.128 8.128 8.290 -0.161 0.193 0.513 188 K N -0.519 119.929 120.400 0.079 0.000 2.522 188 K HA 0.357 nan 4.320 nan 0.000 0.275 188 K C -2.055 174.705 176.600 0.266 0.000 1.006 188 K CA -1.207 55.160 56.287 0.133 0.000 0.890 188 K CB 2.511 35.080 32.500 0.115 0.000 1.475 188 K HN -0.370 7.827 8.250 0.082 0.102 0.441 189 E N -0.208 120.099 120.200 0.177 0.000 2.285 189 E HA 0.221 nan 4.350 nan 0.000 0.254 189 E C -0.659 175.948 176.600 0.012 0.000 1.011 189 E CA -1.533 54.976 56.400 0.183 0.000 0.873 189 E CB 1.625 31.394 29.700 0.116 0.000 1.229 189 E HN 0.174 8.598 8.360 0.107 0.000 0.422 190 K N 0.184 120.567 120.400 -0.029 0.000 2.572 190 K HA 0.278 nan 4.320 nan 0.000 0.244 190 K C -1.191 175.421 176.600 0.020 0.000 0.965 190 K CA -1.440 54.784 56.287 -0.105 0.000 0.943 190 K CB 0.890 33.225 32.500 -0.274 0.000 1.154 190 K HN 0.314 8.598 8.250 0.056 0.000 0.447 191 D N 4.818 125.246 120.400 0.046 0.000 2.502 191 D HA -0.192 nan 4.640 nan 0.000 0.249 191 D C -0.002 176.318 176.300 0.033 0.000 1.188 191 D CA 1.557 55.592 54.000 0.058 0.000 0.890 191 D CB -0.139 40.703 40.800 0.070 0.000 1.140 191 D HN 0.301 8.686 8.370 0.025 0.000 0.505 192 R N 0.221 120.734 120.500 0.022 0.000 3.641 192 R HA -0.559 nan 4.340 nan 0.000 0.286 192 R C 0.698 176.970 176.300 -0.047 0.000 1.153 192 R CA 1.088 57.192 56.100 0.007 0.000 0.775 192 R CB -1.859 28.452 30.300 0.019 0.000 1.215 192 R HN 0.679 8.973 8.270 0.040 0.000 0.474 193 K N -1.287 119.052 120.400 -0.101 0.000 2.152 193 K HA -0.278 nan 4.320 nan 0.000 0.206 193 K C 1.719 178.339 176.600 0.033 0.000 1.048 193 K CA 2.810 58.963 56.287 -0.223 0.000 0.933 193 K CB -0.593 31.787 32.500 -0.200 0.000 0.721 193 K HN -0.513 7.758 8.250 -0.045 -0.048 0.447 194 G N -0.857 108.005 108.800 0.103 0.000 2.434 194 G HA2 -0.336 nan 3.960 nan 0.000 0.214 194 G HA3 -0.336 nan 3.960 nan 0.000 0.214 194 G C 0.338 175.409 174.900 0.285 0.000 1.202 194 G CA 1.860 47.102 45.100 0.235 0.000 0.788 194 G HN -0.570 7.952 8.290 0.069 -0.191 0.539 195 E N 1.361 121.663 120.200 0.169 0.000 2.058 195 E HA -0.299 nan 4.350 nan 0.000 0.194 195 E C 1.977 178.646 176.600 0.114 0.000 0.997 195 E CA 2.502 58.979 56.400 0.129 0.000 0.801 195 E CB -0.283 29.466 29.700 0.083 0.000 0.746 195 E HN -0.735 7.707 8.360 0.137 0.000 0.450 196 L N -0.972 120.317 121.223 0.110 0.000 2.131 196 L HA -0.315 nan 4.340 nan 0.000 0.210 196 L C 1.158 178.189 176.870 0.268 0.000 1.092 196 L CA 2.774 57.722 54.840 0.179 0.000 0.759 196 L CB -0.516 41.630 42.059 0.146 0.000 0.903 196 L HN 0.072 8.351 8.230 0.082 0.000 0.435 197 F N 0.717 120.751 119.950 0.139 0.000 2.234 197 F HA -0.363 nan 4.527 nan 0.000 0.299 197 F C 1.310 177.005 175.800 -0.175 0.000 1.087 197 F CA 3.248 61.217 58.000 -0.051 0.000 1.340 197 F CB -0.053 38.977 39.000 0.049 0.000 1.031 197 F HN -0.454 7.979 8.300 0.396 0.104 0.500 198 F N 1.544 121.081 119.950 -0.689 0.000 2.026 198 F HA -0.491 nan 4.527 nan 0.000 0.296 198 F C 0.604 176.117 175.800 -0.478 0.000 1.133 198 F CA 3.002 60.376 58.000 -1.043 0.000 1.188 198 F CB -0.717 37.440 39.000 -1.405 0.000 0.968 198 F HN 0.067 8.218 8.300 -0.139 0.066 0.476 199 Y N -0.046 119.722 120.300 -0.888 0.000 2.049 199 Y HA -0.557 nan 4.550 nan 0.000 0.277 199 Y C 1.725 177.227 175.900 -0.662 0.000 1.143 199 Y CA 3.548 61.072 58.100 -0.961 0.000 1.115 199 Y CB -0.078 38.061 38.460 -0.535 0.000 0.975 199 Y HN -0.106 8.024 8.280 -0.249 0.000 0.487 200 M N -2.063 117.200 119.600 -0.563 0.000 2.143 200 M HA -0.528 nan 4.480 nan 0.000 0.258 200 M C 1.836 177.630 176.300 -0.844 0.000 1.071 200 M CA 3.056 57.895 55.300 -0.769 0.000 1.088 200 M CB -0.431 31.696 32.600 -0.788 0.000 1.360 200 M HN 0.085 8.237 8.290 -0.231 0.000 0.404 201 H N -2.063 116.637 119.070 -0.617 0.000 2.403 201 H HA -0.141 nan 4.556 nan 0.000 0.298 201 H C 2.446 177.598 175.328 -0.293 0.000 1.059 201 H CA 3.963 59.801 56.048 -0.350 0.000 1.363 201 H CB -0.437 29.115 29.762 -0.350 0.000 1.410 201 H HN -0.460 7.436 8.280 -0.417 0.134 0.528 202 Q N -0.099 119.479 119.800 -0.370 0.000 2.020 202 Q HA -0.402 nan 4.340 nan 0.000 0.202 202 Q C 2.330 178.099 176.000 -0.384 0.000 0.982 202 Q CA 3.464 59.075 55.803 -0.320 0.000 0.838 202 Q CB -0.166 28.301 28.738 -0.452 0.000 0.899 202 Q HN -0.007 7.948 8.270 -0.525 0.000 0.423 203 Q N -1.138 118.224 119.800 -0.730 0.000 2.112 203 Q HA -0.343 nan 4.340 nan 0.000 0.206 203 Q C 2.701 178.294 176.000 -0.677 0.000 0.987 203 Q CA 2.786 58.089 55.803 -0.835 0.000 0.858 203 Q CB -0.432 27.408 28.738 -1.497 0.000 0.905 203 Q HN 0.223 7.902 8.270 -0.986 0.000 0.420 204 M N -0.269 118.969 119.600 -0.603 0.000 2.082 204 M HA -0.433 nan 4.480 nan 0.000 0.258 204 M C 2.073 178.526 176.300 0.254 0.000 1.071 204 M CA 4.521 59.758 55.300 -0.106 0.000 1.103 204 M CB -0.015 32.716 32.600 0.219 0.000 1.307 204 M HN 0.056 7.928 8.290 -0.697 0.000 0.409 205 C N -2.521 116.912 119.300 0.220 0.000 2.472 205 C HA -0.151 nan 4.460 nan 0.000 0.278 205 C C 2.087 177.203 174.990 0.209 0.000 1.447 205 C CA 2.425 61.648 59.018 0.343 0.000 1.773 205 C CB -2.437 25.506 27.740 0.338 0.000 1.793 205 C HN -0.178 8.108 8.230 0.093 0.000 0.544 206 A N 1.186 124.045 122.820 0.065 0.000 1.935 206 A HA -0.134 nan 4.320 nan 0.000 0.214 206 A C 1.485 179.076 177.584 0.012 0.000 1.178 206 A CA 3.030 55.085 52.037 0.030 0.000 0.640 206 A CB -0.620 18.375 19.000 -0.008 0.000 0.825 206 A HN 0.688 8.701 8.150 -0.019 0.126 0.447 207 R N -0.478 120.020 120.500 -0.003 0.000 2.083 207 R HA -0.410 nan 4.340 nan 0.000 0.237 207 R C 2.022 178.200 176.300 -0.202 0.000 1.137 207 R CA 3.567 59.653 56.100 -0.024 0.000 0.951 207 R CB -0.132 30.239 30.300 0.119 0.000 0.851 207 R HN -0.174 8.068 8.270 -0.047 0.000 0.434 208 Y N 0.472 120.593 120.300 -0.298 0.000 2.053 208 Y HA -0.480 nan 4.550 nan 0.000 0.277 208 Y C 1.344 177.073 175.900 -0.285 0.000 1.159 208 Y CA 3.476 61.314 58.100 -0.436 0.000 1.125 208 Y CB -0.150 38.135 38.460 -0.292 0.000 0.969 208 Y HN 0.152 8.566 8.280 0.223 0.000 0.492 209 D N -2.684 117.655 120.400 -0.102 0.000 2.228 209 D HA -0.397 nan 4.640 nan 0.000 0.203 209 D C 2.856 179.053 176.300 -0.172 0.000 0.988 209 D CA 3.317 57.222 54.000 -0.158 0.000 0.864 209 D CB -0.887 39.903 40.800 -0.017 0.000 0.928 209 D HN 0.001 8.307 8.370 0.106 0.127 0.469 210 S N -0.190 115.439 115.700 -0.117 0.000 2.345 210 S HA -0.233 nan 4.470 nan 0.000 0.220 210 S C 2.556 177.107 174.600 -0.081 0.000 1.031 210 S CA 3.527 61.710 58.200 -0.028 0.000 0.996 210 S CB -0.051 63.203 63.200 0.091 0.000 0.882 210 S HN -0.199 8.031 8.310 -0.100 0.020 0.445 211 E N 1.719 121.789 120.200 -0.216 0.000 2.187 211 E HA -0.388 nan 4.350 nan 0.000 0.199 211 E C 2.448 178.887 176.600 -0.269 0.000 1.004 211 E CA 3.147 59.413 56.400 -0.223 0.000 0.813 211 E CB -0.535 28.910 29.700 -0.426 0.000 0.736 211 E HN -0.127 7.999 8.360 -0.292 0.059 0.468 212 R N -1.631 118.602 120.500 -0.445 0.000 2.070 212 R HA -0.276 nan 4.340 nan 0.000 0.233 212 R C 2.584 178.774 176.300 -0.183 0.000 1.137 212 R CA 3.179 59.064 56.100 -0.358 0.000 0.945 212 R CB -0.101 29.942 30.300 -0.429 0.000 0.845 212 R HN 0.245 8.165 8.270 -0.576 0.005 0.430 213 L N -1.495 119.637 121.223 -0.151 0.000 2.201 213 L HA -0.229 nan 4.340 nan 0.000 0.212 213 L C 2.703 179.532 176.870 -0.069 0.000 1.105 213 L CA 2.758 57.531 54.840 -0.113 0.000 0.775 213 L CB -0.618 41.359 42.059 -0.137 0.000 0.913 213 L HN -0.498 7.627 8.230 -0.175 0.000 0.440 214 S N 1.768 117.471 115.700 0.004 0.000 2.368 214 S HA -0.351 nan 4.470 nan 0.000 0.225 214 S C 1.710 176.325 174.600 0.025 0.000 1.030 214 S CA 4.427 62.684 58.200 0.094 0.000 0.999 214 S CB -0.552 62.744 63.200 0.159 0.000 0.844 214 S HN 0.489 8.659 8.310 -0.014 0.132 0.459 215 N N -1.478 117.219 118.700 -0.004 0.000 2.520 215 N HA -0.212 nan 4.740 nan 0.000 0.185 215 N C 0.189 175.679 175.510 -0.034 0.000 1.068 215 N CA 0.996 54.037 53.050 -0.015 0.000 0.911 215 N CB 0.230 38.708 38.487 -0.015 0.000 0.961 215 N HN -0.820 7.541 8.380 -0.015 0.009 0.446 216 G N -1.866 106.901 108.800 -0.054 0.000 2.212 216 G HA2 -0.306 nan 3.960 nan 0.000 0.255 216 G HA3 -0.306 nan 3.960 nan 0.000 0.255 216 G C -0.864 173.999 174.900 -0.062 0.000 1.062 216 G CA 0.277 45.336 45.100 -0.067 0.000 0.815 216 G HN -0.417 7.622 8.290 -0.057 0.216 0.497 217 L N -2.271 118.909 121.223 -0.072 0.000 2.299 217 L HA 0.411 nan 4.340 nan 0.000 0.268 217 L C -0.754 176.066 176.870 -0.083 0.000 1.012 217 L CA -2.104 52.693 54.840 -0.070 0.000 0.816 217 L CB 2.808 44.820 42.059 -0.079 0.000 1.355 217 L HN -0.032 8.148 8.230 -0.083 0.000 0.457 218 Q N -3.274 116.485 119.800 -0.068 0.000 2.260 218 Q HA 0.177 nan 4.340 nan 0.000 0.238 218 Q C -0.391 175.561 176.000 -0.081 0.000 0.948 218 Q CA -1.004 54.761 55.803 -0.064 0.000 0.895 218 Q CB 0.979 29.695 28.738 -0.036 0.000 1.218 218 Q HN 0.036 8.274 8.270 -0.053 0.000 0.470 219 R N -0.298 120.159 120.500 -0.071 0.000 2.740 219 R HA -0.260 nan 4.340 nan 0.000 0.263 219 R C -0.143 176.158 176.300 0.001 0.000 0.997 219 R CA 1.255 57.323 56.100 -0.054 0.000 1.108 219 R CB 0.401 30.688 30.300 -0.021 0.000 0.969 219 R HN -0.181 8.261 8.270 -0.065 -0.211 0.431 220 M N 1.910 121.546 119.600 0.061 0.000 2.188 220 M HA -0.128 nan 4.480 nan 0.000 0.354 220 M C -0.374 176.014 176.300 0.147 0.000 1.342 220 M CA -1.016 54.377 55.300 0.155 0.000 1.117 220 M CB 0.788 33.597 32.600 0.348 0.000 1.670 220 M HN -0.012 8.678 8.290 0.068 -0.358 0.466 221 I N 7.104 127.750 120.570 0.127 0.000 2.598 221 I HA 0.060 nan 4.170 nan 0.000 0.284 221 I C -1.825 174.378 176.117 0.144 0.000 1.140 221 I CA -2.718 58.649 61.300 0.111 0.000 1.420 221 I CB 0.965 39.014 38.000 0.083 0.000 1.387 221 I HN 0.103 8.385 8.210 0.120 0.000 0.553 222 P HA 0.004 nan 4.420 nan 0.000 0.271 222 P C -1.148 176.222 177.300 0.116 0.000 1.218 222 P CA -0.870 62.324 63.100 0.157 0.000 0.780 222 P CB 0.726 32.527 31.700 0.169 0.000 0.901 223 F N 4.372 124.241 119.950 -0.135 0.000 2.661 223 F HA -0.035 nan 4.527 nan 0.000 0.356 223 F C -0.511 174.773 175.800 -0.861 0.000 1.244 223 F CA -1.197 56.573 58.000 -0.384 0.000 1.290 223 F CB -0.657 38.145 39.000 -0.330 0.000 1.677 223 F HN 0.161 8.496 8.300 0.178 0.072 0.649 224 H N 5.036 123.742 119.070 -0.605 0.000 2.436 224 H HA -0.143 nan 4.556 nan 0.000 0.294 224 H C -0.624 174.282 175.328 -0.704 0.000 1.048 224 H CA 1.461 57.192 56.048 -0.527 0.000 1.353 224 H CB 0.739 30.398 29.762 -0.172 0.000 1.414 224 H HN -0.059 8.038 8.280 -0.217 0.053 0.536 225 N N -2.423 115.818 118.700 -0.766 0.000 2.384 225 N HA -0.002 nan 4.740 nan 0.000 0.301 225 N C -0.440 174.408 175.510 -1.103 0.000 1.133 225 N CA -1.409 51.279 53.050 -0.603 0.000 0.853 225 N CB 1.638 39.965 38.487 -0.267 0.000 1.241 225 N HN -0.520 7.376 8.380 -0.807 0.000 0.502 226 F N -0.584 119.017 119.950 -0.582 0.000 2.530 226 F HA -0.038 nan 4.527 nan 0.000 0.292 226 F C 0.936 176.625 175.800 -0.184 0.000 1.109 226 F CA 1.843 59.602 58.000 -0.402 0.000 1.450 226 F CB 0.729 39.669 39.000 -0.099 0.000 1.114 226 F HN 0.422 8.752 8.300 0.049 0.000 0.560 227 D N -0.811 119.579 120.400 -0.016 0.000 2.104 227 D HA -0.265 nan 4.640 nan 0.000 0.194 227 D C 0.523 176.813 176.300 -0.017 0.000 0.994 227 D CA 2.450 56.443 54.000 -0.012 0.000 0.830 227 D CB -0.378 40.402 40.800 -0.034 0.000 0.959 227 D HN -0.720 7.874 8.370 -0.030 -0.242 0.452 228 E N -0.317 119.828 120.200 -0.092 0.000 2.493 228 E HA 0.050 nan 4.350 nan 0.000 0.255 228 E C -1.348 175.309 176.600 0.095 0.000 0.999 228 E CA -1.190 55.185 56.400 -0.041 0.000 0.934 228 E CB -0.442 29.192 29.700 -0.110 0.000 0.940 228 E HN -0.065 8.180 8.360 -0.191 0.000 0.473 229 P HA -0.155 nan 4.420 nan 0.000 0.267 229 P C -1.599 175.819 177.300 0.198 0.000 1.195 229 P CA 0.672 63.847 63.100 0.125 0.000 0.773 229 P CB 0.344 32.074 31.700 0.050 0.000 0.837 230 L N 1.547 122.894 121.223 0.207 0.000 2.325 230 L HA 0.202 nan 4.340 nan 0.000 0.279 230 L C -0.109 176.866 176.870 0.176 0.000 1.054 230 L CA -0.686 54.262 54.840 0.181 0.000 0.804 230 L CB 1.087 43.227 42.059 0.135 0.000 1.200 230 L HN 0.265 8.511 8.230 0.212 0.111 0.436 231 E N 2.073 122.363 120.200 0.151 0.000 2.422 231 E HA -0.148 nan 4.350 nan 0.000 0.260 231 E C 0.347 177.051 176.600 0.173 0.000 1.108 231 E CA 0.630 57.121 56.400 0.152 0.000 0.943 231 E CB 0.778 30.560 29.700 0.137 0.000 0.961 231 E HN 0.289 8.732 8.360 0.137 0.000 0.443 232 G N -0.563 108.345 108.800 0.180 0.000 2.377 232 G HA2 0.372 nan 3.960 nan 0.000 0.299 232 G HA3 0.372 nan 3.960 nan 0.000 0.299 232 G C -1.758 173.296 174.900 0.256 0.000 1.150 232 G CA -0.428 44.784 45.100 0.186 0.000 0.847 232 G HN 0.018 8.408 8.290 0.167 0.000 0.501 233 Y N 3.922 124.248 120.300 0.044 0.000 2.474 233 Y HA 0.067 nan 4.550 nan 0.000 0.326 233 Y C -2.926 172.964 175.900 -0.017 0.000 1.160 233 Y CA 0.474 58.593 58.100 0.032 0.000 1.056 233 Y CB 4.241 42.725 38.460 0.040 0.000 1.330 233 Y HN 0.800 9.075 8.280 0.169 0.106 0.447 234 A N 5.786 128.164 122.820 -0.736 0.000 2.293 234 A HA 0.465 nan 4.320 nan 0.000 0.312 234 A C -1.827 175.120 177.584 -1.063 0.000 1.309 234 A CA -4.439 47.140 52.037 -0.762 0.000 0.839 234 A CB 0.553 19.155 19.000 -0.664 0.000 1.155 234 A HN 0.286 7.958 8.150 -0.796 0.000 0.501 235 P HA -0.182 nan 4.420 nan 0.000 0.220 235 P C -0.723 176.553 177.300 -0.041 0.000 1.148 235 P CA 1.134 64.050 63.100 -0.305 0.000 0.803 235 P CB 0.173 31.805 31.700 -0.114 0.000 0.782 236 H N -6.862 112.125 119.070 -0.138 0.000 2.880 236 H HA -0.286 nan 4.556 nan 0.000 0.304 236 H C -1.699 173.632 175.328 0.005 0.000 1.259 236 H CA 0.347 56.364 56.048 -0.052 0.000 1.153 236 H CB -1.888 27.851 29.762 -0.038 0.000 1.395 236 H HN 0.385 8.374 8.280 -0.407 0.046 0.420 237 L N -0.550 120.729 121.223 0.093 0.000 2.377 237 L HA 0.360 nan 4.340 nan 0.000 0.270 237 L C -1.220 175.778 176.870 0.214 0.000 0.991 237 L CA -0.902 54.017 54.840 0.132 0.000 0.851 237 L CB 1.735 43.814 42.059 0.034 0.000 1.218 237 L HN -0.284 7.975 8.230 0.048 0.000 0.420 238 T N -0.614 114.042 114.554 0.170 0.000 2.875 238 T HA 0.465 nan 4.350 nan 0.000 0.284 238 T C -0.053 174.746 174.700 0.164 0.000 0.995 238 T CA -2.377 59.810 62.100 0.146 0.000 1.060 238 T CB 0.802 69.725 68.868 0.092 0.000 0.967 238 T HN 0.078 8.406 8.240 0.146 0.000 0.476 239 S N 3.646 119.416 115.700 0.116 0.000 2.499 239 S HA 0.315 nan 4.470 nan 0.000 0.275 239 S C 1.762 176.432 174.600 0.116 0.000 1.257 239 S CA -0.944 57.329 58.200 0.122 0.000 1.050 239 S CB 1.065 64.257 63.200 -0.012 0.000 0.937 239 S HN 0.102 8.443 8.310 0.050 0.000 0.490 240 L N 1.507 122.832 121.223 0.170 0.000 2.450 240 L HA -0.109 nan 4.340 nan 0.000 0.224 240 L C 0.677 177.629 176.870 0.137 0.000 1.149 240 L CA 2.160 57.091 54.840 0.153 0.000 0.816 240 L CB -0.596 41.573 42.059 0.183 0.000 0.932 240 L HN 0.090 8.681 8.230 0.223 -0.227 0.449 241 V N -7.486 112.513 119.914 0.142 0.000 3.141 241 V HA -0.092 nan 4.120 nan 0.000 0.265 241 V C 0.458 176.585 176.094 0.056 0.000 1.126 241 V CA 0.314 62.682 62.300 0.113 0.000 1.141 241 V CB -0.934 30.951 31.823 0.104 0.000 0.743 241 V HN 0.244 8.461 8.190 0.147 0.061 0.492 242 S N -0.257 115.468 115.700 0.040 0.000 3.407 242 S HA 0.221 nan 4.470 nan 0.000 0.315 242 S C -0.774 173.837 174.600 0.018 0.000 1.211 242 S CA 0.065 58.276 58.200 0.019 0.000 1.148 242 S CB 