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_D 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 0.000 174.647 174.700 -0.089 0.000 1.109 1 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 1 T CB 0.000 68.841 68.868 -0.045 0.000 0.612 2 V N 2.642 122.495 119.914 -0.102 0.000 2.343 2 V HA -0.167 nan 4.120 nan 0.000 0.247 2 V C 1.167 177.184 176.094 -0.127 0.000 1.051 2 V CA 3.278 65.495 62.300 -0.139 0.000 1.036 2 V CB -0.314 31.431 31.823 -0.130 0.000 0.654 2 V HN 0.563 8.703 8.190 -0.084 0.000 0.451 3 A N -1.124 121.642 122.820 -0.090 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.046 178.594 177.584 -0.060 0.000 1.181 3 A CA 3.363 55.356 52.037 -0.074 0.000 0.623 3 A CB -0.930 18.040 19.000 -0.050 0.000 0.818 3 A HN -0.071 8.032 8.150 -0.078 0.000 0.443 4 D N -2.341 118.030 120.400 -0.048 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.224 178.510 176.300 -0.022 0.000 0.987 4 D CA 3.194 57.181 54.000 -0.021 0.000 0.829 4 D CB -0.263 40.532 40.800 -0.008 0.000 0.961 4 D HN 0.023 8.234 8.370 -0.056 0.125 0.460 5 K N -0.250 120.099 120.400 -0.085 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.453 179.005 176.600 -0.079 0.000 1.049 5 K CA 3.035 59.237 56.287 -0.141 0.000 0.931 5 K CB -0.067 32.202 32.500 -0.384 0.000 0.714 5 K HN -0.544 7.542 8.250 -0.109 0.098 0.440 6 Q N -1.844 117.893 119.800 -0.105 0.000 2.084 6 Q HA -0.308 nan 4.340 nan 0.000 0.202 6 Q C 2.448 178.421 176.000 -0.046 0.000 0.978 6 Q CA 2.942 58.685 55.803 -0.101 0.000 0.844 6 Q CB -0.255 28.399 28.738 -0.139 0.000 0.898 6 Q HN -0.018 8.075 8.270 -0.119 0.105 0.426 7 A N -1.123 121.687 122.820 -0.016 0.000 1.902 7 A HA -0.274 nan 4.320 nan 0.000 0.217 7 A C 1.270 178.900 177.584 0.077 0.000 1.181 7 A CA 2.711 54.763 52.037 0.025 0.000 0.623 7 A CB -0.709 18.314 19.000 0.039 0.000 0.818 7 A HN -0.250 7.795 8.150 -0.026 0.089 0.443 8 R N -3.153 117.414 120.500 0.112 0.000 2.096 8 R HA -0.257 nan 4.340 nan 0.000 0.235 8 R C 2.599 179.025 176.300 0.210 0.000 1.127 8 R CA 2.630 58.834 56.100 0.174 0.000 0.968 8 R CB 0.076 30.527 30.300 0.252 0.000 0.861 8 R HN -0.477 7.759 8.270 0.090 0.087 0.440 9 L N -1.046 120.317 121.223 0.232 0.000 2.083 9 L HA -0.297 nan 4.340 nan 0.000 0.209 9 L C 2.666 179.719 176.870 0.305 0.000 1.083 9 L CA 2.972 57.993 54.840 0.302 0.000 0.752 9 L CB -0.403 41.834 42.059 0.296 0.000 0.899 9 L HN -0.219 8.046 8.230 0.187 0.078 0.433 10 M N -1.116 118.553 119.600 0.116 0.000 2.086 10 M HA -0.257 nan 4.480 nan 0.000 0.261 10 M C -0.755 175.714 176.300 0.281 0.000 1.067 10 M CA 5.819 61.123 55.300 0.007 0.000 1.116 10 M CB -2.373 30.009 32.600 -0.363 0.000 1.348 10 M HN -0.301 7.932 8.290 0.052 0.088 0.407 11 P HA -0.161 nan 4.420 nan 0.000 0.225 11 P C 0.493 177.903 177.300 0.182 0.000 1.148 11 P CA 2.325 65.573 63.100 0.247 0.000 0.779 11 P CB -0.817 30.994 31.700 0.184 0.000 0.780 12 L N -3.158 118.154 121.223 0.148 0.000 2.083 12 L HA -0.351 nan 4.340 nan 0.000 0.209 12 L C 1.910 178.738 176.870 -0.069 0.000 1.083 12 L CA 2.662 57.503 54.840 0.001 0.000 0.752 12 L CB -0.279 41.737 42.059 -0.072 0.000 0.899 12 L HN -0.249 7.940 8.230 0.208 0.166 0.433 13 F N -4.824 115.266 119.950 0.234 0.000 2.558 13 F HA -0.219 nan 4.527 nan 0.000 0.298 13 F C 0.066 175.978 175.800 0.187 0.000 1.119 13 F CA 1.566 59.702 58.000 0.227 0.000 1.451 13 F CB -0.168 38.932 39.000 0.167 0.000 1.091 13 F HN -0.753 7.636 8.300 0.332 0.111 0.563 14 K N -2.103 118.498 120.400 0.336 0.000 2.144 14 K HA 0.038 nan 4.320 nan 0.000 0.270 14 K C -0.128 176.606 176.600 0.224 0.000 1.005 14 K CA -0.384 56.070 56.287 0.279 0.000 0.932 14 K CB 0.578 33.304 32.500 0.377 0.000 1.021 14 K HN -0.992 7.260 8.250 0.310 0.184 0.462 15 H N -0.471 118.639 119.070 0.067 0.000 2.692 15 H HA -0.344 nan 4.556 nan 0.000 0.316 15 H C 0.745 176.074 175.328 0.001 0.000 1.176 15 H CA 1.058 57.123 56.048 0.029 0.000 1.142 15 H CB -1.905 27.876 29.762 0.032 0.000 1.475 15 H HN 0.841 9.033 8.280 -0.147 0.000 0.423 16 L N -2.553 118.705 121.223 0.058 0.000 2.083 16 L HA -0.328 nan 4.340 nan 0.000 0.209 16 L C 1.623 178.531 176.870 0.062 0.000 1.083 16 L CA 2.896 57.762 54.840 0.043 0.000 0.752 16 L CB -1.110 41.028 42.059 0.132 0.000 0.899 16 L HN 0.244 8.476 8.230 0.004 0.000 0.433 17 T N -1.075 113.535 114.554 0.095 0.000 2.708 17 T HA -0.308 nan 4.350 nan 0.000 0.266 17 T C 2.159 176.900 174.700 0.067 0.000 1.037 17 T CA 3.964 66.126 62.100 0.104 0.000 1.146 17 T CB -0.699 68.233 68.868 0.108 0.000 0.865 17 T HN 0.181 8.455 8.240 0.075 0.012 0.435 18 A N 1.237 124.104 122.820 0.078 0.000 1.969 18 A HA -0.094 nan 4.320 nan 0.000 0.218 18 A C 1.233 178.824 177.584 0.012 0.000 1.169 18 A CA 1.959 54.029 52.037 0.056 0.000 0.635 18 A CB -0.855 18.201 19.000 0.092 0.000 0.810 18 A HN -0.166 8.039 8.150 0.109 0.011 0.445 19 L N -3.322 117.899 121.223 -0.002 0.000 2.349 19 L HA -0.210 nan 4.340 nan 0.000 0.220 19 L C 0.636 177.460 176.870 -0.076 0.000 1.130 19 L CA 1.238 56.040 54.840 -0.063 0.000 0.791 19 L CB -0.157 41.819 42.059 -0.139 0.000 0.918 19 L HN -0.321 7.782 8.230 0.025 0.142 0.444 20 T N -0.682 113.844 114.554 -0.047 0.000 2.905 20 T HA -0.196 nan 4.350 nan 0.000 0.400 20 T C -0.921 173.755 174.700 -0.039 0.000 1.098 20 T CA 0.230 62.305 62.100 -0.041 0.000 1.095 20 T CB 0.170 69.030 68.868 -0.013 0.000 1.281 20 T HN -0.820 7.357 8.240 -0.023 0.049 0.515 21 R N 1.249 121.732 120.500 -0.028 0.000 2.080 21 R HA -0.282 nan 4.340 nan 0.000 0.362 21 R C -1.056 175.219 176.300 -0.041 0.000 1.156 21 R CA 1.087 57.170 56.100 -0.029 0.000 0.964 21 R CB -0.305 29.977 30.300 -0.029 0.000 2.865 21 R HN 0.184 8.442 8.270 -0.019 0.000 0.490 22 E N 4.979 125.156 120.200 -0.038 0.000 2.051 22 E HA -0.257 nan 4.350 nan 0.000 0.192 22 E C -0.695 175.876 176.600 -0.047 0.000 0.991 22 E CA 1.053 57.426 56.400 -0.045 0.000 0.799 22 E CB -0.227 29.453 29.700 -0.034 0.000 0.748 22 E HN 0.196 8.538 8.360 -0.029 0.000 0.449 23 K N -3.453 116.926 120.400 -0.036 0.000 3.088 23 K HA -0.273 nan 4.320 nan 0.000 0.273 23 K C -1.677 174.904 176.600 -0.032 0.000 1.111 23 K CA 0.311 56.578 56.287 -0.034 0.000 0.803 23 K CB -1.270 31.206 32.500 -0.041 0.000 1.226 23 K HN -0.274 7.958 8.250 -0.030 0.000 0.485 24 L N -1.307 119.898 121.223 -0.029 0.000 2.333 24 L HA 0.324 nan 4.340 nan 0.000 0.280 24 L C -1.516 175.344 176.870 -0.016 0.000 1.004 24 L CA -3.359 51.466 54.840 -0.025 0.000 0.820 24 L CB 1.022 43.064 42.059 -0.028 0.000 1.247 24 L HN -0.396 7.805 8.230 -0.028 0.012 0.416 25 P HA 0.027 nan 4.420 nan 0.000 0.217 25 P C -1.435 175.861 177.300 -0.007 0.000 1.151 25 P CA 1.314 64.409 63.100 -0.008 0.000 0.828 25 P CB 0.410 32.106 31.700 -0.005 0.000 0.788 26 L N -2.220 118.999 121.223 -0.006 0.000 2.592 26 L HA 0.140 nan 4.340 nan 0.000 0.258 26 L C -0.593 176.274 176.870 -0.004 0.000 0.926 26 L CA -0.811 54.026 54.840 -0.004 0.000 0.885 26 L CB 2.581 44.639 42.059 -0.002 0.000 1.380 26 L HN -0.790 7.436 8.230 -0.006 0.000 0.415 27 D N 0.894 121.291 120.400 -0.005 0.000 2.277 27 D HA -0.213 nan 4.640 nan 0.000 0.208 27 D C 0.945 177.245 176.300 -0.001 0.000 0.962 27 D CA 2.245 56.242 54.000 -0.005 0.000 0.865 27 D CB 0.042 40.838 40.800 -0.007 0.000 0.939 27 D HN 0.291 8.658 8.370 -0.005 0.000 0.510 28 Q N -0.757 119.043 119.800 0.000 0.000 2.135 28 Q HA -0.276 nan 4.340 nan 0.000 0.204 28 Q C 0.927 176.929 176.000 0.003 0.000 0.981 28 Q CA 1.887 57.691 55.803 0.002 0.000 0.856 28 Q CB -1.146 27.593 28.738 0.001 0.000 0.902 28 Q HN 0.116 8.358 8.270 -0.001 0.027 0.425 29 R N -2.196 118.307 120.500 0.005 0.000 2.091 29 R HA -0.128 nan 4.340 nan 0.000 0.238 29 R C 0.010 176.317 176.300 0.011 0.000 1.136 29 R CA 1.815 57.920 56.100 0.008 0.000 0.959 29 R CB -0.329 29.978 30.300 0.012 0.000 0.856 29 R HN 0.062 8.334 8.270 0.004 -0.000 0.437 30 D N 0.379 120.786 120.400 0.011 0.000 2.470 30 D HA 0.096 nan 4.640 nan 0.000 0.226 30 D C -0.770 175.535 176.300 0.007 0.000 1.196 30 D CA 0.433 54.440 54.000 0.013 0.000 0.979 30 D CB -1.348 39.456 40.800 0.007 0.000 1.059 30 D HN -0.345 7.912 8.370 0.007 0.117 0.515 31 E N 2.888 123.092 120.200 0.008 0.000 2.106 31 E HA -0.316 nan 4.350 nan 0.000 0.192 31 E C 2.179 178.783 176.600 0.006 0.000 0.984 31 E CA 3.164 59.568 56.400 0.006 0.000 0.806 31 E CB 0.085 29.789 29.700 0.006 0.000 0.750 31 E HN -0.072 8.246 8.360 0.009 0.047 0.458 32 R N -0.771 119.734 120.500 0.008 0.000 2.081 32 R HA -0.255 nan 4.340 nan 0.000 0.235 32 R C 2.332 178.634 176.300 0.004 0.000 1.131 32 R CA 2.701 58.806 56.100 0.008 0.000 0.960 32 R CB -0.498 29.807 30.300 0.010 0.000 0.856 32 R HN 0.256 8.515 8.270 0.010 0.017 0.436 33 L N -4.331 116.892 121.223 -0.000 0.000 2.465 33 L HA -0.152 nan 4.340 nan 0.000 0.224 33 L C 1.096 177.964 176.870 -0.003 0.000 1.145 33 L CA 1.823 56.659 54.840 -0.006 0.000 0.834 33 L CB -1.160 40.891 42.059 -0.012 0.000 0.944 33 L HN -0.072 8.020 8.230 0.002 0.139 0.451 34 K N 0.048 120.448 120.400 0.000 0.000 2.074 34 K HA -0.319 nan 4.320 nan 0.000 0.209 34 K C 1.792 178.393 176.600 0.001 0.000 1.048 34 K CA 2.796 59.084 56.287 0.001 0.000 0.926 34 K CB -1.172 31.330 32.500 0.003 0.000 0.713 34 K HN -0.243 7.820 8.250 0.002 0.188 0.444 35 G N -1.519 107.283 108.800 0.003 0.000 2.432 35 G HA2 -0.183 nan 3.960 nan 0.000 0.219 35 G HA3 -0.183 nan 3.960 nan 0.000 0.219 35 G C -0.938 173.963 174.900 0.003 0.000 1.135 35 G CA 0.499 45.602 45.100 0.004 0.000 0.767 35 G HN 0.051 8.318 8.290 0.003 0.025 0.550 36 V N -1.629 118.284 119.914 -0.000 0.000 3.093 36 V HA 0.243 nan 4.120 nan 0.000 0.320 36 V C -0.584 175.512 176.094 0.002 0.000 1.093 36 V CA -1.379 60.921 62.300 0.000 0.000 1.016 36 V CB 1.403 33.222 31.823 -0.006 0.000 1.096 36 V HN -0.579 7.567 8.190 -0.002 0.043 0.452 37 G N 2.290 111.096 108.800 0.009 0.000 2.154 37 G HA2 -0.310 nan 3.960 nan 0.000 0.186 37 G HA3 -0.310 nan 3.960 nan 0.000 0.186 37 G C 0.007 174.914 174.900 0.012 0.000 1.000 37 G CA 0.495 45.601 45.100 0.010 0.000 0.664 37 G HN 0.414 8.713 8.290 0.015 0.000 0.513 38 I N -4.021 116.555 120.570 0.011 0.000 2.233 38 I HA 0.031 nan 4.170 nan 0.000 0.243 38 I C -0.011 176.112 176.117 0.009 0.000 1.093 38 I CA 1.135 62.436 61.300 0.002 0.000 1.380 38 I CB 0.291 38.283 38.000 -0.013 0.000 1.067 38 I HN -0.299 7.917 8.210 0.011 0.000 0.413 39 L N 2.691 123.932 121.223 0.030 0.000 2.410 39 L HA 0.321 nan 4.340 nan 0.000 0.273 39 L C -2.389 174.525 176.870 0.074 0.000 1.152 39 L CA -2.216 52.662 54.840 0.062 0.000 0.855 39 L CB 0.050 42.202 42.059 0.156 0.000 1.129 39 L HN -0.731 7.750 8.230 0.040 -0.227 0.463 40 P HA 0.184 nan 4.420 nan 0.000 0.274 40 P C 0.123 177.470 177.300 0.078 0.000 1.237 40 P CA -0.341 62.795 63.100 0.061 0.000 0.793 40 P CB 0.615 32.346 31.700 0.052 0.000 0.977 41 R N 3.263 123.798 120.500 0.059 0.000 2.088 41 R HA -0.329 nan 4.340 nan 0.000 0.232 41 R C 2.536 178.883 176.300 0.079 0.000 1.136 41 R CA 3.491 59.629 56.100 0.063 0.000 0.926 41 R CB -0.885 29.438 30.300 0.039 0.000 0.837 41 R HN 0.542 8.838 8.270 0.044 0.000 0.429 42 G N -1.480 107.359 108.800 0.065 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 -0.044 174.899 174.900 0.071 0.000 1.135 42 G CA 0.544 45.681 45.100 0.063 0.000 0.767 42 G HN 0.315 8.639 8.290 0.056 0.000 0.550 43 T N -0.897 113.709 114.554 0.088 0.000 2.906 43 T HA -0.212 nan 4.350 nan 0.000 0.320 43 T C -0.262 174.504 174.700 0.110 0.000 1.088 43 T CA -0.364 61.795 62.100 0.100 0.000 1.120 43 T CB 0.866 69.809 68.868 0.126 0.000 1.000 43 T HN -0.880 7.363 8.240 0.090 0.050 0.550 44 L N 0.581 121.850 121.223 0.078 0.000 2.397 44 L HA 0.169 nan 4.340 nan 0.000 0.271 44 L C 0.091 177.007 176.870 0.076 0.000 1.148 44 L CA -0.146 54.733 54.840 0.064 0.000 0.825 44 L CB 0.486 42.549 42.059 0.007 0.000 1.117 44 L HN 0.077 8.348 8.230 0.068 0.000 0.456 45 F N 3.561 123.489 119.950 -0.036 0.000 2.404 45 F HA 0.065 nan 4.527 nan 0.000 0.339 45 F C -1.101 174.571 175.800 -0.213 0.000 1.105 45 F CA -0.990 56.948 58.000 -0.104 0.000 1.087 45 F CB 2.322 41.345 39.000 0.039 0.000 1.143 45 F HN -0.136 8.320 8.300 0.260 0.000 0.491 46 S N 5.612 120.489 115.700 -1.373 0.000 2.437 46 S HA 0.159 nan 4.470 nan 0.000 0.305 46 S C 0.153 174.154 174.600 -0.998 0.000 1.109 46 S CA -1.354 56.322 58.200 -0.873 0.000 1.099 46 S CB 1.506 64.302 63.200 -0.674 0.000 1.004 46 S HN -0.126 6.848 8.310 -2.227 0.000 0.475 47 C N 7.009 125.974 119.300 -0.558 0.000 2.450 47 C HA 0.066 nan 4.460 nan 0.000 0.279 47 C C 0.667 175.180 174.990 -0.795 0.000 1.335 47 C CA 1.473 60.122 59.018 -0.614 0.000 1.749 47 C CB -0.317 26.994 27.740 -0.715 0.000 1.963 47 C HN 0.153 8.177 8.230 -0.343 0.000 0.501 48 F N -4.786 115.019 119.950 -0.242 0.000 2.219 48 F HA -0.074 nan 4.527 nan 0.000 0.294 48 F C -0.066 175.552 175.800 -0.302 0.000 1.086 48 F CA 1.744 59.609 58.000 -0.225 0.000 1.330 48 F CB 0.090 38.976 39.000 -0.190 0.000 1.047 48 F HN -0.930 7.125 8.300 -0.365 0.026 0.495 49 H N 0.335 119.272 119.070 -0.222 0.000 2.897 49 H HA -0.076 nan 4.556 nan 0.000 0.347 49 H C 0.651 175.843 175.328 -0.227 0.000 1.068 49 H CA 0.223 56.109 56.048 -0.269 0.000 1.426 49 H CB 2.032 31.790 29.762 -0.007 0.000 1.410 49 H HN -0.699 7.544 8.280 -0.061 0.000 0.597 50 A N 6.843 129.281 122.820 -0.636 0.000 1.877 50 A HA -0.294 nan 4.320 nan 0.000 0.216 50 A C 1.632 179.199 177.584 -0.028 0.000 1.186 50 A CA 3.595 55.452 52.037 -0.300 0.000 0.620 50 A CB -0.090 18.732 19.000 -0.298 0.000 0.822 50 A HN 0.706 8.067 8.150 -1.316 0.000 0.443 51 R N -2.331 118.286 120.500 0.195 0.000 2.096 51 R HA -0.339 nan 4.340 nan 0.000 0.235 51 R C 2.368 178.674 176.300 0.010 0.000 1.127 51 R CA 3.037 59.206 56.100 0.115 0.000 0.968 51 R CB -0.908 29.441 30.300 0.080 0.000 0.861 51 R HN -0.550 7.891 8.270 0.284 0.000 0.440 52 H N -0.060 119.044 119.070 0.057 0.000 2.353 52 H HA -0.171 nan 4.556 nan 0.000 0.300 52 H C 2.582 177.926 175.328 0.026 0.000 1.090 52 H CA 3.761 59.770 56.048 -0.065 0.000 1.327 52 H CB 0.109 29.545 29.762 -0.543 0.000 1.383 52 H HN -0.639 7.801 8.280 0.300 0.021 0.508 53 L N -1.326 119.940 121.223 0.071 0.000 2.083 53 L HA -0.367 nan 4.340 nan 0.000 0.209 53 L C 1.899 178.819 176.870 0.083 0.000 1.083 53 L CA 2.767 57.638 54.840 0.052 0.000 0.752 53 L CB -0.631 41.412 42.059 -0.028 0.000 0.899 53 L HN -0.201 7.954 8.230 0.041 0.100 0.433 54 A N -0.900 121.955 122.820 0.059 0.000 1.902 54 A HA -0.386 nan 4.320 nan 0.000 0.217 54 A C 2.100 179.716 177.584 0.054 0.000 1.181 54 A CA 3.360 55.428 52.037 0.052 0.000 0.623 54 A CB -1.110 17.910 19.000 0.033 0.000 0.818 54 A HN 0.297 8.380 8.150 0.044 0.094 0.443 55 E N -1.284 118.951 120.200 0.059 0.000 2.077 55 E HA -0.405 nan 4.350 nan 0.000 0.193 55 E C 2.361 178.958 176.600 -0.004 0.000 0.989 55 E CA 2.843 59.268 56.400 0.042 0.000 0.800 55 E CB -0.101 29.645 29.700 0.077 0.000 0.746 55 E HN -0.477 7.924 8.360 0.069 0.000 0.452 56 A N -1.335 121.487 122.820 0.004 0.000 1.902 56 A HA -0.261 nan 4.320 nan 0.000 0.217 56 A C 2.070 179.409 177.584 -0.409 0.000 1.181 56 A CA 3.366 55.251 52.037 -0.253 0.000 0.623 56 A CB -0.866 18.000 19.000 -0.224 0.000 0.818 56 A HN -0.062 8.085 8.150 0.121 0.077 0.443 57 T N -0.243 114.360 114.554 0.082 0.000 2.746 57 T HA -0.309 nan 4.350 nan 0.000 0.267 57 T C 1.765 176.596 174.700 0.220 0.000 1.039 57 T CA 4.518 66.866 62.100 0.413 0.000 1.142 57 T CB -0.478 68.549 68.868 0.264 0.000 0.866 57 T HN 0.123 8.350 8.240 0.113 0.081 0.444 58 E N 1.627 121.865 120.200 0.064 0.000 2.077 58 E HA -0.270 nan 4.350 nan 0.000 0.193 58 E C 1.942 178.553 176.600 0.018 0.000 0.989 58 E CA 2.810 59.235 56.400 0.041 0.000 0.800 58 E CB -0.574 29.136 29.700 0.016 0.000 0.746 58 E HN -0.354 7.944 8.360 0.043 0.087 0.452 59 L N -1.322 119.855 121.223 -0.077 0.000 2.046 59 L HA -0.391 nan 4.340 nan 0.000 0.208 59 L C 2.308 179.152 176.870 -0.043 0.000 1.077 59 L CA 3.209 57.984 54.840 -0.108 0.000 0.747 59 L CB -0.266 41.661 42.059 -0.219 0.000 0.896 59 L HN -0.202 7.854 8.230 -0.126 0.098 0.432 60 Y N -3.099 117.256 120.300 0.092 0.000 2.181 60 Y HA -0.445 nan 4.550 nan 0.000 0.288 60 Y C 2.290 178.355 175.900 0.275 0.000 1.146 60 Y CA 4.161 62.375 58.100 0.190 0.000 1.164 60 Y CB -1.168 37.496 38.460 0.340 0.000 0.982 60 Y HN -0.283 7.763 8.280 -0.238 0.091 0.515 61 V N -4.386 115.754 119.914 0.377 0.000 2.332 61 V HA -0.442 nan 4.120 nan 0.000 0.248 61 V C 1.574 177.793 176.094 0.209 0.000 1.055 61 V CA 3.562 66.022 62.300 0.266 0.000 1.038 61 V CB -1.617 30.274 31.823 0.114 0.000 0.651 61 V HN 0.113 8.490 8.190 0.322 0.006 0.450 62 A N 0.287 123.181 122.820 0.124 0.000 1.902 62 A HA -0.278 nan 4.320 nan 0.000 0.217 62 A C 1.911 179.533 177.584 0.063 0.000 1.181 62 A CA 3.066 55.143 52.037 0.066 0.000 0.623 62 A CB -0.907 18.101 19.000 0.012 0.000 0.818 62 A HN -0.582 7.530 8.150 0.108 0.103 0.443 63 L N -2.351 118.902 121.223 0.049 0.000 2.046 63 L HA -0.400 nan 4.340 nan 0.000 0.208 63 L C 2.227 179.144 176.870 0.078 0.000 1.077 63 L CA 3.179 58.027 54.840 0.013 0.000 0.747 63 L CB -0.691 41.362 42.059 -0.010 0.000 0.896 63 L HN -0.479 7.705 8.230 0.070 0.089 0.432 64 Y N -2.664 117.741 120.300 0.175 0.000 2.181 64 Y HA -0.414 nan 4.550 nan 0.000 0.288 64 Y C 2.923 178.882 175.900 0.099 0.000 1.146 64 Y CA 3.356 61.535 58.100 0.132 0.000 1.164 64 Y CB -0.443 38.048 38.460 0.051 0.000 0.982 64 Y HN 0.330 8.588 8.280 0.275 0.187 0.515 65 G N -2.457 106.475 108.800 0.219 0.000 2.448 65 G HA2 -0.315 nan 3.960 nan 0.000 0.219 65 G HA3 -0.315 nan 3.960 nan 0.000 0.219 65 G C -0.440 174.525 174.900 0.110 0.000 1.127 65 G CA 0.188 45.368 45.100 0.134 0.000 0.766 65 G HN -0.052 8.165 8.290 0.225 0.208 0.552 66 A N 1.002 123.891 122.820 0.116 0.000 2.580 66 A HA -0.169 nan 4.320 nan 0.000 0.244 66 A C -0.186 177.461 177.584 0.104 0.000 1.045 66 A CA 0.121 52.219 52.037 0.102 0.000 0.761 66 A CB 0.094 19.178 19.000 0.140 0.000 0.962 66 A HN -0.641 7.434 8.150 0.129 0.152 0.512 67 K N 3.485 123.931 120.400 0.077 0.000 2.026 67 K HA -0.259 nan 4.320 nan 0.000 0.208 67 K C -0.702 175.948 176.600 0.084 0.000 1.048 67 K CA 2.330 58.659 56.287 0.070 0.000 0.929 67 K CB 0.379 32.908 32.500 0.049 0.000 0.713 67 K HN 0.347 8.806 8.250 0.062 -0.171 0.439 68 D N -5.421 115.036 120.400 0.095 0.000 2.636 68 D HA -0.038 nan 4.640 nan 0.000 0.275 68 D C -0.264 176.133 176.300 0.161 0.000 1.130 68 D CA -1.701 52.373 54.000 0.123 0.000 1.031 68 D CB 0.784 41.649 40.800 0.109 0.000 1.451 68 D HN -0.526 7.896 8.370 0.086 0.000 0.505 69 F N -0.032 119.958 119.950 0.067 0.000 2.134 69 F HA -0.285 nan 4.527 nan 0.000 0.299 69 F C 0.691 176.593 175.800 0.170 0.000 1.097 69 F CA 3.740 61.787 58.000 0.080 0.000 1.264 69 F CB 0.377 39.378 39.000 0.000 0.000 1.001 69 F HN 0.116 8.567 8.300 0.293 0.024 0.479 70 N N -2.257 116.562 118.700 0.198 0.000 2.120 70 N HA -0.323 nan 4.740 nan 0.000 0.188 70 N C 2.439 177.982 175.510 0.056 0.000 1.024 70 N CA 3.284 56.410 53.050 0.127 0.000 0.852 70 N CB -1.250 37.308 38.487 0.118 0.000 1.003 70 N HN 0.074 8.577 8.380 0.230 0.015 0.424 71 D N 0.463 120.897 120.400 0.056 0.000 2.144 71 D HA -0.230 nan 4.640 nan 0.000 0.199 71 D C 1.767 178.080 176.300 0.020 0.000 0.984 71 D CA 2.647 56.673 54.000 0.042 0.000 0.834 71 D CB -0.146 40.678 40.800 0.040 0.000 0.955 71 D HN -0.049 8.542 8.370 0.078 -0.174 0.465 72 F N 1.575 121.409 119.950 -0.193 0.000 2.102 72 F HA -0.337 nan 4.527 nan 0.000 0.298 72 F C 1.698 177.315 175.800 -0.305 0.000 1.105 72 F CA 3.401 61.223 58.000 -0.297 0.000 1.239 72 F CB 0.292 38.966 39.000 -0.543 0.000 0.991 72 F HN -0.176 8.092 8.300 0.083 0.081 0.474 73 I N -2.206 118.246 120.570 -0.198 0.000 2.226 73 I HA -0.556 nan 4.170 nan 0.000 0.245 73 I C 1.949 177.973 176.117 -0.155 0.000 1.100 73 I CA 2.591 63.790 61.300 -0.168 0.000 1.374 73 I CB -1.742 36.244 38.000 -0.023 0.000 1.057 73 I HN 0.205 8.231 8.210 -0.174 0.080 0.413 74 H N 1.467 120.450 119.070 -0.146 0.000 2.293 74 H HA -0.311 nan 4.556 nan 0.000 0.300 74 H C 2.272 177.516 175.328 -0.141 0.000 1.082 74 H CA 4.547 60.530 56.048 -0.108 0.000 1.308 74 H CB 0.341 30.062 29.762 -0.068 0.000 1.375 74 H HN -0.358 7.872 8.280 0.050 0.080 0.495 75 L N -1.540 119.632 121.223 -0.085 0.000 2.083 75 L HA -0.287 nan 4.340 nan 0.000 0.209 75 L C 1.641 178.370 176.870 -0.236 0.000 1.083 75 L CA 3.113 57.871 54.840 -0.137 0.000 0.752 75 L CB -0.699 41.297 42.059 -0.105 0.000 0.899 75 L HN -0.098 8.105 8.230 -0.045 0.000 0.433 76 C N -0.231 118.862 119.300 -0.344 0.000 2.413 76 C HA -0.487 nan 4.460 nan 0.000 0.276 76 C C 1.668 176.559 174.990 -0.166 0.000 1.236 76 C CA 4.157 63.019 59.018 -0.261 0.000 1.735 76 C CB -1.977 25.494 27.740 -0.448 0.000 2.031 76 C HN -0.184 7.768 8.230 -0.438 0.015 0.474 77 E N -0.571 119.486 120.200 -0.238 0.000 2.085 77 E HA -0.505 nan 4.350 nan 0.000 0.194 77 E C 2.411 178.849 176.600 -0.269 0.000 0.994 77 E CA 3.213 59.469 56.400 -0.240 0.000 0.801 77 E CB -0.289 29.268 29.700 -0.238 0.000 0.743 77 E HN 0.148 8.157 8.360 -0.269 0.189 0.453 78 Q N -0.855 118.756 119.800 -0.315 0.000 2.083 78 Q HA -0.217 nan 4.340 nan 0.000 0.198 78 Q C 2.716 178.610 176.000 -0.177 0.000 0.969 78 Q CA 2.671 58.322 55.803 -0.254 0.000 0.838 78 Q CB 0.108 28.687 28.738 -0.264 0.000 0.900 78 Q HN -0.249 7.716 8.270 -0.390 0.071 0.436 79 A N 0.775 123.508 122.820 -0.145 0.000 1.933 79 A HA -0.278 nan 4.320 nan 0.000 0.218 79 A C 1.486 179.000 177.584 -0.117 0.000 1.175 79 A CA 