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 3o0y_1_A DATA FIRST_RESID 24 DATA SEQUENCE VISSKQQLAS LYLQAKQSLF KQRALSATMY GLSQKDIGQV ISSDMEFYSP DATA SEQUENCE ENEKQLRAEL LSISNTIAGI KLDXADITTK NNQQVMAGLT RYFAGEPNFN DATA SEQUENCE IGYIDTWMGL SPFIVNQING PLIDIPRVMQ NDQPITTEKE ALDYIVRLGQ DATA SEQUENCE FDKLAATIIE KQTADAAQNW LPSKVTLQGA IKYLKGFTSG SAEQHPFVNV DATA SEQUENCE FREKIEKVDS LTTEQKQSLI TQVIAKVSQV VYPAYQSVEK ASEQLLSEAR DATA SEQUENCE SESGIWAQPK GSVYYQDAIK QLGDSELSPT QIHQIGLDEV ARISGVMNEI DATA SEQUENCE LLAQGYTKGT VGERMVALNE EPRFLYEDSI AGREELLSDI NGYITEVTAK DATA SEQUENCE MAPVFRTTPS YQVEVKSFPV EVQDGAPGGQ YTSPAVDGSK PGIYWINLRD DATA SEQUENCE MKANPKFGLK TLTYHEANPG HHWQIALNLD QAELPFLRRI APYNAYTEGW DATA SEQUENCE ALYSEQVAYE LGMYENDPFG DLGRLQAELF RAVRLVVDTG LHDKRWTREQ DATA SEQUENCE AISYMSEQTG TAESDVVAEI ERYMAWPGQA LGYKLGMLKI LSLREQAKAR DATA SEQUENCE LGDKFDLAEF HDVVLLNGAV PMAVLSRNVN HWLDNK 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 176.086 176.094 -0.013 0.000 1.182 24 V CA 0.000 62.294 62.300 -0.011 0.000 1.235 24 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 25 I N 6.700 127.260 120.570 -0.016 0.000 2.505 25 I HA 0.273 4.433 4.170 -0.017 0.000 0.287 25 I C 1.199 177.302 176.117 -0.023 0.000 1.104 25 I CA 0.703 61.990 61.300 -0.022 0.000 1.387 25 I CB 1.210 39.195 38.000 -0.025 0.000 1.404 25 I HN 0.836 nan 8.210 nan 0.000 0.528 26 S N 3.793 119.479 115.700 -0.024 0.000 2.596 26 S HA 0.129 4.589 4.470 -0.017 0.000 0.260 26 S C 1.179 175.760 174.600 -0.033 0.000 1.336 26 S CA -0.590 57.596 58.200 -0.023 0.000 0.993 26 S CB 1.324 64.512 63.200 -0.020 0.000 0.923 26 S HN 0.608 nan 8.310 nan 0.000 0.567 27 S N 0.914 116.596 115.700 -0.029 0.000 2.368 27 S HA -0.073 4.387 4.470 -0.017 0.000 0.224 27 S C 1.854 176.421 174.600 -0.056 0.000 1.029 27 S CA 1.168 59.346 58.200 -0.038 0.000 0.988 27 S CB -0.445 62.742 63.200 -0.023 0.000 0.838 27 S HN 0.714 nan 8.310 nan 0.000 0.462 28 K N 0.916 121.291 120.400 -0.042 0.000 2.063 28 K HA -0.137 4.173 4.320 -0.017 0.000 0.208 28 K C 2.393 178.945 176.600 -0.080 0.000 1.048 28 K CA 1.360 57.618 56.287 -0.049 0.000 0.928 28 K CB -0.153 32.335 32.500 -0.020 0.000 0.713 28 K HN 0.425 nan 8.250 nan 0.000 0.442 29 Q N 0.160 119.921 119.800 -0.065 0.000 2.123 29 Q HA -0.183 4.147 4.340 -0.017 0.000 0.199 29 Q C 2.193 178.134 176.000 -0.099 0.000 0.966 29 Q CA 1.151 56.912 55.803 -0.070 0.000 0.845 29 Q CB 0.031 28.742 28.738 -0.044 0.000 0.907 29 Q HN 0.347 nan 8.270 nan 0.000 0.439 30 Q N 0.825 120.566 119.800 -0.099 0.000 2.079 30 Q HA -0.159 4.171 4.340 -0.017 0.000 0.200 30 Q C 2.035 177.918 176.000 -0.195 0.000 0.974 30 Q CA 0.964 56.701 55.803 -0.109 0.000 0.840 30 Q CB 0.015 28.705 28.738 -0.081 0.000 0.898 30 Q HN 0.373 nan 8.270 nan 0.000 0.430 31 L N 0.181 121.243 121.223 -0.268 0.000 2.046 31 L HA -0.186 4.144 4.340 -0.017 0.000 0.208 31 L C 2.581 178.890 176.870 -0.936 0.000 1.077 31 L CA 1.145 55.644 54.840 -0.568 0.000 0.747 31 L CB -0.577 41.210 42.059 -0.454 0.000 0.896 31 L HN 0.316 nan 8.230 nan 0.000 0.432 32 A N -0.887 121.625 122.820 -0.514 0.000 1.933 32 A HA -0.192 4.118 4.320 -0.017 0.000 0.218 32 A C 2.486 179.956 177.584 -0.190 0.000 1.175 32 A CA 2.054 53.906 52.037 -0.309 0.000 0.628 32 A CB -0.581 18.362 19.000 -0.094 0.000 0.814 32 A HN 0.387 nan 8.150 nan 0.000 0.444 33 S N -0.142 115.462 115.700 -0.161 0.000 2.368 33 S HA -0.090 4.370 4.470 -0.017 0.000 0.225 33 S C 1.793 176.355 174.600 -0.063 0.000 1.030 33 S CA 1.436 59.587 58.200 -0.081 0.000 0.999 33 S CB -0.433 62.729 63.200 -0.063 0.000 0.844 33 S HN 0.506 nan 8.310 nan 0.000 0.459 34 L N 0.034 121.179 121.223 -0.129 0.000 2.083 34 L HA -0.122 4.208 4.340 -0.017 0.000 0.209 34 L C 2.255 179.185 176.870 0.100 0.000 1.083 34 L CA 1.120 55.935 54.840 -0.041 0.000 0.752 34 L CB -0.589 41.432 42.059 -0.064 0.000 0.899 34 L HN 0.303 nan 8.230 nan 0.000 0.433 35 Y N -0.910 119.411 120.300 0.035 0.000 2.242 35 Y HA -0.192 4.348 4.550 -0.016 0.000 0.291 35 Y C 2.265 178.204 175.900 0.064 0.000 1.137 35 Y CA 0.382 58.513 58.100 0.052 0.000 1.181 35 Y CB -0.837 37.653 38.460 0.051 0.000 0.989 35 Y HN 0.066 nan 8.280 nan 0.000 0.527 36 L N 0.421 121.757 121.223 0.187 0.000 2.046 36 L HA -0.207 4.123 4.340 -0.017 0.000 0.208 36 L C 2.519 179.443 176.870 0.091 0.000 1.077 36 L CA 1.845 56.755 54.840 0.117 0.000 0.747 36 L CB -0.885 41.212 42.059 0.064 0.000 0.896 36 L HN 0.271 nan 8.230 nan 0.000 0.432 37 Q N -0.925 118.918 119.800 0.072 0.000 2.084 37 Q HA -0.232 4.098 4.340 -0.017 0.000 0.202 37 Q C 2.125 178.164 176.000 0.065 0.000 0.978 37 Q CA 1.785 57.621 55.803 0.054 0.000 0.844 37 Q CB -0.186 28.573 28.738 0.036 0.000 0.898 37 Q HN 0.636 nan 8.270 nan 0.000 0.426 38 A N 1.629 124.505 122.820 0.093 0.000 1.865 38 A HA -0.271 4.039 4.320 -0.017 0.000 0.217 38 A C 2.063 179.689 177.584 0.070 0.000 1.191 38 A CA 1.931 54.019 52.037 0.085 0.000 0.623 38 A CB -0.751 18.325 19.000 0.127 0.000 0.826 38 A HN 0.461 nan 8.150 nan 0.000 0.444 39 K N -0.547 119.935 120.400 0.136 0.000 2.020 39 K HA -0.256 4.054 4.320 -0.017 0.000 0.212 39 K C 2.233 178.959 176.600 0.210 0.000 1.050 39 K CA 2.003 58.418 56.287 0.214 0.000 0.929 39 K CB -0.277 32.367 32.500 0.239 0.000 0.714 39 K HN 0.656 nan 8.250 nan 0.000 0.443 40 Q N -0.235 119.637 119.800 0.120 0.000 2.123 40 Q HA -0.062 4.268 4.340 -0.017 0.000 0.199 40 Q C 2.258 178.302 176.000 0.073 0.000 0.966 40 Q CA 1.455 57.313 55.803 0.091 0.000 0.845 40 Q CB 0.149 28.913 28.738 0.042 0.000 0.907 40 Q HN 0.283 nan 8.270 nan 0.000 0.439 41 S N 1.012 116.735 115.700 0.038 0.000 2.371 41 S HA -0.099 4.361 4.470 -0.017 0.000 0.224 41 S C 1.811 176.387 174.600 -0.039 0.000 1.029 41 S CA 0.645 58.848 58.200 0.005 0.000 0.978 41 S CB -0.163 63.036 63.200 -0.001 0.000 0.833 41 S HN 0.211 nan 8.310 nan 0.000 0.466 42 L N 1.018 122.179 121.223 -0.104 0.000 1.994 42 L HA 0.056 4.386 4.340 -0.017 0.000 0.208 42 L C 1.798 178.515 176.870 -0.254 0.000 1.071 42 L CA 1.850 56.525 54.840 -0.275 0.000 0.745 42 L CB -0.866 40.873 42.059 -0.533 0.000 0.892 42 L HN 0.271 nan 8.230 nan 0.000 0.431 43 F N -0.167 119.741 119.950 -0.070 0.000 2.234 43 F HA -0.138 4.379 4.527 -0.017 0.000 0.299 43 F C 2.315 178.092 175.800 -0.039 0.000 1.087 43 F CA 1.059 59.034 58.000 -0.043 0.000 1.340 43 F CB -0.283 38.699 39.000 -0.030 0.000 1.031 43 F HN 0.041 nan 8.300 nan 0.000 0.500 44 K N 0.060 120.537 120.400 0.129 0.000 2.103 44 K HA -0.213 4.097 4.320 -0.017 0.000 0.207 44 K C 1.678 178.287 176.600 0.016 0.000 1.048 44 K CA 1.457 57.780 56.287 0.060 0.000 0.930 44 K CB -0.253 32.269 32.500 0.036 0.000 0.716 44 K HN 0.392 nan 8.250 nan 0.000 0.444 45 Q N -0.282 119.505 119.800 -0.022 0.000 2.360 45 Q HA 0.076 4.406 4.340 -0.017 0.000 0.202 45 Q C 0.078 176.010 176.000 -0.114 0.000 0.915 45 Q CA 0.247 56.004 55.803 -0.077 0.000 0.943 45 Q CB 0.704 29.389 28.738 -0.089 0.000 1.064 45 Q HN 0.006 nan 8.270 nan 0.000 0.511 46 R N -0.289 120.182 120.500 -0.049 0.000 2.782 46 R HA 0.335 4.665 4.340 -0.017 0.000 0.293 46 R C 0.097 176.463 176.300 0.110 0.000 1.333 46 R CA -0.068 56.028 56.100 -0.006 0.000 1.479 46 R CB 0.583 30.848 30.300 -0.059 0.000 1.306 46 R HN 0.078 nan 8.270 nan 0.000 0.654 47 A N 0.520 123.372 122.820 0.052 0.000 2.015 47 A HA -0.096 4.214 4.320 -0.017 0.000 0.219 47 A C 1.829 179.477 177.584 0.107 0.000 1.163 47 A CA 1.057 53.144 52.037 0.084 0.000 0.646 47 A CB -0.045 18.967 19.000 0.020 0.000 0.806 47 A HN 0.342 nan 8.150 nan 0.000 0.448 48 L N -0.684 120.596 121.223 0.094 0.000 2.109 48 L HA -0.099 4.232 4.340 -0.017 0.000 0.207 48 L C 2.776 179.739 176.870 0.154 0.000 1.086 48 L CA 1.493 56.403 54.840 0.116 0.000 0.760 48 L CB -0.316 41.806 42.059 0.105 0.000 0.910 48 L HN 0.261 nan 8.230 nan 0.000 0.437 49 S N -0.311 115.516 115.700 0.212 0.000 2.368 49 S HA -0.213 4.247 4.470 -0.017 0.000 0.225 49 S C 2.231 177.087 174.600 0.426 0.000 1.030 49 S CA 1.173 59.566 58.200 0.323 0.000 0.999 49 S CB -0.409 63.019 63.200 0.380 0.000 0.844 49 S HN 0.506 nan 8.310 nan 0.000 0.459 50 A N 1.429 124.486 122.820 0.395 0.000 1.865 50 A HA -0.163 4.147 4.320 -0.017 0.000 0.217 50 A C 2.351 179.978 177.584 0.071 0.000 1.191 50 A CA 2.260 54.349 52.037 0.087 0.000 0.623 50 A CB -1.558 17.470 19.000 0.047 0.000 0.826 50 A HN 0.480 nan 8.150 nan 0.000 0.444 51 T N -0.268 114.343 114.554 0.095 0.000 2.699 51 T HA -0.243 4.097 4.350 -0.017 0.000 0.268 51 T C 1.902 176.643 174.700 0.069 0.000 1.036 51 T CA 1.784 63.933 62.100 0.082 0.000 1.147 51 T CB -0.339 68.590 68.868 0.101 0.000 0.862 51 T HN 0.490 nan 8.240 nan 0.000 0.446 52 M N -0.227 119.400 119.600 0.045 0.000 2.106 52 M HA -0.163 4.307 4.480 -0.017 0.000 0.259 52 M C 1.375 177.590 176.300 -0.140 0.000 1.068 52 M CA 1.813 57.071 55.300 -0.071 0.000 1.100 52 M CB -0.145 32.361 32.600 -0.156 0.000 1.351 52 M HN 0.269 nan 8.290 nan 0.000 0.404 53 Y N -0.220 120.127 120.300 0.078 0.000 2.490 53 Y HA 0.259 4.799 4.550 -0.017 0.000 0.281 53 Y C 1.500 177.422 175.900 0.036 0.000 1.174 53 Y CA 0.543 58.683 58.100 0.067 0.000 1.295 53 Y CB -0.155 38.353 38.460 0.080 0.000 1.062 53 Y HN 0.492 nan 8.280 nan 0.000 0.522 54 G N 0.708 109.588 108.800 0.134 0.000 2.160 54 G HA2 -0.273 3.677 3.960 -0.017 0.000 0.244 54 G HA3 -0.273 3.677 3.960 -0.017 0.000 0.244 54 G C -0.026 174.890 174.900 0.027 0.000 1.022 54 G CA 0.031 45.180 45.100 0.082 0.000 0.741 54 G HN 0.250 nan 8.290 nan 0.000 0.508 55 L N 0.547 121.749 121.223 -0.035 0.000 2.418 55 L HA 0.676 5.006 4.340 -0.017 0.000 0.265 55 L C 1.071 177.881 176.870 -0.102 0.000 1.143 55 L CA 0.163 54.913 54.840 -0.149 0.000 0.809 55 L CB 1.384 43.229 42.059 -0.357 0.000 1.124 55 L HN 0.513 nan 8.230 nan 0.000 0.456 56 S N -0.218 115.416 115.700 -0.110 0.000 2.840 56 S HA 0.175 4.635 4.470 -0.017 0.000 0.307 56 S C 0.398 174.954 174.600 -0.073 0.000 1.180 56 S CA -0.721 57.441 58.200 -0.064 0.000 0.846 56 S CB 1.532 64.712 63.200 -0.034 0.000 1.233 56 S HN 0.651 nan 8.310 nan 0.000 0.548 57 Q N 1.346 121.120 119.800 -0.043 0.000 2.133 57 Q HA -0.257 4.073 4.340 -0.017 0.000 0.208 57 Q C 2.005 177.974 176.000 -0.051 0.000 0.991 57 Q CA 2.306 58.086 55.803 -0.038 0.000 0.867 57 Q CB -0.464 28.262 28.738 -0.019 0.000 0.911 57 Q HN 0.757 nan 8.270 nan 0.000 0.417 58 K N -0.484 119.883 120.400 -0.055 0.000 2.160 58 K HA -0.209 4.101 4.320 -0.017 0.000 0.206 58 K C 0.995 177.538 176.600 -0.095 0.000 1.047 58 K CA 1.880 58.131 56.287 -0.061 0.000 0.930 58 K CB -0.101 32.368 32.500 -0.052 0.000 0.720 58 K HN 0.300 nan 8.250 nan 0.000 0.450 59 D N 0.556 120.870 120.400 -0.142 0.000 2.216 59 D HA -0.002 4.628 4.640 -0.017 0.000 0.208 59 D C 1.938 178.119 176.300 -0.199 0.000 0.960 59 D CA 0.732 54.589 54.000 -0.238 0.000 0.861 59 D CB 0.233 40.809 40.800 -0.374 0.000 0.985 59 D HN 0.237 nan 8.370 nan 0.000 0.493 60 I N -0.361 120.127 120.570 -0.136 0.000 3.708 60 I HA 0.142 4.302 4.170 -0.017 0.000 0.302 60 I C 1.784 177.881 176.117 -0.034 0.000 1.255 60 I CA 0.617 61.871 61.300 -0.076 0.000 1.362 60 I CB -0.305 37.663 38.000 -0.053 0.000 1.100 60 I HN 0.086 nan 8.210 nan 0.000 0.434 61 G N 2.011 110.789 108.800 -0.038 0.000 2.176 61 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.253 61 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.253 61 G C 0.178 175.071 174.900 -0.011 0.000 0.979 61 G CA 0.515 45.603 45.100 -0.020 0.000 0.641 61 G HN 0.572 nan 8.290 nan 0.000 0.530 62 Q N -1.511 118.282 119.800 -0.011 0.000 2.633 62 Q HA 0.631 4.961 4.340 -0.017 0.000 0.289 62 Q C -1.073 174.927 176.000 -0.001 0.000 0.940 62 Q CA -1.040 54.762 55.803 -0.002 0.000 0.785 62 Q CB 1.479 30.221 28.738 0.007 0.000 1.467 62 Q HN 0.451 nan 8.270 nan 0.000 0.401 63 V N 2.629 122.547 119.914 0.006 0.000 2.508 63 V HA 0.124 4.234 4.120 -0.017 0.000 0.281 63 V C 0.574 176.679 176.094 0.018 0.000 1.041 63 V CA 0.025 62.331 62.300 0.010 0.000 1.016 63 V CB 0.479 32.311 31.823 0.016 0.000 0.984 63 V HN 0.738 nan 8.190 nan 0.000 0.478 64 I N 1.919 122.500 120.570 0.018 0.000 4.240 64 I HA 0.165 4.325 4.170 -0.017 0.000 0.331 64 I C 1.742 177.881 176.117 0.036 0.000 1.381 64 I CA 0.474 61.790 61.300 0.027 0.000 1.136 64 I CB -0.113 37.904 38.000 0.029 0.000 1.137 64 I HN 0.468 nan 8.210 nan 0.000 0.411 65 S N 0.959 116.683 115.700 0.039 0.000 2.447 65 S HA -0.082 4.378 4.470 -0.017 0.000 0.233 65 S C 1.569 176.210 174.600 0.068 0.000 1.006 65 S CA 0.979 59.211 58.200 0.054 0.000 0.957 65 S CB -0.864 62.367 63.200 0.053 0.000 0.773 65 S HN 0.668 nan 8.310 nan 0.000 0.507 66 S N -0.086 115.649 115.700 0.059 0.000 2.754 66 S HA 0.349 4.809 4.470 -0.017 0.000 0.247 66 S C -0.738 173.893 174.600 0.051 0.000 1.031 66 S CA -0.786 57.452 58.200 0.063 0.000 1.014 66 S CB -0.002 63.236 63.200 0.064 0.000 0.918 66 S HN 0.178 nan 8.310 nan 0.000 0.519 67 D N 2.117 122.539 120.400 0.036 0.000 2.329 67 D HA 0.559 5.189 4.640 -0.017 0.000 0.246 67 D C -0.257 176.010 176.300 -0.055 0.000 1.111 67 D CA -0.158 53.848 54.000 0.011 0.000 0.941 67 D CB 0.892 41.697 40.800 0.008 0.000 1.169 67 D HN 0.284 nan 8.370 nan 0.000 0.441 68 M N 0.496 119.992 119.600 -0.174 0.000 2.705 68 M HA 0.327 4.797 4.480 -0.017 0.000 0.311 68 M C -0.892 174.960 176.300 -0.746 0.000 1.214 68 M CA -0.470 54.585 55.300 -0.409 0.000 0.920 68 M CB 1.627 33.953 32.600 -0.457 0.000 1.687 68 M HN 0.182 nan 8.290 nan 0.000 0.481 69 E N 1.425 121.208 120.200 -0.695 0.000 2.231 69 E HA 0.538 4.878 4.350 -0.017 0.000 0.277 69 E C -1.584 174.431 176.600 -0.975 0.000 0.999 69 E CA -0.225 55.767 56.400 -0.681 0.000 0.827 69 E CB 1.116 30.642 29.700 -0.291 0.000 1.101 69 E HN 0.424 nan 8.360 nan 0.000 0.393 70 F N 0.753 120.479 119.950 -0.373 0.000 2.563 70 F HA 0.333 4.850 4.527 -0.016 0.000 0.316 70 F C -0.267 175.199 175.800 -0.556 0.000 1.076 70 F CA -0.776 57.050 58.000 -0.291 0.000 0.921 70 F CB 0.950 39.864 39.000 -0.143 0.000 1.209 70 F HN 0.440 nan 8.300 nan 0.000 0.462 71 Y N -0.235 120.156 120.300 0.153 0.000 2.721 71 Y HA 0.197 4.737 4.550 -0.017 0.000 0.251 71 Y C 0.814 176.751 175.900 0.061 0.000 1.136 71 Y CA -0.678 57.464 58.100 0.070 0.000 1.142 71 Y CB 0.326 38.791 38.460 0.008 0.000 1.212 71 Y HN 0.515 nan 8.280 nan 0.000 0.565 72 S N -0.359 115.415 115.700 0.125 0.000 2.589 72 S HA 0.106 4.566 4.470 -0.017 0.000 0.265 72 S C -1.654 172.987 174.600 0.068 0.000 1.342 72 S CA -0.895 57.352 58.200 0.079 0.000 1.005 72 S CB 1.271 64.489 63.200 0.030 0.000 0.909 72 S HN 0.006 nan 8.310 nan 0.000 0.555 73 P HA -0.131 nan 4.420 nan 0.000 0.216 73 P C 1.414 178.727 177.300 0.022 0.000 1.153 73 P CA 1.550 64.672 63.100 0.036 0.000 0.858 73 P CB 0.044 31.759 31.700 0.024 0.000 0.789 74 E N -0.858 119.349 120.200 0.012 0.000 2.107 74 E HA -0.133 4.207 4.350 -0.017 0.000 0.191 74 E C 1.812 178.413 176.600 0.002 0.000 0.982 74 E CA 1.084 57.485 56.400 0.002 0.000 0.809 74 E CB -0.807 28.889 29.700 -0.006 0.000 0.756 74 E HN 0.069 nan 8.360 nan 0.000 0.459 75 N N 0.838 119.541 118.700 0.005 0.000 2.069 75 N HA -0.154 4.576 4.740 -0.017 0.000 0.191 75 N C 1.569 177.075 175.510 -0.007 0.000 1.031 75 N CA 1.260 54.307 53.050 -0.005 0.000 0.852 75 N CB -0.234 38.247 38.487 -0.010 0.000 1.018 75 N HN 0.234 nan 8.380 nan 0.000 0.423 76 E N 1.046 121.257 120.200 0.018 0.000 2.072 76 E HA -0.131 4.209 4.350 -0.017 0.000 0.191 76 E C 1.893 178.500 176.600 0.012 0.000 0.985 76 E CA 0.593 57.012 56.400 0.031 0.000 0.801 76 E CB -0.131 29.614 29.700 0.075 0.000 0.750 76 E HN 0.424 nan 8.360 nan 0.000 0.452 77 K N 0.983 121.388 120.400 0.008 0.000 2.032 77 K HA -0.205 4.105 4.320 -0.017 0.000 0.209 77 K C 2.111 178.709 176.600 -0.004 0.000 1.048 77 K CA 1.563 57.849 56.287 -0.001 0.000 0.927 77 K CB 0.039 32.537 32.500 -0.004 0.000 0.712 77 K HN 0.068 nan 8.250 nan 0.000 0.441 78 Q N 0.233 120.030 119.800 -0.005 0.000 2.123 78 Q HA -0.134 4.196 4.340 -0.017 0.000 0.199 78 Q C 2.150 178.145 176.000 -0.009 0.000 0.966 78 Q CA 1.053 56.851 55.803 -0.007 0.000 0.845 78 Q CB -0.089 28.644 28.738 -0.008 0.000 0.907 78 Q HN 0.263 nan 8.270 nan 0.000 0.439 79 L N 1.102 122.317 121.223 -0.013 0.000 1.994 79 L HA -0.186 4.144 4.340 -0.017 0.000 0.208 79 L C 2.101 178.965 176.870 -0.010 0.000 1.071 79 L CA 1.813 56.641 54.840 -0.020 0.000 0.745 79 L CB -0.276 41.763 42.059 -0.033 0.000 0.892 79 L HN -0.005 nan 8.230 nan 0.000 0.431 80 R N -0.334 120.163 120.500 -0.006 0.000 2.075 80 R HA -0.065 4.265 4.340 -0.017 0.000 0.232 80 R C 2.283 178.583 176.300 0.000 0.000 1.126 80 R CA 1.278 57.377 56.100 -0.002 0.000 0.963 80 R CB -0.800 29.495 30.300 -0.009 0.000 0.858 80 R HN 0.536 nan 8.270 nan 0.000 0.435 81 A N 1.330 124.149 122.820 -0.002 0.000 1.908 81 A HA -0.248 4.062 4.320 -0.017 0.000 0.218 81 A C 2.082 179.668 177.584 0.004 0.000 1.181 81 A CA 1.657 53.694 52.037 -0.001 0.000 0.627 81 A CB -0.455 18.543 19.000 -0.003 0.000 0.818 81 A HN 0.446 nan 8.150 nan 0.000 0.445 82 E N -0.197 120.005 120.200 0.003 0.000 2.051 82 E HA -0.165 4.175 4.350 -0.017 0.000 0.192 82 E C 1.920 178.530 176.600 0.017 0.000 0.991 82 E CA 1.214 57.619 56.400 0.008 0.000 0.799 82 E CB -0.220 29.482 29.700 0.003 0.000 0.748 82 E HN 0.621 nan 8.360 nan 0.000 0.449 83 L N 0.413 121.649 121.223 0.021 0.000 2.093 83 L HA -0.162 4.168 4.340 -0.017 0.000 0.208 83 L C 2.598 179.492 176.870 0.041 0.000 1.085 83 L CA 0.384 55.249 54.840 0.041 0.000 0.755 83 L CB -0.338 41.756 42.059 0.059 0.000 0.904 83 L HN 0.263 nan 8.230 nan 0.000 0.435 84 L N -0.776 120.462 121.223 0.025 0.000 2.046 84 L HA -0.165 4.165 4.340 -0.017 0.000 0.208 84 L C 2.595 179.477 176.870 0.020 0.000 1.077 84 L CA 1.671 56.522 54.840 0.018 0.000 0.747 84 L CB -0.478 41.585 42.059 0.007 0.000 0.896 84 L HN 0.086 nan 8.230 nan 0.000 0.432 85 S N -0.384 115.327 115.700 0.017 0.000 2.368 85 S HA -0.153 4.307 4.470 -0.017 0.000 0.225 85 S C 1.964 176.579 174.600 0.024 0.000 1.030 85 S CA 1.765 59.975 58.200 0.016 0.000 0.999 85 S CB -0.414 62.793 63.200 0.012 0.000 0.844 85 S HN 0.460 nan 8.310 nan 0.000 0.459 86 I N 0.852 121.443 120.570 0.034 0.000 2.179 86 I HA -0.186 3.974 4.170 -0.017 0.000 0.242 86 I C 2.679 178.832 176.117 0.060 0.000 1.088 86 I CA 1.131 62.460 61.300 0.049 0.000 1.357 86 I CB -0.429 37.609 38.000 0.064 0.000 1.051 86 I HN 0.287 nan 8.210 nan 0.000 0.409 87 S N 1.013 116.747 115.700 0.058 0.000 2.359 87 S HA -0.213 4.247 4.470 -0.017 0.000 0.224 87 S C 1.912 176.538 174.600 0.043 0.000 1.035 87 S CA 1.886 60.119 58.200 0.056 0.000 1.018 87 S CB -0.293 62.931 63.200 0.041 0.000 0.876 87 S HN 0.404 nan 8.310 nan 0.000 0.448 88 N N 0.515 119.233 118.700 0.030 0.000 2.188 88 N HA -0.025 4.705 4.740 -0.017 0.000 0.184 88 N C 1.765 177.288 175.510 0.022 0.000 1.018 88 N CA 1.622 54.685 53.050 0.021 0.000 0.858 88 N CB -0.988 37.507 38.487 0.014 0.000 0.989 88 N HN 0.447 nan 8.380 nan 0.000 0.426 89 T N 1.619 116.187 114.554 0.024 0.000 2.737 89 T HA 0.071 4.411 4.350 -0.017 0.000 0.265 89 