1.431 64.633 63.200 0.003 0.000 1.511 242 S HN -0.635 7.644 8.310 0.051 0.061 0.604 243 G N -0.688 108.116 108.800 0.007 0.000 2.709 243 G HA2 0.209 nan 3.960 nan 0.000 0.208 243 G HA3 0.209 nan 3.960 nan 0.000 0.208 243 G C 0.084 174.986 174.900 0.003 0.000 1.129 243 G CA 0.209 45.314 45.100 0.008 0.000 0.793 243 G HN 0.110 8.400 8.290 0.000 0.000 0.524 244 L N 0.743 121.958 121.223 -0.013 0.000 2.425 244 L HA 0.057 nan 4.340 nan 0.000 0.225 244 L C -0.641 176.207 176.870 -0.036 0.000 1.222 244 L CA 0.591 55.413 54.840 -0.029 0.000 0.832 244 L CB 0.856 42.887 42.059 -0.046 0.000 1.238 244 L HN -0.712 7.510 8.230 -0.014 0.000 0.533 245 Q N -5.379 114.389 119.800 -0.053 0.000 2.534 245 Q HA 0.298 nan 4.340 nan 0.000 0.290 245 Q C -1.226 174.731 176.000 -0.072 0.000 0.991 245 Q CA -1.487 54.296 55.803 -0.033 0.000 0.783 245 Q CB 2.763 31.530 28.738 0.049 0.000 1.470 245 Q HN -0.204 8.032 8.270 -0.057 0.000 0.406 246 Y N 0.462 120.760 120.300 -0.003 0.000 2.828 246 Y HA -0.305 nan 4.550 nan 0.000 0.359 246 Y C -0.133 175.752 175.900 -0.026 0.000 1.258 246 Y CA 1.375 59.472 58.100 -0.005 0.000 1.652 246 Y CB -1.101 37.356 38.460 -0.006 0.000 1.232 246 Y HN -0.293 8.148 8.280 0.268 0.000 0.513 247 A N 6.714 129.580 122.820 0.076 0.000 2.567 247 A HA -0.159 nan 4.320 nan 0.000 0.240 247 A C -1.241 176.360 177.584 0.028 0.000 1.053 247 A CA 0.798 52.850 52.037 0.026 0.000 0.755 247 A CB 0.502 19.510 19.000 0.012 0.000 0.978 247 A HN 0.175 8.348 8.150 0.038 0.000 0.507 248 S N 1.513 117.197 115.700 -0.026 0.000 2.509 248 S HA 0.132 nan 4.470 nan 0.000 0.297 248 S C -0.397 174.178 174.600 -0.043 0.000 1.118 248 S CA -1.049 57.126 58.200 -0.041 0.000 1.074 248 S CB 2.005 65.127 63.200 -0.130 0.000 1.038 248 S HN -0.133 8.147 8.310 -0.050 0.000 0.498 249 R N 3.303 123.804 120.500 0.002 0.000 2.298 249 R HA 0.368 nan 4.340 nan 0.000 0.310 249 R C -1.374 174.935 176.300 0.015 0.000 1.068 249 R CA -2.814 53.282 56.100 -0.007 0.000 0.957 249 R CB 1.089 31.427 30.300 0.062 0.000 1.003 249 R HN 0.009 8.306 8.270 0.046 0.000 0.454 250 P HA -0.064 nan 4.420 nan 0.000 0.272 250 P C -1.288 176.177 177.300 0.274 0.000 1.223 250 P CA -0.233 62.920 63.100 0.089 0.000 0.784 250 P CB 0.490 32.221 31.700 0.053 0.000 0.923 251 E N 0.064 120.414 120.200 0.250 0.000 2.392 251 E HA -0.233 nan 4.350 nan 0.000 0.259 251 E C 0.411 177.168 176.600 0.262 0.000 1.108 251 E CA -0.335 56.210 56.400 0.242 0.000 0.916 251 E CB -0.139 29.655 29.700 0.156 0.000 0.989 251 E HN -0.094 8.377 8.360 0.185 0.000 0.432 252 G N 1.062 109.942 108.800 0.133 0.000 2.165 252 G HA2 -0.403 nan 3.960 nan 0.000 0.226 252 G HA3 -0.403 nan 3.960 nan 0.000 0.226 252 G C -1.525 173.121 174.900 -0.423 0.000 1.035 252 G CA -0.024 45.038 45.100 -0.064 0.000 0.744 252 G HN 0.090 8.471 8.290 0.152 0.000 0.501 253 Y N -0.186 120.180 120.300 0.110 0.000 2.369 253 Y HA 0.108 nan 4.550 nan 0.000 0.337 253 Y C -0.785 175.211 175.900 0.161 0.000 0.961 253 Y CA -2.002 56.181 58.100 0.138 0.000 1.186 253 Y CB 0.771 39.309 38.460 0.130 0.000 1.139 253 Y HN -0.821 7.545 8.280 0.144 0.000 0.494 254 S N 4.038 119.747 115.700 0.015 0.000 2.560 254 S HA 0.004 nan 4.470 nan 0.000 0.284 254 S C -0.297 174.441 174.600 0.229 0.000 1.327 254 S CA 0.194 58.445 58.200 0.085 0.000 1.055 254 S CB 0.754 63.924 63.200 -0.051 0.000 0.868 254 S HN 0.532 8.735 8.310 -0.178 0.000 0.506 255 I N 5.247 125.944 120.570 0.212 0.000 2.993 255 I HA -0.126 nan 4.170 nan 0.000 0.286 255 I C -1.879 174.325 176.117 0.145 0.000 1.215 255 I CA 0.360 61.815 61.300 0.259 0.000 1.393 255 I CB 0.835 39.050 38.000 0.357 0.000 1.371 255 I HN -0.041 8.295 8.210 0.209 0.000 0.602 256 H N 4.144 123.293 119.070 0.132 0.000 2.974 256 H HA 0.236 nan 4.556 nan 0.000 0.366 256 H C -1.648 173.719 175.328 0.065 0.000 1.155 256 H CA -1.072 55.032 56.048 0.093 0.000 1.186 256 H CB 3.816 33.639 29.762 0.101 0.000 1.799 256 H HN 0.241 8.696 8.280 0.291 0.000 0.541 257 D N 1.886 122.370 120.400 0.141 0.000 2.364 257 D HA 0.110 nan 4.640 nan 0.000 0.236 257 D C -0.853 175.494 176.300 0.079 0.000 1.221 257 D CA 1.110 55.145 54.000 0.059 0.000 0.891 257 D CB 0.554 41.359 40.800 0.009 0.000 1.190 257 D HN 0.064 8.503 8.370 0.116 0.000 0.449 258 L N -0.894 120.351 121.223 0.036 0.000 2.323 258 L HA 0.292 nan 4.340 nan 0.000 0.265 258 L C 0.469 177.366 176.870 0.044 0.000 1.012 258 L CA -1.057 53.823 54.840 0.068 0.000 0.820 258 L CB 2.360 44.474 42.059 0.091 0.000 1.334 258 L HN 0.242 8.462 8.230 -0.016 0.000 0.427 259 S N 0.867 116.618 115.700 0.085 0.000 2.465 259 S HA -0.264 nan 4.470 nan 0.000 0.241 259 S C -0.104 174.530 174.600 0.056 0.000 1.000 259 S CA 2.771 61.015 58.200 0.073 0.000 0.964 259 S CB -0.170 63.094 63.200 0.107 0.000 0.763 259 S HN 0.768 9.147 8.310 0.115 0.000 0.512 260 D N -0.238 120.191 120.400 0.049 0.000 2.429 260 D HA -0.027 nan 4.640 nan 0.000 0.242 260 D C -1.381 174.803 176.300 -0.193 0.000 1.076 260 D CA 0.802 54.778 54.000 -0.040 0.000 0.955 260 D CB 0.783 41.584 40.800 0.001 0.000 1.076 260 D HN 0.131 8.520 8.370 0.094 0.038 0.448 261 V N 0.242 119.971 119.914 -0.309 0.000 2.628 261 V HA 0.236 nan 4.120 nan 0.000 0.306 261 V C -1.362 174.566 176.094 -0.275 0.000 1.045 261 V CA -1.773 60.278 62.300 -0.415 0.000 0.905 261 V CB 2.856 34.225 31.823 -0.755 0.000 0.997 261 V HN -0.307 7.748 8.190 -0.225 0.000 0.436 262 D N 3.699 123.924 120.400 -0.292 0.000 2.339 262 D HA 0.059 nan 4.640 nan 0.000 0.245 262 D C 1.109 177.235 176.300 -0.289 0.000 1.115 262 D CA -0.183 53.674 54.000 -0.237 0.000 0.917 262 D CB 0.894 41.560 40.800 -0.222 0.000 1.192 262 D HN -0.054 8.119 8.370 -0.329 0.000 0.428 263 V N 0.637 120.425 119.914 -0.211 0.000 2.490 263 V HA -0.413 nan 4.120 nan 0.000 0.250 263 V C 1.775 177.623 176.094 -0.410 0.000 1.061 263 V CA 4.038 66.191 62.300 -0.245 0.000 1.064 263 V CB -0.900 30.839 31.823 -0.140 0.000 0.670 263 V HN 0.183 8.609 8.190 -0.150 -0.326 0.461 264 Q N -0.215 119.375 119.800 -0.351 0.000 2.030 264 Q HA -0.466 nan 4.340 nan 0.000 0.204 264 Q C 1.528 177.234 176.000 -0.489 0.000 0.986 264 Q CA 3.893 59.474 55.803 -0.370 0.000 0.843 264 Q CB -0.451 28.124 28.738 -0.272 0.000 0.904 264 Q HN 0.159 8.245 8.270 -0.276 0.018 0.420 265 D N 0.077 120.115 120.400 -0.604 0.000 2.218 265 D HA -0.231 nan 4.640 nan 0.000 0.204 265 D C 2.440 177.876 176.300 -1.440 0.000 0.976 265 D CA 3.245 56.675 54.000 -0.950 0.000 0.853 265 D CB -0.142 40.070 40.800 -0.980 0.000 0.939 265 D HN -0.295 8.016 8.370 -0.516 -0.251 0.481 266 M N -0.875 118.131 119.600 -0.990 0.000 2.080 266 M HA -0.330 nan 4.480 nan 0.000 0.260 266 M C 2.394 178.521 176.300 -0.288 0.000 1.068 266 M CA 3.206 58.238 55.300 -0.448 0.000 1.109 266 M CB -0.889 31.607 32.600 -0.173 0.000 1.342 266 M HN -0.506 7.297 8.290 -0.792 0.012 0.405 267 V N -0.471 119.135 119.914 -0.513 0.000 2.407 267 V HA -0.479 nan 4.120 nan 0.000 0.248 267 V C 2.303 178.260 176.094 -0.228 0.000 1.055 267 V CA 4.167 66.221 62.300 -0.409 0.000 1.049 267 V CB -1.200 30.335 31.823 -0.479 0.000 0.662 267 V HN -0.044 7.696 8.190 -0.603 0.088 0.455 268 R N -0.727 119.574 120.500 -0.331 0.000 2.088 268 R HA -0.378 nan 4.340 nan 0.000 0.232 268 R C 2.112 178.318 176.300 -0.158 0.000 1.136 268 R CA 3.737 59.670 56.100 -0.279 0.000 0.926 268 R CB -0.274 29.794 30.300 -0.388 0.000 0.837 268 R HN 0.313 8.207 8.270 -0.449 0.106 0.429 269 W N -2.207 118.990 121.300 -0.173 0.000 2.290 269 W HA -0.326 nan 4.660 nan 0.000 0.318 269 W C 2.373 178.842 176.519 -0.085 0.000 1.248 269 W CA 2.071 59.318 57.345 -0.163 0.000 1.263 269 W CB -1.129 28.298 29.460 -0.055 0.000 1.147 269 W HN 0.027 7.870 8.180 -0.561 0.000 0.494 270 R N -1.974 118.651 120.500 0.207 0.000 2.081 270 R HA -0.442 nan 4.340 nan 0.000 0.235 270 R C 2.029 178.357 176.300 0.046 0.000 1.131 270 R CA 3.752 59.935 56.100 0.138 0.000 0.960 270 R CB -0.291 30.140 30.300 0.219 0.000 0.856 270 R HN -0.526 7.855 8.270 0.196 0.006 0.436 271 E N -1.497 118.711 120.200 0.013 0.000 2.107 271 E HA -0.203 nan 4.350 nan 0.000 0.191 271 E C 2.786 179.376 176.600 -0.017 0.000 0.982 271 E CA 2.177 58.571 56.400 -0.011 0.000 0.809 271 E CB -0.868 28.817 29.700 -0.025 0.000 0.756 271 E HN -0.399 7.875 8.360 0.001 0.087 0.459 272 R N -0.680 119.789 120.500 -0.052 0.000 2.152 272 R HA -0.250 nan 4.340 nan 0.000 0.232 272 R C 2.993 179.338 176.300 0.074 0.000 1.117 272 R CA 3.059 59.103 56.100 -0.094 0.000 0.981 272 R CB -0.147 29.837 30.300 -0.527 0.000 0.870 272 R HN 0.026 8.255 8.270 -0.068 0.000 0.451 273 I N 0.129 120.759 120.570 0.100 0.000 2.235 273 I HA -0.399 nan 4.170 nan 0.000 0.241 273 I C 1.440 177.527 176.117 -0.050 0.000 1.085 273 I CA 3.761 65.118 61.300 0.095 0.000 1.378 273 I CB 0.053 38.055 38.000 0.004 0.000 1.076 273 I HN -0.074 8.045 8.210 0.058 0.125 0.415 274 L N -1.162 120.021 121.223 -0.066 0.000 2.083 274 L HA -0.476 nan 4.340 nan 0.000 0.209 274 L C 2.148 178.951 176.870 -0.110 0.000 1.083 274 L CA 3.254 58.029 54.840 -0.107 0.000 0.752 274 L CB -0.845 41.170 42.059 -0.072 0.000 0.899 274 L HN 0.061 8.271 8.230 -0.033 0.000 0.433 275 D N -0.710 119.648 120.400 -0.068 0.000 2.117 275 D HA -0.299 nan 4.640 nan 0.000 0.197 275 D C 1.533 177.749 176.300 -0.140 0.000 0.987 275 D CA 3.731 57.687 54.000 -0.074 0.000 0.829 275 D CB -0.170 40.615 40.800 -0.025 0.000 0.961 275 D HN -0.046 8.301 8.370 -0.039 0.000 0.460 276 A N -1.072 121.668 122.820 -0.133 0.000 2.019 276 A HA -0.163 nan 4.320 nan 0.000 0.219 276 A C 2.288 179.663 177.584 -0.349 0.000 1.164 276 A CA 2.689 54.577 52.037 -0.248 0.000 0.644 276 A CB -0.765 18.193 19.000 -0.070 0.000 0.805 276 A HN -0.747 7.281 8.150 -0.049 0.093 0.449 277 I N -1.959 118.404 120.570 -0.344 0.000 2.142 277 I HA -0.514 nan 4.170 nan 0.000 0.240 277 I C 1.403 177.153 176.117 -0.610 0.000 1.078 277 I CA 3.962 64.982 61.300 -0.467 0.000 1.343 277 I CB -0.325 37.457 38.000 -0.363 0.000 1.046 277 I HN -0.030 8.020 8.210 -0.267 0.000 0.405 278 N N -1.585 116.904 118.700 -0.352 0.000 2.104 278 N HA -0.217 nan 4.740 nan 0.000 0.190 278 N C 2.190 177.653 175.510 -0.079 0.000 1.024 278 N CA 2.593 55.522 53.050 -0.201 0.000 0.853 278 N CB 0.195 38.632 38.487 -0.084 0.000 1.008 278 N HN -0.580 7.644 8.380 -0.259 0.000 0.424 279 M N -2.039 117.465 119.600 -0.160 0.000 2.476 279 M HA -0.213 nan 4.480 nan 0.000 0.262 279 M C -0.470 175.836 176.300 0.010 0.000 1.079 279 M CA 2.472 57.704 55.300 -0.114 0.000 1.104 279 M CB 0.239 32.560 32.600 -0.464 0.000 1.409 279 M HN 0.406 8.453 8.290 -0.225 0.108 0.467 280 H N -6.914 112.088 119.070 -0.113 0.000 2.936 280 H HA -0.386 nan 4.556 nan 0.000 0.276 280 H C -1.508 173.887 175.328 0.111 0.000 1.216 280 H CA 1.370 57.438 56.048 0.032 0.000 1.132 280 H CB -3.084 26.762 29.762 0.140 0.000 1.303 280 H HN -0.217 7.557 8.280 -0.431 0.247 0.370 281 Y N -6.568 113.772 120.300 0.067 0.000 2.670 281 Y HA 0.848 nan 4.550 nan 0.000 0.334 281 Y C -2.533 173.392 175.900 0.041 0.000 1.185 281 Y CA -2.257 55.880 58.100 0.063 0.000 1.053 281 Y CB 3.171 41.681 38.460 0.082 0.000 1.298 281 Y HN -0.431 7.616 8.280 -0.388 0.000 0.459 282 I N -4.187 116.590 120.570 0.346 0.000 2.647 282 I HA 0.542 nan 4.170 nan 0.000 0.295 282 I C -1.502 174.808 176.117 0.322 0.000 1.078 282 I CA -1.722 59.751 61.300 0.288 0.000 1.048 282 I CB 3.836 41.865 38.000 0.049 0.000 1.239 282 I HN 0.148 8.564 8.210 0.343 0.000 0.421 283 V N -1.788 118.335 119.914 0.349 0.000 2.348 283 V HA 0.425 nan 4.120 nan 0.000 0.270 283 V C -0.138 176.075 176.094 0.197 0.000 1.037 283 V CA -2.489 59.924 62.300 0.188 0.000 0.872 283 V CB -0.849 30.999 31.823 0.041 0.000 1.002 283 V HN -0.212 8.270 8.190 0.486 0.000 0.464 284 D N 7.830 128.307 120.400 0.128 0.000 2.398 284 D HA 0.173 nan 4.640 nan 0.000 0.247 284 D C 1.340 177.686 176.300 0.077 0.000 1.227 284 D CA -0.909 53.159 54.000 0.113 0.000 0.980 284 D CB 0.947 41.790 40.800 0.073 0.000 1.106 284 D HN -0.450 7.981 8.370 0.101 0.000 0.493 285 K N -0.289 120.154 120.400 0.071 0.000 2.589 285 K HA -0.289 nan 4.320 nan 0.000 0.195 285 K C 0.062 176.676 176.600 0.024 0.000 1.040 285 K CA 2.353 58.668 56.287 0.047 0.000 0.950 285 K CB -0.741 31.790 32.500 0.050 0.000 0.781 285 K HN 0.560 8.860 8.250 0.082 0.000 0.486 286 D N -5.486 114.926 120.400 0.019 0.000 2.379 286 D HA -0.008 nan 4.640 nan 0.000 0.208 286 D C -0.165 176.132 176.300 -0.006 0.000 1.065 286 D CA -0.674 53.329 54.000 0.006 0.000 0.848 286 D CB -0.345 40.459 40.800 0.006 0.000 0.949 286 D HN -0.530 7.781 8.370 0.027 0.075 0.509 287 N N -3.578 115.116 118.700 -0.010 0.000 2.994 287 N HA -0.414 nan 4.740 nan 0.000 0.221 287 N C -1.158 174.336 175.510 -0.027 0.000 0.900 287 N CA 1.521 54.553 53.050 -0.030 0.000 1.008 287 N CB -1.580 36.882 38.487 -0.042 0.000 1.053 287 N HN 0.430 8.694 8.380 0.002 0.118 0.580 288 N N 1.899 120.590 118.700 -0.014 0.000 2.488 288 N HA 0.042 nan 4.740 nan 0.000 0.274 288 N C -0.938 174.561 175.510 -0.018 0.000 1.111 288 N CA 0.434 53.469 53.050 -0.026 0.000 0.974 288 N CB 1.045 39.521 38.487 -0.018 0.000 1.089 288 N HN -0.459 8.180 8.380 -0.002 -0.261 0.465 289 K N 2.617 122.973 120.400 -0.073 0.000 2.315 289 K HA 0.199 nan 4.320 nan 0.000 0.291 289 K C -0.248 176.339 176.600 -0.021 0.000 1.074 289 K CA -0.257 55.973 56.287 -0.094 0.000 0.936 289 K CB -0.531 31.721 32.500 -0.414 0.000 1.049 289 K HN 0.173 8.361 8.250 -0.104 0.000 0.471 290 I N 0.800 121.407 120.570 0.061 0.000 2.488 290 I HA 0.546 nan 4.170 nan 0.000 0.299 290 I C -2.043 174.151 176.117 0.128 0.000 0.984 290 I CA -3.350 57.991 61.300 0.069 0.000 1.250 290 I CB 1.001 39.035 38.000 0.056 0.000 1.389 290 I HN 0.298 8.562 8.210 0.091 0.000 0.488 291 P HA 0.086 nan 4.420 nan 0.000 0.271 291 P C -0.846 176.581 177.300 0.211 0.000 1.216 291 P CA -0.180 63.033 63.100 0.188 0.000 0.771 291 P CB 0.097 31.891 31.700 0.158 0.000 0.864 292 L N 5.410 126.782 121.223 0.248 0.000 2.391 292 L HA -0.104 nan 4.340 nan 0.000 0.249 292 L C -0.484 176.671 176.870 0.474 0.000 1.308 292 L CA -0.611 54.395 54.840 0.277 0.000 1.209 292 L CB -1.190 40.910 42.059 0.068 0.000 1.401 292 L HN 0.235 8.540 8.230 0.279 0.092 0.416 293 D N 3.379 123.983 120.400 0.340 0.000 2.369 293 D HA -0.064 nan 4.640 nan 0.000 0.241 293 D C 0.932 177.305 176.300 0.121 0.000 1.271 293 D CA -0.118 54.014 54.000 0.220 0.000 0.942 293 D CB 2.083 42.997 40.800 0.190 0.000 1.129 293 D HN -0.207 8.286 8.370 0.285 0.048 0.476 294 I N -0.951 119.507 120.570 -0.187 0.000 2.162 294 I HA -0.342 nan 4.170 nan 0.000 0.238 294 I C 1.178 177.122 176.117 -0.289 0.000 1.076 294 I CA 3.074 64.047 61.300 -0.546 0.000 1.353 294 I CB 0.348 38.046 38.000 -0.503 0.000 1.063 294 I HN 0.129 8.273 8.210 -0.110 0.000 0.408 295 E N -2.283 117.765 120.200 -0.254 0.000 2.011 295 E HA -0.184 nan 4.350 nan 0.000 0.191 295 E C 2.536 178.986 176.600 -0.250 0.000 0.980 295 E CA 2.311 58.513 56.400 -0.331 0.000 0.814 295 E CB 0.286 29.625 29.700 -0.601 0.000 0.775 295 E HN -0.634 7.930 8.360 -0.223 -0.338 0.454 296 H N 0.090 119.183 119.070 0.038 0.000 2.421 296 H HA -0.141 nan 4.556 nan 0.000 0.298 296 H C 2.516 177.904 175.328 0.101 0.000 1.087 296 H CA 3.148 59.232 56.048 0.060 0.000 1.330 296 H CB -0.485 29.308 29.762 0.051 0.000 1.388 296 H HN -0.107 8.274 8.280 -0.406 -0.345 0.526 297 G N -1.660 107.275 108.800 0.226 0.000 2.550 297 