2.992 54.980 52.037 -0.081 0.000 0.628 79 A CB -0.870 18.122 19.000 -0.013 0.000 0.814 79 A HN 0.627 8.487 8.150 -0.161 0.193 0.444 80 R N -2.983 117.354 120.500 -0.273 0.000 2.152 80 R HA -0.364 nan 4.340 nan 0.000 0.232 80 R C 1.587 177.668 176.300 -0.365 0.000 1.117 80 R CA 3.045 58.768 56.100 -0.628 0.000 0.981 80 R CB -0.133 29.469 30.300 -1.163 0.000 0.870 80 R HN -0.183 7.922 8.270 -0.245 0.018 0.451 81 Q N -2.881 116.775 119.800 -0.239 0.000 2.050 81 Q HA -0.257 nan 4.340 nan 0.000 0.202 81 Q C 1.492 177.425 176.000 -0.111 0.000 0.980 81 Q CA 2.376 58.081 55.803 -0.163 0.000 0.840 81 Q CB 0.141 28.803 28.738 -0.126 0.000 0.898 81 Q HN -0.611 7.372 8.270 -0.225 0.152 0.424 82 I N -3.659 116.858 120.570 -0.087 0.000 2.339 82 I HA -0.142 nan 4.170 nan 0.000 0.245 82 I C 0.226 176.327 176.117 -0.027 0.000 1.096 82 I CA 0.995 62.266 61.300 -0.048 0.000 1.408 82 I CB 1.390 39.369 38.000 -0.035 0.000 1.092 82 I HN -0.717 7.434 8.210 -0.098 0.000 0.423 83 V N -4.425 115.476 119.914 -0.022 0.000 3.185 83 V HA 0.062 nan 4.120 nan 0.000 0.305 83 V C -1.041 175.075 176.094 0.036 0.000 1.090 83 V CA -1.879 60.432 62.300 0.018 0.000 1.107 83 V CB -0.064 31.785 31.823 0.043 0.000 1.061 83 V HN -0.457 7.707 8.190 -0.044 0.000 0.480 84 N N 0.819 119.561 118.700 0.070 0.000 2.454 84 N HA -0.175 nan 4.740 nan 0.000 0.254 84 N C 1.282 176.856 175.510 0.107 0.000 1.228 84 N CA 0.203 53.311 53.050 0.097 0.000 0.900 84 N CB 1.119 39.701 38.487 0.158 0.000 1.089 84 N HN -0.060 8.366 8.380 0.075 0.000 0.449 85 E N 3.146 123.422 120.200 0.127 0.000 2.106 85 E HA -0.322 nan 4.350 nan 0.000 0.192 85 E C 1.737 178.492 176.600 0.259 0.000 0.984 85 E CA 3.015 59.529 56.400 0.190 0.000 0.806 85 E CB -0.870 28.954 29.700 0.207 0.000 0.750 85 E HN 0.246 8.677 8.360 0.120 0.000 0.458 86 G N -0.309 108.593 108.800 0.169 0.000 2.418 86 G HA2 -0.304 nan 3.960 nan 0.000 0.217 86 G HA3 -0.304 nan 3.960 nan 0.000 0.217 86 G C 1.129 175.945 174.900 -0.140 0.000 1.158 86 G CA 1.586 46.757 45.100 0.117 0.000 0.771 86 G HN -0.320 8.122 8.290 0.161 -0.055 0.545 87 M N 2.713 122.050 119.600 -0.438 0.000 2.159 87 M HA -0.356 nan 4.480 nan 0.000 0.263 87 M C 0.866 176.998 176.300 -0.280 0.000 1.063 87 M CA 3.302 58.100 55.300 -0.838 0.000 1.110 87 M CB 0.061 32.372 32.600 -0.481 0.000 1.374 87 M HN 0.098 8.626 8.290 -0.169 -0.339 0.411 88 F N -0.584 119.275 119.950 -0.151 0.000 2.102 88 F HA -0.405 nan 4.527 nan 0.000 0.298 88 F C 1.115 176.934 175.800 0.031 0.000 1.105 88 F CA 4.204 62.159 58.000 -0.074 0.000 1.239 88 F CB -0.077 38.892 39.000 -0.053 0.000 0.991 88 F HN -0.370 7.920 8.300 0.139 0.093 0.474 89 V N -0.289 119.743 119.914 0.197 0.000 2.407 89 V HA -0.468 nan 4.120 nan 0.000 0.248 89 V C 1.022 177.267 176.094 0.253 0.000 1.055 89 V CA 4.035 66.506 62.300 0.286 0.000 1.049 89 V CB -0.998 31.202 31.823 0.628 0.000 0.662 89 V HN 0.055 8.482 8.190 0.396 0.000 0.455 90 Y N 0.537 120.891 120.300 0.091 0.000 2.145 90 Y HA -0.476 nan 4.550 nan 0.000 0.286 90 Y C 1.340 177.248 175.900 0.013 0.000 1.145 90 Y CA 3.772 61.895 58.100 0.039 0.000 1.148 90 Y CB -0.318 38.026 38.460 -0.193 0.000 0.981 90 Y HN -0.430 7.869 8.280 0.202 0.103 0.507 91 A N -1.688 121.143 122.820 0.019 0.000 1.898 91 A HA -0.367 nan 4.320 nan 0.000 0.216 91 A C 2.124 179.724 177.584 0.026 0.000 1.181 91 A CA 3.144 55.069 52.037 -0.185 0.000 0.620 91 A CB -0.650 18.082 19.000 -0.446 0.000 0.819 91 A HN 0.192 8.272 8.150 -0.117 0.000 0.442 92 V N -4.403 115.379 119.914 -0.220 0.000 2.358 92 V HA -0.372 nan 4.120 nan 0.000 0.246 92 V C 1.850 178.056 176.094 0.186 0.000 1.047 92 V CA 3.891 66.102 62.300 -0.148 0.000 1.035 92 V CB -1.323 30.162 31.823 -0.564 0.000 0.658 92 V HN 0.147 8.074 8.190 -0.438 0.000 0.452 93 S N 0.311 116.164 115.700 0.255 0.000 2.382 93 S HA -0.269 nan 4.470 nan 0.000 0.228 93 S C 2.018 176.770 174.600 0.254 0.000 1.027 93 S CA 3.521 61.901 58.200 0.300 0.000 0.991 93 S CB -0.438 62.939 63.200 0.296 0.000 0.823 93 S HN -0.289 8.139 8.310 0.197 0.000 0.469 94 V N 1.368 121.485 119.914 0.337 0.000 2.343 94 V HA -0.380 nan 4.120 nan 0.000 0.247 94 V C 1.858 178.252 176.094 0.500 0.000 1.051 94 V CA 4.047 66.626 62.300 0.466 0.000 1.036 94 V CB -1.049 31.129 31.823 0.593 0.000 0.654 94 V HN -0.426 7.981 8.190 0.363 0.000 0.451 95 A N -0.614 122.386 122.820 0.300 0.000 1.902 95 A HA -0.290 nan 4.320 nan 0.000 0.217 95 A C 1.851 179.430 177.584 -0.009 0.000 1.181 95 A CA 3.597 55.593 52.037 -0.068 0.000 0.623 95 A CB -0.840 18.193 19.000 0.055 0.000 0.818 95 A HN -0.225 8.053 8.150 0.337 0.074 0.443 96 V N -0.369 119.598 119.914 0.090 0.000 2.407 96 V HA -0.398 nan 4.120 nan 0.000 0.248 96 V C 1.336 177.431 176.094 0.001 0.000 1.055 96 V CA 3.761 66.076 62.300 0.025 0.000 1.049 96 V CB -0.828 31.064 31.823 0.115 0.000 0.662 96 V HN 0.020 8.244 8.190 0.187 0.078 0.455 97 L N -2.271 118.965 121.223 0.022 0.000 2.005 97 L HA -0.372 nan 4.340 nan 0.000 0.207 97 L C 1.804 178.541 176.870 -0.221 0.000 1.072 97 L CA 3.201 57.952 54.840 -0.148 0.000 0.744 97 L CB 0.163 42.057 42.059 -0.275 0.000 0.895 97 L HN -0.302 7.910 8.230 0.107 0.083 0.433 98 H N -4.781 114.400 119.070 0.185 0.000 2.384 98 H HA 0.013 nan 4.556 nan 0.000 0.300 98 H C 1.137 176.606 175.328 0.235 0.000 1.057 98 H CA 2.544 58.755 56.048 0.271 0.000 1.370 98 H CB 0.677 30.756 29.762 0.528 0.000 1.417 98 H HN -0.494 7.986 8.280 0.332 0.000 0.527 99 R N 1.146 121.805 120.500 0.264 0.000 2.351 99 R HA -0.119 nan 4.340 nan 0.000 0.318 99 R C 0.697 177.031 176.300 0.057 0.000 1.055 99 R CA -0.004 56.182 56.100 0.143 0.000 0.968 99 R CB 0.163 30.419 30.300 -0.074 0.000 0.974 99 R HN 0.040 8.402 8.270 0.153 0.000 0.439 100 E N 5.296 125.544 120.200 0.081 0.000 2.097 100 E HA -0.397 nan 4.350 nan 0.000 0.196 100 E C 1.194 177.792 176.600 -0.003 0.000 1.000 100 E CA 3.536 59.959 56.400 0.039 0.000 0.804 100 E CB -0.572 29.158 29.700 0.050 0.000 0.740 100 E HN 0.435 8.870 8.360 0.126 0.000 0.454 101 D N -0.392 120.020 120.400 0.020 0.000 2.133 101 D HA -0.229 nan 4.640 nan 0.000 0.195 101 D C 1.666 177.894 176.300 -0.119 0.000 0.997 101 D CA 2.800 56.811 54.000 0.019 0.000 0.840 101 D CB -0.485 40.428 40.800 0.189 0.000 0.947 101 D HN 0.001 8.384 8.370 0.050 0.017 0.452 102 C N -0.381 118.862 119.300 -0.094 0.000 2.420 102 C HA -0.090 nan 4.460 nan 0.000 0.373 102 C C 0.507 175.399 174.990 -0.164 0.000 1.356 102 C CA -1.070 57.833 59.018 -0.191 0.000 1.531 102 C CB -2.485 25.188 27.740 -0.113 0.000 1.613 102 C HN -0.142 7.985 8.230 -0.030 0.085 0.597 103 K N 3.824 124.137 120.400 -0.144 0.000 3.256 103 K HA -0.142 nan 4.320 nan 0.000 0.285 103 K C -0.562 175.944 176.600 -0.156 0.000 1.086 103 K CA -0.186 56.030 56.287 -0.119 0.000 1.125 103 K CB -2.627 29.821 32.500 -0.086 0.000 1.292 103 K HN 0.059 8.058 8.250 -0.129 0.173 0.312 104 G N -2.152 106.533 108.800 -0.192 0.000 3.941 104 G HA2 0.082 nan 3.960 nan 0.000 0.222 104 G HA3 0.082 nan 3.960 nan 0.000 0.222 104 G C -1.497 173.265 174.900 -0.230 0.000 1.118 104 G CA 0.208 45.177 45.100 -0.218 0.000 0.880 104 G HN 0.067 8.187 8.290 -0.182 0.062 0.546 105 I N 0.618 121.049 120.570 -0.231 0.000 2.651 105 I HA 0.094 nan 4.170 nan 0.000 0.287 105 I C -1.732 174.221 176.117 -0.272 0.000 1.244 105 I CA -0.830 60.322 61.300 -0.247 0.000 1.061 105 I CB 2.675 40.554 38.000 -0.201 0.000 1.286 105 I HN -0.618 7.473 8.210 -0.198 0.000 0.434 106 T N 5.600 119.920 114.554 -0.390 0.000 2.847 106 T HA 0.167 nan 4.350 nan 0.000 0.279 106 T C -1.192 173.348 174.700 -0.267 0.000 0.984 106 T CA -0.831 61.034 62.100 -0.391 0.000 0.988 106 T CB 1.043 69.579 68.868 -0.555 0.000 1.040 106 T HN 0.069 8.249 8.240 -0.371 -0.163 0.528 107 V N 2.354 122.121 119.914 -0.245 0.000 2.630 107 V HA 0.332 nan 4.120 nan 0.000 0.305 107 V C -1.901 173.902 176.094 -0.486 0.000 1.046 107 V CA -3.446 58.620 62.300 -0.389 0.000 0.934 107 V CB 0.540 32.199 31.823 -0.274 0.000 1.003 107 V HN 0.426 8.509 8.190 -0.178 0.000 0.451 108 P HA 0.159 nan 4.420 nan 0.000 0.269 108 P C -2.570 174.548 177.300 -0.304 0.000 1.215 108 P CA -1.542 61.219 63.100 -0.564 0.000 0.780 108 P CB -0.080 31.263 31.700 -0.596 0.000 0.898 109 P HA 0.066 nan 4.420 nan 0.000 0.268 109 P C 0.980 178.221 177.300 -0.098 0.000 1.204 109 P CA -0.424 62.630 63.100 -0.078 0.000 0.768 109 P CB 0.598 32.260 31.700 -0.065 0.000 0.842 110 I N -0.713 119.799 120.570 -0.098 0.000 2.252 110 I HA -0.458 nan 4.170 nan 0.000 0.245 110 I C 1.323 177.366 176.117 -0.124 0.000 1.102 110 I CA 3.926 65.144 61.300 -0.138 0.000 1.385 110 I CB -0.129 37.679 38.000 -0.320 0.000 1.064 110 I HN 0.320 8.526 8.210 -0.007 0.000 0.414 111 Q N 0.714 120.161 119.800 -0.588 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.306 177.050 176.000 -0.426 0.000 0.978 111 Q CA 3.614 58.610 55.803 -1.346 0.000 0.844 111 Q CB -1.171 26.718 28.738 -1.415 0.000 0.898 111 Q HN 0.298 8.284 8.270 -0.474 0.000 0.426 112 E N -2.760 117.301 120.200 -0.233 0.000 2.107 112 E HA -0.208 nan 4.350 nan 0.000 0.191 112 E C 1.818 178.387 176.600 -0.052 0.000 0.982 112 E CA 2.273 58.626 56.400 -0.080 0.000 0.809 112 E CB -0.035 29.652 29.700 -0.020 0.000 0.756 112 E HN 0.014 8.133 8.360 -0.239 0.097 0.459 113 V N -4.675 115.188 119.914 -0.084 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.656 176.469 176.094 -0.467 0.000 1.045 113 V CA 2.233 64.389 62.300 -0.241 0.000 1.024 113 V CB 0.083 31.743 31.823 -0.272 0.000 0.651 113 V HN -0.126 7.806 8.190 -0.079 0.211 0.449 114 F N -1.243 118.759 119.950 0.085 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.123 174.822 175.800 0.241 0.000 1.180 114 F CA -3.087 54.997 58.000 0.140 0.000 1.209 114 F CB 0.437 39.514 39.000 0.129 0.000 1.440 114 F HN -0.053 8.239 8.300 0.163 0.106 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.197 177.689 177.300 0.319 0.000 1.148 115 P CA 2.566 65.822 63.100 0.259 0.000 0.803 115 P CB -0.147 31.629 31.700 0.127 0.000 0.782 116 D N -3.571 117.000 120.400 0.284 0.000 2.178 116 D HA -0.275 nan 4.640 nan 0.000 0.202 116 D C 1.514 177.945 176.300 0.219 0.000 0.974 116 D CA 2.702 56.840 54.000 0.231 0.000 0.841 116 D CB -1.035 39.889 40.800 0.208 0.000 0.953 116 D HN 0.496 8.998 8.370 0.311 0.055 0.478 117 R N -2.213 118.420 120.500 0.221 0.000 2.115 117 R HA -0.198 nan 4.340 nan 0.000 0.226 117 R C 1.470 177.622 176.300 -0.246 0.000 1.100 117 R CA 2.159 58.250 56.100 -0.016 0.000 0.980 117 R CB -0.733 29.467 30.300 -0.167 0.000 0.875 117 R HN -0.491 7.963 8.270 0.335 0.018 0.445 118 F N -2.541 117.436 119.950 0.046 0.000 2.234 118 F HA -0.072 nan 4.527 nan 0.000 0.296 118 F C -0.267 175.532 175.800 -0.000 0.000 1.089 118 F CA 2.242 60.235 58.000 -0.011 0.000 1.343 118 F CB 0.751 39.722 39.000 -0.048 0.000 1.040 118 F HN -0.806 7.634 8.300 0.460 0.136 0.498 119 V N -7.286 112.752 119.914 0.206 0.000 2.815 119 V HA 0.465 nan 4.120 nan 0.000 0.314 119 V C -2.840 173.337 176.094 0.139 0.000 1.064 119 V CA -4.550 57.844 62.300 0.158 0.000 0.952 119 V CB 0.227 32.149 31.823 0.165 0.000 1.020 119 V HN -0.563 7.767 8.190 0.234 0.000 0.439 120 P HA 0.035 nan 4.420 nan 0.000 0.269 120 P C -0.277 177.099 177.300 0.125 0.000 1.209 120 P CA -0.319 62.859 63.100 0.130 0.000 0.776 120 P CB 0.534 32.297 31.700 0.105 0.000 0.876 121 A N 4.333 127.236 122.820 0.138 0.000 1.929 121 A HA -0.475 nan 4.320 nan 0.000 0.221 121 A C 2.013 179.655 177.584 0.096 0.000 1.211 121 A CA 3.615 55.724 52.037 0.121 0.000 0.657 121 A CB -0.634 18.448 19.000 0.137 0.000 0.827 121 A HN 0.532 8.782 8.150 0.166 0.000 0.462 122 E N -3.173 117.081 120.200 0.090 0.000 2.033 122 E HA -0.443 nan 4.350 nan 0.000 0.199 122 E C 2.359 179.001 176.600 0.071 0.000 1.011 122 E CA 3.242 59.685 56.400 0.071 0.000 0.815 122 E CB -0.727 29.007 29.700 0.057 0.000 0.755 122 E HN 0.296 8.716 8.360 0.099 0.000 0.451 123 T N 1.073 115.675 114.554 0.080 0.000 2.995 123 T HA -0.056 nan 4.350 nan 0.000 0.269 123 T C 2.423 177.172 174.700 0.081 0.000 1.091 123 T CA 2.760 64.909 62.100 0.081 0.000 1.128 123 T CB -0.722 68.202 68.868 0.094 0.000 0.891 123 T HN -0.522 7.770 8.240 0.087 0.000 0.492 124 I N 2.457 123.080 120.570 0.089 0.000 2.179 124 I HA -0.622 nan 4.170 nan 0.000 0.242 124 I C 1.153 177.310 176.117 0.067 0.000 1.088 124 I CA 4.433 65.783 61.300 0.084 0.000 1.357 124 I CB -0.394 37.663 38.000 0.094 0.000 1.051 124 I HN 0.156 8.424 8.210 0.096 0.000 0.409 125 N N -0.558 118.180 118.700 0.064 0.000 2.142 125 N HA -0.262 nan 4.740 nan 0.000 0.186 125 N C 2.352 177.891 175.510 0.047 0.000 1.023 125 N CA 3.388 56.469 53.050 0.052 0.000 0.852 125 N CB 0.042 38.559 38.487 0.051 0.000 0.998 125 N HN -0.142 8.199 8.380 0.071 0.082 0.424 126 R N -0.814 119.716 120.500 0.051 0.000 2.073 126 R HA -0.319 nan 4.340 nan 0.000 0.234 126 R C 1.939 178.266 176.300 0.046 0.000 1.134 126 R CA 3.518 59.647 56.100 0.047 0.000 0.952 126 R CB -0.266 30.063 30.300 0.048 0.000 0.850 126 R HN 0.406 8.710 8.270 0.056 0.000 0.433 127 A N -0.998 121.851 122.820 0.049 0.000 1.902 127 A HA -0.272 nan 4.320 nan 0.000 0.217 127 A C 2.272 179.880 177.584 0.041 0.000 1.181 127 A CA 3.095 55.159 52.037 0.045 0.000 0.623 127 A CB -0.846 18.183 19.000 0.048 0.000 0.818 127 A HN -0.388 7.795 8.150 0.054 0.000 0.443 128 N N -1.868 116.856 118.700 0.039 0.000 2.120 128 N HA -0.313 nan 4.740 nan 0.000 0.188 128 N C 2.192 177.718 175.510 0.025 0.000 1.024 128 N CA 2.827 55.895 53.050 0.030 0.000 0.852 128 N CB -0.502 38.002 38.487 0.029 0.000 1.003 128 N HN -0.152 8.255 8.380 0.044 0.000 0.424 129 K N 1.176 121.594 120.400 0.030 0.000 2.057 129 K HA -0.347 nan 4.320 nan 0.000 0.207 129 K C 2.134 178.755 176.600 0.035 0.000 1.049 129 K CA 3.476 59.780 56.287 0.028 0.000 0.931 129 K CB 0.030 32.549 32.500 0.032 0.000 0.714 129 K HN 0.289 8.352 8.250 0.035 0.208 0.440 130 E N -1.240 118.988 120.200 0.047 0.000 2.153 130 E HA -0.351 nan 4.350 nan 0.000 0.194 130 E C 2.301 178.937 176.600 0.060 0.000 0.988 130 E CA 2.804 59.243 56.400 0.064 0.000 0.811 130 E CB -0.238 29.496 29.700 0.057 0.000 0.746 130 E HN 0.255 8.452 8.360 0.044 0.190 0.466 131 A N -1.110 121.735 122.820 0.041 0.000 1.877 131 A HA -0.221 nan 4.320 nan 0.000 0.216 131 A C 1.524 179.121 177.584 0.021 0.000 1.186 131 A CA 3.186 55.244 52.037 0.034 0.000 0.620 131 A CB -0.475 18.538 19.000 0.021 0.000 0.822 131 A HN -0.117 7.969 8.150 0.038 0.087 0.443 132 S N -1.972 113.732 115.700 0.007 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.650 176.229 174.600 -0.035 0.000 1.027 132 S CA 2.081 60.272 58.200 -0.015 0.000 0.965 132 S CB 0.357 63.545 63.200 -0.020 0.000 0.812 132 S HN -0.414 7.902 8.310 0.010 0.000 0.482 133 N N 1.186 119.875 118.700 -0.017 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.185 175.546 175.510 -0.248 0.000 1.044 133 N CA 2.542 55.542 53.050 -0.082 0.000 0.851 133 N CB 0.592 39.120 38.487 0.069 0.000 1.036 133 N HN -0.038 8.121 8.380 0.020 0.234 0.422 134 H N -1.970 117.102 119.070 0.004 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.402 172.928 175.328 0.004 0.000 0.973 134 H CA -2.278 53.772 56.048 0.003 0.000 1.321 134 H CB 1.397 31.162 29.762 0.004 0.000 1.535 134 H HN -0.601 7.764 8.280 0.141 0.000 0.518 135 P HA -0.011 nan 4.420 nan 0.000 0.271 135 P C -1.653 175.688 177.300 0.068 0.000 1.220 135 P CA -0.097 63.034 63.100 0.052 0.000 0.768 135 P CB 0.480 32.190 31.700 0.018 0.000 0.848 136 D N 2.891 123.324 120.400 0.056 0.000 2.751 136 D HA -0.024 nan 4.640 nan 0.000 0.236 136 D C -0.047 176.277 176.300 0.040 0.000 1.196 136 D CA -0.027 54.001 54.000 0.047 0.000 0.741 136 D CB 1.461 42.290 40.800 0.048 0.000 1.474 136 D HN -0.412 7.989 8.370 0.052 0.000 0.452 137 Q N 1.423 121.242 119.800 0.032 0.000 2.224 137 Q HA -0.201 nan 4.340 nan 0.000 0.203 137 Q C -0.051 175.963 176.000 0.024 0.000 0.970 137 Q CA 2.177 57.998 55.803 0.030 0.000 0.865 137 Q CB 0.250 29.001 28.738 0.022 0.000 0.922 137 Q HN 0.137 8.424 8.270 0.028 0.000 0.445 138 Q N -1.445 118.365 119.800 0.018 0.000 2.352 138 Q HA -0.241 nan 4.340 nan 0.000 0.326 138 Q C -0.881 175.125 176.000 0.011 0.000 1.135 138 Q CA 0.921 56.730 55.803 0.009 0.000 1.000 138 Q CB 0.465 29.206 28.738 0.004 0.000 1.237 138 Q HN -0.265 8.158 8.270 0.020 -0.141 0.409 139 S N 2.366 118.067 115.700 0.002 0.000 2.592 139 S HA 0.371 nan 4.470 nan 0.000 0.271 139 S C -0.739 173.864 174.600 0.004 0.000 1.326 139 S CA 0.203 58.403 58.200 -0.000 0.000 1.024 139 S CB 0.824 64.017 63.200 -0.011 0.000 0.921 139 S HN 0.098 8.406 8.310 -0.003 0.000 0.527 140 I N 2.459 123.034 120.570 0.008 0.000 2.474 140 I HA 0.330 nan 4.170 nan 0.000 0.294 140 I C -2.101 174.021 176.117 0.008 0.000 1.005 140 I CA -0.535 60.773 61.300 0.013 0.000 1.113 140 I CB 2.423 40.438 38.000 0.024 0.000 1.289 140 I HN 0.128 8.342 8.210 0.006 0.000 0.436 141 V N 6.679 126.597 119.914 0.007 0.000 2.656 141 V HA 0.662 nan 4.120 nan 0.000 0.307 141 V C -1.712 174.390 176.094 0.013 0.000 1.051 141 V CA -1.771 60.531 62.300 0.003 0.000 0.893 141 V CB 2.350 34.168 31.823 -0.009 0.000 0.999 141 V HN 0.131 8.327 8.190 0.010 0.000 0.426 142 V N 7.637 127.564 119.914 0.021 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.911 174.205 176.094 0.036 0.000 1.042 142 V CA -1.208 61.112 62.300 0.033 0.000 0.877 142 V CB 3.556 35.407 31.823 0.047 0.000 0.996 142 V HN 0.603 8.805 8.190 0.019 0.000 0.425 143 E N 6.382 126.607 120.200 0.042 0.000 2.052 143 E HA 0.177 nan 4.350 nan 0.000 0.283 143 E C 0.263 176.920 176.600 0.095 0.000 1.071 143 E CA -1.053 55.381 56.400 0.057 0.000 0.851 143 E CB 0.691 30.432 29.700 0.068 0.000 1.066 143 E HN 0.477 8.861 8.360 0.041 0.000 0.396 144 A N 8.122 131.013 122.820 0.119 0.000 2.070 144 A HA -0.191 nan 4.320 nan 0.000 0.220 144 A C 0.935 178.620 177.584 0.168 0.000 1.159 144 A CA 2.541 54.666 52.037 0.147 0.000 0.656 144 A CB -0.467 18.645 19.000 0.187 0.000 0.800 144 A HN 0.813 8.930 8.150 0.108 0.097 0.453 145 E N -2.095 118.236 120.200 0.219 0.000 2.233 145 E HA -0.241 nan 4.350 nan 0.000 0.199 145 E C 0.036 176.720 176.600 0.139 0.000 1.004 145 E CA 1.098 57.635 56.400 0.228 0.000 0.819 145 E CB 0.132 30.002 29.700 0.283 0.000 0.738 145 E HN 0.095 8.555 8.360 0.235 0.041 0.478 146 E N -3.435 116.824 120.200 0.099 0.000 6.574 146 E HA -0.290 nan 4.350 nan 0.000 0.171 146 E C -1.072 175.548 176.600 0.033 0.000 1.464 146 E CA 0.842 57.275 56.400 0.056 0.000 2.498 146 E CB -0.032 29.690 29.700 0.037 0.000 1.837 146 E HN -0.244 8.140 8.360 0.105 0.039 0.466 147 T N -0.366 114.192 114.554 0.006 0.000 3.105 147 T HA 0.594 nan 4.350 nan 0.000 0.321 147 T C -1.080 173.597 174.700 -0.038 0.000 1.135 147 T CA 0.033 62.124 62.100 -0.014 0.000 1.053 147 T CB 2.036 70.900 68.868 -0.007 0.000 1.133 147 T HN 0.487 8.727 8.240 -0.000 0.000 0.463 148 G N 1.738 110.495 108.800 -0.070 0.000 2.576 148 G HA2 0.061 nan 3.960 nan 0.000 0.290 148 G HA3 0.061 nan 3.960 nan 0.000 0.290 148 G C -2.321 172.508 174.900 -0.118 0.000 1.442 148 G CA 0.082 45.128 45.100 -0.090 0.000 0.792 148 G HN -0.189 8.053 8.290 -0.080 0.000 0.491 149 N N 0.166 118.807 118.700 -0.099 0.000 2.455 149 N HA 0.074 nan 4.740 nan 0.000 0.280 149 N C -0.159 175.270 175.510 -0.134 0.000 1.055 149 N CA -0.430 52.562 53.050 -0.097 0.000 0.961 149 N CB 0.966 39.421 38.487 -0.054 0.000 1.121 149 N HN -0.017 8.317 8.380 -0.076 0.000 0.476 150 I N 5.141 125.617 120.570 -0.158 0.000 2.313 150 I HA 0.076 nan 4.170 nan 0.000 0.286 150 I C -0.121 175.956 176.117 -0.068 0.000 1.091 150 I CA -0.019 61.163 61.300 -0.198 0.000 1.216 150 I CB -0.047 37.785 38.000 -0.280 0.000 1.434 150 I HN 0.282 8.421 8.210 -0.118 0.000 0.487 151 L N 5.566 126.772 121.223 -0.028 0.000 2.307 151 L HA -0.000 nan 4.340 nan 0.000 0.211 151 L C 0.261 177.157 176.870 0.044 0.000 1.099 151 L CA 0.928 55.775 54.840 0.010 0.000 0.816 151 L CB -0.036 42.034 42.059 0.017 0.000 0.952 151 L HN 0.252 8.460 8.230 -0.036 0.000 0.455 152 D N -0.119 120.325 120.400 0.073 0.000 2.274 152 D HA 0.350 nan 4.640 nan 0.000 0.239 152 D C -0.916 175.474 176.300 0.150 0.000 1.104 152 D CA -2.960 51.109 54.000 0.115 0.000 0.840 152 D CB 1.272 42.160 40.800 0.147 0.000 1.100 152 D HN -0.603 7.806 8.370 0.064 0.000 0.477 153 P HA -0.148 nan 4.420 nan 0.000 0.225 153 P C 0.635 178.016 177.300 0.136 0.000 1.148 153 P CA 1.369 64.540 63.100 0.119 0.000 0.779 153 P CB 0.205 31.950 31.700 0.075 0.000 0.780 154 E N -0.431 119.860 120.200 0.151 0.000 2.265 154 E HA -0.281 nan 4.350 nan 0.000 0.196 154 E C 1.583 178.272 176.600 0.148 0.000 0.996 154 E CA 2.208 58.692 56.400 0.140 0.000 0.832 154 E CB -0.604 29.200 29.700 0.174 0.000 0.756 154 E HN -0.471 8.183 8.360 0.154 -0.201 0.491 155 Y N 0.609 120.969 120.300 0.100 0.000 2.256 155 Y HA -0.382 nan 4.550 nan 0.000 0.288 155 Y C 1.702 177.657 175.900 0.092 0.000 1.155 155 Y CA 3.357 61.521 58.100 0.106 0.000 1.203 155 Y CB 0.082 38.595 38.460 0.088 0.000 0.980 155 Y HN -0.171 8.150 8.280 0.320 0.151 0.530 156 K N -2.051 118.442 120.400 0.155 0.000 2.103 156 K HA -0.334 nan 4.320 nan 0.000 0.207 156 K C 2.274 178.884 176.600 0.017 0.000 1.048 156 K CA 2.295 58.659 56.287 0.129 0.000 0.930 156 K CB -0.830 31.744 32.500 0.123 0.000 0.716 156 K HN -0.249 7.970 8.250 0.204 0.154 0.444 157 L N -2.081 119.059 121.223 -0.139 0.000 2.376 157 L HA -0.158 nan 4.340 nan 0.000 0.219 157 L C 1.377 177.972 176.870 -0.458 0.000 1.133 157 L CA 1.452 56.067 54.840 -0.375 0.000 0.816 157 L CB -0.793 41.137 