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 3ixv_1_A 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 0.000 174.666 174.700 -0.057 0.000 1.109 1 T CA 0.000 62.080 62.100 -0.034 0.000 1.349 1 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 2 V N 2.634 122.501 119.914 -0.078 0.000 2.343 2 V HA -0.166 nan 4.120 nan 0.000 0.247 2 V C 1.163 177.198 176.094 -0.099 0.000 1.051 2 V CA 3.279 65.511 62.300 -0.114 0.000 1.036 2 V CB -0.315 31.437 31.823 -0.120 0.000 0.654 2 V HN 0.564 8.713 8.190 -0.068 0.000 0.451 3 A N -1.127 121.652 122.820 -0.069 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.047 178.610 177.584 -0.036 0.000 1.181 3 A CA 3.365 55.368 52.037 -0.056 0.000 0.623 3 A CB -0.930 18.048 19.000 -0.037 0.000 0.818 3 A HN -0.080 8.033 8.150 -0.062 0.000 0.443 4 D N -2.336 118.052 120.400 -0.019 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.225 178.540 176.300 0.025 0.000 0.987 4 D CA 3.195 57.202 54.000 0.010 0.000 0.829 4 D CB -0.263 40.550 40.800 0.022 0.000 0.961 4 D HN 0.023 8.254 8.370 -0.027 0.123 0.460 5 K N -0.253 120.143 120.400 -0.008 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.453 179.059 176.600 0.010 0.000 1.049 5 K CA 3.036 59.322 56.287 -0.002 0.000 0.931 5 K CB -0.068 32.314 32.500 -0.195 0.000 0.714 5 K HN -0.544 7.583 8.250 -0.041 0.098 0.440 6 Q N -1.846 117.920 119.800 -0.056 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.434 178.418 176.000 -0.027 0.000 0.978 6 Q CA 2.957 58.714 55.803 -0.076 0.000 0.844 6 Q CB -0.259 28.404 28.738 -0.125 0.000 0.898 6 Q HN -0.021 8.097 8.270 -0.075 0.107 0.426 7 A N -1.083 121.739 122.820 0.003 0.000 1.902 7 A HA -0.273 nan 4.320 nan 0.000 0.217 7 A C 1.267 178.902 177.584 0.084 0.000 1.181 7 A CA 2.719 54.778 52.037 0.036 0.000 0.623 7 A CB -0.707 18.323 19.000 0.050 0.000 0.818 7 A HN -0.247 7.814 8.150 -0.003 0.088 0.443 8 R N -3.157 117.415 120.500 0.120 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.598 179.017 176.300 0.197 0.000 1.127 8 R CA 2.629 58.828 56.100 0.164 0.000 0.968 8 R CB 0.077 30.505 30.300 0.214 0.000 0.861 8 R HN -0.480 7.766 8.270 0.110 0.090 0.440 9 L N -1.014 120.345 121.223 0.227 0.000 2.083 9 L HA -0.298 nan 4.340 nan 0.000 0.209 9 L C 2.666 179.721 176.870 0.308 0.000 1.083 9 L CA 2.974 57.994 54.840 0.299 0.000 0.752 9 L CB -0.393 41.843 42.059 0.296 0.000 0.899 9 L HN -0.227 8.043 8.230 0.195 0.078 0.433 10 M N -1.106 118.566 119.600 0.120 0.000 2.086 10 M HA -0.259 nan 4.480 nan 0.000 0.261 10 M C -0.744 175.725 176.300 0.282 0.000 1.067 10 M CA 5.838 61.144 55.300 0.011 0.000 1.116 10 M CB -2.364 30.020 32.600 -0.361 0.000 1.348 10 M HN -0.241 8.080 8.290 0.051 0.000 0.407 11 P HA -0.160 nan 4.420 nan 0.000 0.225 11 P C 0.493 177.905 177.300 0.185 0.000 1.148 11 P CA 2.324 65.573 63.100 0.248 0.000 0.779 11 P CB -0.816 30.994 31.700 0.184 0.000 0.780 12 L N -3.156 118.159 121.223 0.153 0.000 2.083 12 L HA -0.352 nan 4.340 nan 0.000 0.209 12 L C 1.911 178.747 176.870 -0.056 0.000 1.083 12 L CA 2.665 57.511 54.840 0.011 0.000 0.752 12 L CB -0.280 41.745 42.059 -0.056 0.000 0.899 12 L HN -0.255 7.936 8.230 0.211 0.166 0.433 13 F N -4.826 115.271 119.950 0.245 0.000 2.558 13 F HA -0.218 nan 4.527 nan 0.000 0.298 13 F C 0.065 175.982 175.800 0.195 0.000 1.119 13 F CA 1.565 59.707 58.000 0.237 0.000 1.451 13 F CB -0.165 38.940 39.000 0.176 0.000 1.091 13 F HN -0.754 7.640 8.300 0.342 0.111 0.563 14 K N -2.101 118.505 120.400 0.343 0.000 2.144 14 K HA 0.037 nan 4.320 nan 0.000 0.270 14 K C -0.124 176.615 176.600 0.232 0.000 1.005 14 K CA -0.380 56.080 56.287 0.287 0.000 0.932 14 K CB 0.573 33.304 32.500 0.384 0.000 1.021 14 K HN -0.996 7.260 8.250 0.316 0.184 0.462 15 H N -0.443 118.672 119.070 0.074 0.000 2.692 15 H HA -0.345 nan 4.556 nan 0.000 0.316 15 H C 0.732 176.066 175.328 0.009 0.000 1.176 15 H CA 1.059 57.129 56.048 0.037 0.000 1.142 15 H CB -1.904 27.881 29.762 0.038 0.000 1.475 15 H HN 0.840 9.034 8.280 -0.142 0.000 0.423 16 L N -2.541 118.722 121.223 0.067 0.000 2.083 16 L HA -0.328 nan 4.340 nan 0.000 0.209 16 L C 1.648 178.561 176.870 0.071 0.000 1.083 16 L CA 2.906 57.778 54.840 0.053 0.000 0.752 16 L CB -1.103 41.041 42.059 0.143 0.000 0.899 16 L HN 0.240 8.477 8.230 0.013 0.000 0.433 17 T N -0.981 113.635 114.554 0.103 0.000 2.708 17 T HA -0.311 nan 4.350 nan 0.000 0.266 17 T C 2.153 176.898 174.700 0.074 0.000 1.037 17 T CA 3.974 66.141 62.100 0.111 0.000 1.146 17 T CB -0.714 68.223 68.868 0.115 0.000 0.865 17 T HN 0.189 8.468 8.240 0.083 0.011 0.435 18 A N 1.227 124.098 122.820 0.085 0.000 1.969 18 A HA -0.094 nan 4.320 nan 0.000 0.218 18 A C 1.227 178.822 177.584 0.018 0.000 1.169 18 A CA 1.960 54.034 52.037 0.062 0.000 0.635 18 A CB -0.859 18.199 19.000 0.097 0.000 0.810 18 A HN -0.164 8.039 8.150 0.116 0.016 0.445 19 L N -3.312 117.914 121.223 0.004 0.000 2.349 19 L HA -0.209 nan 4.340 nan 0.000 0.220 19 L C 0.632 177.460 176.870 -0.070 0.000 1.130 19 L CA 1.233 56.039 54.840 -0.056 0.000 0.791 19 L CB -0.160 41.819 42.059 -0.132 0.000 0.918 19 L HN -0.332 7.771 8.230 0.032 0.146 0.444 20 T N -0.682 113.847 114.554 -0.041 0.000 2.905 20 T HA -0.194 nan 4.350 nan 0.000 0.400 20 T C -0.912 173.768 174.700 -0.034 0.000 1.098 20 T CA 0.239 62.318 62.100 -0.035 0.000 1.095 20 T CB 0.171 69.035 68.868 -0.007 0.000 1.281 20 T HN -0.819 7.363 8.240 -0.017 0.047 0.515 21 R N 1.255 121.741 120.500 -0.023 0.000 2.080 21 R HA -0.280 nan 4.340 nan 0.000 0.362 21 R C -1.063 175.215 176.300 -0.037 0.000 1.156 21 R CA 1.091 57.176 56.100 -0.025 0.000 0.964 21 R CB -0.309 29.976 30.300 -0.025 0.000 2.865 21 R HN 0.180 8.441 8.270 -0.014 0.000 0.490 22 E N 4.983 125.163 120.200 -0.034 0.000 2.051 22 E HA -0.258 nan 4.350 nan 0.000 0.192 22 E C -0.696 175.879 176.600 -0.043 0.000 0.991 22 E CA 1.054 57.429 56.400 -0.041 0.000 0.799 22 E CB -0.226 29.456 29.700 -0.030 0.000 0.748 22 E HN 0.196 8.541 8.360 -0.025 0.000 0.449 23 K N -3.461 116.919 120.400 -0.033 0.000 3.088 23 K HA -0.272 nan 4.320 nan 0.000 0.273 23 K C -1.678 174.905 176.600 -0.029 0.000 1.111 23 K CA 0.310 56.579 56.287 -0.031 0.000 0.803 23 K CB -1.269 31.209 32.500 -0.037 0.000 1.226 23 K HN -0.274 7.960 8.250 -0.027 0.000 0.485 24 L N -1.308 119.900 121.223 -0.026 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.515 175.347 176.870 -0.014 0.000 1.004 24 L CA -3.361 51.466 54.840 -0.022 0.000 0.820 24 L CB 1.020 43.064 42.059 -0.025 0.000 1.247 24 L HN -0.396 7.806 8.230 -0.025 0.013 0.416 25 P HA 0.026 nan 4.420 nan 0.000 0.217 25 P C -1.435 175.863 177.300 -0.004 0.000 1.151 25 P CA 1.316 64.412 63.100 -0.006 0.000 0.828 25 P CB 0.409 32.107 31.700 -0.004 0.000 0.788 26 L N -2.225 118.996 121.223 -0.004 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.592 176.277 176.870 -0.002 0.000 0.926 26 L CA -0.812 54.027 54.840 -0.002 0.000 0.885 26 L CB 2.581 44.640 42.059 0.000 0.000 1.380 26 L HN -0.790 7.438 8.230 -0.004 0.000 0.415 27 D N 0.888 121.287 120.400 -0.002 0.000 2.277 27 D HA -0.213 nan 4.640 nan 0.000 0.208 27 D C 0.944 177.245 176.300 0.002 0.000 0.962 27 D CA 2.241 56.240 54.000 -0.002 0.000 0.865 27 D CB 0.042 40.840 40.800 -0.003 0.000 0.939 27 D HN 0.291 8.659 8.370 -0.003 0.000 0.510 28 Q N -0.757 119.045 119.800 0.002 0.000 2.135 28 Q HA -0.277 nan 4.340 nan 0.000 0.204 28 Q C 0.925 176.929 176.000 0.006 0.000 0.981 28 Q CA 1.884 57.689 55.803 0.004 0.000 0.856 28 Q CB -1.145 27.595 28.738 0.003 0.000 0.902 28 Q HN 0.114 8.357 8.270 0.001 0.027 0.425 29 R N -2.196 118.309 120.500 0.008 0.000 2.091 29 R HA -0.128 nan 4.340 nan 0.000 0.238 29 R C 0.013 176.322 176.300 0.015 0.000 1.136 29 R CA 1.813 57.920 56.100 0.011 0.000 0.959 29 R CB -0.331 29.978 30.300 0.015 0.000 0.856 29 R HN 0.061 8.335 8.270 0.006 -0.001 0.437 30 D N 0.377 120.787 120.400 0.016 0.000 2.470 30 D HA 0.094 nan 4.640 nan 0.000 0.226 30 D C -0.783 175.525 176.300 0.012 0.000 1.196 30 D CA 0.446 54.457 54.000 0.018 0.000 0.979 30 D CB -1.352 39.457 40.800 0.014 0.000 1.059 30 D HN -0.350 7.910 8.370 0.012 0.117 0.515 31 E N 2.849 123.057 120.200 0.013 0.000 2.106 31 E HA -0.315 nan 4.350 nan 0.000 0.192 31 E C 2.176 178.783 176.600 0.011 0.000 0.984 31 E CA 3.157 59.563 56.400 0.010 0.000 0.806 31 E CB 0.093 29.799 29.700 0.009 0.000 0.750 31 E HN -0.076 8.246 8.360 0.014 0.047 0.458 32 R N -0.785 119.724 120.500 0.015 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.325 178.633 176.300 0.012 0.000 1.131 32 R CA 2.708 58.818 56.100 0.017 0.000 0.960 32 R CB -0.492 29.823 30.300 0.024 0.000 0.856 32 R HN 0.254 8.517 8.270 0.018 0.017 0.436 33 L N -4.364 116.864 121.223 0.009 0.000 2.465 33 L HA -0.154 nan 4.340 nan 0.000 0.224 33 L C 1.094 177.965 176.870 0.001 0.000 1.145 33 L CA 1.830 56.671 54.840 0.002 0.000 0.834 33 L CB -1.161 40.896 42.059 -0.003 0.000 0.944 33 L HN -0.077 8.020 8.230 0.011 0.139 0.451 34 K N 0.025 120.427 120.400 0.003 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.783 178.384 176.600 0.002 0.000 1.048 34 K CA 2.805 59.093 56.287 0.002 0.000 0.926 34 K CB -1.174 31.328 32.500 0.003 0.000 0.713 34 K HN -0.239 7.825 8.250 0.005 0.189 0.444 35 G N -1.550 107.251 108.800 0.002 0.000 2.432 35 G HA2 -0.182 nan 3.960 nan 0.000 0.219 35 G HA3 -0.182 nan 3.960 nan 0.000 0.219 35 G C -0.965 173.935 174.900 -0.000 0.000 1.135 35 G CA 0.504 45.605 45.100 0.001 0.000 0.767 35 G HN 0.058 8.327 8.290 0.003 0.023 0.550 36 V N -1.591 118.322 119.914 -0.001 0.000 3.093 36 V HA 0.265 nan 4.120 nan 0.000 0.320 36 V C -0.588 175.508 176.094 0.003 0.000 1.093 36 V CA -1.384 60.916 62.300 -0.001 0.000 1.016 36 V CB 1.452 33.270 31.823 -0.008 0.000 1.096 36 V HN -0.592 7.558 8.190 -0.001 0.039 0.452 37 G N 2.355 111.161 108.800 0.011 0.000 2.154 37 G HA2 -0.312 nan 3.960 nan 0.000 0.186 37 G HA3 -0.312 nan 3.960 nan 0.000 0.186 37 G C 0.032 174.942 174.900 0.015 0.000 1.000 37 G CA 0.472 45.580 45.100 0.013 0.000 0.664 37 G HN 0.273 8.573 8.290 0.017 0.000 0.513 38 I N -3.574 117.004 120.570 0.014 0.000 2.233 38 I HA 0.017 nan 4.170 nan 0.000 0.243 38 I C 0.042 176.169 176.117 0.016 0.000 1.093 38 I CA 1.110 62.413 61.300 0.005 0.000 1.380 38 I CB 0.417 38.409 38.000 -0.014 0.000 1.067 38 I HN -0.391 7.827 8.210 0.013 0.000 0.413 39 L N 2.714 123.962 121.223 0.042 0.000 2.410 39 L HA 0.322 nan 4.340 nan 0.000 0.273 39 L C -2.381 174.542 176.870 0.087 0.000 1.152 39 L CA -2.141 52.748 54.840 0.083 0.000 0.855 39 L CB 0.060 42.236 42.059 0.195 0.000 1.129 39 L HN -0.582 8.065 8.230 0.051 -0.387 0.463 40 P HA 0.185 nan 4.420 nan 0.000 0.274 40 P C 0.133 177.484 177.300 0.086 0.000 1.237 40 P CA -0.341 62.800 63.100 0.069 0.000 0.793 40 P CB 0.607 32.342 31.700 0.059 0.000 0.977 41 R N 3.276 123.815 120.500 0.066 0.000 2.088 41 R HA -0.330 nan 4.340 nan 0.000 0.232 41 R C 2.536 178.887 176.300 0.085 0.000 1.136 41 R CA 3.498 59.640 56.100 0.069 0.000 0.926 41 R CB -0.884 29.443 30.300 0.045 0.000 0.837 41 R HN 0.545 8.845 8.270 0.050 0.000 0.429 42 G N -1.477 107.366 108.800 0.071 0.000 2.432 42 G HA2 -0.181 nan 3.960 nan 0.000 0.219 42 G HA3 -0.181 nan 3.960 nan 0.000 0.219 42 G C -0.044 174.902 174.900 0.077 0.000 1.135 42 G CA 0.536 45.678 45.100 0.069 0.000 0.767 42 G HN 0.322 8.649 8.290 0.061 0.000 0.550 43 T N -0.775 113.834 114.554 0.092 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.265 174.501 174.700 0.110 0.000 1.088 43 T CA -0.340 61.821 62.100 0.102 0.000 1.120 43 T CB 0.858 69.802 68.868 0.127 0.000 1.000 43 T HN -0.870 7.376 8.240 0.095 0.051 0.550 44 L N 0.599 121.868 121.223 0.076 0.000 2.397 44 L HA 0.170 nan 4.340 nan 0.000 0.271 44 L C 0.109 177.018 176.870 0.066 0.000 1.148 44 L CA -0.142 54.737 54.840 0.066 0.000 0.825 44 L CB 0.477 42.547 42.059 0.018 0.000 1.117 44 L HN 0.079 8.350 8.230 0.068 0.000 0.456 45 F N 3.543 123.470 119.950 -0.039 0.000 2.404 45 F HA 0.068 nan 4.527 nan 0.000 0.339 45 F C -1.079 174.612 175.800 -0.182 0.000 1.105 45 F CA -0.977 56.956 58.000 -0.112 0.000 1.087 45 F CB 2.274 41.292 39.000 0.029 0.000 1.143 45 F HN -0.130 8.329 8.300 0.264 0.000 0.491 46 S N 5.514 120.447 115.700 -1.279 0.000 2.437 46 S HA 0.121 nan 4.470 nan 0.000 0.305 46 S C 0.232 174.255 174.600 -0.963 0.000 1.109 46 S CA -1.142 56.586 58.200 -0.787 0.000 1.099 46 S CB 1.472 64.339 63.200 -0.556 0.000 1.004 46 S HN 0.069 7.133 8.310 -2.077 0.000 0.475 47 C N 6.940 125.886 119.300 -0.590 0.000 2.446 47 C HA 0.035 nan 4.460 nan 0.000 0.279 47 C C 0.518 175.010 174.990 -0.831 0.000 1.366 47 C CA 1.344 59.902 59.018 -0.768 0.000 1.763 47 C CB -0.423 26.630 27.740 -1.145 0.000 1.929 47 C HN 0.200 8.214 8.230 -0.361 0.000 0.509 48 F N -4.897 114.907 119.950 -0.244 0.000 2.262 48 F HA -0.019 nan 4.527 nan 0.000 0.292 48 F C 0.218 175.859 175.800 -0.265 0.000 1.081 48 F CA 1.748 59.620 58.000 -0.214 0.000 1.355 48 F CB 0.312 39.199 39.000 -0.189 0.000 1.069 48 F HN -0.913 7.103 8.300 -0.472 0.001 0.506 49 H N 0.809 119.756 119.070 -0.206 0.000 2.897 49 H HA -0.054 nan 4.556 nan 0.000 0.347 49 H C 0.459 175.669 175.328 -0.197 0.000 1.068 49 H CA 0.186 56.093 56.048 -0.236 0.000 1.426 49 H CB 1.917 31.669 29.762 -0.016 0.000 1.410 49 H HN -0.626 7.602 8.280 -0.086 0.000 0.597 50 A N 6.808 129.270 122.820 -0.595 0.000 1.877 50 A HA -0.295 nan 4.320 nan 0.000 0.216 50 A C 1.640 179.207 177.584 -0.027 0.000 1.186 50 A CA 3.591 55.456 52.037 -0.286 0.000 0.620 50 A CB -0.062 18.748 19.000 -0.317 0.000 0.822 50 A HN 0.715 8.118 8.150 -1.245 0.000 0.443 51 R N -2.317 118.296 120.500 0.188 0.000 2.096 51 R HA -0.338 nan 4.340 nan 0.000 0.235 51 R C 2.370 178.680 176.300 0.016 0.000 1.127 51 R CA 3.027 59.195 56.100 0.113 0.000 0.968 51 R CB -0.915 29.433 30.300 0.079 0.000 0.861 51 R HN -0.555 7.867 8.270 0.254 0.000 0.440 52 H N -0.066 119.048 119.070 0.073 0.000 2.353 52 H HA -0.171 nan 4.556 nan 0.000 0.300 52 H C 2.580 177.960 175.328 0.087 0.000 1.090 52 H CA 3.760 59.798 56.048 -0.017 0.000 1.327 52 H CB 0.107 29.587 29.762 -0.470 0.000 1.383 52 H HN -0.640 7.805 8.280 0.310 0.022 0.508 53 L N -1.316 119.972 121.223 0.109 0.000 2.083 53 L HA -0.369 nan 4.340 nan 0.000 0.209 53 L C 1.908 178.833 176.870 0.091 0.000 1.083 53 L CA 2.751 57.642 54.840 0.084 0.000 0.752 53 L CB -0.625 41.422 42.059 -0.019 0.000 0.899 53 L HN -0.206 7.961 8.230 0.061 0.100 0.433 54 A N -0.936 121.920 122.820 0.061 0.000 1.902 54 A HA -0.385 nan 4.320 nan 0.000 0.217 54 A C 2.109 179.719 177.584 0.044 0.000 1.181 54 A CA 3.348 55.412 52.037 0.044 0.000 0.623 54 A CB -1.108 17.907 19.000 0.024 0.000 0.818 54 A HN 0.288 8.373 8.150 0.049 0.095 0.443 55 E N -1.282 118.949 120.200 0.053 0.000 2.077 55 E HA -0.402 nan 4.350 nan 0.000 0.193 55 E C 2.315 178.907 176.600 -0.013 0.000 0.989 55 E CA 2.881 59.300 56.400 0.033 0.000 0.800 55 E CB -0.106 29.633 29.700 0.064 0.000 0.746 55 E HN -0.479 7.921 8.360 0.067 0.000 0.452 56 A N -1.284 121.533 122.820 -0.004 0.000 1.902 56 A HA -0.261 nan 4.320 nan 0.000 0.217 56 A C 2.050 179.380 177.584 -0.424 0.000 1.181 56 A CA 3.419 55.301 52.037 -0.259 0.000 0.623 56 A CB -0.890 17.975 19.000 -0.225 0.000 0.818 56 A HN -0.041 8.103 8.150 0.116 0.076 0.443 57 T N -0.208 114.381 114.554 0.058 0.000 2.746 57 T HA -0.308 nan 4.350 nan 0.000 0.267 57 T C 1.774 176.574 174.700 0.166 0.000 1.039 57 T CA 4.505 66.825 62.100 0.366 0.000 1.142 57 T CB -0.488 68.509 68.868 0.215 0.000 0.866 57 T HN 0.085 8.287 8.240 0.092 0.093 0.444 58 E N 1.645 121.863 120.200 0.031 0.000 2.077 58 E HA -0.270 nan 4.350 nan 0.000 0.193 58 E C 1.930 178.528 176.600 -0.003 0.000 0.989 58 E CA 2.783 59.190 56.400 0.012 0.000 0.800 58 E CB -0.567 29.132 29.700 -0.001 0.000 0.746 58 E HN -0.375 7.904 8.360 0.016 0.090 0.452 59 L N -1.283 119.889 121.223 -0.086 0.000 2.046 59 L HA -0.395 nan 4.340 nan 0.000 0.208 59 L C 2.352 179.205 176.870 -0.029 0.000 1.077 59 L CA 3.213 57.995 54.840 -0.097 0.000 0.747 59 L CB -0.226 41.717 42.059 -0.193 0.000 0.896 59 L HN -0.069 8.029 8.230 -0.120 0.060 0.432 60 Y N -3.197 117.151 120.300 0.079 0.000 2.181 60 Y HA -0.448 nan 4.550 nan 0.000 0.288 60 Y C 2.298 178.348 175.900 0.249 0.000 1.146 60 Y CA 4.177 62.394 58.100 0.195 0.000 1.164 60 Y CB -1.143 37.446 38.460 0.215 0.000 0.982 60 Y HN -0.216 7.792 8.280 -0.323 0.079 0.515 61 V N -4.251 115.815 119.914 0.254 0.000 2.332 61 V HA -0.440 nan 4.120 nan 0.000 0.248 61 V C 1.540 177.746 176.094 0.186 0.000 1.055 61 V CA 3.625 65.998 62.300 0.121 0.000 1.038 61 V CB -1.605 30.220 31.823 0.005 0.000 0.651 61 V HN 0.058 8.363 8.190 0.211 0.011 0.450 62 A N 0.361 123.259 122.820 0.130 0.000 1.902 62 A HA -0.252 nan 4.320 nan 0.000 0.217 62 A C 2.000 179.655 177.584 0.119 0.000 1.181 62 A CA 3.316 55.409 52.037 0.094 0.000 0.623 62 A CB -0.989 18.036 19.000 0.041 0.000 0.818 62 A HN -0.484 7.636 8.150 0.105 0.093 0.443 63 L N -2.943 118.365 121.223 0.141 0.000 2.083 63 L HA -0.316 nan 4.340 nan 0.000 0.209 63 L C 2.298 179.353 176.870 0.307 0.000 1.083 63 L CA 2.642 57.527 54.840 0.074 0.000 0.752 63 L CB -0.490 41.558 42.059 -0.018 0.000 0.899 63 L HN -0.816 7.408 8.230 0.179 0.113 0.433 64 Y N -1.282 119.154 120.300 0.227 0.000 2.145 64 Y HA -0.356 nan 4.550 nan 0.000 0.286 64 Y C 2.457 178.445 175.900 0.147 0.000 1.145 64 Y CA 3.016 61.240 58.100 0.205 0.000 1.148 64 Y CB 0.170 38.702 38.460 0.120 0.000 0.981 64 Y HN 0.304 8.777 8.280 0.637 0.190 0.507 65 G N -4.470 104.497 108.800 0.278 0.000 3.210 65 G HA2 -0.144 nan 3.960 nan 0.000 0.220 65 G HA3 -0.144 nan 3.960 nan 0.000 0.220 65 G C -1.288 173.687 174.900 0.124 0.000 1.200 65 G CA -0.744 44.455 45.100 0.164 0.000 0.834 65 G HN 0.006 8.469 8.290 0.288 0.000 0.524 66 A N 0.176 123.082 122.820 0.144 0.000 2.462 66 A HA -0.018 nan 4.320 nan 0.000 0.243 66 A C -0.294 177.360 177.584 0.117 0.000 1.076 66 A CA 0.049 52.156 52.037 0.116 0.000 0.773 66 A CB 0.140 19.220 19.000 0.133 0.000 1.010 66 A HN -0.784 7.307 8.150 0.180 0.167 0.493 67 K N 1.944 122.394 120.400 0.085 0.000 2.031 67 K HA -0.193 nan 4.320 nan 0.000 0.205 67 K C -0.479 176.174 176.600 0.089 0.000 1.049 67 K CA 2.243 58.575 56.287 0.075 0.000 0.939 67 K CB 0.454 32.984 32.500 0.049 0.000 0.717 67 K HN 0.184 8.804 8.250 0.067 -0.330 0.438 68 D N -4.587 115.873 120.400 0.100 0.000 2.758 68 D HA -0.030 nan 4.640 nan 0.000 0.279 68 D C -0.347 176.065 176.300 0.186 0.000 1.111 68 D CA -1.391 52.687 54.000 0.131 0.000 1.109 68 D CB 0.996 41.859 40.800 0.105 0.000 1.428 68 D HN -0.543 7.880 8.370 0.088 0.000 0.586 69 F N -1.018 118.964 119.950 0.052 0.000 2.407 69 F HA -0.118 nan 4.527 nan 0.000 0.299 69 F C 0.831 176.714 175.800 0.139 0.000 1.097 69 F CA 2.364 60.409 58.000 0.076 0.000 1.422 69 F CB 0.562 39.566 39.000 0.005 0.000 1.067 69 F HN 0.150 8.630 8.300 0.300 0.000 0.539 70 N N -1.266 117.496 118.700 0.105 0.000 2.244 70 N HA -0.295 nan 4.740 nan 0.000 0.183 70 N C 1.716 177.236 175.510 0.018 0.000 1.016 70 N CA 3.337 56.416 53.050 0.047 0.000 0.866 70 N CB -0.386 38.136 38.487 0.059 0.000 0.980 70 N HN -0.445 8.400 8.380 0.147 -0.377 0.430 71 D N 0.513 120.932 120.400 0.032 0.000 2.183 71 D HA -0.123 nan 4.640 nan 0.000 0.205 71 D C 1.555 177.869 176.300 0.024 0.000 0.962 71 D CA 2.168 56.190 54.000 0.037 0.000 0.849 71 D CB 0.027 40.855 40.800 0.046 0.000 0.978 71 D HN -0.674 7.747 8.370 0.057 -0.017 0.488 72 F N 1.811 121.649 119.950 -0.188 0.000 2.102 72 F HA -0.328 nan 4.527 nan 0.000 0.298 72 F C 1.545 177.172 175.800 -0.288 0.000 1.105 72 F CA 3.602 61.442 58.000 -0.266 0.000 1.239 72 F CB 0.340 39.048 39.000 -0.487 0.000 0.991 72 F HN -0.314 8.034 8.300 0.080 0.000 0.474 73 I N -2.429 118.008 120.570 -0.221 0.000 2.226 73 I HA -0.545 nan 4.170 nan 0.000 0.245 73 I C 1.922 177.940 176.117 -0.165 0.000 1.100 73 I CA 2.509 63.693 61.300 -0.195 0.000 1.374 73 I CB -1.649 36.294 38.000 -0.095 0.000 1.057 73 I HN -0.496 7.576 8.210 -0.229 0.000 0.413 74 H N 1.432 120.408 119.070 -0.157 0.000 2.293 74 H HA -0.309 nan 4.556 nan 0.000 0.300 74 H C 2.260 177.508 175.328 -0.133 0.000 1.082 74 H CA 4.498 60.479 56.048 -0.111 0.000 1.308 74 H CB 0.321 30.040 29.762 -0.071 0.000 1.375 74 H HN -0.538 7.673 8.280 0.032 0.089 0.495 75 L N -1.522 119.660 121.223 -0.068 0.000 2.083 75 L HA -0.289 nan 4.340 nan 0.000 0.209 75 L C 1.640 178.386 176.870 -0.207 0.000 1.083 75 L CA 3.104 57.877 54.840 -0.113 0.000 0.752 75 L CB -0.694 41.323 42.059 -0.069 0.000 0.899 75 L HN -0.094 8.122 8.230 -0.022 0.000 0.433 76 C N -0.255 118.859 119.300 -0.310 0.000 2.413 76 C HA -0.488 nan 4.460 nan 0.000 0.276 76 C C 1.658 176.563 174.990 -0.141 0.000 1.236 76 C CA 4.212 63.096 59.018 -0.223 0.000 1.735 76 C CB -1.975 25.522 27.740 -0.405 0.000 2.031 76 C HN -0.123 7.851 8.230 -0.426 0.000 0.474 77 E N -0.562 119.504 120.200 -0.223 0.000 2.085 77 E HA -0.504 nan 4.350 nan 0.000 0.194 77 E C 2.410 178.855 176.600 -0.259 0.000 0.994 77 E CA 3.217 59.479 56.400 -0.230 0.000 0.801 77 E CB -0.293 29.266 29.700 -0.235 0.000 0.743 77 E HN 0.125 8.134 8.360 -0.258 0.197 0.453 78 Q N -0.855 118.763 119.800 -0.304 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.716 178.617 176.000 -0.165 0.000 0.969 78 Q CA 2.671 58.327 55.803 -0.244 0.000 0.838 78 Q CB 0.107 28.693 28.738 -0.254 0.000 0.900 78 Q HN -0.251 7.721 8.270 -0.378 0.072 0.436 79 A N 0.782 123.525 122.820 -0.129 0.000 1.933 79 A HA -0.279 nan 4.320 nan 0.000 0.218 79 A C 1.487 179.009 177.584 -0.103 0.000 1.175 79 A CA 2.993 54.991 52.037 -0.065 0.000 0.628 79 A CB -0.872 18.134 19.000 0.010 0.000 