G HA2 -0.404 nan 3.960 nan 0.000 0.222 297 G HA3 -0.404 nan 3.960 nan 0.000 0.222 297 G C 1.257 176.310 174.900 0.255 0.000 1.113 297 G CA 2.538 47.805 45.100 0.279 0.000 0.748 297 G HN 0.325 8.684 8.290 0.186 0.042 0.585 298 T N 2.136 116.831 114.554 0.235 0.000 3.035 298 T HA -0.082 nan 4.350 nan 0.000 0.259 298 T C 1.763 176.577 174.700 0.190 0.000 1.078 298 T CA 3.711 65.950 62.100 0.232 0.000 1.132 298 T CB -0.310 68.671 68.868 0.190 0.000 0.900 298 T HN -0.713 7.616 8.240 0.195 0.029 0.480 299 D N 2.820 123.309 120.400 0.148 0.000 2.123 299 D HA -0.094 nan 4.640 nan 0.000 0.200 299 D C 1.317 177.689 176.300 0.120 0.000 0.976 299 D CA 2.878 56.954 54.000 0.126 0.000 0.831 299 D CB -0.004 40.863 40.800 0.113 0.000 0.974 299 D HN -0.158 8.298 8.370 0.142 0.000 0.469 300 I N -4.035 116.607 120.570 0.119 0.000 2.928 300 I HA -0.056 nan 4.170 nan 0.000 0.266 300 I C 1.619 177.755 176.117 0.033 0.000 1.234 300 I CA 2.702 64.048 61.300 0.078 0.000 1.483 300 I CB -0.015 38.032 38.000 0.079 0.000 1.097 300 I HN -0.380 7.916 8.210 0.144 0.000 0.455 301 L N 0.839 122.097 121.223 0.058 0.000 2.162 301 L HA 0.002 nan 4.340 nan 0.000 0.205 301 L C 1.368 178.302 176.870 0.106 0.000 1.086 301 L CA 2.129 56.969 54.840 0.000 0.000 0.778 301 L CB -0.087 41.976 42.059 0.007 0.000 0.928 301 L HN 0.194 8.311 8.230 0.116 0.183 0.446 302 G N -1.591 107.352 108.800 0.237 0.000 2.402 302 G HA2 -0.417 nan 3.960 nan 0.000 0.216 302 G HA3 -0.417 nan 3.960 nan 0.000 0.216 302 G C 0.703 175.659 174.900 0.094 0.000 1.162 302 G CA 2.515 47.806 45.100 0.319 0.000 0.777 302 G HN -0.107 8.233 8.290 0.220 0.083 0.539 303 D N 0.855 121.289 120.400 0.056 0.000 2.097 303 D HA -0.329 nan 4.640 nan 0.000 0.195 303 D C 1.948 178.243 176.300 -0.008 0.000 0.989 303 D CA 2.861 56.867 54.000 0.009 0.000 0.827 303 D CB -0.746 40.076 40.800 0.037 0.000 0.966 303 D HN 0.183 8.604 8.370 0.085 0.000 0.456 304 I N -0.665 119.904 120.570 -0.002 0.000 2.127 304 I HA -0.380 nan 4.170 nan 0.000 0.241 304 I C 1.470 177.578 176.117 -0.013 0.000 1.075 304 I CA 3.424 64.717 61.300 -0.013 0.000 1.334 304 I CB 0.025 37.973 38.000 -0.087 0.000 1.040 304 I HN -0.903 7.311 8.210 0.005 0.000 0.405 305 I N -2.142 118.417 120.570 -0.018 0.000 2.252 305 I HA -0.310 nan 4.170 nan 0.000 0.245 305 I C 1.338 177.475 176.117 0.033 0.000 1.102 305 I CA 1.880 63.192 61.300 0.020 0.000 1.385 305 I CB -0.024 38.000 38.000 0.041 0.000 1.064 305 I HN -0.190 8.011 8.210 -0.016 0.000 0.414 306 E N -1.513 118.632 120.200 -0.092 0.000 2.086 306 E HA -0.382 nan 4.350 nan 0.000 0.200 306 E C -0.678 175.938 176.600 0.028 0.000 1.012 306 E CA 3.419 59.704 56.400 -0.192 0.000 0.812 306 E CB -0.087 29.320 29.700 -0.488 0.000 0.743 306 E HN -0.556 7.727 8.360 -0.128 0.000 0.453 307 S N -3.742 111.947 115.700 -0.018 0.000 2.646 307 S HA 0.289 nan 4.470 nan 0.000 0.276 307 S C -0.417 174.164 174.600 -0.031 0.000 1.222 307 S CA -1.270 56.912 58.200 -0.030 0.000 1.014 307 S CB 2.156 65.348 63.200 -0.013 0.000 0.991 307 S HN -0.473 7.813 8.310 -0.039 0.000 0.533 308 S N 1.609 117.295 115.700 -0.023 0.000 2.745 308 S HA 0.224 nan 4.470 nan 0.000 0.292 308 S C 0.600 175.215 174.600 0.024 0.000 1.133 308 S CA -0.558 57.645 58.200 0.005 0.000 0.998 308 S CB 1.394 64.601 63.200 0.011 0.000 1.087 308 S HN 0.576 8.874 8.310 -0.020 0.000 0.551 309 D N 2.597 123.017 120.400 0.032 0.000 2.178 309 D HA -0.127 nan 4.640 nan 0.000 0.201 309 D C 0.852 177.170 176.300 0.029 0.000 0.980 309 D CA 2.825 56.841 54.000 0.027 0.000 0.842 309 D CB -0.091 40.713 40.800 0.006 0.000 0.948 309 D HN 0.445 8.837 8.370 0.037 0.000 0.472 310 E N -2.004 118.219 120.200 0.038 0.000 2.331 310 E HA -0.145 nan 4.350 nan 0.000 0.199 310 E C -0.068 176.557 176.600 0.041 0.000 1.008 310 E CA 1.265 57.691 56.400 0.044 0.000 0.843 310 E CB 0.058 29.794 29.700 0.060 0.000 0.761 310 E HN 0.128 8.517 8.360 0.047 -0.001 0.507 311 S N -0.835 114.888 115.700 0.038 0.000 2.973 311 S HA -0.229 nan 4.470 nan 0.000 0.357 311 S C 0.074 174.717 174.600 0.071 0.000 1.159 311 S CA 1.011 59.241 58.200 0.051 0.000 1.423 311 S CB -0.401 62.828 63.200 0.049 0.000 1.115 311 S HN -0.769 7.425 8.310 0.031 0.134 0.563 312 K N 3.650 124.095 120.400 0.075 0.000 2.103 312 K HA -0.290 nan 4.320 nan 0.000 0.207 312 K C -0.533 176.158 176.600 0.152 0.000 1.048 312 K CA 2.174 58.517 56.287 0.092 0.000 0.930 312 K CB 0.356 32.904 32.500 0.079 0.000 0.716 312 K HN -0.087 8.174 8.250 0.058 0.023 0.444 313 N N -5.159 113.697 118.700 0.259 0.000 2.249 313 N HA 0.154 nan 4.740 nan 0.000 0.296 313 N C -0.145 175.511 175.510 0.244 0.000 1.051 313 N CA -1.167 52.048 53.050 0.275 0.000 0.815 313 N CB 2.309 40.994 38.487 0.330 0.000 1.487 313 N HN -0.475 8.082 8.380 0.295 0.000 0.475 314 V N -1.456 118.532 119.914 0.124 0.000 2.690 314 V HA 0.297 nan 4.120 nan 0.000 0.240 314 V C 1.215 177.303 176.094 -0.010 0.000 1.078 314 V CA 1.887 64.218 62.300 0.051 0.000 1.102 314 V CB 0.571 32.428 31.823 0.057 0.000 0.800 314 V HN 0.465 8.725 8.190 0.116 0.000 0.479 315 E N 1.514 121.747 120.200 0.054 0.000 2.107 315 E HA -0.362 nan 4.350 nan 0.000 0.191 315 E C 1.759 178.427 176.600 0.115 0.000 0.982 315 E CA 2.806 59.264 56.400 0.097 0.000 0.809 315 E CB -0.336 29.440 29.700 0.128 0.000 0.756 315 E HN -0.282 8.272 8.360 0.082 -0.144 0.459 316 Y N 0.654 120.894 120.300 -0.101 0.000 2.206 316 Y HA -0.315 nan 4.550 nan 0.000 0.292 316 Y C 2.092 177.749 175.900 -0.404 0.000 1.123 316 Y CA 4.391 62.342 58.100 -0.248 0.000 1.142 316 Y CB 0.689 38.887 38.460 -0.437 0.000 1.006 316 Y HN -0.348 8.241 8.280 0.107 -0.246 0.518 317 Y N -3.930 116.274 120.300 -0.159 0.000 2.462 317 Y HA -0.032 nan 4.550 nan 0.000 0.261 317 Y C -0.123 175.352 175.900 -0.710 0.000 1.146 317 Y CA 0.609 58.533 58.100 -0.293 0.000 1.283 317 Y CB 0.260 38.648 38.460 -0.120 0.000 1.090 317 Y HN -0.312 7.879 8.280 -0.148 0.000 0.526 318 G N 0.227 108.388 108.800 -1.064 0.000 2.553 318 G HA2 -0.381 nan 3.960 nan 0.000 0.242 318 G HA3 -0.381 nan 3.960 nan 0.000 0.242 318 G C -1.524 173.049 174.900 -0.545 0.000 1.277 318 G CA 0.092 44.168 45.100 -1.706 0.000 0.910 318 G HN -0.317 7.487 8.290 -0.651 0.095 0.576 319 S N 0.474 116.025 115.700 -0.247 0.000 2.327 319 S HA 0.247 nan 4.470 nan 0.000 0.203 319 S C 0.127 174.858 174.600 0.218 0.000 1.326 319 S CA -1.348 56.868 58.200 0.028 0.000 1.248 319 S CB 0.694 63.838 63.200 -0.094 0.000 1.199 319 S HN 0.103 8.257 8.310 -0.261 0.000 0.422 320 L N 5.668 127.041 121.223 0.249 0.000 2.081 320 L HA -0.422 nan 4.340 nan 0.000 0.212 320 L C 0.235 177.488 176.870 0.639 0.000 1.080 320 L CA 3.448 58.605 54.840 0.529 0.000 0.754 320 L CB -0.280 42.067 42.059 0.480 0.000 0.893 320 L HN 0.298 8.604 8.230 0.126 0.000 0.433 321 H N -0.523 118.811 119.070 0.440 0.000 2.253 321 H HA -0.433 nan 4.556 nan 0.000 0.296 321 H C 1.949 177.373 175.328 0.160 0.000 1.074 321 H CA 4.331 60.668 56.048 0.482 0.000 1.263 321 H CB -0.282 29.723 29.762 0.405 0.000 1.363 321 H HN -0.450 8.086 8.280 0.471 0.026 0.489 322 N N -0.240 118.216 118.700 -0.406 0.000 2.084 322 N HA -0.340 nan 4.740 nan 0.000 0.190 322 N C 2.172 177.327 175.510 -0.592 0.000 1.030 322 N CA 2.648 55.255 53.050 -0.739 0.000 0.849 322 N CB -0.632 37.629 38.487 -0.375 0.000 1.012 322 N HN -0.406 7.987 8.380 0.022 0.000 0.423 323 W N -0.972 120.233 121.300 -0.158 0.000 2.335 323 W HA -0.303 nan 4.660 nan 0.000 0.311 323 W C 1.898 178.293 176.519 -0.206 0.000 1.213 323 W CA 3.004 60.316 57.345 -0.056 0.000 1.274 323 W CB -0.093 29.486 29.460 0.199 0.000 1.148 323 W HN 0.350 8.508 8.180 -0.036 0.000 0.498 324 G N -3.274 105.409 108.800 -0.196 0.000 2.469 324 G HA2 -0.462 nan 3.960 nan 0.000 0.220 324 G HA3 -0.462 nan 3.960 nan 0.000 0.220 324 G C 1.134 175.491 174.900 -0.905 0.000 1.136 324 G CA 2.197 46.726 45.100 -0.951 0.000 0.759 324 G HN 0.178 8.483 8.290 0.025 0.000 0.562 325 H N 1.598 120.112 119.070 -0.925 0.000 2.353 325 H HA -0.291 nan 4.556 nan 0.000 0.300 325 H C 2.401 177.492 175.328 -0.395 0.000 1.090 325 H CA 3.570 59.167 56.048 -0.751 0.000 1.327 325 H CB 0.252 29.277 29.762 -1.228 0.000 1.383 325 H HN -0.611 7.128 8.280 -0.693 0.125 0.508 326 V N -1.454 118.382 119.914 -0.130 0.000 2.220 326 V HA -0.489 nan 4.120 nan 0.000 0.246 326 V C 2.059 178.172 176.094 0.031 0.000 1.049 326 V CA 3.852 66.181 62.300 0.049 0.000 1.003 326 V CB -0.849 31.079 31.823 0.175 0.000 0.634 326 V HN -0.330 7.648 8.190 -0.185 0.101 0.444 327 M N -2.622 116.995 119.600 0.030 0.000 2.144 327 M HA -0.413 nan 4.480 nan 0.000 0.260 327 M C 2.092 178.375 176.300 -0.029 0.000 1.067 327 M CA 3.496 58.818 55.300 0.037 0.000 1.095 327 M CB -0.254 32.393 32.600 0.078 0.000 1.365 327 M HN -0.756 7.573 8.290 0.064 0.000 0.406 328 M N -3.259 116.236 119.600 -0.175 0.000 2.562 328 M HA -0.092 nan 4.480 nan 0.000 0.257 328 M C 0.687 176.930 176.300 -0.095 0.000 1.099 328 M CA 2.352 57.531 55.300 -0.203 0.000 1.099 328 M CB 0.388 32.741 32.600 -0.411 0.000 1.427 328 M HN -0.072 8.054 8.290 -0.273 0.000 0.489 329 A N -1.549 121.242 122.820 -0.047 0.000 2.055 329 A HA 0.120 nan 4.320 nan 0.000 0.205 329 A C 0.231 177.844 177.584 0.048 0.000 1.235 329 A CA 1.895 53.943 52.037 0.018 0.000 0.822 329 A CB 0.829 19.863 19.000 0.057 0.000 0.903 329 A HN 0.106 8.041 8.150 -0.050 0.185 0.473 330 N N -1.300 117.428 118.700 0.048 0.000 2.346 330 N HA -0.058 nan 4.740 nan 0.000 0.225 330 N C 1.396 176.944 175.510 0.064 0.000 1.144 330 N CA -0.403 52.682 53.050 0.058 0.000 0.837 330 N CB -0.961 37.557 38.487 0.052 0.000 1.069 330 N HN 0.288 8.694 8.380 0.043 0.000 0.487 331 I N -1.480 119.126 120.570 0.061 0.000 2.850 331 I HA -0.239 nan 4.170 nan 0.000 0.266 331 I C 0.272 176.401 176.117 0.019 0.000 1.257 331 I CA 1.693 63.045 61.300 0.087 0.000 1.465 331 I CB -0.136 37.922 38.000 0.096 0.000 1.091 331 I HN -0.172 7.942 8.210 0.049 0.126 0.467 332 T N -0.531 114.016 114.554 -0.011 0.000 3.009 332 T HA -0.060 nan 4.350 nan 0.000 0.258 332 T C -1.143 173.570 174.700 0.021 0.000 1.063 332 T CA 1.246 63.315 62.100 -0.052 0.000 1.139 332 T CB 0.742 69.595 68.868 -0.025 0.000 0.890 332 T HN 0.019 8.214 8.240 0.021 0.058 0.471 333 D N -1.502 118.934 120.400 0.059 0.000 3.117 333 D HA 0.421 nan 4.640 nan 0.000 0.241 333 D C -2.149 174.221 176.300 0.117 0.000 1.385 333 D CA -1.438 52.629 54.000 0.111 0.000 0.855 333 D CB 0.763 41.708 40.800 0.243 0.000 1.498 333 D HN -0.316 7.901 8.370 0.046 0.181 0.584 334 P HA -0.139 nan 4.420 nan 0.000 0.215 334 P C 0.837 178.191 177.300 0.092 0.000 1.157 334 P CA 1.790 64.941 63.100 0.084 0.000 0.856 334 P CB 0.131 31.885 31.700 0.090 0.000 0.786 335 D N -2.060 118.363 120.400 0.039 0.000 2.190 335 D HA -0.260 nan 4.640 nan 0.000 0.200 335 D C 0.532 176.856 176.300 0.041 0.000 0.992 335 D CA 2.010 56.014 54.000 0.007 0.000 0.854 335 D CB -0.159 40.595 40.800 -0.077 0.000 0.936 335 D HN 0.165 8.537 8.370 0.005 0.000 0.462 336 H N -4.002 115.014 119.070 -0.091 0.000 3.415 336 H HA -0.348 nan 4.556 nan 0.000 0.213 336 H C 0.654 175.932 175.328 -0.083 0.000 1.091 336 H CA 1.133 57.145 56.048 -0.060 0.000 1.182 336 H CB -1.100 28.643 29.762 -0.032 0.000 1.160 336 H HN -0.316 8.175 8.280 0.046 -0.183 0.319 337 R N -1.323 119.022 120.500 -0.259 0.000 2.153 337 R HA -0.355 nan 4.340 nan 0.000 0.252 337 R C 0.452 176.611 176.300 -0.235 0.000 1.158 337 R CA 2.894 58.805 56.100 -0.314 0.000 0.975 337 R CB -1.081 28.928 30.300 -0.485 0.000 0.871 337 R HN -0.377 7.810 8.270 -0.221 -0.050 0.450 338 F N -4.045 115.785 119.950 -0.199 0.000 2.664 338 F HA 0.069 nan 4.527 nan 0.000 0.296 338 F C -0.445 175.200 175.800 -0.259 0.000 1.125 338 F CA -1.296 56.596 58.000 -0.180 0.000 1.444 338 F CB -0.238 38.693 39.000 -0.115 0.000 1.114 338 F HN -0.531 7.794 8.300 -0.317 -0.216 0.576 339 Q N -4.897 114.671 119.800 -0.386 0.000 2.452 339 Q HA -0.370 nan 4.340 nan 0.000 0.248 339 Q C -0.612 175.358 176.000 -0.050 0.000 0.874 339 Q CA 1.014 56.590 55.803 -0.379 0.000 1.208 339 Q CB -1.919 26.726 28.738 -0.155 0.000 1.569 339 Q HN -0.478 7.332 8.270 -0.731 0.021 0.579 340 E N -0.737 119.491 120.200 0.048 0.000 2.415 340 E HA -0.130 nan 4.350 nan 0.000 0.263 340 E C -0.895 175.794 176.600 0.148 0.000 0.995 340 E CA 0.307 56.760 56.400 0.089 0.000 0.915 340 E CB 0.610 30.363 29.700 0.087 0.000 0.951 340 E HN -0.460 7.877 8.360 0.042 0.048 0.449 341 N N 5.462 124.184 118.700 0.037 0.000 2.434 341 N HA 0.131 nan 4.740 nan 0.000 0.268 341 N C -2.015 173.498 175.510 0.005 0.000 1.256 341 N CA -1.532 51.495 53.050 -0.038 0.000 0.914 341 N CB -0.536 37.821 38.487 -0.218 0.000 1.088 341 N HN 0.177 8.556 8.380 -0.001 0.000 0.478 342 P HA -0.075 nan 4.420 nan 0.000 0.271 342 P C -0.422 176.993 177.300 0.193 0.000 1.238 342 P CA -0.015 63.143 63.100 0.096 0.000 0.794 342 P CB 0.661 32.398 31.700 0.062 0.000 0.959 343 G N -1.040 107.852 108.800 0.153 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 1.067 176.070 174.900 0.171 0.000 1.291 343 G CA -0.689 44.505 45.100 0.158 0.000 0.863 343 G HN 0.077 8.431 8.290 0.107 0.000 0.560 344 V N -1.619 118.352 119.914 0.094 0.000 3.099 344 V HA -0.457 nan 4.120 nan 0.000 0.269 344 V C 1.142 177.254 176.094 0.031 0.000 1.150 344 V CA 1.995 64.268 62.300 -0.044 0.000 1.165 344 V CB -0.799 30.893 31.823 -0.217 0.000 0.756 344 V HN 0.571 8.810 8.190 0.083 0.000 0.527 345 M N 0.082 119.739 119.600 0.097 0.000 2.562 345 M HA -0.158 nan 4.480 nan 0.000 0.257 345 M C 1.534 178.091 176.300 0.429 0.000 1.099 345 M CA 1.111 56.529 55.300 0.196 0.000 1.099 345 M CB -1.012 31.598 32.600 0.017 0.000 1.427 345 M HN -0.262 7.979 8.290 0.083 0.099 0.489 346 S N -0.079 115.817 115.700 0.328 0.000 2.481 346 S HA -0.217 nan 4.470 nan 0.000 0.231 346 S C -0.806 173.905 174.600 0.186 0.000 0.996 346 S CA 3.122 61.540 58.200 0.363 0.000 0.942 346 S CB -0.049 63.250 63.200 0.165 0.000 0.768 346 S HN -0.312 8.075 8.310 0.228 0.060 0.520 347 D N -2.961 117.568 120.400 0.215 0.000 2.490 347 D HA 0.231 nan 4.640 nan 0.000 0.232 347 D C -0.328 176.151 176.300 0.299 0.000 1.053 347 D CA -1.499 52.586 54.000 0.143 0.000 0.914 347 D CB 3.091 43.991 40.800 0.166 0.000 1.431 347 D HN -0.907 7.561 8.370 0.262 0.058 0.483 348 T N 1.235 116.010 114.554 0.369 0.000 3.035 348 T HA 0.070 nan 4.350 nan 0.000 0.259 348 T C 1.614 176.627 174.700 0.522 0.000 1.078 348 T CA 2.461 64.903 62.100 0.570 0.000 1.132 348 T CB -0.204 68.981 68.868 0.528 0.000 0.900 348 T HN 0.238 8.688 8.240 0.350 0.000 0.480 349 S N 0.941 116.883 115.700 0.403 0.000 2.406 349 S HA -0.132 nan 4.470 nan 0.000 0.228 349 S C 1.283 175.726 174.600 -0.262 0.000 1.020 349 S CA 3.141 61.396 58.200 0.092 0.000 0.965 349 S CB -0.080 63.109 63.200 -0.018 0.000 0.798 349 S HN -0.362 8.667 8.310 0.511 -0.412 0.488 350 T N -1.611 112.809 114.554 -0.224 0.000 2.939 350 T HA 0.223 nan 4.350 nan 0.000 0.254 350 T C 2.208 176.689 174.700 -0.364 0.000 1.041 350 T CA 2.323 64.208 62.100 -0.358 0.000 1.142 350 T CB 0.029 68.663 68.868 -0.390 0.000 0.874 350 T HN -0.413 8.029 8.240 -0.068 -0.243 0.452 351 S N 4.125 119.659 115.700 -0.277 0.000 2.570 351 S HA -0.478 nan 4.470 nan 0.000 0.300 351 S C 1.467 175.461 174.600 -1.011 0.000 1.224 351 S CA 3.165 61.102 58.200 -0.439 0.000 1.103 351 S CB -1.258 61.859 63.200 -0.139 0.000 1.009 351 S HN -0.015 8.230 8.310 -0.108 0.000 0.458 352 