42.059 -0.215 0.000 0.933 157 L HN -0.462 7.594 8.230 -0.063 0.136 0.449 158 S N 0.930 116.434 115.700 -0.327 0.000 2.402 158 S HA -0.422 nan 4.470 nan 0.000 0.233 158 S C 2.018 176.511 174.600 -0.178 0.000 1.030 158 S CA 3.253 61.290 58.200 -0.271 0.000 1.003 158 S CB -0.290 62.606 63.200 -0.506 0.000 0.813 158 S HN 0.058 7.982 8.310 -0.333 0.186 0.477 159 Y N -0.796 119.487 120.300 -0.029 0.000 2.181 159 Y HA -0.353 nan 4.550 nan 0.000 0.288 159 Y C 1.036 177.002 175.900 0.110 0.000 1.146 159 Y CA 1.793 59.924 58.100 0.052 0.000 1.164 159 Y CB -0.979 37.522 38.460 0.067 0.000 0.982 159 Y HN -0.767 7.401 8.280 -0.150 0.022 0.515 160 F N 0.291 119.859 119.950 -0.636 0.000 2.098 160 F HA -0.242 nan 4.527 nan 0.000 0.294 160 F C 2.351 178.086 175.800 -0.109 0.000 1.107 160 F CA 2.846 60.697 58.000 -0.248 0.000 1.234 160 F CB 0.624 39.417 39.000 -0.344 0.000 1.002 160 F HN -0.347 7.112 8.300 -1.233 0.102 0.472 161 R N -1.630 118.942 120.500 0.121 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.843 178.087 176.300 -0.092 0.000 1.126 161 R CA 2.808 58.965 56.100 0.096 0.000 0.963 161 R CB -0.122 30.234 30.300 0.094 0.000 0.858 161 R HN -0.218 8.086 8.270 0.058 0.000 0.435 162 E N -3.774 116.381 120.200 -0.075 0.000 2.427 162 E HA -0.022 nan 4.350 nan 0.000 0.196 162 E C -0.530 176.023 176.600 -0.079 0.000 1.028 162 E CA 0.340 56.704 56.400 -0.060 0.000 0.864 162 E CB 0.345 30.043 29.700 -0.005 0.000 0.813 162 E HN -0.373 7.834 8.360 -0.063 0.115 0.514 163 D N 0.444 120.779 120.400 -0.108 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.578 176.824 176.300 -0.090 0.000 1.137 163 D CA 0.817 54.770 54.000 -0.079 0.000 0.868 163 D CB 0.912 41.660 40.800 -0.086 0.000 1.180 163 D HN -0.909 7.205 8.370 -0.148 0.167 0.465 164 I N 6.207 126.734 120.570 -0.073 0.000 2.252 164 I HA -0.225 nan 4.170 nan 0.000 0.245 164 I C 1.056 177.223 176.117 0.083 0.000 1.102 164 I CA 2.949 64.285 61.300 0.060 0.000 1.385 164 I CB 0.502 38.406 38.000 -0.161 0.000 1.064 164 I HN 0.423 8.548 8.210 -0.142 0.000 0.414 165 G N -0.890 107.910 108.800 0.001 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 1.391 176.210 174.900 -0.135 0.000 1.158 165 G CA 2.247 47.336 45.100 -0.019 0.000 0.771 165 G HN -0.229 8.262 8.290 0.007 -0.196 0.545 166 I N 2.159 122.541 120.570 -0.314 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.772 177.777 176.117 -0.186 0.000 1.088 166 I CA 2.661 63.649 61.300 -0.521 0.000 1.357 166 I CB -1.035 36.556 38.000 -0.682 0.000 1.051 166 I HN -0.365 7.935 8.210 -0.272 -0.254 0.409 167 N N -0.076 118.575 118.700 -0.082 0.000 2.120 167 N HA -0.292 nan 4.740 nan 0.000 0.188 167 N C 2.200 177.822 175.510 0.187 0.000 1.024 167 N CA 3.471 56.527 53.050 0.009 0.000 0.852 167 N CB -0.359 38.060 38.487 -0.113 0.000 1.003 167 N HN -0.591 7.719 8.380 -0.116 0.000 0.424 168 A N -0.004 122.974 122.820 0.263 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.840 179.592 177.584 0.281 0.000 1.181 168 A CA 3.061 55.255 52.037 0.261 0.000 0.623 168 A CB -0.730 18.429 19.000 0.265 0.000 0.818 168 A HN -0.152 8.035 8.150 0.232 0.102 0.443 169 H N 0.186 119.402 119.070 0.243 0.000 2.321 169 H HA -0.404 nan 4.556 nan 0.000 0.300 169 H C 1.801 177.367 175.328 0.396 0.000 1.087 169 H CA 3.991 60.243 56.048 0.340 0.000 1.319 169 H CB 0.092 29.941 29.762 0.146 0.000 1.379 169 H HN -0.087 8.368 8.280 0.292 0.000 0.501 170 H N -0.403 118.807 119.070 0.234 0.000 2.387 170 H HA -0.364 nan 4.556 nan 0.000 0.299 170 H C 2.551 178.095 175.328 0.359 0.000 1.090 170 H CA 3.192 59.384 56.048 0.239 0.000 1.332 170 H CB 0.348 30.228 29.762 0.198 0.000 1.386 170 H HN -0.451 8.077 8.280 0.414 0.000 0.516 171 W N 0.387 121.740 121.300 0.088 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.609 178.103 176.519 -0.041 0.000 1.206 171 W CA 4.129 61.461 57.345 -0.022 0.000 1.284 171 W CB -0.325 29.039 29.460 -0.161 0.000 1.145 171 W HN -0.205 8.234 8.180 0.431 0.000 0.502 172 H N -2.492 116.768 119.070 0.317 0.000 2.353 172 H HA -0.363 nan 4.556 nan 0.000 0.300 172 H C 2.212 177.551 175.328 0.018 0.000 1.090 172 H CA 4.231 60.373 56.048 0.156 0.000 1.327 172 H CB -0.266 29.596 29.762 0.167 0.000 1.383 172 H HN -0.306 7.970 8.280 0.118 0.074 0.508 173 W N 0.275 121.521 121.300 -0.090 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.786 178.272 176.519 -0.055 0.000 1.208 173 W CA 4.906 62.181 57.345 -0.117 0.000 1.274 173 W CB -0.124 29.167 29.460 -0.282 0.000 1.138 173 W HN 0.523 8.793 8.180 0.150 0.000 0.515 174 H N -2.999 116.243 119.070 0.286 0.000 2.421 174 H HA -0.316 nan 4.556 nan 0.000 0.298 174 H C 2.514 177.815 175.328 -0.045 0.000 1.087 174 H CA 4.292 60.462 56.048 0.203 0.000 1.330 174 H CB -0.170 29.644 29.762 0.086 0.000 1.388 174 H HN -0.649 7.805 8.280 0.290 0.000 0.526 175 I N -0.768 119.728 120.570 -0.123 0.000 2.252 175 I HA -0.319 nan 4.170 nan 0.000 0.245 175 I C 1.644 177.708 176.117 -0.089 0.000 1.102 175 I CA 2.743 63.934 61.300 -0.182 0.000 1.385 175 I CB -0.200 37.663 38.000 -0.228 0.000 1.064 175 I HN -0.711 7.283 8.210 -0.147 0.127 0.414 176 V N -4.414 115.368 119.914 -0.220 0.000 2.427 176 V HA -0.219 nan 4.120 nan 0.000 0.248 176 V C 0.185 175.836 176.094 -0.737 0.000 1.051 176 V CA 2.880 64.922 62.300 -0.429 0.000 1.048 176 V CB 0.038 31.543 31.823 -0.529 0.000 0.666 176 V HN -0.553 7.432 8.190 -0.198 0.086 0.456 177 Y N -1.743 118.211 120.300 -0.577 0.000 2.842 177 Y HA 0.456 nan 4.550 nan 0.000 0.334 177 Y C -2.355 173.396 175.900 -0.248 0.000 1.019 177 Y CA -3.165 54.598 58.100 -0.562 0.000 1.258 177 Y CB -0.009 37.934 38.460 -0.862 0.000 1.106 177 Y HN -0.298 7.671 8.280 -0.518 0.000 0.545 178 P HA 0.076 nan 4.420 nan 0.000 0.278 178 P C -0.272 177.138 177.300 0.184 0.000 1.238 178 P CA -0.742 62.463 63.100 0.174 0.000 0.794 178 P CB 0.425 32.221 31.700 0.161 0.000 0.955 179 A N 3.533 126.465 122.820 0.186 0.000 1.930 179 A HA -0.205 nan 4.320 nan 0.000 0.217 179 A C 1.075 178.724 177.584 0.107 0.000 1.175 179 A CA 3.128 55.244 52.037 0.131 0.000 0.627 179 A CB -0.477 18.577 19.000 0.090 0.000 0.815 179 A HN 0.570 8.846 8.150 0.210 0.000 0.443 180 T N -5.804 108.811 114.554 0.102 0.000 3.035 180 T HA -0.204 nan 4.350 nan 0.000 0.268 180 T C 0.850 175.585 174.700 0.058 0.000 1.109 180 T CA 0.134 62.282 62.100 0.078 0.000 1.119 180 T CB -0.451 68.492 68.868 0.124 0.000 0.900 180 T HN 0.019 8.300 8.240 0.112 0.026 0.503 181 W N 3.507 124.732 121.300 -0.125 0.000 2.513 181 W HA -0.383 nan 4.660 nan 0.000 0.339 181 W C -1.775 174.667 176.519 -0.129 0.000 1.257 181 W CA 1.288 58.519 57.345 -0.189 0.000 1.280 181 W CB -0.177 29.173 29.460 -0.183 0.000 1.214 181 W HN -0.748 7.375 8.180 0.234 0.198 0.567 182 N N 8.030 126.381 118.700 -0.582 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.662 173.472 175.510 -0.626 0.000 0.979 182 N CA -3.079 49.730 53.050 -0.402 0.000 0.930 182 N CB 1.991 40.306 38.487 -0.287 0.000 1.172 182 N HN -0.057 7.796 8.380 -0.879 0.000 0.499 183 P HA -0.057 nan 4.420 nan 0.000 0.221 183 P C 0.857 178.056 177.300 -0.167 0.000 1.150 183 P CA 1.750 64.755 63.100 -0.158 0.000 0.800 183 P CB 0.453 32.234 31.700 0.134 0.000 0.787 184 T N -4.949 109.519 114.554 -0.143 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.159 174.700 -0.152 0.000 1.038 184 T CA 3.032 65.069 62.100 -0.107 0.000 1.144 184 T CB -0.527 68.296 68.868 -0.075 0.000 0.866 184 T HN 0.334 8.772 8.240 -0.138 -0.281 0.434 185 V N 1.477 121.256 119.914 -0.224 0.000 2.261 185 V HA -0.283 nan 4.120 nan 0.000 0.246 185 V C 1.946 177.870 176.094 -0.284 0.000 1.047 185 V CA 2.792 64.954 62.300 -0.229 0.000 1.015 185 V CB -0.241 31.425 31.823 -0.261 0.000 0.642 185 V HN -0.491 7.760 8.190 -0.240 -0.205 0.446 186 M N -2.421 116.892 119.600 -0.478 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.440 177.603 176.300 -0.227 0.000 1.065 186 M CA 1.412 56.415 55.300 -0.495 0.000 1.122 186 M CB 0.366 32.451 32.600 -0.859 0.000 1.365 186 M HN -0.310 7.613 8.290 -0.612 0.000 0.411 187 G N -3.193 105.507 108.800 -0.167 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 -1.637 173.269 174.900 0.010 0.000 1.058 187 G CA 0.375 45.440 45.100 -0.058 0.000 0.632 187 G HN 0.133 8.087 8.290 -0.223 0.202 0.508 188 K N 0.818 121.250 120.400 0.053 0.000 2.087 188 K HA 0.166 nan 4.320 nan 0.000 0.255 188 K C -1.309 175.477 176.600 0.310 0.000 0.988 188 K CA -1.301 55.083 56.287 0.162 0.000 0.915 188 K CB 1.014 33.633 32.500 0.197 0.000 1.043 188 K HN -0.290 7.860 8.250 -0.004 0.098 0.457 189 E N -0.933 119.420 120.200 0.254 0.000 2.277 189 E HA 0.210 nan 4.350 nan 0.000 0.266 189 E C -0.892 175.755 176.600 0.078 0.000 0.901 189 E CA -1.972 54.600 56.400 0.287 0.000 0.782 189 E CB 2.196 32.008 29.700 0.187 0.000 1.228 189 E HN 0.044 8.504 8.360 0.166 0.000 0.424 190 K N 1.124 121.455 120.400 -0.116 0.000 2.262 190 K HA 0.136 nan 4.320 nan 0.000 0.282 190 K C -0.663 175.944 176.600 0.011 0.000 1.066 190 K CA -1.502 54.656 56.287 -0.216 0.000 0.901 190 K CB 0.212 32.435 32.500 -0.462 0.000 1.089 190 K HN 0.387 8.594 8.250 -0.071 0.000 0.476 191 D N 4.155 124.595 120.400 0.067 0.000 2.425 191 D HA -0.079 nan 4.640 nan 0.000 0.247 191 D C 0.119 176.482 176.300 0.105 0.000 1.147 191 D CA 1.087 55.143 54.000 0.093 0.000 0.879 191 D CB 0.343 41.204 40.800 0.101 0.000 1.179 191 D HN 0.143 8.541 8.370 0.047 0.000 0.456 192 R N -0.283 120.258 120.500 0.068 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.656 176.965 176.300 0.015 0.000 1.053 192 R CA 0.986 57.105 56.100 0.032 0.000 0.705 192 R CB -2.267 28.021 30.300 -0.019 0.000 1.124 192 R HN 0.738 9.050 8.270 0.071 0.000 0.444 193 K N -1.563 118.866 120.400 0.048 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.669 178.312 176.600 0.071 0.000 1.050 193 K CA 2.778 59.064 56.287 -0.003 0.000 0.938 193 K CB -0.636 31.944 32.500 0.134 0.000 0.718 193 K HN -0.360 7.934 8.250 0.073 0.000 0.442 194 G N -0.667 108.198 108.800 0.108 0.000 2.418 194 G HA2 -0.321 nan 3.960 nan 0.000 0.217 194 G HA3 -0.321 nan 3.960 nan 0.000 0.217 194 G C 0.873 175.905 174.900 0.220 0.000 1.158 194 G CA 2.048 47.245 45.100 0.161 0.000 0.771 194 G HN -0.163 8.340 8.290 0.087 -0.161 0.545 195 E N 1.594 121.873 120.200 0.132 0.000 2.106 195 E HA -0.186 nan 4.350 nan 0.000 0.192 195 E C 1.890 178.594 176.600 0.174 0.000 0.984 195 E CA 2.185 58.666 56.400 0.134 0.000 0.806 195 E CB -0.248 29.472 29.700 0.033 0.000 0.750 195 E HN -0.609 7.901 8.360 0.085 -0.099 0.458 196 L N 0.025 121.302 121.223 0.090 0.000 2.083 196 L HA -0.334 nan 4.340 nan 0.000 0.209 196 L C 1.259 178.273 176.870 0.239 0.000 1.083 196 L CA 3.144 58.044 54.840 0.101 0.000 0.752 196 L CB -0.285 41.711 42.059 -0.106 0.000 0.899 196 L HN -0.040 8.134 8.230 0.031 0.075 0.433 197 F N 0.691 120.764 119.950 0.205 0.000 2.095 197 F HA -0.483 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.970 175.800 0.012 0.000 1.104 197 F CA 4.170 62.293 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 0.217 8.679 8.300 0.409 0.084 0.475 198 F N 0.263 120.115 119.950 -0.165 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.804 176.352 175.800 -0.419 0.000 1.105 198 F CA 3.732 61.365 58.000 -0.611 0.000 1.239 198 F CB -0.103 38.431 39.000 -0.776 0.000 0.991 198 F HN -0.476 7.939 8.300 0.332 0.083 0.474 199 Y N -0.112 119.841 120.300 -0.577 0.000 2.163 199 Y HA -0.530 nan 4.550 nan 0.000 0.288 199 Y C 1.515 177.057 175.900 -0.596 0.000 1.136 199 Y CA 3.804 61.539 58.100 -0.608 0.000 1.147 199 Y CB 0.107 38.459 38.460 -0.181 0.000 0.987 199 Y HN 0.085 8.336 8.280 0.081 0.077 0.509 200 M N -0.754 118.522 119.600 -0.541 0.000 2.086 200 M HA -0.468 nan 4.480 nan 0.000 0.261 200 M C 1.909 177.675 176.300 -0.891 0.000 1.067 200 M CA 2.730 57.571 55.300 -0.766 0.000 1.116 200 M CB -0.414 31.593 32.600 -0.989 0.000 1.348 200 M HN 0.328 8.443 8.290 -0.293 0.000 0.407 201 H N -1.634 116.939 119.070 -0.827 0.000 2.389 201 H HA -0.265 nan 4.556 nan 0.000 0.299 201 H C 2.502 177.522 175.328 -0.514 0.000 1.081 201 H CA 4.618 60.315 56.048 -0.584 0.000 1.345 201 H CB -0.335 29.105 29.762 -0.536 0.000 1.393 201 H HN -0.498 7.346 8.280 -0.726 0.000 0.520 202 Q N -0.562 118.848 119.800 -0.650 0.000 2.084 202 Q HA -0.354 nan 4.340 nan 0.000 0.202 202 Q C 2.393 178.080 176.000 -0.522 0.000 0.978 202 Q CA 3.330 58.772 55.803 -0.601 0.000 0.844 202 Q CB -0.350 27.823 28.738 -0.942 0.000 0.898 202 Q HN -0.194 7.447 8.270 -0.881 0.101 0.426 203 Q N -0.689 118.651 119.800 -0.766 0.000 2.124 203 Q HA -0.271 nan 4.340 nan 0.000 0.202 203 Q C 2.639 178.315 176.000 -0.541 0.000 0.977 203 Q CA 2.698 58.057 55.803 -0.739 0.000 0.850 203 Q CB -0.313 27.731 28.738 -1.158 0.000 0.901 203 Q HN 0.017 7.690 8.270 -0.995 0.000 0.429 204 M N -0.079 119.243 119.600 -0.463 0.000 2.117 204 M HA -0.393 nan 4.480 nan 0.000 0.262 204 M C 2.304 178.654 176.300 0.085 0.000 1.065 204 M CA 4.388 59.612 55.300 -0.127 0.000 1.114 204 M CB -0.080 32.523 32.600 0.005 0.000 1.361 204 M HN -0.141 7.735 8.290 -0.570 0.072 0.408 205 C N -1.004 118.330 119.300 0.056 0.000 2.446 205 C HA -0.342 nan 4.460 nan 0.000 0.277 205 C C 1.828 176.848 174.990 0.051 0.000 1.275 205 C CA 4.045 63.164 59.018 0.169 0.000 1.727 205 C CB -2.108 25.708 27.740 0.126 0.000 2.010 205 C HN -0.107 8.093 8.230 -0.049 0.000 0.486 206 A N -0.036 122.739 122.820 -0.076 0.000 1.902 206 A HA -0.338 nan 4.320 nan 0.000 0.217 206 A C 1.934 179.453 177.584 -0.108 0.000 1.181 206 A CA 3.371 55.348 52.037 -0.100 0.000 0.623 206 A CB -0.952 17.967 19.000 -0.135 0.000 0.818 206 A HN 0.572 8.465 8.150 -0.142 0.171 0.443 207 R N -1.960 118.467 120.500 -0.123 0.000 2.096 207 R HA -0.353 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.411 176.300 -0.265 0.000 1.127 207 R CA 3.167 59.202 56.100 -0.109 0.000 0.968 207 R CB -0.048 30.262 30.300 0.016 0.000 0.861 207 R HN 0.229 8.294 8.270 -0.148 0.116 0.440 208 Y N 1.061 121.079 120.300 -0.471 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.379 176.969 175.900 -0.517 0.000 1.146 208 Y CA 3.246 60.865 58.100 -0.802 0.000 1.164 208 Y CB -0.096 37.872 38.460 -0.821 0.000 0.982 208 Y HN -0.101 8.064 8.280 -0.055 0.082 0.515 209 D N -1.694 118.538 120.400 -0.279 0.000 2.178 209 D HA -0.341 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.763 176.300 -0.262 0.000 0.980 209 D CA 3.334 57.180 54.000 -0.257 0.000 0.842 209 D CB -0.834 39.899 40.800 -0.111 0.000 0.948 209 D HN 0.194 8.438 8.370 -0.098 0.068 0.472 210 S N -1.246 114.334 115.700 -0.200 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.922 176.465 174.600 -0.095 0.000 1.014 210 S CA 3.438 61.595 58.200 -0.071 0.000 0.965 210 S CB -0.240 62.965 63.200 0.009 0.000 0.785 210 S HN -0.301 7.804 8.310 -0.193 0.089 0.495 211 E N 1.459 121.489 120.200 -0.284 0.000 2.072 211 E HA -0.259 nan 4.350 nan 0.000 0.191 211 E C 2.603 179.044 176.600 -0.265 0.000 0.985 211 E CA 2.827 59.076 56.400 -0.251 0.000 0.801 211 E CB -0.455 28.953 29.700 -0.488 0.000 0.750 211 E HN -0.508 7.457 8.360 -0.439 0.132 0.452 212 R N -0.583 119.649 120.500 -0.448 0.000 2.081 212 R HA -0.280 nan 4.340 nan 0.000 0.235 212 R C 2.729 178.928 176.300 -0.168 0.000 1.131 212 R CA 3.314 59.211 56.100 -0.337 0.000 0.960 212 R CB -0.134 29.944 30.300 -0.371 0.000 0.856 212 R HN -0.457 7.358 8.270 -0.631 0.076 0.436 213 L N -1.176 119.966 121.223 -0.135 0.000 2.083 213 L HA -0.269 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.581 176.870 -0.037 0.000 1.083 213 L CA 3.120 57.912 54.840 -0.079 0.000 0.752 213 L CB -0.575 41.438 42.059 -0.075 0.000 0.899 213 L HN -0.045 8.083 8.230 -0.170 0.000 0.433 214 S N 0.606 116.318 115.700 0.020 0.000 2.382 214 S HA -0.378 nan 4.470 nan 0.000 0.228 214 S C 1.633 176.245 174.600 0.020 0.000 1.027 214 S CA 3.961 62.209 58.200 0.080 0.000 0.991 214 S CB -0.430 62.854 63.200 0.139 0.000 0.823 214 S HN -0.018 8.190 8.310 0.004 0.105 0.469 215 N N -2.103 116.592 118.700 -0.008 0.000 2.396 215 N HA -0.233 nan 4.740 nan 0.000 0.180 215 N C 0.315 175.810 175.510 -0.025 0.000 1.028 215 N CA 1.393 54.435 53.050 -0.013 0.000 0.893 215 N CB 0.295 38.765 38.487 -0.029 0.000 0.967 215 N HN -0.231 8.027 8.380 -0.030 0.104 0.440 216 G N -2.574 106.201 108.800 -0.042 0.000 2.144 216 G HA2 -0.264 nan 3.960 nan 0.000 0.218 216 G HA3 -0.264 nan 3.960 nan 0.000 0.218 216 G C -0.753 174.121 174.900 -0.042 0.000 0.988 216 G CA -0.099 44.974 45.100 -0.045 0.000 0.659 216 G HN -0.431 7.643 8.290 -0.049 0.187 0.522 217 L N -1.044 120.146 121.223 -0.055 0.000 2.375 217 L HA 0.292 nan 4.340 nan 0.000 0.268 217 L C -0.601 176.234 176.870 -0.059 0.000 1.058 217 L CA -1.275 53.534 54.840 -0.052 0.000 0.803 217 L CB 1.852 43.872 42.059 -0.065 0.000 1.212 217 L HN 0.197 8.247 8.230 -0.067 0.140 0.451 218 Q N -2.310 117.467 119.800 -0.039 0.000 2.318 218 Q HA 0.147 nan 4.340 nan 0.000 0.222 218 Q C -0.546 175.429 176.000 -0.042 0.000 1.003 218 Q CA -0.750 55.032 55.803 -0.035 0.000 0.936 218 Q CB 1.121 29.851 28.738 -0.015 0.000 1.204 218 Q HN 0.034 8.290 8.270 -0.024 0.000 0.524 219 R N -0.802 119.676 120.500 -0.036 0.000 2.641 219 R HA -0.065 nan 4.340 nan 0.000 0.269 219 R C 0.106 176.419 176.300 0.021 0.000 1.074 219 R CA 0.076 56.159 56.100 -0.029 0.000 1.133 219 R CB 0.605 30.888 30.300 -0.028 0.000 1.029 219 R HN -0.273 8.175 8.270 -0.036 -0.199 0.488 220 M N 1.511 121.152 119.600 0.069 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.488 176.853 176.300 0.108 0.000 1.121 220 M CA 0.281 55.660 55.300 0.132 0.000 1.155 220 M CB 0.584 33.321 32.600 0.228 0.000 1.514 220 M HN 0.083 8.595 8.290 0.064 -0.184 0.452 221 I N 2.857 123.495 120.570 0.114 0.000 2.525 221 I HA 0.448 nan 4.170 nan 0.000 0.301 221 I C -1.782 174.417 176.117 0.137 0.000 0.992 221 I CA -3.488 57.872 61.300 0.100 0.000 1.162 221 I CB 1.820 39.867 38.000 0.078 0.000 1.332 221 I HN -0.044 8.243 8.210 0.128 0.000 0.458 222 P HA 0.085 nan 4.420 nan 0.000 0.274 222 P C -1.419 176.011 177.300 0.217 0.000 1.231 222 P CA -0.866 62.348 63.100 0.191 0.000 0.790 222 P CB 0.600 32.413 31.700 0.188 0.000 0.951 223 F N 4.258 124.252 119.950 0.074 0.000 2.541 223 F HA 0.023 nan 4.527 nan 0.000 0.351 223 F C -0.692 174.991 175.800 -0.195 0.000 1.209 223 F CA -1.391 56.574 58.000 -0.059 0.000 1.277 223 F CB -0.227 38.703 39.000 -0.115 0.000 1.632 223 F HN -0.108 8.315 8.300 0.329 0.075 0.619 224 H N 6.038 124.961 119.070 -0.245 0.000 2.363 224 H HA -0.179 nan 4.556 nan 0.000 0.301 224 H C -0.748 174.363 175.328 -0.362 0.000 1.074 224 H CA 2.412 58.426 56.048 -0.058 0.000 1.354 224 H CB 0.715 30.522 29.762 0.075 0.000 1.397 224 H HN -0.476 7.768 8.280 0.033 0.055 0.516 225 N N -2.404 116.028 118.700 -0.446 0.000 2.426 225 N HA -0.058 nan 4.740 nan 0.000 0.275 225 N C 1.163 176.225 175.510 -0.747 0.000 1.019 225 N CA -1.121 51.740 53.050 -0.314 0.000 0.941 225 N CB 0.354 38.764 38.487 -0.128 0.000 1.123 225 N HN -0.401 7.636 8.380 -0.571 0.000 0.486 226 F N 5.096 124.834 119.950 -0.353 0.000 2.234 226 F HA -0.259 nan 4.527 nan 0.000 0.299 226 F C 0.955 176.776 175.800 0.036 0.000 1.087 226 F CA 3.042 61.015 58.000 -0.045 0.000 1.340 226 F CB 0.191 39.197 39.000 0.011 0.000 1.031 226 F HN 0.662 9.186 8.300 0.373 0.000 0.500 227 D N -3.247 117.224 120.400 0.118 0.000 2.144 227 D HA -0.187 nan 4.640 nan 0.000 0.200 227 D C 1.010 177.348 176.300 0.064 0.000 0.978 227 D CA 2.249 56.299 54.000 0.084 0.000 0.833 227 D CB -0.006 40.823 40.800 0.047 0.000 0.961 227 D HN 0.129 8.916 8.370 0.111 -0.350 0.470 228 E N -0.228 119.973 120.200 0.002 0.000 2.413 228 E HA 0.036 nan 4.350 nan 0.000 0.263 228 E C -1.768 174.928 176.600 0.161 0.000 1.015 228 E CA -1.091 55.334 56.400 0.041 0.000 0.916 228 E CB -0.900 28.784 29.700 -0.027 0.000 0.947 228 E HN -0.828 7.436 8.360 -0.115 0.027 0.440 229 P HA 0.151 nan 4.420 nan 0.000 0.275 229 P C -1.491 175.922 177.300 0.188 0.000 1.228 229 P CA -0.215 62.973 63.100 0.146 0.000 0.786 229 P CB 0.612 32.367 31.700 0.091 0.000 0.927 230 L N 1.290 122.623 121.223 0.183 0.000 2.399 230 L HA 0.165 nan 4.340 nan 0.000 0.265 230 L C -0.073 176.899 176.870 0.169 0.000 1.089 230 L CA -0.600 54.326 54.840 0.143 0.000 0.802 230 L CB 0.784 42.863 42.059 0.033 0.000 1.180 230 L HN 0.249 8.500 8.230 0.199 0.099 0.454 231 E N 0.554 120.840 120.200 0.143 0.000 2.366 231 E HA -0.029 nan 4.350 nan 0.000 0.266 231 E C 0.048 176.742 176.600 0.157 0.000 1.051 231 E CA 0.050 56.542 56.400 0.155 0.000 0.884 231 E CB 0.793 30.579 29.700 0.144 0.000 1.006 231 E HN 0.138 8.570 8.360 0.120 0.000 0.417 232 G N 0.016 108.921 108.800 0.174 0.000 2.476 232 G HA2 0.142 nan 3.960 nan 0.000 0.286 232 G HA3 0.142 nan 3.960 nan 0.000 0.286 232 G C -2.030 172.991 174.900 0.201 0.000 1.177 232 G CA -0.353 44.835 45.100 0.147 0.000 0.870 232 G HN -0.031 8.368 8.290 0.181 0.000 0.528 233 Y N 1.386 121.694 120.300 0.012 0.000 2.441 233 Y HA 0.081 nan 4.550 nan 0.000 0.334 233 Y C -2.306 173.587 175.900 -0.012 0.000 1.061 233 Y CA -0.275 57.840 58.100 0.026 0.000 1.032 233 Y CB 3.646 42.122 38.460 0.027 0.000 1.266 233 Y HN -0.055 8.287 8.280 0.103 0.000 0.441 234 A N 7.942 130.294 122.820 -0.781 0.000 2.291 234 A HA 0.509 nan 4.320 nan 0.000 0.311 234 A C -1.691 175.388 177.584 -0.841 0.000 1.224 234 A CA -3.549 48.107 52.037 -0.634 0.000 0.821 234 A CB 0.616 19.302 19.000 -0.523 0.000 1.172 234 A HN 0.475 8.037 8.150 -0.981 0.000 0.494 235 P HA -0.110 nan 4.420 nan 0.000 0.220 235 P C -0.811 