0.814 79 A HN 0.627 8.498 8.150 -0.142 0.193 0.444 80 R N -2.984 117.362 120.500 -0.257 0.000 2.152 80 R HA -0.365 nan 4.340 nan 0.000 0.232 80 R C 1.587 177.674 176.300 -0.354 0.000 1.117 80 R CA 3.048 58.779 56.100 -0.614 0.000 0.981 80 R CB -0.133 29.479 30.300 -1.147 0.000 0.870 80 R HN -0.180 7.935 8.270 -0.227 0.018 0.451 81 Q N -2.887 116.776 119.800 -0.230 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.491 177.429 176.000 -0.104 0.000 0.980 81 Q CA 2.375 58.085 55.803 -0.155 0.000 0.840 81 Q CB 0.140 28.807 28.738 -0.120 0.000 0.898 81 Q HN -0.612 7.377 8.270 -0.215 0.152 0.424 82 I N -3.664 116.858 120.570 -0.080 0.000 2.339 82 I HA -0.143 nan 4.170 nan 0.000 0.245 82 I C 0.226 176.331 176.117 -0.021 0.000 1.096 82 I CA 0.993 62.268 61.300 -0.042 0.000 1.408 82 I CB 1.389 39.371 38.000 -0.030 0.000 1.092 82 I HN -0.717 7.439 8.210 -0.090 0.000 0.423 83 V N -4.445 115.459 119.914 -0.016 0.000 3.185 83 V HA 0.061 nan 4.120 nan 0.000 0.305 83 V C -1.040 175.079 176.094 0.042 0.000 1.090 83 V CA -1.886 60.429 62.300 0.024 0.000 1.107 83 V CB -0.061 31.791 31.823 0.048 0.000 1.061 83 V HN -0.456 7.712 8.190 -0.036 0.000 0.480 84 N N 0.814 119.559 118.700 0.076 0.000 2.454 84 N HA -0.173 nan 4.740 nan 0.000 0.254 84 N C 1.289 176.867 175.510 0.113 0.000 1.228 84 N CA 0.199 53.311 53.050 0.103 0.000 0.900 84 N CB 1.128 39.713 38.487 0.163 0.000 1.089 84 N HN -0.068 8.361 8.380 0.081 0.000 0.449 85 E N 3.209 123.489 120.200 0.134 0.000 2.106 85 E HA -0.323 nan 4.350 nan 0.000 0.192 85 E C 1.718 178.479 176.600 0.268 0.000 0.984 85 E CA 3.005 59.525 56.400 0.199 0.000 0.806 85 E CB -0.864 28.966 29.700 0.216 0.000 0.750 85 E HN 0.251 8.687 8.360 0.126 0.000 0.458 86 G N -0.356 108.550 108.800 0.177 0.000 2.418 86 G HA2 -0.305 nan 3.960 nan 0.000 0.217 86 G HA3 -0.305 nan 3.960 nan 0.000 0.217 86 G C 1.118 175.940 174.900 -0.131 0.000 1.158 86 G CA 1.601 46.776 45.100 0.125 0.000 0.771 86 G HN -0.331 8.120 8.290 0.166 -0.061 0.545 87 M N 2.741 122.081 119.600 -0.433 0.000 2.159 87 M HA -0.356 nan 4.480 nan 0.000 0.263 87 M C 0.858 176.991 176.300 -0.277 0.000 1.063 87 M CA 3.295 58.094 55.300 -0.834 0.000 1.110 87 M CB 0.055 32.365 32.600 -0.483 0.000 1.374 87 M HN 0.070 8.588 8.290 -0.162 -0.325 0.411 88 F N -0.565 119.298 119.950 -0.144 0.000 2.102 88 F HA -0.405 nan 4.527 nan 0.000 0.298 88 F C 1.104 176.939 175.800 0.059 0.000 1.105 88 F CA 4.224 62.188 58.000 -0.061 0.000 1.239 88 F CB -0.061 38.917 39.000 -0.037 0.000 0.991 88 F HN -0.323 7.983 8.300 0.139 0.078 0.474 89 V N -0.276 119.772 119.914 0.223 0.000 2.407 89 V HA -0.467 nan 4.120 nan 0.000 0.248 89 V C 1.004 177.278 176.094 0.300 0.000 1.055 89 V CA 4.045 66.536 62.300 0.318 0.000 1.049 89 V CB -1.006 31.208 31.823 0.652 0.000 0.662 89 V HN 0.054 8.492 8.190 0.413 0.000 0.455 90 Y N 0.597 120.982 120.300 0.141 0.000 2.145 90 Y HA -0.476 nan 4.550 nan 0.000 0.286 90 Y C 1.346 177.364 175.900 0.198 0.000 1.145 90 Y CA 3.774 61.943 58.100 0.114 0.000 1.148 90 Y CB -0.309 38.074 38.460 -0.129 0.000 0.981 90 Y HN -0.428 7.893 8.280 0.238 0.102 0.507 91 A N -1.712 121.203 122.820 0.158 0.000 1.898 91 A HA -0.367 nan 4.320 nan 0.000 0.216 91 A C 2.143 179.945 177.584 0.362 0.000 1.181 91 A CA 3.128 55.120 52.037 -0.075 0.000 0.620 91 A CB -0.627 17.954 19.000 -0.699 0.000 0.819 91 A HN 0.206 8.311 8.150 -0.075 0.000 0.442 92 V N -4.412 115.468 119.914 -0.057 0.000 2.358 92 V HA -0.375 nan 4.120 nan 0.000 0.246 92 V C 1.848 178.122 176.094 0.299 0.000 1.047 92 V CA 3.873 66.167 62.300 -0.009 0.000 1.035 92 V CB -1.325 30.211 31.823 -0.478 0.000 0.658 92 V HN 0.142 8.131 8.190 -0.334 0.000 0.452 93 S N 0.298 116.200 115.700 0.337 0.000 2.382 93 S HA -0.269 nan 4.470 nan 0.000 0.228 93 S C 2.013 176.776 174.600 0.271 0.000 1.027 93 S CA 3.526 61.930 58.200 0.340 0.000 0.991 93 S CB -0.439 62.953 63.200 0.321 0.000 0.823 93 S HN -0.253 8.229 8.310 0.287 0.000 0.469 94 V N 1.363 121.480 119.914 0.338 0.000 2.343 94 V HA -0.375 nan 4.120 nan 0.000 0.247 94 V C 1.829 178.203 176.094 0.466 0.000 1.051 94 V CA 4.017 66.534 62.300 0.362 0.000 1.036 94 V CB -1.083 30.849 31.823 0.182 0.000 0.654 94 V HN -0.439 8.001 8.190 0.422 0.003 0.451 95 A N -0.528 122.554 122.820 0.437 0.000 1.902 95 A HA -0.278 nan 4.320 nan 0.000 0.217 95 A C 1.858 179.445 177.584 0.006 0.000 1.181 95 A CA 3.606 55.737 52.037 0.158 0.000 0.623 95 A CB -0.842 18.365 19.000 0.344 0.000 0.818 95 A HN -0.243 8.131 8.150 0.514 0.085 0.443 96 V N -0.312 119.668 119.914 0.110 0.000 2.407 96 V HA -0.397 nan 4.120 nan 0.000 0.248 96 V C 1.324 177.383 176.094 -0.058 0.000 1.055 96 V CA 3.780 66.083 62.300 0.004 0.000 1.049 96 V CB -0.826 31.063 31.823 0.110 0.000 0.662 96 V HN 0.069 8.402 8.190 0.239 0.000 0.455 97 L N -2.295 118.909 121.223 -0.032 0.000 2.005 97 L HA -0.369 nan 4.340 nan 0.000 0.207 97 L C 1.804 178.487 176.870 -0.311 0.000 1.072 97 L CA 3.202 57.917 54.840 -0.209 0.000 0.744 97 L CB 0.161 42.027 42.059 -0.322 0.000 0.895 97 L HN -0.300 7.891 8.230 0.070 0.082 0.433 98 H N -4.766 114.327 119.070 0.038 0.000 2.384 98 H HA 0.017 nan 4.556 nan 0.000 0.300 98 H C 1.121 176.450 175.328 0.002 0.000 1.057 98 H CA 2.531 58.633 56.048 0.091 0.000 1.370 98 H CB 0.676 30.646 29.762 0.348 0.000 1.417 98 H HN -0.499 7.885 8.280 0.172 0.000 0.527 99 R N 1.187 121.652 120.500 -0.058 0.000 2.351 99 R HA -0.112 nan 4.340 nan 0.000 0.318 99 R C 0.727 176.957 176.300 -0.117 0.000 1.055 99 R CA -0.024 55.987 56.100 -0.148 0.000 0.968 99 R CB 0.172 30.271 30.300 -0.334 0.000 0.974 99 R HN 0.050 8.239 8.270 -0.135 0.000 0.439 100 E N 5.770 125.938 120.200 -0.053 0.000 2.097 100 E HA -0.381 nan 4.350 nan 0.000 0.196 100 E C 1.913 178.443 176.600 -0.117 0.000 1.000 100 E CA 3.625 59.989 56.400 -0.060 0.000 0.804 100 E CB -0.491 29.198 29.700 -0.017 0.000 0.740 100 E HN 0.658 9.013 8.360 -0.008 0.000 0.454 101 D N -0.677 119.659 120.400 -0.106 0.000 2.133 101 D HA -0.227 nan 4.640 nan 0.000 0.195 101 D C 1.957 178.003 176.300 -0.424 0.000 0.997 101 D CA 2.456 56.367 54.000 -0.148 0.000 0.840 101 D CB -0.492 40.350 40.800 0.071 0.000 0.947 101 D HN 0.273 8.595 8.370 -0.059 0.013 0.452 102 C N -0.362 118.676 119.300 -0.436 0.000 2.420 102 C HA -0.088 nan 4.460 nan 0.000 0.373 102 C C 0.499 175.290 174.990 -0.332 0.000 1.356 102 C CA -1.049 57.662 59.018 -0.512 0.000 1.531 102 C CB -2.485 25.048 27.740 -0.346 0.000 1.613 102 C HN -0.112 7.858 8.230 -0.275 0.095 0.597 103 K N 2.951 123.189 120.400 -0.270 0.000 3.256 103 K HA -0.127 nan 4.320 nan 0.000 0.285 103 K C 0.097 176.567 176.600 -0.216 0.000 1.086 103 K CA -0.114 56.055 56.287 -0.197 0.000 1.125 103 K CB -2.490 29.922 32.500 -0.146 0.000 1.292 103 K HN -0.057 7.861 8.250 -0.263 0.174 0.312 104 G N -3.004 105.642 108.800 -0.256 0.000 3.941 104 G HA2 0.180 nan 3.960 nan 0.000 0.222 104 G HA3 0.180 nan 3.960 nan 0.000 0.222 104 G C -1.317 173.428 174.900 -0.258 0.000 1.118 104 G CA 0.067 45.014 45.100 -0.256 0.000 0.880 104 G HN -0.001 8.073 8.290 -0.260 0.061 0.546 105 I N 0.616 121.024 120.570 -0.269 0.000 2.651 105 I HA 0.093 nan 4.170 nan 0.000 0.287 105 I C -1.732 174.206 176.117 -0.299 0.000 1.244 105 I CA -0.830 60.302 61.300 -0.280 0.000 1.061 105 I CB 2.695 40.543 38.000 -0.254 0.000 1.286 105 I HN -0.618 7.447 8.210 -0.241 0.000 0.434 106 T N 5.600 119.911 114.554 -0.405 0.000 2.847 106 T HA 0.168 nan 4.350 nan 0.000 0.279 106 T C -1.196 173.339 174.700 -0.276 0.000 0.984 106 T CA -0.837 61.022 62.100 -0.402 0.000 0.988 106 T CB 1.052 69.583 68.868 -0.561 0.000 1.040 106 T HN 0.066 8.245 8.240 -0.380 -0.168 0.528 107 V N 2.315 122.078 119.914 -0.251 0.000 2.630 107 V HA 0.334 nan 4.120 nan 0.000 0.305 107 V C -1.909 173.894 176.094 -0.485 0.000 1.046 107 V CA -3.452 58.613 62.300 -0.392 0.000 0.934 107 V CB 0.543 32.199 31.823 -0.278 0.000 1.003 107 V HN 0.425 8.505 8.190 -0.184 0.000 0.451 108 P HA 0.168 nan 4.420 nan 0.000 0.269 108 P C -2.575 174.545 177.300 -0.299 0.000 1.215 108 P CA -1.570 61.196 63.100 -0.557 0.000 0.780 108 P CB -0.080 31.268 31.700 -0.588 0.000 0.898 109 P HA 0.066 nan 4.420 nan 0.000 0.268 109 P C 0.983 178.228 177.300 -0.092 0.000 1.204 109 P CA -0.424 62.631 63.100 -0.074 0.000 0.768 109 P CB 0.597 32.261 31.700 -0.061 0.000 0.842 110 I N -0.712 119.802 120.570 -0.092 0.000 2.252 110 I HA -0.458 nan 4.170 nan 0.000 0.245 110 I C 1.323 177.370 176.117 -0.117 0.000 1.102 110 I CA 3.926 65.148 61.300 -0.130 0.000 1.385 110 I CB -0.128 37.685 38.000 -0.312 0.000 1.064 110 I HN 0.320 8.529 8.210 -0.002 0.000 0.414 111 Q N 0.716 120.167 119.800 -0.581 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.302 177.050 176.000 -0.419 0.000 0.978 111 Q CA 3.614 58.614 55.803 -1.339 0.000 0.844 111 Q CB -1.172 26.720 28.738 -1.409 0.000 0.898 111 Q HN 0.298 8.288 8.270 -0.467 0.000 0.426 112 E N -2.765 117.299 120.200 -0.227 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.817 178.390 176.600 -0.044 0.000 0.982 112 E CA 2.273 58.629 56.400 -0.074 0.000 0.809 112 E CB -0.036 29.655 29.700 -0.014 0.000 0.756 112 E HN 0.014 8.137 8.360 -0.233 0.097 0.459 113 V N -4.678 115.190 119.914 -0.076 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.656 176.474 176.094 -0.459 0.000 1.045 113 V CA 2.230 64.390 62.300 -0.233 0.000 1.024 113 V CB 0.084 31.749 31.823 -0.264 0.000 0.651 113 V HN -0.129 7.807 8.190 -0.072 0.211 0.449 114 F N -1.241 118.765 119.950 0.094 0.000 2.449 114 F HA 0.610 nan 4.527 nan 0.000 0.344 114 F C -1.118 174.832 175.800 0.250 0.000 1.180 114 F CA -3.088 55.002 58.000 0.150 0.000 1.209 114 F CB 0.439 39.522 39.000 0.139 0.000 1.440 114 F HN -0.050 8.247 8.300 0.172 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.191 177.688 177.300 0.328 0.000 1.148 115 P CA 2.571 65.831 63.100 0.267 0.000 0.803 115 P CB -0.148 31.633 31.700 0.134 0.000 0.782 116 D N -3.572 117.004 120.400 0.294 0.000 2.178 116 D HA -0.275 nan 4.640 nan 0.000 0.202 116 D C 1.517 177.956 176.300 0.231 0.000 0.974 116 D CA 2.697 56.841 54.000 0.241 0.000 0.841 116 D CB -1.034 39.898 40.800 0.219 0.000 0.953 116 D HN 0.493 9.000 8.370 0.320 0.055 0.478 117 R N -2.225 118.415 120.500 0.233 0.000 2.115 117 R HA -0.198 nan 4.340 nan 0.000 0.226 117 R C 1.470 177.629 176.300 -0.234 0.000 1.100 117 R CA 2.152 58.251 56.100 -0.002 0.000 0.980 117 R CB -0.726 29.483 30.300 -0.152 0.000 0.875 117 R HN -0.485 7.976 8.270 0.347 0.018 0.445 118 F N -2.554 117.429 119.950 0.056 0.000 2.234 118 F HA -0.075 nan 4.527 nan 0.000 0.296 118 F C -0.259 175.546 175.800 0.008 0.000 1.089 118 F CA 2.249 60.247 58.000 -0.003 0.000 1.343 118 F CB 0.743 39.719 39.000 -0.040 0.000 1.040 118 F HN -0.800 7.644 8.300 0.468 0.137 0.498 119 V N -7.557 112.485 119.914 0.214 0.000 2.919 119 V HA 0.468 nan 4.120 nan 0.000 0.316 119 V C -2.814 173.368 176.094 0.148 0.000 1.077 119 V CA -4.529 57.870 62.300 0.165 0.000 0.977 119 V CB 0.173 32.099 31.823 0.171 0.000 1.039 119 V HN -0.562 7.774 8.190 0.243 0.000 0.441 120 P HA 0.137 nan 4.420 nan 0.000 0.272 120 P C -0.572 176.809 177.300 0.135 0.000 1.230 120 P CA -0.747 62.437 63.100 0.139 0.000 0.788 120 P CB 0.747 32.515 31.700 0.113 0.000 0.949 121 A N 1.915 124.822 122.820 0.145 0.000 1.933 121 A HA -0.362 nan 4.320 nan 0.000 0.218 121 A C 2.033 179.680 177.584 0.104 0.000 1.175 121 A CA 3.478 55.591 52.037 0.127 0.000 0.628 121 A CB -0.464 18.614 19.000 0.131 0.000 0.814 121 A HN 0.185 8.439 8.150 0.173 0.000 0.444 122 E N -2.333 117.926 120.200 0.098 0.000 2.051 122 E HA -0.415 nan 4.350 nan 0.000 0.192 122 E C 2.345 178.991 176.600 0.076 0.000 0.991 122 E CA 3.309 59.756 56.400 0.077 0.000 0.799 122 E CB -0.952 28.785 29.700 0.061 0.000 0.748 122 E HN 0.268 8.680 8.360 0.106 0.012 0.449 123 T N 1.288 115.893 114.554 0.085 0.000 2.746 123 T HA -0.137 nan 4.350 nan 0.000 0.267 123 T C 2.129 176.879 174.700 0.083 0.000 1.039 123 T CA 3.891 66.042 62.100 0.086 0.000 1.142 123 T CB -0.567 68.362 68.868 0.101 0.000 0.866 123 T HN 0.044 8.340 8.240 0.092 0.000 0.444 124 I N 1.359 121.985 120.570 0.093 0.000 2.286 124 I HA -0.578 nan 4.170 nan 0.000 0.248 124 I C 1.420 177.581 176.117 0.073 0.000 1.115 124 I CA 4.288 65.641 61.300 0.089 0.000 1.392 124 I CB -0.431 37.630 38.000 0.102 0.000 1.065 124 I HN -0.203 7.986 8.210 0.101 0.082 0.418 125 N N -0.012 118.730 118.700 0.070 0.000 2.120 125 N HA -0.298 nan 4.740 nan 0.000 0.188 125 N C 2.219 177.760 175.510 0.052 0.000 1.024 125 N CA 3.582 56.667 53.050 0.058 0.000 0.852 125 N CB -0.017 38.504 38.487 0.056 0.000 1.003 125 N HN 0.252 8.487 8.380 0.077 0.191 0.424 126 R N -0.466 120.067 120.500 0.055 0.000 2.073 126 R HA -0.341 nan 4.340 nan 0.000 0.234 126 R C 2.063 178.393 176.300 0.049 0.000 1.134 126 R CA 3.461 59.591 56.100 0.051 0.000 0.952 126 R CB -0.227 30.104 30.300 0.052 0.000 0.850 126 R HN 0.172 8.403 8.270 0.060 0.074 0.433 127 A N -1.124 121.727 122.820 0.052 0.000 1.902 127 A HA -0.282 nan 4.320 nan 0.000 0.217 127 A C 2.176 179.787 177.584 0.045 0.000 1.181 127 A CA 3.220 55.286 52.037 0.049 0.000 0.623 127 A CB -0.852 18.180 19.000 0.052 0.000 0.818 127 A HN 0.319 8.504 8.150 0.058 0.000 0.443 128 N N -1.903 116.823 118.700 0.044 0.000 2.120 128 N HA -0.312 nan 4.740 nan 0.000 0.188 128 N C 2.202 177.730 175.510 0.029 0.000 1.024 128 N CA 2.813 55.883 53.050 0.034 0.000 0.852 128 N CB -0.486 38.021 38.487 0.033 0.000 1.003 128 N HN -0.236 8.173 8.380 0.049 0.000 0.424 129 K N 1.159 121.579 120.400 0.034 0.000 2.057 129 K HA -0.347 nan 4.320 nan 0.000 0.207 129 K C 2.132 178.755 176.600 0.038 0.000 1.049 129 K CA 3.472 59.778 56.287 0.031 0.000 0.931 129 K CB 0.036 32.557 32.500 0.035 0.000 0.714 129 K HN 0.305 8.376 8.250 0.039 0.203 0.440 130 E N -1.238 118.991 120.200 0.049 0.000 2.153 130 E HA -0.352 nan 4.350 nan 0.000 0.194 130 E C 2.301 178.938 176.600 0.063 0.000 0.988 130 E CA 2.806 59.246 56.400 0.066 0.000 0.811 130 E CB -0.238 29.498 29.700 0.059 0.000 0.746 130 E HN 0.254 8.453 8.360 0.047 0.190 0.466 131 A N -1.136 121.711 122.820 0.044 0.000 1.877 131 A HA -0.222 nan 4.320 nan 0.000 0.216 131 A C 1.514 179.112 177.584 0.024 0.000 1.186 131 A CA 3.188 55.247 52.037 0.036 0.000 0.620 131 A CB -0.477 18.538 19.000 0.024 0.000 0.822 131 A HN -0.113 7.974 8.150 0.041 0.087 0.443 132 S N -1.968 113.738 115.700 0.010 0.000 2.395 132 S HA -0.149 nan 4.470 nan 0.000 0.225 132 S C 1.642 176.223 174.600 -0.033 0.000 1.027 132 S CA 2.081 60.273 58.200 -0.013 0.000 0.965 132 S CB 0.351 63.541 63.200 -0.017 0.000 0.812 132 S HN -0.426 7.891 8.310 0.013 0.000 0.482 133 N N 1.184 119.875 118.700 -0.015 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.191 175.553 175.510 -0.247 0.000 1.044 133 N CA 2.543 55.545 53.050 -0.080 0.000 0.851 133 N CB 0.591 39.121 38.487 0.071 0.000 1.036 133 N HN -0.037 8.123 8.380 0.023 0.234 0.422 134 H N -1.971 117.102 119.070 0.006 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.401 172.930 175.328 0.005 0.000 0.973 134 H CA -2.280 53.772 56.048 0.005 0.000 1.321 134 H CB 1.393 31.158 29.762 0.006 0.000 1.535 134 H HN -0.601 7.766 8.280 0.144 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.653 175.689 177.300 0.070 0.000 1.220 135 P CA -0.098 63.034 63.100 0.053 0.000 0.768 135 P CB 0.480 32.191 31.700 0.019 0.000 0.848 136 D N 2.894 123.328 120.400 0.058 0.000 2.751 136 D HA -0.024 nan 4.640 nan 0.000 0.236 136 D C -0.044 176.281 176.300 0.042 0.000 1.196 136 D CA -0.026 54.002 54.000 0.048 0.000 0.741 136 D CB 1.460 42.290 40.800 0.049 0.000 1.474 136 D HN -0.412 7.991 8.370 0.054 0.000 0.452 137 Q N 1.434 121.254 119.800 0.033 0.000 2.224 137 Q HA -0.200 nan 4.340 nan 0.000 0.203 137 Q C -0.052 175.963 176.000 0.025 0.000 0.970 137 Q CA 2.177 57.999 55.803 0.032 0.000 0.865 137 Q CB 0.250 29.002 28.738 0.023 0.000 0.922 137 Q HN 0.139 8.426 8.270 0.029 0.000 0.445 138 Q N -1.468 118.344 119.800 0.019 0.000 2.352 138 Q HA -0.237 nan 4.340 nan 0.000 0.326 138 Q C -0.865 175.143 176.000 0.013 0.000 1.135 138 Q CA 0.906 56.716 55.803 0.011 0.000 1.000 138 Q CB 0.441 29.183 28.738 0.005 0.000 1.237 138 Q HN -0.263 8.161 8.270 0.021 -0.141 0.409 139 S N 2.463 118.165 115.700 0.003 0.000 2.592 139 S HA 0.351 nan 4.470 nan 0.000 0.271 139 S C -0.746 173.858 174.600 0.006 0.000 1.326 139 S CA 0.092 58.293 58.200 0.002 0.000 1.024 139 S CB 0.786 63.980 63.200 -0.009 0.000 0.921 139 S HN 0.107 8.416 8.310 -0.001 0.000 0.527 140 I N 2.456 123.032 120.570 0.010 0.000 2.474 140 I HA 0.325 nan 4.170 nan 0.000 0.294 140 I C -2.136 173.987 176.117 0.010 0.000 1.005 140 I CA -0.546 60.763 61.300 0.015 0.000 1.113 140 I CB 2.468 40.484 38.000 0.027 0.000 1.289 140 I HN 0.116 8.331 8.210 0.009 0.000 0.436 141 V N 6.686 126.605 119.914 0.009 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.710 174.393 176.094 0.015 0.000 1.051 141 V CA -1.769 60.534 62.300 0.005 0.000 0.893 141 V CB 2.345 34.164 31.823 -0.007 0.000 0.999 141 V HN 0.132 8.328 8.190 0.011 0.000 0.426 142 V N 7.642 127.570 119.914 0.023 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.911 174.206 176.094 0.039 0.000 1.042 142 V CA -1.207 61.115 62.300 0.036 0.000 0.877 142 V CB 3.555 35.408 31.823 0.050 0.000 0.996 142 V HN 0.604 8.807 8.190 0.021 0.000 0.425 143 E N 6.380 126.606 120.200 0.044 0.000 2.052 143 E HA 0.177 nan 4.350 nan 0.000 0.283 143 E C 0.263 176.922 176.600 0.097 0.000 1.071 143 E CA -1.055 55.380 56.400 0.058 0.000 0.851 143 E CB 0.693 30.435 29.700 0.069 0.000 1.066 143 E HN 0.476 8.862 8.360 0.043 0.000 0.396 144 A N 8.113 131.006 122.820 0.121 0.000 2.070 144 A HA -0.194 nan 4.320 nan 0.000 0.220 144 A C 0.932 178.618 177.584 0.170 0.000 1.159 144 A CA 2.541 54.668 52.037 0.150 0.000 0.656 144 A CB -0.463 18.651 19.000 0.190 0.000 0.800 144 A HN 0.813 8.932 8.150 0.110 0.097 0.453 145 E N -2.099 118.233 120.200 0.220 0.000 2.233 145 E HA -0.243 nan 4.350 nan 0.000 0.199 145 E C 0.047 176.731 176.600 0.140 0.000 1.004 145 E CA 1.093 57.631 56.400 0.229 0.000 0.819 145 E CB 0.130 30.000 29.700 0.284 0.000 0.738 145 E HN 0.092 8.552 8.360 0.236 0.041 0.478 146 E N -3.441 116.820 120.200 0.100 0.000 6.574 146 E HA -0.290 nan 4.350 nan 0.000 0.171 146 E C -1.081 175.539 176.600 0.033 0.000 1.464 146 E CA 0.841 57.275 56.400 0.056 0.000 2.498 146 E CB -0.031 29.692 29.700 0.038 0.000 1.837 146 E HN -0.247 8.138 8.360 0.106 0.039 0.466 147 T N -0.405 114.152 114.554 0.005 0.000 3.105 147 T HA 0.587 nan 4.350 nan 0.000 0.321 147 T C -1.193 173.483 174.700 -0.040 0.000 1.135 147 T CA 0.029 62.120 62.100 -0.016 0.000 1.053 147 T CB 2.039 70.902 68.868 -0.009 0.000 1.133 147 T HN 0.467 8.706 8.240 -0.002 0.000 0.463 148 G N 2.066 110.822 108.800 -0.073 0.000 2.667 148 G HA2 0.400 nan 3.960 nan 0.000 0.294 148 G HA3 0.400 nan 3.960 nan 0.000 0.294 148 G C -2.341 172.487 174.900 -0.119 0.000 1.467 148 G CA -0.556 44.489 45.100 -0.092 0.000 0.852 148 G HN 0.319 8.559 8.290 -0.084 0.000 0.521 149 N N 0.697 119.341 118.700 -0.094 0.000 2.488 149 N HA 0.117 nan 4.740 nan 0.000 0.274 149 N C -0.689 174.747 175.510 -0.124 0.000 1.111 149 N CA -0.301 52.692 53.050 -0.095 0.000 0.974 149 N CB 0.991 39.444 38.487 -0.057 0.000 1.089 149 N HN 0.020 8.357 8.380 -0.072 0.000 0.465 150 I N 5.533 126.011 120.570 -0.153 0.000 2.420 150 I HA 0.102 nan 4.170 nan 0.000 0.282 150 I C -0.553 175.513 176.117 -0.086 0.000 1.019 150 I CA -0.344 60.837 61.300 -0.200 0.000 1.130 150 I CB 1.520 39.278 38.000 -0.403 0.000 1.262 150 I HN 0.374 8.511 8.210 -0.121 0.000 0.454 151 L N 5.993 127.194 121.223 -0.037 0.000 2.249 151 L HA -0.011 nan 4.340 nan 0.000 0.207 151 L C 0.017 176.902 176.870 0.024 0.000 1.090 151 L CA 1.097 55.934 54.840 -0.005 0.000 0.802 151 L CB 0.021 42.081 42.059 0.001 0.000 0.947 151 L HN 0.324 8.533 8.230 -0.035 0.000 0.453 152 D N -0.041 120.390 120.400 0.052 0.000 2.325 152 D HA 0.239 nan 4.640 nan 0.000 0.251 152 D C -0.760 175.621 176.300 0.134 0.000 1.196 152 D CA -2.494 51.564 54.000 0.096 0.000 0.866 152 D CB 0.793 41.669 40.800 0.127 0.000 1.101 152 D HN -0.517 7.877 8.370 0.041 0.000 0.476 153 P HA -0.145 nan 4.420 nan 0.000 0.226 153 P C 0.788 178.163 177.300 0.125 0.000 1.153 153 P CA 1.333 64.497 63.100 0.107 0.000 0.777 153 P CB 0.295 32.033 31.700 0.064 0.000 0.794 154 E N -0.285 119.997 120.200 0.138 0.000 2.265 154 E HA -0.282 nan 4.350 nan 0.000 0.196 154 E C 1.579 178.262 176.600 0.138 0.000 0.996 154 E CA 2.211 58.688 56.400 0.129 0.000 0.832 154 E CB -0.626 29.170 29.700 0.159 0.000 0.756 154 E HN -0.349 8.279 8.360 0.139 -0.184 0.491 155 Y N 0.679 121.034 120.300 0.091 0.000 2.256 155 Y HA -0.389 nan 4.550 nan 0.000 0.288 155 Y C 1.572 177.524 175.900 0.086 0.000 1.155 155 Y CA 3.348 61.507 58.100 0.099 0.000 1.203 155 Y CB 0.068 38.577 38.460 0.081 0.000 0.980 155 Y HN -0.312 7.999 8.280 0.310 0.155 0.530 156 K N -2.185 118.305 120.400 0.149 0.000 2.103 156 K HA -0.341 nan 4.320 nan 0.000 0.207 156 K C 2.342 178.950 176.600 0.012 0.000 1.048 156 K CA 2.306 58.667 56.287 0.124 0.000 0.930 156 K CB -0.841 31.729 32.500 0.117 0.000 0.716 156 K HN -0.252 7.962 8.250 0.196 0.154 0.444 157 L N -2.288 118.849 121.223 -0.144 0.000 2.376 157 L HA -0.166 nan 4.340 nan 0.000 0.219 157 L C 1.454 178.047 176.870 -0.462 0.000 1.133 157 L CA 1.388 56.000 54.840 -0.380 0.000 0.816 157 L CB -0.843 41.084 42.059 -0.221 0.000 0.933 157 L HN -0.444 7.609 8.230 -0.070 0.135 0.449 158 S N 0.904 116.405 115.700 -0.331 0.000 2.402 158 S HA -0.398 nan 4.470 nan 0.000 0.233 