L N -0.105 120.466 121.223 -1.088 0.000 2.567 352 L HA 0.105 nan 4.340 nan 0.000 0.225 352 L C 1.354 177.873 176.870 -0.584 0.000 1.119 352 L CA 1.139 55.243 54.840 -1.227 0.000 0.871 352 L CB -0.248 41.242 42.059 -0.948 0.000 1.036 352 L HN -0.670 7.037 8.230 -0.791 0.048 0.459 353 R N -0.358 119.879 120.500 -0.439 0.000 2.062 353 R HA -0.239 nan 4.340 nan 0.000 0.229 353 R C 0.037 175.998 176.300 -0.564 0.000 1.128 353 R CA 2.399 58.324 56.100 -0.292 0.000 0.960 353 R CB -0.502 29.753 30.300 -0.074 0.000 0.855 353 R HN -0.734 7.209 8.270 -0.467 0.047 0.432 354 D N 1.124 121.162 120.400 -0.604 0.000 2.382 354 D HA 0.208 nan 4.640 nan 0.000 0.259 354 D C -0.769 175.325 176.300 -0.343 0.000 1.224 354 D CA -2.568 51.016 54.000 -0.694 0.000 0.894 354 D CB 0.338 40.991 40.800 -0.245 0.000 1.127 354 D HN -0.556 7.559 8.370 -0.426 0.000 0.487 355 P HA -0.187 nan 4.420 nan 0.000 0.217 355 P C 0.780 178.160 177.300 0.134 0.000 1.148 355 P CA 2.208 65.331 63.100 0.038 0.000 0.828 355 P CB -0.014 31.711 31.700 0.041 0.000 0.783 356 I N -5.316 115.278 120.570 0.039 0.000 2.567 356 I HA -0.405 nan 4.170 nan 0.000 0.257 356 I C 1.008 177.119 176.117 -0.009 0.000 1.184 356 I CA 2.314 63.633 61.300 0.032 0.000 1.451 356 I CB -0.746 37.237 38.000 -0.028 0.000 1.089 356 I HN -0.860 7.321 8.210 -0.013 0.022 0.441 357 F N 2.240 122.014 119.950 -0.293 0.000 2.085 357 F HA -0.593 nan 4.527 nan 0.000 0.299 357 F C 0.645 176.074 175.800 -0.619 0.000 1.096 357 F CA 4.579 62.239 58.000 -0.567 0.000 1.227 357 F CB 0.036 38.502 39.000 -0.889 0.000 0.983 357 F HN -0.361 7.802 8.300 -0.013 0.129 0.482 358 Y N -5.270 114.927 120.300 -0.173 0.000 2.395 358 Y HA -0.343 nan 4.550 nan 0.000 0.293 358 Y C 1.892 177.810 175.900 0.029 0.000 1.123 358 Y CA 3.042 61.047 58.100 -0.158 0.000 1.227 358 Y CB -0.628 37.744 38.460 -0.148 0.000 1.012 358 Y HN -0.690 7.510 8.280 -0.108 0.015 0.552 359 R N 0.836 121.453 120.500 0.195 0.000 2.073 359 R HA -0.395 nan 4.340 nan 0.000 0.234 359 R C 2.178 178.624 176.300 0.244 0.000 1.134 359 R CA 3.645 59.877 56.100 0.220 0.000 0.952 359 R CB -0.391 30.035 30.300 0.211 0.000 0.850 359 R HN -0.347 7.863 8.270 0.154 0.152 0.433 360 W N -1.577 119.752 121.300 0.049 0.000 2.425 360 W HA -0.204 nan 4.660 nan 0.000 0.277 360 W C 0.778 177.450 176.519 0.256 0.000 1.231 360 W CA 3.642 61.069 57.345 0.136 0.000 1.248 360 W CB 0.216 29.649 29.460 -0.046 0.000 1.117 360 W HN -0.265 8.055 8.180 0.233 0.000 0.568 361 H N -1.761 117.301 119.070 -0.013 0.000 2.525 361 H HA 0.039 nan 4.556 nan 0.000 0.275 361 H C 2.892 178.239 175.328 0.031 0.000 0.984 361 H CA 2.856 58.879 56.048 -0.042 0.000 1.264 361 H CB 0.097 29.739 29.762 -0.200 0.000 1.432 361 H HN -0.583 7.684 8.280 0.298 0.191 0.549 362 R N -0.014 120.606 120.500 0.200 0.000 2.115 362 R HA -0.188 nan 4.340 nan 0.000 0.226 362 R C 1.691 178.063 176.300 0.120 0.000 1.100 362 R CA 1.861 58.061 56.100 0.166 0.000 0.980 362 R CB -0.884 29.524 30.300 0.179 0.000 0.875 362 R HN 0.268 8.671 8.270 0.222 0.000 0.445 363 F N 1.886 121.758 119.950 -0.130 0.000 2.051 363 F HA -0.298 nan 4.527 nan 0.000 0.296 363 F C 1.584 177.201 175.800 -0.305 0.000 1.122 363 F CA 2.737 60.565 58.000 -0.288 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 -4.745 115.519 120.570 -0.510 0.000 2.208 364 I HA -0.613 nan 4.170 nan 0.000 0.245 364 I C 1.319 177.362 176.117 -0.125 0.000 1.097 364 I CA 3.689 64.721 61.300 -0.447 0.000 1.363 364 I CB -0.738 37.150 38.000 -0.187 0.000 1.051 364 I HN -0.075 7.861 8.210 -0.456 0.000 0.413 365 D N 0.203 120.664 120.400 0.102 0.000 2.149 365 D HA -0.380 nan 4.640 nan 0.000 0.198 365 D C 2.062 178.436 176.300 0.123 0.000 0.990 365 D CA 3.708 57.881 54.000 0.289 0.000 0.839 365 D CB -0.145 40.804 40.800 0.248 0.000 0.948 365 D HN -0.428 7.971 8.370 0.048 0.000 0.460 366 N N -0.946 117.746 118.700 -0.014 0.000 2.166 366 N HA -0.250 nan 4.740 nan 0.000 0.186 366 N C 2.596 178.013 175.510 -0.156 0.000 1.019 366 N CA 3.180 56.202 53.050 -0.047 0.000 0.856 366 N CB -0.118 38.373 38.487 0.006 0.000 0.993 366 N HN 0.059 8.183 8.380 -0.047 0.229 0.426 367 I N 0.349 120.720 120.570 -0.331 0.000 2.142 367 I HA -0.522 nan 4.170 nan 0.000 0.240 367 I C 1.635 177.536 176.117 -0.361 0.000 1.078 367 I CA 4.224 65.272 61.300 -0.420 0.000 1.343 367 I CB -0.171 37.446 38.000 -0.638 0.000 1.046 367 I HN -0.570 7.282 8.210 -0.415 0.109 0.405 368 F N -1.239 118.538 119.950 -0.287 0.000 2.161 368 F HA -0.456 nan 4.527 nan 0.000 0.300 368 F C 2.301 177.849 175.800 -0.420 0.000 1.089 368 F CA 4.068 61.812 58.000 -0.428 0.000 1.282 368 F CB -0.987 37.565 39.000 -0.746 0.000 1.010 368 F HN -0.359 7.740 8.300 -0.335 0.000 0.485 369 Q N -2.248 117.500 119.800 -0.087 0.000 2.124 369 Q HA -0.357 nan 4.340 nan 0.000 0.202 369 Q C 2.877 178.800 176.000 -0.128 0.000 0.977 369 Q CA 3.191 58.948 55.803 -0.076 0.000 0.850 369 Q CB -0.829 27.910 28.738 0.001 0.000 0.901 369 Q HN 0.635 8.772 8.270 -0.019 0.122 0.429 370 E N -0.019 120.094 120.200 -0.145 0.000 2.110 370 E HA -0.391 nan 4.350 nan 0.000 0.193 370 E C 2.318 178.785 176.600 -0.223 0.000 0.988 370 E CA 3.024 59.326 56.400 -0.164 0.000 0.804 370 E CB -0.288 29.315 29.700 -0.162 0.000 0.745 370 E HN -0.174 8.007 8.360 -0.145 0.092 0.458 371 H N 0.533 119.372 119.070 -0.385 0.000 2.357 371 H HA -0.169 nan 4.556 nan 0.000 0.301 371 H C 2.433 177.184 175.328 -0.962 0.000 1.082 371 H CA 2.730 58.435 56.048 -0.571 0.000 1.342 371 H CB 0.065 29.566 29.762 -0.435 0.000 1.389 371 H HN -0.525 7.552 8.280 -0.165 0.104 0.511 372 K N -1.998 117.989 120.400 -0.689 0.000 2.097 372 K HA -0.314 nan 4.320 nan 0.000 0.206 372 K C 2.525 178.899 176.600 -0.376 0.000 1.049 372 K CA 2.066 58.048 56.287 -0.508 0.000 0.933 372 K CB -0.531 31.879 32.500 -0.149 0.000 0.717 372 K HN -0.070 7.938 8.250 -0.403 0.000 0.442 373 K N -1.707 118.519 120.400 -0.290 0.000 2.097 373 K HA -0.183 nan 4.320 nan 0.000 0.206 373 K C 2.325 178.793 176.600 -0.219 0.000 1.049 373 K CA 2.435 58.605 56.287 -0.195 0.000 0.933 373 K CB 0.202 32.618 32.500 -0.139 0.000 0.717 373 K HN -0.104 7.793 8.250 -0.274 0.188 0.442 374 S N -2.150 113.381 115.700 -0.282 0.000 2.453 374 S HA -0.142 nan 4.470 nan 0.000 0.231 374 S C 0.598 175.086 174.600 -0.187 0.000 1.005 374 S CA 1.986 60.082 58.200 -0.174 0.000 0.949 374 S CB 0.409 63.620 63.200 0.019 0.000 0.774 374 S HN -0.368 7.735 8.310 -0.345 0.000 0.510 375 F N 2.759 122.582 119.950 -0.213 0.000 2.496 375 F HA -0.020 nan 4.527 nan 0.000 0.344 375 F C -0.020 175.578 175.800 -0.337 0.000 1.155 375 F CA -0.139 57.712 58.000 -0.249 0.000 1.302 375 F CB -0.071 38.811 39.000 -0.196 0.000 1.159 375 F HN -0.821 7.002 8.300 -0.665 0.078 0.595 376 H N 1.149 120.262 119.070 0.071 0.000 2.511 376 H HA 0.148 nan 4.556 nan 0.000 0.346 376 H C -1.433 173.797 175.328 -0.165 0.000 1.128 376 H CA -0.995 55.032 56.048 -0.035 0.000 1.342 376 H CB -0.066 29.679 29.762 -0.028 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 -1.227 175.971 177.300 -0.170 0.000 1.228 377 P CA 0.672 63.706 63.100 -0.109 0.000 0.797 377 P CB 0.426 32.148 31.700 0.038 0.000 0.914 378 Y N -0.595 119.788 120.300 0.138 0.000 2.327 378 Y HA -0.018 nan 4.550 nan 0.000 0.336 378 Y C 0.300 176.229 175.900 0.048 0.000 1.035 378 Y CA 0.357 58.511 58.100 0.090 0.000 1.165 378 Y CB 0.346 38.834 38.460 0.047 0.000 1.181 378 Y HN 0.240 8.616 8.280 0.160 0.000 0.494 379 T N 4.898 119.583 114.554 0.219 0.000 2.932 379 T HA 0.051 nan 4.350 nan 0.000 0.312 379 T C 1.087 175.824 174.700 0.061 0.000 1.071 379 T CA -0.032 62.133 62.100 0.110 0.000 1.128 379 T CB 0.538 69.456 68.868 0.083 0.000 0.984 379 T HN 0.320 8.709 8.240 0.249 0.000 0.549 380 K N 3.636 124.043 120.400 0.013 0.000 2.103 380 K HA -0.461 nan 4.320 nan 0.000 0.207 380 K C 2.107 178.693 176.600 -0.023 0.000 1.048 380 K CA 3.529 59.794 56.287 -0.037 0.000 0.930 380 K CB -0.033 32.450 32.500 -0.027 0.000 0.716 380 K HN 0.370 8.635 8.250 0.025 0.000 0.444 381 E N -0.626 119.578 120.200 0.005 0.000 2.035 381 E HA -0.302 nan 4.350 nan 0.000 0.204 381 E C 2.383 178.994 176.600 0.019 0.000 1.025 381 E CA 3.240 59.649 56.400 0.014 0.000 0.835 381 E CB -0.381 29.332 29.700 0.022 0.000 0.764 381 E HN -0.087 8.278 8.360 0.013 0.002 0.457 382 E N -1.401 118.823 120.200 0.040 0.000 2.085 382 E HA -0.265 nan 4.350 nan 0.000 0.194 382 E C 1.112 177.716 176.600 0.007 0.000 0.994 382 E CA 2.257 58.688 56.400 0.051 0.000 0.801 382 E CB -0.749 29.041 29.700 0.149 0.000 0.743 382 E HN 0.135 8.528 8.360 0.056 0.000 0.453 383 L N -4.529 116.657 121.223 -0.061 0.000 2.465 383 L HA -0.088 nan 4.340 nan 0.000 0.224 383 L C 0.056 176.870 176.870 -0.093 0.000 1.145 383 L CA 0.971 55.706 54.840 -0.175 0.000 0.834 383 L CB 0.244 42.100 42.059 -0.338 0.000 0.944 383 L HN -0.410 7.702 8.230 -0.038 0.095 0.451 384 S N -1.173 114.516 115.700 -0.019 0.000 2.420 384 S HA 0.105 nan 4.470 nan 0.000 0.313 384 S C -1.266 173.416 174.600 0.137 0.000 1.079 384 S CA -0.694 57.529 58.200 0.039 0.000 1.104 384 S CB 0.420 63.629 63.200 0.014 0.000 0.969 384 S HN -0.476 7.643 8.310 -0.014 0.183 0.471 385 F N 8.407 128.341 119.950 -0.028 0.000 2.487 385 F HA 0.183 nan 4.527 nan 0.000 0.364 385 F C -2.045 173.750 175.800 -0.008 0.000 1.126 385 F CA -3.341 54.653 58.000 -0.010 0.000 1.135 385 F CB 0.240 39.239 39.000 -0.001 0.000 1.127 385 F HN 0.183 8.919 8.300 0.242 -0.290 0.559 386 P HA 0.026 nan 4.420 nan 0.000 0.267 386 P C -0.433 176.738 177.300 -0.216 0.000 1.205 386 P CA 0.458 63.512 63.100 -0.078 0.000 0.765 386 P CB 0.119 31.796 31.700 -0.037 0.000 0.828 387 G N 2.196 110.902 108.800 -0.156 0.000 2.336 387 G HA2 -0.369 nan 3.960 nan 0.000 0.233 387 G HA3 -0.369 nan 3.960 nan 0.000 0.233 387 G C -1.046 173.743 174.900 -0.186 0.000 1.053 387 G CA 0.383 45.386 45.100 -0.162 0.000 0.625 387 G HN 0.367 8.597 8.290 -0.100 0.000 0.511 388 V N 2.885 122.623 119.914 -0.294 0.000 2.455 388 V HA 0.007 nan 4.120 nan 0.000 0.273 388 V C -1.058 174.993 176.094 -0.072 0.000 1.045 388 V CA -0.151 62.018 62.300 -0.219 0.000 0.976 388 V CB -0.212 31.374 31.823 -0.395 0.000 0.993 388 V HN -0.714 7.146 8.190 -0.418 0.079 0.475 389 E N 8.046 128.230 120.200 -0.027 0.000 2.129 389 E HA 0.251 nan 4.350 nan 0.000 0.268 389 E C -0.257 176.365 176.600 0.038 0.000 0.900 389 E CA -1.698 54.708 56.400 0.010 0.000 0.755 389 E CB 2.802 32.504 29.700 0.003 0.000 1.117 389 E HN 0.231 8.442 8.360 -0.034 0.129 0.410 390 V N 9.060 129.011 119.914 0.063 0.000 2.415 390 V HA -0.164 nan 4.120 nan 0.000 0.252 390 V C 0.063 176.194 176.094 0.062 0.000 1.043 390 V CA 1.703 64.049 62.300 0.076 0.000 1.149 390 V CB -1.850 30.034 31.823 0.102 0.000 1.143 390 V HN 0.751 8.982 8.190 0.069 0.000 0.478 391 V N 7.452 127.398 119.914 0.053 0.000 3.305 391 V HA -0.049 nan 4.120 nan 0.000 0.269 391 V C 0.310 176.433 176.094 0.049 0.000 1.157 391 V CA 0.605 62.931 62.300 0.043 0.000 1.157 391 V CB -0.393 31.451 31.823 0.035 0.000 0.772 391 V HN 0.546 8.672 8.190 0.053 0.096 0.498 392 G N -3.362 105.477 108.800 0.064 0.000 2.361 392 G HA2 -0.117 nan 3.960 nan 0.000 0.305 392 G HA3 -0.117 nan 3.960 nan 0.000 0.305 392 G C -3.094 171.862 174.900 0.093 0.000 1.367 392 G CA 0.162 45.305 45.100 0.071 0.000 0.951 392 G HN -0.703 7.602 8.290 0.070 0.027 0.615 393 V N -1.791 118.188 119.914 0.108 0.000 3.160 393 V HA 0.818 nan 4.120 nan 0.000 0.310 393 V C -1.155 175.012 176.094 0.123 0.000 1.181 393 V CA -2.007 60.379 62.300 0.144 0.000 1.047 393 V CB 3.641 35.592 31.823 0.214 0.000 1.068 393 V HN 0.296 8.543 8.190 0.096 0.000 0.441 394 S N 0.021 115.798 115.700 0.128 0.000 2.552 394 S HA 0.511 nan 4.470 nan 0.000 0.272 394 S C -2.132 172.520 174.600 0.087 0.000 1.150 394 S CA 0.465 58.723 58.200 0.096 0.000 0.849 394 S CB 3.743 66.981 63.200 0.064 0.000 1.113 394 S HN -0.199 8.199 8.310 0.146 0.000 0.458 395 I N -1.842 118.773 120.570 0.075 0.000 2.404 395 I HA 0.633 nan 4.170 nan 0.000 0.293 395 I C -2.094 174.058 176.117 0.059 0.000 0.992 395 I CA -1.986 59.355 61.300 0.068 0.000 1.149 395 I CB 1.758 39.853 38.000 0.158 0.000 1.315 395 I HN 0.623 9.222 8.210 0.072 -0.346 0.446 396 N N 7.797 126.526 118.700 0.048 0.000 2.558 396 N HA 0.363 nan 4.740 nan 0.000 0.242 396 N C -0.513 175.037 175.510 0.066 0.000 0.979 396 N CA -0.338 52.736 53.050 0.041 0.000 0.931 396 N CB 1.040 39.540 38.487 0.021 0.000 1.122 396 N HN -0.139 8.255 8.380 0.022 0.000 0.508 397 S N 6.192 121.927 115.700 0.059 0.000 3.320 397 S HA 0.110 nan 4.470 nan 0.000 0.185 397 S C 0.186 174.803 174.600 0.028 0.000 1.028 397 S CA 1.170 59.406 58.200 0.059 0.000 1.641 397 S CB 0.576 63.783 63.200 0.011 0.000 0.630 397 S HN 0.403 8.734 8.310 0.036 0.000 0.555 398 K N 1.657 122.060 120.400 0.005 0.000 2.148 398 K HA -0.127 nan 4.320 nan 0.000 0.204 398 K C -0.529 176.069 176.600 -0.004 0.000 1.050 398 K CA 1.681 57.965 56.287 -0.006 0.000 0.942 398 K CB 0.468 32.954 32.500 -0.022 0.000 0.724 398 K HN -0.192 8.465 8.250 -0.003 -0.408 0.446 399 T N -0.761 113.791 114.554 -0.004 0.000 2.831 399 T HA 0.227 nan 4.350 nan 0.000 0.287 399 T C -2.262 172.441 174.700 0.005 0.000 1.070 399 T CA -1.886 60.213 62.100 -0.002 0.000 1.010 399 T CB 3.282 72.145 68.868 -0.008 0.000 1.264 399 T HN -0.695 7.522 8.240 -0.007 0.019 0.532 400 A N -0.273 122.552 122.820 0.008 0.000 2.407 400 A HA 0.105 nan 4.320 nan 0.000 0.248 400 A C 0.140 177.731 177.584 0.011 0.000 1.082 400 A CA 0.463 52.508 52.037 0.014 0.000 0.785 400 A CB 0.019 19.029 19.000 0.017 0.000 1.020 400 A HN 0.110 8.264 8.150 0.006 0.000 0.489 401 N N -1.938 116.772 118.700 0.018 0.000 2.678 401 N HA -0.353 nan 4.740 nan 0.000 0.249 401 N C -1.257 174.251 175.510 -0.003 0.000 1.119 401 N CA 1.418 54.478 53.050 0.016 0.000 0.718 401 N CB -1.584 36.919 38.487 0.028 0.000 1.060 401 N HN 0.080 8.477 8.380 0.028 0.000 0.552 402 V N -9.448 110.451 119.914 -0.025 0.000 2.769 402 V HA 0.767 nan 4.120 nan 0.000 0.312 402 V C -2.319 173.712 176.094 -0.106 0.000 1.061 402 V CA -2.648 59.622 62.300 -0.049 0.000 0.931 402 V CB 3.615 35.417 31.823 -0.035 0.000 1.010 402 V HN -0.929 7.185 8.190 -0.020 0.065 0.433 403 I N 1.506 121.974 120.570 -0.169 0.000 2.693 403 I HA 0.445 nan 4.170 nan 0.000 0.303 403 I C -1.999 174.037 176.117 -0.134 0.000 1.025 403 I CA -2.114 59.051 61.300 -0.226 0.000 1.086 403 I CB 3.500 41.210 38.000 -0.483 0.000 1.268 403 I HN 0.556 8.566 8.210 -0.159 0.104 0.440 404 T N 7.449 121.950 114.554 -0.087 0.000 2.809 404 T HA 0.448 nan 4.350 nan 0.000 0.284 404 T C -1.248 173.447 174.700 -0.009 0.000 0.992 404 T CA -0.622 61.452 62.100 -0.043 0.000 0.957 404 T CB 1.575 70.414 68.868 -0.047 0.000 0.942 404 T HN 0.166 8.355 8.240 -0.084 0.000 0.439 405 T N 7.726 122.300 114.554 0.033 0.000 2.918 405 T HA 0.664 nan 4.350 nan 0.000 0.283 405 T C -1.762 172.971 174.700 0.056 0.000 1.001 405 T CA -1.935 60.230 62.100 0.108 0.000 1.041 405 T CB 1.099 70.083 68.868 0.193 0.000 1.028 405 T HN 0.629 8.891 8.240 0.037 0.000 0.511 406 L N 1.276 122.558 121.223 0.098 0.000 2.301 406 L HA 0.647 nan 4.340 nan 0.000 0.249 406 L C -1.474 175.496 176.870 0.167 0.000 1.069 406 L CA -1.293 53.553 54.840 0.010 0.000 0.865 406 L CB 3.797 45.859 42.059 0.005 0.000 1.467 406 L HN -0.288 7.944 8.230 0.183 0.108 0.419 407 I N -0.492 120.136 120.570 0.098 0.000 2.392 407 I HA 0.419 nan 4.170 