T C 2.118 176.832 174.700 0.023 0.000 1.038 89 T CA 0.488 62.598 62.100 0.017 0.000 1.144 89 T CB -0.088 68.787 68.868 0.012 0.000 0.866 89 T HN 0.150 nan 8.240 nan 0.000 0.434 90 I N 1.514 122.111 120.570 0.046 0.000 2.163 90 I HA -0.229 3.931 4.170 -0.017 0.000 0.243 90 I C 2.887 179.040 176.117 0.059 0.000 1.085 90 I CA 1.292 62.636 61.300 0.074 0.000 1.347 90 I CB -0.451 37.639 38.000 0.150 0.000 1.044 90 I HN 0.197 nan 8.210 nan 0.000 0.408 91 A N 0.533 123.381 122.820 0.046 0.000 2.019 91 A HA -0.086 4.224 4.320 -0.017 0.000 0.219 91 A C 2.309 179.906 177.584 0.022 0.000 1.164 91 A CA 1.745 53.801 52.037 0.033 0.000 0.644 91 A CB -1.096 17.918 19.000 0.023 0.000 0.805 91 A HN 0.498 nan 8.150 nan 0.000 0.449 92 G N -0.947 107.864 108.800 0.018 0.000 2.777 92 G HA2 0.271 4.221 3.960 -0.017 0.000 0.211 92 G HA3 0.271 4.221 3.960 -0.017 0.000 0.211 92 G C 0.564 175.468 174.900 0.007 0.000 1.149 92 G CA -0.161 44.945 45.100 0.010 0.000 0.785 92 G HN 0.432 nan 8.290 nan 0.000 0.536 93 I N 0.933 121.508 120.570 0.009 0.000 2.529 93 I HA 0.125 4.285 4.170 -0.017 0.000 0.284 93 I C 0.486 176.606 176.117 0.005 0.000 1.082 93 I CA -0.192 61.109 61.300 0.002 0.000 1.406 93 I CB 1.305 39.302 38.000 -0.006 0.000 1.405 93 I HN -0.115 nan 8.210 nan 0.000 0.548 94 K N 7.327 127.727 120.400 0.000 0.000 2.285 94 K HA 0.384 4.694 4.320 -0.017 0.000 0.286 94 K C -0.893 175.707 176.600 0.000 0.000 1.072 94 K CA -0.516 55.772 56.287 0.001 0.000 0.913 94 K CB 0.587 33.086 32.500 -0.001 0.000 1.067 94 K HN 0.535 nan 8.250 nan 0.000 0.479 95 L N 3.793 125.018 121.223 0.004 0.000 2.349 95 L HA 0.144 4.474 4.340 -0.017 0.000 0.275 95 L C 0.395 177.266 176.870 0.002 0.000 1.115 95 L CA -0.225 54.617 54.840 0.003 0.000 0.820 95 L CB 1.113 43.178 42.059 0.009 0.000 1.135 95 L HN 0.755 nan 8.230 nan 0.000 0.445 99 D N 0.776 121.172 120.400 -0.006 0.000 2.372 99 D HA 0.124 4.754 4.640 -0.017 0.000 0.243 99 D C 1.374 177.645 176.300 -0.047 0.000 1.297 99 D CA -0.057 53.930 54.000 -0.021 0.000 0.958 99 D CB 0.785 41.573 40.800 -0.020 0.000 1.114 99 D HN 0.596 nan 8.370 nan 0.000 0.496 100 I N -0.483 120.028 120.570 -0.098 0.000 2.315 100 I HA -0.269 3.891 4.170 -0.017 0.000 0.248 100 I C 1.885 177.937 176.117 -0.108 0.000 1.117 100 I CA 1.239 62.456 61.300 -0.140 0.000 1.404 100 I CB -0.063 37.748 38.000 -0.314 0.000 1.071 100 I HN 0.342 nan 8.210 nan 0.000 0.419 101 T N 0.211 114.708 114.554 -0.096 0.000 2.746 101 T HA -0.151 4.189 4.350 -0.017 0.000 0.267 101 T C 1.723 176.399 174.700 -0.040 0.000 1.039 101 T CA 2.058 64.114 62.100 -0.073 0.000 1.142 101 T CB -0.383 68.450 68.868 -0.059 0.000 0.866 101 T HN 0.415 nan 8.240 nan 0.000 0.444 102 T N 1.943 116.486 114.554 -0.018 0.000 2.821 102 T HA -0.016 4.324 4.350 -0.017 0.000 0.267 102 T C 2.000 176.713 174.700 0.022 0.000 1.046 102 T CA 0.885 62.996 62.100 0.018 0.000 1.139 102 T CB -0.098 68.783 68.868 0.021 0.000 0.871 102 T HN 0.429 nan 8.240 nan 0.000 0.454 103 K N 1.109 121.506 120.400 -0.005 0.000 2.057 103 K HA -0.024 4.286 4.320 -0.017 0.000 0.206 103 K C 2.200 178.788 176.600 -0.020 0.000 1.050 103 K CA 1.079 57.362 56.287 -0.007 0.000 0.935 103 K CB -0.133 32.355 32.500 -0.019 0.000 0.715 103 K HN 0.152 nan 8.250 nan 0.000 0.439 104 N N 1.137 119.808 118.700 -0.048 0.000 2.188 104 N HA -0.100 4.630 4.740 -0.017 0.000 0.184 104 N C 1.411 176.873 175.510 -0.080 0.000 1.018 104 N CA 0.868 53.874 53.050 -0.073 0.000 0.858 104 N CB -0.375 38.052 38.487 -0.099 0.000 0.989 104 N HN 0.164 nan 8.380 nan 0.000 0.426 105 N N 1.200 119.860 118.700 -0.066 0.000 2.104 105 N HA -0.191 4.539 4.740 -0.017 0.000 0.190 105 N C 1.673 177.123 175.510 -0.100 0.000 1.024 105 N CA 0.790 53.771 53.050 -0.115 0.000 0.853 105 N CB -0.376 38.087 38.487 -0.040 0.000 1.008 105 N HN 0.500 nan 8.380 nan 0.000 0.424 106 Q N 0.761 120.594 119.800 0.056 0.000 2.050 106 Q HA -0.194 4.136 4.340 -0.017 0.000 0.202 106 Q C 2.112 178.132 176.000 0.033 0.000 0.980 106 Q CA 1.557 57.432 55.803 0.119 0.000 0.840 106 Q CB -0.054 28.750 28.738 0.111 0.000 0.898 106 Q HN 0.435 nan 8.270 nan 0.000 0.424 107 Q N -0.502 119.294 119.800 -0.008 0.000 2.050 107 Q HA -0.142 4.188 4.340 -0.017 0.000 0.202 107 Q C 2.037 178.010 176.000 -0.044 0.000 0.980 107 Q CA 1.780 57.567 55.803 -0.026 0.000 0.840 107 Q CB 0.104 28.816 28.738 -0.042 0.000 0.898 107 Q HN 0.338 nan 8.270 nan 0.000 0.424 108 V N 0.680 120.547 119.914 -0.079 0.000 2.295 108 V HA -0.270 3.840 4.120 -0.017 0.000 0.246 108 V C 2.423 178.482 176.094 -0.058 0.000 1.049 108 V CA 1.551 63.809 62.300 -0.071 0.000 1.024 108 V CB -0.463 31.293 31.823 -0.111 0.000 0.648 108 V HN 0.484 nan 8.190 nan 0.000 0.447 109 M N -0.239 119.274 119.600 -0.144 0.000 2.229 109 M HA -0.052 4.418 4.480 -0.017 0.000 0.264 109 M C 2.410 178.706 176.300 -0.008 0.000 1.063 109 M CA 1.907 57.115 55.300 -0.155 0.000 1.114 109 M CB -1.368 30.944 32.600 -0.479 0.000 1.387 109 M HN 0.416 nan 8.290 nan 0.000 0.420 110 A N 0.430 123.265 122.820 0.025 0.000 1.902 110 A HA -0.039 4.271 4.320 -0.017 0.000 0.217 110 A C 2.426 180.023 177.584 0.022 0.000 1.181 110 A CA 2.027 54.090 52.037 0.044 0.000 0.623 110 A CB -1.393 17.631 19.000 0.041 0.000 0.818 110 A HN 0.503 nan 8.150 nan 0.000 0.443 111 G N -0.422 108.383 108.800 0.009 0.000 2.402 111 G HA2 -0.121 3.829 3.960 -0.017 0.000 0.216 111 G HA3 -0.121 3.829 3.960 -0.017 0.000 0.216 111 G C 1.569 176.449 174.900 -0.032 0.000 1.162 111 G CA 0.954 46.058 45.100 0.007 0.000 0.777 111 G HN 0.418 nan 8.290 nan 0.000 0.539 112 L N 1.131 122.323 121.223 -0.052 0.000 2.093 112 L HA -0.072 4.258 4.340 -0.017 0.000 0.208 112 L C 3.373 180.239 176.870 -0.007 0.000 1.085 112 L CA 1.720 56.468 54.840 -0.155 0.000 0.755 112 L CB -0.682 41.315 42.059 -0.103 0.000 0.904 112 L HN 0.430 nan 8.230 nan 0.000 0.435 113 T N -2.548 112.055 114.554 0.082 0.000 2.821 113 T HA -0.228 4.112 4.350 -0.017 0.000 0.267 113 T C 1.932 176.680 174.700 0.081 0.000 1.046 113 T CA 1.037 63.222 62.100 0.141 0.000 1.139 113 T CB -0.270 68.668 68.868 0.117 0.000 0.871 113 T HN 0.100 nan 8.240 nan 0.000 0.454 114 R N 0.355 120.871 120.500 0.027 0.000 2.092 114 R HA -0.028 4.302 4.340 -0.017 0.000 0.231 114 R C 2.109 178.381 176.300 -0.048 0.000 1.119 114 R CA 1.199 57.296 56.100 -0.005 0.000 0.970 114 R CB -1.416 28.878 30.300 -0.010 0.000 0.864 114 R HN 0.579 nan 8.270 nan 0.000 0.440 115 Y N -0.160 119.972 120.300 -0.279 0.000 2.181 115 Y HA -0.136 4.404 4.550 -0.017 0.000 0.288 115 Y C 1.255 176.867 175.900 -0.480 0.000 1.146 115 Y CA 1.830 59.652 58.100 -0.463 0.000 1.164 115 Y CB -0.319 37.702 38.460 -0.732 0.000 0.982 115 Y HN 0.067 nan 8.280 nan 0.000 0.515 116 F N -0.384 119.507 119.950 -0.099 0.000 2.558 116 F HA 0.126 4.643 4.527 -0.017 0.000 0.298 116 F C 2.412 178.111 175.800 -0.167 0.000 1.119 116 F CA 0.628 58.510 58.000 -0.198 0.000 1.451 116 F CB -1.012 37.922 39.000 -0.110 0.000 1.091 116 F HN 0.148 nan 8.300 nan 0.000 0.563 117 A N 0.139 122.974 122.820 0.026 0.000 2.014 117 A HA 0.388 4.698 4.320 -0.017 0.000 0.218 117 A C 1.647 179.189 177.584 -0.070 0.000 1.163 117 A CA 1.000 53.030 52.037 -0.011 0.000 0.652 117 A CB -1.138 17.860 19.000 -0.002 0.000 0.808 117 A HN 0.513 nan 8.150 nan 0.000 0.449 118 G N -0.900 107.813 108.800 -0.145 0.000 2.814 118 G HA2 -0.125 3.825 3.960 -0.017 0.000 0.677 118 G HA3 -0.125 3.825 3.960 -0.017 0.000 0.677 118 G C -0.429 174.402 174.900 -0.115 0.000 1.429 118 G CA -0.142 44.848 45.100 -0.184 0.000 0.868 118 G HN 0.428 nan 8.290 nan 0.000 0.553 119 E N 0.885 121.008 120.200 -0.128 0.000 2.493 119 E HA 0.126 4.466 4.350 -0.017 0.000 0.255 119 E C -1.145 175.499 176.600 0.074 0.000 0.999 119 E CA -0.911 55.470 56.400 -0.031 0.000 0.934 119 E CB 0.827 30.487 29.700 -0.067 0.000 0.940 119 E HN 0.158 nan 8.360 nan 0.000 0.473 120 P HA -0.007 nan 4.420 nan 0.000 0.233 120 P C 0.272 177.585 177.300 0.021 0.000 1.167 120 P CA 0.588 63.702 63.100 0.024 0.000 0.770 120 P CB 0.396 32.100 31.700 0.007 0.000 0.837 121 N N -1.271 117.461 118.700 0.054 0.000 2.280 121 N HA 0.093 4.823 4.740 -0.017 0.000 0.192 121 N C -0.319 175.022 175.510 -0.282 0.000 1.109 121 N CA 0.245 53.240 53.050 -0.091 0.000 0.855 121 N CB -0.005 38.405 38.487 -0.128 0.000 0.974 121 N HN 0.196 nan 8.380 nan 0.000 0.482 122 F N 1.390 121.281 119.950 -0.098 0.000 2.402 122 F HA 0.262 4.779 4.527 -0.016 0.000 0.355 122 F C 1.226 176.921 175.800 -0.175 0.000 1.123 122 F CA -1.067 56.834 58.000 -0.164 0.000 1.021 122 F CB 1.098 39.988 39.000 -0.183 0.000 1.160 122 F HN -0.059 nan 8.300 nan 0.000 0.451 123 N N 2.631 121.286 118.700 -0.075 0.000 2.280 123 N HA 0.010 4.740 4.740 -0.017 0.000 0.192 123 N C 0.093 175.538 175.510 -0.108 0.000 1.109 123 N CA -0.009 52.998 53.050 -0.072 0.000 0.855 123 N CB -0.245 38.204 38.487 -0.063 0.000 0.974 123 N HN 0.412 nan 8.380 nan 0.000 0.482 124 I N -2.011 118.421 120.570 -0.231 0.000 3.269 124 I HA 0.650 4.810 4.170 -0.017 0.000 0.287 124 I C 1.277 177.242 176.117 -0.252 0.000 1.152 124 I CA -0.254 60.823 61.300 -0.371 0.000 1.263 124 I CB -0.345 37.029 38.000 -1.044 0.000 1.439 124 I HN 0.261 nan 8.210 nan 0.000 0.637 125 G N 1.715 110.433 108.800 -0.138 0.000 2.552 125 G HA2 -0.133 3.817 3.960 -0.017 0.000 0.265 125 G HA3 -0.133 3.817 3.960 -0.017 0.000 0.265 125 G C -0.782 174.215 174.900 0.161 0.000 1.234 125 G CA 0.612 45.733 45.100 0.035 0.000 0.944 125 G HN 2.000 nan 8.290 nan 0.000 0.568 126 Y N -2.625 117.678 120.300 0.005 0.000 2.609 126 Y HA 0.722 5.262 4.550 -0.017 0.000 0.336 126 Y C -0.455 175.466 175.900 0.035 0.000 1.129 126 Y CA -1.939 56.198 58.100 0.062 0.000 1.040 126 Y CB 1.001 39.511 38.460 0.083 0.000 1.310 126 Y HN 0.659 nan 8.280 nan 0.000 0.460 127 I N 3.527 124.106 120.570 0.015 0.000 2.337 127 I HA 0.149 4.309 4.170 -0.017 0.000 0.291 127 I C -0.083 176.042 176.117 0.013 0.000 1.046 127 I CA -0.154 61.092 61.300 -0.090 0.000 1.324 127 I CB 0.511 38.514 38.000 0.004 0.000 1.409 127 I HN 0.737 nan 8.210 nan 0.000 0.494 128 D N 4.737 125.035 120.400 -0.170 0.000 2.198 128 D HA 0.097 4.727 4.640 -0.017 0.000 0.245 128 D C 1.121 177.512 176.300 0.152 0.000 1.079 128 D CA -0.163 53.872 54.000 0.059 0.000 0.854 128 D CB 1.958 42.717 40.800 -0.069 0.000 1.148 128 D HN 0.654 nan 8.370 nan 0.000 0.456 129 T N 0.788 115.462 114.554 0.200 0.000 3.051 129 T HA -0.117 4.223 4.350 -0.017 0.000 0.269 129 T C 1.443 176.415 174.700 0.453 0.000 1.127 129 T CA 0.294 62.505 62.100 0.185 0.000 1.107 129 T CB -0.167 68.725 68.868 0.039 0.000 0.898 129 T HN 0.628 nan 8.240 nan 0.000 0.517 130 W N 0.741 122.161 121.300 0.200 0.000 2.678 130 W HA 0.460 5.110 4.660 -0.016 0.000 0.282 130 W C 1.909 178.507 176.519 0.133 0.000 1.137 130 W CA -0.160 57.284 57.345 0.165 0.000 1.515 130 W CB 0.120 29.620 29.460 0.067 0.000 1.101 130 W HN 0.102 nan 8.180 nan 0.000 0.564 131 M N 1.028 120.318 119.600 -0.517 0.000 2.495 131 M HA 0.229 4.699 4.480 -0.017 0.000 0.237 131 M C 1.310 177.160 176.300 -0.750 0.000 1.131 131 M CA 1.080 55.799 55.300 -0.969 0.000 1.032 131 M CB -0.317 31.565 32.600 -1.196 0.000 1.513 131 M HN 0.286 nan 8.290 nan 0.000 0.488 132 G N 1.570 109.925 108.800 -0.741 0.000 2.550 132 G HA2 -0.339 3.611 3.960 -0.017 0.000 0.277 132 G HA3 -0.339 3.611 3.960 -0.017 0.000 0.277 132 G C -0.438 174.066 174.900 -0.660 0.000 1.190 132 G CA -0.104 44.358 45.100 -1.063 0.000 0.971 132 G HN 0.381 nan 8.290 nan 0.000 0.559 133 L N 1.399 122.248 121.223 -0.623 0.000 2.513 133 L HA 0.557 4.887 4.340 -0.017 0.000 0.272 133 L C 0.418 177.047 176.870 -0.401 0.000 1.187 133 L CA 0.847 55.426 54.840 -0.434 0.000 0.895 133 L CB 0.594 42.444 42.059 -0.349 0.000 1.147 133 L HN 0.728 nan 8.230 nan 0.000 0.483 134 S N 6.893 122.316 115.700 -0.462 0.000 2.521 134 S HA 0.546 5.006 4.470 -0.017 0.000 0.295 134 S C -2.014 172.455 174.600 -0.218 0.000 1.098 134 S CA -0.692 57.279 58.200 -0.381 0.000 0.999 134 S CB 1.969 64.758 63.200 -0.684 0.000 1.034 134 S HN 0.608 nan 8.310 nan 0.000 0.483 135 P HA 0.156 nan 4.420 nan 0.000 0.226 135 P C -0.455 176.672 177.300 -0.289 0.000 1.161 135 P CA 0.642 63.528 63.100 -0.356 0.000 0.804 135 P CB 0.102 31.263 31.700 -0.899 0.000 0.829 136 F N -0.211 119.944 119.950 0.341 0.000 2.430 136 F HA 0.362 4.879 4.527 -0.017 0.000 0.362 136 F C 1.579 177.552 175.800 0.289 0.000 1.103 136 F CA -1.399 56.770 58.000 0.282 0.000 1.045 136 F CB 0.548 39.651 39.000 0.171 0.000 1.276 136 F HN -0.274 nan 8.300 nan 0.000 0.444 137 I N 1.599 122.388 120.570 0.366 0.000 2.361 137 I HA -0.087 4.073 4.170 -0.017 0.000 0.251 137 I C -0.031 176.034 176.117 -0.086 0.000 1.133 137 I CA 1.271 62.610 61.300 0.065 0.000 1.413 137 I CB 0.311 38.303 38.000 -0.012 0.000 1.073 137 I HN 0.137 nan 8.210 nan 0.000 0.424 138 V N 2.653 122.591 119.914 0.040 0.000 2.409 138 V HA 0.369 4.479 4.120 -0.017 0.000 0.291 138 V C -0.859 175.272 176.094 0.061 0.000 1.020 138 V CA -0.537 61.758 62.300 -0.007 0.000 0.848 138 V CB 1.170 32.974 31.823 -0.030 0.000 0.990 138 V HN 0.584 nan 8.190 nan 0.000 0.430 139 N N 2.655 121.378 118.700 0.039 0.000 3.039 139 N HA 0.269 4.999 4.740 -0.017 0.000 0.257 139 N C 0.435 175.927 175.510 -0.030 0.000 1.497 139 N CA -0.809 52.267 53.050 0.042 0.000 0.861 139 N CB 0.906 39.496 38.487 0.172 0.000 1.479 139 N HN 0.313 nan 8.380 nan 0.000 0.547 140 Q N -0.058 119.710 119.800 -0.053 0.000 2.389 140 Q HA 0.098 4.428 4.340 -0.017 0.000 0.204 140 Q C 0.566 176.480 176.000 -0.144 0.000 0.944 140 Q CA 1.106 56.859 55.803 -0.083 0.000 0.908 140 Q CB 0.013 28.708 28.738 -0.072 0.000 1.002 140 Q HN 0.860 nan 8.270 nan 0.000 0.493 141 I N 0.132 120.623 120.570 -0.131 0.000 3.565 141 I HA 0.079 4.239 4.170 -0.017 0.000 0.287 141 I C 0.307 176.432 176.117 0.014 0.000 1.193 141 I CA 0.442 61.664 61.300 -0.130 0.000 1.402 141 I CB 0.501 38.307 38.000 -0.324 0.000 1.284 141 I HN 0.257 nan 8.210 nan 0.000 0.454 142 N N 0.262 119.054 118.700 0.154 0.000 3.621 142 N HA 0.497 5.227 4.740 -0.017 0.000 0.345 142 N C -0.170 175.418 175.510 0.130 0.000 1.646 142 N CA 0.407 53.587 53.050 0.217 0.000 0.731 142 N CB 0.505 39.294 38.487 0.503 0.000 2.435 142 N HN 0.253 nan 8.380 nan 0.000 0.613 143 G N -1.329 107.557 108.800 0.144 0.000 2.663 143 G HA2 -0.068 3.882 3.960 -0.017 0.000 0.686 143 G HA3 -0.068 3.882 3.960 -0.017 0.000 0.686 143 G C -2.328 172.418 174.900 -0.257 0.000 1.288 143 G CA -0.195 44.798 45.100 -0.180 0.000 0.836 143 G HN 0.549 nan 8.290 nan 0.000 0.584 144 P HA -0.035 nan 4.420 nan 0.000 0.218 144 P C 2.083 179.268 177.300 -0.192 0.000 1.149 144 P CA 1.180 64.071 63.100 -0.349 0.000 0.817 144 P CB 0.062 31.372 31.700 -0.649 0.000 0.785 145 L N -1.710 119.382 121.223 -0.218 0.000 2.465 145 L HA 0.010 4.340 4.340 -0.017 0.000 0.224 145 L C 2.397 179.321 176.870 0.090 0.000 1.145 145 L CA 0.743 55.531 54.840 -0.087 0.000 0.834 145 L CB -0.409 41.505 42.059 -0.243 0.000 0.944 145 L HN -0.084 nan 8.230 nan 0.000 0.451 146 I N -1.185 119.348 120.570 -0.063 0.000 2.947 146 I HA -0.064 4.096 4.170 -0.017 0.000 0.263 146 I C 1.632 177.773 176.117 0.041 0.000 1.130 146 I CA 0.409 61.647 61.300 -0.104 0.000 1.448 146 I CB 0.072 37.861 38.000 -0.352 0.000 1.222 146 I HN 0.113 nan 8.210 nan 0.000 0.453 147 D N 1.201 121.620 120.400 0.032 0.000 2.194 147 D HA -0.010 4.620 4.640 -0.017 0.000 0.204 147 D C 2.240 178.614 176.300 0.124 0.000 0.964 147 D CA 1.137 55.182 54.000 0.076 0.000 0.846 147 D CB 0.201 41.051 40.800 0.084 0.000 0.962 147 D HN 0.299 nan 8.370 nan 0.000 0.490 148 I N 1.297 121.950 120.570 0.138 0.000 2.252 148 I HA -0.164 3.996 4.170 -0.017 0.000 0.245 148 I C -0.670 175.654 176.117 0.345 0.000 1.102 148 I CA 0.971 62.390 61.300 0.199 0.000 1.385 148 I CB -1.049 37.027 38.000 0.126 0.000 1.064 148 I HN -0.037 nan 8.210 nan 0.000 0.414 149 P HA -0.170 nan 4.420 nan 0.000 0.217 149 P C 1.503 178.944 177.300 0.235 0.000 1.150 149 P CA 1.286 64.627 63.100 0.403 0.000 0.832 149 P CB -0.031 31.862 31.700 0.321 0.000 0.787 150 R N -0.058 120.548 120.500 0.177 0.000 2.081 150 R HA -0.105 4.225 4.340 -0.017 0.000 0.235 150 R C 1.913 178.292 176.300 0.131 0.000 1.131 150 R CA 1.562 57.728 56.100 0.109 0.000 0.960 150 R CB -1.369 28.961 30.300 0.051 0.000 0.856 150 R HN -0.038 nan 8.270 nan 0.000 0.436 151 V N 0.682 120.689 119.914 0.154 0.000 2.295 151 V HA -0.268 3.842 4.120 -0.017 0.000 0.246 151 V C 2.348 178.573 176.094 0.219 0.000 1.049 151 V CA 2.216 64.608 62.300 0.153 0.000 1.024 151 V CB -0.416 31.489 31.823 0.137 0.000 0.648 151 V HN 0.397 nan 8.190 nan 0.000 0.447 152 M N -0.873 118.908 119.600 0.302 0.000 2.213 152 M HA -0.237 4.233 4.480 -0.017 0.000 0.263 152 M C 2.219 178.814 176.300 0.492 0.000 1.062 152 M CA 1.810 57.357 55.300 0.411 0.000 1.105 152 M CB -0.330 32.554 32.600 0.473 0.000 1.385 152 M HN 0.391 nan 8.290 nan 0.000 0.417 153 Q N -0.807 119.221 119.800 0.380 0.000 2.354 153 Q HA 0.035 4.365 4.340 -0.017 0.000 0.203 153 Q C 1.430 177.558 176.000 0.214 0.000 0.933 153 Q CA 0.590 56.587 55.803 0.323 0.000 0.901 153 Q CB 0.304 29.166 28.738 0.207 0.000 1.007 153 Q HN 0.542 nan 8.270 nan 0.000 0.495 154 N N -0.165 118.644 118.700 0.183 0.000 2.545 154 N HA -0.009 4.721 4.740 -0.017 0.000 0.190 154 N C 0.652 176.253 175.510 0.151 0.000 1.043 154 N CA 0.767 53.913 53.050 0.159 0.000 0.879 154 N CB 0.558 39.122 38.487 0.128 0.000 1.210 154 N HN 0.149 nan 8.380 nan 0.000 0.437 155 D N 0.639 121.125 120.400 0.142 0.000 2.388 155 D HA -0.018 4.612 4.640 -0.017 0.000 0.208 155 D C 0.572 176.944 176.300 0.121 0.000 1.035 155 D CA 0.214 54.283 54.000 0.114 0.000 0.875 155 D CB 0.710 41.560 40.800 0.084 0.000 0.984 155 D HN 0.194 nan 8.370 nan 0.000 0.508 156 Q N 2.527 122.425 119.800 0.163 0.000 2.293 156 Q HA 0.155 4.485 4.340 -0.017 0.000 0.263 156 Q C -2.384 173.695 176.000 0.132 0.000 1.002 156 Q CA -1.571 54.335 55.803 0.172 0.000 0.910 156 Q CB 1.200 30.099 28.738 0.268 0.000 1.185 156 Q HN -0.086 nan 8.270 nan 0.000 0.401 157 P HA 0.107 nan 4.420 nan 0.000 0.275 157 P C -0.828 176.490 177.300 0.030 0.000 1.227 157 P CA 0.284 63.416 63.100 0.052 0.000 0.781 157 P CB 0.664 32.391 31.700 0.045 0.000 0.906 158 I N 2.561 123.111 120.570 -0.033 0.000 2.698 158 I HA 0.145 4.305 4.170 -0.017 0.000 0.276 158 I C 0.907 176.959 176.117 -0.107 0.000 1.166 158 I CA -0.085 61.158 61.300 -0.096 0.000 1.101 158 I CB 0.992 38.844 38.000 -0.246 0.000 1.305 158 I HN 0.373 nan 8.210 nan 0.000 0.526 159 T N -1.519 113.001 114.554 -0.055 0.000 3.058 159 T HA 0.221 4.561 4.350 -0.017 0.000 0.278 159 T C 0.461 175.139 174.700 -0.037 0.000 0.974 159 T CA 0.154 62.224 62.100 -0.051 0.000 0.893 159 T CB 0.344 69.195 68.868 -0.027 0.000 1.138 159 T HN 0.470 nan 8.240 nan 0.000 0.529 160 T N -2.042 112.498 114.554 -0.023 0.000 2.821 160 T HA 0.478 4.818 4.350 -0.017 0.000 0.306 160 T C 0.568 175.275 174.700 0.012 0.000 1.313 160 T CA -0.481 61.616 62.100 -0.004 0.000 1.012 160 T CB 2.175 71.048 68.868 0.009 