158 S C 1.768 176.261 174.600 -0.179 0.000 1.030 158 S CA 3.895 61.931 58.200 -0.273 0.000 1.003 158 S CB -0.329 62.566 63.200 -0.508 0.000 0.813 158 S HN 0.086 8.006 8.310 -0.335 0.189 0.477 159 Y N -0.559 119.723 120.300 -0.030 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.085 177.050 175.900 0.109 0.000 1.146 159 Y CA 1.695 59.826 58.100 0.051 0.000 1.164 159 Y CB -0.968 37.532 38.460 0.065 0.000 0.982 159 Y HN -0.780 7.385 8.280 -0.155 0.022 0.515 160 F N 0.287 119.855 119.950 -0.638 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.350 178.085 175.800 -0.110 0.000 1.107 160 F CA 2.839 60.690 58.000 -0.249 0.000 1.234 160 F CB 0.626 39.419 39.000 -0.346 0.000 1.002 160 F HN -0.346 7.111 8.300 -1.235 0.102 0.472 161 R N -1.621 118.951 120.500 0.120 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.844 178.089 176.300 -0.090 0.000 1.126 161 R CA 2.810 58.968 56.100 0.096 0.000 0.963 161 R CB -0.123 30.232 30.300 0.093 0.000 0.858 161 R HN -0.217 8.088 8.270 0.058 0.000 0.435 162 E N -3.777 116.379 120.200 -0.073 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.529 176.026 176.600 -0.076 0.000 1.028 162 E CA 0.343 56.709 56.400 -0.056 0.000 0.864 162 E CB 0.345 30.045 29.700 -0.001 0.000 0.813 162 E HN -0.373 7.835 8.360 -0.062 0.115 0.514 163 D N 0.437 120.774 120.400 -0.105 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.578 176.826 176.300 -0.086 0.000 1.137 163 D CA 0.818 54.772 54.000 -0.077 0.000 0.868 163 D CB 0.910 41.660 40.800 -0.084 0.000 1.180 163 D HN -0.910 7.205 8.370 -0.146 0.167 0.465 164 I N 6.210 126.738 120.570 -0.069 0.000 2.252 164 I HA -0.225 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.223 176.117 0.086 0.000 1.102 164 I CA 2.948 64.287 61.300 0.064 0.000 1.385 164 I CB 0.501 38.407 38.000 -0.157 0.000 1.064 164 I HN 0.424 8.551 8.210 -0.139 0.000 0.414 165 G N -0.890 107.912 108.800 0.004 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.395 176.215 174.900 -0.133 0.000 1.158 165 G CA 2.246 47.335 45.100 -0.018 0.000 0.771 165 G HN -0.226 8.267 8.290 0.009 -0.198 0.545 166 I N 2.157 122.539 120.570 -0.313 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.772 177.779 176.117 -0.182 0.000 1.088 166 I CA 2.659 63.647 61.300 -0.521 0.000 1.357 166 I CB -1.036 36.555 38.000 -0.681 0.000 1.051 166 I HN -0.362 7.940 8.210 -0.271 -0.255 0.409 167 N N -0.074 118.580 118.700 -0.076 0.000 2.120 167 N HA -0.292 nan 4.740 nan 0.000 0.188 167 N C 2.200 177.827 175.510 0.196 0.000 1.024 167 N CA 3.473 56.533 53.050 0.017 0.000 0.852 167 N CB -0.360 38.065 38.487 -0.103 0.000 1.003 167 N HN -0.589 7.725 8.380 -0.111 0.000 0.424 168 A N -0.002 122.980 122.820 0.270 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.838 179.595 177.584 0.287 0.000 1.181 168 A CA 3.061 55.258 52.037 0.268 0.000 0.623 168 A CB -0.731 18.431 19.000 0.270 0.000 0.818 168 A HN -0.154 8.035 8.150 0.237 0.103 0.443 169 H N 0.188 119.407 119.070 0.248 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.800 177.370 175.328 0.404 0.000 1.087 169 H CA 3.992 60.247 56.048 0.345 0.000 1.319 169 H CB 0.092 29.943 29.762 0.150 0.000 1.379 169 H HN -0.089 8.368 8.280 0.296 0.000 0.501 170 H N -0.405 118.811 119.070 0.244 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.552 178.105 175.328 0.376 0.000 1.090 170 H CA 3.191 59.391 56.048 0.253 0.000 1.332 170 H CB 0.348 30.239 29.762 0.214 0.000 1.386 170 H HN -0.449 8.085 8.280 0.423 0.000 0.516 171 W N 0.390 121.751 121.300 0.102 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.609 178.107 176.519 -0.035 0.000 1.206 171 W CA 4.129 61.467 57.345 -0.012 0.000 1.284 171 W CB -0.324 29.044 29.460 -0.152 0.000 1.145 171 W HN -0.203 8.244 8.180 0.444 0.000 0.502 172 H N -2.495 116.768 119.070 0.322 0.000 2.387 172 H HA -0.363 nan 4.556 nan 0.000 0.299 172 H C 2.213 177.552 175.328 0.019 0.000 1.090 172 H CA 4.229 60.372 56.048 0.158 0.000 1.332 172 H CB -0.264 29.598 29.762 0.168 0.000 1.386 172 H HN -0.306 7.974 8.280 0.122 0.074 0.516 173 W N 0.276 121.525 121.300 -0.085 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.783 178.274 176.519 -0.048 0.000 1.208 173 W CA 4.902 62.181 57.345 -0.111 0.000 1.274 173 W CB -0.122 29.174 29.460 -0.274 0.000 1.138 173 W HN 0.523 8.797 8.180 0.157 0.000 0.515 174 H N -2.989 116.260 119.070 0.298 0.000 2.421 174 H HA -0.315 nan 4.556 nan 0.000 0.298 174 H C 2.514 177.816 175.328 -0.044 0.000 1.087 174 H CA 4.295 60.472 56.048 0.216 0.000 1.330 174 H CB -0.171 29.652 29.762 0.101 0.000 1.388 174 H HN -0.649 7.812 8.280 0.302 0.000 0.526 175 I N -0.762 119.730 120.570 -0.130 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.643 177.698 176.117 -0.103 0.000 1.102 175 I CA 2.740 63.919 61.300 -0.201 0.000 1.385 175 I CB -0.202 37.650 38.000 -0.246 0.000 1.064 175 I HN -0.711 7.282 8.210 -0.151 0.127 0.414 176 V N -4.397 115.382 119.914 -0.226 0.000 2.427 176 V HA -0.219 nan 4.120 nan 0.000 0.248 176 V C 0.182 175.837 176.094 -0.731 0.000 1.051 176 V CA 2.881 64.922 62.300 -0.432 0.000 1.048 176 V CB 0.037 31.542 31.823 -0.530 0.000 0.666 176 V HN -0.556 7.427 8.190 -0.202 0.086 0.456 177 Y N -1.754 118.206 120.300 -0.567 0.000 2.842 177 Y HA 0.458 nan 4.550 nan 0.000 0.334 177 Y C -2.357 173.406 175.900 -0.228 0.000 1.019 177 Y CA -3.171 54.602 58.100 -0.546 0.000 1.258 177 Y CB -0.005 37.947 38.460 -0.847 0.000 1.106 177 Y HN -0.299 7.675 8.280 -0.510 0.000 0.545 178 P HA 0.074 nan 4.420 nan 0.000 0.278 178 P C -0.324 177.104 177.300 0.213 0.000 1.238 178 P CA -0.755 62.467 63.100 0.204 0.000 0.794 178 P CB 0.425 32.258 31.700 0.222 0.000 0.955 179 A N 3.708 126.652 122.820 0.205 0.000 1.930 179 A HA -0.219 nan 4.320 nan 0.000 0.217 179 A C 0.971 178.625 177.584 0.118 0.000 1.175 179 A CA 3.101 55.226 52.037 0.147 0.000 0.627 179 A CB -0.529 18.536 19.000 0.108 0.000 0.815 179 A HN 0.579 8.867 8.150 0.231 0.000 0.443 180 T N -6.411 108.208 114.554 0.107 0.000 3.035 180 T HA -0.224 nan 4.350 nan 0.000 0.268 180 T C 0.702 175.444 174.700 0.071 0.000 1.109 180 T CA 0.068 62.211 62.100 0.071 0.000 1.119 180 T CB -0.578 68.333 68.868 0.073 0.000 0.900 180 T HN -0.242 8.044 8.240 0.112 0.021 0.503 181 W N 4.127 125.376 121.300 -0.084 0.000 2.513 181 W HA -0.340 nan 4.660 nan 0.000 0.339 181 W C -1.689 174.771 176.519 -0.098 0.000 1.257 181 W CA 1.262 58.526 57.345 -0.135 0.000 1.280 181 W CB 0.027 29.413 29.460 -0.123 0.000 1.214 181 W HN -0.734 7.414 8.180 0.276 0.198 0.567 182 N N 8.012 126.379 118.700 -0.555 0.000 2.479 182 N HA 0.339 nan 4.740 nan 0.000 0.261 182 N C -1.670 173.483 175.510 -0.596 0.000 0.979 182 N CA -3.086 49.732 53.050 -0.386 0.000 0.930 182 N CB 2.004 40.316 38.487 -0.291 0.000 1.172 182 N HN -0.031 7.862 8.380 -0.811 0.000 0.499 183 P HA -0.057 nan 4.420 nan 0.000 0.221 183 P C 0.855 178.074 177.300 -0.134 0.000 1.150 183 P CA 1.748 64.776 63.100 -0.119 0.000 0.800 183 P CB 0.453 32.253 31.700 0.166 0.000 0.787 184 T N -4.949 109.531 114.554 -0.122 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.168 174.700 -0.135 0.000 1.038 184 T CA 3.030 65.076 62.100 -0.090 0.000 1.144 184 T CB -0.528 68.300 68.868 -0.067 0.000 0.866 184 T HN 0.337 8.785 8.240 -0.121 -0.281 0.434 185 V N 1.481 121.267 119.914 -0.214 0.000 2.261 185 V HA -0.284 nan 4.120 nan 0.000 0.246 185 V C 1.948 177.885 176.094 -0.261 0.000 1.047 185 V CA 2.790 64.952 62.300 -0.230 0.000 1.015 185 V CB -0.242 31.407 31.823 -0.291 0.000 0.642 185 V HN -0.488 7.765 8.190 -0.234 -0.204 0.446 186 M N -2.421 116.929 119.600 -0.418 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.660 176.300 -0.133 0.000 1.065 186 M CA 1.407 56.488 55.300 -0.366 0.000 1.122 186 M CB 0.368 32.579 32.600 -0.647 0.000 1.365 186 M HN -0.310 7.646 8.290 -0.556 0.000 0.411 187 G N -3.187 105.552 108.800 -0.102 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.636 173.299 174.900 0.058 0.000 1.058 187 G CA 0.372 45.466 45.100 -0.010 0.000 0.632 187 G HN 0.133 8.122 8.290 -0.166 0.202 0.508 188 K N 0.834 121.306 120.400 0.119 0.000 2.087 188 K HA 0.164 nan 4.320 nan 0.000 0.255 188 K C -1.308 175.512 176.600 0.366 0.000 0.988 188 K CA -1.292 55.126 56.287 0.218 0.000 0.915 188 K CB 1.009 33.663 32.500 0.256 0.000 1.043 188 K HN -0.288 7.914 8.250 0.085 0.099 0.457 189 E N -0.926 119.451 120.200 0.296 0.000 2.277 189 E HA 0.210 nan 4.350 nan 0.000 0.266 189 E C -0.888 175.778 176.600 0.111 0.000 0.901 189 E CA -1.977 54.617 56.400 0.325 0.000 0.782 189 E CB 2.195 32.024 29.700 0.215 0.000 1.228 189 E HN 0.045 8.525 8.360 0.200 0.000 0.424 190 K N 1.125 121.474 120.400 -0.085 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.662 175.956 176.600 0.029 0.000 1.066 190 K CA -1.503 54.670 56.287 -0.191 0.000 0.901 190 K CB 0.208 32.447 32.500 -0.435 0.000 1.089 190 K HN 0.387 8.615 8.250 -0.037 0.000 0.476 191 D N 4.161 124.610 120.400 0.081 0.000 2.425 191 D HA -0.080 nan 4.640 nan 0.000 0.247 191 D C 0.120 176.488 176.300 0.114 0.000 1.147 191 D CA 1.091 55.153 54.000 0.104 0.000 0.879 191 D CB 0.342 41.208 40.800 0.110 0.000 1.179 191 D HN 0.143 8.550 8.370 0.062 0.000 0.456 192 R N -0.281 120.265 120.500 0.076 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.657 176.970 176.300 0.021 0.000 1.053 192 R CA 0.984 57.106 56.100 0.037 0.000 0.705 192 R CB -2.268 28.023 30.300 -0.016 0.000 1.124 192 R HN 0.737 9.055 8.270 0.079 0.000 0.444 193 K N -1.557 118.876 120.400 0.056 0.000 2.097 193 K HA -0.223 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.317 176.600 0.077 0.000 1.050 193 K CA 2.779 59.070 56.287 0.006 0.000 0.938 193 K CB -0.637 31.952 32.500 0.148 0.000 0.718 193 K HN -0.361 7.938 8.250 0.082 0.000 0.442 194 G N -0.669 108.198 108.800 0.113 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.875 175.907 174.900 0.220 0.000 1.158 194 G CA 2.051 47.249 45.100 0.163 0.000 0.771 194 G HN -0.164 8.342 8.290 0.093 -0.161 0.545 195 E N 1.586 121.865 120.200 0.132 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.594 176.600 0.172 0.000 0.984 195 E CA 2.182 58.661 56.400 0.132 0.000 0.806 195 E CB -0.248 29.470 29.700 0.031 0.000 0.750 195 E HN -0.607 7.903 8.360 0.086 -0.098 0.458 196 L N 0.027 121.304 121.223 0.091 0.000 2.083 196 L HA -0.334 nan 4.340 nan 0.000 0.209 196 L C 1.258 178.272 176.870 0.240 0.000 1.083 196 L CA 3.144 58.045 54.840 0.102 0.000 0.752 196 L CB -0.285 41.713 42.059 -0.103 0.000 0.899 196 L HN -0.039 8.136 8.230 0.033 0.075 0.433 197 F N 0.689 120.763 119.950 0.206 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.162 176.968 175.800 0.010 0.000 1.104 197 F CA 4.167 62.290 58.000 0.205 0.000 1.232 197 F CB -0.065 39.064 39.000 0.214 0.000 0.987 197 F HN 0.214 8.676 8.300 0.410 0.084 0.475 198 F N 0.265 120.114 119.950 -0.168 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.802 176.347 175.800 -0.424 0.000 1.105 198 F CA 3.735 61.366 58.000 -0.616 0.000 1.239 198 F CB -0.103 38.428 39.000 -0.781 0.000 0.991 198 F HN -0.478 7.936 8.300 0.329 0.083 0.474 199 Y N -0.121 119.831 120.300 -0.581 0.000 2.163 199 Y HA -0.529 nan 4.550 nan 0.000 0.288 199 Y C 1.514 177.055 175.900 -0.600 0.000 1.136 199 Y CA 3.801 61.533 58.100 -0.612 0.000 1.147 199 Y CB 0.110 38.460 38.460 -0.184 0.000 0.987 199 Y HN 0.079 8.329 8.280 0.077 0.077 0.509 200 M N -0.746 118.529 119.600 -0.543 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.910 177.674 176.300 -0.894 0.000 1.067 200 M CA 2.732 57.571 55.300 -0.767 0.000 1.116 200 M CB -0.413 31.594 32.600 -0.989 0.000 1.348 200 M HN 0.328 8.441 8.290 -0.294 0.000 0.407 201 H N -1.638 116.933 119.070 -0.832 0.000 2.389 201 H HA -0.264 nan 4.556 nan 0.000 0.299 201 H C 2.502 177.518 175.328 -0.520 0.000 1.081 201 H CA 4.617 60.311 56.048 -0.591 0.000 1.345 201 H CB -0.334 29.101 29.762 -0.545 0.000 1.393 201 H HN -0.498 7.344 8.280 -0.730 0.000 0.520 202 Q N -0.561 118.846 119.800 -0.656 0.000 2.084 202 Q HA -0.353 nan 4.340 nan 0.000 0.202 202 Q C 2.391 178.075 176.000 -0.527 0.000 0.978 202 Q CA 3.326 58.765 55.803 -0.607 0.000 0.844 202 Q CB -0.350 27.819 28.738 -0.948 0.000 0.898 202 Q HN -0.196 7.442 8.270 -0.886 0.101 0.426 203 Q N -0.683 118.655 119.800 -0.770 0.000 2.124 203 Q HA -0.272 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.313 176.000 -0.544 0.000 0.977 203 Q CA 2.700 58.058 55.803 -0.742 0.000 0.850 203 Q CB -0.314 27.729 28.738 -1.159 0.000 0.901 203 Q HN 0.018 7.689 8.270 -0.999 0.000 0.429 204 M N -0.082 119.238 119.600 -0.467 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.304 178.651 176.300 0.078 0.000 1.065 204 M CA 4.388 59.608 55.300 -0.132 0.000 1.114 204 M CB -0.080 32.519 32.600 -0.002 0.000 1.361 204 M HN -0.143 7.730 8.290 -0.575 0.072 0.408 205 C N -1.005 118.324 119.300 0.049 0.000 2.446 205 C HA -0.341 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.844 174.990 0.043 0.000 1.275 205 C CA 4.045 63.159 59.018 0.161 0.000 1.727 205 C CB -2.106 25.705 27.740 0.118 0.000 2.010 205 C HN -0.108 8.089 8.230 -0.056 0.000 0.486 206 A N -0.031 122.739 122.820 -0.082 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.933 179.449 177.584 -0.114 0.000 1.181 206 A CA 3.372 55.346 52.037 -0.106 0.000 0.623 206 A CB -0.952 17.964 19.000 -0.141 0.000 0.818 206 A HN 0.574 8.464 8.150 -0.148 0.171 0.443 207 R N -1.965 118.458 120.500 -0.127 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.268 178.406 176.300 -0.270 0.000 1.127 207 R CA 3.164 59.196 56.100 -0.113 0.000 0.968 207 R CB -0.047 30.260 30.300 0.012 0.000 0.861 207 R HN 0.228 8.291 8.270 -0.153 0.115 0.440 208 Y N 1.066 121.080 120.300 -0.477 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.376 176.962 175.900 -0.524 0.000 1.146 208 Y CA 3.248 60.862 58.100 -0.809 0.000 1.164 208 Y CB -0.095 37.868 38.460 -0.829 0.000 0.982 208 Y HN -0.099 8.062 8.280 -0.061 0.082 0.515 209 D N -1.693 118.535 120.400 -0.286 0.000 2.178 209 D HA -0.340 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.760 176.300 -0.268 0.000 0.980 209 D CA 3.333 57.174 54.000 -0.264 0.000 0.842 209 D CB -0.834 39.895 40.800 -0.118 0.000 0.948 209 D HN 0.194 8.433 8.370 -0.105 0.068 0.472 210 S N -1.238 114.339 115.700 -0.206 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.921 176.461 174.600 -0.100 0.000 1.014 210 S CA 3.439 61.594 58.200 -0.076 0.000 0.965 210 S CB -0.240 62.963 63.200 0.004 0.000 0.785 210 S HN -0.303 7.799 8.310 -0.199 0.089 0.495 211 E N 1.457 121.484 120.200 -0.289 0.000 2.072 211 E HA -0.259 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.042 176.600 -0.270 0.000 0.985 211 E CA 2.831 59.078 56.400 -0.256 0.000 0.801 211 E CB -0.456 28.949 29.700 -0.493 0.000 0.750 211 E HN -0.508 7.453 8.360 -0.445 0.132 0.452 212 R N -0.587 119.641 120.500 -0.453 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.925 176.300 -0.174 0.000 1.131 212 R CA 3.313 59.207 56.100 -0.344 0.000 0.960 212 R CB -0.134 29.939 30.300 -0.378 0.000 0.856 212 R HN -0.458 7.354 8.270 -0.637 0.076 0.436 213 L N -1.178 119.960 121.223 -0.141 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.578 176.870 -0.042 0.000 1.083 213 L CA 3.120 57.909 54.840 -0.084 0.000 0.752 213 L CB -0.574 41.437 42.059 -0.081 0.000 0.899 213 L HN -0.046 8.078 8.230 -0.176 0.000 0.433 214 S N 0.609 116.318 115.700 0.016 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.243 174.600 0.016 0.000 1.027 214 S CA 3.961 62.206 58.200 0.076 0.000 0.991 214 S CB -0.430 62.852 63.200 0.135 0.000 0.823 214 S HN -0.020 8.185 8.310 -0.001 0.105 0.469 215 N N -2.067 116.625 118.700 -0.013 0.000 2.396 215 N HA -0.229 nan 4.740 nan 0.000 0.180 215 N C 0.314 175.806 175.510 -0.031 0.000 1.028 215 N CA 1.407 54.446 53.050 -0.018 0.000 0.893 215 N CB 0.307 38.773 38.487 -0.034 0.000 0.967 215 N HN -0.228 8.028 8.380 -0.035 0.104 0.440 216 G N -2.598 106.174 108.800 -0.047 0.000 2.144 216 G HA2 -0.266 nan 3.960 nan 0.000 0.218 216 G HA3 -0.266 nan 3.960 nan 0.000 0.218 216 G C -0.759 174.113 174.900 -0.048 0.000 0.988 216 G CA -0.109 44.961 45.100 -0.050 0.000 0.659 216 G HN -0.431 7.640 8.290 -0.054 0.187 0.522 217 L N -1.048 120.138 121.223 -0.061 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.601 176.230 176.870 -0.066 0.000 1.058 217 L CA -1.277 53.528 54.840 -0.058 0.000 0.803 217 L CB 1.856 43.872 42.059 -0.073 0.000 1.212 217 L HN 0.199 8.245 8.230 -0.073 0.140 0.451 218 Q N -2.322 117.451 119.800 -0.046 0.000 2.318 218 Q HA 0.149 nan 4.340 nan 0.000 0.222 218 Q C -0.548 175.422 176.000 -0.050 0.000 1.003 218 Q CA -0.755 55.023 55.803 -0.042 0.000 0.936 218 Q CB 1.123 29.848 28.738 -0.022 0.000 1.204 218 Q HN 0.035 8.286 8.270 -0.032 0.000 0.524 219 R N -0.798 119.676 120.500 -0.044 0.000 2.641 219 R HA -0.066 nan 4.340 nan 0.000 0.269 219 R C 0.109 176.416 176.300 0.011 0.000 1.074 219 R CA 0.082 56.159 56.100 -0.038 0.000 1.133 219 R CB 0.604 30.882 30.300 -0.037 0.000 1.029 219 R HN -0.255 8.196 8.270 -0.044 -0.207 0.488 220 M N 1.510 121.145 119.600 0.059 0.000 2.248 220 M HA -0.067 nan 4.480 nan 0.000 0.337 220 M C 0.523 176.881 176.300 0.096 0.000 1.121 220 M CA 0.275 55.647 55.300 0.120 0.000 1.155 220 M CB 0.583 33.313 32.600 0.216 0.000 1.514 220 M HN 0.084 8.590 8.290 0.054 -0.184 0.452 221 I N 3.083 123.715 120.570 0.103 0.000 2.460 221 I HA 0.444 nan 4.170 nan 0.000 0.298 221 I C -1.633 174.562 176.117 0.130 0.000 0.989 221 I CA -3.451 57.903 61.300 0.091 0.000 1.173 221 I CB 1.722 39.766 38.000 0.074 0.000 1.338 221 I HN -0.041 8.239 8.210 0.117 0.000 0.456 222 P HA -0.002 nan 4.420 nan 0.000 0.270 222 P C -1.010 176.441 177.300 0.252 0.000 1.223 222 P CA -0.557 62.664 63.100 0.202 0.000 0.785 222 P CB 0.580 32.407 31.700 0.212 0.000 0.923 223 F N 3.325 123.307 119.950 0.053 0.000 2.666 223 F HA -0.057 nan 4.527 nan 0.000 0.362 223 F C -1.032 174.625 175.800 -0.238 0.000 1.190 223 F CA -1.574 56.356 58.000 -0.116 0.000 1.328 223 F CB -1.400 37.485 39.000 -0.190 0.000 1.682 223 F HN -0.152 8.262 8.300 0.320 0.078 0.623 224 H N 2.406 121.414 119.070 -0.104 0.000 2.321 224 H HA -0.220 nan 4.556 nan 0.000 0.300 224 H C -0.530 174.705 175.328 -0.154 0.000 1.087 224 H CA 2.877 58.963 56.048 0.063 0.000 1.319 224 H CB 0.554 30.382 29.762 0.110 0.000 1.379 224 H HN -0.322 7.984 8.280 0.167 0.074 0.501 225 N N -2.924 115.586 118.700 -0.317 0.000 2.456 225 N HA -0.057 nan 4.740 nan 0.000 0.288 225 N C -0.591 174.475 175.510 -0.739 0.000 1.059 225 N CA -0.899 51.951 53.050 -0.333 0.000 0.946 225 N CB 0.483 38.878 38.487 -0.153 0.000 1.150 225 N HN -0.435 7.765 8.380 -0.300 0.000 0.479 226 F N 2.784 122.362 119.950 -0.620 0.000 2.335 226 F HA -0.014 nan 4.527 nan 0.000 0.296 226 F C 1.081 176.722 175.800 -0.265 0.000 1.091 226 F CA 2.630 60.315 58.000 -0.525 0.000 1.399 226 F CB 0.388 39.268 39.000 -0.200 0.000 1.067 226 F HN 0.368 8.720 8.300 0.087 0.000 0.520 227 D N -1.433 118.949 120.400 -0.031 0.000 2.158 227 D HA -0.254 nan 4.640 nan 0.000 0.197 227 D C 0.905 177.197 176.300 -0.012 0.000 0.995 227 D CA 2.546 56.537 54.000 -0.015 0.000 0.846 227 D CB -0.282 40.502 40.800 -0.025 0.000 0.941 227 D HN -0.365 8.303 8.370 -0.037 -0.319 0.456 228 E N -1.324 118.833 120.200 -0.073 0.000 2.413 228 E HA 0.039 nan 4.350 nan 0.000 0.263 228 E C -1.649 175.028 176.600 0.129 0.000 1.015 228 E CA -1.324 55.080 56.400 0.006 0.000 0.916 228 E CB -0.747 28.939 29.700 -0.022 0.000 0.947 228 E HN -0.141 8.070 8.360 -0.198 0.030 0.440 229 P HA 0.162 nan 4.420 nan 0.000 0.275 229 P C -1.477 175.920 177.300 0.162 0.000 1.228 229 P CA -0.237 62.942 63.100 0.133 0.000 0.786 229 P CB 0.635 32.383 31.700 0.079 0.000 0.927 230 L N 1.268 122.578 121.223 0.145 0.000 2.399 230 L HA 0.167 nan 4.340 nan 0.000 0.265 230 L C -0.082 176.834 176.870 0.075 0.000 1.089 230 L CA -0.602 54.298 54.840 0.099 0.000 0.802 230 L CB 0.798 42.868 42.059 0.019 0.000 1.180 230 L HN 0.289 8.508 8.230 0.149 0.101 0.454 231 E N 0.535 120.778 120.200 0.070 0.000 2.366 231 E HA -0.034 nan 4.350 nan 0.000 0.266 231 E C 0.028 176.677 176.600 0.083 0.000 1.051 231 E CA 0.059 56.502 56.400 0.072 0.000 0.884 231 E CB 0.817 30.570 29.700 0.089 0.000 1.006 231 E HN 0.140 8.539 8.360 0.065 0.000 0.417 232 G N 0.026 108.874 108.800 0.079 0.000 2.476 232 G HA2 0.148 nan 3.960 nan 0.000 0.286 232 G HA3 0.148 nan 3.960 nan 0.000 0.286 232 G C -2.024 172.988 174.900 0.187 0.000 1.177 232 G CA -0.365 44.794 45.100 0.097 0.000 0.870 232 G HN -0.030 8.295 8.290 0.059 0.000 0.528 233 Y N 2.566 122.890 120.300 0.039 0.000 2.441 233 Y HA 0.103 nan 4.550 nan 0.000 0.334 233 Y C -2.888 173.032 175.900 0.034 0.000 1.061 233 Y CA -0.222 57.908 58.100 0.050 0.000 1.032 233 Y CB 3.107 41.597 38.460 0.050 0.000 1.266 233 Y HN 0.201 8.581 8.280 0.167 0.000 0.441 234 A N 6.504 128.874 122.820 -0.750 0.000 2.291 234 A HA 0.476 nan 4.320 nan 0.000 0.311 234 A C -1.914 175.183 177.584 -0.811 0.000 1.224 234 A CA -3.622 48.059 52.037 -0.594 0.000 0.821 234 A CB 0.672 19.377 19.000 -0.491 0.000 1.172 234 A HN 0.408 7.966 8.150 -0.986 0.000 0.494 235 P HA -0.110 nan 4.420 nan 0.000 0.220 235 P C -0.786 176.571 177.300 0.095 0.000 1.152 235 P CA 1.015 64.081 63.100 -0.057 0.000 0.812 235 P CB 0.345 32.123 31.700 0.131 0.000 0.792 236 H N -5.676 113.389 119.070 -0.007 0.000 2.756 236 H HA -0.322 nan 4.556 nan 0.000 0.315 236 H C -1.604 173.776 175.328 0.087 0.000 1.210 236 H CA 0.312 56.382 56.048 0.036 0.000 1.150 236 H CB -1.875 27.902 29.762 0.026 0.000 1.463 236 H HN 0.274 8.339 8.280 -0.358 0.000 0.427 