nan 0.000 0.295 407 I C -1.807 174.304 176.117 -0.011 0.000 0.985 407 I CA -2.115 59.272 61.300 0.145 0.000 1.221 407 I CB 1.379 39.500 38.000 0.202 0.000 1.366 407 I HN 0.216 8.422 8.210 -0.006 0.000 0.467 408 K N 8.793 129.073 120.400 -0.200 0.000 2.545 408 K HA 0.390 nan 4.320 nan 0.000 0.252 408 K C -1.323 174.959 176.600 -0.531 0.000 0.948 408 K CA -1.656 54.402 56.287 -0.381 0.000 0.827 408 K CB 2.587 34.794 32.500 -0.488 0.000 1.128 408 K HN 0.840 8.836 8.250 -0.243 0.108 0.429 409 E N 5.624 125.631 120.200 -0.323 0.000 2.398 409 E HA 0.089 nan 4.350 nan 0.000 0.263 409 E C -1.048 175.229 176.600 -0.538 0.000 1.046 409 E CA 0.549 56.666 56.400 -0.472 0.000 0.908 409 E CB 0.404 29.887 29.700 -0.362 0.000 0.963 409 E HN 0.390 8.637 8.360 -0.189 0.000 0.431 410 S N 1.728 116.982 115.700 -0.744 0.000 2.727 410 S HA 0.381 nan 4.470 nan 0.000 0.278 410 S C -2.066 172.087 174.600 -0.745 0.000 1.186 410 S CA -0.958 56.807 58.200 -0.726 0.000 0.836 410 S CB 2.696 65.418 63.200 -0.797 0.000 1.186 410 S HN 0.420 8.221 8.310 -0.849 0.000 0.499 411 L N -0.448 120.543 121.223 -0.388 0.000 2.309 411 L HA 0.599 nan 4.340 nan 0.000 0.261 411 L C -2.149 174.829 176.870 0.180 0.000 1.021 411 L CA -1.045 53.742 54.840 -0.090 0.000 0.823 411 L CB 3.321 45.346 42.059 -0.057 0.000 1.366 411 L HN 0.419 8.478 8.230 -0.285 0.000 0.423 412 L N -0.580 120.752 121.223 0.183 0.000 2.543 412 L HA 0.264 nan 4.340 nan 0.000 0.265 412 L C -2.260 174.662 176.870 0.087 0.000 0.945 412 L CA 0.141 55.069 54.840 0.146 0.000 0.869 412 L CB 3.581 45.732 42.059 0.154 0.000 1.294 412 L HN -0.175 8.133 8.230 0.131 0.000 0.405 413 E N 6.499 126.735 120.200 0.060 0.000 1.941 413 E HA 0.209 nan 4.350 nan 0.000 0.275 413 E C 0.710 177.381 176.600 0.119 0.000 1.113 413 E CA -0.889 55.568 56.400 0.094 0.000 0.878 413 E CB 0.037 29.814 29.700 0.127 0.000 1.070 413 E HN 0.301 8.678 8.360 0.029 0.000 0.399 414 L N 6.175 127.456 121.223 0.096 0.000 2.083 414 L HA -0.381 nan 4.340 nan 0.000 0.209 414 L C 1.462 178.396 176.870 0.107 0.000 1.083 414 L CA 3.007 57.904 54.840 0.095 0.000 0.752 414 L CB -0.353 41.762 42.059 0.094 0.000 0.899 414 L HN 0.932 9.213 8.230 0.085 0.000 0.433 415 S N -0.677 115.094 115.700 0.119 0.000 2.434 415 S HA -0.506 nan 4.470 nan 0.000 0.250 415 S C 2.155 176.784 174.600 0.048 0.000 1.102 415 S CA 3.053 61.350 58.200 0.162 0.000 1.104 415 S CB -0.485 62.673 63.200 -0.070 0.000 0.957 415 S HN -0.217 8.152 8.310 0.099 0.000 0.456 416 H N -0.177 118.845 119.070 -0.080 0.000 2.326 416 H HA -0.165 nan 4.556 nan 0.000 0.301 416 H C 1.909 177.082 175.328 -0.257 0.000 1.081 416 H CA 2.981 58.841 56.048 -0.313 0.000 1.334 416 H CB 0.127 29.577 29.762 -0.521 0.000 1.385 416 H HN -0.836 7.488 8.280 0.128 0.033 0.504 417 G N -2.902 105.874 108.800 -0.040 0.000 2.404 417 G HA2 -0.138 nan 3.960 nan 0.000 0.214 417 G HA3 -0.138 nan 3.960 nan 0.000 0.214 417 G C -0.313 174.568 174.900 -0.031 0.000 1.189 417 G CA 0.897 45.951 45.100 -0.077 0.000 0.789 417 G HN -0.274 8.032 8.290 0.026 0.000 0.533 418 I N -3.660 116.933 120.570 0.039 0.000 3.076 418 I HA 0.443 nan 4.170 nan 0.000 0.313 418 I C -1.908 174.247 176.117 0.063 0.000 1.053 418 I CA -3.259 58.071 61.300 0.050 0.000 1.048 418 I CB 2.160 40.196 38.000 0.061 0.000 1.264 418 I HN -0.318 7.821 8.210 0.062 0.109 0.498 419 N N 1.599 120.290 118.700 -0.015 0.000 2.415 419 N HA -0.058 nan 4.740 nan 0.000 0.250 419 N C -0.036 175.396 175.510 -0.129 0.000 1.127 419 N CA -0.536 52.409 53.050 -0.175 0.000 0.945 419 N CB -0.662 37.678 38.487 -0.245 0.000 1.196 419 N HN -0.012 8.358 8.380 -0.015 0.000 0.499 420 F N 1.567 121.523 119.950 0.010 0.000 2.161 420 F HA -0.140 nan 4.527 nan 0.000 0.300 420 F C 1.384 177.175 175.800 -0.016 0.000 1.089 420 F CA 0.786 58.785 58.000 -0.002 0.000 1.282 420 F CB -0.201 38.796 39.000 -0.005 0.000 1.010 420 F HN -0.339 7.834 8.300 -0.212 0.000 0.485 421 G N -0.544 108.043 108.800 -0.356 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 0.426 175.359 174.900 0.055 0.000 1.351 421 G CA 1.543 46.524 45.100 -0.199 0.000 0.905 421 G HN -0.246 7.515 8.290 -1.061 -0.107 0.561 422 T N 0.641 115.326 114.554 0.219 0.000 3.348 422 T HA 0.130 nan 4.350 nan 0.000 0.233 422 T C 0.245 175.106 174.700 0.267 0.000 0.960 422 T CA 0.193 62.423 62.100 0.217 0.000 1.343 422 T CB 0.920 69.857 68.868 0.115 0.000 1.068 422 T HN 0.187 8.486 8.240 0.183 0.051 0.410 423 D N 2.263 122.777 120.400 0.189 0.000 2.352 423 D HA -0.149 nan 4.640 nan 0.000 0.238 423 D C 0.406 176.593 176.300 -0.190 0.000 1.286 423 D CA 0.228 54.243 54.000 0.026 0.000 0.923 423 D CB 0.535 41.353 40.800 0.029 0.000 1.146 423 D HN -0.364 8.141 8.370 0.224 0.000 0.471 424 Q N -1.915 117.766 119.800 -0.198 0.000 2.016 424 Q HA -0.114 nan 4.340 nan 0.000 0.200 424 Q C 0.813 176.570 176.000 -0.405 0.000 0.978 424 Q CA 2.506 58.122 55.803 -0.312 0.000 0.833 424 Q CB 0.902 29.537 28.738 -0.171 0.000 0.895 424 Q HN -0.062 8.141 8.270 -0.112 0.000 0.427 425 S N -4.280 111.290 115.700 -0.217 0.000 2.543 425 S HA 0.353 nan 4.470 nan 0.000 0.273 425 S C -2.603 171.970 174.600 -0.046 0.000 1.152 425 S CA -0.383 57.734 58.200 -0.138 0.000 0.910 425 S CB 2.281 65.428 63.200 -0.088 0.000 1.105 425 S HN -0.695 7.637 8.310 -0.147 -0.110 0.465 426 V N 1.131 121.048 119.914 0.004 0.000 2.409 426 V HA 0.741 nan 4.120 nan 0.000 0.291 426 V C -1.629 174.493 176.094 0.046 0.000 1.020 426 V CA -2.737 59.588 62.300 0.041 0.000 0.848 426 V CB 1.415 33.285 31.823 0.078 0.000 0.990 426 V HN 0.795 8.990 8.190 0.007 0.000 0.430 427 K N 4.879 125.302 120.400 0.038 0.000 2.270 427 K HA 0.733 nan 4.320 nan 0.000 0.255 427 K C -2.074 174.558 176.600 0.054 0.000 0.936 427 K CA -2.529 53.782 56.287 0.041 0.000 0.809 427 K CB 2.969 35.477 32.500 0.013 0.000 1.131 427 K HN 0.679 8.845 8.250 0.032 0.103 0.427 428 V N 4.129 124.094 119.914 0.085 0.000 2.318 428 V HA 0.286 nan 4.120 nan 0.000 0.271 428 V C -1.501 174.660 176.094 0.111 0.000 1.030 428 V CA -2.427 59.940 62.300 0.112 0.000 0.844 428 V CB 0.691 32.604 31.823 0.149 0.000 1.015 428 V HN 0.069 8.317 8.190 0.098 0.000 0.460 429 K N 11.305 131.714 120.400 0.015 0.000 2.336 429 K HA 0.061 nan 4.320 nan 0.000 0.290 429 K C -1.010 175.520 176.600 -0.116 0.000 1.067 429 K CA 0.057 56.268 56.287 -0.127 0.000 0.962 429 K CB 0.036 32.456 32.500 -0.132 0.000 1.008 429 K HN 0.724 8.987 8.250 0.022 0.000 0.467 430 Y N 3.385 123.597 120.300 -0.147 0.000 2.618 430 Y HA 0.282 nan 4.550 nan 0.000 0.326 430 Y C -2.122 173.591 175.900 -0.311 0.000 1.168 430 Y CA -3.047 54.983 58.100 -0.115 0.000 1.269 430 Y CB 2.447 40.927 38.460 0.033 0.000 1.388 430 Y HN 0.245 8.030 8.280 -0.649 0.106 0.528 431 H N -0.679 118.506 119.070 0.192 0.000 2.609 431 H HA 0.446 nan 4.556 nan 0.000 0.344 431 H C -1.256 174.208 175.328 0.226 0.000 1.040 431 H CA -1.272 54.816 56.048 0.066 0.000 1.216 431 H CB 2.883 32.688 29.762 0.071 0.000 1.529 431 H HN -0.118 8.422 8.280 0.434 0.000 0.519 432 H N 1.481 120.685 119.070 0.223 0.000 2.797 432 H HA 0.373 nan 4.556 nan 0.000 0.372 432 H C -2.084 173.367 175.328 0.206 0.000 1.168 432 H CA -2.437 53.748 56.048 0.228 0.000 1.163 432 H CB 2.367 32.197 29.762 0.112 0.000 1.778 432 H HN 0.789 8.846 8.280 -0.176 0.117 0.551 433 L N 0.139 121.679 121.223 0.527 0.000 2.452 433 L HA 0.105 nan 4.340 nan 0.000 0.267 433 L C -1.058 176.124 176.870 0.519 0.000 1.188 433 L CA 0.842 55.934 54.840 0.421 0.000 0.821 433 L CB 1.281 43.517 42.059 0.295 0.000 1.102 433 L HN 0.373 8.951 8.230 0.580 0.000 0.470 434 D N 0.977 121.596 120.400 0.364 0.000 3.158 434 D HA 0.298 nan 4.640 nan 0.000 0.314 434 D C -2.153 174.264 176.300 0.194 0.000 1.308 434 D CA -1.992 52.169 54.000 0.270 0.000 1.001 434 D CB 2.826 43.728 40.800 0.171 0.000 1.389 434 D HN 0.365 8.927 8.370 0.320 0.000 0.595 435 H N -4.796 114.320 119.070 0.076 0.000 3.064 435 H HA 0.330 nan 4.556 nan 0.000 0.352 435 H C -1.684 173.605 175.328 -0.064 0.000 1.260 435 H CA -1.655 54.381 56.048 -0.020 0.000 1.160 435 H CB 2.772 32.492 29.762 -0.070 0.000 1.879 435 H HN -0.114 7.988 8.280 -0.298 0.000 0.544 436 E N 1.586 121.812 120.200 0.044 0.000 2.398 436 E HA 0.051 nan 4.350 nan 0.000 0.263 436 E C -1.296 175.378 176.600 0.124 0.000 1.046 436 E CA -1.641 54.773 56.400 0.024 0.000 0.908 436 E CB 0.764 30.466 29.700 0.003 0.000 0.963 436 E HN 0.229 8.489 8.360 0.035 0.121 0.431 437 P HA 0.016 nan 4.420 nan 0.000 0.271 437 P C -2.130 175.404 177.300 0.391 0.000 1.233 437 P CA 0.354 63.620 63.100 0.276 0.000 0.789 437 P CB 0.489 32.364 31.700 0.291 0.000 0.951 438 F N -5.454 114.531 119.950 0.059 0.000 2.807 438 F HA 0.495 nan 4.527 nan 0.000 0.316 438 F C -2.452 173.288 175.800 -0.101 0.000 1.162 438 F CA -2.045 55.924 58.000 -0.052 0.000 0.910 438 F CB 2.374 41.300 39.000 -0.123 0.000 1.314 438 F HN -0.255 8.254 8.300 0.348 0.000 0.454 439 T N -0.574 113.820 114.554 -0.267 0.000 2.916 439 T HA 0.620 nan 4.350 nan 0.000 0.292 439 T C -1.623 172.754 174.700 -0.540 0.000 1.055 439 T CA -1.585 60.261 62.100 -0.424 0.000 1.009 439 T CB 2.864 71.631 68.868 -0.167 0.000 1.118 439 T HN -0.160 8.056 8.240 -0.041 0.000 0.497 440 Y N 1.820 122.033 120.300 -0.146 0.000 2.313 440 Y HA 0.218 nan 4.550 nan 0.000 0.332 440 Y C -1.319 174.569 175.900 -0.020 0.000 1.071 440 Y CA -0.844 57.241 58.100 -0.025 0.000 1.169 440 Y CB 1.240 39.700 38.460 -0.001 0.000 1.192 440 Y HN 0.499 8.544 8.280 -0.218 0.105 0.487 441 N N 3.513 122.281 118.700 0.113 0.000 2.446 441 N HA 0.428 nan 4.740 nan 0.000 0.265 441 N C -2.212 173.365 175.510 0.112 0.000 0.975 441 N CA -0.806 52.291 53.050 0.078 0.000 0.928 441 N CB 2.520 41.034 38.487 0.046 0.000 1.160 441 N HN -0.092 8.356 8.380 0.112 0.000 0.495 442 I N 6.064 126.694 120.570 0.099 0.000 2.418 442 I HA 0.612 nan 4.170 nan 0.000 0.287 442 I C -2.555 173.605 176.117 0.071 0.000 1.008 442 I CA -1.946 59.416 61.300 0.103 0.000 1.104 442 I CB 2.994 41.068 38.000 0.123 0.000 1.264 442 I HN 0.468 8.719 8.210 0.069 0.000 0.438 443 V N 9.012 128.967 119.914 0.069 0.000 2.532 443 V HA 0.675 nan 4.120 nan 0.000 0.295 443 V C -1.556 174.574 176.094 0.060 0.000 1.041 443 V CA -1.615 60.719 62.300 0.058 0.000 0.926 443 V CB 1.327 33.179 31.823 0.049 0.000 0.992 443 V HN 0.796 8.922 8.190 0.077 0.110 0.457 444 V N 5.315 125.262 119.914 0.055 0.000 2.841 444 V HA 0.408 nan 4.120 nan 0.000 0.310 444 V C -2.045 174.068 176.094 0.031 0.000 1.090 444 V CA -1.220 61.111 62.300 0.051 0.000 0.930 444 V CB 4.334 36.198 31.823 0.069 0.000 1.014 444 V HN 0.886 9.020 8.190 0.053 0.088 0.425 445 E N 6.345 126.554 120.200 0.015 0.000 2.070 445 E HA 0.274 nan 4.350 nan 0.000 0.261 445 E C -1.359 175.227 176.600 -0.024 0.000 0.926 445 E CA -2.359 54.041 56.400 -0.001 0.000 0.760 445 E CB 1.257 30.956 29.700 -0.002 0.000 1.133 445 E HN 0.730 8.982 8.360 0.016 0.118 0.420 446 N N 8.220 126.903 118.700 -0.028 0.000 2.739 446 N HA 0.018 nan 4.740 nan 0.000 0.266 446 N C 0.727 176.202 175.510 -0.059 0.000 1.168 446 N CA -1.308 51.706 53.050 -0.061 0.000 1.055 446 N CB -0.356 38.098 38.487 -0.054 0.000 1.393 446 N HN 0.345 8.629 8.380 -0.011 0.090 0.514 447 N N 4.236 122.897 118.700 -0.064 0.000 2.192 447 N HA -0.340 nan 4.740 nan 0.000 0.188 447 N C -0.078 175.399 175.510 -0.054 0.000 1.013 447 N CA 2.362 55.380 53.050 -0.052 0.000 0.863 447 N CB -0.009 38.447 38.487 -0.052 0.000 0.990 447 N HN -0.240 8.065 8.380 -0.073 0.032 0.430 448 S N -0.611 115.045 115.700 -0.073 0.000 2.533 448 S HA 0.003 nan 4.470 nan 0.000 0.282 448 S C 1.061 175.629 174.600 -0.053 0.000 1.304 448 S CA 0.309 58.469 58.200 -0.067 0.000 1.063 448 S CB 0.354 63.501 63.200 -0.089 0.000 0.881 448 S HN -0.691 7.531 8.310 -0.095 0.030 0.493 449 G N 1.588 110.364 108.800 -0.040 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 -0.942 173.936 174.900 -0.036 0.000 1.115 449 G CA 0.851 45.931 45.100 -0.033 0.000 0.757 449 G HN 0.432 8.700 8.290 -0.037 0.000 0.560 450 A N -0.994 121.801 122.820 -0.043 0.000 2.310 450 A HA 0.130 nan 4.320 nan 0.000 0.299 450 A C -0.681 176.861 177.584 -0.071 0.000 1.147 450 A CA -1.575 50.434 52.037 -0.047 0.000 0.818 450 A CB 1.062 20.040 19.000 -0.037 0.000 1.096 450 A HN -0.668 7.418 8.150 -0.045 0.037 0.495 451 E N 1.135 121.284 120.200 -0.085 0.000 2.652 451 E HA -0.309 nan 4.350 nan 0.000 0.255 451 E C -1.027 175.463 176.600 -0.183 0.000 0.952 451 E CA 0.992 57.313 56.400 -0.133 0.000 0.947 451 E CB 0.086 29.684 29.700 -0.169 0.000 0.912 451 E HN 0.361 8.679 8.360 -0.069 0.000 0.489 452 K N 4.841 125.155 120.400 -0.143 0.000 2.185 452 K HA 0.235 nan 4.320 nan 0.000 0.269 452 K C -1.226 175.381 176.600 0.013 0.000 0.987 452 K CA -1.575 54.674 56.287 -0.063 0.000 0.865 452 K CB 1.775 34.244 32.500 -0.052 0.000 1.090 452 K HN 0.574 8.679 8.250 -0.105 0.082 0.450 453 H N 3.729 122.987 119.070 0.314 0.000 2.552 453 H HA 0.496 nan 4.556 nan 0.000 0.311 453 H C -0.343 175.268 175.328 0.471 0.000 1.071 453 H CA -0.926 55.377 56.048 0.425 0.000 1.307 453 H CB 0.797 30.847 29.762 0.481 0.000 1.416 453 H HN 0.499 8.941 8.280 0.270 0.000 0.464 454 S N 3.287 119.295 115.700 0.514 0.000 2.648 454 S HA 0.752 nan 4.470 nan 0.000 0.305 454 S C -0.710 173.996 174.600 0.177 0.000 1.094 454 S CA -1.648 56.691 58.200 0.231 0.000 0.983 454 S CB 2.191 65.516 63.200 0.208 0.000 1.101 454 S HN 0.698 9.293 8.310 0.475 0.000 0.514 455 T N 2.267 116.802 114.554 -0.032 0.000 2.791 455 T HA 0.379 nan 4.350 nan 0.000 0.288 455 T C -1.336 173.239 174.700 -0.208 0.000 0.999 455 T CA -0.515 61.562 62.100 -0.038 0.000 0.952 455 T CB 0.665 69.575 68.868 0.070 0.000 0.938 455 T HN 0.649 8.637 8.240 -0.228 0.115 0.444 456 V N 7.425 127.102 119.914 -0.396 0.000 2.318 456 V HA 0.374 nan 4.120 nan 0.000 0.271 456 V C -0.884 175.004 176.094 -0.344 0.000 1.030 456 V CA -1.094 60.912 62.300 -0.489 0.000 0.844 456 V CB -0.348 30.855 31.823 -1.033 0.000 1.015 456 V HN 1.048 8.833 8.190 -0.497 0.107 0.460 457 R N 7.539 127.966 120.500 -0.121 0.000 2.207 457 R HA 0.597 nan 4.340 nan 0.000 0.334 457 R C -1.062 175.262 176.300 0.040 0.000 1.013 457 R CA -1.062 55.027 56.100 -0.018 0.000 0.858 457 R CB 0.575 30.976 30.300 0.169 0.000 1.094 457 R HN 0.424 8.644 8.270 -0.084 0.000 0.457 458 I N 4.099 124.618 120.570 -0.085 0.000 2.441 458 I HA 0.636 nan 4.170 nan 0.000 0.295 458 I C -1.495 174.634 176.117 0.019 0.000 0.994 458 I CA -1.020 60.305 61.300 0.042 0.000 1.144 458 I CB 2.677 40.575 38.000 -0.170 0.000 1.314 458 I HN 0.759 8.758 8.210 -0.178 0.105 0.445 459 F N 4.507 124.626 119.950 0.281 0.000 2.593 459 F HA 0.789 nan 4.527 nan 0.000 0.320 459 F C -1.549 174.491 175.800 0.399 0.000 1.060 459 F CA -1.577 56.642 58.000 0.365 0.000 0.940 459 F CB 4.266 43.530 39.000 0.441 0.000 1.268 459 F HN 0.433 9.003 8.300 0.619 0.102 0.475 460 L N 1.270 122.826 121.223 0.555 0.000 2.406 460 L HA 0.670 nan 4.340 nan 0.000 0.272 460 L C -2.365 174.695 176.870 0.316 0.000 0.980 460 L CA -1.342 53.730 54.840 0.386 0.000 0.831 460 L CB 3.537 45.745 42.059 0.248 0.000 1.253 460 L HN 0.888 9.340 8.230 0.557 0.112 0.406 461 A N 5.996 128.909 122.820 0.155 0.000 2.483 461 A HA 0.841 nan 4.320 nan 0.000 0.286 461 A C -3.479 174.110 177.584 0.009 0.000 1.207 461 A CA -2.702 49.258 52.037 -0.127 0.000 0.764 461 A CB 1.984 20.485 19.000 -0.832 0.000 1.341 461 A HN 1.026 9.182 8.150 0.197 