176.532 177.300 0.071 0.000 1.152 235 P CA 1.034 64.083 63.100 -0.085 0.000 0.812 235 P CB 0.330 32.090 31.700 0.099 0.000 0.792 236 H N -5.679 113.372 119.070 -0.033 0.000 2.756 236 H HA -0.317 nan 4.556 nan 0.000 0.315 236 H C -1.589 173.780 175.328 0.068 0.000 1.210 236 H CA 0.309 56.366 56.048 0.015 0.000 1.150 236 H CB -1.882 27.886 29.762 0.011 0.000 1.463 236 H HN 0.268 8.304 8.280 -0.407 0.000 0.427 237 L N -2.904 118.428 121.223 0.181 0.000 2.346 237 L HA 0.606 nan 4.340 nan 0.000 0.274 237 L C -0.515 176.477 176.870 0.204 0.000 1.007 237 L CA -0.847 54.127 54.840 0.223 0.000 0.818 237 L CB 2.424 44.681 42.059 0.329 0.000 1.284 237 L HN -0.323 7.997 8.230 0.151 0.000 0.424 238 T N -1.469 113.178 114.554 0.156 0.000 2.940 238 T HA 0.582 nan 4.350 nan 0.000 0.288 238 T C -0.433 174.310 174.700 0.072 0.000 1.033 238 T CA -2.232 59.921 62.100 0.087 0.000 1.033 238 T CB 2.195 71.107 68.868 0.074 0.000 1.079 238 T HN 0.312 8.651 8.240 0.165 0.000 0.496 239 S N 1.543 117.243 115.700 -0.000 0.000 2.456 239 S HA 0.429 nan 4.470 nan 0.000 0.316 239 S C 1.474 176.097 174.600 0.039 0.000 1.089 239 S CA -1.987 56.218 58.200 0.008 0.000 1.101 239 S CB 1.489 64.639 63.200 -0.084 0.000 0.995 239 S HN 0.501 8.704 8.310 -0.023 0.093 0.468 240 L N 2.339 123.614 121.223 0.085 0.000 2.353 240 L HA -0.166 nan 4.340 nan 0.000 0.220 240 L C 0.415 177.329 176.870 0.073 0.000 1.133 240 L CA 2.378 57.267 54.840 0.082 0.000 0.798 240 L CB -0.662 41.460 42.059 0.105 0.000 0.922 240 L HN -0.063 8.487 8.230 0.119 -0.249 0.445 241 V N -6.371 113.591 119.914 0.080 0.000 2.379 241 V HA -0.094 nan 4.120 nan 0.000 0.245 241 V C 0.529 176.652 176.094 0.048 0.000 1.044 241 V CA 0.714 63.062 62.300 0.079 0.000 1.036 241 V CB -0.339 31.543 31.823 0.098 0.000 0.664 241 V HN 0.190 8.337 8.190 0.074 0.088 0.453 242 S N -0.065 115.653 115.700 0.030 0.000 2.900 242 S HA 0.328 nan 4.470 nan 0.000 0.320 242 S C 0.639 175.245 174.600 0.011 0.000 1.130 242 S CA -0.747 57.464 58.200 0.019 0.000 0.863 242 S CB 2.284 65.492 63.200 0.012 0.000 1.295 242 S HN -0.756 7.568 8.310 0.024 0.000 0.596 243 G N -1.390 107.413 108.800 0.005 0.000 3.026 243 G HA2 0.087 nan 3.960 nan 0.000 0.208 243 G HA3 0.087 nan 3.960 nan 0.000 0.208 243 G C -0.245 174.650 174.900 -0.009 0.000 1.169 243 G CA 0.233 45.334 45.100 0.002 0.000 0.788 243 G HN 0.194 8.487 8.290 0.005 0.000 0.533 244 L N -0.992 120.217 121.223 -0.024 0.000 2.347 244 L HA 0.373 nan 4.340 nan 0.000 0.268 244 L C -1.698 175.126 176.870 -0.077 0.000 1.019 244 L CA -1.544 53.268 54.840 -0.047 0.000 0.806 244 L CB 2.929 44.955 42.059 -0.055 0.000 1.339 244 L HN -0.576 7.575 8.230 -0.023 0.066 0.463 245 Q N -3.498 116.242 119.800 -0.100 0.000 2.615 245 Q HA 0.307 nan 4.340 nan 0.000 0.298 245 Q C -1.617 174.285 176.000 -0.164 0.000 1.023 245 Q CA -1.881 53.856 55.803 -0.110 0.000 0.768 245 Q CB 3.430 32.160 28.738 -0.013 0.000 1.500 245 Q HN -0.330 7.888 8.270 -0.086 0.000 0.441 246 Y N -0.526 119.769 120.300 -0.008 0.000 2.442 246 Y HA -0.213 nan 4.550 nan 0.000 0.330 246 Y C -0.236 175.636 175.900 -0.047 0.000 1.129 246 Y CA 0.806 58.899 58.100 -0.012 0.000 1.365 246 Y CB 0.423 38.887 38.460 0.005 0.000 1.233 246 Y HN -0.437 7.922 8.280 0.131 0.000 0.529 247 A N 5.398 128.262 122.820 0.073 0.000 2.425 247 A HA 0.049 nan 4.320 nan 0.000 0.249 247 A C -1.352 176.207 177.584 -0.042 0.000 1.084 247 A CA -0.243 51.778 52.037 -0.026 0.000 0.781 247 A CB 0.826 19.783 19.000 -0.071 0.000 1.019 247 A HN -0.257 7.941 8.150 0.080 0.000 0.490 248 S N 0.873 116.502 115.700 -0.118 0.000 2.645 248 S HA 0.305 nan 4.470 nan 0.000 0.266 248 S C -0.557 173.930 174.600 -0.188 0.000 1.258 248 S CA -0.556 57.553 58.200 -0.152 0.000 0.990 248 S CB 1.271 64.340 63.200 -0.218 0.000 0.967 248 S HN -0.081 8.146 8.310 -0.139 0.000 0.556 249 R N 0.822 121.220 120.500 -0.169 0.000 2.409 249 R HA 0.561 nan 4.340 nan 0.000 0.313 249 R C -2.122 174.050 176.300 -0.214 0.000 0.953 249 R CA -3.355 52.595 56.100 -0.250 0.000 0.849 249 R CB 2.094 32.299 30.300 -0.158 0.000 1.171 249 R HN 0.279 8.479 8.270 -0.118 0.000 0.458 250 P HA 0.031 nan 4.420 nan 0.000 0.277 250 P C -1.371 176.082 177.300 0.254 0.000 1.276 250 P CA -0.738 62.350 63.100 -0.020 0.000 0.788 250 P CB 0.573 32.316 31.700 0.072 0.000 1.114 251 E N -2.984 117.492 120.200 0.459 0.000 2.331 251 E HA -0.168 nan 4.350 nan 0.000 0.272 251 E C 0.436 177.340 176.600 0.508 0.000 1.036 251 E CA -0.865 55.782 56.400 0.412 0.000 0.864 251 E CB -0.279 29.561 29.700 0.235 0.000 1.035 251 E HN -0.094 8.538 8.360 0.453 0.000 0.408 252 G N 3.769 112.802 108.800 0.389 0.000 2.326 252 G HA2 -0.454 nan 3.960 nan 0.000 0.286 252 G HA3 -0.454 nan 3.960 nan 0.000 0.286 252 G C -1.731 173.230 174.900 0.102 0.000 1.096 252 G CA 0.354 45.557 45.100 0.171 0.000 1.003 252 G HN 0.330 8.823 8.290 0.339 0.000 0.503 253 Y N -1.282 119.026 120.300 0.013 0.000 2.393 253 Y HA 0.193 nan 4.550 nan 0.000 0.341 253 Y C -0.943 174.915 175.900 -0.069 0.000 0.988 253 Y CA -2.507 55.590 58.100 -0.005 0.000 1.078 253 Y CB 2.113 40.579 38.460 0.011 0.000 1.203 253 Y HN -0.851 7.804 8.280 0.626 0.000 0.453 254 S N 1.673 117.428 115.700 0.092 0.000 2.652 254 S HA 0.283 nan 4.470 nan 0.000 0.270 254 S C -0.960 173.450 174.600 -0.317 0.000 1.243 254 S CA -1.693 56.489 58.200 -0.031 0.000 0.999 254 S CB 0.888 64.091 63.200 0.005 0.000 0.973 254 S HN 0.131 8.497 8.310 0.093 0.000 0.544 255 I N 3.808 124.287 120.570 -0.152 0.000 2.634 255 I HA -0.012 nan 4.170 nan 0.000 0.284 255 I C -1.704 174.316 176.117 -0.162 0.000 1.124 255 I CA 0.011 61.217 61.300 -0.157 0.000 1.417 255 I CB 0.728 38.728 38.000 -0.000 0.000 1.396 255 I HN 0.428 8.643 8.210 0.008 0.000 0.571 256 H N 6.513 125.636 119.070 0.087 0.000 2.797 256 H HA 0.230 nan 4.556 nan 0.000 0.372 256 H C -1.802 173.555 175.328 0.048 0.000 1.168 256 H CA -1.849 54.245 56.048 0.077 0.000 1.163 256 H CB 2.679 32.498 29.762 0.096 0.000 1.778 256 H HN -0.020 8.286 8.280 0.043 0.000 0.551 257 D N 0.640 121.142 120.400 0.169 0.000 2.372 257 D HA 0.293 nan 4.640 nan 0.000 0.243 257 D C -0.791 175.554 176.300 0.076 0.000 1.121 257 D CA 0.513 54.553 54.000 0.067 0.000 0.898 257 D CB 0.734 41.546 40.800 0.020 0.000 1.202 257 D HN 0.126 8.605 8.370 0.181 0.000 0.428 258 L N 0.644 121.893 121.223 0.044 0.000 2.304 258 L HA 0.338 nan 4.340 nan 0.000 0.268 258 L C 0.134 177.025 176.870 0.035 0.000 1.010 258 L CA -1.357 53.523 54.840 0.068 0.000 0.813 258 L CB 2.428 44.551 42.059 0.107 0.000 1.315 258 L HN 0.657 8.887 8.230 -0.000 0.000 0.445 259 S N 0.493 116.225 115.700 0.055 0.000 2.368 259 S HA -0.257 nan 4.470 nan 0.000 0.225 259 S C 0.979 175.597 174.600 0.031 0.000 1.030 259 S CA 3.386 61.608 58.200 0.037 0.000 0.999 259 S CB 0.163 63.389 63.200 0.044 0.000 0.844 259 S HN 1.048 9.403 8.310 0.076 0.000 0.459 260 D N -1.629 118.818 120.400 0.078 0.000 2.117 260 D HA -0.050 nan 4.640 nan 0.000 0.198 260 D C -0.909 175.304 176.300 -0.145 0.000 0.982 260 D CA 1.783 55.846 54.000 0.104 0.000 0.828 260 D CB 0.536 41.599 40.800 0.438 0.000 0.967 260 D HN 0.160 8.601 8.370 0.117 -0.001 0.464 261 V N -2.680 117.083 119.914 -0.252 0.000 2.851 261 V HA 0.198 nan 4.120 nan 0.000 0.307 261 V C -2.101 173.840 176.094 -0.254 0.000 1.129 261 V CA -1.936 60.107 62.300 -0.428 0.000 0.932 261 V CB 3.695 34.949 31.823 -0.949 0.000 1.024 261 V HN -0.555 7.467 8.190 -0.117 0.097 0.426 262 D N 3.838 124.086 120.400 -0.253 0.000 2.350 262 D HA 0.161 nan 4.640 nan 0.000 0.249 262 D C 1.499 177.639 176.300 -0.267 0.000 1.119 262 D CA -0.503 53.370 54.000 -0.210 0.000 0.886 262 D CB 0.526 41.219 40.800 -0.177 0.000 1.195 262 D HN -0.033 8.179 8.370 -0.264 0.000 0.437 263 V N 3.201 123.018 119.914 -0.161 0.000 2.546 263 V HA -0.492 nan 4.120 nan 0.000 0.254 263 V C 1.704 177.611 176.094 -0.312 0.000 1.076 263 V CA 4.083 66.293 62.300 -0.149 0.000 1.087 263 V CB -1.183 30.635 31.823 -0.009 0.000 0.674 263 V HN 0.498 8.925 8.190 -0.093 -0.293 0.470 264 Q N -0.700 118.923 119.800 -0.294 0.000 2.062 264 Q HA -0.448 nan 4.340 nan 0.000 0.209 264 Q C 1.713 177.408 176.000 -0.508 0.000 0.996 264 Q CA 3.600 59.200 55.803 -0.338 0.000 0.859 264 Q CB -0.631 27.951 28.738 -0.259 0.000 0.920 264 Q HN 0.085 8.186 8.270 -0.223 0.035 0.415 265 D N -0.671 119.335 120.400 -0.658 0.000 2.178 265 D HA -0.201 nan 4.640 nan 0.000 0.202 265 D C 2.436 177.760 176.300 -1.626 0.000 0.974 265 D CA 2.946 56.257 54.000 -1.147 0.000 0.841 265 D CB -0.651 39.430 40.800 -1.199 0.000 0.953 265 D HN -0.384 7.549 8.370 -0.549 0.107 0.478 266 M N -0.656 118.352 119.600 -0.986 0.000 2.086 266 M HA -0.275 nan 4.480 nan 0.000 0.261 266 M C 2.356 178.403 176.300 -0.422 0.000 1.067 266 M CA 2.876 57.924 55.300 -0.420 0.000 1.116 266 M CB -0.786 31.750 32.600 -0.106 0.000 1.348 266 M HN -0.702 7.010 8.290 -0.760 0.122 0.407 267 V N -0.330 119.168 119.914 -0.693 0.000 2.255 267 V HA -0.531 nan 4.120 nan 0.000 0.247 267 V C 2.248 178.141 176.094 -0.334 0.000 1.051 267 V CA 4.618 66.551 62.300 -0.610 0.000 1.018 267 V CB -1.281 30.206 31.823 -0.560 0.000 0.641 267 V HN -0.107 7.574 8.190 -0.707 0.085 0.445 268 R N -1.092 119.168 120.500 -0.400 0.000 2.083 268 R HA -0.379 nan 4.340 nan 0.000 0.237 268 R C 2.320 178.519 176.300 -0.169 0.000 1.137 268 R CA 3.670 59.586 56.100 -0.308 0.000 0.951 268 R CB -0.238 29.824 30.300 -0.397 0.000 0.851 268 R HN -0.011 7.949 8.270 -0.517 0.000 0.434 269 W N -1.565 119.669 121.300 -0.109 0.000 2.335 269 W HA -0.235 nan 4.660 nan 0.000 0.311 269 W C 2.163 178.672 176.519 -0.018 0.000 1.213 269 W CA 1.936 59.238 57.345 -0.071 0.000 1.274 269 W CB -0.860 28.617 29.460 0.029 0.000 1.148 269 W HN 0.313 8.203 8.180 -0.483 0.000 0.498 270 R N -1.252 119.390 120.500 0.237 0.000 2.148 270 R HA -0.309 nan 4.340 nan 0.000 0.227 270 R C 2.309 178.656 176.300 0.080 0.000 1.103 270 R CA 2.884 59.097 56.100 0.188 0.000 0.983 270 R CB -0.520 29.965 30.300 0.308 0.000 0.874 270 R HN -0.450 7.924 8.270 0.183 0.006 0.451 271 E N -0.308 119.903 120.200 0.019 0.000 2.072 271 E HA -0.264 nan 4.350 nan 0.000 0.191 271 E C 2.534 179.141 176.600 0.011 0.000 0.985 271 E CA 2.688 59.088 56.400 -0.000 0.000 0.801 271 E CB -0.643 29.037 29.700 -0.033 0.000 0.750 271 E HN -0.099 8.162 8.360 -0.017 0.089 0.452 272 R N -0.655 119.840 120.500 -0.008 0.000 2.081 272 R HA -0.271 nan 4.340 nan 0.000 0.235 272 R C 2.693 179.068 176.300 0.125 0.000 1.131 272 R CA 3.333 59.414 56.100 -0.031 0.000 0.960 272 R CB -0.069 29.993 30.300 -0.396 0.000 0.856 272 R HN 0.061 8.248 8.270 -0.025 0.068 0.436 273 I N -0.433 120.218 120.570 0.136 0.000 2.226 273 I HA -0.464 nan 4.170 nan 0.000 0.245 273 I C 1.731 177.851 176.117 0.005 0.000 1.100 273 I CA 3.905 65.257 61.300 0.087 0.000 1.374 273 I CB -0.200 37.800 38.000 0.000 0.000 1.057 273 I HN 0.183 8.454 8.210 0.115 0.009 0.413 274 L N -1.225 119.995 121.223 -0.006 0.000 2.083 274 L HA -0.492 nan 4.340 nan 0.000 0.209 274 L C 1.962 178.808 176.870 -0.039 0.000 1.083 274 L CA 3.175 57.992 54.840 -0.037 0.000 0.752 274 L CB -0.803 41.243 42.059 -0.022 0.000 0.899 274 L HN -0.686 7.476 8.230 0.014 0.076 0.433 275 D N -0.667 119.729 120.400 -0.007 0.000 2.097 275 D HA -0.312 nan 4.640 nan 0.000 0.195 275 D C 1.735 177.979 176.300 -0.095 0.000 0.989 275 D CA 3.241 57.226 54.000 -0.025 0.000 0.827 275 D CB -0.110 40.708 40.800 0.029 0.000 0.966 275 D HN -0.391 7.896 8.370 0.023 0.098 0.456 276 A N -0.941 121.851 122.820 -0.046 0.000 1.972 276 A HA -0.254 nan 4.320 nan 0.000 0.219 276 A C 2.346 179.810 177.584 -0.201 0.000 1.169 276 A CA 2.894 54.854 52.037 -0.128 0.000 0.635 276 A CB -0.635 18.418 19.000 0.089 0.000 0.810 276 A HN -0.552 7.633 8.150 0.059 0.000 0.446 277 I N -2.494 117.986 120.570 -0.151 0.000 2.113 277 I HA -0.575 nan 4.170 nan 0.000 0.238 277 I C 1.879 177.757 176.117 -0.398 0.000 1.070 277 I CA 4.031 65.230 61.300 -0.169 0.000 1.332 277 I CB -0.339 37.608 38.000 -0.090 0.000 1.044 277 I HN -0.331 7.806 8.210 -0.105 0.011 0.402 278 N N -1.162 117.361 118.700 -0.296 0.000 2.080 278 N HA -0.250 nan 4.740 nan 0.000 0.189 278 N C 1.925 177.286 175.510 -0.249 0.000 1.036 278 N CA 2.816 55.702 53.050 -0.274 0.000 0.846 278 N CB 0.154 38.570 38.487 -0.118 0.000 1.015 278 N HN -0.731 7.530 8.380 -0.198 0.000 0.423 279 M N -2.595 116.864 119.600 -0.234 0.000 2.530 279 M HA -0.306 nan 4.480 nan 0.000 0.261 279 M C -0.700 175.522 176.300 -0.130 0.000 1.067 279 M CA 2.868 58.038 55.300 -0.216 0.000 1.071 279 M CB -0.096 32.172 32.600 -0.554 0.000 1.405 279 M HN 0.283 8.428 8.290 -0.242 0.000 0.478 280 H N -7.969 111.006 119.070 -0.157 0.000 3.132 280 H HA -0.344 nan 4.556 nan 0.000 0.237 280 H C -1.399 173.992 175.328 0.104 0.000 1.189 280 H CA 1.265 57.303 56.048 -0.016 0.000 1.129 280 H CB -2.256 27.517 29.762 0.018 0.000 1.225 280 H HN -0.626 7.206 8.280 -0.453 0.176 0.323 281 Y N -7.929 112.426 120.300 0.091 0.000 2.624 281 Y HA 0.764 nan 4.550 nan 0.000 0.334 281 Y C -2.992 172.976 175.900 0.114 0.000 1.155 281 Y CA -2.212 55.950 58.100 0.103 0.000 1.046 281 Y CB 2.813 41.330 38.460 0.095 0.000 1.316 281 Y HN -0.584 7.375 8.280 -0.467 0.042 0.457 282 I N -4.496 116.289 120.570 0.359 0.000 2.846 282 I HA 0.744 nan 4.170 nan 0.000 0.307 282 I C -1.535 174.848 176.117 0.443 0.000 1.053 282 I CA -2.486 59.028 61.300 0.356 0.000 1.050 282 I CB 4.189 42.289 38.000 0.166 0.000 1.239 282 I HN 0.475 8.899 8.210 0.357 0.000 0.439 283 V N -2.395 117.801 119.914 0.470 0.000 2.427 283 V HA 0.479 nan 4.120 nan 0.000 0.286 283 V C -0.717 175.519 176.094 0.237 0.000 1.034 283 V CA -2.177 60.276 62.300 0.256 0.000 0.893 283 V CB 0.019 31.879 31.823 0.062 0.000 0.982 283 V HN 0.416 9.021 8.190 0.693 0.000 0.452 284 D N 5.300 125.785 120.400 0.143 0.000 2.433 284 D HA 0.273 nan 4.640 nan 0.000 0.255 284 D C 1.939 178.284 176.300 0.075 0.000 1.226 284 D CA -1.026 53.047 54.000 0.123 0.000 1.015 284 D CB 1.579 42.427 40.800 0.081 0.000 1.091 284 D HN 0.532 8.858 8.370 0.106 0.107 0.527 285 K N 0.601 121.043 120.400 0.070 0.000 2.097 285 K HA -0.288 nan 4.320 nan 0.000 0.206 285 K C 0.855 177.466 176.600 0.018 0.000 1.049 285 K CA 2.890 59.203 56.287 0.044 0.000 0.933 285 K CB -0.535 31.993 32.500 0.047 0.000 0.717 285 K HN 0.273 8.574 8.250 0.084 0.000 0.442 286 D N -5.417 114.995 120.400 0.020 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.174 176.123 176.300 -0.005 0.000 0.968 286 D CA 0.108 54.113 54.000 0.007 0.000 0.894 286 D CB -1.082 39.724 40.800 0.009 0.000 0.909 286 D HN -0.332 8.032 8.370 0.031 0.025 0.520 287 N N -3.101 115.594 118.700 -0.008 0.000 2.901 287 N HA -0.461 nan 4.740 nan 0.000 0.248 287 N C -1.355 174.140 175.510 -0.026 0.000 1.044 287 N CA 1.224 54.257 53.050 -0.029 0.000 0.847 287 N CB -1.479 36.984 38.487 -0.041 0.000 1.127 287 N HN 0.101 8.256 8.380 0.005 0.227 0.562 288 N N -0.857 117.838 118.700 -0.008 0.000 2.476 288 N HA 0.130 nan 4.740 nan 0.000 0.275 288 N C -1.307 174.201 175.510 -0.003 0.000 1.190 288 N CA 0.135 53.175 53.050 -0.017 0.000 0.977 288 N CB 1.712 40.194 38.487 -0.007 0.000 1.200 288 N HN 0.026 8.729 8.380 0.009 -0.317 0.515 289 K N 0.410 120.786 120.400 -0.039 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.011 175.614 176.600 0.041 0.000 0.957 289 K CA -0.874 55.407 56.287 -0.009 0.000 0.842 289 K CB 1.344 33.691 32.500 -0.254 0.000 1.099 289 K HN 0.021 8.234 8.250 -0.062 0.000 0.438 290 I N -0.767 119.877 120.570 0.124 0.000 2.474 290 I HA 0.620 nan 4.170 nan 0.000 0.294 290 I C -2.373 173.840 176.117 0.159 0.000 1.005 290 I CA -3.529 57.830 61.300 0.099 0.000 1.113 290 I CB 2.185 40.230 38.000 0.074 0.000 1.289 290 I HN 0.567 8.892 8.210 0.191 0.000 0.436 291 P HA 0.189 nan 4.420 nan 0.000 0.275 291 P C -0.982 176.439 177.300 0.201 0.000 1.228 291 P CA -0.582 62.631 63.100 0.188 0.000 0.786 291 P CB 0.301 32.090 31.700 0.149 0.000 0.927 292 L N 3.379 124.756 121.223 0.256 0.000 2.387 292 L HA -0.039 nan 4.340 nan 0.000 0.267 292 L C -0.526 176.587 176.870 0.405 0.000 1.197 292 L CA -0.717 54.324 54.840 0.335 0.000 1.070 292 L CB -1.183 41.150 42.059 0.457 0.000 1.349 292 L HN 0.047 8.437 8.230 0.267 0.000 0.422 293 D N 4.347 124.963 120.400 0.361 0.000 2.357 293 D HA 0.001 nan 4.640 nan 0.000 0.242 293 D C 1.064 177.661 176.300 0.495 0.000 1.153 293 D CA -0.605 53.621 54.000 0.377 0.000 0.918 293 D CB 2.220 43.256 40.800 0.394 0.000 1.181 293 D HN -0.402 8.115 8.370 0.299 0.033 0.435 294 I N 2.622 123.484 120.570 0.486 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.465 177.672 176.117 0.149 0.000 1.100 294 I CA 3.499 65.092 61.300 0.488 0.000 1.374 294 I CB 0.036 38.261 38.000 0.375 0.000 1.057 294 I HN 0.147 8.591 8.210 0.390 0.000 0.413 295 E N -1.321 118.951 120.200 0.121 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.587 178.105 176.600 -0.136 0.000 0.988 295 E CA 2.583 58.939 56.400 -0.073 0.000 0.799 295 E CB -0.148 29.417 29.700 -0.226 0.000 0.755 295 E HN 0.310 8.933 8.360 0.195 -0.146 0.447 296 H N -2.098 117.030 119.070 0.096 0.000 2.470 296 H HA -0.013 nan 4.556 nan 0.000 0.289 296 H C 1.856 177.231 175.328 0.079 0.000 1.033 296 H CA 1.593 57.690 56.048 0.082 0.000 1.331 296 H CB -0.283 29.531 29.762 0.088 0.000 1.414 296 H HN -0.053 8.361 8.280 0.223 0.000 0.545 297 G N -1.006 107.951 108.800 0.261 0.000 2.476 297 G HA2 -0.411 nan 3.960 nan 0.000 0.218 297 G HA3 -0.411 nan 3.960 nan 0.000 0.218 297 G C 0.724 175.576 174.900 -0.080 0.000 1.164 297 G CA 2.707 47.935 45.100 0.214 0.000 0.768 297 G HN 0.331 8.670 8.290 0.302 0.132 0.560 298 T N 3.309 117.830 114.554 -0.056 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.750 176.441 174.700 -0.015 0.000 1.039 298 T CA 4.951 66.985 62.100 -0.110 0.000 1.142 298 T CB -0.538 68.267 68.868 -0.105 0.000 0.866 298 T HN -0.052 8.193 8.240 0.007 0.000 0.444 299 D N 1.922 122.335 120.400 0.022 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.957 176.300 0.056 0.000 0.989 299 D CA 2.932 56.968 54.000 0.059 0.000 0.827 299 D CB -0.326 40.515 40.800 0.070 0.000 0.966 299 D HN -0.447 7.917 8.370 0.025 0.021 0.456 300 I N -2.708 117.884 120.570 0.038 0.000 2.226 300 I HA -0.381 nan 4.170 nan 0.000 0.245 300 I C 1.671 177.757 176.117 -0.052 0.000 1.100 300 I CA 3.366 64.670 61.300 0.008 0.000 1.374 300 I CB -0.287 37.721 38.000 0.014 0.000 1.057 300 I HN -0.509 7.733 8.210 0.054 0.000 0.413 301 L N 0.413 121.579 121.223 -0.095 0.000 2.093 301 L HA -0.211 nan 4.340 nan 0.000 0.208 301 L C 1.868 178.750 176.870 0.020 0.000 1.085 301 L CA 2.732 57.487 54.840 -0.141 0.000 0.755 301 L CB -0.655 41.251 42.059 -0.255 0.000 0.904 301 L HN -0.107 7.972 8.230 -0.106 0.088 0.435 302 G N -2.406 106.504 108.800 0.182 0.000 2.418 302 G HA2 -0.493 nan 3.960 nan 0.000 0.217 302 G HA3 -0.493 nan 3.960 nan 0.000 0.217 302 G C 0.616 175.554 174.900 0.063 0.000 1.158 302 G CA 2.611 47.892 45.100 0.302 0.000 0.771 302 G HN 0.289 8.536 8.290 0.127 0.120 0.545 303 D N 1.236 121.648 120.400 0.020 0.000 2.144 303 D HA -0.305 nan 4.640 nan 0.000 0.200 303 D C 2.373 178.636 176.300 -0.062 0.000 0.978 303 D CA 2.834 56.820 54.000 -0.023 0.000 0.833 303 D CB -0.479 40.327 40.800 0.011 0.000 0.961 303 D HN -0.275 8.120 8.370 0.042 0.000 0.470 304 I N -0.001 120.517 120.570 -0.086 0.000 2.252 304 I HA -0.360 nan 4.170 nan 0.000 0.245 304 I C 1.737 177.794 176.117 -0.100 0.000 1.102 304 I CA 3.657 64.879 61.300 -0.130 0.000 1.385 304 I CB 0.052 37.870 38.000 -0.304 0.000 1.064 304 I HN -0.717 7.443 8.210 -0.085 0.000 0.414 305 I N -0.930 119.592 120.570 -0.081 0.000 2.252 305 I HA -0.416 nan 4.170 nan 0.000 0.245 305 I C 1.087 177.215 176.117 0.020 0.000 1.102 305 I CA 1.711 63.004 61.300 -0.012 0.000 1.385 305 I CB -0.312 37.693 38.000 0.009 0.000 1.064 305 I HN 0.008 8.172 8.210 -0.076 0.000 0.414 306 E N -0.488 119.608 120.200 -0.173 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.978 175.598 176.600 -0.040 0.000 1.003 306 E CA 3.880 60.067 56.400 -0.355 0.000 0.809 306 E CB 0.092 29.359 29.700 -0.723 0.000 0.755 306 E HN -0.440 7.801 8.360 -0.198 0.000 0.449 307 S N -3.899 111.761 115.700 -0.067 0.000 2.638 307 S HA 0.440 nan 4.470 nan 0.000 0.298 307 S C -0.613 173.938 174.600 -0.082 0.000 1.111 307 S CA -2.029 56.111 58.200 -0.100 0.000 1.027 307 S CB 2.395 65.549 63.200 -0.076 0.000 1.064 307 S HN -0.728 7.545 8.310 -0.062 0.000 0.525 308 S N 0.446 116.110 115.700 -0.060 0.000 2.738 308 S HA 0.442 nan 4.470 nan 0.000 0.284 308 S C 1.174 175.781 174.600 0.012 0.000 1.146 308 S CA -0.976 57.219 58.200 -0.007 0.000 0.997 308 S CB 2.199 65.415 63.200 0.027 0.000 1.081 308 S HN 0.625 8.776 8.310 -0.067 0.118 0.553 309 D N 1.674 122.097 120.400 0.039 0.000 2.219 309 D HA -0.139 nan 4.640 nan 0.000 0.205 309 D C 0.477 176.803 176.300 0.043 0.000 0.970 309 D CA 2.519 56.540 54.000 0.035 0.000 0.851 309 D CB -0.348 40.473 40.800 0.034 0.000 0.943 309 D HN 0.309 8.713 8.370 0.057 0.000 0.488 310 E N -2.688 117.548 120.200 0.059 0.000 2.338 310 E HA -0.112 nan 4.350 nan 0.000 0.197 310 E C -0.103 176.526 176.600 0.048 0.000 1.007 310 E CA 0.655 57.093 56.400 0.064 0.000 0.849 310 E CB 0.158 29.908 29.700 0.083 0.000 0.774 310 E HN -0.643 7.704 8.360 0.066 0.053 0.506 311 S N -1.310 114.409 115.700 0.033 0.000 2.593 311 S HA -0.246 nan 4.470 nan 0.000 0.300 311 S C 0.684 175.323 174.600 0.065 0.000 1.267 311 S CA 0.154 58.372 58.200 0.031 0.000 1.065 311 S CB 0.498 63.715 63.200 0.027 0.000 0.807 