237 L N -2.895 118.450 121.223 0.204 0.000 2.346 237 L HA 0.581 nan 4.340 nan 0.000 0.274 237 L C -0.489 176.516 176.870 0.225 0.000 1.007 237 L CA -0.849 54.137 54.840 0.243 0.000 0.818 237 L CB 2.379 44.649 42.059 0.351 0.000 1.284 237 L HN -0.332 8.005 8.230 0.178 0.000 0.424 238 T N -1.516 113.142 114.554 0.174 0.000 2.940 238 T HA 0.578 nan 4.350 nan 0.000 0.288 238 T C -0.306 174.447 174.700 0.088 0.000 1.033 238 T CA -2.189 59.974 62.100 0.105 0.000 1.033 238 T CB 2.164 71.086 68.868 0.089 0.000 1.079 238 T HN 0.325 8.673 8.240 0.181 0.000 0.496 239 S N 1.822 117.531 115.700 0.016 0.000 2.520 239 S HA 0.435 nan 4.470 nan 0.000 0.324 239 S C 1.516 176.147 174.600 0.052 0.000 1.069 239 S CA -1.910 56.304 58.200 0.022 0.000 1.121 239 S CB 0.520 63.678 63.200 -0.069 0.000 0.971 239 S HN 0.629 8.837 8.310 -0.007 0.097 0.463 240 L N 1.603 122.880 121.223 0.091 0.000 2.141 240 L HA -0.117 nan 4.340 nan 0.000 0.209 240 L C 0.594 177.508 176.870 0.074 0.000 1.094 240 L CA 2.640 57.528 54.840 0.080 0.000 0.763 240 L CB -0.790 41.323 42.059 0.091 0.000 0.908 240 L HN -0.186 8.278 8.230 0.120 -0.161 0.437 241 V N -6.469 113.502 119.914 0.095 0.000 2.453 241 V HA -0.247 nan 4.120 nan 0.000 0.252 241 V C 0.339 176.471 176.094 0.063 0.000 1.068 241 V CA 1.179 63.536 62.300 0.094 0.000 1.070 241 V CB -0.646 31.252 31.823 0.126 0.000 0.664 241 V HN 0.240 8.453 8.190 0.115 0.045 0.461 242 S N -0.587 115.140 115.700 0.046 0.000 2.900 242 S HA 0.395 nan 4.470 nan 0.000 0.320 242 S C 0.760 175.375 174.600 0.024 0.000 1.130 242 S CA -1.097 57.122 58.200 0.030 0.000 0.863 242 S CB 2.243 65.456 63.200 0.021 0.000 1.295 242 S HN -0.670 7.527 8.310 0.045 0.140 0.596 243 G N 0.852 109.662 108.800 0.016 0.000 2.464 243 G HA2 -0.025 nan 3.960 nan 0.000 0.217 243 G HA3 -0.025 nan 3.960 nan 0.000 0.217 243 G C 0.015 174.919 174.900 0.005 0.000 1.138 243 G CA 0.754 45.862 45.100 0.014 0.000 0.793 243 G HN 0.090 8.389 8.290 0.015 0.000 0.539 244 L N -0.518 120.700 121.223 -0.009 0.000 2.482 244 L HA -0.067 nan 4.340 nan 0.000 0.273 244 L C -0.944 175.888 176.870 -0.062 0.000 1.228 244 L CA 0.719 55.539 54.840 -0.034 0.000 0.827 244 L CB 0.360 42.391 42.059 -0.047 0.000 1.099 244 L HN -0.443 7.728 8.230 -0.005 0.056 0.494 245 Q N -2.260 117.494 119.800 -0.076 0.000 2.605 245 Q HA 0.427 nan 4.340 nan 0.000 0.296 245 Q C -1.609 174.313 176.000 -0.131 0.000 1.056 245 Q CA -1.999 53.754 55.803 -0.083 0.000 0.778 245 Q CB 3.279 32.026 28.738 0.015 0.000 1.497 245 Q HN -0.182 8.053 8.270 -0.060 0.000 0.443 246 Y N -0.617 119.700 120.300 0.028 0.000 2.442 246 Y HA -0.215 nan 4.550 nan 0.000 0.330 246 Y C -0.207 175.698 175.900 0.009 0.000 1.129 246 Y CA 0.841 58.959 58.100 0.031 0.000 1.365 246 Y CB 0.400 38.888 38.460 0.047 0.000 1.233 246 Y HN -0.443 7.935 8.280 0.162 0.000 0.529 247 A N 5.429 128.333 122.820 0.140 0.000 2.425 247 A HA 0.060 nan 4.320 nan 0.000 0.249 247 A C -1.314 176.312 177.584 0.070 0.000 1.084 247 A CA -0.253 51.823 52.037 0.065 0.000 0.781 247 A CB 0.821 19.841 19.000 0.033 0.000 1.019 247 A HN -0.249 7.989 8.150 0.146 0.000 0.490 248 S N 1.855 117.562 115.700 0.010 0.000 2.645 248 S HA 0.339 nan 4.470 nan 0.000 0.266 248 S C -0.216 174.409 174.600 0.041 0.000 1.258 248 S CA -0.697 57.497 58.200 -0.011 0.000 0.990 248 S CB 1.089 64.224 63.200 -0.107 0.000 0.967 248 S HN 0.095 8.396 8.310 -0.015 0.000 0.556 249 R N 0.668 121.208 120.500 0.068 0.000 2.439 249 R HA 0.495 nan 4.340 nan 0.000 0.310 249 R C -2.648 173.706 176.300 0.090 0.000 0.955 249 R CA -3.081 53.102 56.100 0.139 0.000 0.853 249 R CB 2.818 33.220 30.300 0.169 0.000 1.171 249 R HN 0.271 8.569 8.270 0.047 0.000 0.449 250 P HA 0.101 nan 4.420 nan 0.000 0.286 250 P C -1.533 175.642 177.300 -0.208 0.000 1.261 250 P CA -0.912 62.134 63.100 -0.089 0.000 0.821 250 P CB 0.680 32.300 31.700 -0.135 0.000 1.013 251 E N 1.873 121.990 120.200 -0.139 0.000 2.447 251 E HA -0.317 nan 4.350 nan 0.000 0.259 251 E C 0.819 177.274 176.600 -0.241 0.000 1.196 251 E CA -0.100 56.231 56.400 -0.114 0.000 0.995 251 E CB -0.187 29.487 29.700 -0.043 0.000 0.974 251 E HN 0.003 8.306 8.360 -0.094 0.000 0.465 252 G N -0.573 108.156 108.800 -0.118 0.000 2.137 252 G HA2 -0.449 nan 3.960 nan 0.000 0.237 252 G HA3 -0.449 nan 3.960 nan 0.000 0.237 252 G C -1.428 173.430 174.900 -0.069 0.000 1.002 252 G CA 0.101 45.139 45.100 -0.102 0.000 0.702 252 G HN 0.172 8.440 8.290 -0.036 0.000 0.515 253 Y N -0.096 120.223 120.300 0.032 0.000 2.353 253 Y HA 0.003 nan 4.550 nan 0.000 0.340 253 Y C -1.117 174.783 175.900 -0.001 0.000 0.972 253 Y CA -2.250 55.864 58.100 0.024 0.000 1.157 253 Y CB 1.207 39.691 38.460 0.039 0.000 1.157 253 Y HN -0.867 7.411 8.280 0.057 0.037 0.495 254 S N 2.883 118.657 115.700 0.124 0.000 2.632 254 S HA 0.222 nan 4.470 nan 0.000 0.267 254 S C -1.043 173.487 174.600 -0.117 0.000 1.276 254 S CA -1.523 56.692 58.200 0.025 0.000 0.998 254 S CB 0.893 64.083 63.200 -0.017 0.000 0.953 254 S HN 0.315 8.699 8.310 0.124 0.000 0.547 255 I N 2.969 123.528 120.570 -0.018 0.000 2.529 255 I HA -0.012 nan 4.170 nan 0.000 0.284 255 I C -1.723 174.334 176.117 -0.101 0.000 1.082 255 I CA -0.513 60.782 61.300 -0.008 0.000 1.406 255 I CB 0.741 38.832 38.000 0.152 0.000 1.405 255 I HN 0.280 8.534 8.210 0.073 0.000 0.548 256 H N 7.060 126.145 119.070 0.025 0.000 2.616 256 H HA 0.239 nan 4.556 nan 0.000 0.353 256 H C -1.252 174.075 175.328 -0.002 0.000 1.170 256 H CA -1.311 54.740 56.048 0.005 0.000 1.212 256 H CB 2.426 32.177 29.762 -0.018 0.000 1.653 256 H HN 0.236 8.582 8.280 0.110 0.000 0.537 257 D N 0.757 121.235 120.400 0.130 0.000 2.372 257 D HA 0.215 nan 4.640 nan 0.000 0.243 257 D C -0.643 175.681 176.300 0.040 0.000 1.121 257 D CA 0.490 54.512 54.000 0.037 0.000 0.898 257 D CB 0.716 41.514 40.800 -0.003 0.000 1.202 257 D HN 0.131 8.595 8.370 0.157 0.000 0.428 258 L N 0.662 121.892 121.223 0.012 0.000 2.304 258 L HA 0.336 nan 4.340 nan 0.000 0.268 258 L C 0.139 177.012 176.870 0.004 0.000 1.010 258 L CA -1.371 53.488 54.840 0.032 0.000 0.813 258 L CB 2.424 44.529 42.059 0.077 0.000 1.315 258 L HN 0.654 8.868 8.230 -0.026 0.000 0.445 259 S N 0.455 116.168 115.700 0.022 0.000 2.368 259 S HA -0.259 nan 4.470 nan 0.000 0.225 259 S C 0.923 175.527 174.600 0.006 0.000 1.030 259 S CA 3.336 61.542 58.200 0.010 0.000 0.999 259 S CB 0.176 63.387 63.200 0.017 0.000 0.844 259 S HN 1.048 9.382 8.310 0.040 0.000 0.459 260 D N -1.707 118.722 120.400 0.049 0.000 2.117 260 D HA -0.047 nan 4.640 nan 0.000 0.198 260 D C -0.981 175.225 176.300 -0.156 0.000 0.982 260 D CA 1.751 55.799 54.000 0.080 0.000 0.828 260 D CB 0.537 41.570 40.800 0.388 0.000 0.967 260 D HN 0.136 8.557 8.370 0.082 -0.003 0.464 261 V N -2.174 117.579 119.914 -0.268 0.000 2.851 261 V HA 0.174 nan 4.120 nan 0.000 0.307 261 V C -2.048 173.880 176.094 -0.277 0.000 1.129 261 V CA -1.634 60.397 62.300 -0.449 0.000 0.932 261 V CB 3.785 35.024 31.823 -0.973 0.000 1.024 261 V HN -0.537 7.477 8.190 -0.137 0.093 0.426 262 D N 4.310 124.543 120.400 -0.277 0.000 2.348 262 D HA 0.103 nan 4.640 nan 0.000 0.253 262 D C 1.399 177.525 176.300 -0.290 0.000 1.161 262 D CA -0.501 53.361 54.000 -0.230 0.000 0.876 262 D CB 0.390 41.068 40.800 -0.204 0.000 1.160 262 D HN 0.033 8.222 8.370 -0.302 0.000 0.459 263 V N 4.176 123.975 119.914 -0.191 0.000 2.439 263 V HA -0.504 nan 4.120 nan 0.000 0.253 263 V C 1.490 177.375 176.094 -0.348 0.000 1.074 263 V CA 4.011 66.200 62.300 -0.185 0.000 1.076 263 V CB -1.086 30.707 31.823 -0.051 0.000 0.664 263 V HN 0.444 8.816 8.190 -0.123 -0.256 0.461 264 Q N -1.091 118.510 119.800 -0.333 0.000 2.119 264 Q HA -0.414 nan 4.340 nan 0.000 0.201 264 Q C 1.590 177.277 176.000 -0.522 0.000 0.972 264 Q CA 3.420 58.997 55.803 -0.376 0.000 0.847 264 Q CB -0.355 28.219 28.738 -0.273 0.000 0.903 264 Q HN 0.002 8.080 8.270 -0.264 0.034 0.433 265 D N 0.454 120.447 120.400 -0.677 0.000 2.149 265 D HA -0.192 nan 4.640 nan 0.000 0.201 265 D C 2.262 177.555 176.300 -1.679 0.000 0.972 265 D CA 2.692 56.044 54.000 -1.080 0.000 0.835 265 D CB -0.231 39.911 40.800 -1.096 0.000 0.966 265 D HN -0.367 7.543 8.370 -0.597 0.103 0.476 266 M N -0.731 118.104 119.600 -1.275 0.000 2.113 266 M HA -0.474 nan 4.480 nan 0.000 0.255 266 M C 2.426 178.494 176.300 -0.386 0.000 1.073 266 M CA 3.531 58.544 55.300 -0.478 0.000 1.091 266 M CB -0.957 31.540 32.600 -0.172 0.000 1.309 266 M HN -0.652 6.946 8.290 -1.153 0.000 0.407 267 V N -0.975 118.579 119.914 -0.600 0.000 2.295 267 V HA -0.497 nan 4.120 nan 0.000 0.246 267 V C 2.313 178.235 176.094 -0.286 0.000 1.049 267 V CA 4.149 66.134 62.300 -0.525 0.000 1.024 267 V CB -1.161 30.342 31.823 -0.534 0.000 0.648 267 V HN -0.226 7.470 8.190 -0.636 0.112 0.447 268 R N -0.713 119.587 120.500 -0.333 0.000 2.094 268 R HA -0.423 nan 4.340 nan 0.000 0.239 268 R C 2.123 178.368 176.300 -0.091 0.000 1.137 268 R CA 3.729 59.691 56.100 -0.231 0.000 0.943 268 R CB -0.229 29.890 30.300 -0.302 0.000 0.850 268 R HN 0.235 8.243 8.270 -0.437 0.000 0.433 269 W N -1.931 119.313 121.300 -0.093 0.000 2.302 269 W HA -0.313 nan 4.660 nan 0.000 0.320 269 W C 2.267 178.789 176.519 0.005 0.000 1.241 269 W CA 1.882 59.193 57.345 -0.055 0.000 1.264 269 W CB -1.035 28.439 29.460 0.024 0.000 1.154 269 W HN 0.479 8.293 8.180 -0.423 0.113 0.483 270 R N -2.110 118.551 120.500 0.269 0.000 2.105 270 R HA -0.434 nan 4.340 nan 0.000 0.239 270 R C 2.102 178.470 176.300 0.113 0.000 1.135 270 R CA 3.569 59.803 56.100 0.223 0.000 0.967 270 R CB -0.381 30.101 30.300 0.302 0.000 0.861 270 R HN -0.232 8.176 8.270 0.230 0.000 0.442 271 E N -1.106 119.132 120.200 0.063 0.000 2.112 271 E HA -0.198 nan 4.350 nan 0.000 0.190 271 E C 2.575 179.205 176.600 0.050 0.000 0.979 271 E CA 2.659 59.079 56.400 0.033 0.000 0.814 271 E CB -0.385 29.311 29.700 -0.006 0.000 0.762 271 E HN -0.425 7.821 8.360 0.041 0.139 0.460 272 R N -0.091 120.445 120.500 0.060 0.000 2.091 272 R HA -0.290 nan 4.340 nan 0.000 0.238 272 R C 2.736 179.139 176.300 0.171 0.000 1.136 272 R CA 3.606 59.755 56.100 0.082 0.000 0.959 272 R CB -0.110 30.111 30.300 -0.131 0.000 0.856 272 R HN 0.352 8.544 8.270 0.047 0.107 0.437 273 I N -0.395 120.262 120.570 0.145 0.000 2.202 273 I HA -0.470 nan 4.170 nan 0.000 0.242 273 I C 2.012 178.118 176.117 -0.018 0.000 1.091 273 I CA 3.860 65.193 61.300 0.056 0.000 1.368 273 I CB -0.136 37.859 38.000 -0.009 0.000 1.058 273 I HN 0.004 8.169 8.210 0.126 0.120 0.410 274 L N -1.317 119.896 121.223 -0.015 0.000 2.017 274 L HA -0.517 nan 4.340 nan 0.000 0.208 274 L C 1.778 178.631 176.870 -0.030 0.000 1.073 274 L CA 3.378 58.192 54.840 -0.043 0.000 0.745 274 L CB -0.752 41.287 42.059 -0.033 0.000 0.894 274 L HN -0.251 7.987 8.230 0.013 0.000 0.432 275 D N -0.614 119.789 120.400 0.004 0.000 2.133 275 D HA -0.413 nan 4.640 nan 0.000 0.192 275 D C 1.897 178.172 176.300 -0.042 0.000 1.001 275 D CA 3.837 57.838 54.000 0.002 0.000 0.844 275 D CB 0.272 41.098 40.800 0.044 0.000 0.944 275 D HN 0.176 8.454 8.370 0.024 0.107 0.447 276 A N -1.811 120.999 122.820 -0.017 0.000 2.168 276 A HA -0.147 nan 4.320 nan 0.000 0.215 276 A C 2.196 179.694 177.584 -0.144 0.000 1.152 276 A CA 2.374 54.352 52.037 -0.099 0.000 0.716 276 A CB -0.571 18.480 19.000 0.085 0.000 0.794 276 A HN -0.314 7.872 8.150 0.060 0.000 0.465 277 I N -1.272 119.234 120.570 -0.107 0.000 2.162 277 I HA -0.602 nan 4.170 nan 0.000 0.238 277 I C 2.428 178.414 176.117 -0.217 0.000 1.076 277 I CA 3.972 65.208 61.300 -0.108 0.000 1.353 277 I CB -0.233 37.730 38.000 -0.061 0.000 1.063 277 I HN -0.408 7.657 8.210 -0.082 0.095 0.408 278 N N 0.954 119.569 118.700 -0.143 0.000 2.036 278 N HA -0.362 nan 4.740 nan 0.000 0.195 278 N C 2.266 177.775 175.510 -0.002 0.000 1.037 278 N CA 3.228 56.227 53.050 -0.085 0.000 0.855 278 N CB -0.322 38.139 38.487 -0.044 0.000 1.033 278 N HN -0.443 7.873 8.380 -0.106 0.000 0.423 279 M N -2.847 116.694 119.600 -0.097 0.000 2.629 279 M HA -0.278 nan 4.480 nan 0.000 0.257 279 M C -0.550 175.732 176.300 -0.029 0.000 1.071 279 M CA 2.193 57.406 55.300 -0.146 0.000 1.077 279 M CB -0.258 32.020 32.600 -0.536 0.000 1.423 279 M HN 0.023 8.230 8.290 -0.138 0.000 0.508 280 H N -6.739 112.245 119.070 -0.143 0.000 3.179 280 H HA -0.411 nan 4.556 nan 0.000 0.250 280 H C -1.528 173.854 175.328 0.090 0.000 1.142 280 H CA 1.977 58.012 56.048 -0.023 0.000 1.165 280 H CB -2.523 27.236 29.762 -0.004 0.000 1.253 280 H HN -0.308 7.679 8.280 -0.124 0.218 0.325 281 Y N -7.800 112.586 120.300 0.143 0.000 2.597 281 Y HA 0.834 nan 4.550 nan 0.000 0.340 281 Y C -2.800 173.176 175.900 0.127 0.000 1.097 281 Y CA -2.614 55.559 58.100 0.121 0.000 1.037 281 Y CB 2.969 41.492 38.460 0.105 0.000 1.305 281 Y HN -0.754 7.244 8.280 -0.397 0.044 0.463 282 I N -4.520 116.267 120.570 0.362 0.000 2.846 282 I HA 0.740 nan 4.170 nan 0.000 0.307 282 I C -1.521 174.870 176.117 0.457 0.000 1.053 282 I CA -2.485 59.023 61.300 0.346 0.000 1.050 282 I CB 4.167 42.253 38.000 0.143 0.000 1.239 282 I HN 0.483 8.910 8.210 0.362 0.000 0.439 283 V N -3.596 116.624 119.914 0.511 0.000 2.427 283 V HA 0.551 nan 4.120 nan 0.000 0.286 283 V C -0.760 175.508 176.094 0.290 0.000 1.034 283 V CA -2.807 59.682 62.300 0.315 0.000 0.893 283 V CB 0.373 32.293 31.823 0.161 0.000 0.982 283 V HN 0.451 9.083 8.190 0.737 0.000 0.452 284 D N 7.281 127.787 120.400 0.176 0.000 2.433 284 D HA 0.319 nan 4.640 nan 0.000 0.255 284 D C 1.349 177.709 176.300 0.101 0.000 1.226 284 D CA -1.308 52.781 54.000 0.149 0.000 1.015 284 D CB 1.545 42.404 40.800 0.097 0.000 1.091 284 D HN 0.556 8.900 8.370 0.134 0.107 0.527 285 K N 0.608 121.061 120.400 0.088 0.000 2.097 285 K HA -0.289 nan 4.320 nan 0.000 0.206 285 K C 0.858 177.476 176.600 0.031 0.000 1.049 285 K CA 2.889 59.211 56.287 0.058 0.000 0.933 285 K CB -0.536 31.997 32.500 0.056 0.000 0.717 285 K HN 0.273 8.583 8.250 0.099 0.000 0.442 286 D N -5.418 115.000 120.400 0.031 0.000 2.350 286 D HA -0.145 nan 4.640 nan 0.000 0.216 286 D C -0.177 176.126 176.300 0.005 0.000 0.968 286 D CA 0.104 54.113 54.000 0.016 0.000 0.894 286 D CB -1.081 39.729 40.800 0.017 0.000 0.909 286 D HN -0.331 8.041 8.370 0.043 0.025 0.520 287 N N -3.092 115.612 118.700 0.007 0.000 2.901 287 N HA -0.461 nan 4.740 nan 0.000 0.248 287 N C -1.351 174.153 175.510 -0.011 0.000 1.044 287 N CA 1.221 54.264 53.050 -0.012 0.000 0.847 287 N CB -1.484 36.985 38.487 -0.031 0.000 1.127 287 N HN 0.100 8.270 8.380 0.023 0.224 0.562 288 N N -0.873 117.831 118.700 0.006 0.000 2.476 288 N HA 0.134 nan 4.740 nan 0.000 0.275 288 N C -1.307 174.210 175.510 0.012 0.000 1.190 288 N CA 0.129 53.176 53.050 -0.005 0.000 0.977 288 N CB 1.721 40.209 38.487 0.002 0.000 1.200 288 N HN 0.026 8.736 8.380 0.024 -0.316 0.515 289 K N 0.411 120.794 120.400 -0.027 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.619 176.600 0.050 0.000 0.957 289 K CA -0.873 55.416 56.287 0.003 0.000 0.842 289 K CB 1.341 33.695 32.500 -0.243 0.000 1.099 289 K HN 0.022 8.240 8.250 -0.053 0.000 0.438 290 I N -0.769 119.880 120.570 0.132 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.374 173.841 176.117 0.163 0.000 1.005 290 I CA -3.530 57.833 61.300 0.104 0.000 1.113 290 I CB 2.186 40.234 38.000 0.079 0.000 1.289 290 I HN 0.568 8.898 8.210 0.201 0.000 0.436 291 P HA 0.222 nan 4.420 nan 0.000 0.275 291 P C -0.969 176.450 177.300 0.198 0.000 1.228 291 P CA -0.568 62.645 63.100 0.188 0.000 0.786 291 P CB 0.325 32.116 31.700 0.150 0.000 0.927 292 L N 3.402 124.772 121.223 0.246 0.000 2.387 292 L HA -0.044 nan 4.340 nan 0.000 0.267 292 L C -0.548 176.552 176.870 0.384 0.000 1.197 292 L CA -0.696 54.330 54.840 0.309 0.000 1.070 292 L CB -1.198 41.100 42.059 0.398 0.000 1.349 292 L HN 0.406 8.691 8.230 0.259 0.100 0.422 293 D N 4.354 124.965 120.400 0.353 0.000 2.357 293 D HA 0.001 nan 4.640 nan 0.000 0.242 293 D C 1.063 177.657 176.300 0.490 0.000 1.153 293 D CA -0.603 53.623 54.000 0.377 0.000 0.918 293 D CB 2.218 43.255 40.800 0.396 0.000 1.181 293 D HN -0.401 8.111 8.370 0.293 0.033 0.435 294 I N 2.618 123.480 120.570 0.488 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.465 177.669 176.117 0.145 0.000 1.100 294 I CA 3.504 65.095 61.300 0.486 0.000 1.374 294 I CB 0.035 38.264 38.000 0.381 0.000 1.057 294 I HN 0.147 8.596 8.210 0.398 0.000 0.413 295 E N -1.320 118.951 120.200 0.120 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.587 178.103 176.600 -0.139 0.000 0.988 295 E CA 2.583 58.938 56.400 -0.074 0.000 0.799 295 E CB -0.148 29.417 29.700 -0.225 0.000 0.755 295 E HN 0.309 8.934 8.360 0.197 -0.146 0.447 296 H N -2.094 117.032 119.070 0.093 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.856 177.227 175.328 0.072 0.000 1.033 296 H CA 1.594 57.689 56.048 0.078 0.000 1.331 296 H CB -0.284 29.530 29.762 0.086 0.000 1.414 296 H HN -0.053 8.360 8.280 0.221 0.000 0.545 297 G N -1.008 107.942 108.800 0.249 0.000 2.476 297 G HA2 -0.410 nan 3.960 nan 0.000 0.218 297 G HA3 -0.410 nan 3.960 nan 0.000 0.218 297 G C 0.723 175.565 174.900 -0.097 0.000 1.164 297 G CA 2.707 47.923 45.100 0.195 0.000 0.768 297 G HN 0.332 8.664 8.290 0.291 0.132 0.560 298 T N 3.307 117.818 114.554 -0.072 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.749 176.435 174.700 -0.024 0.000 1.039 298 T CA 4.948 66.974 62.100 -0.123 0.000 1.142 298 T CB -0.538 68.260 68.868 -0.116 0.000 0.866 298 T HN -0.052 8.184 8.240 -0.007 0.000 0.444 299 D N 1.925 122.335 120.400 0.016 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.956 176.300 0.053 0.000 0.989 299 D CA 2.934 56.968 54.000 0.056 0.000 0.827 299 D CB -0.326 40.516 40.800 0.069 0.000 0.966 299 D HN -0.447 7.913 8.370 0.019 0.021 0.456 300 I N -2.711 117.879 120.570 0.034 0.000 2.226 300 I HA -0.381 nan 4.170 nan 0.000 0.245 300 I C 1.672 177.755 176.117 -0.057 0.000 1.100 300 I CA 3.365 64.668 61.300 0.005 0.000 1.374 300 I CB -0.287 37.719 38.000 0.010 0.000 1.057 300 I HN -0.510 7.729 8.210 0.049 0.000 0.413 301 L N 0.415 121.576 121.223 -0.103 0.000 2.093 301 L HA -0.211 nan 4.340 nan 0.000 0.208 301 L C 1.868 178.746 176.870 0.014 0.000 1.085 301 L CA 2.732 57.482 54.840 -0.150 0.000 0.755 301 L CB -0.655 41.243 42.059 -0.268 0.000 0.904 301 L HN -0.107 7.966 8.230 -0.115 0.088 0.435 302 G N -2.408 106.498 108.800 0.176 0.000 2.418 302 G HA2 -0.492 nan 3.960 nan 0.000 0.217 302 G HA3 -0.492 nan 3.960 nan 0.000 0.217 302 G C 0.614 175.550 174.900 0.060 0.000 1.158 302 G CA 2.610 47.889 45.100 0.298 0.000 0.771 302 G HN 0.288 8.532 8.290 0.121 0.120 0.545 303 D N 1.235 121.646 120.400 0.018 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.372 178.633 176.300 -0.065 0.000 0.978 303 D CA 2.834 56.819 54.000 -0.024 0.000 0.833 303 D CB -0.479 40.329 40.800 0.013 0.000 0.961 303 D HN -0.274 8.120 8.370 0.041 0.000 0.470 304 I N 0.000 120.517 120.570 -0.090 0.000 2.252 304 I HA -0.360 nan 4.170 nan 0.000 0.245 304 I C 1.737 177.787 176.117 -0.112 0.000 1.102 304 I CA 3.659 64.877 61.300 -0.136 0.000 1.385 304 I CB 0.053 37.868 38.000 -0.307 0.000 1.064 304 I HN -0.716 7.441 8.210 -0.088 0.000 0.414 305 I N -0.932 119.584 120.570 -0.091 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.086 177.209 176.117 0.011 0.000 1.102 305 I CA 1.710 62.997 61.300 -0.021 0.000 1.385 305 I CB -0.312 37.691 38.000 0.004 0.000 1.064 305 I HN 0.009 8.169 8.210 -0.083 0.000 0.414 306 E N -0.451 119.639 120.200 -0.183 0.000 2.023 306 E HA -0.394 nan 4.350 nan 0.000 0.196 306 E C -0.999 175.566 176.600 -0.058 0.000 1.003 306 E CA 3.875 60.054 56.400 -0.369 0.000 0.809 306 E CB 0.071 29.331 29.700 -0.733 0.000 0.755 306 E HN -0.440 7.796 8.360 -0.206 0.000 0.449 307 S N -3.898 111.753 115.700 -0.082 0.000 2.638 307 S HA 0.443 nan 4.470 nan 0.000 0.298 307 S C -0.643 173.904 174.600 -0.089 0.000 1.111 307 S CA -2.035 56.099 58.200 -0.111 0.000 1.027 307 S CB 2.416 65.562 63.200 -0.089 0.000 1.064 307 S HN -0.744 7.520 8.310 -0.077 0.000 0.525 308 S N 0.443 116.105 115.700 -0.063 0.000 2.738 308 S HA 0.441 nan 4.470 nan 0.000 0.284 308 S C 1.170 175.777 174.600 0.012 0.000 1.146 308 S CA -0.975 57.221 58.200 -0.006 0.000 0.997 308 S CB 2.201 65.420 63.200 0.033 0.000 1.081 308 S HN 0.626 8.775 8.310 -0.070 0.118 0.553 309 D N 1.613 122.038 120.400 0.041 0.000 2.219 309 D HA -0.140 nan 4.640 nan 0.000 0.205 309 D C 0.472 176.799 176.300 0.046 0.000 0.970 309 D CA 2.530 56.551 54.000 0.035 0.000 0.851 309 D CB -0.345 40.476 40.800 0.034 0.000 0.943 309 D HN 0.304 8.711 8.370 0.060 0.000 0.488 310 E N -2.695 117.543 120.200 0.064 0.000 2.338 310 E HA -0.117 nan 4.350 nan 0.000 0.197 310 E C -0.095 176.537 176.600 0.053 0.000 1.007 310 E CA 0.645 57.088 56.400 0.071 0.000 0.849 310 E CB 0.150 29.905 29.700 0.091 0.000 0.774 310 E HN -0.645 7.705 8.360 0.072 0.053 0.506 311 S N -1.328 114.393 115.700 0.036 0.000 2.593 311 S HA -0.247 nan 4.470 nan 0.000 0.300 311 S C 0.691 175.333 174.600 0.071 0.000 1.267 311 S CA 0.123 58.343 58.200 0.033 0.000 1.065 311 S CB 0.523 63.739 63.200 0.027 0.000 0.807 311 S HN -0.728 7.430 8.310 0.027 0.168 0.499 312 K N 3.993 124.443 120.400 0.083 0.000 2.148 312 K HA -0.244 nan 4.320 nan 0.000 0.204 312 K C -0.269 176.442 176.600 0.185 0.000 1.050 312 K CA 2.072 58.432 56.287 0.121 0.000 0.942 312 K CB 0.438 33.009 32.500 0.117 0.000 0.724 312 K HN -0.071 8.344 8.250 0.043 -0.140 0.446 313 N N -2.775 116.099 118.700 0.289 0.000 2.581 313 N HA 0.198 nan 4.740 nan 0.000 0.279 313 N C 0.407 176.078 175.510 0.268 0.000 1.124 313 N CA -0.910 52.318 53.050 0.298 0.000 0.833 313 N CB 1.443 