0.112 0.428 462 P HA 0.309 nan 4.420 nan 0.000 0.294 462 P C -1.449 175.631 177.300 -0.366 0.000 1.294 462 P CA -0.780 62.049 63.100 -0.453 0.000 0.827 462 P CB 1.274 32.652 31.700 -0.537 0.000 0.992 463 K N 1.245 121.417 120.400 -0.380 0.000 2.166 463 K HA -0.059 nan 4.320 nan 0.000 0.201 463 K C 0.533 176.892 176.600 -0.401 0.000 1.052 463 K CA 1.209 57.285 56.287 -0.351 0.000 0.969 463 K CB 0.892 33.182 32.500 -0.350 0.000 0.761 463 K HN -0.244 7.720 8.250 -0.478 0.000 0.459 464 Y N -1.980 118.165 120.300 -0.260 0.000 2.314 464 Y HA -0.152 nan 4.550 nan 0.000 0.334 464 Y C -0.518 175.262 175.900 -0.200 0.000 1.266 464 Y CA 1.971 59.947 58.100 -0.207 0.000 1.391 464 Y CB 0.783 39.117 38.460 -0.209 0.000 1.306 464 Y HN -0.865 7.238 8.280 -0.294 0.000 0.558 465 D N 0.754 121.193 120.400 0.065 0.000 2.567 465 D HA 0.157 nan 4.640 nan 0.000 0.275 465 D C -0.524 175.766 176.300 -0.017 0.000 1.195 465 D CA -1.179 52.813 54.000 -0.014 0.000 1.087 465 D CB 2.227 43.014 40.800 -0.023 0.000 1.165 465 D HN 0.165 8.504 8.370 0.133 0.111 0.609 466 E N -0.540 119.634 120.200 -0.043 0.000 2.463 466 E HA 0.019 nan 4.350 nan 0.000 0.193 466 E C -1.060 175.516 176.600 -0.040 0.000 1.041 466 E CA 1.100 57.468 56.400 -0.054 0.000 0.879 466 E CB -0.140 29.524 29.700 -0.059 0.000 0.997 466 E HN 0.388 8.720 8.360 -0.047 0.000 0.478 467 L N -0.636 120.573 121.223 -0.024 0.000 2.471 467 L HA 0.232 nan 4.340 nan 0.000 0.186 467 L C 0.349 177.218 176.870 -0.002 0.000 1.191 467 L CA 0.529 55.359 54.840 -0.016 0.000 0.835 467 L CB -0.075 41.975 42.059 -0.014 0.000 1.092 467 L HN -0.607 7.547 8.230 -0.020 0.064 0.495 468 N N -3.454 115.261 118.700 0.025 0.000 3.439 468 N HA 0.021 nan 4.740 nan 0.000 0.313 468 N C -1.956 173.633 175.510 0.132 0.000 1.598 468 N CA -0.829 52.264 53.050 0.073 0.000 0.830 468 N CB 1.615 40.127 38.487 0.042 0.000 1.849 468 N HN -0.516 7.876 8.380 0.020 0.000 0.598 469 N N -0.405 118.384 118.700 0.147 0.000 2.406 469 N HA -0.121 nan 4.740 nan 0.000 0.269 469 N C -1.487 173.977 175.510 -0.078 0.000 1.210 469 N CA 0.819 53.852 53.050 -0.028 0.000 0.966 469 N CB 0.025 38.401 38.487 -0.184 0.000 1.293 469 N HN 0.211 8.686 8.380 0.159 0.000 0.491 470 K N 3.467 123.820 120.400 -0.078 0.000 2.572 470 K HA 0.268 nan 4.320 nan 0.000 0.244 470 K C -0.316 176.229 176.600 -0.091 0.000 0.965 470 K CA -1.459 54.785 56.287 -0.072 0.000 0.943 470 K CB 1.107 33.582 32.500 -0.043 0.000 1.154 470 K HN -0.291 7.919 8.250 -0.067 0.000 0.447 471 L N 6.499 127.666 121.223 -0.093 0.000 2.930 471 L HA 0.001 nan 4.340 nan 0.000 0.250 471 L C -0.819 176.018 176.870 -0.054 0.000 1.320 471 L CA -0.890 53.895 54.840 -0.092 0.000 1.163 471 L CB -1.717 40.291 42.059 -0.084 0.000 1.542 471 L HN 0.842 9.021 8.230 -0.085 0.000 0.428 472 E N 1.545 121.710 120.200 -0.058 0.000 2.081 472 E HA 0.003 nan 4.350 nan 0.000 0.270 472 E C -1.305 175.266 176.600 -0.048 0.000 1.180 472 E CA -1.202 55.175 56.400 -0.040 0.000 0.926 472 E CB -0.651 29.025 29.700 -0.039 0.000 1.035 472 E HN -0.246 7.964 8.360 -0.069 0.109 0.418 473 P HA -0.126 nan 4.420 nan 0.000 0.222 473 P C 0.737 178.034 177.300 -0.005 0.000 1.153 473 P CA 2.425 65.527 63.100 0.004 0.000 0.798 473 P CB 0.298 32.011 31.700 0.022 0.000 0.796 474 D N -0.356 120.027 120.400 -0.028 0.000 2.097 474 D HA -0.323 nan 4.640 nan 0.000 0.197 474 D C 1.401 177.702 176.300 0.001 0.000 0.984 474 D CA 3.356 57.348 54.000 -0.013 0.000 0.826 474 D CB -0.431 40.358 40.800 -0.019 0.000 0.973 474 D HN 0.309 8.659 8.370 -0.033 0.000 0.460 475 E N -1.729 118.459 120.200 -0.020 0.000 2.085 475 E HA -0.349 nan 4.350 nan 0.000 0.194 475 E C 2.477 179.045 176.600 -0.053 0.000 0.994 475 E CA 2.990 59.371 56.400 -0.031 0.000 0.801 475 E CB -0.163 29.508 29.700 -0.048 0.000 0.743 475 E HN 0.112 8.457 8.360 -0.025 0.000 0.453 476 Q N -1.423 118.316 119.800 -0.101 0.000 2.291 476 Q HA -0.245 nan 4.340 nan 0.000 0.205 476 Q C 2.256 178.196 176.000 -0.101 0.000 0.970 476 Q CA 2.571 58.228 55.803 -0.242 0.000 0.876 476 Q CB -0.249 28.196 28.738 -0.489 0.000 0.935 476 Q HN 0.120 8.157 8.270 -0.090 0.179 0.455 477 R N -1.439 119.149 120.500 0.147 0.000 2.200 477 R HA -0.269 nan 4.340 nan 0.000 0.234 477 R C 1.715 178.144 176.300 0.215 0.000 1.127 477 R CA 2.615 58.894 56.100 0.299 0.000 0.989 477 R CB -0.489 29.936 30.300 0.208 0.000 0.869 477 R HN -0.203 8.008 8.270 0.095 0.116 0.459 478 R N -2.932 117.637 120.500 0.114 0.000 2.148 478 R HA -0.091 nan 4.340 nan 0.000 0.223 478 R C 1.177 177.521 176.300 0.074 0.000 1.088 478 R CA 1.284 57.443 56.100 0.098 0.000 0.985 478 R CB -0.136 30.204 30.300 0.067 0.000 0.880 478 R HN -0.656 7.619 8.270 0.069 0.036 0.451 479 L N -1.456 119.782 121.223 0.024 0.000 2.316 479 L HA 0.063 nan 4.340 nan 0.000 0.207 479 L C 0.803 177.703 176.870 0.051 0.000 1.070 479 L CA 0.739 55.569 54.840 -0.017 0.000 0.820 479 L CB 0.112 42.095 42.059 -0.128 0.000 0.992 479 L HN -0.350 7.703 8.230 -0.006 0.173 0.466 480 F N -0.656 119.303 119.950 0.015 0.000 2.512 480 F HA -0.304 nan 4.527 nan 0.000 0.406 480 F C 0.245 176.200 175.800 0.259 0.000 0.990 480 F CA 2.563 60.616 58.000 0.088 0.000 1.137 480 F CB -0.236 38.703 39.000 -0.103 0.000 0.960 480 F HN -0.215 8.097 8.300 0.019 0.000 0.533 481 I N -0.387 120.513 120.570 0.550 0.000 2.465 481 I HA 0.403 nan 4.170 nan 0.000 0.291 481 I C -1.636 174.642 176.117 0.268 0.000 1.014 481 I CA -2.174 59.336 61.300 0.349 0.000 1.093 481 I CB 3.313 41.416 38.000 0.171 0.000 1.267 481 I HN 0.741 9.174 8.210 0.563 0.115 0.431 482 E N 6.472 126.678 120.200 0.010 0.000 2.217 482 E HA 0.022 nan 4.350 nan 0.000 0.279 482 E C -0.650 175.869 176.600 -0.136 0.000 1.068 482 E CA -0.031 56.089 56.400 -0.467 0.000 0.882 482 E CB 0.899 30.387 29.700 -0.353 0.000 1.039 482 E HN 0.085 8.841 8.360 0.160 -0.299 0.418 483 L N 6.384 127.547 121.223 -0.100 0.000 2.375 483 L HA 0.063 nan 4.340 nan 0.000 0.215 483 L C -0.443 176.423 176.870 -0.007 0.000 1.108 483 L CA 0.601 55.463 54.840 0.038 0.000 0.830 483 L CB 0.415 42.598 42.059 0.206 0.000 0.959 483 L HN 0.798 8.814 8.230 -0.171 0.111 0.457 484 D N -3.928 116.425 120.400 -0.078 0.000 2.683 484 D HA 0.153 nan 4.640 nan 0.000 0.246 484 D C -2.911 173.375 176.300 -0.023 0.000 1.238 484 D CA -0.481 53.506 54.000 -0.022 0.000 0.759 484 D CB 2.562 43.355 40.800 -0.012 0.000 1.349 484 D HN -0.836 7.437 8.370 -0.161 0.000 0.426 485 K N 2.098 122.544 120.400 0.075 0.000 2.651 485 K HA 0.476 nan 4.320 nan 0.000 0.259 485 K C -1.882 174.807 176.600 0.148 0.000 1.017 485 K CA -0.240 56.068 56.287 0.034 0.000 0.897 485 K CB 1.711 34.218 32.500 0.013 0.000 1.262 485 K HN 0.141 8.475 8.250 0.139 0.000 0.460 486 F N 0.650 120.584 119.950 -0.028 0.000 2.675 486 F HA 0.433 nan 4.527 nan 0.000 0.324 486 F C -2.390 173.442 175.800 0.054 0.000 1.106 486 F CA -2.509 55.490 58.000 -0.001 0.000 0.970 486 F CB 2.574 41.555 39.000 -0.031 0.000 1.385 486 F HN 0.020 8.089 8.300 -0.384 0.000 0.489 487 F N -0.223 119.763 119.950 0.060 0.000 2.436 487 F HA 0.431 nan 4.527 nan 0.000 0.340 487 F C -2.277 173.658 175.800 0.226 0.000 1.113 487 F CA -1.684 56.229 58.000 -0.144 0.000 1.022 487 F CB 2.194 40.800 39.000 -0.656 0.000 1.128 487 F HN -0.042 8.492 8.300 0.389 0.000 0.466 488 Y N 7.201 127.331 120.300 -0.283 0.000 2.638 488 Y HA 0.233 nan 4.550 nan 0.000 0.339 488 Y C -2.270 173.450 175.900 -0.299 0.000 1.084 488 Y CA -1.281 56.602 58.100 -0.361 0.000 1.068 488 Y CB 4.720 43.201 38.460 0.036 0.000 1.294 488 Y HN -0.230 8.144 8.280 0.157 0.000 0.480 489 T N 3.885 118.070 114.554 -0.615 0.000 2.841 489 T HA 0.591 nan 4.350 nan 0.000 0.283 489 T C -1.530 172.996 174.700 -0.291 0.000 1.000 489 T CA -0.635 61.288 62.100 -0.296 0.000 0.977 489 T CB 1.202 69.936 68.868 -0.224 0.000 0.979 489 T HN -0.006 7.432 8.240 -1.337 0.000 0.446 490 L N 5.926 127.094 121.223 -0.092 0.000 2.372 490 L HA 0.440 nan 4.340 nan 0.000 0.273 490 L C -0.517 176.325 176.870 -0.048 0.000 0.989 490 L CA -1.033 53.810 54.840 0.006 0.000 0.841 490 L CB 2.217 44.331 42.059 0.093 0.000 1.225 490 L HN 0.851 8.914 8.230 -0.110 0.100 0.414 491 T N 2.397 116.927 114.554 -0.040 0.000 2.748 491 T HA 0.211 nan 4.350 nan 0.000 0.304 491 T C -0.947 173.735 174.700 -0.030 0.000 1.041 491 T CA -2.180 59.894 62.100 -0.043 0.000 1.033 491 T CB -1.079 67.770 68.868 -0.030 0.000 0.995 491 T HN 0.030 8.409 8.240 -0.016 -0.149 0.536 492 P HA -0.293 nan 4.420 nan 0.000 0.268 492 P C -0.697 176.594 177.300 -0.015 0.000 1.208 492 P CA 0.555 63.638 63.100 -0.028 0.000 0.777 492 P CB 0.118 31.802 31.700 -0.027 0.000 0.875 493 G N 2.295 111.087 108.800 -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 -1.473 173.430 174.900 0.006 0.000 1.286 493 G CA -0.371 44.726 45.100 -0.005 0.000 0.904 493 G HN -0.069 8.104 8.290 -0.023 0.103 0.577 494 K N 2.997 123.404 120.400 0.012 0.000 2.419 494 K HA -0.172 nan 4.320 nan 0.000 0.282 494 K C -0.822 175.799 176.600 0.034 0.000 1.056 494 K CA 1.038 57.338 56.287 0.022 0.000 1.035 494 K CB -0.227 32.285 32.500 0.020 0.000 0.921 494 K HN 0.116 8.371 8.250 0.009 0.000 0.472 495 N N 5.492 124.221 118.700 0.048 0.000 2.269 495 N HA 0.304 nan 4.740 nan 0.000 0.304 495 N C -1.686 173.867 175.510 0.072 0.000 1.072 495 N CA -0.513 52.582 53.050 0.075 0.000 0.802 495 N CB 4.251 42.803 38.487 0.108 0.000 1.348 495 N HN 0.557 8.860 8.380 0.045 0.103 0.484 496 T N -3.548 111.052 114.554 0.076 0.000 2.841 496 T HA 0.671 nan 4.350 nan 0.000 0.283 496 T C -0.906 173.804 174.700 0.016 0.000 1.000 496 T CA -1.720 60.408 62.100 0.048 0.000 0.977 496 T CB 1.448 70.337 68.868 0.036 0.000 0.979 496 T HN 0.205 8.499 8.240 0.091 0.000 0.446 497 I N 2.750 123.283 120.570 -0.061 0.000 2.530 497 I HA 0.446 nan 4.170 nan 0.000 0.297 497 I C -1.523 174.516 176.117 -0.130 0.000 1.011 497 I CA -1.324 59.818 61.300 -0.262 0.000 1.107 497 I CB 3.890 41.686 38.000 -0.340 0.000 1.285 497 I HN 0.543 8.746 8.210 -0.013 0.000 0.436 498 V N 5.061 124.877 119.914 -0.164 0.000 2.588 498 V HA 0.595 nan 4.120 nan 0.000 0.304 498 V C -1.475 174.527 176.094 -0.153 0.000 1.042 498 V CA -1.352 60.894 62.300 -0.091 0.000 0.877 498 V CB 1.791 33.576 31.823 -0.063 0.000 0.996 498 V HN 0.118 8.158 8.190 -0.250 0.000 0.425 499 R N 7.293 127.733 120.500 -0.100 0.000 2.510 499 R HA 0.343 nan 4.340 nan 0.000 0.294 499 R C -1.886 174.338 176.300 -0.128 0.000 1.056 499 R CA -1.757 54.237 56.100 -0.176 0.000 0.918 499 R CB 2.949 33.099 30.300 -0.249 0.000 1.187 499 R HN 0.329 8.582 8.270 -0.027 0.000 0.437 500 N N 6.424 125.014 118.700 -0.184 0.000 2.518 500 N HA 0.143 nan 4.740 nan 0.000 0.283 500 N C 0.778 176.157 175.510 -0.218 0.000 1.119 500 N CA -0.427 52.505 53.050 -0.197 0.000 0.983 500 N CB 0.880 39.283 38.487 -0.140 0.000 1.139 500 N HN 0.462 8.722 8.380 -0.201 0.000 0.465 501 H N 3.458 122.345 119.070 -0.304 0.000 2.375 501 H HA -0.539 nan 4.556 nan 0.000 0.289 501 H C 1.781 177.111 175.328 0.003 0.000 1.121 501 H CA 4.295 60.234 56.048 -0.181 0.000 1.207 501 H CB -0.051 29.755 29.762 0.073 0.000 1.355 501 H HN 0.639 8.782 8.280 -0.229 0.000 0.486 502 Q N -1.583 117.803 119.800 -0.690 0.000 2.124 502 Q HA -0.282 nan 4.340 nan 0.000 0.202 502 Q C 1.379 177.247 176.000 -0.220 0.000 0.977 502 Q CA 2.767 58.210 55.803 -0.600 0.000 0.850 502 Q CB -0.728 27.777 28.738 -0.388 0.000 0.901 502 Q HN 0.324 8.247 8.270 -0.475 0.062 0.429 503 D N -2.588 117.702 120.400 -0.183 0.000 2.352 503 D HA 0.070 nan 4.640 nan 0.000 0.236 503 D C -0.192 176.059 176.300 -0.082 0.000 1.148 503 D CA -0.773 53.153 54.000 -0.123 0.000 0.844 503 D CB -1.008 39.697 40.800 -0.157 0.000 0.933 503 D HN -0.661 7.550 8.370 -0.221 0.026 0.507 504 S N 0.482 116.160 115.700 -0.037 0.000 2.544 504 S HA -0.168 nan 4.470 nan 0.000 0.290 504 S C 0.304 174.895 174.600 -0.015 0.000 1.276 504 S CA 1.252 59.456 58.200 0.007 0.000 1.075 504 S CB 0.290 63.533 63.200 0.072 0.000 0.849 504 S HN -0.735 7.451 8.310 -0.043 0.098 0.494 505 S N 7.618 123.305 115.700 -0.021 0.000 2.727 505 S HA -0.031 nan 4.470 nan 0.000 0.226 505 S C 0.485 175.037 174.600 -0.080 0.000 0.963 505 S CA 1.666 59.850 58.200 -0.026 0.000 0.950 505 S CB -0.546 62.657 63.200 0.004 0.000 0.779 505 S HN 0.308 8.768 8.310 -0.005 -0.153 0.532 506 V N -6.631 113.176 119.914 -0.178 0.000 3.635 506 V HA 0.386 nan 4.120 nan 0.000 0.266 506 V C -0.980 175.044 176.094 -0.117 0.000 1.316 506 V CA -0.022 62.029 62.300 -0.414 0.000 1.060 506 V CB 0.821 32.004 31.823 -1.067 0.000 0.820 506 V HN -0.761 7.257 8.190 -0.118 0.102 0.447 507 T N -1.097 113.460 114.554 0.006 0.000 2.928 507 T HA 0.482 nan 4.350 nan 0.000 0.284 507 T C -0.842 173.924 174.700 0.110 0.000 1.008 507 T CA -2.021 60.145 62.100 0.110 0.000 1.057 507 T CB 1.442 70.388 68.868 0.131 0.000 1.018 507 T HN -0.712 7.518 8.240 -0.016 0.000 0.493 508 I N 3.194 123.840 120.570 0.128 0.000 2.474 508 I HA -0.059 nan 4.170 nan 0.000 0.287 508 I C -0.874 175.285 176.117 0.070 0.000 1.048 508 I CA -1.195 60.156 61.300 0.085 0.000 1.383 508 I CB 1.570 39.624 38.000 0.090 0.000 1.412 508 I HN 0.047 8.349 8.210 0.154 0.000 0.531 509 S N 7.970 123.688 115.700 0.029 0.000 2.339 509 S HA 0.002 nan 4.470 nan 0.000 0.189 509 S C 0.368 174.975 174.600 0.011 0.000 0.966 509 S CA 1.147 59.362 58.200 0.025 0.000 0.925 509 S CB 0.650 63.847 63.200 -0.005 0.000 0.890 509 S HN -0.128 8.345 8.310 0.009 -0.157 0.539 510 K N 2.991 123.371 120.400 -0.035 0.000 2.266 510 K HA 0.129 nan 4.320 nan 0.000 0.274 510 K C -1.204 175.340 176.600 -0.093 0.000 1.090 510 K CA -1.485 54.773 56.287 -0.049 0.000 0.925 510 K CB -0.083 32.382 32.500 -0.058 0.000 1.225 510 K HN -0.218 7.999 8.250 -0.054 0.000 0.458 511 V N 5.095 124.988 119.914 -0.036 0.000 3.032 511 V HA -0.046 nan 4.120 nan 0.000 0.307 511 V C -0.684 175.385 176.094 -0.041 0.000 1.097 511 V CA 0.406 62.688 62.300 -0.029 0.000 1.191 511 V CB 0.804 32.642 31.823 0.025 0.000 0.964 511 V HN -0.119 8.072 8.190 0.001 0.000 0.494 512 R N 5.751 126.234 120.500 -0.028 0.000 2.476 512 R HA 0.313 nan 4.340 nan 0.000 0.305 512 R C -1.429 174.882 176.300 0.018 0.000 0.965 512 R CA -1.350 54.753 56.100 0.004 0.000 0.867 512 R CB 2.145 32.474 30.300 0.049 0.000 1.176 512 R HN -0.129 8.131 8.270 -0.017 0.000 0.447 513 T N 4.287 118.851 114.554 0.017 0.000 2.913 513 T HA 0.251 nan 4.350 nan 0.000 0.287 513 T C 0.867 175.586 174.700 0.033 0.000 1.008 513 T CA -1.508 60.598 62.100 0.010 0.000 1.067 513 T CB 1.307 70.172 68.868 -0.006 0.000 0.996 513 T HN 0.217 8.467 8.240 0.018 0.000 0.513 514 F N 6.001 125.845 119.950 -0.178 0.000 2.184 514 F HA -0.420 nan 4.527 nan 0.000 0.301 514 F C 1.066 176.818 175.800 -0.080 0.000 1.076 514 F CA 3.816 61.717 58.000 -0.166 0.000 1.295 514 F CB 0.363 39.155 39.000 -0.347 0.000 1.026 514 F HN 0.378 9.033 8.300 0.065 -0.317 0.494 515 D N -2.371 118.130 120.400 0.170 0.000 2.097 515 D HA -0.275 nan 4.640 nan 0.000 0.195 515 D C 2.563 178.918 176.300 0.092 0.000 0.989 515 D CA 3.325 57.424 54.000 0.164 0.000 0.827 515 D CB -0.550 40.320 40.800 0.116 0.000 0.966 515 D HN -0.524 7.853 8.370 0.053 0.024 0.456 516 Q N -0.802 119.030 119.800 0.052 0.000 2.119 516 Q HA -0.239 nan 4.340 nan 0.000 0.201 516 Q C 3.006 179.013 176.000 0.011 0.000 0.972 516 Q CA 2.533 58.355 55.803 0.033 0.000 0.847 516 Q CB 0.158 28.916 28.738 0.032 0.000 0.903 516 Q HN -0.625 7.588 8.270 