311 S HN -0.734 7.423 8.310 0.026 0.168 0.499 312 K N 3.942 124.387 120.400 0.074 0.000 2.148 312 K HA -0.231 nan 4.320 nan 0.000 0.204 312 K C -0.293 176.409 176.600 0.171 0.000 1.050 312 K CA 2.084 58.437 56.287 0.110 0.000 0.942 312 K CB 0.459 33.022 32.500 0.105 0.000 0.724 312 K HN -0.066 8.343 8.250 0.035 -0.138 0.446 313 N N -2.963 115.901 118.700 0.272 0.000 2.558 313 N HA 0.183 nan 4.740 nan 0.000 0.285 313 N C 0.318 176.012 175.510 0.306 0.000 1.112 313 N CA -0.867 52.367 53.050 0.307 0.000 0.857 313 N CB 1.522 40.229 38.487 0.366 0.000 1.376 313 N HN -0.763 7.775 8.380 0.278 0.009 0.526 314 V N 1.144 121.153 119.914 0.158 0.000 2.453 314 V HA -0.070 nan 4.120 nan 0.000 0.247 314 V C 1.253 177.396 176.094 0.082 0.000 1.048 314 V CA 2.685 65.038 62.300 0.089 0.000 1.049 314 V CB -0.387 31.463 31.823 0.045 0.000 0.672 314 V HN 0.579 8.847 8.190 0.129 0.000 0.457 315 E N 0.688 120.957 120.200 0.114 0.000 2.152 315 E HA -0.378 nan 4.350 nan 0.000 0.192 315 E C 1.078 177.785 176.600 0.177 0.000 0.983 315 E CA 2.541 59.017 56.400 0.126 0.000 0.818 315 E CB -0.316 29.447 29.700 0.105 0.000 0.758 315 E HN -0.191 8.421 8.360 0.124 -0.178 0.467 316 Y N -0.439 119.849 120.300 -0.020 0.000 2.163 316 Y HA -0.286 nan 4.550 nan 0.000 0.288 316 Y C 1.547 177.426 175.900 -0.035 0.000 1.112 316 Y CA 2.619 60.649 58.100 -0.116 0.000 1.104 316 Y CB 1.333 39.556 38.460 -0.395 0.000 1.016 316 Y HN -0.333 8.407 8.280 0.208 -0.336 0.497 317 Y N -4.064 116.231 120.300 -0.008 0.000 2.395 317 Y HA -0.220 nan 4.550 nan 0.000 0.293 317 Y C 0.443 176.090 175.900 -0.422 0.000 1.123 317 Y CA 2.596 60.597 58.100 -0.164 0.000 1.227 317 Y CB 0.604 39.026 38.460 -0.063 0.000 1.012 317 Y HN -0.761 7.602 8.280 0.139 0.000 0.552 318 G N -2.658 105.902 108.800 -0.400 0.000 2.584 318 G HA2 -0.328 nan 3.960 nan 0.000 0.229 318 G HA3 -0.328 nan 3.960 nan 0.000 0.229 318 G C -2.517 171.995 174.900 -0.647 0.000 1.320 318 G CA -0.054 44.412 45.100 -1.056 0.000 0.891 318 G HN -0.285 7.810 8.290 -0.130 0.117 0.573 319 S N -1.993 113.278 115.700 -0.715 0.000 2.389 319 S HA 0.162 nan 4.470 nan 0.000 0.201 319 S C 0.082 174.709 174.600 0.045 0.000 1.422 319 S CA -1.543 56.523 58.200 -0.224 0.000 1.216 319 S CB 0.920 63.987 63.200 -0.221 0.000 1.130 319 S HN -0.106 7.419 8.310 -1.308 0.000 0.465 320 L N 5.981 127.327 121.223 0.204 0.000 1.994 320 L HA -0.271 nan 4.340 nan 0.000 0.208 320 L C 0.533 177.753 176.870 0.583 0.000 1.071 320 L CA 2.831 58.000 54.840 0.548 0.000 0.745 320 L CB 0.006 42.413 42.059 0.580 0.000 0.892 320 L HN 0.346 8.642 8.230 0.109 0.000 0.431 321 H N -0.363 118.962 119.070 0.425 0.000 2.293 321 H HA -0.404 nan 4.556 nan 0.000 0.300 321 H C 2.216 177.678 175.328 0.223 0.000 1.082 321 H CA 4.401 60.756 56.048 0.512 0.000 1.308 321 H CB 0.077 30.091 29.762 0.421 0.000 1.375 321 H HN -0.241 8.323 8.280 0.473 0.000 0.495 322 N N -0.861 117.979 118.700 0.232 0.000 2.120 322 N HA -0.334 nan 4.740 nan 0.000 0.188 322 N C 2.316 177.721 175.510 -0.175 0.000 1.024 322 N CA 3.007 56.096 53.050 0.066 0.000 0.852 322 N CB -0.526 37.982 38.487 0.035 0.000 1.003 322 N HN -0.236 8.327 8.380 0.305 0.000 0.424 323 W N -0.781 120.506 121.300 -0.021 0.000 2.374 323 W HA -0.205 nan 4.660 nan 0.000 0.288 323 W C 1.840 178.208 176.519 -0.252 0.000 1.218 323 W CA 2.860 60.185 57.345 -0.034 0.000 1.245 323 W CB -0.204 29.344 29.460 0.147 0.000 1.126 323 W HN -0.204 8.021 8.180 0.076 0.000 0.545 324 G N -2.004 106.572 108.800 -0.373 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 0.995 175.289 174.900 -1.009 0.000 1.158 324 G CA 2.234 46.642 45.100 -1.154 0.000 0.771 324 G HN 0.191 8.269 8.290 -0.210 0.087 0.545 325 H N 2.290 120.790 119.070 -0.950 0.000 2.353 325 H HA -0.211 nan 4.556 nan 0.000 0.300 325 H C 2.550 177.666 175.328 -0.353 0.000 1.090 325 H CA 3.975 59.565 56.048 -0.765 0.000 1.327 325 H CB 0.126 29.154 29.762 -1.222 0.000 1.383 325 H HN -0.625 7.095 8.280 -0.733 0.120 0.508 326 V N 0.152 120.032 119.914 -0.056 0.000 2.295 326 V HA -0.456 nan 4.120 nan 0.000 0.246 326 V C 2.117 178.255 176.094 0.073 0.000 1.049 326 V CA 4.692 67.054 62.300 0.103 0.000 1.024 326 V CB -0.750 31.242 31.823 0.281 0.000 0.648 326 V HN -0.323 7.697 8.190 -0.096 0.112 0.447 327 M N -2.280 117.334 119.600 0.023 0.000 2.117 327 M HA -0.347 nan 4.480 nan 0.000 0.262 327 M C 1.940 178.178 176.300 -0.103 0.000 1.065 327 M CA 3.607 58.902 55.300 -0.009 0.000 1.114 327 M CB -0.048 32.523 32.600 -0.048 0.000 1.361 327 M HN 0.055 8.240 8.290 0.002 0.106 0.408 328 M N -1.986 117.469 119.600 -0.242 0.000 2.175 328 M HA -0.193 nan 4.480 nan 0.000 0.264 328 M C 2.684 178.900 176.300 -0.141 0.000 1.063 328 M CA 2.710 57.855 55.300 -0.259 0.000 1.119 328 M CB 0.361 32.720 32.600 -0.402 0.000 1.377 328 M HN -0.371 7.716 8.290 -0.337 0.000 0.415 329 A N -1.202 121.567 122.820 -0.086 0.000 1.933 329 A HA -0.241 nan 4.320 nan 0.000 0.218 329 A C 0.676 178.267 177.584 0.012 0.000 1.175 329 A CA 2.882 54.914 52.037 -0.008 0.000 0.628 329 A CB -0.291 18.740 19.000 0.052 0.000 0.814 329 A HN 0.248 8.247 8.150 -0.105 0.088 0.444 330 N N -4.189 114.528 118.700 0.028 0.000 2.538 330 N HA 0.066 nan 4.740 nan 0.000 0.291 330 N C 0.211 175.746 175.510 0.041 0.000 1.323 330 N CA -1.796 51.286 53.050 0.054 0.000 0.934 330 N CB -0.854 37.702 38.487 0.114 0.000 1.255 330 N HN -0.445 7.953 8.380 0.029 0.000 0.509 331 I N 1.106 121.667 120.570 -0.016 0.000 2.286 331 I HA -0.328 nan 4.170 nan 0.000 0.248 331 I C 0.472 176.572 176.117 -0.029 0.000 1.115 331 I CA 2.551 63.843 61.300 -0.013 0.000 1.392 331 I CB 0.113 38.058 38.000 -0.092 0.000 1.065 331 I HN -0.737 7.361 8.210 -0.043 0.086 0.418 332 T N -1.243 113.228 114.554 -0.139 0.000 2.788 332 T HA -0.245 nan 4.350 nan 0.000 0.268 332 T C -0.446 174.183 174.700 -0.118 0.000 1.044 332 T CA 2.489 64.441 62.100 -0.247 0.000 1.139 332 T CB -0.120 68.577 68.868 -0.285 0.000 0.867 332 T HN 0.125 8.261 8.240 -0.115 0.035 0.454 333 D N -1.138 119.273 120.400 0.018 0.000 2.621 333 D HA 0.478 nan 4.640 nan 0.000 0.274 333 D C -0.736 175.674 176.300 0.183 0.000 1.215 333 D CA -3.019 51.074 54.000 0.156 0.000 0.810 333 D CB 0.511 41.425 40.800 0.190 0.000 1.248 333 D HN -0.844 7.447 8.370 0.026 0.095 0.517 334 P HA -0.258 nan 4.420 nan 0.000 0.216 334 P C 0.636 178.032 177.300 0.161 0.000 1.150 334 P CA 1.956 65.156 63.100 0.167 0.000 0.837 334 P CB 0.347 32.156 31.700 0.180 0.000 0.786 335 D N -3.255 117.238 120.400 0.154 0.000 2.183 335 D HA -0.244 nan 4.640 nan 0.000 0.203 335 D C 0.243 176.660 176.300 0.194 0.000 0.969 335 D CA 0.741 54.817 54.000 0.127 0.000 0.842 335 D CB 0.288 41.131 40.800 0.072 0.000 0.957 335 D HN -0.246 8.201 8.370 0.165 0.022 0.484 336 H N -4.154 114.972 119.070 0.093 0.000 2.992 336 H HA -0.297 nan 4.556 nan 0.000 0.266 336 H C -0.568 174.781 175.328 0.034 0.000 1.200 336 H CA 0.761 56.858 56.048 0.082 0.000 1.135 336 H CB -1.061 28.735 29.762 0.057 0.000 1.282 336 H HN -0.355 8.113 8.280 0.235 -0.047 0.351 337 R N -3.169 117.314 120.500 -0.028 0.000 2.092 337 R HA -0.178 nan 4.340 nan 0.000 0.231 337 R C 0.998 177.117 176.300 -0.302 0.000 1.119 337 R CA 1.980 57.966 56.100 -0.189 0.000 0.970 337 R CB -0.068 30.044 30.300 -0.313 0.000 0.864 337 R HN -0.286 8.097 8.270 0.027 -0.096 0.440 338 F N -0.116 119.764 119.950 -0.118 0.000 2.234 338 F HA -0.191 nan 4.527 nan 0.000 0.299 338 F C 0.224 175.898 175.800 -0.208 0.000 1.087 338 F CA 1.881 59.804 58.000 -0.129 0.000 1.340 338 F CB 0.332 39.269 39.000 -0.105 0.000 1.031 338 F HN -0.432 8.226 8.300 -0.035 -0.379 0.500 339 Q N -5.334 114.299 119.800 -0.278 0.000 2.470 339 Q HA -0.426 nan 4.340 nan 0.000 0.294 339 Q C -1.228 174.651 176.000 -0.201 0.000 1.356 339 Q CA 0.898 56.437 55.803 -0.442 0.000 0.805 339 Q CB -2.237 26.385 28.738 -0.193 0.000 1.157 339 Q HN -0.418 7.717 8.270 -0.374 -0.090 0.431 340 E N -2.052 118.058 120.200 -0.149 0.000 2.222 340 E HA 0.215 nan 4.350 nan 0.000 0.272 340 E C -1.392 175.192 176.600 -0.028 0.000 0.982 340 E CA -1.668 54.696 56.400 -0.059 0.000 0.842 340 E CB 1.938 31.604 29.700 -0.056 0.000 1.144 340 E HN -0.592 7.650 8.360 -0.197 0.000 0.397 341 N N 1.559 120.246 118.700 -0.020 0.000 2.467 341 N HA 0.228 nan 4.740 nan 0.000 0.262 341 N C -1.239 174.288 175.510 0.029 0.000 1.234 341 N CA -1.423 51.627 53.050 -0.001 0.000 0.952 341 N CB -0.292 38.148 38.487 -0.079 0.000 1.158 341 N HN 0.213 8.569 8.380 -0.040 0.000 0.463 342 P HA 0.027 nan 4.420 nan 0.000 0.274 342 P C -0.766 176.646 177.300 0.187 0.000 1.256 342 P CA -0.423 62.741 63.100 0.107 0.000 0.795 342 P CB 0.878 32.643 31.700 0.109 0.000 1.038 343 G N -1.254 107.642 108.800 0.160 0.000 2.535 343 G HA2 0.197 nan 3.960 nan 0.000 0.282 343 G HA3 0.197 nan 3.960 nan 0.000 0.282 343 G C 0.549 175.562 174.900 0.188 0.000 1.350 343 G CA -1.608 43.600 45.100 0.180 0.000 1.039 343 G HN -0.264 7.975 8.290 0.095 0.107 0.509 344 V N -5.558 114.342 119.914 -0.024 0.000 2.720 344 V HA -0.329 nan 4.120 nan 0.000 0.256 344 V C 1.859 177.935 176.094 -0.030 0.000 1.082 344 V CA 2.808 64.955 62.300 -0.254 0.000 1.101 344 V CB -0.419 31.260 31.823 -0.241 0.000 0.693 344 V HN 0.547 8.748 8.190 0.018 0.000 0.479 345 M N 0.528 120.165 119.600 0.062 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.600 178.077 176.300 0.294 0.000 1.062 345 M CA 2.239 57.635 55.300 0.161 0.000 1.099 345 M CB -0.936 31.678 32.600 0.023 0.000 1.394 345 M HN -0.262 7.997 8.290 0.043 0.056 0.426 346 S N -0.609 115.226 115.700 0.225 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.742 174.009 174.600 0.253 0.000 1.006 346 S CA 3.442 61.789 58.200 0.245 0.000 0.957 346 S CB 0.161 63.461 63.200 0.167 0.000 0.773 346 S HN -0.559 7.812 8.310 0.170 0.041 0.507 347 D N -2.553 117.993 120.400 0.243 0.000 2.350 347 D HA 0.342 nan 4.640 nan 0.000 0.245 347 D C -0.386 176.078 176.300 0.274 0.000 1.036 347 D CA -1.128 53.009 54.000 0.228 0.000 0.848 347 D CB 2.938 43.872 40.800 0.224 0.000 1.307 347 D HN -0.651 7.700 8.370 0.202 0.140 0.469 348 T N 4.061 118.769 114.554 0.256 0.000 2.915 348 T HA -0.078 nan 4.350 nan 0.000 0.269 348 T C 2.204 177.214 174.700 0.516 0.000 1.071 348 T CA 3.689 66.014 62.100 0.375 0.000 1.132 348 T CB -0.235 68.621 68.868 -0.020 0.000 0.878 348 T HN 0.349 8.718 8.240 0.214 0.000 0.479 349 S N 1.487 117.443 115.700 0.426 0.000 2.371 349 S HA -0.177 nan 4.470 nan 0.000 0.224 349 S C 0.973 175.536 174.600 -0.060 0.000 1.029 349 S CA 3.606 61.920 58.200 0.189 0.000 0.978 349 S CB 0.024 63.216 63.200 -0.012 0.000 0.833 349 S HN -0.254 8.618 8.310 0.487 -0.270 0.466 350 T N -5.153 109.347 114.554 -0.090 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.391 176.994 174.700 -0.162 0.000 1.078 350 T CA 1.332 63.298 62.100 -0.222 0.000 1.132 350 T CB -0.071 68.549 68.868 -0.413 0.000 0.900 350 T HN -0.143 8.094 8.240 -0.003 0.000 0.480 351 S N 4.309 119.994 115.700 -0.025 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.075 176.529 174.600 -0.244 0.000 1.025 351 S CA 3.599 61.818 58.200 0.032 0.000 0.993 351 S CB -1.142 62.298 63.200 0.400 0.000 0.808 351 S HN 0.160 8.525 8.310 0.092 0.000 0.478 352 L N 1.687 122.594 121.223 -0.527 0.000 2.201 352 L HA -0.223 nan 4.340 nan 0.000 0.212 352 L C 1.688 178.306 176.870 -0.420 0.000 1.105 352 L CA 2.151 56.507 54.840 -0.807 0.000 0.775 352 L CB -0.761 40.907 42.059 -0.652 0.000 0.913 352 L HN -0.328 7.635 8.230 -0.392 0.032 0.440 353 R N -2.823 117.499 120.500 -0.298 0.000 2.092 353 R HA -0.279 nan 4.340 nan 0.000 0.231 353 R C 0.026 176.047 176.300 -0.466 0.000 1.119 353 R CA 2.178 58.125 56.100 -0.254 0.000 0.970 353 R CB -0.337 29.874 30.300 -0.148 0.000 0.864 353 R HN -0.120 7.942 8.270 -0.281 0.039 0.440 354 D N 0.709 120.823 120.400 -0.477 0.000 2.351 354 D HA 0.267 nan 4.640 nan 0.000 0.251 354 D C -0.779 175.351 176.300 -0.284 0.000 1.137 354 D CA -2.630 51.009 54.000 -0.602 0.000 0.879 354 D CB 0.794 41.434 40.800 -0.266 0.000 1.181 354 D HN -0.761 7.387 8.370 -0.321 0.029 0.448 355 P HA -0.028 nan 4.420 nan 0.000 0.223 355 P C 0.738 178.102 177.300 0.106 0.000 1.151 355 P CA 1.542 64.675 63.100 0.055 0.000 0.787 355 P CB 0.029 31.770 31.700 0.069 0.000 0.788 356 I N -5.127 115.446 120.570 0.006 0.000 2.454 356 I HA -0.411 nan 4.170 nan 0.000 0.254 356 I C 1.009 177.111 176.117 -0.025 0.000 1.156 356 I CA 2.935 64.224 61.300 -0.018 0.000 1.433 356 I CB -0.550 37.388 38.000 -0.103 0.000 1.082 356 I HN -0.578 7.861 8.210 -0.049 -0.257 0.432 357 F N 1.991 121.791 119.950 -0.250 0.000 2.091 357 F HA -0.488 nan 4.527 nan 0.000 0.299 357 F C 1.136 176.795 175.800 -0.235 0.000 1.103 357 F CA 4.542 62.358 58.000 -0.306 0.000 1.228 357 F CB -0.040 38.576 39.000 -0.641 0.000 0.984 357 F HN -0.513 7.641 8.300 0.001 0.146 0.477 358 Y N -3.197 117.218 120.300 0.191 0.000 2.242 358 Y HA -0.424 nan 4.550 nan 0.000 0.291 358 Y C 2.088 178.028 175.900 0.067 0.000 1.137 358 Y CA 4.025 62.158 58.100 0.057 0.000 1.181 358 Y CB -0.672 37.596 38.460 -0.320 0.000 0.989 358 Y HN -0.761 7.446 8.280 -0.092 0.018 0.527 359 R N -0.386 120.231 120.500 0.195 0.000 2.073 359 R HA -0.418 nan 4.340 nan 0.000 0.234 359 R C 2.246 178.650 176.300 0.173 0.000 1.134 359 R CA 3.531 59.747 56.100 0.194 0.000 0.952 359 R CB -0.158 30.261 30.300 0.198 0.000 0.850 359 R HN -0.622 7.669 8.270 0.179 0.085 0.433 360 W N -0.032 121.196 121.300 -0.121 0.000 2.381 360 W HA -0.330 nan 4.660 nan 0.000 0.301 360 W C 1.702 178.126 176.519 -0.159 0.000 1.205 360 W CA 3.723 60.928 57.345 -0.234 0.000 1.285 360 W CB 0.072 29.179 29.460 -0.588 0.000 1.133 360 W HN 0.077 8.321 8.180 0.106 0.000 0.521 361 H N -0.960 117.972 119.070 -0.230 0.000 2.423 361 H HA -0.282 nan 4.556 nan 0.000 0.297 361 H C 2.871 178.141 175.328 -0.098 0.000 1.075 361 H CA 5.083 61.005 56.048 -0.211 0.000 1.342 361 H CB -0.092 29.528 29.762 -0.237 0.000 1.395 361 H HN -0.110 8.177 8.280 0.012 0.000 0.530 362 R N -0.703 119.843 120.500 0.078 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.051 178.359 176.300 0.013 0.000 1.119 362 R CA 2.479 58.627 56.100 0.079 0.000 0.970 362 R CB -0.848 29.524 30.300 0.120 0.000 0.864 362 R HN 0.332 8.568 8.270 0.119 0.105 0.440 363 F N 1.511 121.336 119.950 -0.209 0.000 2.102 363 F HA -0.317 nan 4.527 nan 0.000 0.298 363 F C 1.674 177.281 175.800 -0.323 0.000 1.105 363 F CA 3.533 61.353 58.000 -0.299 0.000 1.239 363 F CB 0.100 38.767 39.000 -0.555 0.000 0.991 363 F HN -0.599 7.641 8.300 0.041 0.084 0.474 364 I N -4.990 115.330 120.570 -0.418 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.496 177.668 176.117 0.091 0.000 1.117 364 I CA 3.342 64.493 61.300 -0.247 0.000 1.404 364 I CB -0.632 37.355 38.000 -0.021 0.000 1.071 364 I HN -0.112 7.794 8.210 -0.507 0.000 0.419 365 D N 0.408 120.916 120.400 0.182 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.173 178.645 176.300 0.287 0.000 0.990 365 D CA 3.201 57.438 54.000 0.395 0.000 0.839 365 D CB -0.326 40.582 40.800 0.179 0.000 0.948 365 D HN 0.163 8.351 8.370 0.043 0.208 0.460 366 N N -0.987 117.710 118.700 -0.004 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.414 177.843 175.510 -0.134 0.000 1.019 366 N CA 3.068 56.069 53.050 -0.082 0.000 0.857 366 N CB -0.153 38.206 38.487 -0.213 0.000 0.997 366 N HN -0.112 8.101 8.380 -0.092 0.112 0.426 367 I N -0.263 120.127 120.570 -0.299 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.638 177.558 176.117 -0.328 0.000 1.100 367 I CA 3.708 64.770 61.300 -0.395 0.000 1.374 367 I CB -0.166 37.475 38.000 -0.599 0.000 1.057 367 I HN -0.430 7.424 8.210 -0.340 0.152 0.413 368 F N -1.705 118.211 119.950 -0.057 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.325 178.083 175.800 -0.071 0.000 1.090 368 F CA 4.049 61.967 58.000 -0.137 0.000 1.293 368 F CB -0.778 38.030 39.000 -0.320 0.000 1.013 368 F HN -0.832 7.340 8.300 -0.085 0.077 0.486 369 Q N -1.901 118.007 119.800 0.181 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.801 176.000 0.079 0.000 0.977 369 Q CA 3.026 58.909 55.803 0.134 0.000 0.850 369 Q CB -0.881 27.926 28.738 0.116 0.000 0.901 369 Q HN 0.176 8.481 8.270 0.223 0.099 0.429 370 E N -0.577 119.641 120.200 0.030 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.368 178.992 176.600 0.040 0.000 0.988 370 E CA 2.828 59.231 56.400 0.006 0.000 0.804 370 E CB -0.233 29.442 29.700 -0.041 0.000 0.745 370 E HN -0.148 8.123 8.360 -0.003 0.086 0.458 371 H N 0.536 119.599 119.070 -0.012 0.000 2.353 371 H HA -0.256 nan 4.556 nan 0.000 0.300 371 H C 2.359 177.850 175.328 0.272 0.000 1.090 371 H CA 3.745 59.839 56.048 0.076 0.000 1.327 371 H CB 0.151 29.951 29.762 0.063 0.000 1.383 371 H HN -0.701 7.582 8.280 0.123 0.070 0.508 372 K N -1.811 118.728 120.400 0.230 0.000 2.147 372 K HA -0.295 nan 4.320 nan 0.000 0.205 372 K C 2.981 179.699 176.600 0.196 0.000 1.049 372 K CA 2.363 58.770 56.287 0.200 0.000 0.936 372 K CB -0.737 31.824 32.500 0.102 0.000 0.722 372 K HN -0.092 8.192 8.250 0.203 0.088 0.446 373 K N -0.504 119.948 120.400 0.087 0.000 2.097 373 K HA -0.236 nan 4.320 nan 0.000 0.206 373 K C 1.581 178.151 176.600 -0.049 0.000 1.049 373 K CA 2.709 59.005 56.287 0.015 0.000 0.933 373 K CB -0.321 32.172 32.500 -0.010 0.000 0.717 373 K HN 0.083 8.253 8.250 0.080 0.128 0.442 374 S N -1.505 114.132 115.700 -0.106 0.000 2.447 374 S HA -0.198 nan 4.470 nan 0.000 0.233 374 S C 0.397 174.741 174.600 -0.428 0.000 1.006 374 S CA 2.260 60.300 58.200 -0.267 0.000 0.957 374 S CB 0.719 63.711 63.200 -0.347 0.000 0.773 374 S HN -0.522 7.629 8.310 -0.074 0.115 0.507 375 F N 1.208 121.035 119.950 -0.205 0.000 2.382 375 F HA 0.013 nan 4.527 nan 0.000 0.331 375 F C 0.170 175.837 175.800 -0.221 0.000 1.121 375 F CA 1.083 58.982 58.000 -0.169 0.000 1.183 375 F CB 1.014 39.937 39.000 -0.127 0.000 1.207 375 F HN -0.697 7.540 8.300 0.193 0.179 0.555 376 H N 1.696 120.789 119.070 0.038 0.000 2.607 376 H HA 0.161 nan 4.556 nan 0.000 0.367 376 H C -1.619 173.642 175.328 -0.111 0.000 1.181 376 H CA -0.601 55.428 56.048 -0.032 0.000 1.402 376 H CB 0.288 30.031 29.762 -0.031 0.000 1.474 376 H HN 0.067 8.504 8.280 0.263 0.000 0.596 377 P HA 0.060 nan 4.420 nan 0.000 0.277 377 P C -1.443 175.789 177.300 -0.114 0.000 1.276 377 P CA -0.256 62.797 63.100 -0.079 0.000 0.788 377 P CB 0.654 32.381 31.700 0.045 0.000 1.114 378 Y N -0.779 119.623 120.300 0.169 0.000 2.320 378 Y HA 0.098 nan 4.550 nan 0.000 0.334 378 Y C 0.448 176.415 175.900 0.111 0.000 1.055 378 Y CA 0.285 58.484 58.100 0.165 0.000 1.143 378 Y CB 0.968 39.558 38.460 0.217 0.000 1.193 378 Y HN 0.237 8.620 8.280 0.171 0.000 0.477 379 T N 4.838 119.539 114.554 0.246 0.000 2.816 379 T HA 0.231 nan 4.350 nan 0.000 0.282 379 T C 0.556 175.310 174.700 0.091 0.000 0.993 379 T CA -0.748 61.427 62.100 0.125 0.000 0.994 379 T CB 1.325 70.248 68.868 0.092 0.000 1.025 379 T HN 0.229 8.639 8.240 0.282 0.000 0.529 380 K N 1.190 121.602 120.400 0.020 0.000 2.147 380 K HA -0.346 nan 4.320 nan 0.000 0.205 380 K C 2.279 178.890 176.600 0.019 0.000 1.049 380 K CA 3.152 59.427 56.287 -0.020 0.000 0.936 380 K CB 0.007 32.485 32.500 -0.036 0.000 0.722 380 K HN 0.306 8.563 8.250 0.012 0.000 0.446 381 E N -1.583 118.640 120.200 0.039 0.000 2.058 381 E HA -0.310 nan 4.350 nan 0.000 0.194 381 E C 1.130 177.773 176.600 0.072 0.000 0.997 381 E CA 2.848 59.274 56.400 0.044 0.000 0.801 381 E CB -0.626 29.100 29.700 0.044 0.000 0.746 381 E HN 0.091 8.461 8.360 0.037 0.011 0.450 382 E N -2.115 118.155 120.200 0.116 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.740 178.423 176.600 0.138 0.000 0.985 382 E CA 2.189 58.672 56.400 0.138 0.000 0.801 382 E CB -0.153 29.706 29.700 0.265 0.000 0.750 382 E HN -0.623 7.726 8.360 0.134 0.091 0.452 383 L N -3.131 118.178 121.223 0.142 0.000 2.044 383 L HA -0.231 nan 4.340 nan 0.000 0.205 383 L C 0.818 177.763 176.870 0.125 0.000 1.075 383 L CA 2.009 56.936 54.840 0.145 0.000 0.747 383 L CB 0.364 42.425 42.059 0.003 0.000 0.903 383 L HN -0.674 7.630 8.230 0.124 0.000 0.435 384 S N -3.148 112.597 115.700 0.076 0.000 2.576 384 S HA -0.078 nan 4.470 nan 0.000 0.276 384 S C -1.063 173.628 174.600 0.153 0.000 1.339 384 S CA 1.670 59.917 58.200 0.079 0.000 1.039 384 S CB 0.745 63.955 63.200 0.017 0.000 0.902 384 S HN -0.275 7.970 8.310 0.058 0.100 0.516 385 F N 6.018 125.971 119.950 0.005 0.000 2.434 385 F HA 0.358 nan 4.527 nan 0.000 0.355 385 F C -2.712 173.088 175.800 0.000 0.000 1.115 385 F CA -3.473 54.532 58.000 0.008 0.000 1.010 385 F CB 2.789 41.796 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 0.059 nan 4.420 nan 0.000 0.275 386 P C -0.587 176.469 177.300 -0.408 0.000 1.228 386 P CA -0.043 62.854 63.100 -0.339 0.000 0.786 386 P CB 0.468 32.020 31.700 -0.247 0.000 0.927 387 G N 0.533 109.221 108.800 -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 -1.200 173.678 174.900 -0.036 0.000 0.998 387 G CA 0.548 45.576 45.100 -0.121 0.000 0.621 387 G HN 0.091 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 -1.420 174.722 176.094 0.081 0.000 1.030 388 V CA -0.771 61.612 62.300 0.138 0.000 0.881 388 V CB 0.671 32.723 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 6.959 127.187 120.200 0.047 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.583 175.021 176.600 0.007 0.000 0.877 389 E CA -1.642 54.770 56.400 0.020 0.000 0.755 389 E CB 4.738 34.442 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 6.755 126.663 119.914 -0.011 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.103 