40.148 38.487 0.363 0.000 1.338 313 N HN -0.763 7.801 8.380 0.314 0.005 0.533 314 V N 1.174 121.169 119.914 0.135 0.000 2.379 314 V HA -0.154 nan 4.120 nan 0.000 0.245 314 V C 1.203 177.323 176.094 0.044 0.000 1.044 314 V CA 2.861 65.199 62.300 0.063 0.000 1.036 314 V CB -0.601 31.241 31.823 0.032 0.000 0.664 314 V HN 0.576 8.836 8.190 0.117 0.000 0.453 315 E N 1.847 122.097 120.200 0.084 0.000 2.038 315 E HA -0.479 nan 4.350 nan 0.000 0.195 315 E C 1.772 178.455 176.600 0.138 0.000 1.000 315 E CA 2.661 59.124 56.400 0.104 0.000 0.803 315 E CB -0.702 29.059 29.700 0.102 0.000 0.750 315 E HN -0.237 8.233 8.360 0.095 -0.053 0.448 316 Y N -0.094 120.185 120.300 -0.035 0.000 2.153 316 Y HA -0.373 nan 4.550 nan 0.000 0.289 316 Y C 1.586 177.419 175.900 -0.112 0.000 1.127 316 Y CA 2.664 60.691 58.100 -0.122 0.000 1.131 316 Y CB 0.837 39.103 38.460 -0.324 0.000 0.995 316 Y HN -0.179 8.579 8.280 0.174 -0.374 0.505 317 Y N -4.206 115.989 120.300 -0.175 0.000 2.420 317 Y HA -0.220 nan 4.550 nan 0.000 0.292 317 Y C 0.496 176.057 175.900 -0.565 0.000 1.119 317 Y CA 2.577 60.481 58.100 -0.326 0.000 1.229 317 Y CB 0.617 38.972 38.460 -0.175 0.000 1.026 317 Y HN -0.762 7.501 8.280 -0.029 0.000 0.554 318 G N -1.985 106.499 108.800 -0.526 0.000 2.568 318 G HA2 -0.297 nan 3.960 nan 0.000 0.222 318 G HA3 -0.297 nan 3.960 nan 0.000 0.222 318 G C -2.746 171.717 174.900 -0.728 0.000 1.321 318 G CA -0.358 44.029 45.100 -1.189 0.000 0.893 318 G HN -0.229 7.823 8.290 -0.218 0.107 0.569 319 S N -1.221 114.019 115.700 -0.766 0.000 2.389 319 S HA 0.315 nan 4.470 nan 0.000 0.201 319 S C -0.210 174.432 174.600 0.070 0.000 1.422 319 S CA -0.986 57.074 58.200 -0.234 0.000 1.216 319 S CB 0.938 64.000 63.200 -0.229 0.000 1.130 319 S HN -0.119 7.357 8.310 -1.389 0.000 0.465 320 L N 6.245 127.600 121.223 0.220 0.000 1.994 320 L HA -0.256 nan 4.340 nan 0.000 0.208 320 L C 0.493 177.733 176.870 0.616 0.000 1.071 320 L CA 3.101 58.284 54.840 0.572 0.000 0.745 320 L CB -0.050 42.363 42.059 0.590 0.000 0.892 320 L HN 0.241 8.533 8.230 0.103 0.000 0.431 321 H N -0.366 118.972 119.070 0.446 0.000 2.293 321 H HA -0.403 nan 4.556 nan 0.000 0.300 321 H C 2.219 177.710 175.328 0.273 0.000 1.082 321 H CA 4.398 60.771 56.048 0.541 0.000 1.308 321 H CB 0.078 30.095 29.762 0.424 0.000 1.375 321 H HN -0.242 8.327 8.280 0.482 0.000 0.495 322 N N -0.851 117.993 118.700 0.239 0.000 2.120 322 N HA -0.335 nan 4.740 nan 0.000 0.188 322 N C 2.317 177.738 175.510 -0.149 0.000 1.024 322 N CA 3.009 56.080 53.050 0.035 0.000 0.852 322 N CB -0.524 37.927 38.487 -0.060 0.000 1.003 322 N HN -0.238 8.320 8.380 0.297 0.000 0.424 323 W N -0.773 120.534 121.300 0.011 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.845 178.248 176.519 -0.194 0.000 1.218 323 W CA 2.869 60.217 57.345 0.004 0.000 1.245 323 W CB -0.203 29.366 29.460 0.183 0.000 1.126 323 W HN -0.179 8.051 8.180 0.084 0.000 0.545 324 G N -2.008 106.615 108.800 -0.295 0.000 2.418 324 G HA2 -0.430 nan 3.960 nan 0.000 0.217 324 G HA3 -0.430 nan 3.960 nan 0.000 0.217 324 G C 0.999 175.346 174.900 -0.921 0.000 1.158 324 G CA 2.228 46.691 45.100 -1.063 0.000 0.771 324 G HN 0.182 8.300 8.290 -0.139 0.089 0.545 325 H N 2.301 120.879 119.070 -0.819 0.000 2.353 325 H HA -0.212 nan 4.556 nan 0.000 0.300 325 H C 2.554 177.698 175.328 -0.305 0.000 1.090 325 H CA 3.977 59.638 56.048 -0.644 0.000 1.327 325 H CB 0.131 29.344 29.762 -0.915 0.000 1.383 325 H HN -0.624 7.196 8.280 -0.563 0.121 0.508 326 V N 0.134 120.035 119.914 -0.022 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.267 176.094 0.094 0.000 1.049 326 V CA 4.698 67.068 62.300 0.117 0.000 1.024 326 V CB -0.746 31.251 31.823 0.289 0.000 0.648 326 V HN -0.311 7.745 8.190 -0.047 0.105 0.447 327 M N -2.283 117.351 119.600 0.056 0.000 2.117 327 M HA -0.351 nan 4.480 nan 0.000 0.262 327 M C 1.948 178.211 176.300 -0.061 0.000 1.065 327 M CA 3.618 58.934 55.300 0.026 0.000 1.114 327 M CB -0.052 32.552 32.600 0.008 0.000 1.361 327 M HN 0.042 8.252 8.290 0.042 0.106 0.408 328 M N -1.970 117.513 119.600 -0.195 0.000 2.175 328 M HA -0.199 nan 4.480 nan 0.000 0.264 328 M C 2.695 178.940 176.300 -0.092 0.000 1.063 328 M CA 2.718 57.889 55.300 -0.214 0.000 1.119 328 M CB 0.346 32.721 32.600 -0.375 0.000 1.377 328 M HN -0.371 7.747 8.290 -0.287 0.000 0.415 329 A N -1.215 121.577 122.820 -0.047 0.000 1.933 329 A HA -0.240 nan 4.320 nan 0.000 0.218 329 A C 0.672 178.289 177.584 0.055 0.000 1.175 329 A CA 2.877 54.934 52.037 0.032 0.000 0.628 329 A CB -0.291 18.757 19.000 0.080 0.000 0.814 329 A HN 0.238 8.255 8.150 -0.071 0.090 0.444 330 N N -4.199 114.533 118.700 0.054 0.000 2.538 330 N HA 0.063 nan 4.740 nan 0.000 0.291 330 N C 0.136 175.664 175.510 0.030 0.000 1.323 330 N CA -1.733 51.356 53.050 0.066 0.000 0.934 330 N CB -0.830 37.722 38.487 0.109 0.000 1.255 330 N HN -0.451 7.959 8.380 0.050 0.000 0.509 331 I N 0.916 121.484 120.570 -0.004 0.000 2.286 331 I HA -0.323 nan 4.170 nan 0.000 0.248 331 I C 0.499 176.514 176.117 -0.170 0.000 1.115 331 I CA 2.512 63.784 61.300 -0.046 0.000 1.392 331 I CB 0.130 38.107 38.000 -0.039 0.000 1.065 331 I HN -0.738 7.388 8.210 0.003 0.085 0.418 332 T N -1.067 113.399 114.554 -0.146 0.000 2.788 332 T HA -0.239 nan 4.350 nan 0.000 0.268 332 T C -0.319 174.268 174.700 -0.187 0.000 1.044 332 T CA 2.539 64.510 62.100 -0.215 0.000 1.139 332 T CB -0.150 68.657 68.868 -0.102 0.000 0.867 332 T HN 0.136 8.311 8.240 -0.056 0.032 0.454 333 D N -1.145 119.225 120.400 -0.050 0.000 2.621 333 D HA 0.460 nan 4.640 nan 0.000 0.274 333 D C -0.794 175.556 176.300 0.083 0.000 1.215 333 D CA -3.031 51.010 54.000 0.068 0.000 0.810 333 D CB 0.511 41.403 40.800 0.153 0.000 1.248 333 D HN -0.844 7.424 8.370 -0.015 0.093 0.517 334 P HA -0.258 nan 4.420 nan 0.000 0.216 334 P C 0.644 177.984 177.300 0.067 0.000 1.150 334 P CA 1.960 65.084 63.100 0.041 0.000 0.837 334 P CB 0.346 32.043 31.700 -0.004 0.000 0.786 335 D N -3.247 117.183 120.400 0.050 0.000 2.183 335 D HA -0.244 nan 4.640 nan 0.000 0.203 335 D C 0.245 176.631 176.300 0.142 0.000 0.969 335 D CA 0.740 54.772 54.000 0.052 0.000 0.842 335 D CB 0.291 41.087 40.800 -0.008 0.000 0.957 335 D HN -0.258 8.107 8.370 0.030 0.023 0.484 336 H N -4.152 114.943 119.070 0.043 0.000 2.992 336 H HA -0.298 nan 4.556 nan 0.000 0.266 336 H C -0.563 174.769 175.328 0.007 0.000 1.200 336 H CA 0.758 56.836 56.048 0.051 0.000 1.135 336 H CB -1.051 28.731 29.762 0.034 0.000 1.282 336 H HN -0.352 8.085 8.280 0.170 -0.055 0.351 337 R N -3.198 117.265 120.500 -0.063 0.000 2.092 337 R HA -0.177 nan 4.340 nan 0.000 0.231 337 R C 0.995 177.101 176.300 -0.324 0.000 1.119 337 R CA 1.972 57.942 56.100 -0.217 0.000 0.970 337 R CB -0.081 30.012 30.300 -0.346 0.000 0.864 337 R HN -0.264 8.086 8.270 -0.023 -0.094 0.440 338 F N -0.128 119.738 119.950 -0.140 0.000 2.234 338 F HA -0.192 nan 4.527 nan 0.000 0.299 338 F C 0.226 175.898 175.800 -0.213 0.000 1.087 338 F CA 1.895 59.811 58.000 -0.141 0.000 1.340 338 F CB 0.325 39.257 39.000 -0.113 0.000 1.031 338 F HN -0.424 8.211 8.300 -0.069 -0.376 0.500 339 Q N -5.363 114.266 119.800 -0.284 0.000 2.470 339 Q HA -0.424 nan 4.340 nan 0.000 0.294 339 Q C -1.218 174.666 176.000 -0.194 0.000 1.356 339 Q CA 0.890 56.428 55.803 -0.442 0.000 0.805 339 Q CB -2.248 26.375 28.738 -0.193 0.000 1.157 339 Q HN -0.415 7.687 8.270 -0.387 -0.064 0.431 340 E N -2.013 118.104 120.200 -0.139 0.000 2.222 340 E HA 0.218 nan 4.350 nan 0.000 0.272 340 E C -1.341 175.256 176.600 -0.005 0.000 0.982 340 E CA -1.609 54.769 56.400 -0.037 0.000 0.842 340 E CB 1.897 31.585 29.700 -0.021 0.000 1.144 340 E HN -0.600 7.649 8.360 -0.186 0.000 0.397 341 N N 1.684 120.389 118.700 0.008 0.000 2.467 341 N HA 0.228 nan 4.740 nan 0.000 0.262 341 N C -1.270 174.279 175.510 0.065 0.000 1.234 341 N CA -1.405 51.661 53.050 0.027 0.000 0.952 341 N CB -0.314 38.143 38.487 -0.051 0.000 1.158 341 N HN 0.215 8.589 8.380 -0.008 0.000 0.463 342 P HA 0.029 nan 4.420 nan 0.000 0.274 342 P C -0.759 176.682 177.300 0.234 0.000 1.256 342 P CA -0.425 62.762 63.100 0.145 0.000 0.795 342 P CB 0.877 32.661 31.700 0.139 0.000 1.038 343 G N -1.244 107.685 108.800 0.215 0.000 2.535 343 G HA2 0.204 nan 3.960 nan 0.000 0.282 343 G HA3 0.204 nan 3.960 nan 0.000 0.282 343 G C 0.543 175.582 174.900 0.233 0.000 1.350 343 G CA -1.610 43.634 45.100 0.240 0.000 1.039 343 G HN -0.266 8.007 8.290 0.151 0.107 0.509 344 V N -5.596 114.329 119.914 0.018 0.000 2.720 344 V HA -0.328 nan 4.120 nan 0.000 0.256 344 V C 1.858 177.950 176.094 -0.003 0.000 1.082 344 V CA 2.825 64.992 62.300 -0.221 0.000 1.101 344 V CB -0.414 31.282 31.823 -0.212 0.000 0.693 344 V HN 0.550 8.778 8.190 0.063 0.000 0.479 345 M N 0.528 120.179 119.600 0.084 0.000 2.279 345 M HA -0.305 nan 4.480 nan 0.000 0.264 345 M C 1.599 178.068 176.300 0.281 0.000 1.062 345 M CA 2.236 57.633 55.300 0.161 0.000 1.099 345 M CB -0.935 31.683 32.600 0.030 0.000 1.394 345 M HN -0.263 8.015 8.290 0.074 0.056 0.426 346 S N -0.622 115.227 115.700 0.249 0.000 2.447 346 S HA -0.283 nan 4.470 nan 0.000 0.233 346 S C -0.748 174.068 174.600 0.361 0.000 1.006 346 S CA 3.442 61.821 58.200 0.297 0.000 0.957 346 S CB 0.163 63.490 63.200 0.211 0.000 0.773 346 S HN -0.560 7.829 8.310 0.198 0.041 0.507 347 D N -2.576 118.021 120.400 0.329 0.000 2.350 347 D HA 0.341 nan 4.640 nan 0.000 0.245 347 D C -0.387 176.134 176.300 0.369 0.000 1.036 347 D CA -1.130 53.050 54.000 0.299 0.000 0.848 347 D CB 2.943 43.900 40.800 0.262 0.000 1.307 347 D HN -0.653 7.734 8.370 0.262 0.140 0.469 348 T N 4.066 118.813 114.554 0.321 0.000 2.915 348 T HA -0.079 nan 4.350 nan 0.000 0.269 348 T C 2.204 177.239 174.700 0.558 0.000 1.071 348 T CA 3.705 66.072 62.100 0.446 0.000 1.132 348 T CB -0.236 68.640 68.868 0.012 0.000 0.878 348 T HN 0.345 8.721 8.240 0.227 0.000 0.479 349 S N 1.485 117.458 115.700 0.454 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.973 175.549 174.600 -0.040 0.000 1.029 349 S CA 3.609 61.934 58.200 0.210 0.000 0.978 349 S CB 0.023 63.225 63.200 0.004 0.000 0.833 349 S HN -0.253 8.635 8.310 0.514 -0.270 0.466 350 T N -5.162 109.353 114.554 -0.065 0.000 3.035 350 T HA 0.229 nan 4.350 nan 0.000 0.259 350 T C 2.390 177.004 174.700 -0.143 0.000 1.078 350 T CA 1.329 63.308 62.100 -0.201 0.000 1.132 350 T CB -0.072 68.562 68.868 -0.390 0.000 0.900 350 T HN -0.144 8.111 8.240 0.025 0.000 0.480 351 S N 4.309 120.006 115.700 -0.005 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.077 176.530 174.600 -0.244 0.000 1.025 351 S CA 3.598 61.821 58.200 0.039 0.000 0.993 351 S CB -1.143 62.288 63.200 0.386 0.000 0.808 351 S HN 0.160 8.544 8.310 0.123 0.000 0.478 352 L N 1.690 122.599 121.223 -0.523 0.000 2.201 352 L HA -0.224 nan 4.340 nan 0.000 0.212 352 L C 1.687 178.306 176.870 -0.419 0.000 1.105 352 L CA 2.154 56.511 54.840 -0.806 0.000 0.775 352 L CB -0.763 40.906 42.059 -0.650 0.000 0.913 352 L HN -0.326 7.642 8.230 -0.383 0.032 0.440 353 R N -2.839 117.485 120.500 -0.293 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.024 176.047 176.300 -0.462 0.000 1.119 353 R CA 2.169 58.120 56.100 -0.249 0.000 0.970 353 R CB -0.333 29.883 30.300 -0.139 0.000 0.864 353 R HN -0.117 7.950 8.270 -0.273 0.039 0.440 354 D N 0.717 120.834 120.400 -0.471 0.000 2.351 354 D HA 0.267 nan 4.640 nan 0.000 0.251 354 D C -0.780 175.348 176.300 -0.287 0.000 1.137 354 D CA -2.631 51.012 54.000 -0.596 0.000 0.879 354 D CB 0.796 41.443 40.800 -0.255 0.000 1.181 354 D HN -0.762 7.390 8.370 -0.315 0.029 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.740 178.093 177.300 0.088 0.000 1.151 355 P CA 1.545 64.672 63.100 0.043 0.000 0.787 355 P CB 0.029 31.763 31.700 0.056 0.000 0.788 356 I N -5.137 115.425 120.570 -0.013 0.000 2.454 356 I HA -0.410 nan 4.170 nan 0.000 0.254 356 I C 1.008 177.092 176.117 -0.054 0.000 1.156 356 I CA 2.929 64.200 61.300 -0.049 0.000 1.433 356 I CB -0.550 37.369 38.000 -0.135 0.000 1.082 356 I HN -0.577 7.854 8.210 -0.060 -0.257 0.432 357 F N 1.999 121.788 119.950 -0.269 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.136 176.785 175.800 -0.252 0.000 1.103 357 F CA 4.547 62.353 58.000 -0.323 0.000 1.228 357 F CB -0.040 38.567 39.000 -0.655 0.000 0.984 357 F HN -0.509 7.636 8.300 -0.014 0.147 0.477 358 Y N -3.193 117.212 120.300 0.174 0.000 2.200 358 Y HA -0.426 nan 4.550 nan 0.000 0.290 358 Y C 2.091 178.020 175.900 0.049 0.000 1.137 358 Y CA 4.025 62.150 58.100 0.041 0.000 1.163 358 Y CB -0.675 37.585 38.460 -0.334 0.000 0.988 358 Y HN -0.762 7.434 8.280 -0.110 0.018 0.518 359 R N -0.403 120.199 120.500 0.170 0.000 2.073 359 R HA -0.416 nan 4.340 nan 0.000 0.234 359 R C 2.299 178.686 176.300 0.145 0.000 1.134 359 R CA 3.517 59.714 56.100 0.162 0.000 0.952 359 R CB -0.163 30.224 30.300 0.145 0.000 0.850 359 R HN -0.626 7.651 8.270 0.151 0.084 0.433 360 W N 0.028 121.240 121.300 -0.146 0.000 2.381 360 W HA -0.327 nan 4.660 nan 0.000 0.301 360 W C 1.678 178.103 176.519 -0.156 0.000 1.205 360 W CA 3.725 60.926 57.345 -0.238 0.000 1.285 360 W CB 0.067 29.177 29.460 -0.584 0.000 1.133 360 W HN 0.081 8.305 8.180 0.073 0.000 0.521 361 H N -0.953 117.977 119.070 -0.233 0.000 2.423 361 H HA -0.283 nan 4.556 nan 0.000 0.297 361 H C 2.871 178.138 175.328 -0.101 0.000 1.075 361 H CA 5.087 61.007 56.048 -0.213 0.000 1.342 361 H CB -0.092 29.522 29.762 -0.245 0.000 1.395 361 H HN -0.112 8.170 8.280 0.003 0.000 0.530 362 R N -0.705 119.838 120.500 0.072 0.000 2.092 362 R HA -0.289 nan 4.340 nan 0.000 0.231 362 R C 2.053 178.359 176.300 0.011 0.000 1.119 362 R CA 2.486 58.629 56.100 0.073 0.000 0.970 362 R CB -0.848 29.518 30.300 0.110 0.000 0.864 362 R HN 0.330 8.561 8.270 0.111 0.105 0.440 363 F N 1.502 121.329 119.950 -0.205 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.675 177.293 175.800 -0.303 0.000 1.105 363 F CA 3.531 61.361 58.000 -0.283 0.000 1.239 363 F CB 0.100 38.782 39.000 -0.530 0.000 0.991 363 F HN -0.600 7.641 8.300 0.041 0.084 0.474 364 I N -4.983 115.346 120.570 -0.401 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.496 177.671 176.117 0.096 0.000 1.117 364 I CA 3.345 64.506 61.300 -0.232 0.000 1.404 364 I CB -0.632 37.363 38.000 -0.008 0.000 1.071 364 I HN -0.113 7.803 8.210 -0.490 0.000 0.419 365 D N 0.400 120.909 120.400 0.182 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.173 178.642 176.300 0.282 0.000 0.990 365 D CA 3.200 57.434 54.000 0.391 0.000 0.839 365 D CB -0.326 40.578 40.800 0.173 0.000 0.948 365 D HN 0.161 8.349 8.370 0.044 0.208 0.460 366 N N -0.985 117.710 118.700 -0.008 0.000 2.149 366 N HA -0.269 nan 4.740 nan 0.000 0.188 366 N C 2.412 177.838 175.510 -0.140 0.000 1.019 366 N CA 3.070 56.066 53.050 -0.090 0.000 0.857 366 N CB -0.156 38.198 38.487 -0.222 0.000 0.997 366 N HN -0.110 8.102 8.380 -0.093 0.112 0.426 367 I N -0.266 120.125 120.570 -0.299 0.000 2.226 367 I HA -0.522 nan 4.170 nan 0.000 0.245 367 I C 1.639 177.555 176.117 -0.336 0.000 1.100 367 I CA 3.705 64.767 61.300 -0.396 0.000 1.374 367 I CB -0.167 37.476 38.000 -0.595 0.000 1.057 367 I HN -0.434 7.423 8.210 -0.336 0.152 0.413 368 F N -1.711 118.200 119.950 -0.065 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.323 178.070 175.800 -0.087 0.000 1.090 368 F CA 4.052 61.962 58.000 -0.150 0.000 1.293 368 F CB -0.776 38.025 39.000 -0.330 0.000 1.013 368 F HN -0.833 7.336 8.300 -0.089 0.077 0.486 369 Q N -1.897 118.002 119.800 0.166 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.755 178.791 176.000 0.060 0.000 0.977 369 Q CA 3.025 58.899 55.803 0.118 0.000 0.850 369 Q CB -0.880 27.918 28.738 0.101 0.000 0.901 369 Q HN 0.178 8.475 8.270 0.211 0.099 0.429 370 E N -0.598 119.608 120.200 0.011 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.370 178.974 176.600 0.007 0.000 0.988 370 E CA 2.819 59.210 56.400 -0.015 0.000 0.804 370 E CB -0.230 29.437 29.700 -0.056 0.000 0.745 370 E HN -0.144 8.120 8.360 -0.019 0.085 0.458 371 H N 0.510 119.551 119.070 -0.048 0.000 2.353 371 H HA -0.255 nan 4.556 nan 0.000 0.300 371 H C 2.360 177.815 175.328 0.212 0.000 1.090 371 H CA 3.707 59.767 56.048 0.019 0.000 1.327 371 H CB 0.150 29.921 29.762 0.016 0.000 1.383 371 H HN -0.706 7.560 8.280 0.096 0.071 0.508 372 K N -1.839 118.676 120.400 0.192 0.000 2.147 372 K HA -0.297 nan 4.320 nan 0.000 0.205 372 K C 2.970 179.670 176.600 0.166 0.000 1.049 372 K CA 2.354 58.742 56.287 0.169 0.000 0.936 372 K CB -0.734 31.814 32.500 0.081 0.000 0.722 372 K HN -0.098 8.167 8.250 0.172 0.088 0.446 373 K N -0.506 119.928 120.400 0.056 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.591 178.144 176.600 -0.078 0.000 1.049 373 K CA 2.696 58.978 56.287 -0.009 0.000 0.933 373 K CB -0.317 32.164 32.500 -0.031 0.000 0.717 373 K HN 0.074 8.226 8.250 0.049 0.128 0.442 374 S N -1.471 114.133 115.700 -0.160 0.000 2.447 374 S HA -0.192 nan 4.470 nan 0.000 0.233 374 S C 0.488 174.817 174.600 -0.451 0.000 1.006 374 S CA 2.297 60.295 58.200 -0.336 0.000 0.957 374 S CB 0.613 63.465 63.200 -0.580 0.000 0.773 374 S HN -0.492 7.611 8.310 -0.138 0.123 0.507 375 F N 2.053 121.865 119.950 -0.230 0.000 2.382 375 F HA 0.005 nan 4.527 nan 0.000 0.331 375 F C -0.061 175.609 175.800 -0.216 0.000 1.121 375 F CA 0.973 58.870 58.000 -0.171 0.000 1.183 375 F CB 0.973 39.891 39.000 -0.137 0.000 1.207 375 F HN -0.647 7.567 8.300 0.156 0.179 0.555 376 H N 1.678 120.778 119.070 0.051 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.619 173.645 175.328 -0.106 0.000 1.181 376 H CA -0.610 55.425 56.048 -0.021 0.000 1.402 376 H CB 0.289 30.041 29.762 -0.017 0.000 1.474 376 H HN 0.065 8.513 8.280 0.281 0.000 0.596 377 P HA 0.062 nan 4.420 nan 0.000 0.277 377 P C -1.433 175.799 177.300 -0.112 0.000 1.276 377 P CA -0.255 62.798 63.100 -0.078 0.000 0.788 377 P CB 0.646 32.374 31.700 0.046 0.000 1.114 378 Y N -0.773 119.629 120.300 0.170 0.000 2.320 378 Y HA 0.099 nan 4.550 nan 0.000 0.334 378 Y C 0.433 176.401 175.900 0.112 0.000 1.055 378 Y CA 0.251 58.450 58.100 0.166 0.000 1.143 378 Y CB 0.958 39.548 38.460 0.217 0.000 1.193 378 Y HN 0.235 8.618 8.280 0.172 0.000 0.477 379 T N 4.874 119.576 114.554 0.247 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.550 175.305 174.700 0.092 0.000 0.993 379 T CA -0.746 61.430 62.100 0.126 0.000 0.994 379 T CB 1.321 70.245 68.868 0.094 0.000 1.025 379 T HN 0.250 8.658 8.240 0.279 0.000 0.529 380 K N 1.188 121.600 120.400 0.021 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.279 178.891 176.600 0.019 0.000 1.049 380 K CA 3.149 59.424 56.287 -0.019 0.000 0.936 380 K CB 0.007 32.486 32.500 -0.036 0.000 0.722 380 K HN 0.305 8.563 8.250 0.013 0.000 0.446 381 E N -1.580 118.644 120.200 0.040 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.129 177.773 176.600 0.073 0.000 0.997 381 E CA 2.848 59.275 56.400 0.045 0.000 0.801 381 E CB -0.627 29.101 29.700 0.046 0.000 0.746 381 E HN 0.090 8.461 8.360 0.038 0.012 0.450 382 E N -2.114 118.156 120.200 0.117 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.742 178.425 176.600 0.138 0.000 0.985 382 E CA 2.189 58.673 56.400 0.139 0.000 0.801 382 E CB -0.155 29.704 29.700 0.266 0.000 0.750 382 E HN -0.621 7.729 8.360 0.135 0.091 0.452 383 L N -3.125 118.184 121.223 0.143 0.000 2.044 383 L HA -0.232 nan 4.340 nan 0.000 0.205 383 L C 0.819 177.764 176.870 0.125 0.000 1.075 383 L CA 2.015 56.941 54.840 0.145 0.000 0.747 383 L CB 0.362 42.422 42.059 0.003 0.000 0.903 383 L HN -0.673 7.632 8.230 0.124 0.000 0.435 384 S N -3.152 112.594 115.700 0.076 0.000 2.572 384 S HA -0.079 nan 4.470 nan 0.000 0.279 384 S C -1.063 173.628 174.600 0.153 0.000 1.341 384 S CA 1.673 59.920 58.200 0.079 0.000 1.043 384 S CB 0.741 63.952 63.200 0.018 0.000 0.887 384 S HN -0.276 7.969 8.310 0.059 0.100 0.516 385 F N 6.030 125.983 119.950 0.005 0.000 2.434 385 F HA 0.357 nan 4.527 nan 0.000 0.355 385 F C -2.713 173.087 175.800 0.000 0.000 1.115 385 F CA -3.471 54.534 58.000 0.008 0.000 1.010 385 F CB 2.791 41.798 39.000 0.012 0.000 1.234 385 F HN -0.376 8.238 8.300 0.213 -0.186 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.589 176.467 177.300 -0.408 0.000 1.228 386 P CA -0.048 62.849 63.100 -0.339 0.000 0.786 386 P CB 0.470 32.022 31.700 -0.246 0.000 0.927 387 G N 0.532 109.220 108.800 -0.187 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.202 173.677 174.900 -0.036 0.000 0.998 387 G CA 0.548 45.575 45.100 -0.121 0.000 0.621 387 G HN 0.090 8.304 8.290 -0.128 0.000 0.524 388 V N 1.492 121.416 119.914 0.017 0.000 2.435 388 V HA 0.402 nan 4.120 nan 0.000 0.290 388 V C -1.421 174.722 176.094 0.081 0.000 1.030 388 V CA -0.771 61.612 62.300 0.138 0.000 0.881 388 V CB 0.669 32.721 31.823 0.381 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.040 0.086 0.445 389 E N 6.963 127.191 120.200 0.046 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.586 175.018 176.600 0.006 0.000 0.877 389 E CA -1.640 54.771 56.400 0.020 0.000 0.755 389 E CB 4.740 34.444 29.700 0.007 0.000 1.192 389 E HN 0.336 8.723 8.360 0.045 0.000 0.422 390 V N 6.753 126.660 119.914 -0.011 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.101 175.979 176.094 -0.023 0.000 1.037 390 V CA -0.011 62.270 62.300 -0.030 0.000 0.872 390 V CB -0.598 31.187 31.823 -0.064 0.000 1.002 390 V HN 0.306 8.489 8.190 -0.011 0.000 0.464 391 V N 8.083 127.988 119.914 -0.016 0.000 2.323 391 V HA -0.016 nan 4.120 nan 0.000 0.244 391 V C 0.191 176.280 176.094 -0.007 0.000 1.041 391 V CA 1.787 64.082 62.300 -0.008 0.000 1.025 391 V CB 0.470 32.290 31.823 -0.004 0.000 0.656 391 V HN 