0.048 0.086 0.433 517 L N -0.340 120.872 121.223 -0.019 0.000 2.079 517 L HA -0.320 nan 4.340 nan 0.000 0.210 517 L C 2.091 178.912 176.870 -0.082 0.000 1.081 517 L CA 2.271 57.057 54.840 -0.091 0.000 0.752 517 L CB -0.723 41.207 42.059 -0.215 0.000 0.896 517 L HN -0.193 8.031 8.230 -0.009 0.000 0.433 518 G N -2.945 105.846 108.800 -0.015 0.000 2.499 518 G HA2 -0.287 nan 3.960 nan 0.000 0.221 518 G HA3 -0.287 nan 3.960 nan 0.000 0.221 518 G C -0.684 174.228 174.900 0.021 0.000 1.109 518 G CA 1.019 46.141 45.100 0.036 0.000 0.749 518 G HN -0.092 8.212 8.290 0.022 0.000 0.568 519 A N 0.320 123.146 122.820 0.010 0.000 2.195 519 A HA 0.563 nan 4.320 nan 0.000 0.212 519 A C -1.140 176.435 177.584 -0.016 0.000 2.368 519 A CA -0.041 51.998 52.037 0.002 0.000 1.424 519 A CB 1.358 20.366 19.000 0.013 0.000 1.095 519 A HN -0.221 7.762 8.150 0.010 0.174 0.516 520 G N -1.605 107.189 108.800 -0.010 0.000 2.282 520 G HA2 -0.081 nan 3.960 nan 0.000 0.274 520 G HA3 -0.081 nan 3.960 nan 0.000 0.274 520 G C -2.314 172.586 174.900 -0.001 0.000 1.718 520 G CA 0.398 45.487 45.100 -0.019 0.000 0.927 520 G HN -0.318 7.973 8.290 0.002 0.000 0.733 521 E N 0.943 121.152 120.200 0.015 0.000 2.336 521 E HA 0.281 nan 4.350 nan 0.000 0.267 521 E C -0.156 176.466 176.600 0.036 0.000 0.906 521 E CA -0.870 55.549 56.400 0.031 0.000 0.781 521 E CB 2.526 32.261 29.700 0.058 0.000 1.261 521 E HN 0.290 8.659 8.360 0.015 0.000 0.436 522 G N 1.511 110.329 108.800 0.031 0.000 2.922 522 G HA2 0.105 nan 3.960 nan 0.000 0.335 522 G HA3 0.105 nan 3.960 nan 0.000 0.335 522 G C -1.220 173.717 174.900 0.061 0.000 1.016 522 G CA -0.104 45.012 45.100 0.027 0.000 1.306 522 G HN 0.308 8.614 8.290 0.027 0.000 0.465 523 V N 2.492 122.488 119.914 0.136 0.000 2.521 523 V HA -0.078 nan 4.120 nan 0.000 0.239 523 V C -0.122 176.065 176.094 0.154 0.000 1.053 523 V CA 1.531 63.927 62.300 0.160 0.000 1.073 523 V CB 0.518 32.461 31.823 0.200 0.000 0.746 523 V HN 0.574 8.867 8.190 0.172 0.000 0.476 524 S N -0.889 114.928 115.700 0.195 0.000 4.310 524 S HA -0.044 nan 4.470 nan 0.000 0.230 524 S C -1.690 172.837 174.600 -0.121 0.000 1.101 524 S CA -0.330 57.885 58.200 0.025 0.000 1.153 524 S CB 1.233 64.441 63.200 0.013 0.000 1.962 524 S HN -0.327 8.237 8.310 0.423 0.000 0.593 525 E N -0.024 120.062 120.200 -0.191 0.000 2.646 525 E HA 0.195 nan 4.350 nan 0.000 0.336 525 E C -1.974 174.470 176.600 -0.260 0.000 1.027 525 E CA 0.044 56.230 56.400 -0.356 0.000 0.765 525 E CB 2.834 32.369 29.700 -0.275 0.000 1.545 525 E HN -0.005 8.285 8.360 -0.116 0.000 0.382 526 D N 1.553 121.798 120.400 -0.259 0.000 3.093 526 D HA 0.253 nan 4.640 nan 0.000 0.200 526 D C -0.547 175.652 176.300 -0.168 0.000 1.344 526 D CA -1.100 52.816 54.000 -0.140 0.000 1.133 526 D CB 2.137 42.916 40.800 -0.034 0.000 1.188 526 D HN -0.102 8.022 8.370 -0.410 0.000 0.583 527 S N -0.686 114.958 115.700 -0.093 0.000 4.274 527 S HA 0.229 nan 4.470 nan 0.000 0.171 527 S C 1.181 175.725 174.600 -0.094 0.000 1.154 527 S CA 0.970 59.093 58.200 -0.128 0.000 1.145 527 S CB 1.662 64.758 63.200 -0.173 0.000 1.986 527 S HN 0.173 8.459 8.310 -0.041 0.000 0.795 528 T N 2.742 117.202 114.554 -0.156 0.000 3.035 528 T HA 0.064 nan 4.350 nan 0.000 0.268 528 T C 0.691 175.272 174.700 -0.198 0.000 1.109 528 T CA 2.860 64.829 62.100 -0.219 0.000 1.119 528 T CB -0.528 68.189 68.868 -0.252 0.000 0.900 528 T HN 0.265 8.390 8.240 -0.191 0.000 0.503 529 E N 0.478 120.627 120.200 -0.087 0.000 1.999 529 E HA -0.290 nan 4.350 nan 0.000 0.194 529 E C 1.385 178.010 176.600 0.042 0.000 0.995 529 E CA 1.674 58.074 56.400 0.000 0.000 0.825 529 E CB -0.772 28.935 29.700 0.012 0.000 0.777 529 E HN -0.071 8.225 8.360 -0.108 0.000 0.459 530 Y N 0.041 120.313 120.300 -0.047 0.000 2.838 530 Y HA -0.493 nan 4.550 nan 0.000 0.489 530 Y C -0.688 175.208 175.900 -0.007 0.000 0.863 530 Y CA 2.265 60.343 58.100 -0.038 0.000 3.273 530 Y CB -0.509 37.907 38.460 -0.074 0.000 0.644 530 Y HN 0.230 8.587 8.280 0.129 0.000 0.570 531 C N -7.774 111.340 119.300 -0.309 0.000 3.809 531 C HA 0.330 nan 4.460 nan 0.000 0.342 531 C C -1.035 173.922 174.990 -0.055 0.000 2.837 531 C CA -1.820 57.015 59.018 -0.305 0.000 1.561 531 C CB -0.120 27.326 27.740 -0.490 0.000 3.062 531 C HN -0.244 7.871 8.230 -0.086 0.062 0.382 532 S N 0.380 116.106 115.700 0.043 0.000 2.462 532 S HA 0.167 nan 4.470 nan 0.000 0.269 532 S C -0.830 173.995 174.600 0.374 0.000 1.005 532 S CA 1.648 59.967 58.200 0.198 0.000 1.260 532 S CB 1.358 64.590 63.200 0.052 0.000 0.990 532 S HN 0.240 8.567 8.310 0.029 0.000 0.477 533 C N -0.226 119.244 119.300 0.284 0.000 2.551 533 C HA 0.303 nan 4.460 nan 0.000 0.377 533 C C -0.642 174.631 174.990 0.472 0.000 1.622 533 C CA 0.142 59.415 59.018 0.424 0.000 1.980 533 C CB 1.915 29.825 27.740 0.284 0.000 1.946 533 C HN -0.319 7.895 8.230 0.156 0.110 0.525 534 G N 0.323 109.502 108.800 0.632 0.000 2.721 534 G HA2 -0.313 nan 3.960 nan 0.000 0.686 534 G HA3 -0.313 nan 3.960 nan 0.000 0.686 534 G C -1.605 173.481 174.900 0.309 0.000 1.236 534 G CA -0.542 44.803 45.100 0.407 0.000 0.786 534 G HN -0.078 8.695 8.290 0.805 0.000 0.616 535 W N 1.935 123.218 121.300 -0.027 0.000 2.190 535 W HA 0.027 nan 4.660 nan 0.000 0.330 535 W C -1.249 175.284 176.519 0.024 0.000 1.299 535 W CA -1.878 55.438 57.345 -0.048 0.000 1.215 535 W CB 1.167 30.716 29.460 0.148 0.000 1.147 535 W HN 0.685 9.032 8.180 0.406 0.076 0.563 536 P HA -0.125 nan 4.420 nan 0.000 0.268 536 P C -0.401 176.871 177.300 -0.046 0.000 1.208 536 P CA 0.032 63.017 63.100 -0.192 0.000 0.777 536 P CB 0.537 31.963 31.700 -0.455 0.000 0.875 537 E N 4.140 124.383 120.200 0.073 0.000 2.016 537 E HA -0.392 nan 4.350 nan 0.000 0.190 537 E C 1.139 177.926 176.600 0.313 0.000 0.985 537 E CA 3.424 59.975 56.400 0.252 0.000 0.802 537 E CB -0.137 29.730 29.700 0.278 0.000 0.762 537 E HN 0.642 9.047 8.360 0.076 0.000 0.448 538 H N -3.506 115.642 119.070 0.130 0.000 2.520 538 H HA -0.176 nan 4.556 nan 0.000 0.295 538 H C 0.192 175.698 175.328 0.296 0.000 1.096 538 H CA 2.125 58.254 56.048 0.135 0.000 1.249 538 H CB -1.050 28.686 29.762 -0.044 0.000 1.365 538 H HN 0.246 8.729 8.280 0.339 0.000 0.556 539 M N -2.258 117.402 119.600 0.100 0.000 2.475 539 M HA 0.192 nan 4.480 nan 0.000 0.283 539 M C -0.161 176.391 176.300 0.421 0.000 1.165 539 M CA -2.644 52.832 55.300 0.293 0.000 0.976 539 M CB -0.748 32.002 32.600 0.251 0.000 1.428 539 M HN -0.733 7.445 8.290 -0.086 0.060 0.495 540 L N 1.190 122.629 121.223 0.361 0.000 2.131 540 L HA -0.187 nan 4.340 nan 0.000 0.210 540 L C -1.121 175.796 176.870 0.079 0.000 1.092 540 L CA 2.802 57.794 54.840 0.253 0.000 0.759 540 L CB 0.489 42.675 42.059 0.212 0.000 0.903 540 L HN -0.146 8.151 8.230 0.408 0.178 0.435 541 I N -3.590 116.953 120.570 -0.045 0.000 2.478 541 I HA 0.209 nan 4.170 nan 0.000 0.287 541 I C -2.600 173.472 176.117 -0.076 0.000 1.042 541 I CA -3.326 57.887 61.300 -0.145 0.000 1.067 541 I CB 1.867 39.644 38.000 -0.373 0.000 1.233 541 I HN -0.545 7.660 8.210 0.026 0.020 0.431 542 P HA 0.006 nan 4.420 nan 0.000 0.270 542 P C -1.407 175.824 177.300 -0.116 0.000 1.221 542 P CA -0.233 62.822 63.100 -0.075 0.000 0.788 542 P CB 0.683 32.321 31.700 -0.102 0.000 0.904 543 R N 1.411 121.864 120.500 -0.080 0.000 2.127 543 R HA -0.377 nan 4.340 nan 0.000 0.238 543 R C 0.820 177.094 176.300 -0.043 0.000 1.134 543 R CA 1.894 57.914 56.100 -0.134 0.000 0.975 543 R CB 0.463 30.500 30.300 -0.438 0.000 0.865 543 R HN 0.234 8.837 8.270 -0.031 -0.352 0.447 544 G N -2.317 106.488 108.800 0.009 0.000 2.561 544 G HA2 -0.412 nan 3.960 nan 0.000 0.289 544 G HA3 -0.412 nan 3.960 nan 0.000 0.289 544 G C -1.057 173.916 174.900 0.121 0.000 1.169 544 G CA 0.192 45.391 45.100 0.165 0.000 0.980 544 G HN -0.521 7.741 8.290 0.012 0.035 0.550 545 S N -0.549 115.229 115.700 0.129 0.000 2.625 545 S HA 0.275 nan 4.470 nan 0.000 0.271 545 S C 0.188 174.883 174.600 0.160 0.000 1.161 545 S CA -1.038 57.232 58.200 0.116 0.000 0.820 545 S CB 2.817 66.061 63.200 0.074 0.000 1.137 545 S HN -0.465 7.927 8.310 0.137 0.000 0.470 546 H N 4.001 123.135 119.070 0.107 0.000 2.423 546 H HA -0.172 nan 4.556 nan 0.000 0.297 546 H C -0.410 174.952 175.328 0.057 0.000 1.075 546 H CA 2.363 58.470 56.048 0.099 0.000 1.342 546 H CB 0.325 30.140 29.762 0.088 0.000 1.395 546 H HN 0.662 9.084 8.280 0.237 0.000 0.530 547 K N -5.170 115.179 120.400 -0.085 0.000 2.147 547 K HA -0.188 nan 4.320 nan 0.000 0.205 547 K C 0.400 176.949 176.600 -0.086 0.000 1.049 547 K CA 0.474 56.700 56.287 -0.102 0.000 0.936 547 K CB -0.110 32.368 32.500 -0.036 0.000 0.722 547 K HN -0.216 8.029 8.250 0.027 0.021 0.446 548 G N 0.836 109.616 108.800 -0.033 0.000 3.055 548 G HA2 -0.289 nan 3.960 nan 0.000 0.654 548 G HA3 -0.289 nan 3.960 nan 0.000 0.654 548 G C -1.401 173.552 174.900 0.088 0.000 1.134 548 G CA -0.600 44.512 45.100 0.020 0.000 1.049 548 G HN -0.587 7.519 8.290 -0.019 0.173 0.458 549 M N 2.571 122.273 119.600 0.170 0.000 2.283 549 M HA 0.150 nan 4.480 nan 0.000 0.314 549 M C -2.081 174.446 176.300 0.379 0.000 1.153 549 M CA -0.467 54.981 55.300 0.247 0.000 1.084 549 M CB 3.175 35.962 32.600 0.311 0.000 1.468 549 M HN 0.199 8.596 8.290 0.177 0.000 0.474 550 E N 0.680 121.048 120.200 0.279 0.000 2.224 550 E HA 0.705 nan 4.350 nan 0.000 0.265 550 E C -1.449 175.142 176.600 -0.014 0.000 0.878 550 E CA -1.142 55.378 56.400 0.199 0.000 0.759 550 E CB 2.607 32.392 29.700 0.141 0.000 1.164 550 E HN 0.144 8.596 8.360 0.154 0.000 0.414 551 F N 4.519 124.453 119.950 -0.025 0.000 2.814 551 F HA 0.701 nan 4.527 nan 0.000 0.353 551 F C -1.333 174.439 175.800 -0.046 0.000 1.177 551 F CA -1.333 56.644 58.000 -0.039 0.000 1.036 551 F CB 5.005 43.995 39.000 -0.017 0.000 1.455 551 F HN 0.820 9.275 8.300 0.259 0.000 0.520 552 E N -0.394 119.923 120.200 0.195 0.000 2.265 552 E HA 0.351 nan 4.350 nan 0.000 0.262 552 E C -2.026 174.723 176.600 0.247 0.000 0.889 552 E CA -1.344 55.129 56.400 0.121 0.000 0.789 552 E CB 3.574 33.273 29.700 -0.001 0.000 1.221 552 E HN 0.530 8.980 8.360 0.290 0.084 0.414 553 L N 8.395 129.774 121.223 0.259 0.000 2.287 553 L HA 0.374 nan 4.340 nan 0.000 0.280 553 L C -2.192 174.938 176.870 0.432 0.000 1.055 553 L CA -0.766 54.295 54.840 0.368 0.000 0.863 553 L CB 1.002 43.272 42.059 0.351 0.000 1.245 553 L HN 0.074 8.417 8.230 0.189 0.000 0.432 554 F N 8.960 129.157 119.950 0.412 0.000 2.411 554 F HA 0.518 nan 4.527 nan 0.000 0.352 554 F C -1.817 174.234 175.800 0.418 0.000 1.123 554 F CA -2.805 55.435 58.000 0.400 0.000 1.044 554 F CB 2.052 41.332 39.000 0.466 0.000 1.135 554 F HN 0.387 9.008 8.300 0.741 0.123 0.461 555 V N 8.125 128.455 119.914 0.694 0.000 2.630 555 V HA 0.642 nan 4.120 nan 0.000 0.305 555 V C -2.064 174.208 176.094 0.297 0.000 1.046 555 V CA -1.846 60.690 62.300 0.394 0.000 0.934 555 V CB 2.598 34.569 31.823 0.246 0.000 1.003 555 V HN 0.979 9.499 8.190 0.742 0.116 0.451 556 M N 3.586 123.271 119.600 0.142 0.000 2.530 556 M HA 0.739 nan 4.480 nan 0.000 0.307 556 M C -2.237 174.056 176.300 -0.012 0.000 1.161 556 M CA -1.494 53.820 55.300 0.022 0.000 0.903 556 M CB 4.437 36.970 32.600 -0.111 0.000 1.711 556 M HN 0.671 9.049 8.290 0.147 0.000 0.451 557 L N 5.190 126.408 121.223 -0.007 0.000 2.316 557 L HA 0.593 nan 4.340 nan 0.000 0.280 557 L C -1.759 174.944 176.870 -0.278 0.000 1.006 557 L CA -0.651 54.139 54.840 -0.084 0.000 0.836 557 L CB 0.887 43.026 42.059 0.133 0.000 1.221 557 L HN 0.566 8.824 8.230 0.047 0.000 0.418 558 T N 4.801 119.099 114.554 -0.428 0.000 2.937 558 T HA 0.373 nan 4.350 nan 0.000 0.283 558 T C -1.526 172.592 174.700 -0.970 0.000 1.012 558 T CA -1.651 60.107 62.100 -0.569 0.000 0.997 558 T CB 2.011 70.751 68.868 -0.213 0.000 1.136 558 T HN 0.484 8.554 8.240 -0.282 0.000 0.551 559 D N 0.385 120.343 120.400 -0.737 0.000 2.255 559 D HA 0.233 nan 4.640 nan 0.000 0.249 559 D C 0.157 176.345 176.300 -0.186 0.000 1.078 559 D CA -0.543 53.175 54.000 -0.471 0.000 0.896 559 D CB 1.792 42.563 40.800 -0.049 0.000 1.194 559 D HN 0.308 8.412 8.370 -0.444 0.000 0.429 560 H N 5.455 124.480 119.070 -0.074 0.000 2.448 560 H HA -0.092 nan 4.556 nan 0.000 0.292 560 H C 2.040 177.276 175.328 -0.155 0.000 1.035 560 H CA 3.114 59.105 56.048 -0.095 0.000 1.349 560 H CB 0.955 30.699 29.762 -0.031 0.000 1.425 560 H HN 0.345 8.648 8.280 0.183 0.087 0.539 561 D N -1.160 119.158 120.400 -0.136 0.000 2.183 561 D HA -0.179 nan 4.640 nan 0.000 0.203 561 D C 1.333 177.523 176.300 -0.183 0.000 0.969 561 D CA 3.052 56.948 54.000 -0.174 0.000 0.842 561 D CB -0.264 40.514 40.800 -0.037 0.000 0.957 561 D HN -0.045 8.602 8.370 0.052 -0.245 0.484 562 E N 0.053 120.165 120.200 -0.148 0.000 2.015 562 E HA -0.264 nan 4.350 nan 0.000 0.191 562 E C 1.113 177.571 176.600 -0.237 0.000 0.991 562 E CA 2.461 58.766 56.400 -0.159 0.000 0.802 562 E CB 0.404 30.027 29.700 -0.129 0.000 0.759 562 E HN -0.761 7.758 8.360 -0.091 -0.213 0.447 563 D N -3.190 117.028 120.400 -0.303 0.000 2.178 563 D HA -0.041 nan 4.640 nan 0.000 0.201 563 D C 0.630 176.697 176.300 -0.389 0.000 0.980 563 D CA 1.746 55.550 54.000 -0.326 0.000 0.842 563 D CB 0.604 41.230 40.800 -0.288 0.000 0.948 563 D HN -0.316 7.769 8.370 -0.293 0.109 0.472 564 T N 0.979 115.181 114.554 -0.587 0.000 2.814 564 T HA -0.001 nan 4.350 nan 0.000 0.297 564 T C 0.505 175.040 174.700 -0.275 0.000 0.956 564 T CA 0.500 62.305 62.100 -0.492 0.000 1.123 564 T CB 0.418 68.922 68.868 -0.608 0.000 0.902 564 T HN -0.401 7.343 8.240 -0.676 0.091 0.528 565 V N 4.122 123.923 119.914 -0.189 0.000 2.694 565 V HA -0.030 nan 4.120 nan 0.000 0.306 565 V C -0.759 175.263 176.094 -0.120 0.000 1.054 565 V CA -0.437 61.787 62.300 -0.127 0.000 1.161 565 V CB 0.233 32.006 31.823 -0.083 0.000 0.916 565 V HN -0.314 7.767 8.190 -0.182 0.000 0.490 566 A N 4.794 127.554 122.820 -0.098 0.000 2.303 566 A HA 0.463 nan 4.320 nan 0.000 0.317 566 A C -0.634 176.916 177.584 -0.057 0.000 1.149 566 A CA -0.208 51.779 52.037 -0.083 0.000 0.822 566 A CB 1.099 20.052 19.000 -0.078 0.000 1.131 566 A HN 0.315 8.410 8.150 -0.091 0.000 0.493 567 G N -0.047 108.724 108.800 -0.049 0.000 2.313 567 G HA2 0.014 nan 3.960 nan 0.000 0.296 567 G HA3 0.014 nan 3.960 nan 0.000 0.296 567 G C -2.280 172.601 174.900 -0.030 0.000 1.356 567 G CA -0.097 44.983 45.100 -0.034 0.000 0.833 567 G HN -0.081 8.177 8.290 -0.053 0.000 0.552 568 L N 0.512 121.722 121.223 -0.022 0.000 2.406 568 L HA 0.410 nan 4.340 nan 0.000 0.270 568 L C -0.502 176.359 176.870 -0.014 0.000 0.982 568 L CA 0.281 55.109 54.840 -0.019 0.000 0.843 568 L CB 1.388 43.438 42.059 -0.016 0.000 1.225 568 L HN 0.277 8.497 8.230 -0.018 0.000 0.412 569 S N 3.764 119.455 115.700 -0.015 0.000 3.576 569 S HA 0.161 nan 4.470 nan 0.000 0.179 569 S C -0.937 173.657 174.600 -0.011 0.000 0.977 569 S CA -0.583 57.611 58.200 -0.012 0.000 1.189 569 S CB 0.837 64.030 63.200 -0.012 0.000 1.443 569 S HN 0.550 8.849 8.310 -0.018 0.000 0.874 570 E N 0.429 120.622 120.200 -0.010 0.000 2.446 570 E HA 0.207 nan 4.350 nan 0.000 0.269 570 E C -1.669 174.927 176.600 -0.006 0.000 0.977 570 E CA -0.301 56.093 56.400 -0.009 0.000 0.854 570 E CB 1.474 31.169 29.700 -0.008 0.000 1.545 570 E HN 0.041 8.395 8.360 -0.011 0.000 0.448 571 N N -0.293 118.404 118.700 -0.005 0.000 2.250 571 N HA -0.137 nan 4.740 nan 0.000 0.256 571 N C -1.422 174.090 175.510 0.003 0.000 1.302 571 N CA 0.078 