175.978 176.094 -0.022 0.000 1.037 390 V CA -0.010 62.272 62.300 -0.030 0.000 0.872 390 V CB -0.601 31.184 31.823 -0.063 0.000 1.002 390 V HN 0.305 8.489 8.190 -0.011 0.000 0.464 391 V N 8.087 127.991 119.914 -0.015 0.000 2.323 391 V HA -0.015 nan 4.120 nan 0.000 0.244 391 V C 0.190 176.280 176.094 -0.007 0.000 1.041 391 V CA 1.785 64.080 62.300 -0.008 0.000 1.025 391 V CB 0.471 32.292 31.823 -0.004 0.000 0.656 391 V HN 0.670 8.850 8.190 -0.017 0.000 0.451 392 G N -4.540 104.254 108.800 -0.010 0.000 2.489 392 G HA2 0.152 nan 3.960 nan 0.000 0.291 392 G HA3 0.152 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 -0.000 0.000 1.487 392 G CA 0.631 45.730 45.100 -0.002 0.000 0.795 392 G HN -0.820 7.460 8.290 -0.016 0.000 0.513 393 V N -0.922 119.001 119.914 0.015 0.000 2.925 393 V HA 0.704 nan 4.120 nan 0.000 0.311 393 V C -1.450 174.681 176.094 0.062 0.000 1.104 393 V CA -1.574 60.748 62.300 0.037 0.000 0.954 393 V CB 3.507 35.348 31.823 0.031 0.000 1.022 393 V HN 0.280 8.481 8.190 0.020 0.000 0.427 394 S N 2.479 118.233 115.700 0.090 0.000 2.546 394 S HA 0.690 nan 4.470 nan 0.000 0.274 394 S C -1.883 172.785 174.600 0.113 0.000 1.121 394 S CA -1.083 57.165 58.200 0.080 0.000 0.887 394 S CB 3.507 66.738 63.200 0.051 0.000 1.094 394 S HN 0.310 8.683 8.310 0.105 0.000 0.474 395 I N -1.597 119.017 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.794 174.322 176.117 -0.000 0.000 0.992 395 I CA -2.107 59.207 61.300 0.025 0.000 1.149 395 I CB 1.282 39.241 38.000 -0.067 0.000 1.315 395 I HN 0.356 8.892 8.210 0.053 -0.294 0.446 396 N N 8.138 126.844 118.700 0.009 0.000 2.400 396 N HA 0.439 nan 4.740 nan 0.000 0.288 396 N C -1.459 174.080 175.510 0.048 0.000 1.024 396 N CA 0.194 53.257 53.050 0.022 0.000 0.894 396 N CB 2.240 40.740 38.487 0.022 0.000 1.173 396 N HN 0.574 8.846 8.380 0.001 0.109 0.487 397 S N 2.752 118.473 115.700 0.035 0.000 2.929 397 S HA 0.199 nan 4.470 nan 0.000 0.311 397 S C -0.707 173.905 174.600 0.020 0.000 1.213 397 S CA -0.415 57.814 58.200 0.048 0.000 0.908 397 S CB 2.272 65.496 63.200 0.040 0.000 1.287 397 S HN 0.025 8.345 8.310 0.017 0.000 0.594 398 K N 1.999 122.405 120.400 0.010 0.000 2.032 398 K HA -0.149 nan 4.320 nan 0.000 0.209 398 K C 0.004 176.600 176.600 -0.007 0.000 1.048 398 K CA 1.837 58.121 56.287 -0.005 0.000 0.927 398 K CB 0.282 32.770 32.500 -0.020 0.000 0.712 398 K HN 0.059 8.659 8.250 0.016 -0.341 0.441 399 T N 0.426 114.975 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.537 173.160 174.700 -0.006 0.000 0.993 399 T CA -0.675 61.420 62.100 -0.008 0.000 0.970 399 T CB 1.974 70.835 68.868 -0.013 0.000 0.950 399 T HN -0.167 8.072 8.240 -0.010 -0.005 0.441 400 A N 3.999 126.818 122.820 -0.001 0.000 2.462 400 A HA -0.082 nan 4.320 nan 0.000 0.243 400 A C 0.158 177.740 177.584 -0.003 0.000 1.076 400 A CA 0.773 52.811 52.037 0.001 0.000 0.773 400 A CB 0.036 19.041 19.000 0.008 0.000 1.010 400 A HN 0.317 8.468 8.150 0.000 0.000 0.493 401 N N -2.425 116.268 118.700 -0.011 0.000 2.800 401 N HA -0.425 nan 4.740 nan 0.000 0.250 401 N C -1.542 173.956 175.510 -0.022 0.000 1.078 401 N CA 1.188 54.231 53.050 -0.011 0.000 0.804 401 N CB -1.513 36.983 38.487 0.015 0.000 1.135 401 N HN 0.267 8.533 8.380 -0.015 0.105 0.565 402 V N -8.413 111.479 119.914 -0.037 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.171 173.883 176.094 -0.067 0.000 1.062 402 V CA -2.298 59.980 62.300 -0.037 0.000 0.901 402 V CB 3.083 34.895 31.823 -0.019 0.000 1.003 402 V HN -0.602 7.513 8.190 -0.035 0.054 0.425 403 I N 4.164 124.683 120.570 -0.085 0.000 2.474 403 I HA 0.463 nan 4.170 nan 0.000 0.294 403 I C -1.913 174.188 176.117 -0.027 0.000 1.005 403 I CA -1.825 59.418 61.300 -0.094 0.000 1.113 403 I CB 3.731 41.597 38.000 -0.224 0.000 1.289 403 I HN 0.710 8.881 8.210 -0.066 0.000 0.436 404 T N 9.157 123.717 114.554 0.011 0.000 2.859 404 T HA 0.544 nan 4.350 nan 0.000 0.281 404 T C -1.941 172.792 174.700 0.054 0.000 1.005 404 T CA -0.811 61.290 62.100 0.002 0.000 1.025 404 T CB 1.866 70.706 68.868 -0.046 0.000 0.977 404 T HN 0.217 8.483 8.240 0.043 0.000 0.458 405 T N 5.897 120.483 114.554 0.054 0.000 2.876 405 T HA 0.967 nan 4.350 nan 0.000 0.289 405 T C -2.370 172.279 174.700 -0.085 0.000 1.014 405 T CA -1.693 60.493 62.100 0.144 0.000 0.986 405 T CB 1.313 70.374 68.868 0.321 0.000 1.021 405 T HN 0.240 8.490 8.240 0.018 0.000 0.458 406 L N 3.982 125.198 121.223 -0.013 0.000 2.510 406 L HA 0.748 nan 4.340 nan 0.000 0.252 406 L C -1.927 175.032 176.870 0.150 0.000 1.091 406 L CA -1.055 53.669 54.840 -0.193 0.000 0.888 406 L CB 4.289 46.257 42.059 -0.151 0.000 1.507 406 L HN 1.016 9.217 8.230 0.137 0.111 0.407 407 I N -0.846 119.805 120.570 0.134 0.000 2.392 407 I HA 0.501 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.180 176.117 -0.005 0.000 0.985 407 I CA -2.506 58.873 61.300 0.131 0.000 1.221 407 I CB 1.589 39.704 38.000 0.192 0.000 1.366 407 I HN 0.203 8.437 8.210 0.041 0.000 0.467 408 K N 8.047 128.328 120.400 -0.197 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.736 174.664 176.600 -0.334 0.000 0.934 408 K CA -2.140 53.983 56.287 -0.273 0.000 0.798 408 K CB 3.410 35.680 32.500 -0.383 0.000 1.204 408 K HN 0.870 8.816 8.250 -0.332 0.105 0.427 409 E N 2.843 122.912 120.200 -0.218 0.000 2.313 409 E HA 0.412 nan 4.350 nan 0.000 0.272 409 E C -1.203 175.145 176.600 -0.420 0.000 1.038 409 E CA -0.754 55.410 56.400 -0.394 0.000 0.863 409 E CB 1.162 30.661 29.700 -0.336 0.000 1.060 409 E HN 0.280 8.552 8.360 -0.147 0.000 0.402 410 S N 1.425 116.727 115.700 -0.662 0.000 2.607 410 S HA 0.415 nan 4.470 nan 0.000 0.273 410 S C -2.102 172.001 174.600 -0.829 0.000 1.148 410 S CA -1.089 56.716 58.200 -0.659 0.000 0.833 410 S CB 2.827 65.651 63.200 -0.627 0.000 1.130 410 S HN 0.762 8.564 8.310 -0.847 0.000 0.470 411 L N 1.545 122.500 121.223 -0.447 0.000 2.370 411 L HA 0.873 nan 4.340 nan 0.000 0.266 411 L C -1.650 175.208 176.870 -0.020 0.000 1.002 411 L CA -1.331 53.367 54.840 -0.237 0.000 0.818 411 L CB 3.401 45.384 42.059 -0.126 0.000 1.325 411 L HN 0.290 8.337 8.230 -0.304 0.000 0.418 412 L N 1.870 123.161 121.223 0.114 0.000 2.365 412 L HA 0.456 nan 4.340 nan 0.000 0.273 412 L C -2.204 174.706 176.870 0.066 0.000 1.000 412 L CA -1.424 53.503 54.840 0.146 0.000 0.819 412 L CB 4.405 46.587 42.059 0.205 0.000 1.284 412 L HN 0.852 9.032 8.230 0.102 0.111 0.418 413 E N 5.098 125.323 120.200 0.041 0.000 2.115 413 E HA 0.309 nan 4.350 nan 0.000 0.282 413 E C 0.035 176.642 176.600 0.011 0.000 0.987 413 E CA -0.595 55.815 56.400 0.016 0.000 0.797 413 E CB 0.720 30.427 29.700 0.011 0.000 1.086 413 E HN 0.334 8.720 8.360 0.043 0.000 0.397 414 L N 5.881 127.101 121.223 -0.004 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.517 178.351 176.870 -0.060 0.000 1.106 414 L CA 2.310 57.148 54.840 -0.004 0.000 0.793 414 L CB -0.024 42.048 42.059 0.022 0.000 0.927 414 L HN 0.869 9.097 8.230 -0.003 0.000 0.446 415 S N -1.047 114.565 115.700 -0.146 0.000 2.387 415 S HA -0.409 nan 4.470 nan 0.000 0.230 415 S C 1.488 175.870 174.600 -0.362 0.000 1.035 415 S CA 3.150 61.203 58.200 -0.245 0.000 1.014 415 S CB -0.260 62.678 63.200 -0.436 0.000 0.836 415 S HN -0.054 8.175 8.310 -0.136 0.000 0.466 416 H N -1.173 117.721 119.070 -0.293 0.000 2.389 416 H HA -0.101 nan 4.556 nan 0.000 0.299 416 H C 1.726 176.876 175.328 -0.296 0.000 1.081 416 H CA 2.770 58.565 56.048 -0.422 0.000 1.345 416 H CB 0.051 29.423 29.762 -0.650 0.000 1.393 416 H HN -0.072 7.981 8.280 -0.351 0.017 0.520 417 G N -3.048 105.691 108.800 -0.102 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 -0.566 174.254 174.900 -0.133 0.000 1.165 417 G CA 0.957 45.973 45.100 -0.141 0.000 0.784 417 G HN -0.293 7.962 8.290 -0.059 0.000 0.535 418 I N -5.272 115.255 120.570 -0.072 0.000 2.797 418 I HA 0.454 nan 4.170 nan 0.000 0.307 418 I C -1.921 174.189 176.117 -0.012 0.000 1.033 418 I CA -3.530 57.749 61.300 -0.035 0.000 1.071 418 I CB 2.311 40.319 38.000 0.014 0.000 1.255 418 I HN -0.630 7.544 8.210 -0.061 0.000 0.445 419 N N 2.619 121.310 118.700 -0.015 0.000 2.434 419 N HA -0.192 nan 4.740 nan 0.000 0.268 419 N C -0.437 175.026 175.510 -0.077 0.000 1.256 419 N CA 0.708 53.728 53.050 -0.050 0.000 0.914 419 N CB -0.263 38.176 38.487 -0.080 0.000 1.088 419 N HN 0.014 8.388 8.380 -0.010 0.000 0.478 420 F N 1.126 121.058 119.950 -0.029 0.000 2.163 420 F HA -0.017 nan 4.527 nan 0.000 0.297 420 F C 0.182 175.972 175.800 -0.017 0.000 1.094 420 F CA 0.293 58.267 58.000 -0.043 0.000 1.290 420 F CB -0.034 38.917 39.000 -0.082 0.000 1.017 420 F HN -0.303 8.140 8.300 0.238 0.000 0.483 421 G N 0.333 108.609 108.800 -0.873 0.000 2.531 421 G HA2 -0.542 nan 3.960 nan 0.000 0.274 421 G HA3 -0.542 nan 3.960 nan 0.000 0.274 421 G C 0.544 175.391 174.900 -0.088 0.000 1.159 421 G CA 1.052 45.900 45.100 -0.421 0.000 0.969 421 G HN -0.429 6.872 8.290 -1.822 -0.104 0.554 422 T N 0.875 115.440 114.554 0.017 0.000 2.857 422 T HA -0.088 nan 4.350 nan 0.000 0.266 422 T C 0.624 175.407 174.700 0.138 0.000 1.048 422 T CA 0.602 62.752 62.100 0.083 0.000 1.139 422 T CB -0.092 68.802 68.868 0.043 0.000 0.874 422 T HN 0.603 8.831 8.240 -0.019 0.000 0.455 423 D N 1.967 122.449 120.400 0.136 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.191 176.553 176.300 0.104 0.000 1.136 423 D CA -0.047 54.015 54.000 0.104 0.000 0.879 423 D CB -0.188 40.658 40.800 0.077 0.000 1.195 423 D HN -0.705 7.738 8.370 0.123 0.000 0.443 424 Q N 2.641 122.456 119.800 0.025 0.000 2.079 424 Q HA -0.192 nan 4.340 nan 0.000 0.200 424 Q C 0.189 176.133 176.000 -0.093 0.000 0.974 424 Q CA 3.267 59.044 55.803 -0.042 0.000 0.840 424 Q CB 0.966 29.680 28.738 -0.040 0.000 0.898 424 Q HN -0.054 8.231 8.270 0.025 0.000 0.430 425 S N -4.758 110.911 115.700 -0.052 0.000 2.537 425 S HA 0.386 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.869 174.600 -0.029 0.000 1.148 425 S CA -0.411 57.744 58.200 -0.075 0.000 0.868 425 S CB 2.148 65.300 63.200 -0.080 0.000 1.115 425 S HN -0.532 7.767 8.310 -0.018 0.000 0.461 426 V N -0.203 119.695 119.914 -0.025 0.000 2.444 426 V HA 0.826 nan 4.120 nan 0.000 0.294 426 V C -1.853 174.241 176.094 -0.001 0.000 1.022 426 V CA -2.476 59.825 62.300 0.001 0.000 0.850 426 V CB 1.750 33.586 31.823 0.022 0.000 0.992 426 V HN 0.055 8.215 8.190 -0.050 0.000 0.426 427 K N 4.737 125.139 120.400 0.004 0.000 2.318 427 K HA 0.844 nan 4.320 nan 0.000 0.249 427 K C -2.274 174.340 176.600 0.025 0.000 0.942 427 K CA -2.464 53.828 56.287 0.009 0.000 0.808 427 K CB 3.497 35.990 32.500 -0.012 0.000 1.189 427 K HN 0.096 8.349 8.250 0.006 0.000 0.428 428 V N 1.900 121.846 119.914 0.054 0.000 2.513 428 V HA 0.623 nan 4.120 nan 0.000 0.299 428 V C -2.244 173.886 176.094 0.060 0.000 1.035 428 V CA -2.845 59.501 62.300 0.077 0.000 0.889 428 V CB 3.248 35.149 31.823 0.130 0.000 0.988 428 V HN 0.682 8.913 8.190 0.069 0.000 0.440 429 K N 9.272 129.674 120.400 0.003 0.000 2.183 429 K HA 0.732 nan 4.320 nan 0.000 0.274 429 K C -1.857 174.685 176.600 -0.095 0.000 1.009 429 K CA -1.363 54.837 56.287 -0.145 0.000 0.888 429 K CB 2.300 34.701 32.500 -0.165 0.000 1.078 429 K HN 0.898 9.066 8.250 0.029 0.099 0.459 430 Y N 2.945 123.153 120.300 -0.155 0.000 2.638 430 Y HA 0.462 nan 4.550 nan 0.000 0.339 430 Y C -2.351 173.376 175.900 -0.287 0.000 1.084 430 Y CA -2.619 55.416 58.100 -0.109 0.000 1.068 430 Y CB 2.272 40.754 38.460 0.037 0.000 1.294 430 Y HN 0.973 8.607 8.280 -0.887 0.114 0.480 431 H N -1.142 118.103 119.070 0.291 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.502 174.980 175.328 0.256 0.000 1.151 431 H CA -1.677 54.443 56.048 0.120 0.000 1.184 431 H CB 3.702 33.506 29.762 0.071 0.000 1.643 431 H HN 0.199 8.785 8.280 0.511 0.000 0.531 432 H N -2.108 117.118 119.070 0.259 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.246 173.178 175.328 0.159 0.000 1.252 432 H CA -2.149 54.001 56.048 0.170 0.000 1.117 432 H CB 2.665 32.391 29.762 -0.059 0.000 1.857 432 H HN 0.824 8.944 8.280 -0.266 0.000 0.547 433 L N -0.920 120.546 121.223 0.406 0.000 2.417 433 L HA 0.293 nan 4.340 nan 0.000 0.268 433 L C -0.493 176.673 176.870 0.494 0.000 1.158 433 L CA 0.282 55.337 54.840 0.359 0.000 0.819 433 L CB 0.876 43.120 42.059 0.308 0.000 1.112 433 L HN 0.333 8.858 8.230 0.490 0.000 0.458 434 D N 3.493 124.101 120.400 0.346 0.000 2.599 434 D HA 0.327 nan 4.640 nan 0.000 0.252 434 D C -2.515 173.912 176.300 0.212 0.000 1.232 434 D CA -1.030 53.140 54.000 0.283 0.000 0.819 434 D CB 3.875 44.784 40.800 0.181 0.000 1.401 434 D HN 0.726 9.279 8.370 0.305 0.000 0.429 435 H N -2.228 116.920 119.070 0.129 0.000 2.946 435 H HA 0.744 nan 4.556 nan 0.000 0.365 435 H C -1.479 173.845 175.328 -0.006 0.000 1.197 435 H CA -2.115 53.973 56.048 0.066 0.000 1.131 435 H CB 3.006 32.822 29.762 0.090 0.000 1.849 435 H HN 0.016 8.096 8.280 -0.332 0.000 0.555 436 E N 0.992 121.277 120.200 0.140 0.000 2.390 436 E HA 0.130 nan 4.350 nan 0.000 0.261 436 E C -1.413 175.232 176.600 0.074 0.000 1.076 436 E CA -2.378 54.055 56.400 0.054 0.000 0.905 436 E CB 0.986 30.721 29.700 0.059 0.000 0.984 436 E HN 0.211 8.682 8.360 0.185 0.000 0.427 437 P HA 0.097 nan 4.420 nan 0.000 0.275 437 P C -2.399 174.912 177.300 0.019 0.000 1.228 437 P CA 0.190 63.176 63.100 -0.189 0.000 0.786 437 P CB 0.571 32.366 31.700 0.158 0.000 0.927 438 F N -4.084 115.912 119.950 0.078 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 -0.119 0.000 1.141 438 F CA -2.237 55.726 58.000 -0.062 0.000 0.941 438 F CB 2.264 41.156 39.000 -0.181 0.000 1.349 438 F HN -0.498 7.451 8.300 -0.586 0.000 0.464 439 T N -1.415 113.168 114.554 0.048 0.000 2.901 439 T HA 0.785 nan 4.350 nan 0.000 0.293 439 T C -2.121 172.476 174.700 -0.172 0.000 1.084 439 T CA -1.947 60.089 62.100 -0.106 0.000 1.008 439 T CB 3.155 71.997 68.868 -0.045 0.000 1.170 439 T HN 0.266 8.581 8.240 0.125 0.000 0.509 440 Y N 0.326 120.714 120.300 0.146 0.000 2.429 440 Y HA 0.610 nan 4.550 nan 0.000 0.342 440 Y C -1.771 174.155 175.900 0.043 0.000 1.004 440 Y CA -2.023 56.143 58.100 0.111 0.000 1.075 440 Y CB 3.295 41.828 38.460 0.122 0.000 1.214 440 Y HN 0.575 8.905 8.280 0.084 0.000 0.455 441 N N 1.872 120.684 118.700 0.186 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 0.065 0.000 1.025 441 N CA -0.754 52.347 53.050 0.086 0.000 0.898 441 N CB 2.981 41.496 38.487 0.047 0.000 1.303 441 N HN 0.602 9.103 8.380 0.202 0.000 0.495 442 I N 6.658 127.239 120.570 0.019 0.000 2.406 442 I HA 0.590 nan 4.170 nan 0.000 0.290 442 I C -2.310 173.784 176.117 -0.038 0.000 0.999 442 I CA -2.383 58.910 61.300 -0.013 0.000 1.124 442 I CB 3.078 41.054 38.000 -0.041 0.000 1.289 442 I HN 0.578 8.784 8.210 -0.006 0.000 0.441 443 V N 9.776 129.675 119.914 -0.025 0.000 2.407 443 V HA 0.529 nan 4.120 nan 0.000 0.278 443 V C -1.548 174.530 176.094 -0.026 0.000 1.037 443 V CA -0.874 61.412 62.300 -0.023 0.000 0.900 443 V CB 0.455 32.273 31.823 -0.009 0.000 0.983 443 V HN 0.611 8.791 8.190 -0.016 0.000 0.459 444 V N 7.617 127.516 119.914 -0.025 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.072 174.024 176.094 0.003 0.000 1.061 444 V CA -1.864 60.427 62.300 -0.015 0.000 0.913 444 V CB 3.631 35.441 31.823 -0.022 0.000 1.005 444 V HN 0.923 8.993 8.190 -0.024 0.106 0.428 445 E N 5.603 125.809 120.200 0.011 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.038 174.579 176.600 0.027 0.000 0.930 445 E CA -2.212 54.197 56.400 0.015 0.000 0.770 445 E CB 2.506 32.211 29.700 0.009 0.000 1.104 445 E HN 0.734 9.100 8.360 0.010 0.000 0.403 446 N N 6.876 125.593 118.700 0.029 0.000 2.527 446 N HA 0.273 nan 4.740 nan 0.000 0.236 446 N C 0.587 176.109 175.510 0.020 0.000 0.999 446 N CA -1.576 51.498 53.050 0.040 0.000 0.935 446 N CB 0.527 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 7.617 126.323 118.700 0.010 0.000 2.270 447 N HA -0.163 nan 4.740 nan 0.000 0.181 447 N C 0.481 175.985 175.510 -0.010 0.000 1.016 447 N CA 1.893 54.940 53.050 -0.005 0.000 0.870 447 N CB 0.100 38.575 38.487 -0.019 0.000 0.979 447 N HN 0.837 9.133 8.380 0.014 0.093 0.431 448 S N 0.887 116.581 115.700 -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 0.451 58.644 58.200 -0.013 0.000 1.005 448 S CB 0.840 64.033 63.200 -0.011 0.000 0.909 448 S HN -0.333 8.200 8.310 0.000 -0.223 0.555 449 G N -0.864 107.935 108.800 -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 -1.099 173.804 174.900 0.005 0.000 1.143 449 G CA 0.415 45.516 45.100 0.001 0.000 0.784 449 G HN 0.415 8.701 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 -1.715 175.872 177.584 0.004 0.000 1.123 450 A CA -1.056 50.988 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 -0.820 7.298 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 -0.978 175.554 176.600 -0.114 0.000 1.032 451 E CA 0.475 56.829 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 1.275 121.595 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.446 174.966 176.600 -0.314 0.000 0.991 452 K CA -2.546 53.696 56.287 -0.075 0.000 0.845 452 K CB 3.336 35.954 32.500 0.197 0.000 1.197 452 K HN 0.694 8.771 8.250 -0.115 0.104 0.441 453 H N -0.348 118.774 119.070 0.087 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.669 174.608 175.328 -0.085 0.000 1.048 453 H CA -0.982 55.106 56.048 0.067 0.000 1.204 453 H CB 2.526 32.593 29.762 0.509 0.000 1.493 453 H HN 0.475 8.873 8.280 0.197 0.000 0.511 454 S N 2.615 118.157 115.700 -0.263 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.150 173.325 174.600 -0.209 0.000 1.099 454 S CA -1.609 56.431 58.200 -0.266 0.000 0.913 454 S CB 2.518 65.512 63.200 -0.343 0.000 1.085 454 S HN 0.931 8.858 8.310 -0.639 0.000 0.480 455 T N 3.544 118.038 114.554 -0.099 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.956 173.592 174.700 -0.254 0.000 0.970 455 T CA -0.006 62.051 62.100 -0.072 0.000 0.980 455 T CB 0.730 69.628 68.868 0.049 0.000 0.924 455 T HN 0.232 8.397 8.240 -0.126 0.000 0.456 456 V N 8.105 127.695 119.914 -0.540 0.000 2.439 456 V HA 0.510 nan 4.120 nan 0.000 0.282 456 V C -1.284 174.543 176.094 -0.444 0.000 1.039 456 V CA -0.888 61.045 62.300 -0.611 0.000 0.913 456 V CB 0.833 32.008 31.823 -1.080 0.000 0.983 456 V HN 1.152 8.795 8.190 -0.741 0.102 0.460 457 R N 6.009 126.405 120.500 -0.174 0.000 2.480 457 R HA 0.855 nan 4.340 nan 0.000 0.306 457 R C -1.479 174.843 176.300 0.037 0.000 0.958 457 R CA -1.445 54.657 56.100 0.004 0.000 0.861 457 R CB 2.684 33.149 30.300 0.275 0.000 1.171 457 R HN 0.942 9.125 8.270 -0.144 0.000 0.445 458 I N 2.926 123.439 120.570 -0.095 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.714 174.289 176.117 -0.190 0.000 1.032 458 I CA -0.980 60.284 61.300 -0.060 0.000 1.073 458 I CB 3.122 40.993 38.000 -0.215 0.000 1.251 458 I HN 0.752 8.836 8.210 -0.210 0.000 0.426 459 F N 4.959 125.053 119.950 0.241 0.000 2.620 459 F HA 0.805 nan 4.527 nan 0.000 0.320 459 F C -2.205 173.751 175.800 0.259 0.000 1.069 459 F CA -1.562 56.588 58.000 0.249 0.000 0.953 459 F CB 4.549 43.694 39.000 0.240 0.000 1.322 459 F HN 0.583 9.193 8.300 0.515 0.000 0.479 460 L N 0.514 121.986 121.223 0.415 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.498 174.537 176.870 0.276 0.000 0.993 460 L CA -1.685 53.332 54.840 0.295 0.000 0.819 460 L CB 4.191 46.312 42.059 0.102 0.000 1.294 460 L HN 0.636 9.102 8.230 0.394 0.000 0.414 461 A N 4.716 127.667 122.820 0.219 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.045 0.000 1.059 461 A CA -2.759 49.200 52.037 -0.130 0.000 0.698 461 A CB 2.346 20.760 19.000 -0.977 0.000 1.289 461 A HN 0.802 9.130 8.150 0.297 0.000 0.404 462 P HA 0.089 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.988 177.300 -0.315 0.000 1.216 462 P CA -0.550 62.362 63.100 -0.313 0.000 0.771 462 P CB 0.456 31.992 31.700 -0.274 0.000 0.864 463 K N 1.007 121.189 120.400 -0.363 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.127 176.454 176.600 -0.454 0.000 1.051 463 K CA 2.283 58.350 56.287 -0.366 0.000 0.949 463 K CB 1.055 33.301 32.500 -0.423 0.000 0.726 463 K HN -0.118 7.830 8.250 -0.503 0.000 0.443 464 Y N -4.534 115.616 120.300 -0.251 0.000 2.310 464 Y HA -0.012 nan 4.550 nan 0.000 0.326 464 Y C -0.275 175.524 175.900 -0.168 0.000 1.151 464 Y CA 0.711 58.701 58.100 -0.182 0.000 1.195 464 Y CB 0.697 39.054 38.460 -0.172 0.000 1.210 464 Y HN -0.600 7.618 8.280 -0.103 0.000 0.483 465 D N 2.897 123.307 120.400 0.016 0.000 2.496 465 D HA 0.081 nan 4.640 nan 0.000 0.283 465 D C -0.167 176.139 176.300 0.009 0.000 1.214 465 D CA -1.388 52.601 54.000 -0.017 0.000 1.089 465 D CB 1.716 42.494 40.800 -0.037 0.000 1.141 465 D HN -0.311 8.070 8.370 0.019 0.000 0.580 466 E N -1.893 118.301 120.200 -0.010 0.000 2.474 466 E HA 0.037 nan 4.350 nan 0.000 0.194 466 E C 0.002 176.601 176.600 -0.001 0.000 1.041 466 E CA 1.025 57.419 56.400 -0.010 0.000 0.874 466 E CB 0.308 29.996 29.700 -0.019 0.000 0.914 466 E HN 0.314 8.662 8.360 -0.021 0.000 0.498 467 L N -1.328 119.898 121.223 0.005 0.000 2.630 467 L HA 0.233 nan 4.340 nan 0.000 0.180 467 L C 0.690 177.574 176.870 0.025 0.000 1.221 467 L CA 1.271 56.115 54.840 0.007 0.000 0.853 467 L CB -0.476 41.582 42.059 -0.002 0.000 1.172 467 L HN -0.174 7.976 8.230 0.006 0.084 0.508 468 N N -3.408 115.313 118.700 0.035 0.000 3.449 468 N HA 0.008 nan 4.740 nan 0.000 0.312 468 N C -1.906 173.644 175.510 0.066 0.000 1.582 468 N CA -0.642 52.456 53.050 0.079 0.000 0.850 468 N CB 1.800 40.319 38.487 0.053 0.000 1.822 468 N HN -0.547 7.843 8.380 0.017 0.000 0.577 469 N