0.000 1.298 160 T HN -0.011 nan 8.240 nan 0.000 0.502 161 E N 0.453 120.667 120.200 0.022 0.000 2.077 161 E HA -0.200 4.140 4.350 -0.017 0.000 0.193 161 E C 1.821 178.459 176.600 0.062 0.000 0.989 161 E CA 1.461 57.889 56.400 0.046 0.000 0.800 161 E CB -0.043 29.680 29.700 0.038 0.000 0.746 161 E HN 0.575 nan 8.360 nan 0.000 0.452 162 K N 1.140 121.570 120.400 0.049 0.000 2.057 162 K HA -0.176 4.134 4.320 -0.017 0.000 0.207 162 K C 1.757 178.402 176.600 0.075 0.000 1.049 162 K CA 1.958 58.279 56.287 0.056 0.000 0.931 162 K CB -0.079 32.446 32.500 0.042 0.000 0.714 162 K HN 0.193 nan 8.250 nan 0.000 0.440 163 E N -0.383 119.859 120.200 0.070 0.000 2.106 163 E HA -0.133 4.207 4.350 -0.017 0.000 0.192 163 E C 1.937 178.623 176.600 0.144 0.000 0.984 163 E CA 0.958 57.412 56.400 0.091 0.000 0.806 163 E CB -0.179 29.556 29.700 0.058 0.000 0.750 163 E HN 0.462 nan 8.360 nan 0.000 0.458 164 A N 1.125 124.034 122.820 0.149 0.000 1.902 164 A HA -0.159 4.151 4.320 -0.017 0.000 0.217 164 A C 2.160 179.910 177.584 0.276 0.000 1.181 164 A CA 1.051 53.266 52.037 0.295 0.000 0.623 164 A CB -0.553 18.636 19.000 0.316 0.000 0.818 164 A HN 0.139 nan 8.150 nan 0.000 0.443 165 L N -0.565 120.761 121.223 0.173 0.000 2.093 165 L HA -0.155 4.175 4.340 -0.017 0.000 0.208 165 L C 1.922 178.867 176.870 0.125 0.000 1.085 165 L CA 1.130 56.043 54.840 0.122 0.000 0.755 165 L CB -0.605 41.504 42.059 0.083 0.000 0.904 165 L HN 0.289 nan 8.230 nan 0.000 0.435 166 D N -0.685 119.799 120.400 0.141 0.000 2.149 166 D HA -0.252 4.378 4.640 -0.017 0.000 0.198 166 D C 1.870 178.277 176.300 0.178 0.000 0.990 166 D CA 1.318 55.401 54.000 0.139 0.000 0.839 166 D CB -0.167 40.714 40.800 0.135 0.000 0.948 166 D HN 0.322 nan 8.370 nan 0.000 0.460 167 Y N 1.027 121.377 120.300 0.084 0.000 2.200 167 Y HA -0.116 4.424 4.550 -0.017 0.000 0.290 167 Y C 2.219 178.097 175.900 -0.036 0.000 1.137 167 Y CA 1.130 59.271 58.100 0.068 0.000 1.163 167 Y CB -0.220 38.341 38.460 0.168 0.000 0.988 167 Y HN -0.107 nan 8.280 nan 0.000 0.518 168 I N -1.290 119.341 120.570 0.103 0.000 2.179 168 I HA -0.301 3.859 4.170 -0.017 0.000 0.242 168 I C 2.208 178.287 176.117 -0.062 0.000 1.088 168 I CA 1.181 62.450 61.300 -0.051 0.000 1.357 168 I CB -0.496 37.483 38.000 -0.035 0.000 1.051 168 I HN 0.042 nan 8.210 nan 0.000 0.409 169 V N 0.694 120.610 119.914 0.003 0.000 2.343 169 V HA -0.271 3.839 4.120 -0.017 0.000 0.247 169 V C 2.571 178.679 176.094 0.025 0.000 1.051 169 V CA 1.797 64.109 62.300 0.019 0.000 1.036 169 V CB -0.743 31.107 31.823 0.044 0.000 0.654 169 V HN 0.357 nan 8.190 nan 0.000 0.451 170 R N -0.421 120.087 120.500 0.012 0.000 2.073 170 R HA -0.102 4.228 4.340 -0.017 0.000 0.234 170 R C 2.315 178.662 176.300 0.079 0.000 1.134 170 R CA 1.477 57.603 56.100 0.044 0.000 0.952 170 R CB -0.472 29.848 30.300 0.033 0.000 0.850 170 R HN 0.418 nan 8.270 nan 0.000 0.433 171 L N -0.462 120.656 121.223 -0.176 0.000 2.079 171 L HA -0.130 4.200 4.340 -0.017 0.000 0.210 171 L C 2.450 179.257 176.870 -0.104 0.000 1.081 171 L CA 1.400 56.008 54.840 -0.386 0.000 0.752 171 L CB -0.723 40.930 42.059 -0.677 0.000 0.896 171 L HN 0.386 nan 8.230 nan 0.000 0.433 172 G N -1.048 107.731 108.800 -0.034 0.000 2.559 172 G HA2 -0.186 3.764 3.960 -0.017 0.000 0.216 172 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.216 172 G C 1.346 176.317 174.900 0.118 0.000 1.126 172 G CA 0.117 45.232 45.100 0.025 0.000 0.778 172 G HN 0.449 nan 8.290 nan 0.000 0.543 173 Q N -0.827 119.092 119.800 0.199 0.000 2.246 173 Q HA 0.252 4.582 4.340 -0.017 0.000 0.202 173 Q C 1.065 177.243 176.000 0.297 0.000 0.883 173 Q CA -0.490 55.458 55.803 0.242 0.000 0.952 173 Q CB 0.131 29.014 28.738 0.241 0.000 1.078 173 Q HN 0.423 nan 8.270 nan 0.000 0.493 174 F N 2.015 122.010 119.950 0.075 0.000 2.502 174 F HA -0.148 4.369 4.527 -0.017 0.000 0.298 174 F C 1.866 177.728 175.800 0.104 0.000 1.111 174 F CA 1.064 59.124 58.000 0.101 0.000 1.445 174 F CB 0.015 39.086 39.000 0.117 0.000 1.081 174 F HN 0.243 nan 8.300 nan 0.000 0.558 175 D N 0.144 120.690 120.400 0.244 0.000 2.097 175 D HA -0.233 4.397 4.640 -0.017 0.000 0.195 175 D C 1.994 178.359 176.300 0.109 0.000 0.989 175 D CA 1.312 55.401 54.000 0.148 0.000 0.827 175 D CB -0.781 40.082 40.800 0.106 0.000 0.966 175 D HN 0.253 nan 8.370 nan 0.000 0.456 176 K N -0.312 120.165 120.400 0.129 0.000 2.103 176 K HA -0.066 4.244 4.320 -0.017 0.000 0.204 176 K C 2.237 178.959 176.600 0.203 0.000 1.052 176 K CA 0.377 56.719 56.287 0.091 0.000 0.945 176 K CB -0.199 32.283 32.500 -0.030 0.000 0.722 176 K HN 0.071 nan 8.250 nan 0.000 0.443 177 L N 1.241 122.616 121.223 0.252 0.000 1.990 177 L HA -0.206 4.124 4.340 -0.017 0.000 0.213 177 L C 2.198 179.095 176.870 0.046 0.000 1.072 177 L CA 2.397 57.313 54.840 0.128 0.000 0.755 177 L CB -0.961 40.971 42.059 -0.212 0.000 0.889 177 L HN 0.233 nan 8.230 nan 0.000 0.432 178 A N -0.660 122.154 122.820 -0.010 0.000 1.902 178 A HA -0.112 4.198 4.320 -0.017 0.000 0.217 178 A C 2.435 180.014 177.584 -0.008 0.000 1.181 178 A CA 2.101 54.108 52.037 -0.050 0.000 0.623 178 A CB -1.276 17.701 19.000 -0.040 0.000 0.818 178 A HN 0.644 nan 8.150 nan 0.000 0.443 179 A N -0.399 122.436 122.820 0.024 0.000 1.930 179 A HA -0.072 4.238 4.320 -0.017 0.000 0.217 179 A C 2.425 180.026 177.584 0.029 0.000 1.175 179 A CA 2.440 54.487 52.037 0.018 0.000 0.627 179 A CB -1.270 17.736 19.000 0.010 0.000 0.815 179 A HN 0.759 nan 8.150 nan 0.000 0.443 180 T N -1.703 112.889 114.554 0.063 0.000 2.857 180 T HA -0.007 4.333 4.350 -0.017 0.000 0.266 180 T C 1.843 176.604 174.700 0.102 0.000 1.048 180 T CA 1.223 63.378 62.100 0.092 0.000 1.139 180 T CB -0.556 68.404 68.868 0.153 0.000 0.874 180 T HN 0.325 nan 8.240 nan 0.000 0.455 181 I N 0.983 121.600 120.570 0.078 0.000 2.163 181 I HA -0.112 4.048 4.170 -0.017 0.000 0.243 181 I C 2.537 178.654 176.117 0.000 0.000 1.085 181 I CA 1.511 62.813 61.300 0.004 0.000 1.347 181 I CB -0.406 37.528 38.000 -0.110 0.000 1.044 181 I HN 0.218 nan 8.210 nan 0.000 0.408 182 I N 0.402 120.969 120.570 -0.004 0.000 2.226 182 I HA -0.298 3.862 4.170 -0.017 0.000 0.245 182 I C 2.613 178.744 176.117 0.023 0.000 1.100 182 I CA 1.401 62.703 61.300 0.003 0.000 1.374 182 I CB -0.399 37.599 38.000 -0.003 0.000 1.057 182 I HN 0.276 nan 8.210 nan 0.000 0.413 183 E N 1.031 121.249 120.200 0.030 0.000 2.085 183 E HA -0.312 4.028 4.350 -0.017 0.000 0.194 183 E C 2.094 178.723 176.600 0.048 0.000 0.994 183 E CA 1.444 57.865 56.400 0.034 0.000 0.801 183 E CB 0.115 29.834 29.700 0.031 0.000 0.743 183 E HN 0.130 nan 8.360 nan 0.000 0.453 184 K N 0.900 121.339 120.400 0.065 0.000 2.062 184 K HA -0.152 4.158 4.320 -0.017 0.000 0.205 184 K C 2.042 178.694 176.600 0.085 0.000 1.051 184 K CA 1.507 57.842 56.287 0.081 0.000 0.941 184 K CB -0.246 32.323 32.500 0.114 0.000 0.719 184 K HN 0.095 nan 8.250 nan 0.000 0.440 185 Q N -0.563 119.282 119.800 0.077 0.000 2.124 185 Q HA -0.141 4.189 4.340 -0.017 0.000 0.202 185 Q C 1.370 177.424 176.000 0.090 0.000 0.977 185 Q CA 1.991 57.851 55.803 0.095 0.000 0.850 185 Q CB -0.039 28.735 28.738 0.060 0.000 0.901 185 Q HN 0.339 nan 8.270 nan 0.000 0.429 186 T N 0.387 114.979 114.554 0.063 0.000 2.777 186 T HA -0.069 4.271 4.350 -0.017 0.000 0.266 186 T C 1.757 176.493 174.700 0.061 0.000 1.040 186 T CA 1.100 63.233 62.100 0.054 0.000 1.141 186 T CB -0.332 68.558 68.868 0.036 0.000 0.868 186 T HN 0.462 nan 8.240 nan 0.000 0.444 187 A N 2.154 125.009 122.820 0.059 0.000 1.883 187 A HA -0.188 4.122 4.320 -0.017 0.000 0.217 187 A C 2.086 179.714 177.584 0.073 0.000 1.186 187 A CA 1.990 54.059 52.037 0.053 0.000 0.624 187 A CB -0.770 18.255 19.000 0.042 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.444 188 D N 0.061 120.523 120.400 0.104 0.000 2.117 188 D HA -0.048 4.582 4.640 -0.017 0.000 0.197 188 D C 2.187 178.613 176.300 0.211 0.000 0.987 188 D CA 1.612 55.711 54.000 0.164 0.000 0.829 188 D CB -0.550 40.396 40.800 0.244 0.000 0.961 188 D HN 0.434 nan 8.370 nan 0.000 0.460 189 A N 0.854 123.773 122.820 0.165 0.000 2.019 189 A HA -0.044 4.266 4.320 -0.017 0.000 0.219 189 A C 2.258 179.898 177.584 0.094 0.000 1.164 189 A CA 1.970 54.082 52.037 0.125 0.000 0.644 189 A CB -0.622 18.427 19.000 0.082 0.000 0.805 189 A HN 0.234 nan 8.150 nan 0.000 0.449 190 A N -0.975 121.893 122.820 0.080 0.000 2.015 190 A HA -0.141 4.169 4.320 -0.017 0.000 0.219 190 A C 1.911 179.534 177.584 0.064 0.000 1.163 190 A CA 1.418 53.490 52.037 0.058 0.000 0.646 190 A CB -0.331 18.695 19.000 0.044 0.000 0.806 190 A HN 0.637 nan 8.150 nan 0.000 0.448 191 Q N -0.640 119.215 119.800 0.091 0.000 2.280 191 Q HA 0.074 4.404 4.340 -0.017 0.000 0.202 191 Q C -0.461 175.627 176.000 0.147 0.000 0.903 191 Q CA -0.218 55.645 55.803 0.101 0.000 0.948 191 Q CB 0.234 29.034 28.738 0.104 0.000 1.058 191 Q HN 0.628 nan 8.270 nan 0.000 0.493 192 N N -0.448 118.332 118.700 0.134 0.000 2.741 192 N HA -0.205 4.525 4.740 -0.017 0.000 0.250 192 N C -1.464 174.152 175.510 0.176 0.000 1.115 192 N CA 0.779 53.899 53.050 0.116 0.000 0.724 192 N CB -1.160 37.374 38.487 0.080 0.000 1.090 192 N HN 0.484 nan 8.380 nan 0.000 0.558 193 W N 1.888 123.216 121.300 0.046 0.000 2.278 193 W HA 0.519 5.169 4.660 -0.017 0.000 0.317 193 W C -1.008 175.578 176.519 0.112 0.000 1.030 193 W CA -0.363 57.029 57.345 0.078 0.000 1.334 193 W CB 0.384 29.892 29.460 0.079 0.000 1.215 193 W HN 0.041 nan 8.180 nan 0.000 0.405 194 L N 4.393 125.577 121.223 -0.065 0.000 2.568 194 L HA 0.713 5.043 4.340 -0.017 0.000 0.257 194 L C -3.050 173.661 176.870 -0.265 0.000 1.024 194 L CA -3.133 51.698 54.840 -0.015 0.000 0.854 194 L CB 0.336 42.389 42.059 -0.010 0.000 1.460 194 L HN 0.071 nan 8.230 nan 0.000 0.409 195 P HA 0.325 nan 4.420 nan 0.000 0.274 195 P C -0.352 176.614 177.300 -0.558 0.000 1.246 195 P CA -0.277 62.217 63.100 -1.010 0.000 0.795 195 P CB 0.527 31.700 31.700 -0.878 0.000 1.006 196 S N 0.784 116.164 115.700 -0.534 0.000 2.569 196 S HA 0.023 4.483 4.470 -0.017 0.000 0.274 196 S C 1.139 175.589 174.600 -0.250 0.000 1.353 196 S CA -0.015 57.992 58.200 -0.321 0.000 1.023 196 S CB 0.169 63.217 63.200 -0.254 0.000 0.876 196 S HN 0.313 nan 8.310 nan 0.000 0.540 197 K N 0.757 121.054 120.400 -0.172 0.000 2.074 197 K HA -0.102 4.208 4.320 -0.017 0.000 0.209 197 K C 2.057 178.587 176.600 -0.116 0.000 1.048 197 K CA 1.568 57.780 56.287 -0.126 0.000 0.926 197 K CB -0.715 31.731 32.500 -0.090 0.000 0.713 197 K HN 0.482 nan 8.250 nan 0.000 0.444 198 V N 1.266 121.112 119.914 -0.114 0.000 2.287 198 V HA -0.276 3.834 4.120 -0.017 0.000 0.248 198 V C 2.172 178.198 176.094 -0.114 0.000 1.053 198 V CA 2.195 64.437 62.300 -0.096 0.000 1.027 198 V CB -0.607 31.167 31.823 -0.081 0.000 0.646 198 V HN 0.434 nan 8.190 nan 0.000 0.447 199 T N 0.007 114.461 114.554 -0.166 0.000 2.737 199 T HA -0.141 4.199 4.350 -0.017 0.000 0.265 199 T C 1.866 176.472 174.700 -0.156 0.000 1.038 199 T CA 1.463 63.452 62.100 -0.185 0.000 1.144 199 T CB -0.321 68.357 68.868 -0.317 0.000 0.866 199 T HN 0.225 nan 8.240 nan 0.000 0.434 200 L N 1.259 122.377 121.223 -0.175 0.000 2.046 200 L HA -0.063 4.267 4.340 -0.017 0.000 0.208 200 L C 2.476 179.306 176.870 -0.067 0.000 1.077 200 L CA 1.714 56.483 54.840 -0.119 0.000 0.747 200 L CB -0.743 41.241 42.059 -0.126 0.000 0.896 200 L HN 0.278 nan 8.230 nan 0.000 0.432 201 Q N -1.298 118.462 119.800 -0.066 0.000 2.124 201 Q HA -0.125 4.206 4.340 -0.017 0.000 0.202 201 Q C 2.086 178.073 176.000 -0.022 0.000 0.977 201 Q CA 1.309 57.088 55.803 -0.039 0.000 0.850 201 Q CB -0.496 28.216 28.738 -0.042 0.000 0.901 201 Q HN 0.657 nan 8.270 nan 0.000 0.429 202 G N 0.589 109.369 108.800 -0.034 0.000 2.408 202 G HA2 -0.185 3.765 3.960 -0.017 0.000 0.217 202 G HA3 -0.185 3.765 3.960 -0.017 0.000 0.217 202 G C 1.477 176.394 174.900 0.028 0.000 1.150 202 G CA 0.743 45.834 45.100 -0.014 0.000 0.776 202 G HN 0.403 nan 8.290 nan 0.000 0.542 203 A N 0.950 123.778 122.820 0.012 0.000 1.877 203 A HA 0.019 4.329 4.320 -0.017 0.000 0.216 203 A C 2.381 180.030 177.584 0.108 0.000 1.186 203 A CA 1.315 53.387 52.037 0.059 0.000 0.620 203 A CB -0.408 18.601 19.000 0.015 0.000 0.822 203 A HN 0.357 nan 8.150 nan 0.000 0.443 204 I N -0.333 120.267 120.570 0.051 0.000 2.208 204 I HA -0.305 3.855 4.170 -0.017 0.000 0.245 204 I C 2.547 178.697 176.117 0.056 0.000 1.097 204 I CA 2.006 63.333 61.300 0.044 0.000 1.363 204 I CB -0.208 37.799 38.000 0.012 0.000 1.051 204 I HN 0.432 nan 8.210 nan 0.000 0.413 205 K N 0.469 120.903 120.400 0.057 0.000 2.057 205 K HA -0.273 4.037 4.320 -0.017 0.000 0.207 205 K C 2.405 179.050 176.600 0.075 0.000 1.049 205 K CA 1.646 57.962 56.287 0.048 0.000 0.931 205 K CB -0.356 32.167 32.500 0.038 0.000 0.714 205 K HN 0.276 nan 8.250 nan 0.000 0.440 206 Y N 1.479 121.795 120.300 0.026 0.000 2.145 206 Y HA -0.191 4.349 4.550 -0.017 0.000 0.286 206 Y C 1.695 177.667 175.900 0.119 0.000 1.145 206 Y CA 1.673 59.809 58.100 0.061 0.000 1.148 206 Y CB -0.245 38.244 38.460 0.048 0.000 0.981 206 Y HN 0.005 nan 8.280 nan 0.000 0.507 207 L N 0.388 121.632 121.223 0.035 0.000 2.046 207 L HA -0.220 4.110 4.340 -0.017 0.000 0.208 207 L C 2.663 179.529 176.870 -0.007 0.000 1.077 207 L CA 1.900 56.753 54.840 0.022 0.000 0.747 207 L CB -0.614 41.510 42.059 0.107 0.000 0.896 207 L HN 0.175 nan 8.230 nan 0.000 0.432 208 K N 0.324 120.717 120.400 -0.012 0.000 2.026 208 K HA -0.160 4.150 4.320 -0.017 0.000 0.208 208 K C 2.070 178.632 176.600 -0.062 0.000 1.048 208 K CA 1.503 57.775 56.287 -0.026 0.000 0.929 208 K CB -0.373 32.120 32.500 -0.012 0.000 0.713 208 K HN 0.324 nan 8.250 nan 0.000 0.439 209 G N 0.357 109.106 108.800 -0.085 0.000 2.450 209 G HA2 -0.279 3.671 3.960 -0.017 0.000 0.220 209 G HA3 -0.279 3.671 3.960 -0.017 0.000 0.220 209 G C 1.321 176.127 174.900 -0.156 0.000 1.130 209 G CA 0.608 45.642 45.100 -0.110 0.000 0.760 209 G HN 0.379 nan 8.290 nan 0.000 0.557 210 F N 2.164 121.880 119.950 -0.389 0.000 2.171 210 F HA -0.053 4.464 4.527 -0.017 0.000 0.300 210 F C 2.649 178.266 175.800 -0.305 0.000 1.090 210 F CA 1.997 59.750 58.000 -0.411 0.000 1.293 210 F CB 0.109 38.752 39.000 -0.595 0.000 1.013 210 F HN 0.194 nan 8.300 nan 0.000 0.486 211 T N -3.206 111.197 114.554 -0.252 0.000 3.215 211 T HA 0.144 4.484 4.350 -0.017 0.000 0.271 211 T C 1.570 176.142 174.700 -0.213 0.000 1.012 211 T CA 0.302 62.047 62.100 -0.592 0.000 0.899 211 T CB -0.487 67.876 68.868 -0.841 0.000 1.089 211 T HN 0.233 nan 8.240 nan 0.000 0.552 212 S N 0.390 116.027 115.700 -0.105 0.000 2.414 212 S HA 0.314 4.774 4.470 -0.017 0.000 0.227 212 S C 1.350 175.961 174.600 0.019 0.000 1.022 212 S CA 0.102 58.281 58.200 -0.036 0.000 0.958 212 S CB -0.558 62.612 63.200 -0.049 0.000 0.797 212 S HN 0.698 nan 8.310 nan 0.000 0.493 213 G N 1.589 110.410 108.800 0.036 0.000 2.522 213 G HA2 0.496 4.446 3.960 -0.017 0.000 0.304 213 G HA3 0.496 4.446 3.960 -0.017 0.000 0.304 213 G C -0.202 174.796 174.900 0.164 0.000 1.210 213 G CA -0.248 44.890 45.100 0.064 0.000 0.960 213 G HN 0.539 nan 8.290 nan 0.000 0.497 214 S N -0.808 114.948 115.700 0.092 0.000 2.585 214 S HA 0.405 4.865 4.470 -0.017 0.000 0.273 214 S C 1.582 176.193 174.600 0.018 0.000 1.339 214 S CA 0.181 58.416 58.200 0.058 0.000 1.028 214 S CB 1.489 64.691 63.200 0.003 0.000 0.906 214 S HN 1.230 nan 8.310 nan 0.000 0.528 215 A N 1.529 124.211 122.820 -0.230 0.000 1.940 215 A HA -0.079 4.231 4.320 -0.017 0.000 0.219 215 A C 1.904 179.398 177.584 -0.151 0.000 1.176 215 A CA 1.645 53.405 52.037 -0.462 0.000 0.631 215 A CB -1.011 17.528 19.000 -0.768 0.000 0.814 215 A HN 0.866 nan 8.150 nan 0.000 0.446 216 E N -0.084 120.055 120.200 -0.102 0.000 2.338 216 E HA -0.095 4.245 4.350 -0.017 0.000 0.197 216 E C 1.433 178.034 176.600 0.001 0.000 1.007 216 E CA 0.890 57.264 56.400 -0.045 0.000 0.849 216 E CB -0.007 29.670 29.700 -0.038 0.000 0.774 216 E HN 0.535 nan 8.360 nan 0.000 0.506 217 Q N -0.356 119.452 119.800 0.013 0.000 2.179 217 Q HA 0.064 4.394 4.340 -0.017 0.000 0.213 217 Q C -0.175 175.835 176.000 0.017 0.000 0.833 217 Q CA -0.080 55.733 55.803 0.015 0.000 0.990 217 Q CB 0.324 29.060 28.738 -0.003 0.000 1.132 217 Q HN 0.423 nan 8.270 nan 0.000 0.493 218 H N 1.379 120.428 119.070 -0.035 0.000 2.771 218 H HA 0.033 4.579 4.556 -0.016 0.000 0.364 218 H C -1.615 173.683 175.328 -0.050 0.000 1.133 218 H CA -1.198 54.813 56.048 -0.061 0.000 1.423 218 H CB 1.499 31.247 29.762 -0.023 0.000 1.425 218 H HN -0.150 nan 8.280 nan 0.000 0.606 219 P HA -0.149 nan 4.420 nan 0.000 0.218 219 P C 1.280 178.654 177.300 0.123 0.000 1.148 219 P CA 0.979 63.958 63.100 -0.201 0.000 0.822 219 P CB -0.034 31.433 31.700 -0.389 0.000 0.784 220 F N -0.526 119.617 119.950 0.322 0.000 2.120 220 F HA -0.190 4.327 4.527 -0.016 0.000 0.300 220 F C 2.311 178.300 175.800 0.316 0.000 1.095 220 F CA 1.190 59.385 58.000 0.326 0.000 1.249 220 F CB -1.463 37.637 39.000 0.167 0.000 0.995 220 F HN -0.231 nan 8.300 nan 0.000 0.480 221 V N -0.127 120.025 119.914 0.398 0.000 2.270 221 V HA -0.292 3.818 4.120 -0.017 0.000 0.245 221 V C 1.880 178.119 176.094 0.242 0.000 1.043 221 V CA 2.224 64.679 62.300 0.259 0.000 1.014 221 V CB -0.940 30.971 31.823 0.145 0.000 0.645 221 V HN 0.336 nan 8.190 nan 0.000 0.447 222 N N 0.084 118.883 118.700 0.165 0.000 2.166 222 N HA -0.145 4.585 4.740 -0.017 0.000 0.186 222 N C 1.755 177.331 175.510 0.110 0.000 1.019 222 N CA 1.262 54.375 53.050 0.106 0.000 0.856 222 N CB -0.200 38.313 38.487 0.043 0.000 0.993 222 N HN 0.291 nan 8.380 nan 0.000 0.426 223 V N 0.834 120.836 119.914 0.147 0.000 2.295 223 V HA -0.236 3.874 4.120 -0.017 0.000 0.246 223 V C 1.813 177.961 176.094 0.089 0.000 1.049 223 V CA 1.525 63.900 62.300 0.125 0.000 1.024 223 V CB -0.653 31.284 31.823 0.190 0.000 0.648 223 V HN 0.282 nan 8.190 nan 0.000 0.447 224 F N 1.085 121.034 119.950 -0.003 0.000 2.126 224 F HA -0.191 4.326 4.527 -0.017 0.000 0.299 224 F C 2.585 178.344 175.800 -0.068 0.000 1.096 224 F CA 1.754 59.674 58.000 -0.133 0.000 1.255 224 F CB -0.209 38.735 39.000 -0.094 0.000 0.997 224 F HN -0.025 nan 8.300 nan 0.000 0.479 225 R N -0.031 120.552 120.500 0.138 0.000 2.081 225 R HA -0.210 4.120 4.340 -0.017 0.000 0.235 225 R C 2.261 178.519 176.300 -0.070 0.000 1.131 225 R CA 1.781 57.905 56.100 0.041 0.000 0.960 225 R CB -0.597 29.752 30.300 0.081 0.000 0.856 225 R HN 0.444 nan 8.270 nan 0.000 0.436 226 E N 1.143 121.311 120.200 -0.052 0.000 2.072 226 E HA -0.179 4.161 4.350 -0.017 0.000 0.191 226 E C 1.564 178.095 176.600 -0.114 0.000 0.985 226 E CA 1.222 57.585 56.400 -0.061 0.000 0.801 226 E CB 0.224 29.909 29.700 -0.026 0.000 0.750 226 E HN 0.214 nan 8.360 nan 0.000 0.452 227 K N 0.021 120.314 120.400 -0.179 0.000 2.062 227 K HA -0.084 4.226 4.320 -0.017 0.000 0.205 227 K C 2.177 178.597 176.600 -0.299 0.000 1.051 227 K CA 0.925 57.078 56.287 -0.224 0.000 0.941 227 K CB -0.113 32.238 32.500 -0.249 0.000 0.719 227 K HN 0.152 nan 8.250 nan 0.000 0.440 228 I N 2.045 122.328 