0.667 8.847 8.190 -0.017 0.000 0.451 392 G N -4.546 104.248 108.800 -0.011 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.655 174.900 -0.001 0.000 1.487 392 G CA 0.631 45.730 45.100 -0.002 0.000 0.795 392 G HN -0.821 7.459 8.290 -0.017 0.000 0.513 393 V N -0.919 119.004 119.914 0.014 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.449 174.682 176.094 0.061 0.000 1.104 393 V CA -1.577 60.745 62.300 0.036 0.000 0.954 393 V CB 3.504 35.345 31.823 0.030 0.000 1.022 393 V HN 0.280 8.481 8.190 0.019 0.000 0.427 394 S N 2.481 118.234 115.700 0.089 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.884 172.784 174.600 0.112 0.000 1.121 394 S CA -1.083 57.164 58.200 0.080 0.000 0.887 394 S CB 3.506 66.736 63.200 0.050 0.000 1.094 394 S HN 0.306 8.678 8.310 0.104 0.000 0.474 395 I N -1.597 119.016 120.570 0.072 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.323 176.117 -0.002 0.000 0.992 395 I CA -2.108 59.206 61.300 0.023 0.000 1.149 395 I CB 1.285 39.243 38.000 -0.068 0.000 1.315 395 I HN 0.356 8.891 8.210 0.052 -0.294 0.446 396 N N 8.137 126.842 118.700 0.008 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.079 175.510 0.047 0.000 1.024 396 N CA 0.196 53.258 53.050 0.021 0.000 0.894 396 N CB 2.239 40.738 38.487 0.021 0.000 1.173 396 N HN 0.575 8.846 8.380 0.000 0.109 0.487 397 S N 2.746 118.466 115.700 0.033 0.000 2.929 397 S HA 0.197 nan 4.470 nan 0.000 0.311 397 S C -0.711 173.900 174.600 0.019 0.000 1.213 397 S CA -0.409 57.820 58.200 0.047 0.000 0.908 397 S CB 2.270 65.493 63.200 0.039 0.000 1.287 397 S HN 0.024 8.344 8.310 0.016 0.000 0.594 398 K N 1.995 122.400 120.400 0.009 0.000 2.032 398 K HA -0.148 nan 4.320 nan 0.000 0.209 398 K C 0.005 176.600 176.600 -0.008 0.000 1.048 398 K CA 1.833 58.117 56.287 -0.006 0.000 0.927 398 K CB 0.281 32.769 32.500 -0.021 0.000 0.712 398 K HN 0.061 8.660 8.250 0.015 -0.340 0.441 399 T N 0.430 114.978 114.554 -0.010 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.535 173.160 174.700 -0.008 0.000 0.993 399 T CA -0.675 61.419 62.100 -0.010 0.000 0.970 399 T CB 1.975 70.835 68.868 -0.014 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.011 -0.005 0.441 400 A N 3.995 126.814 122.820 -0.002 0.000 2.462 400 A HA -0.082 nan 4.320 nan 0.000 0.243 400 A C 0.156 177.738 177.584 -0.004 0.000 1.076 400 A CA 0.772 52.808 52.037 -0.000 0.000 0.773 400 A CB 0.036 19.040 19.000 0.007 0.000 1.010 400 A HN 0.317 8.467 8.150 -0.001 0.000 0.493 401 N N -2.419 116.273 118.700 -0.012 0.000 2.800 401 N HA -0.424 nan 4.740 nan 0.000 0.250 401 N C -1.542 173.955 175.510 -0.023 0.000 1.078 401 N CA 1.188 54.230 53.050 -0.012 0.000 0.804 401 N CB -1.515 36.980 38.487 0.014 0.000 1.135 401 N HN 0.267 8.532 8.380 -0.016 0.105 0.565 402 V N -8.415 111.476 119.914 -0.038 0.000 2.709 402 V HA 0.787 nan 4.120 nan 0.000 0.308 402 V C -2.171 173.882 176.094 -0.068 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.038 0.000 0.901 402 V CB 3.088 34.899 31.823 -0.021 0.000 1.003 402 V HN -0.602 7.512 8.190 -0.036 0.054 0.425 403 I N 4.149 124.667 120.570 -0.087 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.914 174.186 176.117 -0.028 0.000 1.005 403 I CA -1.827 59.415 61.300 -0.096 0.000 1.113 403 I CB 3.733 41.598 38.000 -0.226 0.000 1.289 403 I HN 0.710 8.879 8.210 -0.068 0.000 0.436 404 T N 9.155 123.714 114.554 0.009 0.000 2.859 404 T HA 0.545 nan 4.350 nan 0.000 0.281 404 T C -1.942 172.789 174.700 0.053 0.000 1.005 404 T CA -0.812 61.289 62.100 0.001 0.000 1.025 404 T CB 1.869 70.709 68.868 -0.048 0.000 0.977 404 T HN 0.218 8.483 8.240 0.041 0.000 0.458 405 T N 5.884 120.469 114.554 0.052 0.000 2.876 405 T HA 0.964 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.278 174.700 -0.086 0.000 1.014 405 T CA -1.693 60.493 62.100 0.143 0.000 0.986 405 T CB 1.319 70.378 68.868 0.320 0.000 1.021 405 T HN 0.241 8.491 8.240 0.016 0.000 0.458 406 L N 3.955 125.170 121.223 -0.014 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.920 175.039 176.870 0.148 0.000 1.091 406 L CA -1.053 53.670 54.840 -0.195 0.000 0.888 406 L CB 4.283 46.250 42.059 -0.152 0.000 1.507 406 L HN 1.001 9.195 8.230 0.128 0.112 0.407 407 I N -0.838 119.811 120.570 0.133 0.000 2.392 407 I HA 0.505 nan 4.170 nan 0.000 0.295 407 I C -1.934 174.180 176.117 -0.006 0.000 0.985 407 I CA -2.503 58.875 61.300 0.130 0.000 1.221 407 I CB 1.602 39.717 38.000 0.191 0.000 1.366 407 I HN 0.203 8.437 8.210 0.040 0.000 0.467 408 K N 8.038 128.319 120.400 -0.197 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.740 174.660 176.600 -0.333 0.000 0.934 408 K CA -2.141 53.982 56.287 -0.273 0.000 0.798 408 K CB 3.413 35.683 32.500 -0.384 0.000 1.204 408 K HN 0.869 8.815 8.250 -0.331 0.105 0.427 409 E N 3.168 123.238 120.200 -0.217 0.000 2.313 409 E HA 0.450 nan 4.350 nan 0.000 0.272 409 E C -1.197 175.152 176.600 -0.419 0.000 1.038 409 E CA -0.851 55.314 56.400 -0.393 0.000 0.863 409 E CB 1.164 30.663 29.700 -0.335 0.000 1.060 409 E HN 0.295 8.568 8.360 -0.145 0.000 0.402 410 S N 1.455 116.759 115.700 -0.661 0.000 2.607 410 S HA 0.399 nan 4.470 nan 0.000 0.273 410 S C -2.153 171.951 174.600 -0.827 0.000 1.148 410 S CA -1.268 56.537 58.200 -0.658 0.000 0.833 410 S CB 2.504 65.328 63.200 -0.626 0.000 1.130 410 S HN 0.726 8.529 8.310 -0.845 0.000 0.470 411 L N 0.835 121.791 121.223 -0.445 0.000 2.370 411 L HA 0.768 nan 4.340 nan 0.000 0.266 411 L C -1.554 175.305 176.870 -0.018 0.000 1.002 411 L CA -1.523 53.176 54.840 -0.234 0.000 0.818 411 L CB 3.078 45.063 42.059 -0.124 0.000 1.325 411 L HN 0.287 8.336 8.230 -0.301 0.000 0.418 412 L N 1.729 123.022 121.223 0.117 0.000 2.365 412 L HA 0.431 nan 4.340 nan 0.000 0.273 412 L C -2.031 174.881 176.870 0.070 0.000 1.000 412 L CA -1.630 53.299 54.840 0.149 0.000 0.819 412 L CB 4.604 46.788 42.059 0.209 0.000 1.284 412 L HN 0.885 9.067 8.230 0.105 0.111 0.418 413 E N 5.083 125.310 120.200 0.044 0.000 2.115 413 E HA 0.312 nan 4.350 nan 0.000 0.282 413 E C 0.035 176.644 176.600 0.015 0.000 0.987 413 E CA -0.600 55.811 56.400 0.019 0.000 0.797 413 E CB 0.728 30.436 29.700 0.014 0.000 1.086 413 E HN 0.334 8.722 8.360 0.047 0.000 0.397 414 L N 5.877 127.101 121.223 0.000 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.517 178.354 176.870 -0.055 0.000 1.106 414 L CA 2.309 57.149 54.840 0.001 0.000 0.793 414 L CB -0.024 42.051 42.059 0.027 0.000 0.927 414 L HN 0.871 9.101 8.230 0.001 0.000 0.446 415 S N -1.010 114.605 115.700 -0.143 0.000 2.387 415 S HA -0.410 nan 4.470 nan 0.000 0.230 415 S C 1.583 175.968 174.600 -0.359 0.000 1.035 415 S CA 3.171 61.226 58.200 -0.242 0.000 1.014 415 S CB -0.266 62.674 63.200 -0.433 0.000 0.836 415 S HN -0.050 8.181 8.310 -0.132 0.000 0.466 416 H N -1.059 117.837 119.070 -0.290 0.000 2.389 416 H HA -0.106 nan 4.556 nan 0.000 0.299 416 H C 1.720 176.874 175.328 -0.290 0.000 1.081 416 H CA 2.790 58.587 56.048 -0.418 0.000 1.345 416 H CB 0.030 29.405 29.762 -0.645 0.000 1.393 416 H HN -0.068 7.986 8.280 -0.348 0.017 0.520 417 G N -3.038 105.704 108.800 -0.096 0.000 2.394 417 G HA2 -0.107 nan 3.960 nan 0.000 0.215 417 G HA3 -0.107 nan 3.960 nan 0.000 0.215 417 G C -0.563 174.261 174.900 -0.127 0.000 1.165 417 G CA 0.961 45.981 45.100 -0.134 0.000 0.784 417 G HN -0.292 7.966 8.290 -0.053 0.000 0.535 418 I N -5.315 115.216 120.570 -0.066 0.000 2.797 418 I HA 0.455 nan 4.170 nan 0.000 0.307 418 I C -1.922 174.191 176.117 -0.006 0.000 1.033 418 I CA -3.549 57.734 61.300 -0.029 0.000 1.071 418 I CB 2.308 40.320 38.000 0.020 0.000 1.255 418 I HN -0.630 7.547 8.210 -0.055 0.000 0.445 419 N N 2.605 121.299 118.700 -0.010 0.000 2.434 419 N HA -0.193 nan 4.740 nan 0.000 0.268 419 N C -0.426 175.040 175.510 -0.073 0.000 1.256 419 N CA 0.719 53.742 53.050 -0.045 0.000 0.914 419 N CB -0.278 38.164 38.487 -0.075 0.000 1.088 419 N HN 0.017 8.394 8.380 -0.005 0.000 0.478 420 F N 1.164 121.098 119.950 -0.026 0.000 2.163 420 F HA -0.019 nan 4.527 nan 0.000 0.297 420 F C 0.197 175.988 175.800 -0.014 0.000 1.094 420 F CA 0.289 58.265 58.000 -0.039 0.000 1.290 420 F CB -0.026 38.927 39.000 -0.079 0.000 1.017 420 F HN -0.315 8.161 8.300 0.294 0.000 0.483 421 G N 0.337 108.615 108.800 -0.869 0.000 2.531 421 G HA2 -0.543 nan 3.960 nan 0.000 0.274 421 G HA3 -0.543 nan 3.960 nan 0.000 0.274 421 G C 0.546 175.395 174.900 -0.085 0.000 1.159 421 G CA 1.069 45.918 45.100 -0.418 0.000 0.969 421 G HN -0.369 7.036 8.290 -1.707 -0.139 0.554 422 T N 0.910 115.476 114.554 0.020 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.626 175.410 174.700 0.141 0.000 1.048 422 T CA 0.603 62.755 62.100 0.085 0.000 1.139 422 T CB -0.089 68.806 68.868 0.045 0.000 0.874 422 T HN 0.605 8.836 8.240 -0.016 0.000 0.455 423 D N 1.967 122.450 120.400 0.138 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.194 176.558 176.300 0.107 0.000 1.136 423 D CA -0.049 54.015 54.000 0.106 0.000 0.879 423 D CB -0.190 40.658 40.800 0.079 0.000 1.195 423 D HN -0.705 7.740 8.370 0.125 0.000 0.443 424 Q N 2.644 122.461 119.800 0.027 0.000 2.079 424 Q HA -0.194 nan 4.340 nan 0.000 0.200 424 Q C 0.186 176.132 176.000 -0.091 0.000 0.974 424 Q CA 3.269 59.048 55.803 -0.040 0.000 0.840 424 Q CB 0.965 29.680 28.738 -0.038 0.000 0.898 424 Q HN -0.052 8.234 8.270 0.027 0.000 0.430 425 S N -4.760 110.909 115.700 -0.050 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.871 174.600 -0.026 0.000 1.148 425 S CA -0.412 57.745 58.200 -0.072 0.000 0.868 425 S CB 2.149 65.302 63.200 -0.077 0.000 1.115 425 S HN -0.534 7.766 8.310 -0.016 0.000 0.461 426 V N -0.201 119.699 119.914 -0.023 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.853 174.242 176.094 0.002 0.000 1.022 426 V CA -2.478 59.824 62.300 0.004 0.000 0.850 426 V CB 1.755 33.593 31.823 0.025 0.000 0.992 426 V HN 0.056 8.218 8.190 -0.047 0.000 0.426 427 K N 4.734 125.139 120.400 0.007 0.000 2.318 427 K HA 0.844 nan 4.320 nan 0.000 0.249 427 K C -2.271 174.345 176.600 0.028 0.000 0.942 427 K CA -2.459 53.835 56.287 0.011 0.000 0.808 427 K CB 3.490 35.984 32.500 -0.009 0.000 1.189 427 K HN 0.092 8.347 8.250 0.008 0.000 0.428 428 V N 1.912 121.861 119.914 0.057 0.000 2.513 428 V HA 0.624 nan 4.120 nan 0.000 0.299 428 V C -2.244 173.887 176.094 0.063 0.000 1.035 428 V CA -2.848 59.500 62.300 0.080 0.000 0.889 428 V CB 3.250 35.153 31.823 0.133 0.000 0.988 428 V HN 0.687 8.921 8.190 0.072 0.000 0.440 429 K N 9.259 129.662 120.400 0.005 0.000 2.183 429 K HA 0.732 nan 4.320 nan 0.000 0.274 429 K C -1.858 174.686 176.600 -0.094 0.000 1.009 429 K CA -1.365 54.836 56.287 -0.144 0.000 0.888 429 K CB 2.301 34.703 32.500 -0.163 0.000 1.078 429 K HN 0.898 9.067 8.250 0.031 0.099 0.459 430 Y N 2.946 123.155 120.300 -0.153 0.000 2.638 430 Y HA 0.465 nan 4.550 nan 0.000 0.339 430 Y C -2.349 173.380 175.900 -0.286 0.000 1.084 430 Y CA -2.622 55.413 58.100 -0.108 0.000 1.068 430 Y CB 2.279 40.763 38.460 0.040 0.000 1.294 430 Y HN 0.973 8.609 8.280 -0.884 0.114 0.480 431 H N -1.135 118.110 119.070 0.292 0.000 2.622 431 H HA 0.774 nan 4.556 nan 0.000 0.363 431 H C -0.506 174.976 175.328 0.257 0.000 1.151 431 H CA -1.673 54.448 56.048 0.121 0.000 1.184 431 H CB 3.699 33.504 29.762 0.072 0.000 1.643 431 H HN 0.204 8.790 8.280 0.510 0.000 0.531 432 H N -2.093 117.133 119.070 0.260 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.248 173.176 175.328 0.159 0.000 1.252 432 H CA -2.148 54.002 56.048 0.170 0.000 1.117 432 H CB 2.668 32.395 29.762 -0.058 0.000 1.857 432 H HN 0.824 8.945 8.280 -0.265 0.000 0.547 433 L N -0.918 120.549 121.223 0.406 0.000 2.436 433 L HA 0.294 nan 4.340 nan 0.000 0.265 433 L C -0.496 176.670 176.870 0.493 0.000 1.168 433 L CA 0.278 55.333 54.840 0.358 0.000 0.815 433 L CB 0.878 43.121 42.059 0.307 0.000 1.109 433 L HN 0.332 8.856 8.230 0.490 0.000 0.462 434 D N 3.483 124.090 120.400 0.345 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.506 173.920 176.300 0.211 0.000 1.232 434 D CA -1.033 53.136 54.000 0.283 0.000 0.819 434 D CB 3.880 44.788 40.800 0.181 0.000 1.401 434 D HN 0.735 9.287 8.370 0.303 0.000 0.429 435 H N -2.242 116.905 119.070 0.128 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.481 173.843 175.328 -0.008 0.000 1.197 435 H CA -2.109 53.977 56.048 0.065 0.000 1.131 435 H CB 3.006 32.821 29.762 0.089 0.000 1.849 435 H HN 0.015 8.095 8.280 -0.334 0.000 0.555 436 E N 1.149 121.433 120.200 0.139 0.000 2.390 436 E HA 0.040 nan 4.350 nan 0.000 0.261 436 E C -1.612 175.031 176.600 0.072 0.000 1.076 436 E CA -1.911 54.521 56.400 0.053 0.000 0.905 436 E CB 1.179 30.914 29.700 0.057 0.000 0.984 436 E HN 0.058 8.528 8.360 0.184 0.000 0.427 437 P HA 0.099 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.257 177.300 0.018 0.000 1.228 437 P CA 0.289 63.274 63.100 -0.191 0.000 0.786 437 P CB 0.598 32.392 31.700 0.158 0.000 0.927 438 F N -4.083 115.913 119.950 0.077 0.000 2.711 438 F HA 0.651 nan 4.527 nan 0.000 0.313 438 F C -2.170 173.558 175.800 -0.120 0.000 1.141 438 F CA -2.239 55.722 58.000 -0.064 0.000 0.941 438 F CB 2.269 41.160 39.000 -0.182 0.000 1.349 438 F HN -0.498 7.449 8.300 -0.590 0.000 0.464 439 T N -1.411 113.171 114.554 0.048 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.119 172.477 174.700 -0.174 0.000 1.084 439 T CA -1.948 60.087 62.100 -0.108 0.000 1.008 439 T CB 3.155 71.996 68.868 -0.046 0.000 1.170 439 T HN 0.266 8.580 8.240 0.125 0.000 0.509 440 Y N 0.333 120.720 120.300 0.145 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.770 174.156 175.900 0.042 0.000 1.004 440 Y CA -2.023 56.143 58.100 0.110 0.000 1.075 440 Y CB 3.287 41.820 38.460 0.121 0.000 1.214 440 Y HN 0.577 8.907 8.280 0.083 0.000 0.455 441 N N 1.881 120.692 118.700 0.185 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.211 173.338 175.510 0.064 0.000 1.025 441 N CA -0.755 52.346 53.050 0.085 0.000 0.898 441 N CB 2.978 41.493 38.487 0.046 0.000 1.303 441 N HN 0.602 9.103 8.380 0.201 0.000 0.495 442 I N 6.659 127.240 120.570 0.018 0.000 2.406 442 I HA 0.589 nan 4.170 nan 0.000 0.290 442 I C -2.309 173.785 176.117 -0.039 0.000 0.999 442 I CA -2.383 58.909 61.300 -0.014 0.000 1.124 442 I CB 3.076 41.051 38.000 -0.042 0.000 1.289 442 I HN 0.581 8.787 8.210 -0.007 0.000 0.441 443 V N 9.778 129.676 119.914 -0.026 0.000 2.407 443 V HA 0.528 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.529 176.094 -0.027 0.000 1.037 443 V CA -0.874 61.412 62.300 -0.024 0.000 0.900 443 V CB 0.454 32.271 31.823 -0.010 0.000 0.983 443 V HN 0.610 8.790 8.190 -0.017 0.000 0.459 444 V N 7.611 127.510 119.914 -0.025 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.071 174.025 176.094 0.002 0.000 1.061 444 V CA -1.863 60.428 62.300 -0.016 0.000 0.913 444 V CB 3.626 35.436 31.823 -0.023 0.000 1.005 444 V HN 0.924 8.994 8.190 -0.024 0.106 0.428 445 E N 5.613 125.819 120.200 0.010 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.036 174.580 176.600 0.027 0.000 0.930 445 E CA -2.212 54.197 56.400 0.014 0.000 0.770 445 E CB 2.503 32.208 29.700 0.009 0.000 1.104 445 E HN 0.734 9.100 8.360 0.009 0.000 0.403 446 N N 6.877 125.595 118.700 0.029 0.000 2.527 446 N HA 0.272 nan 4.740 nan 0.000 0.236 446 N C 0.589 176.111 175.510 0.020 0.000 0.999 446 N CA -1.576 51.498 53.050 0.040 0.000 0.935 446 N CB 0.528 39.041 38.487 0.044 0.000 1.132 446 N HN 0.246 8.640 8.380 0.023 0.000 0.511 447 N N 7.619 126.325 118.700 0.010 0.000 2.270 447 N HA -0.164 nan 4.740 nan 0.000 0.181 447 N C 0.482 175.986 175.510 -0.010 0.000 1.016 447 N CA 1.897 54.944 53.050 -0.005 0.000 0.870 447 N CB 0.099 38.575 38.487 -0.019 0.000 0.979 447 N HN 0.836 9.132 8.380 0.014 0.093 0.431 448 S N 0.883 116.577 115.700 -0.010 0.000 2.589 448 S HA 0.015 nan 4.470 nan 0.000 0.265 448 S C 1.328 175.927 174.600 -0.001 0.000 1.342 448 S CA 0.450 58.643 58.200 -0.013 0.000 1.005 448 S CB 0.840 64.034 63.200 -0.011 0.000 0.909 448 S HN -0.331 8.202 8.310 -0.000 -0.223 0.555 449 G N -0.870 107.929 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.101 173.802 174.900 0.005 0.000 1.143 449 G CA 0.414 45.515 45.100 0.001 0.000 0.784 449 G HN 0.415 8.702 8.290 -0.006 0.000 0.541 450 A N -0.581 122.245 122.820 0.010 0.000 2.288 450 A HA 0.283 nan 4.320 nan 0.000 0.328 450 A C -1.717 175.870 177.584 0.004 0.000 1.123 450 A CA -1.057 50.987 52.037 0.012 0.000 0.861 450 A CB 2.136 21.151 19.000 0.025 0.000 1.272 450 A HN -0.821 7.297 8.150 0.012 0.039 0.490 451 E N -0.393 119.795 120.200 -0.020 0.000 2.373 451 E HA -0.063 nan 4.350 nan 0.000 0.267 451 E C -0.978 175.553 176.600 -0.114 0.000 1.032 451 E CA 0.474 56.828 56.400 -0.076 0.000 0.889 451 E CB 0.596 30.223 29.700 -0.122 0.000 0.984 451 E HN 0.100 8.453 8.360 -0.012 0.000 0.425 452 K N 1.281 121.601 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.444 174.968 176.600 -0.314 0.000 0.991 452 K CA -2.544 53.698 56.287 -0.075 0.000 0.845 452 K CB 3.332 35.951 32.500 0.197 0.000 1.197 452 K HN 0.695 8.772 8.250 -0.115 0.104 0.441 453 H N -0.814 118.308 119.070 0.087 0.000 2.547 453 H HA 0.811 nan 4.556 nan 0.000 0.342 453 H C -0.822 174.454 175.328 -0.085 0.000 1.048 453 H CA -0.975 55.113 56.048 0.066 0.000 1.204 453 H CB 2.399 32.467 29.762 0.509 0.000 1.493 453 H HN 0.453 8.852 8.280 0.197 0.000 0.511 454 S N 2.151 117.693 115.700 -0.264 0.000 2.570 454 S HA 0.669 nan 4.470 nan 0.000 0.286 454 S C -1.177 173.297 174.600 -0.210 0.000 1.099 454 S CA -1.652 56.388 58.200 -0.267 0.000 0.913 454 S CB 2.613 65.606 63.200 -0.344 0.000 1.085 454 S HN 0.956 8.890 8.310 -0.627 0.000 0.480 455 T N 3.946 118.440 114.554 -0.100 0.000 2.749 455 T HA 0.496 nan 4.350 nan 0.000 0.287 455 T C -0.935 173.612 174.700 -0.255 0.000 0.970 455 T CA 0.040 62.096 62.100 -0.073 0.000 0.980 455 T CB 0.601 69.498 68.868 0.048 0.000 0.924 455 T HN 0.212 8.377 8.240 -0.126 0.000 0.456 456 V N 8.114 127.704 119.914 -0.540 0.000 2.439 456 V HA 0.511 nan 4.120 nan 0.000 0.282 456 V C -1.286 174.542 176.094 -0.445 0.000 1.039 456 V CA -0.889 61.044 62.300 -0.611 0.000 0.913 456 V CB 0.832 32.007 31.823 -1.080 0.000 0.983 456 V HN 1.153 8.796 8.190 -0.742 0.102 0.460 457 R N 6.012 126.407 120.500 -0.175 0.000 2.480 457 R HA 0.853 nan 4.340 nan 0.000 0.306 457 R C -1.479 174.842 176.300 0.035 0.000 0.958 457 R CA -1.446 54.656 56.100 0.003 0.000 0.861 457 R CB 2.681 33.145 30.300 0.274 0.000 1.171 457 R HN 0.946 9.129 8.270 -0.146 0.000 0.445 458 I N 2.929 123.441 120.570 -0.097 0.000 2.498 458 I HA 0.678 nan 4.170 nan 0.000 0.290 458 I C -1.715 174.287 176.117 -0.192 0.000 1.032 458 I CA -0.978 60.285 61.300 -0.061 0.000 1.073 458 I CB 3.124 40.994 38.000 -0.217 0.000 1.251 458 I HN 0.757 8.840 8.210 -0.211 0.000 0.426 459 F N 4.956 125.050 119.950 0.239 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.206 173.748 175.800 0.257 0.000 1.069 459 F CA -1.560 56.589 58.000 0.247 0.000 0.953 459 F CB 4.555 43.698 39.000 0.238 0.000 1.322 459 F HN 0.579 9.180 8.300 0.502 0.000 0.479 460 L N 0.517 121.988 121.223 0.413 0.000 2.386 460 L HA 0.859 nan 4.340 nan 0.000 0.271 460 L C -2.499 174.534 176.870 0.273 0.000 0.993 460 L CA -1.683 53.332 54.840 0.293 0.000 0.819 460 L CB 4.194 46.313 42.059 0.100 0.000 1.294 460 L HN 0.636 9.102 8.230 0.392 0.000 0.414 461 A N 4.715 127.665 122.820 0.216 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.007 177.584 0.042 0.000 1.059 461 A CA -2.761 49.196 52.037 -0.134 0.000 0.698 461 A CB 2.346 20.758 19.000 -0.980 0.000 1.289 461 A HN 0.799 9.126 8.150 0.294 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.986 177.300 -0.318 0.000 1.216 462 P CA -0.552 62.359 63.100 -0.316 0.000 0.771 462 P CB 0.458 31.991 31.700 -0.277 0.000 0.864 463 K N 1.025 121.206 120.400 -0.366 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.124 176.450 176.600 -0.457 0.000 1.051 463 K CA 2.286 58.351 56.287 -0.369 0.000 0.949 463 K CB 1.055 33.299 32.500 -0.425 0.000 0.726 463 K HN -0.119 7.828 8.250 -0.506 0.000 0.443 464 Y N -4.565 115.583 120.300 -0.254 0.000 2.310 464 Y HA -0.015 nan 4.550 nan 0.000 0.326 464 Y C -0.262 175.535 175.900 -0.172 0.000 1.151 464 Y CA 0.701 58.690 58.100 -0.185 0.000 1.195 464 Y CB 0.722 39.077 38.460 -0.175 0.000 1.210 464 Y HN -0.587 7.629 8.280 -0.106 0.000 0.483 465 D N 2.497 122.906 120.400 0.016 0.000 2.530 465 D HA 0.106 nan 4.640 nan 0.000 0.282 465 D C -0.126 176.177 176.300 0.005 0.000 1.204 465 D CA -1.495 52.493 54.000 -0.021 0.000 1.093 465 D CB 1.815 42.591 40.800 -0.041 0.000 1.154 465 D HN -0.372 8.016 8.370 0.030 0.000 0.593 466 E N -1.779 118.412 120.200 -0.016 0.000 2.479 466 E HA 0.043 nan 4.350 nan 0.000 0.193 466 E C -0.258 176.338 176.600 -0.006 0.000 1.049 466 E CA 0.835 57.226 56.400 -0.015 0.000 0.870 466 E CB 0.242 29.928 29.700 -0.024 0.000 0.944 466 E HN 0.331 8.674 8.360 -0.028 0.000 0.492 467 L N -1.206 120.018 121.223 0.002 0.000 2.738 467 L HA 0.242 nan 4.340 nan 0.000 0.178 467 L C 0.641 177.524 176.870 0.021 0.000 1.281 467 L CA 1.158 55.999 54.840 0.003 0.000 0.864 467 L CB -0.448 41.607 42.059 -0.006 0.000 1.224 467 L HN -0.166 7.971 8.230 0.003 0.096 0.520 468 N N -3.267 115.452 118.700 0.031 0.000 3.439 468 N HA 0.019 nan 4.740 nan 0.000 0.313 468 N C -1.868 173.679 175.510 0.062 0.000 1.598 468 N CA -0.767 52.327 53.050 0.074 0.000 0.830 468 N CB 1.782 40.298 38.487 0.048 0.000 1.849 468 N HN -0.521 7.867 8.380 0.013 0.000 0.598 469 N N -0.198 118.523 118.700 0.036 0.000 2.416 469 N HA -0.165 nan 4.740 nan 0.000 0.271 469 N C -1.294 174.099 175.510 -0.196 0.000 1.245 469 N CA 1.231 54.134 53.050 -0.245 