N 0.007 118.728 118.700 0.035 0.000 2.406 469 N HA -0.166 nan 4.740 nan 0.000 0.274 469 N C -1.305 174.087 175.510 -0.196 0.000 1.249 469 N CA 1.197 54.094 53.050 -0.254 0.000 0.951 469 N CB 0.074 38.374 38.487 -0.311 0.000 1.241 469 N HN 0.251 8.691 8.380 0.101 0.000 0.485 470 K N 4.539 124.826 120.400 -0.187 0.000 2.740 470 K HA 0.233 nan 4.320 nan 0.000 0.246 470 K C -1.178 175.350 176.600 -0.120 0.000 1.021 470 K CA -1.157 55.057 56.287 -0.121 0.000 1.021 470 K CB 1.235 33.692 32.500 -0.072 0.000 1.233 470 K HN -0.283 7.835 8.250 -0.219 0.000 0.497 471 L N 6.314 127.472 121.223 -0.109 0.000 2.416 471 L HA 0.031 nan 4.340 nan 0.000 0.243 471 L C -0.994 175.853 176.870 -0.037 0.000 1.373 471 L CA -0.619 54.172 54.840 -0.082 0.000 1.227 471 L CB -1.270 40.757 42.059 -0.054 0.000 1.428 471 L HN 0.702 8.871 8.230 -0.101 0.000 0.425 472 E N 2.201 122.370 120.200 -0.052 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.397 175.192 176.600 -0.018 0.000 1.031 472 E CA -2.525 53.860 56.400 -0.025 0.000 0.824 472 E CB 0.020 29.703 29.700 -0.030 0.000 1.076 472 E HN -0.159 8.111 8.360 -0.079 0.043 0.395 473 P HA -0.257 nan 4.420 nan 0.000 0.219 473 P C 0.711 178.027 177.300 0.027 0.000 1.146 473 P CA 2.531 65.655 63.100 0.040 0.000 0.808 473 P CB 0.172 31.879 31.700 0.011 0.000 0.779 474 D N -1.633 118.771 120.400 0.006 0.000 2.097 474 D HA -0.258 nan 4.640 nan 0.000 0.195 474 D C 2.553 178.853 176.300 0.001 0.000 0.989 474 D CA 3.095 57.100 54.000 0.007 0.000 0.827 474 D CB -0.380 40.422 40.800 0.004 0.000 0.966 474 D HN 0.311 8.660 8.370 0.005 0.025 0.456 475 E N -0.532 119.651 120.200 -0.028 0.000 2.106 475 E HA -0.304 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.172 176.600 -0.111 0.000 0.984 475 E CA 2.593 58.958 56.400 -0.059 0.000 0.806 475 E CB -0.106 29.549 29.700 -0.075 0.000 0.750 475 E HN -0.485 7.857 8.360 -0.029 0.000 0.458 476 Q N -1.661 118.052 119.800 -0.145 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.066 177.858 176.000 -0.347 0.000 0.980 476 Q CA 2.804 58.364 55.803 -0.405 0.000 0.869 476 Q CB -0.362 28.134 28.738 -0.404 0.000 0.912 476 Q HN -0.223 7.880 8.270 -0.079 0.120 0.436 477 R N -1.715 118.822 120.500 0.060 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.954 178.286 176.300 0.052 0.000 1.136 477 R CA 2.693 58.906 56.100 0.188 0.000 0.959 477 R CB -0.548 29.841 30.300 0.148 0.000 0.856 477 R HN -0.670 7.502 8.270 0.064 0.136 0.437 478 R N -3.152 117.329 120.500 -0.031 0.000 2.075 478 R HA -0.113 nan 4.340 nan 0.000 0.232 478 R C 2.002 178.240 176.300 -0.103 0.000 1.126 478 R CA 1.481 57.556 56.100 -0.042 0.000 0.963 478 R CB -0.187 30.090 30.300 -0.038 0.000 0.858 478 R HN -0.530 7.718 8.270 -0.036 0.000 0.435 479 L N -1.722 119.372 121.223 -0.214 0.000 2.156 479 L HA -0.186 nan 4.340 nan 0.000 0.208 479 L C 0.613 177.316 176.870 -0.277 0.000 1.095 479 L CA 1.535 56.214 54.840 -0.270 0.000 0.770 479 L CB 0.093 41.906 42.059 -0.410 0.000 0.914 479 L HN -0.741 7.194 8.230 -0.266 0.136 0.439 480 F N -2.569 117.211 119.950 -0.283 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.248 176.007 175.800 -0.070 0.000 1.083 480 F CA 1.715 59.521 58.000 -0.322 0.000 1.266 480 F CB 0.155 38.589 39.000 -0.944 0.000 1.076 480 F HN -0.628 7.407 8.300 -0.440 0.000 0.574 481 I N -1.457 119.278 120.570 0.275 0.000 2.530 481 I HA 0.484 nan 4.170 nan 0.000 0.297 481 I C -1.736 174.575 176.117 0.324 0.000 1.011 481 I CA -2.246 59.189 61.300 0.226 0.000 1.107 481 I CB 3.437 41.481 38.000 0.072 0.000 1.285 481 I HN 0.668 9.045 8.210 0.279 0.000 0.436 482 E N 4.755 125.075 120.200 0.200 0.000 2.152 482 E HA 0.134 nan 4.350 nan 0.000 0.285 482 E C -0.245 176.245 176.600 -0.183 0.000 1.043 482 E CA -1.061 55.166 56.400 -0.289 0.000 0.839 482 E CB 1.244 30.877 29.700 -0.111 0.000 1.069 482 E HN -0.209 8.548 8.360 0.259 -0.242 0.399 483 L N 5.938 127.020 121.223 -0.235 0.000 2.095 483 L HA -0.034 nan 4.340 nan 0.000 0.204 483 L C -0.457 176.378 176.870 -0.058 0.000 1.080 483 L CA 1.860 56.666 54.840 -0.056 0.000 0.759 483 L CB 0.442 42.523 42.059 0.037 0.000 0.914 483 L HN 0.450 8.442 8.230 -0.396 0.000 0.439 484 D N -5.459 114.858 120.400 -0.139 0.000 2.720 484 D HA 0.142 nan 4.640 nan 0.000 0.239 484 D C -2.797 173.501 176.300 -0.004 0.000 1.218 484 D CA -0.093 53.906 54.000 -0.001 0.000 0.748 484 D CB 3.284 44.181 40.800 0.162 0.000 1.387 484 D HN -0.635 7.556 8.370 -0.297 0.000 0.438 485 K N 2.263 122.722 120.400 0.099 0.000 2.535 485 K HA 0.762 nan 4.320 nan 0.000 0.250 485 K C -1.914 174.805 176.600 0.198 0.000 0.948 485 K CA -0.579 55.739 56.287 0.052 0.000 0.796 485 K CB 2.984 35.505 32.500 0.035 0.000 1.216 485 K HN -0.259 8.078 8.250 0.145 0.000 0.432 486 F N 1.312 121.288 119.950 0.043 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.117 172.761 175.800 0.129 0.000 1.141 486 F CA -1.929 56.120 58.000 0.082 0.000 0.939 486 F CB 1.960 40.998 39.000 0.063 0.000 1.325 486 F HN 0.178 8.183 8.300 -0.492 0.000 0.453 487 F N 0.163 120.226 119.950 0.189 0.000 2.421 487 F HA 0.690 nan 4.527 nan 0.000 0.337 487 F C -2.197 173.723 175.800 0.200 0.000 1.105 487 F CA -1.125 56.897 58.000 0.037 0.000 1.049 487 F CB 2.144 41.039 39.000 -0.174 0.000 1.139 487 F HN -0.199 8.419 8.300 0.531 0.000 0.479 488 Y N 7.539 127.088 120.300 -1.253 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.466 172.781 175.900 -1.087 0.000 1.045 488 Y CA -0.744 56.881 58.100 -0.791 0.000 1.028 488 Y CB 4.784 43.094 38.460 -0.249 0.000 1.297 488 Y HN 0.719 8.247 8.280 -1.253 0.000 0.463 489 T N 5.391 119.351 114.554 -0.990 0.000 2.823 489 T HA 0.640 nan 4.350 nan 0.000 0.279 489 T C -1.467 173.064 174.700 -0.282 0.000 0.998 489 T CA -0.617 61.158 62.100 -0.542 0.000 0.994 489 T CB 0.943 69.614 68.868 -0.329 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.631 0.000 0.448 490 L N 6.308 127.442 121.223 -0.148 0.000 2.346 490 L HA 0.446 nan 4.340 nan 0.000 0.276 490 L C -0.534 176.310 176.870 -0.043 0.000 1.006 490 L CA -1.418 53.419 54.840 -0.005 0.000 0.817 490 L CB 2.456 44.534 42.059 0.032 0.000 1.272 490 L HN 1.023 8.999 8.230 -0.229 0.117 0.421 491 T N 0.025 114.576 114.554 -0.006 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.155 172.547 174.700 0.005 0.000 0.974 491 T CA -3.142 58.951 62.100 -0.013 0.000 0.966 491 T CB -0.483 68.383 68.868 -0.003 0.000 1.072 491 T HN -0.247 8.171 8.240 0.027 -0.162 0.538 492 P HA -0.014 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.410 177.300 0.011 0.000 1.231 492 P CA -0.019 63.087 63.100 0.009 0.000 0.790 492 P CB 0.269 31.972 31.700 0.005 0.000 0.951 493 G N 2.047 110.854 108.800 0.012 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 -1.745 173.163 174.900 0.014 0.000 1.331 493 G CA -0.582 44.524 45.100 0.011 0.000 0.891 493 G HN 0.045 8.342 8.290 0.012 0.000 0.539 494 K N 1.089 121.497 120.400 0.012 0.000 2.237 494 K HA 0.271 nan 4.320 nan 0.000 0.270 494 K C -0.716 175.895 176.600 0.017 0.000 1.015 494 K CA 0.517 56.811 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 0.103 8.360 8.250 0.011 0.000 0.472 495 N N 2.324 121.033 118.700 0.015 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.232 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.683 52.381 53.050 0.023 0.000 0.783 495 N CB 5.093 43.609 38.487 0.050 0.000 1.558 495 N HN 0.312 8.696 8.380 0.007 0.000 0.472 496 T N -2.335 112.210 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.882 173.747 174.700 -0.118 0.000 0.991 496 T CA -1.435 60.636 62.100 -0.048 0.000 0.964 496 T CB 1.149 70.006 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 6.803 127.250 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.400 174.611 176.117 -0.176 0.000 0.992 497 I CA -0.852 60.210 61.300 -0.398 0.000 1.154 497 I CB 2.511 40.144 38.000 -0.612 0.000 1.315 497 I HN 0.772 8.785 8.210 -0.145 0.110 0.448 498 V N 7.402 127.233 119.914 -0.139 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.246 174.794 176.094 -0.090 0.000 1.038 498 V CA -1.523 60.745 62.300 -0.053 0.000 0.887 498 V CB 1.814 33.619 31.823 -0.031 0.000 0.991 498 V HN 0.282 8.372 8.190 -0.167 0.000 0.434 499 R N 7.729 128.203 120.500 -0.044 0.000 2.725 499 R HA 0.473 nan 4.340 nan 0.000 0.277 499 R C -2.294 173.969 176.300 -0.062 0.000 0.987 499 R CA -2.566 53.445 56.100 -0.149 0.000 0.901 499 R CB 4.150 34.237 30.300 -0.355 0.000 1.207 499 R HN 0.221 8.529 8.270 0.063 0.000 0.463 500 N N 3.475 122.083 118.700 -0.154 0.000 2.466 500 N HA 0.358 nan 4.740 nan 0.000 0.294 500 N C 1.134 176.485 175.510 -0.265 0.000 1.129 500 N CA -1.411 51.513 53.050 -0.210 0.000 0.931 500 N CB 1.479 39.818 38.487 -0.247 0.000 1.193 500 N HN 0.352 8.611 8.380 -0.201 0.000 0.500 501 H N 0.518 119.314 119.070 -0.457 0.000 2.421 501 H HA -0.310 nan 4.556 nan 0.000 0.298 501 H C 2.132 177.315 175.328 -0.241 0.000 1.087 501 H CA 3.719 59.457 56.048 -0.517 0.000 1.330 501 H CB -0.045 28.951 29.762 -1.278 0.000 1.388 501 H HN 0.575 8.590 8.280 -0.443 0.000 0.526 502 Q N -1.156 117.944 119.800 -1.166 0.000 2.135 502 Q HA -0.335 nan 4.340 nan 0.000 0.204 502 Q C 0.792 176.593 176.000 -0.331 0.000 0.981 502 Q CA 2.611 57.946 55.803 -0.782 0.000 0.856 502 Q CB -0.838 27.530 28.738 -0.617 0.000 0.902 502 Q HN 0.341 7.858 8.270 -1.199 0.033 0.425 503 D N -2.560 117.677 120.400 -0.271 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.488 176.727 176.300 -0.103 0.000 0.965 503 D CA 0.546 54.443 54.000 -0.172 0.000 0.879 503 D CB 0.167 40.852 40.800 -0.192 0.000 0.921 503 D HN -0.604 7.647 8.370 -0.321 -0.074 0.510 504 S N 0.701 116.363 115.700 -0.062 0.000 2.715 504 S HA -0.353 nan 4.470 nan 0.000 0.318 504 S C 0.806 175.398 174.600 -0.013 0.000 1.242 504 S CA 0.609 58.814 58.200 0.008 0.000 1.044 504 S CB 0.343 63.584 63.200 0.069 0.000 0.760 504 S HN -0.473 7.589 8.310 -0.093 0.191 0.501 505 S N 8.699 124.393 115.700 -0.010 0.000 2.453 505 S HA -0.173 nan 4.470 nan 0.000 0.231 505 S C 1.631 176.169 174.600 -0.103 0.000 1.005 505 S CA 3.262 61.444 58.200 -0.030 0.000 0.949 505 S CB 0.110 63.309 63.200 -0.002 0.000 0.774 505 S HN 0.143 8.762 8.310 0.023 -0.295 0.510 506 V N -6.275 113.523 119.914 -0.193 0.000 2.719 506 V HA 0.045 nan 4.120 nan 0.000 0.252 506 V C -0.522 175.489 176.094 -0.139 0.000 1.065 506 V CA 1.437 63.471 62.300 -0.443 0.000 1.086 506 V CB -0.835 30.617 31.823 -0.618 0.000 0.700 506 V HN -0.630 7.448 8.190 -0.135 0.032 0.467 507 T N -3.849 110.705 114.554 0.001 0.000 2.945 507 T HA 0.535 nan 4.350 nan 0.000 0.286 507 T C -1.404 173.330 174.700 0.056 0.000 1.025 507 T CA -2.695 59.460 62.100 0.092 0.000 1.039 507 T CB 2.419 71.355 68.868 0.113 0.000 1.068 507 T HN -0.711 7.480 8.240 -0.017 0.039 0.497 508 I N 2.287 122.895 120.570 0.064 0.000 2.416 508 I HA 0.065 nan 4.170 nan 0.000 0.288 508 I C 0.003 176.108 176.117 -0.020 0.000 1.051 508 I CA -2.026 59.284 61.300 0.017 0.000 1.375 508 I CB 1.744 39.759 38.000 0.026 0.000 1.407 508 I HN 0.122 8.383 8.210 0.085 0.000 0.516 509 S N 9.420 125.085 115.700 -0.058 0.000 2.383 509 S HA -0.227 nan 4.470 nan 0.000 0.227 509 S C -0.143 174.413 174.600 -0.073 0.000 1.026 509 S CA 2.362 60.520 58.200 -0.070 0.000 0.981 509 S CB 0.464 63.607 63.200 -0.094 0.000 0.818 509 S HN 0.420 8.940 8.310 -0.071 -0.252 0.472 510 K N -1.358 118.976 120.400 -0.109 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.311 174.206 176.600 -0.138 0.000 0.935 510 K CA -0.058 56.170 56.287 -0.099 0.000 0.850 510 K CB 2.158 34.600 32.500 -0.097 0.000 1.372 510 K HN -0.804 7.358 8.250 -0.147 0.000 0.420 511 V N 2.112 121.982 119.914 -0.073 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.795 175.298 176.094 -0.002 0.000 1.024 511 V CA -1.820 60.447 62.300 -0.056 0.000 0.861 511 V CB 1.511 33.322 31.823 -0.019 0.000 0.985 511 V HN 0.104 8.269 8.190 -0.041 0.000 0.436 512 R N 6.823 127.367 120.500 0.074 0.000 2.390 512 R HA 0.170 nan 4.340 nan 0.000 0.291 512 R C -0.114 176.216 176.300 0.050 0.000 1.070 512 R CA -0.795 55.364 56.100 0.099 0.000 1.014 512 R CB 0.235 30.663 30.300 0.213 0.000 1.007 512 R HN 0.044 8.398 8.270 0.140 0.000 0.466 513 T N 1.907 116.481 114.554 0.033 0.000 2.899 513 T HA 0.204 nan 4.350 nan 0.000 0.295 513 T C 0.973 175.694 174.700 0.036 0.000 1.033 513 T CA -0.750 61.367 62.100 0.028 0.000 1.084 513 T CB 1.649 70.540 68.868 0.038 0.000 0.979 513 T HN 0.050 8.311 8.240 0.035 0.000 0.532 514 F N 5.589 125.403 119.950 -0.226 0.000 2.192 514 F HA -0.380 nan 4.527 nan 0.000 0.301 514 F C 1.268 176.942 175.800 -0.211 0.000 1.079 514 F CA 3.458 61.247 58.000 -0.351 0.000 1.303 514 F CB 0.204 38.678 39.000 -0.877 0.000 1.024 514 F HN 0.366 9.017 8.300 0.055 -0.318 0.494 515 D N -1.992 118.502 120.400 0.158 0.000 2.092 515 D HA -0.340 nan 4.640 nan 0.000 0.193 515 D C 2.495 178.844 176.300 0.082 0.000 0.994 515 D CA 3.470 57.554 54.000 0.139 0.000 0.828 515 D CB -0.754 40.114 40.800 0.113 0.000 0.963 515 D HN -0.434 8.016 8.370 0.121 -0.008 0.450 516 Q N -0.794 119.037 119.800 0.052 0.000 2.030 516 Q HA -0.294 nan 4.340 nan 0.000 0.204 516 Q C 2.968 178.974 176.000 0.010 0.000 0.986 516 Q CA 2.791 58.612 55.803 0.030 0.000 0.843 516 Q CB 0.109 28.866 28.738 0.032 0.000 0.904 516 Q HN -0.586 7.626 8.270 0.054 0.090 0.420 517 L N -1.345 119.868 121.223 -0.016 0.000 2.129 517 L HA -0.316 nan 4.340 nan 0.000 0.212 517 L C 2.182 179.019 176.870 -0.055 0.000 1.087 517 L CA 2.242 57.032 54.840 -0.084 0.000 0.757 517 L CB -0.779 41.165 42.059 -0.191 0.000 0.896 517 L HN 0.279 8.505 8.230 -0.006 0.000 0.434 518 G N -2.088 106.727 108.800 0.025 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 -0.207 174.709 174.900 0.027 0.000 1.130 518 G CA 0.972 46.110 45.100 0.063 0.000 0.760 518 G HN -0.065 8.053 8.290 0.065 0.212 0.557 519 A N 1.140 123.968 122.820 0.012 0.000 2.109 519 A HA 0.266 nan 4.320 nan 0.000 0.220 519 A C -0.412 177.161 177.584 -0.018 0.000 1.613 519 A CA 0.344 52.382 52.037 0.001 0.000 0.620 519 A CB 1.170 20.173 19.000 0.005 0.000 1.212 519 A HN -0.204 7.826 8.150 0.016 0.130 0.508 520 G N -1.849 106.937 108.800 -0.025 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 -0.028 0.000 2.173 520 G CA -0.488 44.587 45.100 -0.040 0.000 1.042 520 G HN 0.016 8.296 8.290 -0.016 0.000 0.588 521 E N 0.957 121.144 120.200 -0.021 0.000 2.405 521 E HA 0.361 nan 4.350 nan 0.000 0.249 521 E C -0.825 175.781 176.600 0.009 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 0.035 0.000 1.262 521 E HN 0.077 8.416 8.360 -0.036 0.000 0.442 522 G N -0.322 108.496 108.800 0.029 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 -1.390 173.532 174.900 0.037 0.000 1.248 522 G CA 0.291 45.403 45.100 0.021 0.000 0.858 522 G HN 0.221 8.533 8.290 0.037 0.000 0.549 523 V N -0.053 119.916 119.914 0.092 0.000 2.374 523 V HA -0.107 nan 4.120 nan 0.000 0.241 523 V C -0.204 175.936 176.094 0.076 0.000 1.034 523 V CA 1.725 64.070 62.300 0.076 0.000 1.037 523 V CB 0.402 32.277 31.823 0.087 0.000 0.682 523 V HN 0.362 8.636 8.190 0.141 0.000 0.463 524 S N -0.868 114.911 115.700 0.131 0.000 4.572 524 S HA -0.098 nan 4.470 nan 0.000 0.234 524 S C -1.720 172.897 174.600 0.028 0.000 1.071 524 S CA 0.247 58.477 58.200 0.050 0.000 1.087 524 S CB 0.355 63.568 63.200 0.022 0.000 1.979 524 S HN -0.317 8.155 8.310 0.271 0.000 0.503 525 E N 1.392 121.585 120.200 -0.011 0.000 2.646 525 E HA 0.247 nan 4.350 nan 0.000 0.336 525 E C -1.842 174.715 176.600 -0.071 0.000 1.027 525 E CA 0.293 56.635 56.400 -0.097 0.000 0.765 525 E CB 1.717 31.341 29.700 -0.126 0.000 1.545 525 E HN -0.167 8.196 8.360 0.005 0.000 0.382 526 D N 2.872 123.251 120.400 -0.036 0.000 3.093 526 D HA 0.463 nan 4.640 nan 0.000 0.200 526 D C -0.758 175.507 176.300 -0.058 0.000 1.344 526 D CA -0.796 53.184 54.000 -0.034 0.000 1.133 526 D CB 3.016 43.816 40.800 -0.000 0.000 1.188 526 D HN 0.095 8.455 8.370 -0.016 0.000 0.583 527 S N -0.703 114.974 115.700 -0.037 0.000 4.055 527 S HA 0.207 nan 4.470 nan 0.000 0.180 527 S C 1.742 176.323 174.600 -0.033 0.000 1.191 527 S CA 1.038 59.199 58.200 -0.064 0.000 1.195 527 S CB 0.711 63.864 63.200 -0.079 0.000 1.932 527 S HN 0.051 8.351 8.310 -0.017 0.000 0.781 528 T N 4.107 118.643 114.554 -0.030 0.000 2.951 528 T HA -0.147 nan 4.350 nan 0.000 0.268 528 T C 1.286 175.952 174.700 -0.056 0.000 1.073 528 T CA 4.451 66.563 62.100 0.019 0.000 1.134 528 T CB -0.211 68.707 68.868 0.083 0.000 0.884 528 T HN 0.547 8.755 8.240 -0.054 0.000 0.479 529 E N 0.310 120.473 120.200 -0.062 0.000 2.274 529 E HA -0.255 nan 4.350 nan 0.000 0.194 529 E C 1.855 178.410 176.600 -0.075 0.000 0.996 529 E CA 1.873 58.227 56.400 -0.078 0.000 0.840 529 E CB -1.428 28.246 29.700 -0.044 0.000 0.772 529 E HN -0.099 8.196 8.360 -0.062 0.027 0.491 530 Y N 2.656 122.864 120.300 -0.154 0.000 2.029 530 Y HA -0.508 nan 4.550 nan 0.000 0.269 530 Y C -0.219 175.614 175.900 -0.112 0.000 1.201 530 Y CA 3.593 61.621 58.100 -0.120 0.000 1.115 530 Y CB 0.124 38.511 38.460 -0.123 0.000 0.945 530 Y HN -0.329 7.790 8.280 0.062 0.198 0.497 531 C N -7.459 111.750 119.300 -0.153 0.000 3.730 531 C HA 0.239 nan 4.460 nan 0.000 0.397 531 C C 0.648 175.541 174.990 -0.162 0.000 1.468 531 C CA -2.245 56.592 59.018 -0.301 0.000 1.931 531 C CB 0.152 27.791 27.740 -0.169 0.000 2.773 531 C HN 0.284 8.530 8.230 0.027 0.000 0.692 532 S N 2.631 118.183 115.700 -0.246 0.000 2.361 532 S HA -0.213 nan 4.470 nan 0.000 0.214 532 S C 0.409 174.899 174.600 -0.184 0.000 1.034 532 S CA 2.578 60.454 58.200 -0.540 0.000 1.025 532 S CB 0.110 62.452 63.200 -1.431 0.000 0.996 532 S HN -0.230 7.937 8.310 -0.237 0.000 0.422 533 C N -0.513 118.701 119.300 -0.143 0.000 2.876 533 C HA -0.104 nan 4.460 nan 0.000 0.276 533 C C 0.147 175.371 174.990 0.389 0.000 1.582 533 C CA 1.443 60.613 59.018 0.253 0.000 2.061 533 C CB 0.485 28.338 27.740 0.189 0.000 2.044 533 C HN -0.318 7.634 8.230 -0.248 0.129 0.647 534 G N -0.591 108.557 108.800 0.580 0.000 2.728 534 G HA2 -0.334 nan 3.960 nan 0.000 0.686 534 G HA3 -0.334 nan 3.960 nan 0.000 0.686 534 G C -1.411 173.696 174.900 0.344 0.000 1.337 534 G CA -0.546 44.803 45.100 0.415 0.000 0.861 534 G HN 0.131 8.827 8.290 0.678 0.000 0.597 535 W N 2.035 123.315 121.300 -0.035 0.000 2.190 535 W HA 0.033 nan 4.660 nan 0.000 0.330 535 W C -1.319 175.156 176.519 -0.073 0.000 1.299 535 W CA -1.763 55.488 57.345 -0.156 0.000 1.215 535 W CB 1.178 30.683 29.460 0.074 0.000 1.147 535 W HN 0.639 8.972 8.180 0.414 0.095 0.563 536 P HA -0.174 nan 4.420 nan 0.000 0.266 536 P C -1.008 176.137 177.300 -0.260 0.000 1.195 536 P CA 0.344 63.240 63.100 -0.339 0.000 0.768 536 P CB 0.379 31.731 31.700 -0.581 0.000 0.838 537 E N 4.020 124.158 120.200 -0.104 0.000 2.077 537 E HA -0.397 nan 4.350 nan 0.000 0.193 537 E C 2.043 178.679 176.600 0.059 0.000 0.989 537 E CA 3.456 59.883 56.400 0.046 0.000 0.800 537 E CB 0.050 29.796 29.700 0.076 0.000 0.746 537 E HN 0.717 9.038 8.360 -0.066 0.000 0.452 538 H N -3.324 115.772 119.070 0.043 0.000 2.421 538 H HA -0.168 nan 4.556 nan 0.000 0.298 538 H C 1.803 177.282 175.328 0.251 0.000 1.087 538 H CA 2.418 58.512 56.048 0.078 0.000 1.330 538 H CB -0.741 29.060 29.762 0.065 0.000 1.388 538 H HN 0.224 8.459 8.280 -0.076 0.000 0.526 539 M N -1.995 117.522 119.600 -0.138 0.000 2.630 539 M HA -0.094 nan 4.480 nan 0.000 0.254 539 M C 1.710 178.220 176.300 0.350 0.000 1.092 539 M CA -0.376 54.981 55.300 0.095 0.000 1.087 539 M CB -1.535 30.965 32.600 -0.167 0.000 1.453 539 M HN -0.699 7.175 8.290 -0.616 0.047 0.509 540 L N -0.032 121.418 121.223 0.379 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.456 176.537 176.870 0.205 0.000 1.075 540 L CA 2.943 57.993 54.840 0.351 0.000 0.752 540 L CB 0.232 42.533 42.059 0.403 0.000 0.891 540 L HN -0.511 7.774 8.230 0.385 0.176 0.432 541 I N -4.510 116.123 120.570 0.104 0.000 2.797 541 I HA 0.211 nan 4.170 nan 0.000 0.307 541 I C -2.431 173.708 176.117 0.036 0.000 1.033 541 I CA -3.667 57.610 61.300 -0.039 0.000 1.071 541 I CB 0.703 38.557 38.000 -0.242 0.000 1.255 541 I HN -0.556 7.760 8.210 0.189 0.008 0.445 542 P HA 0.121 nan 4.420 nan 0.000 0.272 542 P C -1.253 176.064 177.300 0.029 0.000 1.240 542 P CA -0.602 62.497 63.100 -0.002 0.000 0.791 542 P CB 0.641 32.275 31.700 -0.110 0.000 0.978 543 R N 0.610 121.170 120.500 0.099 0.000 2.081 543 R HA -0.315 nan 4.340 nan 0.000 0.235 543 R C 0.640 176.999 176.300 0.099 0.000 1.131 543 R CA 1.522 57.649 56.100 0.044 0.000 0.960 543 R CB 0.685 30.856 30.300 -0.215 0.000 0.856 543 R HN -0.136 8.469 8.270 0.164 -0.236 0.436 544 G N -2.125 106.755 108.800 0.133 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 -1.007 173.987 174.900 0.157 0.000 1.312 544 G CA -0.321 44.914 45.100 0.226 0.000 0.896 544 G HN -0.666 7.709 8.290 0.140 0.000 0.574 545 S N -0.557 115.245 115.700 0.170 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.207 174.926 174.600 0.198 0.000 1.159 545 S CA -1.579 56.714 58.200 0.154 0.000 0.833 545 S CB 2.844 66.097 63.200 0.088 0.000 1.151 545 S HN -0.400 8.020 8.310 0.184 0.000 0.485 546 H N 4.137 123.289 119.070 0.136 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.555 174.814 175.328 0.069 0.000 1.087 546 H CA 3.204 59.322 56.048 0.117 0.000 1.330 546 H CB 0.336 30.148 29.762 0.083 0.000 1.388 546 H HN 0.704 9.156 8.280 0.288 0.000 0.526 547 K N -5.585 114.899 120.400 0.140 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.163 176.774 176.600 0.019 0.000 1.050 547 K CA 0.304 56.631 56.287 0.066 