120.570 -0.479 0.000 2.493 228 I HA -0.194 3.966 4.170 -0.017 0.000 0.254 228 I C 2.102 178.083 176.117 -0.227 0.000 1.160 228 I CA 1.253 62.275 61.300 -0.462 0.000 1.445 228 I CB -0.110 37.441 38.000 -0.749 0.000 1.086 228 I HN 0.091 nan 8.210 nan 0.000 0.433 229 E N 1.036 121.134 120.200 -0.171 0.000 2.160 229 E HA -0.239 4.101 4.350 -0.017 0.000 0.195 229 E C 1.925 178.476 176.600 -0.082 0.000 0.991 229 E CA 1.562 57.904 56.400 -0.095 0.000 0.810 229 E CB -0.159 29.499 29.700 -0.070 0.000 0.742 229 E HN 0.447 nan 8.360 nan 0.000 0.466 230 K N -0.468 119.876 120.400 -0.095 0.000 2.486 230 K HA 0.073 4.383 4.320 -0.017 0.000 0.194 230 K C -0.228 176.332 176.600 -0.067 0.000 1.033 230 K CA 0.194 56.438 56.287 -0.072 0.000 1.004 230 K CB 0.563 33.021 32.500 -0.071 0.000 0.798 230 K HN -0.023 nan 8.250 nan 0.000 0.495 231 V N 3.049 122.914 119.914 -0.080 0.000 2.356 231 V HA -0.007 4.103 4.120 -0.017 0.000 0.258 231 V C 0.447 176.515 176.094 -0.044 0.000 1.065 231 V CA 0.061 62.321 62.300 -0.065 0.000 0.935 231 V CB 0.890 32.664 31.823 -0.082 0.000 1.061 231 V HN 0.129 nan 8.190 nan 0.000 0.484 232 D N 2.546 122.926 120.400 -0.033 0.000 2.312 232 D HA -0.088 4.542 4.640 -0.017 0.000 0.211 232 D C 2.122 178.412 176.300 -0.017 0.000 0.964 232 D CA 1.389 55.375 54.000 -0.023 0.000 0.877 232 D CB 0.204 40.992 40.800 -0.020 0.000 0.924 232 D HN 0.693 nan 8.370 nan 0.000 0.515 233 S N -0.568 115.122 115.700 -0.016 0.000 2.607 233 S HA 0.068 4.528 4.470 -0.017 0.000 0.224 233 S C 0.782 175.378 174.600 -0.006 0.000 0.969 233 S CA -0.099 58.096 58.200 -0.009 0.000 0.927 233 S CB -0.049 63.147 63.200 -0.007 0.000 0.772 233 S HN 0.083 nan 8.310 nan 0.000 0.533 234 L N 2.443 123.660 121.223 -0.010 0.000 2.346 234 L HA 0.456 4.786 4.340 -0.017 0.000 0.276 234 L C 0.623 177.491 176.870 -0.004 0.000 1.006 234 L CA -0.812 54.026 54.840 -0.003 0.000 0.817 234 L CB 1.987 44.043 42.059 -0.004 0.000 1.272 234 L HN 0.162 nan 8.230 nan 0.000 0.421 235 T N -1.964 112.592 114.554 0.002 0.000 2.802 235 T HA 0.036 4.376 4.350 -0.017 0.000 0.305 235 T C 1.130 175.832 174.700 0.004 0.000 1.053 235 T CA -0.279 61.822 62.100 0.002 0.000 1.058 235 T CB 0.942 69.813 68.868 0.005 0.000 0.988 235 T HN 0.643 nan 8.240 nan 0.000 0.539 236 T N 0.943 115.499 114.554 0.002 0.000 2.788 236 T HA -0.087 4.253 4.350 -0.017 0.000 0.268 236 T C 1.914 176.621 174.700 0.012 0.000 1.044 236 T CA 1.253 63.356 62.100 0.005 0.000 1.139 236 T CB -0.253 68.617 68.868 0.002 0.000 0.867 236 T HN 0.658 nan 8.240 nan 0.000 0.454 237 E N 1.398 121.605 120.200 0.012 0.000 2.110 237 E HA -0.120 4.220 4.350 -0.017 0.000 0.193 237 E C 2.340 178.954 176.600 0.023 0.000 0.988 237 E CA 1.010 57.419 56.400 0.016 0.000 0.804 237 E CB -0.215 29.492 29.700 0.012 0.000 0.745 237 E HN 0.620 nan 8.360 nan 0.000 0.458 238 Q N 0.525 120.339 119.800 0.023 0.000 2.119 238 Q HA -0.091 4.239 4.340 -0.017 0.000 0.201 238 Q C 2.120 178.151 176.000 0.051 0.000 0.972 238 Q CA 1.014 56.836 55.803 0.032 0.000 0.847 238 Q CB -0.019 28.735 28.738 0.026 0.000 0.903 238 Q HN 0.170 nan 8.270 nan 0.000 0.433 239 K N 0.605 121.031 120.400 0.044 0.000 2.057 239 K HA -0.193 4.117 4.320 -0.017 0.000 0.207 239 K C 2.121 178.779 176.600 0.096 0.000 1.049 239 K CA 1.371 57.696 56.287 0.064 0.000 0.931 239 K CB -0.029 32.484 32.500 0.021 0.000 0.714 239 K HN 0.225 nan 8.250 nan 0.000 0.440 240 Q N 0.185 120.022 119.800 0.062 0.000 2.084 240 Q HA -0.149 4.181 4.340 -0.017 0.000 0.202 240 Q C 2.316 178.349 176.000 0.056 0.000 0.978 240 Q CA 1.585 57.422 55.803 0.057 0.000 0.844 240 Q CB -0.143 28.614 28.738 0.033 0.000 0.898 240 Q HN 0.213 nan 8.270 nan 0.000 0.426 241 S N 0.510 116.238 115.700 0.048 0.000 2.368 241 S HA -0.116 4.344 4.470 -0.017 0.000 0.225 241 S C 1.900 176.524 174.600 0.039 0.000 1.030 241 S CA 0.868 59.088 58.200 0.034 0.000 0.999 241 S CB -0.148 63.070 63.200 0.029 0.000 0.844 241 S HN 0.288 nan 8.310 nan 0.000 0.459 242 L N 0.750 122.025 121.223 0.087 0.000 2.093 242 L HA -0.037 4.293 4.340 -0.017 0.000 0.208 242 L C 2.377 179.247 176.870 0.000 0.000 1.085 242 L CA 1.150 56.050 54.840 0.099 0.000 0.755 242 L CB -0.499 41.728 42.059 0.281 0.000 0.904 242 L HN 0.351 nan 8.230 nan 0.000 0.435 243 I N -0.594 120.057 120.570 0.135 0.000 2.226 243 I HA -0.288 3.872 4.170 -0.017 0.000 0.245 243 I C 2.477 178.570 176.117 -0.041 0.000 1.100 243 I CA 1.529 62.874 61.300 0.074 0.000 1.374 243 I CB -0.542 37.564 38.000 0.176 0.000 1.057 243 I HN 0.252 nan 8.210 nan 0.000 0.413 244 T N 0.055 114.598 114.554 -0.018 0.000 2.720 244 T HA -0.244 4.096 4.350 -0.017 0.000 0.268 244 T C 1.864 176.518 174.700 -0.076 0.000 1.037 244 T CA 1.354 63.430 62.100 -0.040 0.000 1.144 244 T CB -0.265 68.591 68.868 -0.020 0.000 0.864 244 T HN 0.423 nan 8.240 nan 0.000 0.444 245 Q N 0.103 119.849 119.800 -0.089 0.000 2.124 245 Q HA -0.060 4.270 4.340 -0.017 0.000 0.202 245 Q C 2.558 178.455 176.000 -0.172 0.000 0.977 245 Q CA 1.040 56.776 55.803 -0.110 0.000 0.850 245 Q CB -0.304 28.380 28.738 -0.091 0.000 0.901 245 Q HN 0.356 nan 8.270 nan 0.000 0.429 246 V N 0.907 120.666 119.914 -0.258 0.000 2.307 246 V HA -0.254 3.856 4.120 -0.017 0.000 0.245 246 V C 2.106 178.077 176.094 -0.205 0.000 1.045 246 V CA 1.537 63.655 62.300 -0.303 0.000 1.024 246 V CB -0.407 31.118 31.823 -0.496 0.000 0.651 246 V HN 0.346 nan 8.190 nan 0.000 0.449 247 I N 0.520 121.000 120.570 -0.150 0.000 2.208 247 I HA -0.269 3.891 4.170 -0.017 0.000 0.245 247 I C 2.665 178.692 176.117 -0.149 0.000 1.097 247 I CA 1.534 62.757 61.300 -0.128 0.000 1.363 247 I CB -0.605 37.342 38.000 -0.088 0.000 1.051 247 I HN 0.294 nan 8.210 nan 0.000 0.413 248 A N 0.769 123.512 122.820 -0.128 0.000 1.883 248 A HA -0.205 4.105 4.320 -0.017 0.000 0.217 248 A C 2.307 179.813 177.584 -0.130 0.000 1.186 248 A CA 1.544 53.512 52.037 -0.114 0.000 0.624 248 A CB -0.359 18.589 19.000 -0.086 0.000 0.822 248 A HN 0.208 nan 8.150 nan 0.000 0.444 249 K N -0.216 120.090 120.400 -0.156 0.000 2.057 249 K HA -0.058 4.252 4.320 -0.017 0.000 0.207 249 K C 2.013 178.490 176.600 -0.206 0.000 1.049 249 K CA 1.308 57.490 56.287 -0.175 0.000 0.931 249 K CB -1.024 31.340 32.500 -0.226 0.000 0.714 249 K HN 0.362 nan 8.250 nan 0.000 0.440 250 V N 1.132 120.897 119.914 -0.248 0.000 2.295 250 V HA -0.212 3.898 4.120 -0.017 0.000 0.246 250 V C 2.631 178.569 176.094 -0.259 0.000 1.049 250 V CA 2.099 64.241 62.300 -0.264 0.000 1.024 250 V CB -0.505 31.160 31.823 -0.262 0.000 0.648 250 V HN 0.366 nan 8.190 nan 0.000 0.447 251 S N -0.873 114.650 115.700 -0.295 0.000 2.368 251 S HA -0.225 4.235 4.470 -0.017 0.000 0.224 251 S C 1.985 176.515 174.600 -0.117 0.000 1.029 251 S CA 1.832 59.850 58.200 -0.303 0.000 0.988 251 S CB -0.112 62.949 63.200 -0.232 0.000 0.838 251 S HN 0.715 nan 8.310 nan 0.000 0.462 252 Q N -0.620 119.132 119.800 -0.080 0.000 2.302 252 Q HA 0.159 4.489 4.340 -0.017 0.000 0.202 252 Q C 1.826 177.837 176.000 0.019 0.000 0.936 252 Q CA 0.895 56.684 55.803 -0.023 0.000 0.886 252 Q CB 0.370 29.088 28.738 -0.033 0.000 0.986 252 Q HN 0.456 nan 8.270 nan 0.000 0.487 253 V N -1.355 118.566 119.914 0.012 0.000 2.948 253 V HA -0.038 4.072 4.120 -0.017 0.000 0.234 253 V C 1.884 178.057 176.094 0.131 0.000 1.205 253 V CA 0.386 62.722 62.300 0.059 0.000 1.234 253 V CB 0.093 31.934 31.823 0.030 0.000 1.020 253 V HN 0.013 nan 8.190 nan 0.000 0.491 254 V N -0.458 119.499 119.914 0.071 0.000 2.295 254 V HA -0.253 3.857 4.120 -0.017 0.000 0.246 254 V C 2.311 178.633 176.094 0.381 0.000 1.049 254 V CA 2.245 64.649 62.300 0.173 0.000 1.024 254 V CB -0.743 31.040 31.823 -0.067 0.000 0.648 254 V HN 0.496 nan 8.190 nan 0.000 0.447 255 Y N 0.419 120.760 120.300 0.069 0.000 2.114 255 Y HA -0.096 4.444 4.550 -0.017 0.000 0.284 255 Y C 0.255 176.244 175.900 0.150 0.000 1.143 255 Y CA 1.464 59.625 58.100 0.101 0.000 1.135 255 Y CB -2.132 36.345 38.460 0.028 0.000 0.980 255 Y HN 0.344 nan 8.280 nan 0.000 0.499 256 P HA -0.147 nan 4.420 nan 0.000 0.218 256 P C 1.336 178.734 177.300 0.163 0.000 1.149 256 P CA 2.137 65.340 63.100 0.172 0.000 0.817 256 P CB -0.137 31.641 31.700 0.130 0.000 0.785 257 A N -1.300 121.651 122.820 0.218 0.000 1.858 257 A HA -0.226 4.084 4.320 -0.017 0.000 0.216 257 A C 2.030 179.687 177.584 0.121 0.000 1.190 257 A CA 1.502 53.652 52.037 0.187 0.000 0.617 257 A CB -1.934 17.242 19.000 0.293 0.000 0.827 257 A HN 0.104 nan 8.150 nan 0.000 0.443 258 Y N 0.232 120.579 120.300 0.078 0.000 2.224 258 Y HA -0.211 4.329 4.550 -0.017 0.000 0.289 258 Y C 2.755 178.651 175.900 -0.007 0.000 1.146 258 Y CA 1.779 59.883 58.100 0.006 0.000 1.182 258 Y CB -0.551 37.892 38.460 -0.028 0.000 0.983 258 Y HN 0.437 nan 8.280 nan 0.000 0.524 259 Q N -1.122 118.762 119.800 0.140 0.000 2.084 259 Q HA -0.202 4.128 4.340 -0.017 0.000 0.202 259 Q C 2.576 178.602 176.000 0.043 0.000 0.978 259 Q CA 1.669 57.515 55.803 0.072 0.000 0.844 259 Q CB -0.379 28.402 28.738 0.072 0.000 0.898 259 Q HN 0.302 nan 8.270 nan 0.000 0.426 260 S N -0.190 115.535 115.700 0.041 0.000 2.359 260 S HA -0.162 4.298 4.470 -0.017 0.000 0.223 260 S C 1.967 176.562 174.600 -0.009 0.000 1.039 260 S CA 1.423 59.634 58.200 0.018 0.000 1.042 260 S CB -0.178 63.033 63.200 0.018 0.000 0.915 260 S HN 0.226 nan 8.310 nan 0.000 0.439 261 V N 1.667 121.555 119.914 -0.043 0.000 2.427 261 V HA -0.121 3.989 4.120 -0.017 0.000 0.248 261 V C 2.437 178.509 176.094 -0.037 0.000 1.051 261 V CA 2.002 64.261 62.300 -0.069 0.000 1.048 261 V CB -0.769 30.958 31.823 -0.159 0.000 0.666 261 V HN 0.557 nan 8.190 nan 0.000 0.456 262 E N 0.739 120.929 120.200 -0.016 0.000 2.070 262 E HA -0.330 4.010 4.350 -0.017 0.000 0.197 262 E C 2.322 178.923 176.600 0.002 0.000 1.004 262 E CA 2.022 58.424 56.400 0.005 0.000 0.805 262 E CB -0.102 29.610 29.700 0.021 0.000 0.744 262 E HN 0.602 nan 8.360 nan 0.000 0.451 263 K N -0.022 120.381 120.400 0.004 0.000 2.025 263 K HA -0.133 4.177 4.320 -0.017 0.000 0.207 263 K C 2.082 178.682 176.600 0.000 0.000 1.049 263 K CA 1.172 57.462 56.287 0.005 0.000 0.933 263 K CB -0.211 32.294 32.500 0.010 0.000 0.714 263 K HN 0.153 nan 8.250 nan 0.000 0.438 264 A N 0.680 123.498 122.820 -0.003 0.000 1.883 264 A HA -0.163 4.147 4.320 -0.017 0.000 0.217 264 A C 2.193 179.774 177.584 -0.005 0.000 1.186 264 A CA 2.197 54.232 52.037 -0.003 0.000 0.624 264 A CB -0.750 18.246 19.000 -0.006 0.000 0.822 264 A HN 0.390 nan 8.150 nan 0.000 0.444 265 S N -0.417 115.277 115.700 -0.010 0.000 2.368 265 S HA -0.171 4.289 4.470 -0.017 0.000 0.225 265 S C 1.835 176.427 174.600 -0.014 0.000 1.030 265 S CA 1.485 59.677 58.200 -0.013 0.000 0.999 265 S CB -0.345 62.847 63.200 -0.013 0.000 0.844 265 S HN 0.699 nan 8.310 nan 0.000 0.459 266 E N 0.839 121.033 120.200 -0.010 0.000 2.097 266 E HA -0.199 4.141 4.350 -0.017 0.000 0.196 266 E C 2.303 178.896 176.600 -0.011 0.000 1.000 266 E CA 1.116 57.510 56.400 -0.010 0.000 0.804 266 E CB -0.130 29.567 29.700 -0.005 0.000 0.740 266 E HN 0.331 nan 8.360 nan 0.000 0.454 267 Q N 0.037 119.833 119.800 -0.007 0.000 2.197 267 Q HA -0.161 4.169 4.340 -0.017 0.000 0.207 267 Q C 2.039 178.034 176.000 -0.009 0.000 0.984 267 Q CA 0.966 56.766 55.803 -0.005 0.000 0.869 267 Q CB -0.245 28.493 28.738 -0.001 0.000 0.906 267 Q HN 0.223 nan 8.270 nan 0.000 0.426 268 L N -0.178 121.038 121.223 -0.012 0.000 2.492 268 L HA -0.029 4.301 4.340 -0.017 0.000 0.223 268 L C 1.807 178.658 176.870 -0.032 0.000 1.132 268 L CA 0.550 55.379 54.840 -0.018 0.000 0.850 268 L CB -0.690 41.359 42.059 -0.017 0.000 0.966 268 L HN 0.152 nan 8.230 nan 0.000 0.454 269 L N -0.439 120.763 121.223 -0.034 0.000 2.081 269 L HA -0.228 4.102 4.340 -0.017 0.000 0.212 269 L C 2.705 179.550 176.870 -0.041 0.000 1.080 269 L CA 2.082 56.897 54.840 -0.043 0.000 0.754 269 L CB -1.052 40.986 42.059 -0.035 0.000 0.893 269 L HN 0.505 nan 8.230 nan 0.000 0.433 270 S N -2.040 113.642 115.700 -0.030 0.000 2.453 270 S HA -0.113 4.347 4.470 -0.017 0.000 0.231 270 S C 1.647 176.229 174.600 -0.031 0.000 1.005 270 S CA 0.871 59.055 58.200 -0.027 0.000 0.949 270 S CB -0.320 62.869 63.200 -0.018 0.000 0.774 270 S HN 0.576 nan 8.310 nan 0.000 0.510 271 E N 1.432 121.613 120.200 -0.033 0.000 2.400 271 E HA 0.382 4.722 4.350 -0.017 0.000 0.195 271 E C 0.851 177.416 176.600 -0.058 0.000 1.012 271 E CA 0.222 56.601 56.400 -0.035 0.000 0.875 271 E CB 0.046 29.733 29.700 -0.022 0.000 0.859 271 E HN 0.653 nan 8.360 nan 0.000 0.498 272 A N 1.804 124.580 122.820 -0.073 0.000 2.483 272 A HA 0.125 4.435 4.320 -0.017 0.000 0.238 272 A C 0.140 177.653 177.584 -0.119 0.000 1.070 272 A CA 0.083 52.052 52.037 -0.113 0.000 0.770 272 A CB 0.286 19.212 19.000 -0.124 0.000 1.008 272 A HN 0.085 nan 8.150 nan 0.000 0.497 273 R N 0.951 121.355 120.500 -0.161 0.000 2.500 273 R HA 0.295 4.625 4.340 -0.017 0.000 0.277 273 R C 1.325 177.544 176.300 -0.135 0.000 1.026 273 R CA 0.316 56.326 56.100 -0.151 0.000 1.058 273 R CB 1.046 31.223 30.300 -0.204 0.000 1.078 273 R HN 0.924 nan 8.270 nan 0.000 0.509 274 S N 0.508 116.151 115.700 -0.096 0.000 2.436 274 S HA -0.065 4.396 4.470 -0.017 0.000 0.228 274 S C 0.262 174.822 174.600 -0.066 0.000 1.014 274 S CA 0.276 58.435 58.200 -0.068 0.000 0.950 274 S CB -0.027 63.154 63.200 -0.033 0.000 0.784 274 S HN 0.527 nan 8.310 nan 0.000 0.504 275 E N 1.923 122.065 120.200 -0.097 0.000 2.413 275 E HA 0.270 4.610 4.350 -0.017 0.000 0.263 275 E C 0.718 177.229 176.600 -0.148 0.000 1.015 275 E CA 0.246 56.587 56.400 -0.098 0.000 0.916 275 E CB 0.660 30.182 29.700 -0.298 0.000 0.947 275 E HN 0.241 nan 8.360 nan 0.000 0.440 276 S N 0.964 116.638 115.700 -0.043 0.000 2.439 276 S HA 0.119 4.579 4.470 -0.017 0.000 0.224 276 S C 0.881 175.431 174.600 -0.084 0.000 1.029 276 S CA 0.345 58.515 58.200 -0.050 0.000 0.946 276 S CB 0.376 63.588 63.200 0.020 0.000 0.797 276 S HN 0.590 nan 8.310 nan 0.000 0.504 277 G N 0.512 109.263 108.800 -0.082 0.000 2.488 277 G HA2 0.531 4.481 3.960 -0.017 0.000 0.318 277 G HA3 0.531 4.481 3.960 -0.017 0.000 0.318 277 G C 0.361 175.125 174.900 -0.227 0.000 1.188 277 G CA -0.633 44.438 45.100 -0.049 0.000 0.944 277 G HN 0.131 nan 8.290 nan 0.000 0.495 278 I N 0.691 121.375 120.570 0.191 0.000 2.756 278 I HA -0.026 4.134 4.170 -0.017 0.000 0.262 278 I C 2.380 178.417 176.117 -0.132 0.000 1.225 278 I CA 0.364 61.626 61.300 -0.063 0.000 1.472 278 I CB -0.198 37.762 38.000 -0.065 0.000 1.094 278 I HN 0.759 nan 8.210 nan 0.000 0.454 279 W N 0.511 121.829 121.300 0.030 0.000 2.341 279 W HA -0.147 4.503 4.660 -0.017 0.000 0.283 279 W C 1.744 178.276 176.519 0.022 0.000 1.215 279 W CA 0.844 58.211 57.345 0.036 0.000 1.211 279 W CB -1.344 28.126 29.460 0.017 0.000 1.131 279 W HN 0.288 nan 8.180 nan 0.000 0.552 280 A N 0.937 123.155 122.820 -1.003 0.000 2.208 280 A HA -0.010 4.300 4.320 -0.017 0.000 0.209 280 A C 1.404 178.733 177.584 -0.425 0.000 1.161 280 A CA 0.381 51.839 52.037 -0.965 0.000 0.782 280 A CB -0.391 17.800 19.000 -1.347 0.000 0.816 280 A HN 0.188 nan 8.150 nan 0.000 0.477 281 Q N 0.667 120.253 119.800 -0.357 0.000 2.312 281 Q HA 0.267 4.598 4.340 -0.017 0.000 0.236 281 Q C -2.528 173.480 176.000 0.013 0.000 0.965 281 Q CA -2.308 53.325 55.803 -0.282 0.000 0.894 281 Q CB 0.051 28.379 28.738 -0.684 0.000 1.225 281 Q HN 0.210 nan 8.270 nan 0.000 0.478 282 P HA -0.032 nan 4.420 nan 0.000 0.267 282 P C -0.308 177.199 177.300 0.345 0.000 1.209 282 P CA 0.167 63.395 63.100 0.213 0.000 0.763 282 P CB 0.461 32.277 31.700 0.193 0.000 0.816 283 K N 1.879 122.451 120.400 0.287 0.000 3.160 283 K HA -0.156 4.154 4.320 -0.017 0.000 0.280 283 K C 1.365 178.285 176.600 0.534 0.000 1.154 283 K CA 1.103 57.611 56.287 0.369 0.000 0.822 283 K CB -2.595 30.091 32.500 0.310 0.000 1.239 283 K HN 0.771 nan 8.250 nan 0.000 0.489 284 G N 1.023 110.063 108.800 0.399 0.000 2.432 284 G HA2 -0.269 3.681 3.960 -0.017 0.000 0.219 284 G HA3 -0.269 3.681 3.960 -0.017 0.000 0.219 284 G C 1.468 176.603 174.900 0.391 0.000 1.135 284 G CA 1.258 46.569 45.100 0.353 0.000 0.767 284 G HN 0.527 nan 8.290 nan 0.000 0.550 285 S N 0.061 115.974 115.700 0.355 0.000 2.406 285 S HA -0.036 4.424 4.470 -0.017 0.000 0.228 285 S C 2.264 177.047 174.600 0.306 0.000 1.020 285 S CA 1.236 59.635 58.200 0.332 0.000 0.965 285 S CB -0.270 63.088 63.200 0.262 0.000 0.798 285 S HN 0.079 nan 8.310 nan 0.000 0.488 286 V N 0.827 120.932 119.914 0.319 0.000 2.358 286 V HA -0.101 4.009 4.120 -0.017 0.000 0.246 286 V C 2.227 178.439 176.094 0.198 0.000 1.047 286 V CA 1.897 64.366 62.300 0.281 0.000 1.035 286 V CB -1.112 30.928 31.823 0.361 0.000 0.658 286 V HN 0.624 nan 8.190 nan 0.000 0.452 287 Y N -0.079 120.269 120.300 0.081 0.000 2.114 287 Y HA -0.363 4.176 4.550 -0.017 0.000 0.282 287 Y C 2.489 178.332 175.900 -0.095 0.000 1.165 287 Y CA 2.354 60.270 58.100 -0.306 0.000 1.148 287 Y CB -0.435 37.878 38.460 -0.246 0.000 0.972 287 Y HN 0.331 nan 8.280 nan 0.000 0.504 288 Y N 0.885 121.255 120.300 0.116 0.000 2.200 288 Y HA -0.234 4.306 4.550 -0.017 0.000 0.290 288 Y C 2.575 178.438 175.900 -0.061 0.000 1.137 288 Y CA 2.051 60.178 58.100 0.044 0.000 1.163 288 Y CB -0.773 37.769 38.460 0.136 0.000 0.988 288 Y HN 0.278 nan 8.280 nan 0.000 0.518 289 Q N 0.479 120.244 119.800 -0.058 0.000 2.124 289 Q HA -0.202 4.128 4.340 -0.017 0.000 0.202 289 Q C 1.835 177.700 176.000 -0.224 0.000 0.977 289 Q CA 2.150 57.861 55.803 -0.152 0.000 0.850 289 Q CB -0.537 28.184 28.738 -0.030 0.000 0.901 289 Q HN 0.593 nan 8.270 nan 0.000 0.429 290 D N -1.031 119.214 120.400 -0.258 0.000 2.117 290 D HA -0.119 4.511 4.640 -0.017 0.000 0.197 290 D C 1.621 177.687 176.300 -0.390 0.000 0.987 290 D CA 1.442 55.247 54.000 -0.325 0.000 0.829 290 D CB -0.227 40.323 40.800 -0.417 0.000 0.961 290 D HN 0.351 nan 8.370 nan 0.000 0.460 291 A N 0.140 122.663 122.820 -0.495 0.000 1.933 291 A HA -0.116 4.194 4.320 -0.017 0.000 0.218 291 A C 2.378 179.766 177.584 -0.327 0.000 1.175 291 A CA 1.137 52.928 52.037 -0.409 0.000 0.628 291 A CB -0.791 18.017 19.000 -0.319 0.000 0.814 291 A HN 0.391 nan 8.150 nan 0.000 0.444 292 I N -0.645 119.679 120.570 -0.410 0.000 2.226 292 I HA -0.276 3.884 4.170 -0.017 0.000 0.245 292 I C 2.542 178.541 176.117 -0.197 0.000 1.100 292 I CA 1.922 63.028 61.300 -0.324 0.000 1.374 292 I CB -0.248 37.524 38.000 -0.380 0.000 1.057 292 I HN 0.391 nan 8.210 nan 0.000 0.413 293 K N 0.456 120.744 120.400 -0.187 0.000 2.026 293 K HA -0.217 4.093 4.320 -0.017 0.000 0.208 293 K C 2.256 178.793 176.600 -0.104 0.000 1.048 293 K CA 1.368 57.579 56.287 -0.127 0.000 0.929 293 K CB 0.098 32.527 32.500 -0.118 0.000 0.713 293 K HN 0.182 nan 8.250 nan 0.000 0.439 294 Q N 0.039 119.764 119.800 -0.124 0.000 2.137 294 Q HA -0.001 4.329 4.340 -0.017 0.000 0.198 294 Q C 2.097 178.065 176.000 -0.054 0.000 0.960 294 Q CA 1.124 56.892 55.803 -0.058 0.000 0.847 294 Q CB 0.204 28.909 28.738 -0.054 0.000 0.915 294 Q HN 0.379 nan 8.270 nan 0.000 0.448 295 L N -1.543 119.622 121.223 -0.097 0.000 2.537 295 L HA 0.238 4.568 4.340 -0.017 0.000 0.224 295 L C 1.860 178.697 176.870 -0.056 0.000 1.065 295 L CA 0.643 55.429 54.840 -0.089 0.000 0.860 295 L CB 0.021 42.012 42.059 -0.115 0.000 1.086 295 L HN 0.148 nan 8.230 nan 0.000 0.482 296 G N -1.871 106.889 108.800 -0.067 0.000 2.939 296 G HA2 -0.114 3.836 3.960 -0.017 0.000 0.210 296 G HA3 -0.114 3.836 3.960 -0.017 0.000 0.210 296 G C 0.348 175.229 174.900 -0.032 0.000 1.160 296 G CA 0.006 45.082 45.100 -0.039 0.000 0.770 296 G HN 0.328 nan 8.290 nan 0.000 0.543 297 D N 0.015 120.390 120.400 -0.043 0.000 2.697 297 D HA -0.176 4.454 4.640 -0.017 0.000 0.235 297 D C -0.000 176.276 176.300 -0.039 0.000 1.167 297 D CA 1.119 55.097 54.000 -0.037 0.000 0.656 297 D CB -1.256 39.532 40.800 -0.020 0.000 1.025 297 D HN 0.304 nan 8.370 nan 0.000 0.419 298 S N -0.587 115.081 115.700 -0.053 0.000 2.569 298 S HA 0.511 4.971 4.470 -0.017 0.000 0.280 298 S C 0.353 174.917 174.600 -0.059 0.000 1.111 298 S CA -0.585 57.587 58.200 -0.047 0.000 0.887 298 S CB 1.609 64.785 63.200 -0.040 0.000 1.095 298 S HN 0.137 nan 8.310 nan 0.000 0.476 299 E N 2.001 122.175 120.200 -0.043 0.000 2.538 299 E HA 0.250 4.590 4.350 -0.017 0.000 0.207 299 E C -0.262 176.319 176.600 -0.032 0.000 1.002 299 E CA -0.113 56.262 56.400 -0.042 0.000 0.952 299 E CB 0.349 30.031 29.700 -0.031 0.000 1.031 299 E HN 0.529 nan 8.360 nan 0.000 0.476 300 L N 2.001 123.207 121.223 -0.028 0.000 2.467 300 L HA 0.040 4.370 4.340 -0.017 0.000 0.270 300 L C 1.051 177.909 176.870 -0.019 0.000 1.205 300 L CA -0.171 54.659 54.840 -0.015 0.000 0.828 300 L CB 0.387 42.442 42.059 -0.007 0.000 1.101 300 L HN 0.071 nan 8.230 nan 0.000 0.479 301 S N 1.321 117.021 115.700 -0.000 0.000 2.593 301 S HA 0.199 4.659 4.470 -0.017 0.000 0.269 301 S C -1.880 172.737 174.600 0.029 0.000 1.334 301 S CA -1.112 57.095 58.200 0.013 0.000 1.015 301 S CB 1.088 64.302 63.200 0.023 0.000 0.912 301 S HN 0.402 nan 8.310 nan 0.000 0.541 302 P HA -0.056 nan 4.420 nan 0.000 0.216 302 P C 1.478 178.829 177.300 0.085 0.000 1.150 302 P CA 1.418 64.588 63.100 0.117 0.000 0.837 302 P CB -0.359 31.467 31.700 0.210 0.000 0.786 303 T N -0.389 114.194 114.554 0.048 0.000 2.684 303 T HA -0.222 4.118 4.350 -0.017 0.000 0.267 303 T C 1.851 176.595 174.700 0.074 0.000 1.036 303 T CA 1.477 63.602 62.100 0.041 0.000 1.148 303 T CB -0.759 68.119 68.868 0.018 0.000 0.863 303 T HN 0.316 nan 8.240 nan 0.000 0.436 304 Q N 0.081 119.914 119.800 0.054 0.000 2.079 304 Q HA 0.023 4.353 4.340 -0.017 0.000 0.200 304 Q C 2.383 178.415 176.000 0.054 0.000 0.974 304 Q CA 1.134 56.966 55.803 0.047 0.000 0.840 304 Q CB -0.339 28.416 28.738 0.029 0.000 0.898 304 Q HN 0.527 nan 8.270 nan 0.000 0.430 305 I N -0.066 120.539 120.570 0.058 0.000 2.252 305 I HA -0.299 3.861 4.170 -0.017 0.000 0.245 305 I C 2.537 178.692 176.117 0.064 0.000 1.102 305 I CA 1.110 62.441 61.300 0.051 0.000 1.385 305 I CB -0.492 37.535 38.000 0.045 0.000 1.064 305 I HN 0.357 nan 8.210 nan 0.000 0.414 306 H N 0.777 119.837 119.070 -0.016 0.000 2.353 306 H HA -0.259 4.287 4.556 -0.016 0.000 0.298 306 H C 2.237 177.552 175.328 -0.021 0.000 1.103 306 H CA 2.225 58.245 56.048 -0.045 0.000 1.293 306 H CB 0.221 29.946 29.762 -0.062 0.000 1.372 306 H HN 0.276 nan 8.280 nan 0.000 0.501 307 Q N 0.749 120.604 119.800 0.092 0.000 2.119 307 Q HA -0.039 4.291 4.340 -0.017 0.000 0.201 307 Q C 2.490 178.493 176.000 0.006 0.000 0.972 307 Q CA 1.145 56.975 55.803 0.045 0.000 0.847 307 Q CB -0.262 28.514 28.738 0.064 0.000 0.903 307 Q HN 0.558 nan 8.270 nan 0.000 0.433 308 I N -0.458 120.118 120.570 0.009 0.000 2.226 308 I HA -0.201 3.959 4.170 -0.017 0.000 0.245 308 I C 2.109 178.217 176.117 -0.015 0.000 1.100 308 I CA 1.106 62.408 61.300 0.003 0.000 1.374 308 I CB -0.679 37.328 38.000 0.012 0.000 1.057 308 I HN 0.375 nan 8.210 nan 0.000 0.413 309 G N 1.212 109.985 108.800 -0.046 0.000 2.459 309 G HA2 -0.226 3.724 3.960 -0.017 0.000 0.217 309 G HA3 -0.226 3.724 3.960 -0.017 0.000 0.217 309 G C 1.695 176.557 174.900 -0.063 0.000 1.183 309 G CA 0.665 45.721 45.100 -0.073 0.000 0.776 309 G HN 0.268 nan 8.290 nan 0.000 0.552 310 L N 0.530 121.695 121.223 -0.097 0.000 2.042 310 L HA -0.088 4.242 4.340 -0.017 0.000 0.210 310 L C 2.582 179.455 176.870 0.006 0.000 1.076 310 L CA 1.368 56.188 54.840 -0.033 0.000 0.749 310 L CB -0.411 41.628 42.059 -0.033 0.000 0.893 310 L HN 0.130 nan 8.230 nan 0.000 0.432 311 D N -0.407 119.994 120.400 0.001 0.000 2.144 311 D HA -0.156 4.474 4.640 -0.017 0.000 0.200 311 D C 2.191 178.494 176.300 0.005 0.000 0.978 311 D CA 0.901 54.905 54.000 0.007 0.000 0.833 311 D CB -0.105 40.700 40.800 0.008 0.000 0.961 311 D HN 0.293 nan 8.370 nan 0.000 0.470 312 E N 0.538 120.740 120.200 0.003 0.000 2.106 312 E HA -0.076 4.264 4.350 -0.017 0.000 0.192 312 E C 2.421 179.024 176.600 0.004 0.000 0.984 312 E CA 0.226 56.628 56.400 0.004 0.000 0.806 312 E CB -0.147 29.558 29.700 0.008 0.000 0.750 312 E HN 0.144 nan 8.360 nan 0.000 0.458 313 V N 1.583 121.505 119.914 0.013 0.000 2.343 313 V HA -0.260 3.850 4.120 -0.017 0.000 0.247 313 V C 2.436 178.535 176.094 0.008 0.000 1.051 313 V CA 1.840 64.151 62.300 0.018 0.000 1.036 313 V CB -0.771 31.087 31.823 0.057 0.000 0.654 313 V HN 0.246 nan 8.190 nan 0.000 0.451 314 A N -0.133 122.695 122.820 0.014 0.000 1.898 314 A HA -0.241 4.069 4.320 -0.017 0.000 0.216 314 A C 2.413 179.994 177.584 -0.006 0.000 1.181 314 A CA 2.009 54.050 52.037 0.007 0.000 0.620 314 A CB -0.538 18.470 19.000 0.013 0.000 0.819 314 A HN 0.492 nan 8.150 nan 0.000 0.442 315 R N -0.293 120.202 120.500 -0.008 0.000 2.066 315 R HA -0.053 4.277 4.340 -0.017 0.000 0.232 315 R C 1.955 178.236 176.300 -0.031 0.000 1.131 315 R CA 1.789 57.878 56.100 -0.018 0.000 0.955 315 R CB -0.375 29.915 30.300 -0.017 0.000 0.851 315 R HN 0.525 nan 8.270 nan 0.000 0.432 316 I N 0.423 120.975 120.570 -0.030 0.000 2.252 316 I HA -0.213 3.947 4.170 -0.017 0.000 0.245 316 I C 2.360 178.446 176.117 -0.051 0.000 1.102 316 I CA 1.029 62.302 61.300 -0.046 0.000 1.385 316 I CB -0.221 37.758 38.000 -0.035 0.000 1.064 316 I HN 0.165 nan 8.210 nan 0.000 0.414 317 S N 0.859 116.536 115.700 -0.038 0.000 2.365 317 S HA -0.185 4.275 4.470 -0.017 0.000 0.225 317 S C 2.140 176.714 174.600 -0.043 0.000 1.039 317 S CA 1.637 59.813 58.200 -0.040 0.000 1.033 317 S CB -0.812 62.371 63.200 -0.029 0.000 0.887 317 S HN 0.662 nan 8.310 nan 0.000 0.447 318 G N 0.936 109.715 108.800 -0.036 0.000 2.422 318 G HA2 -0.146 3.804 3.960 -0.017 0.000 0.218 318 G HA3 -0.146 3.804 3.960 -0.017 0.000 0.218 318 G C 1.445 176.316 174.900 -0.048 0.000 1.146 318 G CA 1.013 46.091 45.100 -0.035 0.000 0.769 318 G HN 0.432 nan 8.290 nan 0.000 0.547 319 V N 1.092 120.969 119.914 -0.061 0.000 2.270 319 V HA -0.215 3.895 4.120 -0.017 0.000 0.245 319 V C 2.895 178.932 176.094 -0.096 0.000 1.043 319 V CA 2.164 64.415 62.300 -0.082 0.000 1.014 319 V CB -0.507 31.254 31.823 -0.104 0.000 0.645 319 V HN 0.362 nan 8.190 nan 0.000 0.447 320 M N 0.312 119.852 119.600 -0.100 0.000 2.106 320 M HA -0.244 4.227 4.480 -0.017 0.000 0.259 320 M C 2.185 178.431 176.300 -0.091 0.000 1.068 320 M CA 2.449 57.681 55.300 -0.113 0.000 1.100 320 M CB -0.807 31.729 32.600 -0.106 0.000 1.351 320 M HN 0.486 nan 8.290 nan 0.000 0.404 321 N N 0.413 119.075 118.700 -0.063 0.000 2.094 321 N HA -0.210 4.520 4.740 -0.017 0.000 0.191 321 N C 1.542 177.028 175.510 -0.039 0.000 1.023 321 N CA 1.606 54.632 53.050 -0.041 0.000 0.857 321 N CB -0.002 38.469 38.487 -0.028 0.000 1.013 321 N HN 0.250 nan 8.380 nan 0.000 0.426 322 E N 0.157 120.328 120.200 -0.049 0.000 2.077 322 E HA -0.128 4.212 4.350 -0.017 0.000 0.193 322 E C 2.179 178.745 176.600 -0.057 0.000 0.989 322 E CA 0.872 57.245 56.400 -0.046 0.000 0.800 322 E CB -0.275 29.395 29.700 -0.049 0.000 0.746 322 E HN 0.577 nan 8.360 nan 0.000 0.452 323 I N 0.798 121.315 120.570 -0.089 0.000 2.202 323 I HA -0.260 3.900 4.170 -0.017 0.000 0.242 323 I C 2.502 178.548 176.117 -0.117 0.000 1.091 323 I CA 0.727 61.953 61.300 -0.122 0.000 1.368 323 I CB -0.311 37.585 38.000 -0.172 0.000 1.058 323 I HN 0.021 nan 8.210 nan 0.000 0.410 324 L N 0.274 121.441 121.223 -0.092 0.000 2.013 324 L HA -0.264 4.066 4.340 -0.017 0.000 0.212 324 L C 2.576 179.489 176.870 0.071 0.000 1.073 324 L CA 1.573 56.399 54.840 -0.022 0.000 0.753 324 L CB -0.597 41.459 42.059 -0.006 0.000 0.890 324 L HN 0.252 nan 8.230 nan 0.000 0.432 325 L N -0.608 120.637 121.223 0.036 0.000 2.042 325 L HA -0.247 4.083 4.340 -0.017 0.000 0.210 325 L C 2.780 179.674 176.870 0.040 0.000 1.076 325 L CA 1.282 56.148 54.840 0.043 0.000 0.749 325 L CB -0.718 41.349 42.059 0.013 0.000 0.893 325 L HN 0.294 nan 8.230 nan 0.000 0.432 326 A N -1.169 121.657 122.820 0.010 0.000 2.067 326 A HA -0.165 4.145 4.320 -0.017 0.000 0.219 326 A C 2.080 179.680 177.584 0.027 0.000 1.158 326 A CA 1.075 53.114 52.037 0.003 0.000 0.661 326 A CB -0.197 18.786 19.000 -0.027 0.000 0.801 326 A HN 0.393 nan 8.150 nan 0.000 0.452 327 Q N -1.495 118.339 119.800 0.057 0.000 2.403 327 Q HA 0.175 4.505 4.340 -0.017 0.000 0.203 327 Q C 1.157 177.331 176.000 0.290 0.000 0.932 327 Q CA 0.788 56.691 55.803 0.168 0.000 0.945 327 Q CB 0.237 29.061 28.738 0.143 0.000 1.045 327 Q HN 0.978 nan 8.270 nan 0.000 0.511 328 G N 0.312 109.219 108.800 0.179 0.000 2.144 328 G HA2 -0.266 3.684 3.960 -0.017 0.000 0.218 328 G HA3 -0.266 3.684 3.960 -0.017 0.000 0.218 328 G C -0.430 174.429 174.900 -0.068 0.000 0.988 328 G CA -0.403 44.726 45.100 0.050 0.000 0.659 328 G HN 0.327 nan 8.290 nan 0.000 0.522 329 Y N 1.615 121.942 120.300 0.045 0.000 2.700 329 Y HA 0.474 5.010 4.550 -0.023 0.000 0.333 329 Y C 1.612 177.520 175.900 0.014 0.000 1.036 329 Y CA 0.345 58.469 58.100 0.040 0.000 1.287 329 Y CB 1.343 39.839 38.460 0.059 0.000 1.132 329 Y HN 0.260 nan 8.280 nan 0.000 0.510 330 T N -2.013 112.578 114.554 0.060 0.000 3.004 330 T HA 0.269 4.609 4.350 -0.017 0.000 0.266 330 T C 0.117 174.834 174.700 0.028 0.000 0.986 330 T CA -0.425 61.698 62.100 0.038 0.000 0.902 330 T CB 0.039 68.912 68.868 0.008 0.000 1.118 330 T HN 0.277 nan 8.240 nan 0.000 0.522 331 K N 1.700 122.119 120.400 0.032 0.000 2.206 331 K HA 0.653 4.963 4.320 -0.017 0.000 0.264 331 K C 0.466 177.088 176.600 0.037 0.000 0.967 331 K CA -0.514 55.787 56.287 0.024 0.000 0.844 331 K CB 1.671 34.177 32.500 0.010 0.000 1.099 331 K HN 0.395 nan 8.250 nan 0.000 0.441 332 G N 1.306 110.120 108.800 0.024 0.000 2.685 332 G HA2 -0.245 3.705 3.960 -0.017 0.000 0.387 332 G HA3 -0.245 3.705 3.960 -0.017 0.000 0.387 332 G C -0.114 174.797 174.900 0.017 0.000 1.324 332 G CA -0.545 44.568 45.100 0.021 0.000 0.878 332 G HN 0.788 nan 8.290 nan 0.000 0.527 333 T N -2.115 112.444 114.554 0.009 0.000 2.802 333 T HA 0.460 4.800 4.350 -0.017 0.000 0.305 333 T C 1.814 176.513 174.700 -0.002 0.000 1.053 333 T CA 0.471 62.569 62.100 -0.002 0.000 1.058 333 T CB 1.336 70.196 68.868 -0.012 0.000 0.988 333 T HN 1.482 nan 8.240 nan 0.000 0.539 334 V N 2.449 122.353 119.914 -0.016 0.000 2.324 334 V HA -0.098 4.012 4.120 -0.017 0.000 0.250 334 V C 2.916 178.993 176.094 -0.028 0.000 1.060 334 V CA 2.482 64.765 62.300 -0.027 0.000 1.042 334 V CB -1.636 30.163 31.823 -0.041 0.000 0.650 334 V HN 1.134 nan 8.190 nan 0.000 0.450 335 G N -0.844 107.941 108.800 -0.024 0.000 2.440 335 G HA2 -0.257 3.693 3.960 -0.017 0.000 0.218 335 G HA3 -0.257 3.693 3.960 -0.017 0.000 0.218 335 G C 1.462 176.364 174.900 0.002 0.000 1.154 335 G CA 0.943 46.035 45.100 -0.014 0.000 0.767 335 G HN 0.569 nan 8.290 nan 0.000 0.552 336 E N -0.048 120.157 120.200 0.007 0.000 2.085 336 E HA -0.094 4.246 4.350 -0.017 0.000 0.194 336 E C 2.756 179.379 176.600 0.038 0.000 0.994 336 E CA 0.673 57.088 56.400 0.024 0.000 0.801 336 E CB -0.080 29.635 29.700 0.026 0.000 0.743 336 E HN 0.333 nan 8.360 nan 0.000 0.453 337 R N -0.222 120.297 120.500 0.032 0.000 2.092 337 R HA -0.054 4.276 4.340 -0.017 0.000 0.231 337 R C 2.276 178.555 176.300 -0.035 0.000 1.119 337 R CA 1.110 57.239 56.100 0.048 0.000 0.970 337 R CB -0.043 30.292 30.300 0.059 0.000 0.864 337 R HN 0.170 nan 8.270 nan 0.000 0.440 338 M N 0.069 119.628 119.600 -0.069 0.000 2.175 338 M HA -0.104 4.366 4.480 -0.017 0.000 0.264 338 M C 2.296 178.599 176.300 0.006 0.000 1.063 338 M CA 1.271 56.504 55.300 -0.111 0.000 1.119 338 M CB -0.613 31.936 32.600 -0.084 0.000 1.377 338 M HN -0.015 nan 8.290 nan 0.000 0.415 339 V N 0.726 120.663 119.914 0.039 0.000 2.332 339 V HA -0.252 3.858 4.120 -0.017 0.000 0.248 339 V C 2.735 178.882 176.094 0.088 0.000 1.055 339 V CA 1.880 64.223 62.300 0.072 0.000 1.038 339 V CB -1.361 30.495 31.823 0.056 0.000 0.651 339 V HN 0.485 nan 8.190 nan 0.000 0.450 340 A N -0.349 122.522 122.820 0.084 0.000 1.902 340 A HA -0.158 4.152 4.320 -0.017 0.000 0.217 340 A C 2.211 179.881 177.584 0.144 0.000 1.181 340 A CA 1.794 53.904 52.037 0.121 0.000 0.623 340 A CB -0.527 18.576 19.000 0.170 0.000 0.818 340 A HN 0.507 nan 8.150 nan 0.000 0.443 341 L N -0.292 120.973 121.223 0.071 0.000 2.083 341 L HA -0.167 4.163 4.340 -0.017 0.000 0.209 341 L C 2.363 179.429 176.870 0.326 0.000 1.083 341 L CA 1.211 56.097 54.840 0.077 0.000 0.752 341 L CB -0.550 41.276 42.059 -0.388 0.000 0.899 341 L HN 0.407 nan 8.230 nan 0.000 0.433 342 N N 0.165 119.053 118.700 0.313 0.000 2.519 342 N HA -0.167 4.563 4.740 -0.017 0.000 0.186 342 N C 1.402 177.022 175.510 0.184 0.000 1.062 342 N CA 0.877 54.102 53.050 0.291 0.000 0.910 342 N CB 0.152 38.766 38.487 0.211 0.000 0.958 342 N HN 0.407 nan 8.380 nan 0.000 0.445 343 E N 0.087 120.388 120.200 0.167 0.000 2.447 343 E HA 0.036 4.376 4.350 -0.017 0.000 0.195 343 E C -0.196 176.468 176.600 0.106 0.000 1.028 343 E CA 0.146 56.614 56.400 0.114 0.000 0.876 343 E CB 0.249 30.004 29.700 0.091 0.000 0.885 343 E HN 0.497 nan 8.360 nan 0.000 0.500 344 E N 2.147 122.443 120.200 0.159 0.000 2.331 344 E HA 0.055 4.395 4.350 -0.017 0.000 0.272 344 E C -1.674 174.915 176.600 -0.019 0.000 1.036 344 E CA -1.863 54.578 56.400 0.068 0.000 0.864 344 E CB 1.021 30.756 29.700 0.058 0.000 1.035 344 E HN -0.120 nan 8.360 nan 0.000 0.408 345 P HA -0.218 nan 4.420 nan 0.000 0.218 345 P C 1.046 178.234 177.300 -0.187 0.000 1.149 345 P CA 1.281 64.324 63.100 -0.095 0.000 0.817 345 P CB 0.020 31.674 31.700 -0.077 0.000 0.785 346 R N -1.151 119.144 120.500 -0.342 0.000 2.241 346 R HA -0.042 4.288 4.340 -0.017 0.000 0.224 346 R C 0.972 176.951 176.300 -0.536 0.000 1.101 346 R CA 1.203 57.009 56.100 -0.490 0.000 0.995 346 R CB -1.123 28.753 30.300 -0.708 0.000 0.870 346 R HN 0.137 nan 8.270 nan 0.000 0.463 347 F N 0.962 120.844 119.950 -0.114 0.000 2.664 347 F HA 0.414 4.949 4.527 0.012 0.000 0.303 347 F C 0.162 175.815 175.800 -0.245 0.000 1.092 347 F CA -0.535 57.380 58.000 -0.142 0.000 1.305 347 F CB 0.449 39.457 39.000 0.013 0.000 1.054 347 F HN -0.142 nan 8.300 nan 0.000 0.565 348 L N -0.209 120.947 121.223 -0.112 0.000 2.381 348 L HA 0.398 4.728 4.340 -0.017 0.000 0.274 348 L C -0.788 175.987 176.870 -0.158 0.000 0.988 348 L CA -1.075 53.702 54.840 -0.105 0.000 0.824 348 L CB 1.360 43.406 42.059 -0.021 0.000 1.263 348 L HN -0.107 nan 8.230 nan 0.000 0.410 349 Y N 1.091 121.392 120.300 0.001 0.000 2.379 349 Y HA 0.059 4.604 4.550 -0.009 0.000 0.337 349 Y C 0.871 176.767 175.900 -0.007 0.000 1.238 349 Y CA -0.103 57.994 58.100 -0.004 0.000 1.405 349 Y CB 0.448 38.903 38.460 -0.008 0.000 1.310 349 Y HN 0.509 nan 8.280 nan 0.000 0.569 350 E N 1.498 121.792 120.200 0.157 0.000 2.392 350 E HA -0.092 4.248 4.350 -0.017 0.000 0.264 350 E C -0.798 175.847 176.600 0.075 0.000 1.024 350 E CA -0.511 55.939 56.400 0.082 0.000 0.903 350 E CB 0.498 30.233 29.700 0.058 0.000 0.963 350 E HN 0.585 nan 8.360 nan 0.000 0.432 351 D N 3.095 123.524 120.400 0.048 0.000 2.508 351 D HA 0.101 4.731 4.640 -0.017 0.000 0.224 351 D C -1.418 174.895 176.300 0.021 0.000 1.171 351 D CA 0.024 54.044 54.000 0.034 0.000 1.006 351 D CB -0.365 40.452 40.800 0.027 0.000 1.073 351 D HN 0.394 nan 8.370 nan 0.000 0.513 352 S N 1.125 116.835 115.700 0.017 0.000 2.611 352 S HA 0.315 4.775 4.470 -0.017 0.000 0.268 352 S C 1.185 175.783 174.600 -0.003 0.000 1.156 352 S CA -0.869 57.335 58.200 0.007 0.000 0.817 352 S CB 0.301 63.507 63.200 0.011 0.000 1.122 352 S HN 0.103 nan 8.310 nan 0.000 0.466 353 I N 1.030 121.595 120.570 -0.008 0.000 2.194 353 I HA -0.199 3.961 4.170 -0.017 0.000 0.246 353 I C 2.822 178.925 176.117 -0.024 0.000 1.093 353 I CA 1.999 63.288 61.300 -0.018 0.000 1.355 353 I CB -0.666 37.324 38.000 -0.016 0.000 1.046 353 I HN 0.862 nan 8.210 nan 0.000 0.413 354 A N 0.593 123.406 122.820 -0.012 0.000 1.929 354 A HA -0.047 4.263 4.320 -0.017 0.000 0.216 354 A C 2.420 180.001 177.584 -0.006 0.000 1.176 354 A CA 1.622 53.654 52.037 -0.009 0.000 0.628 354 A CB -1.216 17.786 19.000 0.003 0.000 0.816 354 A HN 0.458 nan 8.150 nan 0.000 0.444 355 G N -0.485 108.321 108.800 0.011 0.000 2.402 355 G HA2 -0.177 3.773 3.960 -0.017 0.000 0.216 355 G HA3 -0.177 3.773 3.960 -0.017 0.000 0.216 355 G C 1.762 176.612 174.900 -0.084 0.000 1.162 355 G CA 0.768 45.895 45.100 0.044 0.000 0.777 355 G HN 0.542 nan 8.290 nan 0.000 0.539 356 R N 0.365 120.809 120.500 -0.093 0.000 2.092 356 R HA -0.003 4.327 4.340 -0.017 0.000 0.231 356 R C 2.512 178.704 176.300 -0.179 0.000 1.119 356 R CA 1.309 57.315 56.100 -0.156 0.000 0.970 356 R CB -0.230 30.014 30.300 -0.094 0.000 0.864 356 R HN 0.444 nan 8.270 nan 0.000 0.440 357 E N 0.371 120.499 120.200 -0.119 0.000 2.118 357 E HA -0.237 4.103 4.350 -0.017 0.000 0.195 357 E C 1.882 178.402 176.600 -0.133 0.000 0.992 357 E CA 1.083 57.416 56.400 -0.112 0.000 0.804 357 E CB 0.019 29.678 29.700 -0.068 0.000 0.741 357 E HN 0.381 nan 8.360 nan 0.000 0.458 358 E N 0.968 121.094 120.200 -0.124 0.000 2.047 358 E HA -0.191 4.149 4.350 -0.017 0.000 0.191 358 E C 2.213 178.664 176.600 -0.248 0.000 0.987 358 E CA 0.575 56.922 56.400 -0.088 0.000 0.799 358 E CB -0.043 29.708 29.700 0.084 0.000 0.752 358 E HN 0.221 nan 8.360 nan 0.000 0.449 359 L N 0.732 121.574 121.223 -0.636 0.000 2.012 359 L HA -0.226 4.104 4.340 -0.017 0.000 0.210 359 L C 2.414 179.053 176.870 -0.385 0.000 1.073 359 L CA 1.259 55.600 54.840 -0.831 0.000 0.748 359 L CB -0.167 41.277 42.059 -1.026 0.000 0.891 359 L HN 0.258 nan 8.230 nan 0.000 0.431 360 L N -1.010 120.033 121.223 -0.299 0.000 2.093 360 L HA -0.192 4.138 4.340 -0.017 0.000 0.208 360 L C 2.587 179.337 176.870 -0.201 0.000 1.085 360 L CA 1.219 55.920 54.840 -0.231 0.000 0.755 360 L CB -0.422 41.520 42.059 -0.196 0.000 0.904 360 L HN 0.230 nan 8.230 nan 0.000 0.435 361 S N -0.479 115.113 115.700 -0.180 0.000 2.368 361 S HA -0.166 4.294 4.470 -0.017 0.000 0.224 361 S C 1.507 175.980 174.600 -0.211 0.000 1.029 361 S CA 1.198 59.306 58.200 -0.154 0.000 0.988 361 S CB -0.253 62.882 63.200 -0.108 0.000 0.838 361 S HN 0.426 nan 8.310 nan 0.000 0.462 362 D N 1.611 121.857 120.400 -0.256 0.000 2.104 362 D HA -0.047 4.583 4.640 -0.017 0.000 0.194 362 D C 1.855 177.690 176.300 -0.776 