0.000 0.940 469 N CB 0.106 38.406 38.487 -0.313 0.000 1.175 469 N HN 0.250 8.689 8.380 0.098 0.000 0.483 470 K N 4.596 124.882 120.400 -0.190 0.000 2.740 470 K HA 0.226 nan 4.320 nan 0.000 0.246 470 K C -1.192 175.334 176.600 -0.123 0.000 1.021 470 K CA -1.102 55.111 56.287 -0.124 0.000 1.021 470 K CB 1.256 33.711 32.500 -0.075 0.000 1.233 470 K HN -0.262 7.855 8.250 -0.222 0.000 0.497 471 L N 6.257 127.414 121.223 -0.111 0.000 2.416 471 L HA 0.030 nan 4.340 nan 0.000 0.243 471 L C -0.984 175.862 176.870 -0.040 0.000 1.373 471 L CA -0.606 54.183 54.840 -0.085 0.000 1.227 471 L CB -1.272 40.754 42.059 -0.056 0.000 1.428 471 L HN 0.691 8.859 8.230 -0.103 0.000 0.425 472 E N 2.200 122.367 120.200 -0.055 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.397 175.190 176.600 -0.022 0.000 1.031 472 E CA -2.525 53.858 56.400 -0.028 0.000 0.824 472 E CB 0.018 29.698 29.700 -0.033 0.000 1.076 472 E HN -0.156 8.112 8.360 -0.083 0.043 0.395 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.710 178.024 177.300 0.023 0.000 1.146 473 P CA 2.530 65.652 63.100 0.036 0.000 0.808 473 P CB 0.172 31.877 31.700 0.008 0.000 0.779 474 D N -1.632 118.769 120.400 0.002 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.552 178.849 176.300 -0.005 0.000 0.989 474 D CA 3.094 57.095 54.000 0.002 0.000 0.827 474 D CB -0.380 40.420 40.800 -0.001 0.000 0.966 474 D HN 0.311 8.657 8.370 0.001 0.025 0.456 475 E N -0.528 119.652 120.200 -0.034 0.000 2.106 475 E HA -0.305 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.169 176.600 -0.117 0.000 0.984 475 E CA 2.596 58.957 56.400 -0.065 0.000 0.806 475 E CB -0.108 29.544 29.700 -0.081 0.000 0.750 475 E HN -0.486 7.854 8.360 -0.035 0.000 0.458 476 Q N -1.664 118.046 119.800 -0.150 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.855 176.000 -0.352 0.000 0.980 476 Q CA 2.806 58.363 55.803 -0.410 0.000 0.869 476 Q CB -0.361 28.132 28.738 -0.408 0.000 0.912 476 Q HN -0.221 7.879 8.270 -0.084 0.120 0.436 477 R N -1.722 118.810 120.500 0.054 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.282 176.300 0.045 0.000 1.136 477 R CA 2.692 58.901 56.100 0.182 0.000 0.959 477 R CB -0.549 29.836 30.300 0.141 0.000 0.856 477 R HN -0.671 7.498 8.270 0.058 0.136 0.437 478 R N -3.151 117.326 120.500 -0.038 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.001 178.235 176.300 -0.110 0.000 1.126 478 R CA 1.484 57.554 56.100 -0.050 0.000 0.963 478 R CB -0.188 30.084 30.300 -0.047 0.000 0.858 478 R HN -0.531 7.713 8.270 -0.044 0.000 0.435 479 L N -1.723 119.368 121.223 -0.220 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.613 177.314 176.870 -0.282 0.000 1.095 479 L CA 1.536 56.211 54.840 -0.276 0.000 0.770 479 L CB 0.095 41.905 42.059 -0.415 0.000 0.914 479 L HN -0.741 7.191 8.230 -0.272 0.135 0.439 480 F N -2.572 117.206 119.950 -0.288 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.250 176.006 175.800 -0.073 0.000 1.083 480 F CA 1.714 59.518 58.000 -0.326 0.000 1.266 480 F CB 0.153 38.584 39.000 -0.948 0.000 1.076 480 F HN -0.628 7.405 8.300 -0.446 0.000 0.574 481 I N -1.448 119.285 120.570 0.271 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.733 174.576 176.117 0.321 0.000 1.011 481 I CA -2.245 59.189 61.300 0.223 0.000 1.107 481 I CB 3.431 41.473 38.000 0.070 0.000 1.285 481 I HN 0.670 9.045 8.210 0.275 0.000 0.436 482 E N 4.766 125.084 120.200 0.197 0.000 2.152 482 E HA 0.133 nan 4.350 nan 0.000 0.285 482 E C -0.241 176.248 176.600 -0.185 0.000 1.043 482 E CA -1.058 55.167 56.400 -0.292 0.000 0.839 482 E CB 1.239 30.870 29.700 -0.114 0.000 1.069 482 E HN -0.209 8.547 8.360 0.257 -0.242 0.399 483 L N 5.939 127.020 121.223 -0.236 0.000 2.095 483 L HA -0.036 nan 4.340 nan 0.000 0.204 483 L C -0.455 176.380 176.870 -0.059 0.000 1.080 483 L CA 1.865 56.670 54.840 -0.058 0.000 0.759 483 L CB 0.439 42.520 42.059 0.036 0.000 0.914 483 L HN 0.448 8.439 8.230 -0.398 0.000 0.439 484 D N -5.460 114.856 120.400 -0.140 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.794 173.503 176.300 -0.006 0.000 1.218 484 D CA -0.094 53.905 54.000 -0.002 0.000 0.748 484 D CB 3.285 44.181 40.800 0.160 0.000 1.387 484 D HN -0.636 7.555 8.370 -0.299 0.000 0.438 485 K N 2.262 122.721 120.400 0.098 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.916 174.802 176.600 0.197 0.000 0.948 485 K CA -0.578 55.740 56.287 0.051 0.000 0.796 485 K CB 2.987 35.507 32.500 0.034 0.000 1.216 485 K HN -0.259 8.077 8.250 0.144 0.000 0.432 486 F N 1.301 121.276 119.950 0.042 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.116 172.761 175.800 0.128 0.000 1.141 486 F CA -1.931 56.118 58.000 0.081 0.000 0.939 486 F CB 1.960 40.996 39.000 0.061 0.000 1.325 486 F HN 0.173 8.177 8.300 -0.494 0.000 0.453 487 F N 0.161 120.224 119.950 0.188 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.198 173.722 175.800 0.199 0.000 1.105 487 F CA -1.124 56.898 58.000 0.036 0.000 1.049 487 F CB 2.143 41.038 39.000 -0.175 0.000 1.139 487 F HN -0.199 8.419 8.300 0.530 0.000 0.479 488 Y N 7.532 127.080 120.300 -1.253 0.000 2.562 488 Y HA 0.227 nan 4.550 nan 0.000 0.345 488 Y C -2.458 172.789 175.900 -1.088 0.000 1.045 488 Y CA -0.743 56.881 58.100 -0.793 0.000 1.028 488 Y CB 4.778 43.088 38.460 -0.250 0.000 1.297 488 Y HN 0.720 8.252 8.280 -1.247 0.000 0.463 489 T N 5.401 119.361 114.554 -0.990 0.000 2.823 489 T HA 0.645 nan 4.350 nan 0.000 0.279 489 T C -1.468 173.062 174.700 -0.282 0.000 0.998 489 T CA -0.609 61.166 62.100 -0.542 0.000 0.994 489 T CB 0.941 69.611 68.868 -0.330 0.000 0.960 489 T HN -0.000 7.261 8.240 -1.632 0.000 0.448 490 L N 6.299 127.433 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.535 176.309 176.870 -0.043 0.000 1.006 490 L CA -1.419 53.418 54.840 -0.005 0.000 0.817 490 L CB 2.465 44.543 42.059 0.031 0.000 1.272 490 L HN 1.021 8.997 8.230 -0.228 0.117 0.421 491 T N 0.019 114.569 114.554 -0.007 0.000 2.862 491 T HA 0.493 nan 4.350 nan 0.000 0.276 491 T C -2.156 172.546 174.700 0.004 0.000 0.974 491 T CA -3.143 58.949 62.100 -0.013 0.000 0.966 491 T CB -0.482 68.383 68.868 -0.004 0.000 1.072 491 T HN -0.247 8.171 8.240 0.027 -0.162 0.538 492 P HA -0.013 nan 4.420 nan 0.000 0.274 492 P C -0.895 176.412 177.300 0.011 0.000 1.231 492 P CA -0.022 63.083 63.100 0.009 0.000 0.790 492 P CB 0.270 31.973 31.700 0.005 0.000 0.951 493 G N 2.035 110.842 108.800 0.011 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.743 173.165 174.900 0.014 0.000 1.331 493 G CA -0.582 44.525 45.100 0.011 0.000 0.891 493 G HN 0.044 8.341 8.290 0.011 0.000 0.539 494 K N 1.088 121.495 120.400 0.012 0.000 2.237 494 K HA 0.271 nan 4.320 nan 0.000 0.270 494 K C -0.715 175.895 176.600 0.017 0.000 1.015 494 K CA 0.518 56.812 56.287 0.012 0.000 0.949 494 K CB 0.822 33.327 32.500 0.008 0.000 0.976 494 K HN 0.104 8.360 8.250 0.010 0.000 0.472 495 N N 2.306 121.015 118.700 0.014 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.232 173.273 175.510 -0.008 0.000 1.125 495 N CA -0.679 52.384 53.050 0.022 0.000 0.783 495 N CB 5.094 43.610 38.487 0.049 0.000 1.558 495 N HN 0.312 8.696 8.380 0.007 0.000 0.472 496 T N -2.330 112.214 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.881 173.748 174.700 -0.119 0.000 0.991 496 T CA -1.437 60.634 62.100 -0.049 0.000 0.964 496 T CB 1.147 70.002 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.807 127.254 120.570 -0.205 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.401 174.610 176.117 -0.176 0.000 0.992 497 I CA -0.851 60.210 61.300 -0.398 0.000 1.154 497 I CB 2.516 40.148 38.000 -0.612 0.000 1.315 497 I HN 0.771 8.784 8.210 -0.146 0.110 0.448 498 V N 7.401 127.232 119.914 -0.140 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.248 174.792 176.094 -0.090 0.000 1.038 498 V CA -1.525 60.743 62.300 -0.053 0.000 0.887 498 V CB 1.821 33.625 31.823 -0.032 0.000 0.991 498 V HN 0.281 8.371 8.190 -0.168 0.000 0.434 499 R N 7.726 128.199 120.500 -0.044 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.293 173.970 176.300 -0.063 0.000 0.987 499 R CA -2.567 53.443 56.100 -0.150 0.000 0.901 499 R CB 4.147 34.234 30.300 -0.355 0.000 1.207 499 R HN 0.221 8.528 8.270 0.063 0.000 0.463 500 N N 3.491 122.098 118.700 -0.155 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.136 176.486 175.510 -0.266 0.000 1.129 500 N CA -1.413 51.510 53.050 -0.211 0.000 0.931 500 N CB 1.477 39.815 38.487 -0.248 0.000 1.193 500 N HN 0.353 8.612 8.380 -0.202 0.000 0.500 501 H N 0.527 119.323 119.070 -0.458 0.000 2.421 501 H HA -0.311 nan 4.556 nan 0.000 0.298 501 H C 2.134 177.317 175.328 -0.242 0.000 1.087 501 H CA 3.723 59.460 56.048 -0.518 0.000 1.330 501 H CB -0.045 28.950 29.762 -1.278 0.000 1.388 501 H HN 0.581 8.594 8.280 -0.444 0.000 0.526 502 Q N -1.159 117.940 119.800 -1.169 0.000 2.135 502 Q HA -0.336 nan 4.340 nan 0.000 0.204 502 Q C 0.797 176.598 176.000 -0.333 0.000 0.981 502 Q CA 2.610 57.943 55.803 -0.784 0.000 0.856 502 Q CB -0.837 27.529 28.738 -0.619 0.000 0.902 502 Q HN 0.341 7.856 8.270 -1.203 0.033 0.425 503 D N -2.568 117.669 120.400 -0.273 0.000 2.310 503 D HA -0.012 nan 4.640 nan 0.000 0.212 503 D C 0.481 176.719 176.300 -0.104 0.000 0.965 503 D CA 0.545 54.441 54.000 -0.174 0.000 0.879 503 D CB 0.162 40.846 40.800 -0.194 0.000 0.921 503 D HN -0.603 7.647 8.370 -0.322 -0.073 0.510 504 S N 0.706 116.368 115.700 -0.064 0.000 2.715 504 S HA -0.351 nan 4.470 nan 0.000 0.318 504 S C 0.809 175.400 174.600 -0.015 0.000 1.242 504 S CA 0.611 58.815 58.200 0.007 0.000 1.044 504 S CB 0.344 63.584 63.200 0.067 0.000 0.760 504 S HN -0.475 7.587 8.310 -0.095 0.191 0.501 505 S N 8.699 124.392 115.700 -0.012 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.624 176.161 174.600 -0.105 0.000 1.005 505 S CA 3.253 61.434 58.200 -0.031 0.000 0.949 505 S CB 0.110 63.307 63.200 -0.004 0.000 0.774 505 S HN 0.137 8.750 8.310 0.021 -0.290 0.510 506 V N -6.275 113.522 119.914 -0.195 0.000 2.719 506 V HA 0.046 nan 4.120 nan 0.000 0.252 506 V C -0.519 175.491 176.094 -0.141 0.000 1.065 506 V CA 1.435 63.468 62.300 -0.445 0.000 1.086 506 V CB -0.836 30.615 31.823 -0.621 0.000 0.700 506 V HN -0.630 7.446 8.190 -0.136 0.032 0.467 507 T N -3.838 110.716 114.554 -0.000 0.000 2.945 507 T HA 0.536 nan 4.350 nan 0.000 0.286 507 T C -1.403 173.331 174.700 0.055 0.000 1.025 507 T CA -2.692 59.462 62.100 0.091 0.000 1.039 507 T CB 2.420 71.356 68.868 0.112 0.000 1.068 507 T HN -0.711 7.479 8.240 -0.018 0.039 0.497 508 I N 2.290 122.898 120.570 0.063 0.000 2.416 508 I HA 0.068 nan 4.170 nan 0.000 0.288 508 I C 0.009 176.113 176.117 -0.021 0.000 1.051 508 I CA -2.042 59.268 61.300 0.016 0.000 1.375 508 I CB 1.751 39.766 38.000 0.025 0.000 1.407 508 I HN 0.137 8.398 8.210 0.084 0.000 0.516 509 S N 9.434 125.099 115.700 -0.060 0.000 2.383 509 S HA -0.228 nan 4.470 nan 0.000 0.227 509 S C -0.142 174.413 174.600 -0.075 0.000 1.026 509 S CA 2.366 60.523 58.200 -0.071 0.000 0.981 509 S CB 0.461 63.604 63.200 -0.095 0.000 0.818 509 S HN 0.422 8.941 8.310 -0.073 -0.252 0.472 510 K N -1.363 118.970 120.400 -0.111 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.314 174.202 176.600 -0.140 0.000 0.935 510 K CA -0.059 56.167 56.287 -0.100 0.000 0.850 510 K CB 2.161 34.601 32.500 -0.099 0.000 1.372 510 K HN -0.802 7.359 8.250 -0.149 0.000 0.420 511 V N 2.041 121.910 119.914 -0.074 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.805 175.287 176.094 -0.003 0.000 1.024 511 V CA -1.823 60.444 62.300 -0.056 0.000 0.861 511 V CB 1.533 33.344 31.823 -0.019 0.000 0.985 511 V HN 0.103 8.268 8.190 -0.042 0.000 0.436 512 R N 6.815 127.359 120.500 0.073 0.000 2.390 512 R HA 0.171 nan 4.340 nan 0.000 0.291 512 R C -0.114 176.217 176.300 0.051 0.000 1.070 512 R CA -0.796 55.364 56.100 0.098 0.000 1.014 512 R CB 0.233 30.661 30.300 0.213 0.000 1.007 512 R HN 0.042 8.395 8.270 0.138 0.000 0.466 513 T N 1.911 116.485 114.554 0.034 0.000 2.868 513 T HA 0.203 nan 4.350 nan 0.000 0.292 513 T C 0.972 175.695 174.700 0.038 0.000 1.028 513 T CA -0.746 61.372 62.100 0.030 0.000 1.059 513 T CB 1.649 70.541 68.868 0.040 0.000 0.991 513 T HN 0.050 8.312 8.240 0.036 0.000 0.531 514 F N 5.579 125.395 119.950 -0.224 0.000 2.192 514 F HA -0.379 nan 4.527 nan 0.000 0.301 514 F C 1.267 176.943 175.800 -0.207 0.000 1.079 514 F CA 3.453 61.243 58.000 -0.350 0.000 1.303 514 F CB 0.205 38.673 39.000 -0.886 0.000 1.024 514 F HN 0.365 9.017 8.300 0.058 -0.318 0.494 515 D N -1.991 118.507 120.400 0.164 0.000 2.092 515 D HA -0.340 nan 4.640 nan 0.000 0.193 515 D C 2.494 178.845 176.300 0.085 0.000 0.994 515 D CA 3.471 57.557 54.000 0.143 0.000 0.828 515 D CB -0.752 40.118 40.800 0.116 0.000 0.963 515 D HN -0.435 8.020 8.370 0.128 -0.008 0.450 516 Q N -0.795 119.037 119.800 0.054 0.000 2.030 516 Q HA -0.293 nan 4.340 nan 0.000 0.204 516 Q C 2.968 178.975 176.000 0.012 0.000 0.986 516 Q CA 2.792 58.614 55.803 0.032 0.000 0.843 516 Q CB 0.112 28.869 28.738 0.033 0.000 0.904 516 Q HN -0.584 7.629 8.270 0.056 0.091 0.420 517 L N -1.339 119.875 121.223 -0.014 0.000 2.129 517 L HA -0.316 nan 4.340 nan 0.000 0.212 517 L C 2.182 179.021 176.870 -0.052 0.000 1.087 517 L CA 2.247 57.038 54.840 -0.082 0.000 0.757 517 L CB -0.782 41.163 42.059 -0.189 0.000 0.896 517 L HN 0.279 8.507 8.230 -0.004 0.000 0.434 518 G N -2.091 106.726 108.800 0.029 0.000 2.450 518 G HA2 -0.308 nan 3.960 nan 0.000 0.220 518 G HA3 -0.308 nan 3.960 nan 0.000 0.220 518 G C -0.207 174.712 174.900 0.031 0.000 1.130 518 G CA 0.971 46.112 45.100 0.067 0.000 0.760 518 G HN -0.069 8.050 8.290 0.069 0.212 0.557 519 A N 1.143 123.972 122.820 0.016 0.000 2.109 519 A HA 0.266 nan 4.320 nan 0.000 0.220 519 A C -0.412 177.163 177.584 -0.014 0.000 1.613 519 A CA 0.342 52.382 52.037 0.004 0.000 0.620 519 A CB 1.171 20.175 19.000 0.007 0.000 1.212 519 A HN -0.202 7.829 8.150 0.019 0.130 0.508 520 G N -1.846 106.941 108.800 -0.022 0.000 2.194 520 G HA2 -0.099 nan 3.960 nan 0.000 0.178 520 G HA3 -0.099 nan 3.960 nan 0.000 0.178 520 G C -1.812 173.072 174.900 -0.026 0.000 2.173 520 G CA -0.488 44.590 45.100 -0.037 0.000 1.042 520 G HN 0.015 8.297 8.290 -0.014 0.000 0.588 521 E N 0.954 121.142 120.200 -0.021 0.000 2.405 521 E HA 0.361 nan 4.350 nan 0.000 0.249 521 E C -0.826 175.778 176.600 0.007 0.000 1.028 521 E CA -0.683 55.719 56.400 0.004 0.000 0.897 521 E CB 1.454 31.174 29.700 0.034 0.000 1.262 521 E HN 0.077 8.416 8.360 -0.035 0.000 0.442 522 G N -0.320 108.496 108.800 0.027 0.000 4.566 522 G HA2 0.151 nan 3.960 nan 0.000 0.276 522 G HA3 0.151 nan 3.960 nan 0.000 0.276 522 G C -1.393 173.527 174.900 0.034 0.000 1.248 522 G CA 0.291 45.402 45.100 0.018 0.000 0.858 522 G HN 0.221 8.532 8.290 0.035 0.000 0.549 523 V N -0.040 119.927 119.914 0.088 0.000 2.374 523 V HA -0.106 nan 4.120 nan 0.000 0.241 523 V C -0.207 175.929 176.094 0.070 0.000 1.034 523 V CA 1.725 64.068 62.300 0.071 0.000 1.037 523 V CB 0.405 32.277 31.823 0.082 0.000 0.682 523 V HN 0.364 8.636 8.190 0.136 0.000 0.463 524 S N -0.888 114.886 115.700 0.123 0.000 4.572 524 S HA -0.098 nan 4.470 nan 0.000 0.234 524 S C -1.716 172.895 174.600 0.017 0.000 1.071 524 S CA 0.268 58.493 58.200 0.041 0.000 1.087 524 S CB 0.362 63.570 63.200 0.012 0.000 1.979 524 S HN -0.316 8.151 8.310 0.262 0.000 0.503 525 E N 1.385 121.569 120.200 -0.026 0.000 2.646 525 E HA 0.247 nan 4.350 nan 0.000 0.336 525 E C -1.839 174.702 176.600 -0.097 0.000 1.027 525 E CA 0.288 56.619 56.400 -0.116 0.000 0.765 525 E CB 1.702 31.315 29.700 -0.146 0.000 1.545 525 E HN -0.169 8.184 8.360 -0.010 0.000 0.382 526 D N 2.871 123.235 120.400 -0.061 0.000 3.093 526 D HA 0.464 nan 4.640 nan 0.000 0.200 526 D C -0.757 175.489 176.300 -0.091 0.000 1.344 526 D CA -0.799 53.162 54.000 -0.065 0.000 1.133 526 D CB 3.011 43.796 40.800 -0.025 0.000 1.188 526 D HN 0.098 8.443 8.370 -0.042 0.000 0.583 527 S N -0.704 114.957 115.700 -0.066 0.000 3.865 527 S HA 0.207 nan 4.470 nan 0.000 0.182 527 S C 1.744 176.312 174.600 -0.053 0.000 1.141 527 S CA 1.038 59.182 58.200 -0.094 0.000 1.257 527 S CB 0.708 63.836 63.200 -0.120 0.000 1.779 527 S HN 0.052 8.337 8.310 -0.041 0.000 0.816 528 T N 4.118 118.643 114.554 -0.049 0.000 2.951 528 T HA -0.148 nan 4.350 nan 0.000 0.268 528 T C 1.291 175.951 174.700 -0.066 0.000 1.073 528 T CA 4.457 66.561 62.100 0.007 0.000 1.134 528 T CB -0.212 68.699 68.868 0.071 0.000 0.884 528 T HN 0.547 8.740 8.240 -0.078 0.000 0.479 529 E N 0.308 120.464 120.200 -0.074 0.000 2.274 529 E HA -0.255 nan 4.350 nan 0.000 0.194 529 E C 1.856 178.406 176.600 -0.084 0.000 0.996 529 E CA 1.876 58.223 56.400 -0.088 0.000 0.840 529 E CB -1.426 28.242 29.700 -0.054 0.000 0.772 529 E HN -0.097 8.190 8.360 -0.078 0.026 0.491 530 Y N 2.655 122.856 120.300 -0.164 0.000 2.029 530 Y HA -0.508 nan 4.550 nan 0.000 0.269 530 Y C -0.218 175.611 175.900 -0.118 0.000 1.201 530 Y CA 3.594 61.616 58.100 -0.130 0.000 1.115 530 Y CB 0.125 38.505 38.460 -0.133 0.000 0.945 530 Y HN -0.329 7.782 8.280 0.050 0.198 0.497 531 C N -7.462 111.743 119.300 -0.158 0.000 3.730 531 C HA 0.239 nan 4.460 nan 0.000 0.397 531 C C 0.651 175.542 174.990 -0.165 0.000 1.468 531 C CA -2.242 56.593 59.018 -0.304 0.000 1.931 531 C CB 0.151 27.788 27.740 -0.172 0.000 2.773 531 C HN 0.283 8.526 8.230 0.021 0.000 0.692 532 S N 2.624 118.176 115.700 -0.247 0.000 2.361 532 S HA -0.212 nan 4.470 nan 0.000 0.214 532 S C 0.408 174.894 174.600 -0.191 0.000 1.034 532 S CA 2.570 60.447 58.200 -0.539 0.000 1.025 532 S CB 0.110 62.457 63.200 -1.422 0.000 0.996 532 S HN -0.230 7.937 8.310 -0.239 0.000 0.422 533 C N -0.518 118.690 119.300 -0.153 0.000 2.876 533 C HA -0.104 nan 4.460 nan 0.000 0.276 533 C C 0.144 175.365 174.990 0.384 0.000 1.582 533 C CA 1.431 60.597 59.018 0.247 0.000 2.061 533 C CB 0.486 28.337 27.740 0.184 0.000 2.044 533 C HN -0.316 7.630 8.230 -0.257 0.129 0.647 534 G N -0.593 108.552 108.800 0.576 0.000 2.722 534 G HA2 -0.335 nan 3.960 nan 0.000 0.686 534 G HA3 -0.335 nan 3.960 nan 0.000 0.686 534 G C -1.401 173.708 174.900 0.347 0.000 1.282 534 G CA -0.546 44.802 45.100 0.414 0.000 0.817 534 G HN 0.110 8.802 8.290 0.671 0.000 0.605 535 W N 2.034 123.313 121.300 -0.035 0.000 2.190 535 W HA 0.034 nan 4.660 nan 0.000 0.330 535 W C -1.324 175.151 176.519 -0.073 0.000 1.299 535 W CA -1.763 55.488 57.345 -0.157 0.000 1.215 535 W CB 1.181 30.683 29.460 0.069 0.000 1.147 535 W HN 0.626 9.054 8.180 0.412 0.000 0.563 536 P HA -0.174 nan 4.420 nan 0.000 0.265 536 P C -0.981 176.162 177.300 -0.261 0.000 1.193 536 P CA 0.347 63.243 63.100 -0.339 0.000 0.765 536 P CB 0.378 31.730 31.700 -0.579 0.000 0.823 537 E N 4.102 124.240 120.200 -0.104 0.000 2.077 537 E HA -0.401 nan 4.350 nan 0.000 0.193 537 E C 2.037 178.673 176.600 0.059 0.000 0.989 537 E CA 3.469 59.897 56.400 0.046 0.000 0.800 537 E CB 0.052 29.798 29.700 0.075 0.000 0.746 537 E HN 0.719 9.040 8.360 -0.065 0.000 0.452 538 H N -3.367 115.729 119.070 0.043 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.800 177.279 175.328 0.251 0.000 1.087 538 H CA 2.416 58.510 56.048 0.077 0.000 1.330 538 H CB -0.741 29.059 29.762 0.064 0.000 1.388 538 H HN 0.226 8.460 8.280 -0.076 0.000 0.526 539 M N -1.992 117.525 119.600 -0.138 0.000 2.630 539 M HA -0.094 nan 4.480 nan 0.000 0.254 539 M C 1.702 178.211 176.300 0.349 0.000 1.092 539 M CA -0.385 54.973 55.300 0.096 0.000 1.087 539 M CB -1.529 30.973 32.600 -0.164 0.000 1.453 539 M HN -0.700 7.174 8.290 -0.616 0.047 0.509 540 L N -0.034 121.416 121.223 0.378 0.000 2.043 540 L HA -0.275 nan 4.340 nan 0.000 0.212 540 L C -0.459 176.533 176.870 0.203 0.000 1.075 540 L CA 2.937 57.986 54.840 0.350 0.000 0.752 540 L CB 0.232 42.532 42.059 0.402 0.000 0.891 540 L HN -0.508 7.775 8.230 0.383 0.176 0.432 541 I N -4.622 116.009 120.570 0.102 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.988 174.149 176.117 0.034 0.000 1.033 541 I CA -3.559 57.717 61.300 -0.042 0.000 1.071 541 I CB 0.838 38.691 38.000 -0.244 0.000 1.255 541 I HN -0.521 7.794 8.210 0.188 0.008 0.445 542 P HA 0.074 nan 4.420 nan 0.000 0.272 542 P C -1.426 175.890 177.300 0.027 0.000 1.240 542 P CA -0.623 62.474 63.100 -0.005 0.000 0.791 542 P CB 0.640 32.273 31.700 -0.113 0.000 0.978 543 R N 0.286 120.844 120.500 0.096 0.000 2.081 543 R HA -0.291 nan 4.340 nan 0.000 0.235 543 R C 0.692 177.050 176.300 0.096 0.000 1.131 543 R CA 1.125 57.250 56.100 0.041 0.000 0.960 543 R CB 0.582 30.751 30.300 -0.218 0.000 0.856 543 R HN -0.110 8.493 8.270 0.162 -0.236 0.436 544 G N -2.131 106.747 108.800 0.130 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.008 173.984 174.900 0.154 0.000 1.312 544 G CA -0.324 44.910 45.100 0.223 0.000 0.896 544 G HN -0.666 7.707 8.290 0.137 0.000 0.574 545 S N -0.560 115.240 115.700 0.167 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.206 174.923 174.600 0.196 0.000 1.159 545 S CA -1.580 56.711 58.200 0.152 0.000 0.833 545 S CB 2.842 66.094 63.200 0.085 0.000 1.151 545 S HN -0.400 8.019 8.310 0.181 0.000 0.485 546 H N 4.137 123.287 119.070 0.134 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.552 174.816 175.328 0.067 0.000 1.087 546 H CA 3.204 59.321 56.048 0.115 0.000 1.330 546 H CB 0.336 30.146 29.762 0.081 0.000 1.388 546 H HN 0.703 9.154 8.280 0.285 0.000 0.526 547 K N -5.579 114.903 120.400 0.138 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.164 176.774 176.600 0.016 0.000 1.050 547 K CA 0.307 56.632 56.287 0.064 0.000 0.945 547 K CB -0.145 32.372 32.500 0.028 0.000 0.732 547 K HN -0.219 8.121 8.250 0.169 0.012 0.451 548 G N 0.836 109.656 