0.000 0.945 547 K CB -0.144 32.374 32.500 0.030 0.000 0.732 547 K HN -0.220 8.122 8.250 0.172 0.012 0.451 548 G N 0.838 109.659 108.800 0.035 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 -1.387 173.551 174.900 0.063 0.000 1.013 548 G CA -0.532 44.597 45.100 0.048 0.000 1.226 548 G HN -0.423 7.721 8.290 0.062 0.183 0.563 549 M N 2.112 121.780 119.600 0.113 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.494 174.879 176.300 0.122 0.000 1.130 549 M CA 0.540 55.880 55.300 0.067 0.000 1.162 549 M CB 2.195 34.855 32.600 0.099 0.000 1.497 549 M HN 0.077 8.467 8.290 0.166 0.000 0.456 550 E N 3.242 123.459 120.200 0.028 0.000 2.227 550 E HA 0.545 nan 4.350 nan 0.000 0.282 550 E C -0.933 175.548 176.600 -0.197 0.000 1.015 550 E CA -0.179 56.269 56.400 0.081 0.000 0.823 550 E CB 1.323 31.138 29.700 0.192 0.000 1.081 550 E HN 0.225 8.596 8.360 0.018 0.000 0.396 551 F N 3.088 123.075 119.950 0.061 0.000 2.576 551 F HA 0.541 nan 4.527 nan 0.000 0.313 551 F C -1.594 174.231 175.800 0.043 0.000 1.078 551 F CA -1.375 56.645 58.000 0.033 0.000 0.921 551 F CB 4.357 43.370 39.000 0.022 0.000 1.232 551 F HN 0.594 9.074 8.300 0.300 0.000 0.459 552 E N 1.521 121.851 120.200 0.217 0.000 2.313 552 E HA 0.434 nan 4.350 nan 0.000 0.276 552 E C -1.840 174.932 176.600 0.286 0.000 1.031 552 E CA -0.835 55.693 56.400 0.214 0.000 0.857 552 E CB 2.408 32.233 29.700 0.209 0.000 1.040 552 E HN 0.818 9.179 8.360 0.156 0.093 0.408 553 L N 6.886 128.262 121.223 0.255 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.268 174.776 176.870 0.290 0.000 1.013 553 L CA -0.794 54.191 54.840 0.243 0.000 0.819 553 L CB 2.358 44.512 42.059 0.159 0.000 1.227 553 L HN 0.400 8.656 8.230 0.212 0.101 0.417 554 F N 9.498 129.564 119.950 0.194 0.000 2.467 554 F HA 0.673 nan 4.527 nan 0.000 0.336 554 F C -2.408 173.477 175.800 0.142 0.000 1.123 554 F CA -1.924 56.191 58.000 0.191 0.000 0.964 554 F CB 3.540 42.704 39.000 0.273 0.000 1.136 554 F HN 0.765 9.327 8.300 0.437 0.000 0.447 555 V N 8.477 128.025 119.914 -0.610 0.000 2.588 555 V HA 0.722 nan 4.120 nan 0.000 0.304 555 V C -2.531 173.140 176.094 -0.705 0.000 1.042 555 V CA -1.440 60.595 62.300 -0.442 0.000 0.877 555 V CB 2.940 34.598 31.823 -0.275 0.000 0.996 555 V HN 0.989 8.692 8.190 -0.812 0.000 0.425 556 M N 5.549 124.930 119.600 -0.364 0.000 2.457 556 M HA 0.855 nan 4.480 nan 0.000 0.300 556 M C -2.646 173.579 176.300 -0.124 0.000 1.141 556 M CA -1.288 53.871 55.300 -0.234 0.000 0.901 556 M CB 4.396 37.015 32.600 0.033 0.000 1.687 556 M HN 0.669 8.852 8.290 -0.178 0.000 0.449 557 L N 5.240 126.400 121.223 -0.105 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 -0.750 54.008 54.840 -0.136 0.000 0.817 557 L CB 1.950 43.912 42.059 -0.161 0.000 1.272 557 L HN 0.437 8.612 8.230 -0.091 0.000 0.421 558 T N 2.230 116.683 114.554 -0.167 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.923 172.543 174.700 -0.390 0.000 1.064 558 T CA -1.672 60.336 62.100 -0.153 0.000 1.011 558 T CB 3.252 72.106 68.868 -0.022 0.000 1.152 558 T HN -0.007 8.113 8.240 -0.200 0.000 0.510 559 D N 1.181 121.374 120.400 -0.345 0.000 2.358 559 D HA 0.043 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 -0.529 53.275 54.000 -0.327 0.000 0.886 559 D CB 0.555 41.482 40.800 0.212 0.000 1.120 559 D HN 0.379 8.702 8.370 -0.079 0.000 0.482 560 H N 8.651 127.694 119.070 -0.046 0.000 2.389 560 H HA -0.329 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 4.075 60.171 56.048 0.081 0.000 1.345 560 H CB 0.636 30.616 29.762 0.363 0.000 1.393 560 H HN 0.244 8.570 8.280 0.076 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 1.790 178.054 176.300 -0.060 0.000 0.992 561 D CA 3.119 57.138 54.000 0.033 0.000 0.833 561 D CB -0.496 40.368 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 -0.888 119.293 120.200 -0.032 0.000 2.047 562 E HA -0.220 nan 4.350 nan 0.000 0.191 562 E C 1.270 177.790 176.600 -0.134 0.000 0.987 562 E CA 2.189 58.554 56.400 -0.058 0.000 0.799 562 E CB 0.233 29.917 29.700 -0.027 0.000 0.752 562 E HN -0.482 7.889 8.360 0.023 0.003 0.449 563 D N -2.054 118.229 120.400 -0.194 0.000 2.144 563 D HA -0.136 nan 4.640 nan 0.000 0.199 563 D C 0.254 176.381 176.300 -0.288 0.000 0.984 563 D CA 1.860 55.721 54.000 -0.231 0.000 0.834 563 D CB 0.442 41.108 40.800 -0.223 0.000 0.955 563 D HN -0.469 7.736 8.370 -0.167 0.065 0.465 564 T N -0.957 113.320 114.554 -0.463 0.000 2.882 564 T HA 0.065 nan 4.350 nan 0.000 0.287 564 T C -0.022 174.559 174.700 -0.198 0.000 1.014 564 T CA 0.091 61.968 62.100 -0.373 0.000 1.049 564 T CB 0.851 69.430 68.868 -0.482 0.000 1.001 564 T HN -0.299 7.593 8.240 -0.580 0.000 0.525 565 V N -0.145 119.689 119.914 -0.133 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.032 175.019 176.094 -0.073 0.000 1.060 565 V CA -2.907 59.344 62.300 -0.081 0.000 0.989 565 V CB 1.371 33.164 31.823 -0.050 0.000 1.041 565 V HN 0.111 8.220 8.190 -0.134 0.000 0.459 566 A N 2.191 124.980 122.820 -0.053 0.000 2.325 566 A HA 0.573 nan 4.320 nan 0.000 0.333 566 A C -0.631 176.934 177.584 -0.031 0.000 1.155 566 A CA -0.396 51.614 52.037 -0.046 0.000 0.814 566 A CB 1.625 20.602 19.000 -0.040 0.000 1.206 566 A HN 0.371 8.495 8.150 -0.044 0.000 0.482 567 G N -1.076 107.707 108.800 -0.029 0.000 2.322 567 G HA2 0.083 nan 3.960 nan 0.000 0.295 567 G HA3 0.083 nan 3.960 nan 0.000 0.295 567 G C -1.970 172.918 174.900 -0.020 0.000 1.369 567 G CA -0.202 44.887 45.100 -0.019 0.000 0.821 567 G HN -0.123 8.145 8.290 -0.035 0.000 0.536 568 L N 0.833 122.047 121.223 -0.013 0.000 2.377 568 L HA 0.407 nan 4.340 nan 0.000 0.270 568 L C -0.484 176.380 176.870 -0.010 0.000 0.991 568 L CA 0.216 55.048 54.840 -0.014 0.000 0.851 568 L CB 0.998 43.050 42.059 -0.011 0.000 1.218 568 L HN 0.256 8.481 8.230 -0.008 0.000 0.420 569 S N 3.632 119.324 115.700 -0.014 0.000 4.302 569 S HA 0.201 nan 4.470 nan 0.000 0.218 569 S C -1.007 173.585 174.600 -0.013 0.000 1.068 569 S CA -0.903 57.290 58.200 -0.011 0.000 1.744 569 S CB 1.029 64.221 63.200 -0.013 0.000 0.931 569 S HN 0.343 8.641 8.310 -0.020 0.000 0.734 570 E N 1.248 121.438 120.200 -0.016 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.866 175.722 176.600 -0.020 0.000 1.028 570 E CA -0.679 55.711 56.400 -0.016 0.000 0.897 570 E CB 1.536 31.227 29.700 -0.015 0.000 1.262 570 E HN 0.143 8.493 8.360 -0.017 0.000 0.442 571 N N -0.893 117.795 118.700 -0.019 0.000 2.235 571 N HA -0.107 nan 4.740 nan 0.000 0.231 571 N C -1.201 174.296 175.510 -0.021 0.000 1.330 571 N CA -0.073 52.965 53.050 -0.020 0.000 0.898 571 N CB 0.450 38.926 38.487 -0.019 0.000 1.151 571 N HN -0.104 8.266 8.380 -0.017 0.000 0.472 572 A N -0.841 121.966 122.820 -0.021 0.000 2.476 572 A HA -0.012 nan 4.320 nan 0.000 0.275 572 A C -1.421 176.153 177.584 -0.017 0.000 1.133 572 A CA 0.527 52.551 52.037 -0.021 0.000 0.797 572 A CB 0.027 19.014 19.000 -0.021 0.000 1.081 572 A HN 0.153 8.290 8.150 -0.021 0.000 0.510 573 V N 3.109 123.013 119.914 -0.018 0.000 3.528 573 V HA 0.302 nan 4.120 nan 0.000 0.301 573 V C -0.796 175.289 176.094 -0.015 0.000 1.332 573 V CA -2.175 60.117 62.300 -0.013 0.000 1.004 573 V CB 3.687 35.501 31.823 -0.016 0.000 1.222 573 V HN -0.128 8.050 8.190 -0.020 0.000 0.478 574 C N 2.140 121.432 119.300 -0.012 0.000 2.551 574 C HA 0.216 nan 4.460 nan 0.000 0.378 574 C C 0.255 175.239 174.990 -0.010 0.000 1.101 574 C CA 0.263 59.272 59.018 -0.015 0.000 1.360 574 C CB -2.860 24.874 27.740 -0.010 0.000 1.895 574 C HN 0.092 8.315 8.230 -0.011 0.000 0.540 575 S N 6.558 122.249 115.700 -0.016 0.000 2.679 575 S HA 0.082 nan 4.470 nan 0.000 0.258 575 S C 0.919 175.513 174.600 -0.010 0.000 1.068 575 S CA 0.905 59.097 58.200 -0.013 0.000 1.115 575 S CB 1.362 64.549 63.200 -0.022 0.000 1.078 575 S HN 0.445 8.714 8.310 -0.023 0.027 0.603 576 D N 3.908 124.297 120.400 -0.018 0.000 2.370 576 D HA -0.356 nan 4.640 nan 0.000 0.190 576 D C -0.299 175.997 176.300 -0.007 0.000 1.019 576 D CA 2.967 56.953 54.000 -0.022 0.000 0.869 576 D CB -0.024 40.751 40.800 -0.041 0.000 0.944 576 D HN 0.371 8.724 8.370 -0.027 0.000 0.456 577 A N -3.279 119.551 122.820 0.017 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 0.083 0.000 1.323 577 A CA -0.522 51.546 52.037 0.051 0.000 0.913 577 A CB -0.304 18.761 19.000 0.108 0.000 1.028 577 A HN -0.182 7.966 8.150 0.016 0.012 0.511 578 V N -2.897 117.043 119.914 0.043 0.000 2.370 578 V HA -0.541 nan 4.120 nan 0.000 0.252 578 V C 1.925 178.093 176.094 0.124 0.000 1.068 578 V CA 3.417 65.743 62.300 0.043 0.000 1.061 578 V CB -1.347 30.433 31.823 -0.072 0.000 0.656 578 V HN -0.199 7.916 8.190 0.015 0.083 0.455 579 S N 2.116 117.854 115.700 0.064 0.000 2.374 579 S HA -0.342 nan 4.470 nan 0.000 0.227 579 S C 2.100 176.939 174.600 0.398 0.000 1.037 579 S CA 3.907 62.176 58.200 0.114 0.000 1.024 579 S CB -0.052 63.044 63.200 -0.174 0.000 0.861 579 S HN -0.454 7.819 8.310 -0.016 0.027 0.456 580 Y N -1.323 119.184 120.300 0.345 0.000 2.558 580 Y HA 0.159 nan 4.550 nan 0.000 0.273 580 Y C 1.553 177.758 175.900 0.508 0.000 1.100 580 Y CA 0.182 58.532 58.100 0.415 0.000 1.276 580 Y CB -0.010 38.650 38.460 0.332 0.000 1.196 580 Y HN -0.720 7.678 8.280 0.231 0.020 0.527 581 C N -3.792 115.865 119.300 0.595 0.000 2.504 581 C HA 0.095 nan 4.460 nan 0.000 0.279 581 C C 0.324 175.563 174.990 0.414 0.000 1.358 581 C CA 1.881 61.197 59.018 0.496 0.000 1.747 581 C CB -0.081 27.883 27.740 0.373 0.000 2.037 581 C HN -0.322 8.197 8.230 0.481 0.000 0.503 582 G N -1.138 107.893 108.800 0.385 0.000 2.660 582 G HA2 -0.315 nan 3.960 nan 0.000 0.215 582 G HA3 -0.315 nan 3.960 nan 0.000 0.215 582 G C -2.394 172.590 174.900 0.140 0.000 1.345 582 G CA -0.586 44.712 45.100 0.331 0.000 0.877 582 G HN -0.346 8.031 8.290 0.361 0.129 0.549 583 A N -0.252 122.615 122.820 0.079 0.000 2.380 583 A HA 0.306 nan 4.320 nan 0.000 0.315 583 A C -0.915 176.671 177.584 0.004 0.000 1.101 583 A CA -1.552 50.494 52.037 0.016 0.000 0.771 583 A CB 2.586 21.572 19.000 -0.023 0.000 1.287 583 A HN 0.221 8.440 8.150 0.115 0.000 0.436 584 R N 2.157 122.644 120.500 -0.021 0.000 2.484 584 R HA -0.286 nan 4.340 nan 0.000 0.293 584 R C -0.159 176.122 176.300 -0.032 0.000 1.023 584 R CA 0.947 57.019 56.100 -0.048 0.000 1.037 584 R CB -0.256 30.016 30.300 -0.047 0.000 0.951 584 R HN 0.336 8.595 8.270 -0.018 0.000 0.418 585 D N 3.963 124.341 120.400 -0.038 0.000 2.701 585 D HA -0.289 nan 4.640 nan 0.000 0.235 585 D C -1.634 174.668 176.300 0.003 0.000 1.155 585 D CA 1.545 55.541 54.000 -0.006 0.000 0.649 585 D CB -0.443 40.364 40.800 0.011 0.000 1.050 585 D HN 0.243 8.571 8.370 -0.069 0.000 0.425 586 D N -1.917 118.486 120.400 0.006 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.548 176.300 0.036 0.000 1.178 586 D CA -1.176 52.831 54.000 0.012 0.000 0.881 586 D CB 2.377 43.174 40.800 -0.006 0.000 1.453 586 D HN -0.782 7.581 8.370 0.004 0.009 0.447 587 R N 2.882 123.403 120.500 0.036 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.769 175.582 176.300 0.084 0.000 1.078 587 R CA -0.191 55.951 56.100 0.069 0.000 1.127 587 R CB 1.094 31.423 30.300 0.049 0.000 1.038 587 R HN 0.391 8.673 8.270 0.020 0.000 0.500 588 Y N 3.900 124.212 120.300 0.020 0.000 2.632 588 Y HA -0.067 nan 4.550 nan 0.000 0.329 588 Y C -1.715 174.183 175.900 -0.004 0.000 1.174 588 Y CA -1.571 56.541 58.100 0.019 0.000 1.469 588 Y CB 1.000 39.469 38.460 0.016 0.000 1.242 588 Y HN 0.244 8.676 8.280 0.253 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.992 175.183 177.300 -0.208 0.000 1.184 589 P CA 0.772 63.705 63.100 -0.278 0.000 0.760 589 P CB 0.239 31.774 31.700 -0.276 0.000 0.884 590 D N -3.558 116.767 120.400 -0.125 0.000 2.505 590 D HA 0.095 nan 4.640 nan 0.000 0.249 590 D C -0.903 175.456 176.300 0.099 0.000 1.082 590 D CA -1.644 52.365 54.000 0.015 0.000 0.839 590 D CB 2.322 43.186 40.800 0.108 0.000 1.317 590 D HN -0.943 7.339 8.370 -0.033 0.068 0.497 591 K N 3.986 124.372 120.400 -0.024 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.998 177.556 176.600 -0.070 0.000 1.050 591 K CA 1.182 57.441 56.287 -0.046 0.000 0.938 591 K CB 0.505 32.947 32.500 -0.095 0.000 0.718 591 K HN 0.274 8.375 8.250 -0.079 0.101 0.442 592 K N -0.912 119.416 120.400 -0.121 0.000 2.380 592 K HA -0.183 nan 4.320 nan 0.000 0.267 592 K C -0.350 176.204 176.600 -0.075 0.000 0.990 592 K CA -0.022 56.136 56.287 -0.217 0.000 0.946 592 K CB 0.322 32.587 32.500 -0.392 0.000 0.937 592 K HN -0.608 7.859 8.250 -0.115 -0.286 0.491 593 A N 1.112 123.903 122.820 -0.048 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.363 177.979 177.584 0.053 0.000 1.070 593 A CA 0.293 52.343 52.037 0.021 0.000 0.770 593 A CB 0.456 19.514 19.000 0.097 0.000 1.008 593 A HN 0.211 8.298 8.150 -0.104 0.000 0.497 594 M N 2.626 122.196 119.600 -0.049 0.000 2.246 594 M HA -0.312 nan 4.480 nan 0.000 0.350 594 M C 0.809 177.152 176.300 0.070 0.000 1.406 594 M CA 2.180 57.356 55.300 -0.207 0.000 1.089 594 M CB -0.037 32.175 32.600 -0.647 0.000 1.782 594 M HN -0.215 8.272 8.290 -0.057 -0.230 0.457 595 G N 0.988 109.907 108.800 0.199 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 -0.718 174.296 174.900 0.190 0.000 0.986 595 G CA -0.428 44.913 45.100 0.400 0.000 0.643 595 G HN 0.293 8.677 8.290 0.155 0.000 0.522 596 F N 3.324 123.286 119.950 0.020 0.000 2.602 596 F HA -0.034 nan 4.527 nan 0.000 0.367 596 F C -2.194 173.427 175.800 -0.298 0.000 1.126 596 F CA -0.959 56.954 58.000 -0.146 0.000 1.321 596 F CB 1.124 40.042 39.000 -0.137 0.000 1.094 596 F HN -0.515 7.913 8.300 0.324 0.067 0.594 597 P HA -0.049 nan 4.420 nan 0.000 0.245 597 P C 0.025 176.645 177.300 -1.134 0.000 1.212 597 P CA 0.987 62.936 63.100 -1.917 0.000 0.774 597 P CB -0.070 30.582 31.700 -1.748 0.000 0.999 598 F N -0.808 118.768 119.950 -0.624 0.000 2.407 598 F HA -0.340 nan 4.527 nan 0.000 0.299 598 F C 0.523 176.235 175.800 -0.147 0.000 1.097 598 F CA 2.876 60.594 58.000 -0.470 0.000 1.422 598 F CB -0.931 37.743 39.000 -0.544 0.000 1.067 598 F HN -0.046 7.634 8.300 -0.894 0.083 0.539 599 D N -2.843 117.631 120.400 0.124 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.370 176.763 176.300 0.155 0.000 0.980 599 D CA 2.174 56.294 54.000 0.200 0.000 0.842 599 D CB -0.454 40.490 40.800 0.239 0.000 0.948 599 D HN 0.025 8.388 8.370 0.071 0.049 0.472 600 R N -1.580 119.014 120.500 0.158 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.360 175.958 176.300 0.029 0.000 1.048 600 R CA -1.207 54.920 56.100 0.045 0.000 1.086 600 R CB 1.497 31.698 30.300 -0.165 0.000 1.166 600 R HN -0.897 7.532 8.270 0.264 0.000 0.526 601 K N 0.910 121.316 120.400 0.010 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.659 175.955 176.600 0.022 0.000 0.999 601 K CA 0.519 56.815 56.287 0.014 0.000 0.980 601 K CB 0.384 32.889 32.500 0.008 0.000 0.919 601 K HN 0.261 8.508 8.250 -0.004 0.000 0.484 602 I N 5.008 125.585 120.570 0.011 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.784 175.373 176.117 0.066 0.000 0.994 602 I CA -0.687 60.631 61.300 0.031 0.000 1.158 602 I CB 1.019 38.965 38.000 -0.090 0.000 1.315 602 I HN 0.135 8.348 8.210 0.005 0.000 0.451 603 E N 7.055 127.322 120.200 0.111 0.000 2.106 603 E HA -0.183 nan 4.350 nan 0.000 0.192 603 E C -0.230 176.420 176.600 0.084 0.000 0.984 603 E CA 1.850 58.302 56.400 0.087 0.000 0.806 603 E CB 0.439 30.195 29.700 0.094 0.000 0.750 603 E HN 0.378 8.836 8.360 0.164 0.000 0.458 604 A N -3.034 119.859 122.820 0.121 0.000 2.407 604 A HA 0.042 nan 4.320 nan 0.000 0.248 604 A C 0.628 178.256 177.584 0.074 0.000 1.082 604 A CA 0.293 52.394 52.037 0.106 0.000 0.785 604 A CB 0.551 19.643 19.000 0.154 0.000 1.020 604 A HN -0.417 7.812 8.150 0.175 0.026 0.489 605 R N -0.189 120.344 120.500 0.055 0.000 2.090 605 R HA -0.143 nan 4.340 nan 0.000 0.228 605 R C -0.001 176.321 176.300 0.037 0.000 1.110 605 R CA 1.308 57.429 56.100 0.036 0.000 0.973 605 R CB 0.314 30.630 30.300 0.026 0.000 0.869 605 R HN 0.459 8.763 8.270 0.057 0.000 0.440 606 T N -4.004 110.583 114.554 0.055 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.620 174.139 174.700 0.098 0.000 1.034 606 T CA -2.121 60.013 62.100 0.056 0.000 1.010 606 T CB 2.796 71.692 68.868 0.047 0.000 1.068 606 T HN -0.935 7.345 8.240 0.067 0.000 0.481 607 A N 4.961 127.842 122.820 0.103 0.000 1.933 607 A HA -0.168 nan 4.320 nan 0.000 0.218 607 A C 1.604 179.312 177.584 0.206 0.000 1.175 607 A CA 3.101 55.231 52.037 0.155 0.000 0.628 607 A CB -0.185 18.915 19.000 0.166 0.000 0.814 607 A HN 0.429 8.622 8.150 0.072 0.000 0.444 608 A N -2.277 120.635 122.820 0.154 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.377 180.045 177.584 0.141 0.000 1.176 608 A CA 2.742 54.867 52.037 0.146 0.000 0.631 608 A CB -0.639 18.417 19.000 0.095 0.000 0.814 608 A HN -0.346 7.852 8.150 0.116 0.022 0.446 609 E N -1.891 118.386 120.200 0.128 0.000 2.153 609 E HA -0.320 nan 4.350 nan 0.000 0.194 609 E C 1.050 177.717 176.600 0.112 0.000 0.988 609 E CA 1.954 58.414 56.400 0.100 0.000 0.811 609 E CB -0.192 29.562 29.700 0.089 0.000 0.746 609 E HN -0.562 7.760 8.360 0.125 0.114 0.466 610 F N -2.747 117.227 119.950 0.039 0.000 2.186 610 F HA -0.225 nan 4.527 nan 0.000 0.299 610 F C -0.289 175.532 175.800 0.036 0.000 1.090 610 F CA 1.413 59.427 58.000 0.023 0.000 1.307 610 F CB 0.624 39.621 39.000 -0.006 0.000 1.019 610 F HN -0.681 7.644 8.300 0.313 0.162 0.489 611 L N -1.009 120.296 121.223 0.138 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 0.852 55.754 54.840 0.103 0.000 0.878 611 L CB -0.154 41.999 42.059 0.157 0.000 1.127 611 L HN -0.709 7.498 8.230 0.216 0.153 0.492 612 T N -0.344 114.168 114.554 -0.070 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.602 174.085 174.700 -0.022 0.000 0.989 612 T CA -3.105 58.951 62.100 -0.073 0.000 0.968 612 T CB 0.474 69.292 68.868 -0.083 0.000 1.135 612 T HN -0.517 7.715 8.240 -0.012 0.000 0.562 613 P HA -0.032 nan 4.420 nan 0.000 0.223 613 P C -0.751 176.550 177.300 0.002 0.000 1.151 613 P CA 1.938 65.035 63.100 -0.005 0.000 0.787 613 P CB 0.137 31.834 31.700 -0.006 0.000 0.788 614 N N -4.042 114.667 118.700 0.016 0.000 2.327 614 N HA 0.016 nan 4.740 nan 0.000 0.231 614 N C -1.594 173.889 175.510 -0.046 0.000 1.130 614 N CA -0.825 52.237 53.050 0.019 0.000 0.845 614 N CB -0.280 38.266 38.487 0.097 0.000 1.073 614 N HN -0.459 7.891 8.380 0.018 0.041 0.496 615 M N -1.144 118.412 119.600 -0.073 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 -0.198 0.000 1.229 615 M CA -0.415 54.766 55.300 -0.198 0.000 0.860 615 M CB 5.271 37.879 32.600 0.014 0.000 1.741 615 M HN -0.693 7.481 8.290 -0.040 0.093 0.462 616 G N -1.023 107.550 108.800 -0.379 0.000 2.742 616 G HA2 0.243 nan 3.960 nan 0.000 0.296 616 G HA3 0.243 nan 3.960 nan 0.000 0.296 616 G C -3.574 171.245 174.900 -0.134 0.000 1.436 616 G CA 0.128 45.128 45.100 -0.167 0.000 0.928 616 G HN 0.467 8.275 8.290 -0.802 0.000 0.520 617 L N 0.169 121.422 121.223 0.050 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.878 176.054 176.870 0.103 0.000 0.988 617 L CA -0.614 54.315 54.840 0.149 0.000 0.824 617 L CB 3.026 45.233 42.059 0.247 0.000 1.263 617 L HN 0.053 8.317 8.230 0.056 0.000 0.410 618 T N 5.750 120.369 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.783 174.700 0.106 0.000 0.993 618 T CA -1.188 60.965 62.100 0.088 0.000 0.967 618 T CB 2.132 71.046 68.868 0.077 0.000 0.960 618 T HN 0.744 8.951 8.240 0.134 0.113 0.441 619 D N 4.551 125.004 120.400 0.088 0.000 2.249 619 D HA 0.650 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.328 176.300 0.089 0.000 1.114 619 D CA -0.929 53.127 54.000 0.093 0.000 0.854 619 D CB 0.493 41.334 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.497 116.140 120.570 0.111 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.878 174.315 176.117 0.126 0.000 1.095 620 I CA -2.569 58.782 61.300 0.085 0.000 1.000 620 I CB 3.830 41.856 38.000 0.043 0.000 1.229 620 I HN 0.396 8.694 8.210 0.147 0.000 0.454 621 K N -0.628 119.826 120.400 0.090 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.081 176.600 0.097 0.000 0.942 621 K CA -2.228 54.134 56.287 0.126 0.000 0.816 621 K CB 3.060 35.605 32.500 0.075 0.000 1.155 621 K HN 0.267 8.542 8.250 0.043 0.000 0.428 622 I N 2.694 123.364 120.570 0.167 0.000 2.389 622 I HA 0.528 nan 4.170 nan 0.000 0.288 622 I C -2.040 174.144 176.117 0.112 0.000 0.999 622 I CA -0.984 60.367 61.300 0.086 0.000 1.129 622 I CB 1.942 39.963 38.000 0.035 0.000 1.288 622 I HN 0.699 9.078 8.210 0.281 0.000 0.444 623 K N 5.118 125.556 120.400 0.062 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.776 174.874 176.600 0.082 0.000 0.934 623 K CA -2.344 53.973 56.287 0.049 0.000 0.801 623 K CB 2.774 35.244 32.500 -0.049 0.000 1.137 623 K HN 0.570 8.840 8.250 0.033 0.000 0.424 624 F N 4.893 124.843 119.950 -0.000 0.000 2.375 624 F HA 0.342 nan 4.527 nan 0.000 0.333 624 F C -1.648 174.199 175.800 0.078 0.000 1.104 624 F CA -0.968 57.056 58.000 0.039 0.000 1.149 624 F CB 2.662 41.682 39.000 0.034 0.000 1.190 624 F HN 0.547 8.827 8.300 0.253 0.171 0.533 625 H N 7.126 125.552 119.070 -1.074 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.221 173.674 175.328 -0.722 0.000 1.066 625 H CA -1.697 53.988 56.048 -0.606 0.000 1.209 625 H CB 3.245 32.743 29.762 -0.441 0.000 1.445 625 H HN 0.333 7.504 8.280 -1.849 0.000 0.488 626 G N 0.000 108.526 108.800 -0.457 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 45.010 45.100 -0.151 0.000 0.502 626 G HN 0.000 8.008 8.290 -0.470 0.000 0.925