53.127 53.050 -0.001 0.000 0.894 571 N CB 0.355 38.840 38.487 -0.002 0.000 1.067 571 N HN 0.017 8.392 8.380 -0.007 0.000 0.487 572 A N -1.869 120.954 122.820 0.006 0.000 2.404 572 A HA 0.049 nan 4.320 nan 0.000 0.273 572 A C -1.378 176.213 177.584 0.011 0.000 1.144 572 A CA 0.249 52.291 52.037 0.010 0.000 0.806 572 A CB 0.462 19.468 19.000 0.010 0.000 1.080 572 A HN 0.007 8.161 8.150 0.006 0.000 0.509 573 V N 4.137 124.060 119.914 0.015 0.000 5.000 573 V HA 0.167 nan 4.120 nan 0.000 0.311 573 V C -0.502 175.611 176.094 0.032 0.000 1.608 573 V CA -0.656 61.658 62.300 0.023 0.000 0.814 573 V CB 1.909 33.742 31.823 0.016 0.000 1.241 573 V HN -0.082 8.116 8.190 0.014 0.000 0.451 574 C N 3.723 123.048 119.300 0.042 0.000 3.424 574 C HA 0.234 nan 4.460 nan 0.000 0.577 574 C C 0.177 175.191 174.990 0.039 0.000 1.086 574 C CA -0.327 58.719 59.018 0.047 0.000 1.153 574 C CB -3.324 24.452 27.740 0.060 0.000 1.411 574 C HN 0.463 8.717 8.230 0.040 0.000 0.636 575 S N 3.246 118.965 115.700 0.031 0.000 2.559 575 S HA 0.152 nan 4.470 nan 0.000 0.226 575 S C 0.711 175.330 174.600 0.032 0.000 1.000 575 S CA 1.381 59.598 58.200 0.028 0.000 0.948 575 S CB 1.243 64.451 63.200 0.013 0.000 0.870 575 S HN 0.215 8.450 8.310 0.026 0.091 0.497 576 D N 3.050 123.469 120.400 0.032 0.000 2.103 576 D HA -0.248 nan 4.640 nan 0.000 0.190 576 D C 0.262 176.587 176.300 0.041 0.000 0.997 576 D CA 3.021 57.036 54.000 0.025 0.000 0.833 576 D CB -0.216 40.593 40.800 0.016 0.000 0.961 576 D HN -0.131 8.201 8.370 0.031 0.056 0.447 577 A N -0.782 122.085 122.820 0.079 0.000 2.728 577 A HA 0.092 nan 4.320 nan 0.000 0.258 577 A C 1.263 178.931 177.584 0.140 0.000 1.454 577 A CA -0.194 51.910 52.037 0.111 0.000 1.146 577 A CB -1.292 17.827 19.000 0.199 0.000 0.985 577 A HN -0.154 8.048 8.150 0.086 0.000 0.603 578 V N -2.306 117.660 119.914 0.085 0.000 2.380 578 V HA -0.437 nan 4.120 nan 0.000 0.251 578 V C 1.303 177.506 176.094 0.183 0.000 1.063 578 V CA 2.689 65.033 62.300 0.074 0.000 1.055 578 V CB -1.231 30.559 31.823 -0.055 0.000 0.657 578 V HN 0.215 8.360 8.190 0.049 0.075 0.455 579 S N 2.875 118.697 115.700 0.203 0.000 2.363 579 S HA -0.256 nan 4.470 nan 0.000 0.218 579 S C 1.629 176.630 174.600 0.668 0.000 1.035 579 S CA 3.124 61.580 58.200 0.427 0.000 1.043 579 S CB 0.075 63.365 63.200 0.151 0.000 0.986 579 S HN 0.156 8.517 8.310 0.087 0.000 0.423 580 Y N -2.556 117.956 120.300 0.352 0.000 2.583 580 Y HA 0.022 nan 4.550 nan 0.000 0.293 580 Y C 0.085 176.293 175.900 0.513 0.000 1.157 580 Y CA -0.062 58.222 58.100 0.307 0.000 1.315 580 Y CB -0.313 38.212 38.460 0.108 0.000 1.021 580 Y HN 0.085 8.517 8.280 0.255 0.000 0.536 581 C N -4.845 114.867 119.300 0.687 0.000 3.217 581 C HA 0.401 nan 4.460 nan 0.000 0.220 581 C C -0.838 174.447 174.990 0.492 0.000 2.519 581 C CA -0.002 59.412 59.018 0.661 0.000 1.255 581 C CB 3.194 31.285 27.740 0.585 0.000 1.291 581 C HN -0.565 7.918 8.230 0.603 0.109 0.714 582 G N -0.810 108.207 108.800 0.361 0.000 2.240 582 G HA2 -0.092 nan 3.960 nan 0.000 0.199 582 G HA3 -0.092 nan 3.960 nan 0.000 0.199 582 G C -2.720 172.264 174.900 0.139 0.000 1.342 582 G CA 0.174 45.430 45.100 0.261 0.000 1.145 582 G HN 0.121 8.503 8.290 0.322 0.101 0.477 583 A N -0.329 122.549 122.820 0.095 0.000 2.609 583 A HA 0.240 nan 4.320 nan 0.000 0.291 583 A C -1.839 175.760 177.584 0.026 0.000 1.096 583 A CA -0.846 51.219 52.037 0.045 0.000 0.684 583 A CB 2.475 21.487 19.000 0.019 0.000 1.282 583 A HN 0.055 8.274 8.150 0.115 0.000 0.412 584 R N -0.286 120.218 120.500 0.006 0.000 2.407 584 R HA 0.092 nan 4.340 nan 0.000 0.303 584 R C -0.619 175.675 176.300 -0.011 0.000 0.981 584 R CA 0.084 56.175 56.100 -0.014 0.000 0.905 584 R CB 0.683 30.966 30.300 -0.030 0.000 1.099 584 R HN 0.478 8.753 8.270 0.008 0.000 0.459 585 D N 0.422 120.811 120.400 -0.017 0.000 2.713 585 D HA -0.312 nan 4.640 nan 0.000 0.231 585 D C -1.487 174.813 176.300 -0.001 0.000 1.173 585 D CA 1.504 55.498 54.000 -0.011 0.000 0.628 585 D CB -0.425 40.370 40.800 -0.007 0.000 1.033 585 D HN 0.252 8.603 8.370 -0.031 0.000 0.419 586 D N -2.075 118.329 120.400 0.007 0.000 2.732 586 D HA 0.240 nan 4.640 nan 0.000 0.292 586 D C -1.618 174.699 176.300 0.029 0.000 1.135 586 D CA -1.551 52.455 54.000 0.009 0.000 1.071 586 D CB 2.467 43.267 40.800 0.000 0.000 1.457 586 D HN -0.444 7.919 8.370 0.011 0.013 0.547 587 R N -0.288 120.229 120.500 0.027 0.000 2.719 587 R HA 0.234 nan 4.340 nan 0.000 0.233 587 R C -0.674 175.675 176.300 0.082 0.000 1.257 587 R CA -1.569 54.568 56.100 0.061 0.000 1.109 587 R CB 1.855 32.181 30.300 0.042 0.000 1.447 587 R HN 0.207 8.481 8.270 0.007 0.000 0.537 588 Y N 2.120 122.430 120.300 0.017 0.000 2.637 588 Y HA 0.102 nan 4.550 nan 0.000 0.350 588 Y C -1.310 174.583 175.900 -0.012 0.000 1.069 588 Y CA -1.211 56.899 58.100 0.016 0.000 1.397 588 Y CB 0.422 38.887 38.460 0.008 0.000 1.163 588 Y HN 0.153 8.569 8.280 0.226 0.000 0.527 589 P HA -0.279 nan 4.420 nan 0.000 0.227 589 P C -1.626 175.571 177.300 -0.171 0.000 1.145 589 P CA 1.393 64.364 63.100 -0.216 0.000 0.769 589 P CB -0.104 31.464 31.700 -0.220 0.000 0.769 590 D N -3.528 116.786 120.400 -0.143 0.000 2.391 590 D HA 0.191 nan 4.640 nan 0.000 0.245 590 D C -0.517 175.789 176.300 0.010 0.000 1.069 590 D CA -2.271 51.693 54.000 -0.060 0.000 0.831 590 D CB 2.581 43.391 40.800 0.016 0.000 1.204 590 D HN -0.523 7.666 8.370 -0.108 0.117 0.503 591 K N 6.322 126.657 120.400 -0.109 0.000 2.059 591 K HA -0.347 nan 4.320 nan 0.000 0.212 591 K C 0.622 177.118 176.600 -0.173 0.000 1.050 591 K CA 1.934 58.135 56.287 -0.144 0.000 0.927 591 K CB 0.265 32.640 32.500 -0.208 0.000 0.714 591 K HN -0.084 8.072 8.250 -0.157 0.000 0.447 592 K N -2.354 117.889 120.400 -0.261 0.000 2.168 592 K HA -0.021 nan 4.320 nan 0.000 0.258 592 K C -0.079 176.402 176.600 -0.198 0.000 1.010 592 K CA -0.479 55.576 56.287 -0.387 0.000 0.929 592 K CB 0.577 32.525 32.500 -0.920 0.000 0.998 592 K HN -0.623 7.763 8.250 -0.234 -0.276 0.479 593 A N 2.199 124.930 122.820 -0.148 0.000 2.540 593 A HA -0.062 nan 4.320 nan 0.000 0.239 593 A C -0.138 177.376 177.584 -0.117 0.000 1.061 593 A CA 0.431 52.421 52.037 -0.078 0.000 0.758 593 A CB 0.481 19.520 19.000 0.065 0.000 0.991 593 A HN 0.441 8.491 8.150 -0.166 0.000 0.502 594 M N 3.530 122.904 119.600 -0.377 0.000 2.427 594 M HA -0.276 nan 4.480 nan 0.000 0.345 594 M C 0.895 176.904 176.300 -0.485 0.000 1.653 594 M CA 1.925 56.754 55.300 -0.785 0.000 1.138 594 M CB -0.579 31.065 32.600 -1.594 0.000 1.995 594 M HN 0.426 8.479 8.290 -0.396 0.000 0.459 595 G N 1.400 110.169 108.800 -0.051 0.000 3.134 595 G HA2 -0.196 nan 3.960 nan 0.000 0.195 595 G HA3 -0.196 nan 3.960 nan 0.000 0.195 595 G C -0.682 174.402 174.900 0.306 0.000 1.054 595 G CA -0.530 44.760 45.100 0.317 0.000 0.828 595 G HN -0.059 8.221 8.290 -0.016 0.000 0.462 596 F N 5.392 125.360 119.950 0.030 0.000 2.548 596 F HA -0.148 nan 4.527 nan 0.000 0.403 596 F C -1.786 173.848 175.800 -0.277 0.000 1.004 596 F CA -0.265 57.644 58.000 -0.151 0.000 1.177 596 F CB 0.836 39.736 39.000 -0.167 0.000 0.974 596 F HN -0.328 8.142 8.300 0.284 0.000 0.541 597 P HA -0.200 nan 4.420 nan 0.000 0.223 597 P C 0.037 176.783 177.300 -0.923 0.000 1.151 597 P CA 2.009 64.097 63.100 -1.686 0.000 0.787 597 P CB 0.144 30.783 31.700 -1.767 0.000 0.788 598 F N -2.298 117.398 119.950 -0.424 0.000 2.757 598 F HA 0.046 nan 4.527 nan 0.000 0.292 598 F C -0.065 175.715 175.800 -0.034 0.000 1.204 598 F CA -0.963 56.830 58.000 -0.346 0.000 1.417 598 F CB -1.968 36.607 39.000 -0.707 0.000 1.001 598 F HN 0.128 7.793 8.300 -0.834 0.134 0.508 599 D N 0.303 120.817 120.400 0.190 0.000 2.137 599 D HA -0.158 nan 4.640 nan 0.000 0.202 599 D C 0.592 177.006 176.300 0.190 0.000 0.970 599 D CA 2.434 56.594 54.000 0.267 0.000 0.837 599 D CB 0.247 41.242 40.800 0.325 0.000 0.981 599 D HN -0.079 8.272 8.370 0.143 0.105 0.475 600 R N -1.408 119.181 120.500 0.149 0.000 2.602 600 R HA 0.169 nan 4.340 nan 0.000 0.237 600 R C -1.314 174.985 176.300 -0.002 0.000 1.219 600 R CA -1.105 55.010 56.100 0.025 0.000 1.121 600 R CB 1.690 31.909 30.300 -0.135 0.000 1.408 600 R HN -0.888 7.521 8.270 0.232 0.000 0.559 601 K N -0.229 120.148 120.400 -0.038 0.000 2.401 601 K HA -0.129 nan 4.320 nan 0.000 0.278 601 K C -0.152 176.435 176.600 -0.022 0.000 1.018 601 K CA 0.889 57.160 56.287 -0.028 0.000 0.981 601 K CB 0.131 32.611 32.500 -0.033 0.000 0.933 601 K HN 0.185 8.397 8.250 -0.062 0.000 0.477 602 I N 6.794 127.340 120.570 -0.041 0.000 2.382 602 I HA -0.009 nan 4.170 nan 0.000 0.286 602 I C -0.938 175.178 176.117 -0.001 0.000 1.002 602 I CA -0.695 60.572 61.300 -0.054 0.000 1.135 602 I CB 1.045 38.904 38.000 -0.236 0.000 1.288 602 I HN 0.331 8.856 8.210 -0.039 -0.339 0.448 603 E N 6.247 126.475 120.200 0.047 0.000 2.427 603 E HA -0.111 nan 4.350 nan 0.000 0.196 603 E C -0.453 176.180 176.600 0.055 0.000 1.028 603 E CA 0.452 56.881 56.400 0.049 0.000 0.864 603 E CB 0.187 29.925 29.700 0.063 0.000 0.813 603 E HN 0.415 8.821 8.360 0.077 0.000 0.514 604 A N -2.370 120.496 122.820 0.077 0.000 2.340 604 A HA 0.175 nan 4.320 nan 0.000 0.268 604 A C 0.302 177.921 177.584 0.058 0.000 1.100 604 A CA -0.073 52.019 52.037 0.092 0.000 0.803 604 A CB 0.844 19.946 19.000 0.170 0.000 1.043 604 A HN -0.456 7.679 8.150 0.082 0.064 0.488 605 R N -1.028 119.503 120.500 0.053 0.000 2.210 605 R HA 0.008 nan 4.340 nan 0.000 0.203 605 R C 0.268 176.587 176.300 0.031 0.000 1.010 605 R CA 0.569 56.688 56.100 0.031 0.000 1.008 605 R CB 0.271 30.585 30.300 0.023 0.000 0.923 605 R HN -0.118 8.606 8.270 0.062 -0.417 0.469 606 T N -2.431 112.158 114.554 0.059 0.000 2.876 606 T HA 0.320 nan 4.350 nan 0.000 0.289 606 T C -0.644 174.137 174.700 0.134 0.000 1.014 606 T CA -1.795 60.342 62.100 0.062 0.000 0.986 606 T CB 2.782 71.670 68.868 0.034 0.000 1.021 606 T HN -0.669 7.841 8.240 0.076 -0.223 0.458 607 A N 7.844 130.750 122.820 0.143 0.000 2.093 607 A HA -0.241 nan 4.320 nan 0.000 0.222 607 A C 0.614 178.347 177.584 0.249 0.000 1.162 607 A CA 2.909 55.124 52.037 0.297 0.000 0.655 607 A CB -0.240 18.899 19.000 0.232 0.000 0.805 607 A HN 0.531 8.729 8.150 0.080 0.000 0.461 608 A N -2.408 120.476 122.820 0.108 0.000 1.929 608 A HA -0.205 nan 4.320 nan 0.000 0.216 608 A C 2.398 180.069 177.584 0.145 0.000 1.176 608 A CA 2.276 54.361 52.037 0.079 0.000 0.628 608 A CB 0.130 19.145 19.000 0.025 0.000 0.816 608 A HN -0.274 7.890 8.150 0.068 0.027 0.444 609 E N -0.125 120.176 120.200 0.169 0.000 2.153 609 E HA -0.321 nan 4.350 nan 0.000 0.194 609 E C 1.761 178.508 176.600 0.245 0.000 0.988 609 E CA 2.354 58.857 56.400 0.172 0.000 0.811 609 E CB -0.134 29.662 29.700 0.159 0.000 0.746 609 E HN -0.409 7.936 8.360 0.160 0.112 0.466 610 F N -2.660 117.383 119.950 0.156 0.000 2.699 610 F HA -0.171 nan 4.527 nan 0.000 0.298 610 F C -0.544 175.385 175.800 0.215 0.000 1.154 610 F CA 0.597 58.708 58.000 0.185 0.000 1.457 610 F CB 0.756 39.914 39.000 0.264 0.000 1.106 610 F HN -0.920 7.641 8.300 0.465 0.018 0.585 611 L N 1.124 122.499 121.223 0.253 0.000 2.530 611 L HA -0.152 nan 4.340 nan 0.000 0.273 611 L C -0.913 175.975 176.870 0.031 0.000 1.141 611 L CA 0.131 55.076 54.840 0.175 0.000 0.905 611 L CB 0.313 42.450 42.059 0.131 0.000 1.202 611 L HN -0.706 7.489 8.230 0.262 0.193 0.473 612 T N 3.565 118.102 114.554 -0.027 0.000 2.902 612 T HA 0.484 nan 4.350 nan 0.000 0.280 612 T C -0.679 174.037 174.700 0.027 0.000 0.992 612 T CA -2.939 59.140 62.100 -0.034 0.000 1.015 612 T CB -0.087 68.724 68.868 -0.095 0.000 1.044 612 T HN -0.418 7.784 8.240 -0.063 0.000 0.520 613 P HA -0.046 nan 4.420 nan 0.000 0.236 613 P C -0.991 176.348 177.300 0.064 0.000 1.172 613 P CA 1.545 64.669 63.100 0.040 0.000 0.759 613 P CB -0.401 31.310 31.700 0.020 0.000 0.843 614 N N -6.260 112.488 118.700 0.081 0.000 2.328 614 N HA 0.097 nan 4.740 nan 0.000 0.247 614 N C -1.800 173.779 175.510 0.115 0.000 1.165 614 N CA -1.021 52.105 53.050 0.127 0.000 0.873 614 N CB 0.134 38.749 38.487 0.213 0.000 1.125 614 N HN 0.194 8.534 8.380 0.057 0.074 0.513 615 M N -0.771 118.914 119.600 0.142 0.000 2.619 615 M HA 0.530 nan 4.480 nan 0.000 0.297 615 M C -1.458 175.024 176.300 0.303 0.000 1.229 615 M CA -0.355 55.107 55.300 0.270 0.000 0.860 615 M CB 5.330 38.141 32.600 0.352 0.000 1.741 615 M HN -0.004 8.210 8.290 0.124 0.150 0.462 616 G N 0.208 109.248 108.800 0.399 0.000 2.635 616 G HA2 0.222 nan 3.960 nan 0.000 0.295 616 G HA3 0.222 nan 3.960 nan 0.000 0.295 616 G C -3.003 171.935 174.900 0.064 0.000 1.359 616 G CA 0.402 45.598 45.100 0.160 0.000 1.232 616 G HN 0.236 8.933 8.290 0.679 0.000 0.597 617 L N 3.403 124.487 121.223 -0.232 0.000 2.292 617 L HA 0.579 nan 4.340 nan 0.000 0.284 617 L C -0.634 176.213 176.870 -0.037 0.000 1.065 617 L CA -0.400 54.290 54.840 -0.249 0.000 0.806 617 L CB 1.175 42.983 42.059 -0.417 0.000 1.175 617 L HN 0.263 8.348 8.230 -0.242 0.000 0.431 618 T N 6.348 120.940 114.554 0.063 0.000 2.892 618 T HA 0.285 nan 4.350 nan 0.000 0.311 618 T C -1.302 173.447 174.700 0.081 0.000 1.033 618 T CA -0.657 61.493 62.100 0.083 0.000 0.991 618 T CB 0.901 69.858 68.868 0.148 0.000 0.981 618 T HN 0.484 8.678 8.240 0.118 0.117 0.457 619 D N 6.189 126.611 120.400 0.037 0.000 2.371 619 D HA 0.046 nan 4.640 nan 0.000 0.256 619 D C -0.731 175.602 176.300 0.056 0.000 1.193 619 D CA -0.168 53.851 54.000 0.031 0.000 0.881 619 D CB 0.276 41.064 40.800 -0.020 0.000 1.143 619 D HN 0.210 8.592 8.370 0.019 0.000 0.473 620 I N -3.730 116.894 120.570 0.090 0.000 2.785 620 I HA 0.479 nan 4.170 nan 0.000 0.302 620 I C -1.455 174.732 176.117 0.116 0.000 1.069 620 I CA -2.881 58.466 61.300 0.078 0.000 1.045 620 I CB 3.392 41.422 38.000 0.050 0.000 1.236 620 I HN -0.434 7.847 8.210 0.118 0.000 0.429 621 K N 1.184 121.622 120.400 0.063 0.000 2.118 621 K HA 0.748 nan 4.320 nan 0.000 0.254 621 K C -1.006 175.585 176.600 -0.014 0.000 0.961 621 K CA -2.336 54.000 56.287 0.082 0.000 0.876 621 K CB 1.818 34.346 32.500 0.047 0.000 1.077 621 K HN 0.417 8.571 8.250 0.026 0.112 0.440 622 I N 1.120 121.688 120.570 -0.002 0.000 2.498 622 I HA 0.552 nan 4.170 nan 0.000 0.290 622 I C -2.068 174.048 176.117 -0.002 0.000 1.032 622 I CA -0.973 60.266 61.300 -0.101 0.000 1.073 622 I CB 2.962 40.787 38.000 -0.291 0.000 1.251 622 I HN 0.720 9.005 8.210 0.125 0.000 0.426 623 K N 3.426 123.824 120.400 -0.003 0.000 2.471 623 K HA 0.554 nan 4.320 nan 0.000 0.252 623 K C -1.593 175.069 176.600 0.103 0.000 0.938 623 K CA -2.369 53.939 56.287 0.035 0.000 0.796 623 K CB 3.033 35.515 32.500 -0.030 0.000 1.161 623 K HN 0.517 8.748 8.250 -0.031 0.000 0.425 624 F N 6.663 126.630 119.950 0.029 0.000 2.502 624 F HA -0.047 nan 4.527 nan 0.000 0.371 624 F C -1.470 174.425 175.800 0.160 0.000 1.083 624 F CA -1.162 56.871 58.000 0.055 0.000 1.174 624 F CB 0.550 39.551 39.000 0.003 0.000 1.096 624 F HN 0.303 8.635 8.300 0.271 0.130 0.545 625 H N 10.814 129.518 119.070 -0.610 0.000 3.215 625 H HA -0.053 nan 4.556 nan 0.000 0.253 625 H C -0.303 174.378 175.328 -1.077 0.000 1.102 625 H CA -0.008 55.697 56.048 -0.572 0.000 1.482 625 H CB -0.184 29.352 29.762 -0.375 0.000 1.542 625 H HN 0.164 8.132 8.280 -0.346 0.104 0.498 626 G N 0.000 108.210 108.800 -0.983 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 44.668 45.100 -0.720 0.000 0.502 626 G HN 0.000 7.994 8.290 -0.493 0.000 0.925