0.000 0.994 362 D CA 0.830 54.540 54.000 -0.484 0.000 0.830 362 D CB -0.439 40.173 40.800 -0.313 0.000 0.959 362 D HN 0.317 nan 8.370 nan 0.000 0.452 363 I N 1.197 121.525 120.570 -0.402 0.000 2.151 363 I HA -0.299 3.861 4.170 -0.017 0.000 0.243 363 I C 2.119 178.175 176.117 -0.101 0.000 1.080 363 I CA 0.980 62.184 61.300 -0.160 0.000 1.339 363 I CB -0.234 37.711 38.000 -0.092 0.000 1.039 363 I HN 0.021 nan 8.210 nan 0.000 0.409 364 N N 0.906 119.526 118.700 -0.134 0.000 2.166 364 N HA -0.132 4.598 4.740 -0.017 0.000 0.186 364 N C 1.878 177.356 175.510 -0.053 0.000 1.019 364 N CA 1.686 54.694 53.050 -0.071 0.000 0.856 364 N CB -0.521 37.916 38.487 -0.084 0.000 0.993 364 N HN 0.459 nan 8.380 nan 0.000 0.426 365 G N 0.285 109.007 108.800 -0.130 0.000 2.422 365 G HA2 -0.227 3.723 3.960 -0.017 0.000 0.218 365 G HA3 -0.227 3.723 3.960 -0.017 0.000 0.218 365 G C 1.150 176.075 174.900 0.042 0.000 1.146 365 G CA 0.490 45.541 45.100 -0.081 0.000 0.769 365 G HN 0.252 nan 8.290 nan 0.000 0.547 366 Y N 0.790 121.122 120.300 0.054 0.000 2.181 366 Y HA 0.010 4.548 4.550 -0.021 0.000 0.288 366 Y C 2.763 178.741 175.900 0.131 0.000 1.146 366 Y CA 0.037 58.188 58.100 0.085 0.000 1.164 366 Y CB -0.790 37.681 38.460 0.019 0.000 0.982 366 Y HN 0.148 nan 8.280 nan 0.000 0.515 367 I N -0.712 120.009 120.570 0.252 0.000 2.179 367 I HA -0.325 3.836 4.170 -0.017 0.000 0.242 367 I C 2.203 178.395 176.117 0.125 0.000 1.088 367 I CA 1.881 63.292 61.300 0.186 0.000 1.357 367 I CB -0.781 37.311 38.000 0.153 0.000 1.051 367 I HN 0.177 nan 8.210 nan 0.000 0.409 368 T N -0.055 114.557 114.554 0.096 0.000 2.708 368 T HA -0.251 4.089 4.350 -0.017 0.000 0.266 368 T C 1.812 176.550 174.700 0.063 0.000 1.037 368 T CA 1.758 63.899 62.100 0.068 0.000 1.146 368 T CB -0.291 68.605 68.868 0.046 0.000 0.865 368 T HN 0.455 nan 8.240 nan 0.000 0.435 369 E N 0.326 120.576 120.200 0.084 0.000 2.031 369 E HA -0.130 4.210 4.350 -0.017 0.000 0.193 369 E C 2.333 178.948 176.600 0.024 0.000 0.994 369 E CA 1.171 57.611 56.400 0.065 0.000 0.800 369 E CB -0.269 29.492 29.700 0.101 0.000 0.752 369 E HN 0.260 nan 8.360 nan 0.000 0.447 370 V N 0.670 120.601 119.914 0.029 0.000 2.427 370 V HA -0.193 3.917 4.120 -0.017 0.000 0.248 370 V C 2.065 178.077 176.094 -0.137 0.000 1.051 370 V CA 2.399 64.640 62.300 -0.098 0.000 1.048 370 V CB -0.444 31.271 31.823 -0.180 0.000 0.666 370 V HN 0.418 nan 8.190 nan 0.000 0.456 371 T N 0.311 114.813 114.554 -0.087 0.000 2.867 371 T HA -0.054 4.286 4.350 -0.017 0.000 0.268 371 T C 1.935 176.597 174.700 -0.062 0.000 1.057 371 T CA 1.433 63.455 62.100 -0.130 0.000 1.136 371 T CB -0.361 68.505 68.868 -0.002 0.000 0.874 371 T HN 0.644 nan 8.240 nan 0.000 0.466 372 A N 1.782 124.595 122.820 -0.011 0.000 1.872 372 A HA -0.028 4.282 4.320 -0.017 0.000 0.214 372 A C 2.289 179.875 177.584 0.002 0.000 1.187 372 A CA 0.996 53.041 52.037 0.014 0.000 0.614 372 A CB -0.218 18.796 19.000 0.024 0.000 0.826 372 A HN 0.198 nan 8.150 nan 0.000 0.442 373 K N -0.069 120.318 120.400 -0.022 0.000 2.288 373 K HA -0.049 4.261 4.320 -0.017 0.000 0.201 373 K C 1.935 178.524 176.600 -0.017 0.000 1.048 373 K CA 1.347 57.620 56.287 -0.023 0.000 0.956 373 K CB -0.347 32.125 32.500 -0.047 0.000 0.746 373 K HN 0.848 nan 8.250 nan 0.000 0.461 374 M N -1.651 117.926 119.600 -0.038 0.000 2.595 374 M HA 0.173 4.643 4.480 -0.017 0.000 0.248 374 M C 1.895 178.281 176.300 0.143 0.000 1.119 374 M CA 0.847 56.169 55.300 0.038 0.000 1.079 374 M CB -0.208 32.337 32.600 -0.092 0.000 1.472 374 M HN -0.106 nan 8.290 nan 0.000 0.501 375 A N 2.038 124.911 122.820 0.089 0.000 1.948 375 A HA -0.060 4.250 4.320 -0.017 0.000 0.220 375 A C -0.302 177.367 177.584 0.143 0.000 1.177 375 A CA 1.406 53.530 52.037 0.144 0.000 0.636 375 A CB -1.881 17.188 19.000 0.115 0.000 0.815 375 A HN 0.475 nan 8.150 nan 0.000 0.449 376 P HA -0.086 nan 4.420 nan 0.000 0.220 376 P C 1.183 178.512 177.300 0.048 0.000 1.148 376 P CA 1.736 64.874 63.100 0.063 0.000 0.803 376 P CB -0.061 31.663 31.700 0.039 0.000 0.782 377 V N -7.303 112.642 119.914 0.052 0.000 3.427 377 V HA 0.364 4.474 4.120 -0.017 0.000 0.305 377 V C -0.046 175.932 176.094 -0.194 0.000 1.412 377 V CA 0.049 62.313 62.300 -0.061 0.000 1.086 377 V CB -0.873 30.893 31.823 -0.095 0.000 0.964 377 V HN -0.187 nan 8.190 nan 0.000 0.439 378 F N 0.845 120.910 119.950 0.192 0.000 2.769 378 F HA 0.593 5.110 4.527 -0.017 0.000 0.358 378 F C 1.198 177.174 175.800 0.294 0.000 1.285 378 F CA -0.711 57.445 58.000 0.260 0.000 1.199 378 F CB 1.306 40.364 39.000 0.096 0.000 1.558 378 F HN -0.131 nan 8.300 nan 0.000 0.583 379 R N -0.551 120.147 120.500 0.330 0.000 2.297 379 R HA 0.147 4.477 4.340 -0.017 0.000 0.197 379 R C 0.115 176.542 176.300 0.211 0.000 0.943 379 R CA 0.432 56.668 56.100 0.226 0.000 1.038 379 R CB 0.258 30.631 30.300 0.122 0.000 0.957 379 R HN 0.214 nan 8.270 nan 0.000 0.484 380 T N 1.282 115.979 114.554 0.238 0.000 2.770 380 T HA 0.198 4.538 4.350 -0.017 0.000 0.297 380 T C -0.266 174.464 174.700 0.050 0.000 0.997 380 T CA -0.256 61.908 62.100 0.108 0.000 0.949 380 T CB 1.880 70.768 68.868 0.032 0.000 0.941 380 T HN -0.090 nan 8.240 nan 0.000 0.457 381 T N 6.980 121.527 114.554 -0.012 0.000 2.771 381 T HA 0.404 4.744 4.350 -0.017 0.000 0.291 381 T C -1.949 172.543 174.700 -0.347 0.000 0.954 381 T CA -1.114 60.858 62.100 -0.213 0.000 1.045 381 T CB 0.772 69.659 68.868 0.032 0.000 0.917 381 T HN 0.373 nan 8.240 nan 0.000 0.484 382 P HA 0.186 nan 4.420 nan 0.000 0.274 382 P C 0.532 177.739 177.300 -0.155 0.000 1.237 382 P CA -0.513 62.374 63.100 -0.356 0.000 0.793 382 P CB 0.641 32.069 31.700 -0.454 0.000 0.977 383 S N -0.709 114.918 115.700 -0.122 0.000 2.701 383 S HA 0.074 4.534 4.470 -0.017 0.000 0.220 383 S C -0.078 174.339 174.600 -0.305 0.000 0.954 383 S CA -0.073 57.988 58.200 -0.232 0.000 0.936 383 S CB -1.081 61.906 63.200 -0.355 0.000 0.777 383 S HN 0.397 nan 8.310 nan 0.000 0.518 384 Y N 0.992 121.308 120.300 0.027 0.000 2.376 384 Y HA 0.533 5.072 4.550 -0.017 0.000 0.340 384 Y C 0.267 176.335 175.900 0.280 0.000 0.965 384 Y CA -1.095 57.089 58.100 0.140 0.000 1.078 384 Y CB 1.370 39.941 38.460 0.185 0.000 1.193 384 Y HN 0.059 nan 8.280 nan 0.000 0.452 385 Q N 2.117 122.108 119.800 0.319 0.000 2.271 385 Q HA 0.412 4.742 4.340 -0.017 0.000 0.258 385 Q C -0.770 175.214 176.000 -0.026 0.000 0.936 385 Q CA -0.875 55.031 55.803 0.173 0.000 0.909 385 Q CB 3.109 31.903 28.738 0.093 0.000 1.253 385 Q HN 0.601 nan 8.270 nan 0.000 0.440 386 V N 2.939 122.632 119.914 -0.370 0.000 2.881 386 V HA 0.146 4.256 4.120 -0.017 0.000 0.303 386 V C -0.381 175.624 176.094 -0.149 0.000 1.070 386 V CA 0.297 62.322 62.300 -0.459 0.000 1.074 386 V CB 1.210 32.671 31.823 -0.603 0.000 1.012 386 V HN 0.762 nan 8.190 nan 0.000 0.482 387 E N 3.412 123.539 120.200 -0.121 0.000 2.312 387 E HA 0.551 4.891 4.350 -0.017 0.000 0.267 387 E C -1.570 174.920 176.600 -0.183 0.000 0.894 387 E CA -0.813 55.507 56.400 -0.134 0.000 0.773 387 E CB 2.479 32.087 29.700 -0.155 0.000 1.241 387 E HN 0.493 nan 8.360 nan 0.000 0.432 388 V N 2.480 122.265 119.914 -0.216 0.000 2.435 388 V HA 0.385 4.495 4.120 -0.017 0.000 0.290 388 V C -0.263 175.579 176.094 -0.419 0.000 1.030 388 V CA -0.508 61.594 62.300 -0.329 0.000 0.881 388 V CB 1.262 32.903 31.823 -0.304 0.000 0.983 388 V HN 0.550 nan 8.190 nan 0.000 0.445 389 K N 2.194 122.241 120.400 -0.588 0.000 2.469 389 K HA 0.594 4.904 4.320 -0.017 0.000 0.254 389 K C -0.502 175.873 176.600 -0.374 0.000 0.939 389 K CA -0.587 55.368 56.287 -0.553 0.000 0.812 389 K CB 2.442 34.375 32.500 -0.944 0.000 1.301 389 K HN 0.770 nan 8.250 nan 0.000 0.433 390 S N 0.997 116.605 115.700 -0.155 0.000 2.586 390 S HA 0.406 4.866 4.470 -0.017 0.000 0.274 390 S C -0.058 174.665 174.600 0.205 0.000 1.281 390 S CA -0.743 57.453 58.200 -0.006 0.000 1.035 390 S CB 0.152 63.355 63.200 0.005 0.000 0.962 390 S HN 0.312 nan 8.310 nan 0.000 0.512 391 F N 2.434 122.560 119.950 0.293 0.000 2.572 391 F HA 0.283 4.800 4.527 -0.018 0.000 0.370 391 F C -1.695 174.178 175.800 0.122 0.000 1.103 391 F CA -1.304 56.827 58.000 0.218 0.000 1.286 391 F CB -0.373 38.672 39.000 0.074 0.000 1.105 391 F HN 0.404 nan 8.300 nan 0.000 0.583 392 P HA 0.008 nan 4.420 nan 0.000 0.270 392 P C 0.875 178.238 177.300 0.105 0.000 1.223 392 P CA -0.138 63.056 63.100 0.156 0.000 0.785 392 P CB 0.620 32.387 31.700 0.111 0.000 0.923 393 V N 1.541 121.491 119.914 0.059 0.000 2.469 393 V HA -0.251 3.859 4.120 -0.017 0.000 0.251 393 V C 1.825 177.919 176.094 -0.000 0.000 1.064 393 V CA 2.023 64.340 62.300 0.028 0.000 1.066 393 V CB -1.252 30.579 31.823 0.013 0.000 0.667 393 V HN 0.589 nan 8.190 nan 0.000 0.461 394 E N 0.455 120.647 120.200 -0.013 0.000 2.204 394 E HA -0.139 4.201 4.350 -0.017 0.000 0.195 394 E C 1.817 178.383 176.600 -0.056 0.000 0.990 394 E CA 1.454 57.824 56.400 -0.051 0.000 0.821 394 E CB -0.274 29.378 29.700 -0.080 0.000 0.750 394 E HN 0.677 nan 8.360 nan 0.000 0.477 395 V N -1.431 118.462 119.914 -0.036 0.000 3.556 395 V HA 0.072 4.182 4.120 -0.017 0.000 0.287 395 V C 1.790 177.806 176.094 -0.131 0.000 1.422 395 V CA 0.369 62.626 62.300 -0.071 0.000 1.038 395 V CB -0.069 31.714 31.823 -0.066 0.000 0.850 395 V HN 0.218 nan 8.190 nan 0.000 0.437 396 Q N 0.305 120.059 119.800 -0.078 0.000 2.224 396 Q HA -0.168 4.162 4.340 -0.017 0.000 0.203 396 Q C 1.305 177.231 176.000 -0.123 0.000 0.970 396 Q CA 1.901 57.639 55.803 -0.108 0.000 0.865 396 Q CB -0.450 28.297 28.738 0.015 0.000 0.922 396 Q HN 0.546 nan 8.270 nan 0.000 0.445 397 D N 1.529 121.878 120.400 -0.084 0.000 2.117 397 D HA -0.089 4.541 4.640 -0.017 0.000 0.198 397 D C 1.845 178.092 176.300 -0.089 0.000 0.982 397 D CA 1.659 55.618 54.000 -0.069 0.000 0.828 397 D CB -0.336 40.437 40.800 -0.045 0.000 0.967 397 D HN 0.519 nan 8.370 nan 0.000 0.464 398 G N -0.236 108.501 108.800 -0.105 0.000 3.042 398 G HA2 0.325 4.275 3.960 -0.017 0.000 0.212 398 G HA3 0.325 4.275 3.960 -0.017 0.000 0.212 398 G C 0.540 175.325 174.900 -0.191 0.000 1.166 398 G CA 0.342 45.377 45.100 -0.110 0.000 0.767 398 G HN 0.388 nan 8.290 nan 0.000 0.546 399 A N 1.044 123.672 122.820 -0.321 0.000 2.304 399 A HA 0.692 5.002 4.320 -0.017 0.000 0.271 399 A C -1.727 175.628 177.584 -0.382 0.000 1.091 399 A CA -1.171 50.528 52.037 -0.564 0.000 0.812 399 A CB 0.637 18.812 19.000 -1.374 0.000 1.056 399 A HN 0.171 nan 8.150 nan 0.000 0.489 400 P HA 0.105 nan 4.420 nan 0.000 0.273 400 P C 1.097 178.425 177.300 0.048 0.000 1.250 400 P CA 0.418 63.488 63.100 -0.050 0.000 0.793 400 P CB 0.362 32.120 31.700 0.096 0.000 1.011 401 G N 0.008 108.866 108.800 0.095 0.000 2.440 401 G HA2 0.087 4.037 3.960 -0.017 0.000 0.218 401 G HA3 0.087 4.037 3.960 -0.017 0.000 0.218 401 G C 0.713 175.793 174.900 0.300 0.000 1.154 401 G CA 0.960 46.146 45.100 0.144 0.000 0.767 401 G HN 0.862 nan 8.290 nan 0.000 0.552 402 G N -2.133 106.882 108.800 0.359 0.000 2.692 402 G HA2 0.586 4.536 3.960 -0.017 0.000 0.291 402 G HA3 0.586 4.536 3.960 -0.017 0.000 0.291 402 G C -1.714 173.498 174.900 0.520 0.000 1.423 402 G CA -0.334 45.066 45.100 0.501 0.000 0.843 402 G HN 0.414 nan 8.290 nan 0.000 0.486 403 Q N -1.152 118.999 119.800 0.585 0.000 2.578 403 Q HA 0.540 4.870 4.340 -0.017 0.000 0.284 403 Q C -2.383 173.980 176.000 0.605 0.000 0.960 403 Q CA -0.917 55.204 55.803 0.530 0.000 0.809 403 Q CB 2.622 31.649 28.738 0.481 0.000 1.462 403 Q HN 0.707 nan 8.270 nan 0.000 0.392 404 Y N 1.061 121.587 120.300 0.378 0.000 2.376 404 Y HA 0.614 5.153 4.550 -0.017 0.000 0.340 404 Y C -1.169 174.881 175.900 0.249 0.000 0.965 404 Y CA -0.281 58.020 58.100 0.334 0.000 1.078 404 Y CB 1.973 40.599 38.460 0.276 0.000 1.193 404 Y HN 0.598 nan 8.280 nan 0.000 0.452 405 T N 2.042 116.353 114.554 -0.405 0.000 2.797 405 T HA 0.429 4.769 4.350 -0.017 0.000 0.279 405 T C -0.084 174.182 174.700 -0.724 0.000 0.991 405 T CA -0.865 61.014 62.100 -0.369 0.000 0.979 405 T CB 1.347 70.247 68.868 0.053 0.000 0.943 405 T HN 0.706 nan 8.240 nan 0.000 0.444 406 S N 3.820 119.304 115.700 -0.360 0.000 2.573 406 S HA 0.317 4.777 4.470 -0.017 0.000 0.277 406 S C -2.202 172.343 174.600 -0.092 0.000 1.346 406 S CA -0.941 57.180 58.200 -0.133 0.000 1.034 406 S CB -0.388 62.848 63.200 0.061 0.000 0.879 406 S HN 0.647 nan 8.310 nan 0.000 0.528 407 P HA 0.236 nan 4.420 nan 0.000 0.270 407 P C -0.969 176.368 177.300 0.062 0.000 1.223 407 P CA -0.347 62.759 63.100 0.009 0.000 0.785 407 P CB 0.183 31.847 31.700 -0.060 0.000 0.923 408 A N 1.729 124.621 122.820 0.119 0.000 2.445 408 A HA 0.095 4.405 4.320 -0.017 0.000 0.242 408 A C 1.619 179.348 177.584 0.242 0.000 1.075 408 A CA -0.281 51.863 52.037 0.178 0.000 0.777 408 A CB -0.541 18.544 19.000 0.142 0.000 1.013 408 A HN 0.420 nan 8.150 nan 0.000 0.493 409 V N 1.670 121.746 119.914 0.269 0.000 2.380 409 V HA -0.270 3.840 4.120 -0.017 0.000 0.251 409 V C 2.004 178.288 176.094 0.317 0.000 1.063 409 V CA 2.626 65.097 62.300 0.284 0.000 1.055 409 V CB -1.023 30.964 31.823 0.274 0.000 0.657 409 V HN 1.054 nan 8.190 nan 0.000 0.455 410 D N -0.315 120.217 120.400 0.220 0.000 2.349 410 D HA 0.183 4.813 4.640 -0.017 0.000 0.224 410 D C 1.605 177.995 176.300 0.151 0.000 1.029 410 D CA 0.922 55.013 54.000 0.152 0.000 0.879 410 D CB 0.112 40.964 40.800 0.088 0.000 0.906 410 D HN 0.495 nan 8.370 nan 0.000 0.528 411 G N 0.116 109.077 108.800 0.269 0.000 2.199 411 G HA2 -0.382 3.568 3.960 -0.017 0.000 0.254 411 G HA3 -0.382 3.568 3.960 -0.017 0.000 0.254 411 G C 1.296 176.283 174.900 0.146 0.000 0.982 411 G CA 0.900 46.143 45.100 0.238 0.000 0.632 411 G HN 0.690 nan 8.290 nan 0.000 0.529 412 S N -0.458 115.310 115.700 0.112 0.000 2.423 412 S HA 0.091 4.551 4.470 -0.017 0.000 0.231 412 S C 1.001 175.645 174.600 0.073 0.000 1.014 412 S CA 1.837 60.082 58.200 0.074 0.000 0.965 412 S CB 0.185 63.421 63.200 0.060 0.000 0.785 412 S HN 0.846 nan 8.310 nan 0.000 0.495 413 K N 2.619 123.074 120.400 0.093 0.000 2.376 413 K HA 0.463 4.774 4.320 -0.017 0.000 0.257 413 K C -3.119 173.538 176.600 0.095 0.000 0.939 413 K CA -2.465 53.866 56.287 0.074 0.000 0.809 413 K CB 1.898 34.439 32.500 0.068 0.000 1.121 413 K HN 0.047 nan 8.250 nan 0.000 0.425 414 P HA 0.141 nan 4.420 nan 0.000 0.276 414 P C -0.151 177.185 177.300 0.061 0.000 1.252 414 P CA -0.316 62.840 63.100 0.094 0.000 0.802 414 P CB 0.774 32.491 31.700 0.029 0.000 1.035 415 G N 0.848 109.731 108.800 0.138 0.000 2.442 415 G HA2 0.467 4.417 3.960 -0.017 0.000 0.249 415 G HA3 0.467 4.417 3.960 -0.017 0.000 0.249 415 G C -0.435 174.445 174.900 -0.033 0.000 1.263 415 G CA -0.474 44.679 45.100 0.089 0.000 0.846 415 G HN 0.401 nan 8.290 nan 0.000 0.555 416 I N 1.306 121.736 120.570 -0.234 0.000 2.498 416 I HA 0.158 4.318 4.170 -0.017 0.000 0.290 416 I C -1.152 174.885 176.117 -0.133 0.000 1.032 416 I CA -1.052 60.063 61.300 -0.309 0.000 1.073 416 I CB 2.322 39.910 38.000 -0.688 0.000 1.251 416 I HN 0.474 nan 8.210 nan 0.000 0.426 417 Y N 6.435 126.646 120.300 -0.148 0.000 2.477 417 Y HA 0.342 4.881 4.550 -0.018 0.000 0.349 417 Y C -1.294 174.460 175.900 -0.244 0.000 0.977 417 Y CA -1.833 56.276 58.100 0.015 0.000 1.214 417 Y CB 0.298 38.816 38.460 0.097 0.000 1.124 417 Y HN 0.418 nan 8.280 nan 0.000 0.521 418 W N 7.721 129.059 121.300 0.063 0.000 2.351 418 W HA 0.485 5.135 4.660 -0.017 0.000 0.311 418 W C -0.701 175.647 176.519 -0.284 0.000 1.168 418 W CA -0.595 56.516 57.345 -0.390 0.000 1.200 418 W CB 0.943 29.869 29.460 -0.889 0.000 1.221 418 W HN 0.424 nan 8.180 nan 0.000 0.519 419 I N 4.084 124.558 120.570 -0.160 0.000 2.509 419 I HA 0.304 4.464 4.170 -0.017 0.000 0.293 419 I C -0.587 175.661 176.117 0.219 0.000 1.020 419 I CA -0.834 60.474 61.300 0.013 0.000 1.088 419 I CB 1.174 39.042 38.000 -0.220 0.000 1.267 419 I HN 0.309 nan 8.210 nan 0.000 0.430 420 N N 7.330 126.257 118.700 0.378 0.000 2.437 420 N HA 0.240 4.970 4.740 -0.017 0.000 0.243 420 N C -0.099 175.505 175.510 0.156 0.000 1.041 420 N CA -0.047 53.223 53.050 0.367 0.000 0.940 420 N CB 0.676 39.317 38.487 0.257 0.000 1.133 420 N HN 0.676 nan 8.380 nan 0.000 0.506 421 L N 3.307 124.600 121.223 0.117 0.000 2.685 421 L HA 0.216 4.546 4.340 -0.017 0.000 0.233 421 L C 2.174 179.066 176.870 0.037 0.000 1.173 421 L CA -0.133 54.732 54.840 0.042 0.000 0.961 421 L CB -0.061 42.001 42.059 0.006 0.000 1.217 421 L HN 0.468 nan 8.230 nan 0.000 0.478 422 R N 0.891 121.419 120.500 0.047 0.000 2.083 422 R HA -0.137 4.193 4.340 -0.017 0.000 0.237 422 R C 0.182 176.493 176.300 0.018 0.000 1.137 422 R CA 1.486 57.601 56.100 0.025 0.000 0.951 422 R CB 0.246 30.554 30.300 0.013 0.000 0.851 422 R HN 0.199 nan 8.270 nan 0.000 0.434 423 D N -0.797 119.616 120.400 0.021 0.000 2.620 423 D HA 0.106 4.736 4.640 -0.017 0.000 0.252 423 D C 0.711 177.029 176.300 0.030 0.000 1.207 423 D CA -0.378 53.634 54.000 0.020 0.000 0.884 423 D CB 1.461 42.269 40.800 0.013 0.000 1.262 423 D HN -0.088 nan 8.370 nan 0.000 0.552 424 M N 2.525 122.149 119.600 0.040 0.000 2.296 424 M HA -0.068 4.402 4.480 -0.017 0.000 0.265 424 M C 1.465 177.797 176.300 0.053 0.000 1.064 424 M CA 0.972 56.315 55.300 0.071 0.000 1.109 424 M CB -0.450 32.210 32.600 0.099 0.000 1.396 424 M HN 0.363 nan 8.290 nan 0.000 0.430 425 K N -0.001 120.417 120.400 0.030 0.000 2.283 425 K HA 0.046 4.356 4.320 -0.017 0.000 0.202 425 K C 1.736 178.332 176.600 -0.005 0.000 1.048 425 K CA 1.219 57.514 56.287 0.014 0.000 0.948 425 K CB -0.613 31.898 32.500 0.018 0.000 0.742 425 K HN 0.314 nan 8.250 nan 0.000 0.458 426 A N 1.047 123.867 122.820 0.001 0.000 2.251 426 A HA 0.020 4.330 4.320 -0.017 0.000 0.209 426 A C 0.402 177.973 177.584 -0.021 0.000 1.187 426 A CA 0.287 52.317 52.037 -0.012 0.000 0.823 426 A CB -0.279 18.721 19.000 -0.000 0.000 0.846 426 A HN 0.290 nan 8.150 nan 0.000 0.486 427 N N 0.768 119.464 118.700 -0.006 0.000 2.660 427 N HA 0.211 4.941 4.740 -0.017 0.000 0.316 427 N C -3.000 172.500 175.510 -0.017 0.000 1.774 427 N CA -1.139 51.923 53.050 0.019 0.000 0.946 427 N CB 0.999 39.541 38.487 0.092 0.000 1.322 427 N HN 0.244 nan 8.380 nan 0.000 0.492 428 P HA -0.046 nan 4.420 nan 0.000 0.266 428 P C 0.235 177.271 177.300 -0.440 0.000 1.195 428 P CA 0.119 62.928 63.100 -0.484 0.000 0.768 428 P CB 1.351 32.370 31.700 -1.135 0.000 0.838 429 K N 1.809 122.028 120.400 -0.301 0.000 2.103 429 K HA -0.150 4.160 4.320 -0.017 0.000 0.207 429 K C 1.748 178.348 176.600 -0.000 0.000 1.048 429 K CA 1.774 58.009 56.287 -0.087 0.000 0.930 429 K CB -0.629 31.836 32.500 -0.060 0.000 0.716 429 K HN 0.556 nan 8.250 nan 0.000 0.444 430 F N -0.797 119.150 119.950 -0.006 0.000 2.699 430 F HA 0.150 4.663 4.527 -0.023 0.000 0.298 430 F C 1.601 177.382 175.800 -0.033 0.000 1.154 430 F CA 0.487 58.447 58.000 -0.066 0.000 1.457 430 F CB -0.736 38.068 39.000 -0.328 0.000 1.106 430 F HN -0.152 nan 8.300 nan 0.000 0.585 431 G N 0.117 108.881 108.800 -0.061 0.000 3.020 431 G HA2 0.079 4.029 3.960 -0.017 0.000 0.217 431 G HA3 0.079 4.029 3.960 -0.017 0.000 0.217 