108.800 0.033 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.387 173.550 174.900 0.061 0.000 1.013 548 G CA -0.533 44.594 45.100 0.046 0.000 1.226 548 G HN -0.423 7.719 8.290 0.060 0.183 0.563 549 M N 2.105 121.771 119.600 0.110 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.494 174.877 176.300 0.119 0.000 1.130 549 M CA 0.542 55.880 55.300 0.064 0.000 1.162 549 M CB 2.195 34.852 32.600 0.096 0.000 1.497 549 M HN 0.079 8.468 8.290 0.164 0.000 0.456 550 E N 3.241 123.457 120.200 0.025 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.934 175.547 176.600 -0.199 0.000 1.015 550 E CA -0.182 56.265 56.400 0.079 0.000 0.823 550 E CB 1.320 31.134 29.700 0.190 0.000 1.081 550 E HN 0.225 8.594 8.360 0.015 0.000 0.396 551 F N 3.098 123.083 119.950 0.059 0.000 2.576 551 F HA 0.540 nan 4.527 nan 0.000 0.313 551 F C -1.593 174.231 175.800 0.041 0.000 1.078 551 F CA -1.375 56.643 58.000 0.031 0.000 0.921 551 F CB 4.357 43.369 39.000 0.019 0.000 1.232 551 F HN 0.594 9.073 8.300 0.298 0.000 0.459 552 E N 1.525 121.853 120.200 0.214 0.000 2.313 552 E HA 0.432 nan 4.350 nan 0.000 0.276 552 E C -1.837 174.934 176.600 0.284 0.000 1.031 552 E CA -0.830 55.697 56.400 0.212 0.000 0.857 552 E CB 2.400 32.224 29.700 0.207 0.000 1.040 552 E HN 0.817 9.176 8.360 0.154 0.093 0.408 553 L N 6.896 128.271 121.223 0.253 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.267 174.776 176.870 0.289 0.000 1.013 553 L CA -0.794 54.191 54.840 0.241 0.000 0.819 553 L CB 2.351 44.505 42.059 0.157 0.000 1.227 553 L HN 0.404 8.659 8.230 0.210 0.101 0.417 554 F N 9.501 129.566 119.950 0.192 0.000 2.467 554 F HA 0.673 nan 4.527 nan 0.000 0.336 554 F C -2.411 173.473 175.800 0.140 0.000 1.123 554 F CA -1.922 56.192 58.000 0.189 0.000 0.964 554 F CB 3.544 42.706 39.000 0.271 0.000 1.136 554 F HN 0.765 9.326 8.300 0.435 0.000 0.447 555 V N 8.458 128.006 119.914 -0.611 0.000 2.588 555 V HA 0.722 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.139 176.094 -0.706 0.000 1.042 555 V CA -1.441 60.593 62.300 -0.443 0.000 0.877 555 V CB 2.945 34.603 31.823 -0.276 0.000 0.996 555 V HN 0.991 8.693 8.190 -0.814 0.000 0.425 556 M N 5.546 124.927 119.600 -0.365 0.000 2.457 556 M HA 0.856 nan 4.480 nan 0.000 0.300 556 M C -2.649 173.576 176.300 -0.125 0.000 1.141 556 M CA -1.287 53.871 55.300 -0.236 0.000 0.901 556 M CB 4.399 37.018 32.600 0.031 0.000 1.687 556 M HN 0.671 8.853 8.290 -0.180 0.000 0.449 557 L N 5.230 126.390 121.223 -0.106 0.000 2.346 557 L HA 0.691 nan 4.340 nan 0.000 0.276 557 L C -1.708 175.099 176.870 -0.105 0.000 1.006 557 L CA -0.749 54.009 54.840 -0.137 0.000 0.817 557 L CB 1.948 43.910 42.059 -0.161 0.000 1.272 557 L HN 0.438 8.614 8.230 -0.091 0.000 0.421 558 T N 2.232 116.686 114.554 -0.168 0.000 2.916 558 T HA 0.344 nan 4.350 nan 0.000 0.292 558 T C -1.922 172.544 174.700 -0.390 0.000 1.064 558 T CA -1.669 60.339 62.100 -0.153 0.000 1.011 558 T CB 3.254 72.108 68.868 -0.023 0.000 1.152 558 T HN 0.000 8.121 8.240 -0.199 0.000 0.510 559 D N 1.179 121.372 120.400 -0.345 0.000 2.358 559 D HA 0.044 nan 4.640 nan 0.000 0.258 559 D C 0.396 176.660 176.300 -0.061 0.000 1.223 559 D CA -0.539 53.265 54.000 -0.327 0.000 0.886 559 D CB 0.556 41.483 40.800 0.212 0.000 1.120 559 D HN 0.382 8.705 8.370 -0.078 0.000 0.482 560 H N 8.656 127.698 119.070 -0.046 0.000 2.389 560 H HA -0.331 nan 4.556 nan 0.000 0.299 560 H C 1.726 177.079 175.328 0.042 0.000 1.081 560 H CA 4.082 60.178 56.048 0.081 0.000 1.345 560 H CB 0.633 30.613 29.762 0.363 0.000 1.393 560 H HN 0.246 8.571 8.280 0.075 0.000 0.520 561 D N -0.528 119.944 120.400 0.120 0.000 2.123 561 D HA -0.262 nan 4.640 nan 0.000 0.196 561 D C 1.793 178.057 176.300 -0.060 0.000 0.992 561 D CA 3.117 57.137 54.000 0.033 0.000 0.833 561 D CB -0.499 40.365 40.800 0.107 0.000 0.954 561 D HN -0.110 8.681 8.370 0.219 -0.290 0.455 562 E N -0.887 119.294 120.200 -0.032 0.000 2.047 562 E HA -0.221 nan 4.350 nan 0.000 0.191 562 E C 1.268 177.788 176.600 -0.133 0.000 0.987 562 E CA 2.191 58.556 56.400 -0.057 0.000 0.799 562 E CB 0.231 29.915 29.700 -0.027 0.000 0.752 562 E HN -0.480 7.892 8.360 0.023 0.002 0.449 563 D N -2.056 118.228 120.400 -0.194 0.000 2.144 563 D HA -0.137 nan 4.640 nan 0.000 0.199 563 D C 0.254 176.382 176.300 -0.288 0.000 0.984 563 D CA 1.861 55.722 54.000 -0.231 0.000 0.834 563 D CB 0.441 41.108 40.800 -0.223 0.000 0.955 563 D HN -0.468 7.736 8.370 -0.167 0.065 0.465 564 T N -0.961 113.316 114.554 -0.462 0.000 2.882 564 T HA 0.064 nan 4.350 nan 0.000 0.287 564 T C -0.020 174.561 174.700 -0.198 0.000 1.014 564 T CA 0.096 61.972 62.100 -0.373 0.000 1.049 564 T CB 0.850 69.429 68.868 -0.482 0.000 1.001 564 T HN -0.300 7.592 8.240 -0.580 0.000 0.525 565 V N -0.143 119.692 119.914 -0.132 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.033 175.018 176.094 -0.072 0.000 1.060 565 V CA -2.906 59.346 62.300 -0.080 0.000 0.989 565 V CB 1.371 33.165 31.823 -0.048 0.000 1.041 565 V HN 0.111 8.222 8.190 -0.133 0.000 0.459 566 A N 2.190 124.979 122.820 -0.051 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.632 176.934 177.584 -0.030 0.000 1.155 566 A CA -0.396 51.615 52.037 -0.045 0.000 0.814 566 A CB 1.626 20.602 19.000 -0.038 0.000 1.206 566 A HN 0.371 8.496 8.150 -0.042 0.000 0.482 567 G N -1.082 107.701 108.800 -0.028 0.000 2.322 567 G HA2 0.082 nan 3.960 nan 0.000 0.295 567 G HA3 0.082 nan 3.960 nan 0.000 0.295 567 G C -1.969 172.919 174.900 -0.019 0.000 1.369 567 G CA -0.203 44.886 45.100 -0.017 0.000 0.821 567 G HN -0.124 8.145 8.290 -0.035 0.000 0.536 568 L N 0.834 122.049 121.223 -0.013 0.000 2.377 568 L HA 0.407 nan 4.340 nan 0.000 0.270 568 L C -0.483 176.381 176.870 -0.010 0.000 0.991 568 L CA 0.216 55.047 54.840 -0.014 0.000 0.851 568 L CB 0.997 43.049 42.059 -0.011 0.000 1.218 568 L HN 0.256 8.482 8.230 -0.006 0.000 0.420 569 S N 3.636 119.326 115.700 -0.015 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.005 173.585 174.600 -0.017 0.000 1.051 569 S CA -0.903 57.289 58.200 -0.012 0.000 1.729 569 S CB 1.026 64.218 63.200 -0.014 0.000 0.892 569 S HN 0.343 8.641 8.310 -0.021 0.000 0.720 570 E N 1.246 121.434 120.200 -0.020 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.868 175.717 176.600 -0.026 0.000 1.028 570 E CA -0.679 55.708 56.400 -0.022 0.000 0.897 570 E CB 1.536 31.223 29.700 -0.022 0.000 1.262 570 E HN 0.143 8.490 8.360 -0.021 0.000 0.442 571 N N -0.894 117.791 118.700 -0.026 0.000 2.235 571 N HA -0.107 nan 4.740 nan 0.000 0.231 571 N C -1.205 174.288 175.510 -0.027 0.000 1.330 571 N CA -0.075 52.959 53.050 -0.027 0.000 0.898 571 N CB 0.451 38.922 38.487 -0.026 0.000 1.151 571 N HN -0.104 8.261 8.380 -0.025 0.000 0.472 572 A N -0.836 121.968 122.820 -0.027 0.000 2.476 572 A HA -0.014 nan 4.320 nan 0.000 0.275 572 A C -1.431 176.138 177.584 -0.024 0.000 1.133 572 A CA 0.538 52.559 52.037 -0.027 0.000 0.797 572 A CB 0.020 19.005 19.000 -0.026 0.000 1.081 572 A HN 0.150 8.285 8.150 -0.026 0.000 0.510 573 V N 3.110 123.009 119.914 -0.025 0.000 3.528 573 V HA 0.308 nan 4.120 nan 0.000 0.301 573 V C -0.774 175.306 176.094 -0.022 0.000 1.332 573 V CA -2.173 60.114 62.300 -0.022 0.000 1.004 573 V CB 3.659 35.466 31.823 -0.026 0.000 1.222 573 V HN -0.138 8.036 8.190 -0.027 0.000 0.478 574 C N 2.138 121.426 119.300 -0.021 0.000 2.551 574 C HA 0.215 nan 4.460 nan 0.000 0.378 574 C C 0.253 175.234 174.990 -0.016 0.000 1.101 574 C CA 0.267 59.272 59.018 -0.023 0.000 1.360 574 C CB -2.858 24.871 27.740 -0.019 0.000 1.895 574 C HN 0.092 8.309 8.230 -0.021 0.000 0.540 575 S N 6.533 122.221 115.700 -0.020 0.000 2.679 575 S HA 0.081 nan 4.470 nan 0.000 0.258 575 S C 0.915 175.507 174.600 -0.013 0.000 1.068 575 S CA 0.906 59.096 58.200 -0.016 0.000 1.115 575 S CB 1.361 64.546 63.200 -0.026 0.000 1.078 575 S HN 0.437 8.704 8.310 -0.028 0.026 0.603 576 D N 3.911 124.298 120.400 -0.022 0.000 2.370 576 D HA -0.356 nan 4.640 nan 0.000 0.190 576 D C -0.300 175.995 176.300 -0.009 0.000 1.019 576 D CA 2.966 56.951 54.000 -0.025 0.000 0.869 576 D CB -0.023 40.751 40.800 -0.044 0.000 0.944 576 D HN 0.370 8.722 8.370 -0.030 0.000 0.456 577 A N -3.276 119.552 122.820 0.014 0.000 2.462 577 A HA 0.224 nan 4.320 nan 0.000 0.261 577 A C 1.184 178.817 177.584 0.081 0.000 1.323 577 A CA -0.526 51.541 52.037 0.049 0.000 0.913 577 A CB -0.305 18.759 19.000 0.106 0.000 1.028 577 A HN -0.183 7.964 8.150 0.013 0.012 0.511 578 V N -2.885 117.053 119.914 0.041 0.000 2.370 578 V HA -0.542 nan 4.120 nan 0.000 0.252 578 V C 1.925 178.093 176.094 0.123 0.000 1.068 578 V CA 3.416 65.741 62.300 0.042 0.000 1.061 578 V CB -1.346 30.433 31.823 -0.073 0.000 0.656 578 V HN -0.200 7.914 8.190 0.013 0.083 0.455 579 S N 2.116 117.853 115.700 0.062 0.000 2.374 579 S HA -0.343 nan 4.470 nan 0.000 0.227 579 S C 2.102 176.939 174.600 0.396 0.000 1.037 579 S CA 3.906 62.174 58.200 0.113 0.000 1.024 579 S CB -0.053 63.042 63.200 -0.175 0.000 0.861 579 S HN -0.454 7.818 8.310 -0.017 0.027 0.456 580 Y N -1.337 119.169 120.300 0.344 0.000 2.558 580 Y HA 0.160 nan 4.550 nan 0.000 0.273 580 Y C 1.550 177.755 175.900 0.507 0.000 1.100 580 Y CA 0.176 58.525 58.100 0.414 0.000 1.276 580 Y CB -0.006 38.653 38.460 0.330 0.000 1.196 580 Y HN -0.720 7.679 8.280 0.230 0.020 0.527 581 C N -3.784 115.872 119.300 0.594 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.330 175.569 174.990 0.414 0.000 1.358 581 C CA 1.889 61.205 59.018 0.496 0.000 1.747 581 C CB -0.081 27.882 27.740 0.372 0.000 2.037 581 C HN -0.324 8.194 8.230 0.481 0.000 0.503 582 G N -1.134 107.897 108.800 0.385 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.393 172.590 174.900 0.140 0.000 1.345 582 G CA -0.586 44.713 45.100 0.331 0.000 0.877 582 G HN -0.348 8.029 8.290 0.360 0.129 0.549 583 A N -0.245 122.622 122.820 0.078 0.000 2.380 583 A HA 0.305 nan 4.320 nan 0.000 0.315 583 A C -0.915 176.670 177.584 0.002 0.000 1.101 583 A CA -1.551 50.495 52.037 0.014 0.000 0.771 583 A CB 2.585 21.570 19.000 -0.025 0.000 1.287 583 A HN 0.220 8.440 8.150 0.116 0.000 0.436 584 R N 2.167 122.652 120.500 -0.026 0.000 2.484 584 R HA -0.287 nan 4.340 nan 0.000 0.293 584 R C -0.158 176.120 176.300 -0.037 0.000 1.023 584 R CA 0.949 57.017 56.100 -0.054 0.000 1.037 584 R CB -0.255 30.010 30.300 -0.058 0.000 0.951 584 R HN 0.338 8.594 8.270 -0.023 0.000 0.418 585 D N 3.963 124.340 120.400 -0.039 0.000 2.701 585 D HA -0.290 nan 4.640 nan 0.000 0.235 585 D C -1.633 174.670 176.300 0.006 0.000 1.155 585 D CA 1.544 55.542 54.000 -0.004 0.000 0.649 585 D CB -0.442 40.363 40.800 0.008 0.000 1.050 585 D HN 0.242 8.571 8.370 -0.069 0.000 0.425 586 D N -1.919 118.486 120.400 0.009 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.550 176.300 0.040 0.000 1.178 586 D CA -1.175 52.833 54.000 0.014 0.000 0.881 586 D CB 2.378 43.174 40.800 -0.005 0.000 1.453 586 D HN -0.783 7.582 8.370 0.006 0.008 0.447 587 R N 2.891 123.414 120.500 0.040 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.767 175.585 176.300 0.087 0.000 1.078 587 R CA -0.191 55.953 56.100 0.073 0.000 1.127 587 R CB 1.094 31.425 30.300 0.053 0.000 1.038 587 R HN 0.391 8.675 8.270 0.023 0.000 0.500 588 Y N 3.906 124.219 120.300 0.023 0.000 2.632 588 Y HA -0.067 nan 4.550 nan 0.000 0.329 588 Y C -1.716 174.183 175.900 -0.002 0.000 1.174 588 Y CA -1.565 56.547 58.100 0.021 0.000 1.469 588 Y CB 0.999 39.470 38.460 0.018 0.000 1.242 588 Y HN 0.244 8.678 8.280 0.257 0.000 0.540 589 P HA -0.082 nan 4.420 nan 0.000 0.239 589 P C -1.992 175.184 177.300 -0.208 0.000 1.184 589 P CA 0.771 63.704 63.100 -0.278 0.000 0.760 589 P CB 0.240 31.774 31.700 -0.277 0.000 0.884 590 D N -3.552 116.773 120.400 -0.125 0.000 2.505 590 D HA 0.094 nan 4.640 nan 0.000 0.249 590 D C -0.903 175.457 176.300 0.099 0.000 1.082 590 D CA -1.642 52.367 54.000 0.015 0.000 0.839 590 D CB 2.318 43.182 40.800 0.107 0.000 1.317 590 D HN -0.943 7.340 8.370 -0.033 0.068 0.497 591 K N 3.989 124.375 120.400 -0.023 0.000 2.097 591 K HA -0.218 nan 4.320 nan 0.000 0.205 591 K C 0.996 177.554 176.600 -0.069 0.000 1.050 591 K CA 1.179 57.439 56.287 -0.046 0.000 0.938 591 K CB 0.505 32.949 32.500 -0.094 0.000 0.718 591 K HN 0.276 8.378 8.250 -0.079 0.101 0.442 592 K N -0.909 119.418 120.400 -0.121 0.000 2.380 592 K HA -0.182 nan 4.320 nan 0.000 0.267 592 K C -0.352 176.202 176.600 -0.077 0.000 0.990 592 K CA -0.025 56.131 56.287 -0.217 0.000 0.946 592 K CB 0.322 32.587 32.500 -0.393 0.000 0.937 592 K HN -0.608 7.859 8.250 -0.115 -0.287 0.491 593 A N 1.116 123.906 122.820 -0.050 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.364 177.978 177.584 0.050 0.000 1.070 593 A CA 0.292 52.340 52.037 0.018 0.000 0.770 593 A CB 0.456 19.512 19.000 0.093 0.000 1.008 593 A HN 0.211 8.297 8.150 -0.106 0.000 0.497 594 M N 2.621 122.190 119.600 -0.052 0.000 2.246 594 M HA -0.313 nan 4.480 nan 0.000 0.350 594 M C 0.808 177.149 176.300 0.067 0.000 1.406 594 M CA 2.184 57.358 55.300 -0.210 0.000 1.089 594 M CB -0.038 32.173 32.600 -0.649 0.000 1.782 594 M HN -0.214 8.270 8.290 -0.060 -0.230 0.457 595 G N 0.989 109.906 108.800 0.196 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.718 174.294 174.900 0.187 0.000 0.986 595 G CA -0.427 44.911 45.100 0.397 0.000 0.643 595 G HN 0.293 8.675 8.290 0.153 0.000 0.522 596 F N 3.325 123.286 119.950 0.018 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.424 175.800 -0.300 0.000 1.126 596 F CA -0.961 56.950 58.000 -0.148 0.000 1.321 596 F CB 1.125 40.042 39.000 -0.139 0.000 1.094 596 F HN -0.514 7.912 8.300 0.321 0.067 0.594 597 P HA -0.047 nan 4.420 nan 0.000 0.245 597 P C 0.016 176.634 177.300 -1.137 0.000 1.212 597 P CA 0.979 62.928 63.100 -1.918 0.000 0.774 597 P CB -0.072 30.579 31.700 -1.749 0.000 0.999 598 F N -0.799 118.775 119.950 -0.626 0.000 2.407 598 F HA -0.338 nan 4.527 nan 0.000 0.299 598 F C 0.521 176.230 175.800 -0.151 0.000 1.097 598 F CA 2.873 60.589 58.000 -0.474 0.000 1.422 598 F CB -0.926 37.746 39.000 -0.548 0.000 1.067 598 F HN -0.041 7.641 8.300 -0.893 0.083 0.539 599 D N -2.828 117.644 120.400 0.119 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.368 176.756 176.300 0.147 0.000 0.980 599 D CA 2.178 56.294 54.000 0.194 0.000 0.842 599 D CB -0.453 40.486 40.800 0.232 0.000 0.948 599 D HN 0.021 8.382 8.370 0.067 0.049 0.472 600 R N -1.582 119.008 120.500 0.151 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.359 175.954 176.300 0.023 0.000 1.048 600 R CA -1.208 54.916 56.100 0.039 0.000 1.086 600 R CB 1.499 31.697 30.300 -0.170 0.000 1.166 600 R HN -0.897 7.528 8.270 0.259 0.000 0.526 601 K N 0.909 121.311 120.400 0.004 0.000 2.436 601 K HA -0.112 nan 4.320 nan 0.000 0.275 601 K C -0.657 175.955 176.600 0.019 0.000 0.999 601 K CA 0.525 56.817 56.287 0.009 0.000 0.980 601 K CB 0.384 32.885 32.500 0.003 0.000 0.919 601 K HN 0.261 8.505 8.250 -0.010 0.000 0.484 602 I N 5.004 125.578 120.570 0.007 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.784 175.371 176.117 0.064 0.000 0.994 602 I CA -0.688 60.629 61.300 0.028 0.000 1.158 602 I CB 1.017 38.962 38.000 -0.093 0.000 1.315 602 I HN 0.135 8.345 8.210 0.001 0.000 0.451 603 E N 7.054 127.320 120.200 0.110 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.228 176.421 176.600 0.082 0.000 0.984 603 E CA 1.858 58.309 56.400 0.086 0.000 0.806 603 E CB 0.440 30.196 29.700 0.093 0.000 0.750 603 E HN 0.379 8.837 8.360 0.163 0.000 0.458 604 A N -3.010 119.882 122.820 0.120 0.000 2.407 604 A HA 0.045 nan 4.320 nan 0.000 0.248 604 A C 0.635 178.262 177.584 0.072 0.000 1.082 604 A CA 0.299 52.399 52.037 0.105 0.000 0.785 604 A CB 0.551 19.642 19.000 0.153 0.000 1.020 604 A HN -0.412 7.816 8.150 0.173 0.026 0.489 605 R N -0.196 120.337 120.500 0.054 0.000 2.090 605 R HA -0.142 nan 4.340 nan 0.000 0.228 605 R C -0.005 176.316 176.300 0.035 0.000 1.110 605 R CA 1.307 57.427 56.100 0.034 0.000 0.973 605 R CB 0.311 30.626 30.300 0.025 0.000 0.869 605 R HN 0.472 8.775 8.270 0.055 0.000 0.440 606 T N -3.993 110.593 114.554 0.053 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.617 174.140 174.700 0.096 0.000 1.034 606 T CA -2.121 60.012 62.100 0.054 0.000 1.010 606 T CB 2.794 71.689 68.868 0.045 0.000 1.068 606 T HN -0.934 7.345 8.240 0.065 0.000 0.481 607 A N 4.963 127.844 122.820 0.100 0.000 1.933 607 A HA -0.169 nan 4.320 nan 0.000 0.218 607 A C 1.607 179.313 177.584 0.204 0.000 1.175 607 A CA 3.105 55.233 52.037 0.152 0.000 0.628 607 A CB -0.187 18.912 19.000 0.164 0.000 0.814 607 A HN 0.430 8.622 8.150 0.070 0.000 0.444 608 A N -2.282 120.630 122.820 0.152 0.000 1.940 608 A HA -0.271 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.045 177.584 0.140 0.000 1.176 608 A CA 2.740 54.864 52.037 0.145 0.000 0.631 608 A CB -0.640 18.416 19.000 0.094 0.000 0.814 608 A HN -0.338 7.860 8.150 0.115 0.021 0.446 609 E N -1.892 118.384 120.200 0.127 0.000 2.153 609 E HA -0.319 nan 4.350 nan 0.000 0.194 609 E C 1.048 177.715 176.600 0.111 0.000 0.988 609 E CA 1.949 58.408 56.400 0.099 0.000 0.811 609 E CB -0.189 29.564 29.700 0.088 0.000 0.746 609 E HN -0.562 7.759 8.360 0.123 0.114 0.466 610 F N -2.739 117.234 119.950 0.038 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.290 175.531 175.800 0.035 0.000 1.090 610 F CA 1.413 59.426 58.000 0.022 0.000 1.307 610 F CB 0.626 39.622 39.000 -0.007 0.000 1.019 610 F HN -0.679 7.645 8.300 0.311 0.163 0.489 611 L N -1.007 120.298 121.223 0.137 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.389 177.224 176.870 -0.059 0.000 1.218 611 L CA 0.851 55.753 54.840 0.103 0.000 0.878 611 L CB -0.156 41.997 42.059 0.156 0.000 1.127 611 L HN -0.708 7.498 8.230 0.215 0.153 0.492 612 T N -0.349 114.163 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.603 174.084 174.700 -0.022 0.000 0.989 612 T CA -3.105 58.950 62.100 -0.074 0.000 0.968 612 T CB 0.475 69.293 68.868 -0.084 0.000 1.135 612 T HN -0.519 7.714 8.240 -0.013 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.752 176.548 177.300 0.001 0.000 1.151 613 P CA 1.936 65.032 63.100 -0.006 0.000 0.787 613 P CB 0.137 31.833 31.700 -0.006 0.000 0.788 614 N N -4.040 114.670 118.700 0.016 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.888 175.510 -0.047 0.000 1.130 614 N CA -0.825 52.236 53.050 0.018 0.000 0.845 614 N CB -0.280 38.265 38.487 0.096 0.000 1.073 614 N HN -0.459 7.891 8.380 0.018 0.041 0.496 615 M N -1.147 118.409 119.600 -0.074 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.417 174.764 176.300 -0.199 0.000 1.229 615 M CA -0.415 54.766 55.300 -0.199 0.000 0.860 615 M CB 5.271 37.879 32.600 0.012 0.000 1.741 615 M HN -0.693 7.480 8.290 -0.041 0.093 0.462 616 G N -1.021 107.551 108.800 -0.380 0.000 2.742 616 G HA2 0.244 nan 3.960 nan 0.000 0.296 616 G HA3 0.244 nan 3.960 nan 0.000 0.296 616 G C -3.576 171.244 174.900 -0.134 0.000 1.436 616 G CA 0.125 45.125 45.100 -0.168 0.000 0.928 616 G HN 0.470 8.278 8.290 -0.803 0.000 0.520 617 L N 0.163 121.415 121.223 0.049 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.879 176.052 176.870 0.102 0.000 0.988 617 L CA -0.614 54.314 54.840 0.148 0.000 0.824 617 L CB 3.028 45.234 42.059 0.245 0.000 1.263 617 L HN 0.053 8.316 8.230 0.055 0.000 0.410 618 T N 5.751 120.369 114.554 0.107 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.980 172.782 174.700 0.104 0.000 0.993 618 T CA -1.188 60.964 62.100 0.087 0.000 0.967 618 T CB 2.131 71.044 68.868 0.076 0.000 0.960 618 T HN 0.744 8.950 8.240 0.132 0.113 0.441 619 D N 4.556 125.008 120.400 0.086 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.327 176.300 0.087 0.000 1.114 619 D CA -0.929 53.126 54.000 0.092 0.000 0.854 619 D CB 0.491 41.331 40.800 0.067 0.000 1.132 619 D HN 0.057 8.470 8.370 0.071 0.000 0.461 620 I N -4.499 116.137 120.570 0.109 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.876 174.316 176.117 0.124 0.000 1.095 620 I CA -2.570 58.780 61.300 0.083 0.000 1.000 620 I CB 3.828 41.853 38.000 0.041 0.000 1.229 620 I HN 0.392 8.690 8.210 0.145 0.000 0.454 621 K N -0.628 119.826 120.400 0.088 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.577 175.080 176.600 0.095 0.000 0.942 621 K CA -2.228 54.133 56.287 0.124 0.000 0.816 621 K CB 3.054 35.598 32.500 0.073 0.000 1.155 621 K HN 0.266 8.541 8.250 0.041 0.000 0.428 622 I N 2.698 123.367 120.570 0.165 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.143 176.117 0.110 0.000 0.999 622 I CA -0.985 60.366 61.300 0.084 0.000 1.129 622 I CB 1.942 39.962 38.000 0.033 0.000 1.288 622 I HN 0.700 9.077 8.210 0.279 0.000 0.444 623 K N 5.117 125.553 120.400 0.060 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.775 174.874 176.600 0.081 0.000 0.934 623 K CA -2.343 53.972 56.287 0.047 0.000 0.801 623 K CB 2.774 35.244 32.500 -0.051 0.000 1.137 623 K HN 0.570 8.839 8.250 0.031 0.000 0.424 624 F N 4.895 124.843 119.950 -0.002 0.000 2.375 624 F HA 0.343 nan 4.527 nan 0.000 0.333 624 F C -1.649 174.197 175.800 0.076 0.000 1.104 624 F CA -0.970 57.052 58.000 0.037 0.000 1.149 624 F CB 2.667 41.686 39.000 0.032 0.000 1.190 624 F HN 0.545 8.825 8.300 0.252 0.171 0.533 625 H N 7.122 125.547 119.070 -1.074 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.223 173.670 175.328 -0.724 0.000 1.066 625 H CA -1.697 53.987 56.048 -0.607 0.000 1.209 625 H CB 3.243 32.739 29.762 -0.443 0.000 1.445 625 H HN 0.330 7.501 8.280 -1.850 0.000 0.488 626 G N 0.000 108.524 108.800 -0.460 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 45.009 45.100 -0.152 0.000 0.502 626 G HN 0.000 8.007 8.290 -0.472 0.000 0.925