431 G C 1.214 176.127 174.900 0.023 0.000 1.144 431 G CA 0.222 45.331 45.100 0.015 0.000 0.760 431 G HN 0.368 nan 8.290 nan 0.000 0.548 432 L N 0.474 121.732 121.223 0.059 0.000 2.131 432 L HA 0.305 4.635 4.340 -0.017 0.000 0.206 432 L C 2.554 179.423 176.870 -0.002 0.000 1.087 432 L CA 1.579 56.491 54.840 0.121 0.000 0.767 432 L CB -0.252 41.978 42.059 0.285 0.000 0.917 432 L HN 0.023 nan 8.230 nan 0.000 0.441 433 K N -1.360 118.899 120.400 -0.234 0.000 2.032 433 K HA -0.189 4.121 4.320 -0.017 0.000 0.209 433 K C 2.116 178.331 176.600 -0.642 0.000 1.048 433 K CA 1.918 57.759 56.287 -0.743 0.000 0.927 433 K CB -0.489 31.565 32.500 -0.743 0.000 0.712 433 K HN 0.317 nan 8.250 nan 0.000 0.441 434 T N 1.252 115.730 114.554 -0.126 0.000 2.788 434 T HA -0.110 4.230 4.350 -0.017 0.000 0.268 434 T C 1.749 176.438 174.700 -0.018 0.000 1.044 434 T CA 0.872 62.993 62.100 0.035 0.000 1.139 434 T CB -0.125 68.811 68.868 0.112 0.000 0.867 434 T HN 0.085 nan 8.240 nan 0.000 0.454 435 L N 0.894 122.093 121.223 -0.039 0.000 2.046 435 L HA -0.018 4.312 4.340 -0.017 0.000 0.208 435 L C 2.533 179.363 176.870 -0.066 0.000 1.077 435 L CA 2.028 56.863 54.840 -0.008 0.000 0.747 435 L CB -1.069 41.028 42.059 0.064 0.000 0.896 435 L HN 0.206 nan 8.230 nan 0.000 0.432 436 T N -1.274 113.215 114.554 -0.108 0.000 2.857 436 T HA -0.136 4.204 4.350 -0.017 0.000 0.266 436 T C 1.647 176.261 174.700 -0.142 0.000 1.048 436 T CA 1.482 63.493 62.100 -0.149 0.000 1.139 436 T CB -0.349 68.572 68.868 0.088 0.000 0.874 436 T HN 0.304 nan 8.240 nan 0.000 0.455 437 Y N 0.835 121.118 120.300 -0.029 0.000 2.242 437 Y HA -0.050 4.490 4.550 -0.017 0.000 0.291 437 Y C 2.552 178.394 175.900 -0.095 0.000 1.137 437 Y CA 0.123 58.181 58.100 -0.070 0.000 1.181 437 Y CB -1.095 37.329 38.460 -0.061 0.000 0.989 437 Y HN 0.391 nan 8.280 nan 0.000 0.527 438 H N 0.652 119.698 119.070 -0.040 0.000 2.353 438 H HA -0.108 4.438 4.556 -0.017 0.000 0.300 438 H C 1.422 176.622 175.328 -0.214 0.000 1.090 438 H CA 1.835 57.803 56.048 -0.133 0.000 1.327 438 H CB 0.420 30.134 29.762 -0.081 0.000 1.383 438 H HN 0.286 nan 8.280 nan 0.000 0.508 439 E N 0.207 120.359 120.200 -0.080 0.000 2.122 439 E HA 0.053 4.393 4.350 -0.017 0.000 0.190 439 E C 1.651 178.162 176.600 -0.148 0.000 0.977 439 E CA 0.715 57.060 56.400 -0.091 0.000 0.820 439 E CB 0.090 29.556 29.700 -0.389 0.000 0.770 439 E HN 0.484 nan 8.360 nan 0.000 0.462 440 A N 1.408 124.118 122.820 -0.182 0.000 3.110 440 A HA 0.251 4.561 4.320 -0.017 0.000 0.206 440 A C 0.307 177.932 177.584 0.069 0.000 2.150 440 A CA -0.214 51.822 52.037 -0.002 0.000 1.708 440 A CB -0.038 19.006 19.000 0.072 0.000 1.207 440 A HN 0.047 nan 8.150 nan 0.000 0.367 441 N N 0.593 119.341 118.700 0.080 0.000 2.362 441 N HA 0.452 5.182 4.740 -0.017 0.000 0.298 441 N C -2.663 172.757 175.510 -0.150 0.000 1.048 441 N CA -1.710 51.321 53.050 -0.033 0.000 0.858 441 N CB 1.506 39.949 38.487 -0.072 0.000 1.218 441 N HN 0.113 nan 8.380 nan 0.000 0.488 442 P HA 0.166 nan 4.420 nan 0.000 0.258 442 P C 0.707 177.993 177.300 -0.023 0.000 1.416 442 P CA 0.004 62.792 63.100 -0.521 0.000 0.927 442 P CB 0.194 31.364 31.700 -0.883 0.000 1.444 443 G N 0.050 108.843 108.800 -0.012 0.000 3.224 443 G HA2 -0.060 3.890 3.960 -0.017 0.000 0.161 443 G HA3 -0.060 3.890 3.960 -0.017 0.000 0.161 443 G C 1.050 176.016 174.900 0.110 0.000 1.872 443 G CA 0.160 45.256 45.100 -0.007 0.000 1.012 443 G HN 0.099 nan 8.290 nan 0.000 0.504 444 H N -0.514 118.492 119.070 -0.107 0.000 2.319 444 H HA -0.117 4.429 4.556 -0.016 0.000 0.299 444 H C 2.269 177.313 175.328 -0.473 0.000 1.092 444 H CA 2.006 57.916 56.048 -0.229 0.000 1.302 444 H CB -0.651 28.923 29.762 -0.313 0.000 1.373 444 H HN 0.624 nan 8.280 nan 0.000 0.497 445 H N -0.143 118.570 119.070 -0.596 0.000 2.321 445 H HA -0.161 4.385 4.556 -0.016 0.000 0.300 445 H C 2.461 177.763 175.328 -0.043 0.000 1.087 445 H CA 1.930 57.681 56.048 -0.495 0.000 1.319 445 H CB -0.483 29.173 29.762 -0.178 0.000 1.379 445 H HN 0.397 nan 8.280 nan 0.000 0.501 446 W N 1.246 122.408 121.300 -0.231 0.000 2.338 446 W HA -0.197 4.454 4.660 -0.015 0.000 0.304 446 W C 2.256 178.615 176.519 -0.266 0.000 1.212 446 W CA 1.828 59.041 57.345 -0.219 0.000 1.264 446 W CB -0.132 29.231 29.460 -0.161 0.000 1.142 446 W HN 0.389 nan 8.180 nan 0.000 0.512 447 Q N 0.813 120.583 119.800 -0.051 0.000 2.020 447 Q HA -0.182 4.148 4.340 -0.017 0.000 0.198 447 Q C 2.256 178.146 176.000 -0.184 0.000 0.974 447 Q CA 1.845 57.508 55.803 -0.233 0.000 0.829 447 Q CB -0.858 27.683 28.738 -0.327 0.000 0.894 447 Q HN 0.378 nan 8.270 nan 0.000 0.433 448 I N 1.064 121.559 120.570 -0.125 0.000 2.226 448 I HA -0.265 3.895 4.170 -0.017 0.000 0.245 448 I C 2.510 178.504 176.117 -0.205 0.000 1.100 448 I CA 1.108 62.355 61.300 -0.088 0.000 1.374 448 I CB -0.427 37.607 38.000 0.058 0.000 1.057 448 I HN 0.200 nan 8.210 nan 0.000 0.413 449 A N 0.782 123.392 122.820 -0.349 0.000 1.902 449 A HA -0.163 4.147 4.320 -0.017 0.000 0.217 449 A C 2.290 179.745 177.584 -0.216 0.000 1.181 449 A CA 1.366 53.170 52.037 -0.388 0.000 0.623 449 A CB -0.843 17.840 19.000 -0.529 0.000 0.818 449 A HN 0.373 nan 8.150 nan 0.000 0.443 450 L N -0.277 120.762 121.223 -0.308 0.000 2.046 450 L HA -0.218 4.112 4.340 -0.017 0.000 0.208 450 L C 2.577 179.342 176.870 -0.176 0.000 1.077 450 L CA 1.509 56.192 54.840 -0.261 0.000 0.747 450 L CB -0.576 41.279 42.059 -0.341 0.000 0.896 450 L HN 0.454 nan 8.230 nan 0.000 0.432 451 N N 0.534 119.127 118.700 -0.178 0.000 2.166 451 N HA -0.160 4.570 4.740 -0.017 0.000 0.186 451 N C 1.872 177.296 175.510 -0.143 0.000 1.019 451 N CA 1.358 54.312 53.050 -0.161 0.000 0.856 451 N CB -0.141 38.252 38.487 -0.157 0.000 0.993 451 N HN 0.255 nan 8.380 nan 0.000 0.426 452 L N 0.329 121.475 121.223 -0.128 0.000 2.131 452 L HA -0.134 4.196 4.340 -0.017 0.000 0.210 452 L C 1.359 178.244 176.870 0.024 0.000 1.092 452 L CA 0.970 55.762 54.840 -0.079 0.000 0.759 452 L CB -0.360 41.636 42.059 -0.105 0.000 0.903 452 L HN 0.058 nan 8.230 nan 0.000 0.435 453 D N -0.471 119.958 120.400 0.049 0.000 2.350 453 D HA -0.097 4.533 4.640 -0.017 0.000 0.216 453 D C 0.915 177.200 176.300 -0.026 0.000 0.968 453 D CA 0.659 54.678 54.000 0.032 0.000 0.894 453 D CB -0.009 40.786 40.800 -0.008 0.000 0.909 453 D HN 0.267 nan 8.370 nan 0.000 0.520 454 Q N 0.346 120.112 119.800 -0.057 0.000 3.159 454 Q HA 0.249 4.579 4.340 -0.017 0.000 0.280 454 Q C 0.884 176.855 176.000 -0.047 0.000 1.403 454 Q CA -0.217 55.547 55.803 -0.066 0.000 0.957 454 Q CB 0.105 28.785 28.738 -0.097 0.000 1.729 454 Q HN 0.103 nan 8.270 nan 0.000 0.551 455 A N 1.734 124.542 122.820 -0.020 0.000 2.119 455 A HA -0.137 4.173 4.320 -0.017 0.000 0.217 455 A C 1.777 179.367 177.584 0.010 0.000 1.153 455 A CA 0.833 52.874 52.037 0.006 0.000 0.692 455 A CB 0.018 19.029 19.000 0.019 0.000 0.799 455 A HN 0.477 nan 8.150 nan 0.000 0.458 456 E N 0.438 120.636 120.200 -0.005 0.000 2.478 456 E HA -0.030 4.311 4.350 -0.017 0.000 0.198 456 E C 0.301 176.901 176.600 0.001 0.000 1.046 456 E CA 0.132 56.533 56.400 0.001 0.000 0.870 456 E CB -0.454 29.242 29.700 -0.007 0.000 0.818 456 E HN 0.575 nan 8.360 nan 0.000 0.527 457 L N 2.340 123.551 121.223 -0.020 0.000 2.399 457 L HA 0.324 4.654 4.340 -0.017 0.000 0.266 457 L C -2.011 174.857 176.870 -0.003 0.000 1.114 457 L CA -2.424 52.394 54.840 -0.037 0.000 0.804 457 L CB 0.538 42.543 42.059 -0.089 0.000 1.146 457 L HN -0.141 nan 8.230 nan 0.000 0.451 458 P HA -0.133 nan 4.420 nan 0.000 0.264 458 P C 0.390 177.716 177.300 0.045 0.000 1.179 458 P CA 0.183 63.316 63.100 0.056 0.000 0.763 458 P CB 0.379 32.044 31.700 -0.057 0.000 0.806 459 F N 2.941 122.893 119.950 0.002 0.000 2.126 459 F HA -0.172 4.345 4.527 -0.017 0.000 0.299 459 F C 1.934 177.721 175.800 -0.022 0.000 1.096 459 F CA 1.555 59.545 58.000 -0.015 0.000 1.255 459 F CB -0.409 38.588 39.000 -0.005 0.000 0.997 459 F HN 0.147 nan 8.300 nan 0.000 0.479 460 L N -0.210 121.056 121.223 0.072 0.000 2.275 460 L HA -0.159 4.171 4.340 -0.017 0.000 0.215 460 L C 2.453 179.234 176.870 -0.148 0.000 1.119 460 L CA 0.887 55.716 54.840 -0.018 0.000 0.790 460 L CB -0.539 41.580 42.059 0.099 0.000 0.919 460 L HN 0.087 nan 8.230 nan 0.000 0.443 461 R N -0.064 120.335 120.500 -0.170 0.000 2.189 461 R HA -0.087 4.243 4.340 -0.017 0.000 0.218 461 R C 2.193 178.353 176.300 -0.234 0.000 1.074 461 R CA 0.753 56.745 56.100 -0.180 0.000 0.991 461 R CB -0.082 30.115 30.300 -0.172 0.000 0.883 461 R HN 0.387 nan 8.270 nan 0.000 0.457 462 R N 0.614 120.908 120.500 -0.343 0.000 2.193 462 R HA 0.006 4.336 4.340 -0.017 0.000 0.213 462 R C 1.688 177.757 176.300 -0.385 0.000 1.055 462 R CA 0.933 56.807 56.100 -0.377 0.000 0.995 462 R CB 0.052 30.081 30.300 -0.452 0.000 0.893 462 R HN 0.319 nan 8.270 nan 0.000 0.459 463 I N -3.797 116.519 120.570 -0.423 0.000 3.947 463 I HA 0.425 4.585 4.170 -0.017 0.000 0.327 463 I C 0.022 176.082 176.117 -0.096 0.000 1.519 463 I CA -0.762 60.368 61.300 -0.283 0.000 1.122 463 I CB 0.807 38.499 38.000 -0.512 0.000 1.146 463 I HN -0.222 nan 8.210 nan 0.000 0.442 464 A N 3.653 126.403 122.820 -0.118 0.000 2.548 464 A HA 0.360 4.670 4.320 -0.017 0.000 0.247 464 A C -2.101 175.412 177.584 -0.118 0.000 1.067 464 A CA -0.625 51.336 52.037 -0.126 0.000 0.757 464 A CB -0.525 18.427 19.000 -0.080 0.000 0.996 464 A HN 0.329 nan 8.150 nan 0.000 0.504 465 P HA 0.201 nan 4.420 nan 0.000 0.206 465 P C -1.141 175.939 177.300 -0.366 0.000 1.854 465 P CA -0.259 62.799 63.100 -0.070 0.000 0.969 465 P CB -0.347 31.420 31.700 0.112 0.000 1.843 466 Y N 1.226 121.383 120.300 -0.239 0.000 2.730 466 Y HA -0.012 4.528 4.550 -0.017 0.000 0.354 466 Y C 2.023 177.880 175.900 -0.072 0.000 1.139 466 Y CA 0.448 58.391 58.100 -0.262 0.000 1.516 466 Y CB -0.365 37.964 38.460 -0.218 0.000 1.204 466 Y HN 0.142 nan 8.280 nan 0.000 0.520 467 N N 2.838 121.529 118.700 -0.015 0.000 2.104 467 N HA -0.230 4.500 4.740 -0.017 0.000 0.190 467 N C 1.933 177.474 175.510 0.051 0.000 1.024 467 N CA 1.675 54.742 53.050 0.029 0.000 0.853 467 N CB 0.066 38.510 38.487 -0.072 0.000 1.008 467 N HN 0.676 nan 8.380 nan 0.000 0.424 468 A N -0.861 121.993 122.820 0.057 0.000 1.898 468 A HA -0.124 4.186 4.320 -0.017 0.000 0.216 468 A C 2.175 179.821 177.584 0.104 0.000 1.181 468 A CA 1.235 53.302 52.037 0.050 0.000 0.620 468 A CB -1.168 17.855 19.000 0.037 0.000 0.819 468 A HN 0.589 nan 8.150 nan 0.000 0.442 469 Y N 1.152 121.478 120.300 0.044 0.000 2.114 469 Y HA -0.213 4.327 4.550 -0.016 0.000 0.284 469 Y C 2.699 178.694 175.900 0.157 0.000 1.143 469 Y CA 2.556 60.699 58.100 0.072 0.000 1.135 469 Y CB -0.501 37.971 38.460 0.020 0.000 0.980 469 Y HN 0.311 nan 8.280 nan 0.000 0.499 470 T N 0.429 115.209 114.554 0.376 0.000 2.701 470 T HA -0.139 4.202 4.350 -0.017 0.000 0.263 470 T C 1.570 176.443 174.700 0.289 0.000 1.040 470 T CA 1.607 63.930 62.100 0.372 0.000 1.147 470 T CB -0.178 68.903 68.868 0.355 0.000 0.865 470 T HN 0.335 nan 8.240 nan 0.000 0.426 471 E N 0.828 121.112 120.200 0.140 0.000 2.112 471 E HA 0.043 4.383 4.350 -0.017 0.000 0.190 471 E C 2.577 179.193 176.600 0.025 0.000 0.979 471 E CA 0.870 57.270 56.400 0.000 0.000 0.814 471 E CB -0.803 28.525 29.700 -0.621 0.000 0.762 471 E HN 0.550 nan 8.360 nan 0.000 0.460 472 G N 1.144 109.957 108.800 0.022 0.000 2.422 472 G HA2 -0.250 3.700 3.960 -0.017 0.000 0.218 472 G HA3 -0.250 3.700 3.960 -0.017 0.000 0.218 472 G C 1.364 176.275 174.900 0.017 0.000 1.146 472 G CA 0.580 45.706 45.100 0.042 0.000 0.769 472 G HN 0.328 nan 8.290 nan 0.000 0.547 473 W N 1.774 122.993 121.300 -0.136 0.000 2.355 473 W HA -0.072 4.578 4.660 -0.016 0.000 0.309 473 W C 2.414 178.925 176.519 -0.013 0.000 1.206 473 W CA 1.965 59.232 57.345 -0.131 0.000 1.284 473 W CB -0.408 28.862 29.460 -0.316 0.000 1.145 473 W HN 0.307 nan 8.180 nan 0.000 0.502 474 A N 0.783 123.447 122.820 -0.260 0.000 1.930 474 A HA -0.193 4.117 4.320 -0.017 0.000 0.217 474 A C 1.956 179.374 177.584 -0.277 0.000 1.175 474 A CA 1.649 53.389 52.037 -0.496 0.000 0.627 474 A CB -1.140 17.219 19.000 -1.069 0.000 0.815 474 A HN 0.331 nan 8.150 nan 0.000 0.443 475 L N -1.522 119.687 121.223 -0.025 0.000 2.093 475 L HA -0.116 4.214 4.340 -0.017 0.000 0.208 475 L C 2.287 179.141 176.870 -0.027 0.000 1.085 475 L CA 2.196 57.093 54.840 0.094 0.000 0.755 475 L CB -0.927 41.257 42.059 0.208 0.000 0.904 475 L HN 0.561 nan 8.230 nan 0.000 0.435 476 Y N -0.490 119.668 120.300 -0.235 0.000 2.165 476 Y HA -0.278 4.263 4.550 -0.015 0.000 0.286 476 Y C 2.592 178.266 175.900 -0.376 0.000 1.155 476 Y CA 1.941 59.870 58.100 -0.285 0.000 1.164 476 Y CB -0.489 37.772 38.460 -0.332 0.000 0.978 476 Y HN 0.206 nan 8.280 nan 0.000 0.513 477 S N 0.331 115.619 115.700 -0.686 0.000 2.374 477 S HA -0.254 4.206 4.470 -0.017 0.000 0.227 477 S C 1.751 176.153 174.600 -0.331 0.000 1.037 477 S CA 1.766 59.599 58.200 -0.612 0.000 1.024 477 S CB -0.345 62.548 63.200 -0.511 0.000 0.861 477 S HN 0.627 nan 8.310 nan 0.000 0.456 478 E N 0.565 120.657 120.200 -0.179 0.000 2.110 478 E HA -0.213 4.127 4.350 -0.017 0.000 0.193 478 E C 2.267 178.865 176.600 -0.002 0.000 0.988 478 E CA 0.986 57.392 56.400 0.010 0.000 0.804 478 E CB -0.111 29.640 29.700 0.085 0.000 0.745 478 E HN 0.557 nan 8.360 nan 0.000 0.458 479 Q N 0.652 120.375 119.800 -0.128 0.000 2.096 479 Q HA -0.113 4.217 4.340 -0.017 0.000 0.197 479 Q C 2.237 178.172 176.000 -0.109 0.000 0.964 479 Q CA 0.924 56.666 55.803 -0.102 0.000 0.838 479 Q CB 0.234 28.885 28.738 -0.146 0.000 0.906 479 Q HN 0.108 nan 8.270 nan 0.000 0.444 480 V N 1.347 121.063 119.914 -0.329 0.000 2.392 480 V HA -0.304 3.806 4.120 -0.017 0.000 0.249 480 V C 2.396 178.426 176.094 -0.107 0.000 1.059 480 V CA 1.803 63.968 62.300 -0.224 0.000 1.051 480 V CB -1.079 30.584 31.823 -0.266 0.000 0.658 480 V HN 0.529 nan 8.190 nan 0.000 0.455 481 A N -0.873 121.850 122.820 -0.161 0.000 1.908 481 A HA -0.295 4.015 4.320 -0.017 0.000 0.218 481 A C 2.145 179.677 177.584 -0.085 0.000 1.181 481 A CA 2.200 54.068 52.037 -0.281 0.000 0.627 481 A CB -0.787 17.859 19.000 -0.591 0.000 0.818 481 A HN 0.668 nan 8.150 nan 0.000 0.445 482 Y N 0.929 121.264 120.300 0.060 0.000 2.128 482 Y HA -0.217 4.322 4.550 -0.018 0.000 0.284 482 Y C 2.156 178.082 175.900 0.044 0.000 1.154 482 Y CA 2.329 60.529 58.100 0.166 0.000 1.149 482 Y CB -0.329 38.194 38.460 0.104 0.000 0.976 482 Y HN 0.472 nan 8.280 nan 0.000 0.505 483 E N 0.016 120.231 120.200 0.026 0.000 2.333 483 E HA -0.153 4.187 4.350 -0.017 0.000 0.198 483 E C 1.748 178.287 176.600 -0.102 0.000 1.007 483 E CA 0.976 57.352 56.400 -0.041 0.000 0.845 483 E CB -0.169 29.559 29.700 0.047 0.000 0.766 483 E HN 0.522 nan 8.360 nan 0.000 0.507 484 L N -0.626 120.528 121.223 -0.115 0.000 2.592 484 L HA 0.161 4.491 4.340 -0.017 0.000 0.227 484 L C 1.137 177.914 176.870 -0.154 0.000 1.127 484 L CA 0.236 55.011 54.840 -0.108 0.000 0.884 484 L CB 0.340 42.340 42.059 -0.099 0.000 1.065 484 L HN 0.266 nan 8.230 nan 0.000 0.457 485 G N -0.638 108.024 108.800 -0.230 0.000 2.132 485 G HA2 -0.261 3.689 3.960 -0.017 0.000 0.228 485 G HA3 -0.261 3.689 3.960 -0.017 0.000 0.228 485 G C 0.737 175.518 174.900 -0.199 0.000 1.000 485 G CA 0.085 45.050 45.100 -0.226 0.000 0.693 485 G HN 0.066 nan 8.290 nan 0.000 0.515 486 M N -0.832 118.614 119.600 -0.258 0.000 2.557 486 M HA 0.184 4.654 4.480 -0.017 0.000 0.259 486 M C 1.363 177.389 176.300 -0.455 0.000 1.086 486 M CA 0.830 55.917 55.300 -0.354 0.000 1.096 486 M CB -0.667 31.617 32.600 -0.527 0.000 1.424 486 M HN 0.431 nan 8.290 nan 0.000 0.488 487 Y N 0.062 120.343 120.300 -0.031 0.000 2.607 487 Y HA 0.268 4.806 4.550 -0.019 0.000 0.266 487 Y C 0.761 176.662 175.900 0.001 0.000 1.178 487 Y CA -0.887 57.234 58.100 0.035 0.000 1.226 487 Y CB -0.338 38.216 38.460 0.156 0.000 1.144 487 Y HN 0.236 nan 8.280 nan 0.000 0.528 488 E N 1.956 122.172 120.200 0.027 0.000 2.558 488 E HA -0.132 4.208 4.350 -0.017 0.000 0.255 488 E C 0.048 176.684 176.600 0.060 0.000 0.968 488 E CA 0.319 56.730 56.400 0.019 0.000 0.939 488 E CB 0.139 29.827 29.700 -0.021 0.000 0.921 488 E HN 0.415 nan 8.360 nan 0.000 0.477 489 N N 3.383 122.123 118.700 0.066 0.000 2.741 489 N HA -0.223 4.507 4.740 -0.017 0.000 0.250 489 N C -1.158 174.422 175.510 0.117 0.000 1.115 489 N CA 1.467 54.564 53.050 0.078 0.000 0.724 489 N CB -0.952 37.575 38.487 0.067 0.000 1.090 489 N HN 0.576 nan 8.380 nan 0.000 0.558 490 D N -1.165 119.320 120.400 0.141 0.000 2.849 490 D HA 0.226 4.856 4.640 -0.017 0.000 0.314 490 D C -1.630 174.766 176.300 0.160 0.000 1.210 490 D CA -1.287 52.833 54.000 0.200 0.000 0.756 490 D CB 0.849 41.798 40.800 0.249 0.000 1.222 490 D HN -0.008 nan 8.370 nan 0.000 0.521 491 P HA -0.083 nan 4.420 nan 0.000 0.218 491 P C 1.391 178.497 177.300 -0.325 0.000 1.149 491 P CA 0.646 63.623 63.100 -0.205 0.000 0.817 491 P CB 0.102 31.564 31.700 -0.397 0.000 0.785 492 F N 0.685 120.631 119.950 -0.006 0.000 2.206 492 F HA 0.091 4.609 4.527 -0.014 0.000 0.298 492 F C 2.755 178.495 175.800 -0.100 0.000 1.090 492 F CA 1.465 59.370 58.000 -0.159 0.000 1.323 492 F CB -1.714 37.179 39.000 -0.177 0.000 1.028 492 F HN -0.052 nan 8.300 nan 0.000 0.492 493 G N -0.548 108.398 108.800 0.243 0.000 2.422 493 G HA2 -0.310 3.640 3.960 -0.017 0.000 0.218 493 G HA3 -0.310 3.640 3.960 -0.017 0.000 0.218 493 G C 1.349 176.214 174.900 -0.058 0.000 1.146 493 G CA 1.259 46.520 45.100 0.270 0.000 0.769 493 G HN 0.302 nan 8.290 nan 0.000 0.547 494 D N 0.445 120.709 120.400 -0.226 0.000 2.117 494 D HA -0.061 4.569 4.640 -0.017 0.000 0.197 494 D C 2.596 178.672 176.300 -0.374 0.000 0.987 494 D CA 0.559 54.239 54.000 -0.534 0.000 0.829 494 D CB -0.291 40.346 40.800 -0.271 0.000 0.961 494 D HN 0.305 nan 8.370 nan 0.000 0.460 495 L N -0.245 120.813 121.223 -0.275 0.000 2.079 495 L HA -0.057 4.273 4.340 -0.017 0.000 0.210 495 L C 2.547 179.301 176.870 -0.193 0.000 1.081 495 L CA 1.298 55.982 54.840 -0.260 0.000 0.752 495 L CB -0.645 41.221 42.059 -0.321 0.000 0.896 495 L HN 0.156 nan 8.230 nan 0.000 0.433 496 G N -0.340 108.398 108.800 -0.103 0.000 2.418 496 G HA2 -0.283 3.667 3.960 -0.017 0.000 0.217 496 G HA3 -0.283 3.667 3.960 -0.017 0.000 0.217 496 G C 1.720 176.603 174.900 -0.028 0.000 1.158 496 G CA 0.689 45.822 45.100 0.055 0.000 0.771 496 G HN 0.286 nan 8.290 nan 0.000 0.545 497 R N -0.000 120.419 120.500 -0.134 0.000 2.083 497 R HA 0.033 4.363 4.340 -0.017 0.000 0.237 497 R C 2.488 178.715 176.300 -0.123 0.000 1.137 497 R CA 1.229 57.245 56.100 -0.140 0.000 0.951 497 R CB -0.384 29.730 30.300 -0.309 0.000 0.851 497 R HN 0.395 nan 8.270 nan 0.000 0.434 498 L N 0.500 121.618 121.223 -0.174 0.000 2.093 498 L HA -0.137 4.193 4.340 -0.017 0.000 0.208 498 L C 2.861 179.690 176.870 -0.068 0.000 1.085 498 L CA 1.302 56.059 54.840 -0.137 0.000 0.755 498 L CB -0.469 41.482 42.059 -0.179 0.000 0.904 498 L HN 0.394 nan 8.230 nan 0.000 0.435 499 Q N 0.222 119.989 119.800 -0.054 0.000 2.096 499 Q HA -0.244 4.086 4.340 -0.017 0.000 0.204 499 Q C 2.273 178.308 176.000 0.059 0.000 0.982 499 Q CA 1.851 57.658 55.803 0.005 0.000 0.850 499 Q CB -0.055 28.693 28.738 0.016 0.000 0.901 499 Q HN 0.532 nan 8.270 nan 0.000 0.422 500 A N 0.605 123.440 122.820 0.025 0.000 1.930 500 A HA -0.212 4.098 4.320 -0.017 0.000 0.217 500 A C 1.877 179.513 177.584 0.087 0.000 1.175 500 A CA 1.500 53.554 52.037 0.028 0.000 0.627 500 A CB -0.564 18.420 19.000 -0.027 0.000 0.815 500 A HN 0.591 nan 8.150 nan 0.000 0.443 501 E N -0.534 119.695 120.200 0.049 0.000 2.047 501 E HA -0.183 4.157 4.350 -0.017 0.000 0.191 501 E C 1.923 178.565 176.600 0.070 0.000 0.987 501 E CA 1.237 57.669 56.400 0.054 0.000 0.799 501 E CB -0.182 29.521 29.700 0.005 0.000 0.752 501 E HN 0.432 nan 8.360 nan 0.000 0.449 502 L N 0.519 121.776 121.223 0.057 0.000 2.042 502 L HA -0.168 4.162 4.340 -0.017 0.000 0.210 502 L C 2.101 179.023 176.870 0.087 0.000 1.076 502 L CA 1.698 56.569 54.840 0.052 0.000 0.749 502 L CB -0.750 41.329 42.059 0.032 0.000 0.893 502 L HN 0.214 nan 8.230 nan 0.000 0.432 503 F N 0.122 120.068 119.950 -0.007 0.000 2.134 503 F HA -0.222 4.295 4.527 -0.016 0.000 0.299 503 F C 2.473 178.274 175.800 0.001 0.000 1.097 503 F CA 1.589 59.591 58.000 0.004 0.000 1.264 503 F CB -0.092 38.905 39.000 -0.005 0.000 1.001 503 F HN 0.019 nan 8.300 nan 0.000 0.479 504 R N -0.203 120.392 120.500 0.159 0.000 2.148 504 R HA 0.040 4.370 4.340 -0.017 0.000 0.223 504 R C 2.339 178.657 176.300 0.031 0.000 1.088 504 R CA 0.959 57.105 56.100 0.077 0.000 0.985 504 R CB -0.646 29.739 30.300 0.141 0.000 0.880 504 R HN 0.335 nan 8.270 nan 0.000 0.451 505 A N 0.219 123.054 122.820 0.026 0.000 1.898 505 A HA -0.084 4.226 4.320 -0.017 0.000 0.216 505 A C 2.194 179.763 177.584 -0.025 0.000 1.181 505 A CA 1.237 53.279 52.037 0.008 0.000 0.620 505 A CB -0.567 18.442 19.000 0.016 0.000 0.819 505 A HN 0.102 nan 8.150 nan 0.000 0.442 506 V N 0.291 120.177 119.914 -0.046 0.000 2.380 506 V HA -0.325 3.785 4.120 -0.017 0.000 0.251 506 V C 2.618 178.650 176.094 -0.103 0.000 1.063 506 V CA 2.333 64.613 62.300 -0.032 0.000 1.055 506 V CB -0.885 30.872 31.823 -0.109 0.000 0.657 506 V HN 0.528 nan 8.190 nan 0.000 0.455 507 R N -0.483 119.899 120.500 -0.196 0.000 2.117 507 R HA -0.161 4.169 4.340 -0.017 0.000 0.243 507 R C 2.276 178.467 176.300 -0.181 0.000 1.143 507 R CA 1.535 57.477 56.100 -0.263 0.000 0.968 507 R CB -0.454 29.690 30.300 -0.260 0.000 0.863 507 R HN 0.448 nan 8.270 nan 0.000 0.444 508 L N 0.068 121.234 121.223 -0.095 0.000 2.046 508 L HA -0.184 4.146 4.340 -0.017 0.000 0.208 508 L C 2.371 179.163 176.870 -0.129 0.000 1.077 508 L CA 1.106 55.908 54.840 -0.064 0.000 0.747 508 L CB -0.478 41.559 42.059 -0.036 0.000 0.896 508 L HN 0.067 nan 8.230 nan 0.000 0.432 509 V N -0.216 119.568 119.914 -0.217 0.000 2.323 509 V HA -0.199 3.911 4.120 -0.017 0.000 0.244 509 V C 2.453 178.252 176.094 -0.491 0.000 1.041 509 V CA 1.711 63.741 62.300 -0.451 0.000 1.025 509 V CB -0.271 31.294 31.823 -0.430 0.000 0.656 509 V HN 0.433 nan 8.190 nan 0.000 0.451 510 V N -1.227 118.483 119.914 -0.339 0.000 2.591 510 V HA -0.153 3.957 4.120 -0.017 0.000 0.249 510 V C 2.003 177.942 176.094 -0.257 0.000 1.053 510 V CA 2.334 64.429 62.300 -0.341 0.000 1.068 510 V CB -0.722 31.112 31.823 0.018 0.000 0.689 510 V HN 0.563 nan 8.190 nan 0.000 0.462 511 D N 1.686 121.989 120.400 -0.161 0.000 2.103 511 D HA -0.172 4.458 4.640 -0.017 0.000 0.199 511 D C 2.302 178.632 176.300 0.050 0.000 0.978 511 D CA 2.029 56.036 54.000 0.011 0.000 0.829 511 D CB -0.150 40.691 40.800 0.067 0.000 0.981 511 D HN 0.664 nan 8.370 nan 0.000 0.464 512 T N -2.499 112.081 114.554 0.044 0.000 2.821 512 T HA -0.026 4.314 4.350 -0.017 0.000 0.267 512 T C 2.130 176.681 174.700 -0.248 0.000 1.046 512 T CA 1.105 63.248 62.100 0.072 0.000 1.139 512 T CB -1.100 67.866 68.868 0.164 0.000 0.871 512 T HN 0.142 nan 8.240 nan 0.000 0.454 513 G N 2.105 110.578 108.800 -0.546 0.000 2.545 513 G HA2 -0.137 3.813 3.960 -0.017 0.000 0.217 513 G HA3 -0.137 3.813 3.960 -0.017 0.000 0.217 513 G C 1.501 175.978 174.900 -0.705 0.000 1.218 513 G CA 1.027 45.326 45.100 -1.335 0.000 0.787 513 G HN 0.513 nan 8.290 nan 0.000 0.571 514 L N -0.694 120.272 121.223 -0.428 0.000 2.017 514 L HA -0.081 4.249 4.340 -0.017 0.000 0.208 514 L C 2.731 179.486 176.870 -0.192 0.000 1.073 514 L CA 1.247 55.941 54.840 -0.242 0.000 0.745 514 L CB -0.362 41.434 42.059 -0.438 0.000 0.894 514 L HN 0.255 nan 8.230 nan 0.000 0.432 515 H N -2.327 116.646 119.070 -0.162 0.000 2.562 515 H HA 0.009 4.555 4.556 -0.017 0.000 0.267 515 H C 1.226 176.410 175.328 -0.240 0.000 0.959 515 H CA 1.208 57.081 56.048 -0.292 0.000 1.204 515 H CB 0.568 29.746 29.762 -0.974 0.000 1.430 515 H HN 0.400 nan 8.280 nan 0.000 0.545 516 D N -0.569 119.746 120.400 -0.141 0.000 2.602 516 D HA -0.010 4.620 4.640 -0.017 0.000 0.284 516 D C 1.520 177.699 176.300 -0.202 0.000 1.065 516 D CA 0.101 54.052 54.000 -0.082 0.000 0.923 516 D CB 0.566 41.388 40.800 0.036 0.000 1.373 516 D HN -0.154 nan 8.370 nan 0.000 0.492 517 K N 0.887 121.137 120.400 -0.250 0.000 2.487 517 K HA 0.181 4.491 4.320 -0.017 0.000 0.192 517 K C 0.103 176.614 176.600 -0.148 0.000 1.027 517 K CA 0.089 56.250 56.287 -0.210 0.000 1.054 517 K CB 0.143 32.509 32.500 -0.223 0.000 0.824 517 K HN 0.217 nan 8.250 nan 0.000 0.510 518 R N -0.352 119.987 120.500 -0.268 0.000 3.651 518 R HA -0.142 4.188 4.340 -0.017 0.000 0.292 518 R C -0.854 175.523 176.300 0.128 0.000 1.161 518 R CA 0.309 56.232 56.100 -0.294 0.000 0.787 518 R CB -2.218 27.591 30.300 -0.818 0.000 1.249 518 R HN 0.116 nan 8.270 nan 0.000 0.476 519 W N 1.698 122.945 121.300 -0.088 0.000 2.231 519 W HA 0.038 4.688 4.660 -0.017 0.000 0.341 519 W C 1.613 178.145 176.519 0.022 0.000 1.298 519 W CA 0.477 57.799 57.345 -0.038 0.000 1.266 519 W CB -0.036 29.401 29.460 -0.038 0.000 1.172 519 W HN 0.113 nan 8.180 nan 0.000 0.568 520 T N -0.117 114.570 114.554 0.222 0.000 2.828 520 T HA 0.191 4.531 4.350 -0.017 0.000 0.290 520 T C 1.408 176.201 174.700 0.155 0.000 1.019 520 T CA -0.566 61.627 62.100 0.155 0.000 1.031 520 T CB 1.106 70.023 68.868 0.082 0.000 1.001 520 T HN 0.575 nan 8.240 nan 0.000 0.531 521 R N 0.524 121.083 120.500 0.099 0.000 2.103 521 R HA -0.198 4.132 4.340 -0.017 0.000 0.242 521 R C 1.825 178.175 176.300 0.083 0.000 1.142 521 R CA 2.206 58.351 56.100 0.076 0.000 0.960 521 R CB -0.415 29.902 30.300 0.029 0.000 0.858 521 R HN 0.794 nan 8.270 nan 0.000 0.439 522 E N 0.374 120.610 120.200 0.061 0.000 2.107 522 E HA -0.141 4.199 4.350 -0.017 0.000 0.191 522 E C 2.112 178.744 176.600 0.055 0.000 0.982 522 E CA 1.287 57.714 56.400 0.046 0.000 0.809 522 E CB -0.019 29.694 29.700 0.022 0.000 0.756 522 E HN 0.491 nan 8.360 nan 0.000 0.459 523 Q N -0.023 119.807 119.800 0.050 0.000 2.079 523 Q HA -0.038 4.292 4.340 -0.017 0.000 0.200 523 Q C 2.172 178.262 176.000 0.149 0.000 0.974 523 Q CA 1.405 57.205 55.803 -0.005 0.000 0.840 523 Q CB -0.169 28.465 28.738 -0.173 0.000 0.898 523 Q HN 0.307 nan 8.270 nan 0.000 0.430 524 A N 0.788 123.798 122.820 0.317 0.000 1.898 524 A HA -0.160 4.150 4.320 -0.017 0.000 0.216 524 A C 2.043 179.809 177.584 0.304 0.000 1.181 524 A CA 1.061 53.373 52.037 0.459 0.000 0.620 524 A CB -0.600 18.612 19.000 0.354 0.000 0.819 524 A HN 0.296 nan 8.150 nan 0.000 0.442 525 I N -0.187 120.492 120.570 0.181 0.000 2.163 525 I HA -0.262 3.898 4.170 -0.017 0.000 0.243 525 I C 2.745 178.933 176.117 0.118 0.000 1.085 525 I CA 1.588 62.961 61.300 0.122 0.000 1.347 525 I CB -0.343 37.700 38.000 0.071 0.000 1.044 525 I HN 0.235 nan 8.210 nan 0.000 0.408 526 S N -0.185 115.579 115.700 0.107 0.000 2.359 526 S HA -0.254 4.206 4.470 -0.017 0.000 0.224 526 S C 1.952 176.610 174.600 0.097 0.000 1.035 526 S CA 1.520 59.765 58.200 0.075 0.000 1.018 526 S CB -0.516 62.711 63.200 0.045 0.000 0.876 526 S HN 0.430 nan 8.310 nan 0.000 0.448 527 Y N 1.731 122.069 120.300 0.063 0.000 2.114 527 Y HA -0.133 4.408 4.550 -0.016 0.000 0.284 527 Y C 2.464 178.417 175.900 0.088 0.000 1.143 527 Y CA 1.973 60.130 58.100 0.094 0.000 1.135 527 Y CB -0.483 38.121 38.460 0.240 0.000 0.980 527 Y HN 0.223 nan 8.280 nan 0.000 0.499 528 M N -0.953 118.729 119.600 0.137 0.000 2.117 528 M HA -0.222 4.248 4.480 -0.017 0.000 0.262 528 M C 2.234 178.516 176.300 -0.030 0.000 1.065 528 M CA 2.218 57.526 55.300 0.012 0.000 1.114 528 M CB -0.256 32.387 32.600 0.072 0.000 1.361 528 M HN 0.240 nan 8.290 nan 0.000 0.408 529 S N 0.704 116.415 115.700 0.018 0.000 2.353 529 S HA -0.201 4.259 4.470 -0.017 0.000 0.222 529 S C 1.614 176.200 174.600 -0.023 0.000 1.035 529 S CA 1.950 60.164 58.200 0.022 0.000 1.025 529 S CB -0.460 62.759 63.200 0.031 0.000 0.902 529 S HN 0.591 nan 8.310 nan 0.000 0.440 530 E N 0.427 120.587 120.200 -0.067 0.000 2.110 530 E HA -0.136 4.204 4.350 -0.017 0.000 0.193 530 E C 2.339 178.856 176.600 -0.139 0.000 0.988 530 E CA 0.855 57.200 56.400 -0.092 0.000 0.804 530 E CB -0.025 29.615 29.700 -0.101 0.000 0.745 530 E HN 0.341 nan 8.360 nan 0.000 0.458 531 Q N -0.626 119.028 119.800 -0.244 0.000 2.212 531 Q HA -0.042 4.288 4.340 -0.017 0.000 0.199 531 Q C 2.213 178.147 176.000 -0.110 0.000 0.950 531 Q CA 1.650 57.303 55.803 -0.251 0.000 0.863 531 Q CB 0.218 28.674 28.738 -0.470 0.000 0.944 531 Q HN 0.408 nan 8.270 nan 0.000 0.465 532 T N -4.513 110.011 114.554 -0.050 0.000 2.990 532 T HA 0.299 4.639 4.350 -0.017 0.000 0.250 532 T C 1.312 176.052 174.700 0.068 0.000 1.041 532 T CA 0.693 62.823 62.100 0.050 0.000 1.010 532 T CB 0.474 69.453 68.868 0.186 0.000 1.003 532 T HN 0.324 nan 8.240 nan 0.000 0.499 533 G N 1.514 110.340 108.800 0.043 0.000 2.168 533 G HA2 -0.243 3.707 3.960 -0.017 0.000 0.257 533 G HA3 -0.243 3.707 3.960 -0.017 0.000 0.257 533 G C 0.111 175.060 174.900 0.082 0.000 0.997 533 G CA 0.407 45.538 45.100 0.051 0.000 0.708 533 G HN 0.731 nan 8.290 nan 0.000 0.520 534 T N 0.888 115.511 114.554 0.114 0.000 2.909 534 T HA 0.646 4.986 4.350 -0.017 0.000 0.289 534 T C 0.882 175.636 174.700 0.091 0.000 1.005 534 T CA 0.304 62.477 62.100 0.123 0.000 1.084 534 T CB 1.636 70.643 68.868 0.232 0.000 0.975 534 T HN 1.345 nan 8.240 nan 0.000 0.509 535 A N 1.692 124.551 122.820 0.065 0.000 2.498 535 A HA 0.147 4.457 4.320 -0.017 0.000 0.239 535 A C 1.484 179.098 177.584 0.051 0.000 1.068 535 A CA -0.305 51.761 52.037 0.049 0.000 0.766 535 A CB -0.108 18.911 19.000 0.032 0.000 1.003 535 A HN 1.066 nan 8.150 nan 0.000 0.497 536 E N 1.536 121.760 120.200 0.040 0.000 2.118 536 E HA -0.217 4.123 4.350 -0.017 0.000 0.195 536 E C 1.988 178.605 176.600 0.028 0.000 0.992 536 E CA 1.805 58.227 56.400 0.037 0.000 0.804 536 E CB -0.041 29.675 29.700 0.027 0.000 0.741 536 E HN 0.905 nan 8.360 nan 0.000 0.458 537 S N 0.342 116.053 115.700 0.019 0.000 2.406 537 S HA -0.138 4.322 4.470 -0.017 0.000 0.228 537 S C 1.456 176.058 174.600 0.003 0.000 1.020 537 S CA 1.145 59.348 58.200 0.006 0.000 0.965 537 S CB -0.090 63.110 63.200 0.000 0.000 0.798 537 S HN 0.243 nan 8.310 nan 0.000 0.488 538 D N 1.740 122.150 120.400 0.017 0.000 2.123 538 D HA -0.001 4.629 4.640 -0.017 0.000 0.200 538 D C 2.182 178.515 176.300 0.054 0.000 0.976 538 D CA 0.981 54.994 54.000 0.022 0.000 0.831 538 D CB -0.476 40.336 40.800 0.020 0.000 0.974 538 D HN 0.342 nan 8.370 nan 0.000 0.469 539 V N 1.193 121.156 119.914 0.081 0.000 2.343 539 V HA -0.198 3.912 4.120 -0.017 0.000 0.247 539 V C 2.745 178.850 176.094 0.019 0.000 1.051 539 V CA 0.947 63.303 62.300 0.094 0.000 1.036 539 V CB -0.482 31.405 31.823 0.107 0.000 0.654 539 V HN 0.036 nan 8.190 nan 0.000 0.451 540 V N 0.425 120.341 119.914 0.003 0.000 2.287 540 V HA -0.310 3.800 4.120 -0.017 0.000 0.248 540 V C 2.716 178.766 176.094 -0.072 0.000 1.053 540 V CA 2.255 64.539 62.300 -0.026 0.000 1.027 540 V CB -1.120 30.692 31.823 -0.020 0.000 0.646 540 V HN 0.579 nan 8.190 nan 0.000 0.447 541 A N -0.772 122.004 122.820 -0.072 0.000 1.930 541 A HA -0.178 4.132 4.320 -0.017 0.000 0.217 541 A C 2.201 179.667 177.584 -0.197 0.000 1.175 541 A CA 1.529 53.498 52.037 -0.114 0.000 0.627 541 A CB -0.364 18.584 19.000 -0.087 0.000 0.815 541 A HN 0.551 nan 8.150 nan 0.000 0.443 542 E N 0.049 120.131 120.200 -0.196 0.000 2.031 542 E HA -0.153 4.187 4.350 -0.017 0.000 0.193 542 E C 2.040 178.106 176.600 -0.891 0.000 0.994 542 E CA 1.039 57.174 56.400 -0.441 0.000 0.800 542 E CB -0.426 29.186 29.700 -0.147 0.000 0.752 542 E HN 0.518 nan 8.360 nan 0.000 0.447 543 I N 1.695 121.986 120.570 -0.465 0.000 2.208 543 I HA -0.226 3.934 4.170 -0.017 0.000 0.245 543 I C 2.140 178.121 176.117 -0.226 0.000 1.097 543 I CA 1.278 62.404 61.300 -0.290 0.000 1.363 543 I CB -1.139 36.837 38.000 -0.039 0.000 1.051 543 I HN 0.167 nan 8.210 nan 0.000 0.413 544 E N 0.166 120.243 120.200 -0.204 0.000 2.150 544 E HA -0.223 4.117 4.350 -0.017 0.000 0.193 544 E C 2.267 178.749 176.600 -0.196 0.000 0.985 544 E CA 0.711 57.018 56.400 -0.154 0.000 0.814 544 E CB -0.190 29.431 29.700 -0.132 0.000 0.752 544 E HN 0.423 nan 8.360 nan 0.000 0.466 545 R N 0.559 120.866 120.500 -0.322 0.000 2.083 545 R HA -0.198 4.132 4.340 -0.017 0.000 0.237 545 R C 1.887 178.126 176.300 -0.101 0.000 1.137 545 R CA 1.580 57.435 56.100 -0.408 0.000 0.951 545 R CB -0.276 29.760 30.300 -0.440 0.000 0.851 545 R HN 0.168 nan 8.270 nan 0.000 0.434 546 Y N 0.624 120.968 120.300 0.074 0.000 2.224 546 Y HA -0.115 4.424 4.550 -0.017 0.000 0.289 546 Y C 2.333 178.450 175.900 0.361 0.000 1.146 546 Y CA 0.979 59.228 58.100 0.248 0.000 1.182 546 Y CB -0.670 37.907 38.460 0.194 0.000 0.983 546 Y HN 0.087 nan 8.280 nan 0.000 0.524 547 M N -0.707 119.076 119.600 0.305 0.000 2.159 547 M HA -0.142 4.329 4.480 -0.017 0.000 0.263 547 M C 2.336 178.863 176.300 0.378 0.000 1.063 547 M CA 1.755 57.227 55.300 0.287 0.000 1.110 547 M CB -0.311 32.335 32.600 0.077 0.000 1.374 547 M HN 0.245 nan 8.290 nan 0.000 0.411 548 A N -1.252 121.724 122.820 0.260 0.000 2.021 548 A HA -0.056 4.254 4.320 -0.017 0.000 0.216 548 A C 0.546 178.449 177.584 0.531 0.000 1.163 548 A CA 0.547 52.800 52.037 0.359 0.000 0.676 548 A CB -0.106 18.924 19.000 0.049 0.000 0.818 548 A HN 0.619 nan 8.150 nan 0.000 0.453 549 W N 0.554 122.045 121.300 0.319 0.000 1.689 549 W HA 0.361 5.011 4.660 -0.017 0.000 0.294 549 W C -2.969 173.686 176.519 0.228 0.000 0.824 549 W CA -3.572 53.925 57.345 0.254 0.000 2.398 549 W CB -0.876 28.773 29.460 0.316 0.000 2.375 549 W HN 0.100 nan 8.180 nan 0.000 0.478 550 P HA 0.091 nan 4.420 nan 0.000 0.260 550 P C 1.201 178.637 177.300 0.226 0.000 1.172 550 P CA 1.991 65.120 63.100 0.049 0.000 0.760 550 P CB 0.626 32.123 31.700 -0.338 0.000 0.773 551 G N 2.474 111.470 108.800 0.328 0.000 2.268 551 G HA2 -0.328 3.622 3.960 -0.017 0.000 0.240 551 G HA3 -0.328 3.622 3.960 -0.017 0.000 0.240 551 G C 1.217 176.205 174.900 0.146 0.000 1.010 551 G CA 0.339 45.545 45.100 0.177 0.000 0.618 551 G HN 0.552 nan 8.290 nan 0.000 0.516 552 Q N 0.992 120.921 119.800 0.215 0.000 2.124 552 Q HA 0.076 4.406 4.340 -0.017 0.000 0.202 552 Q C 2.736 178.956 176.000 0.367 0.000 0.977 552 Q CA 2.399 58.340 55.803 0.230 0.000 0.850 552 Q CB -0.572 28.333 28.738 0.279 0.000 0.901 552 Q HN 1.139 nan 8.270 nan 0.000 0.429 553 A N 0.277 123.312 122.820 0.358 0.000 2.168 553 A HA -0.011 4.299 4.320 -0.017 0.000 0.215 553 A C 2.046 179.806 177.584 0.295 0.000 1.152 553 A CA 0.413 52.633 52.037 0.305 0.000 0.716 553 A CB -0.361 18.471 19.000 -0.281 0.000 0.794 553 A HN 0.404 nan 8.150 nan 0.000 0.465 554 L N -1.179 120.166 121.223 0.203 0.000 2.313 554 L HA -0.005 4.325 4.340 -0.017 0.000 0.214 554 L C 2.632 179.592 176.870 0.150 0.000 1.119 554 L CA 0.685 55.610 54.840 0.141 0.000 0.809 554 L CB -0.597 41.502 42.059 0.068 0.000 0.933 554 L HN 0.450 nan 8.230 nan 0.000 0.449 555 G N -0.458 108.421 108.800 0.132 0.000 2.432 555 G HA2 -0.261 3.689 3.960 -0.017 0.000 0.219 555 G HA3 -0.261 3.689 3.960 -0.017 0.000 0.219 555 G C 1.250 176.158 174.900 0.013 0.000 1.135 555 G CA 0.515 45.624 45.100 0.014 0.000 0.767 555 G HN 0.254 nan 8.290 nan 0.000 0.550 556 Y N 0.712 121.103 120.300 0.152 0.000 2.070 556 Y HA -0.033 4.507 4.550 -0.016 0.000 0.279 556 Y C 2.936 178.907 175.900 0.118 0.000 1.134 556 Y CA 1.577 59.777 58.100 0.167 0.000 1.113 556 Y CB -0.087 38.492 38.460 0.197 0.000 0.981 556 Y HN -0.056 nan 8.280 nan 0.000 0.487 557 K N 0.288 120.849 120.400 0.269 0.000 2.062 557 K HA -0.053 4.257 4.320 -0.017 0.000 0.205 557 K C 2.079 178.743 176.600 0.106 0.000 1.051 557 K CA 0.909 57.291 56.287 0.158 0.000 0.941 557 K CB -0.666 31.904 32.500 0.117 0.000 0.719 557 K HN 0.344 nan 8.250 nan 0.000 0.440 558 L N -0.130 121.147 121.223 0.090 0.000 2.083 558 L HA -0.140 4.190 4.340 -0.017 0.000 0.209 558 L C 2.461 179.362 176.870 0.051 0.000 1.083 558 L CA 1.501 56.375 54.840 0.056 0.000 0.752 558 L CB -0.809 41.273 42.059 0.039 0.000 0.899 558 L HN 0.271 nan 8.230 nan 0.000 0.433 559 G N -0.634 108.199 108.800 0.055 0.000 2.402 559 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.216 559 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.216 559 G C 1.633 176.561 174.900 0.047 0.000 1.162 559 G CA 0.564 45.690 45.100 0.043 0.000 0.777 559 G HN 0.196 nan 8.290 nan 0.000 0.539 560 M N 0.024 119.669 119.600 0.075 0.000 2.108 560 M HA 0.020 4.490 4.480 -0.017 0.000 0.261 560 M C 2.494 178.848 176.300 0.091 0.000 1.066 560 M CA 1.319 56.676 55.300 0.096 0.000 1.107 560 M CB -0.220 32.455 32.600 0.125 0.000 1.356 560 M HN 0.217 nan 8.290 nan 0.000 0.406 561 L N 0.152 121.420 121.223 0.074 0.000 2.083 561 L HA -0.227 4.103 4.340 -0.017 0.000 0.209 561 L C 2.513 179.415 176.870 0.053 0.000 1.083 561 L CA 1.142 56.018 54.840 0.061 0.000 0.752 561 L CB -0.637 41.451 42.059 0.048 0.000 0.899 561 L HN 0.268 nan 8.230 nan 0.000 0.433 562 K N 0.933 121.362 120.400 0.048 0.000 2.062 562 K HA -0.083 4.227 4.320 -0.017 0.000 0.205 562 K C 1.846 178.482 176.600 0.060 0.000 1.051 562 K CA 1.386 57.701 56.287 0.046 0.000 0.941 562 K CB -0.294 32.228 32.500 0.037 0.000 0.719 562 K HN 0.143 nan 8.250 nan 0.000 0.440 563 I N 0.572 121.167 120.570 0.042 0.000 2.163 563 I HA -0.310 3.850 4.170 -0.017 0.000 0.243 563 I C 2.134 178.297 176.117 0.076 0.000 1.085 563 I CA 1.275 62.593 61.300 0.029 0.000 1.347 563 I CB -0.280 37.622 38.000 -0.163 0.000 1.044 563 I HN 0.110 nan 8.210 nan 0.000 0.408 564 L N -0.313 120.955 121.223 0.075 0.000 2.083 564 L HA -0.212 4.118 4.340 -0.017 0.000 0.209 564 L C 2.737 179.627 176.870 0.033 0.000 1.083 564 L CA 1.314 56.208 54.840 0.090 0.000 0.752 564 L CB -0.506 41.626 42.059 0.121 0.000 0.899 564 L HN 0.267 nan 8.230 nan 0.000 0.433 565 S N 0.086 115.811 115.700 0.042 0.000 2.368 565 S HA -0.127 4.333 4.470 -0.017 0.000 0.224 565 S C 1.998 176.621 174.600 0.037 0.000 1.029 565 S CA 1.023 59.239 58.200 0.027 0.000 0.988 565 S CB -0.145 63.075 63.200 0.034 0.000 0.838 565 S HN 0.299 nan 8.310 nan 0.000 0.462 566 L N 0.881 122.161 121.223 0.096 0.000 2.046 566 L HA -0.060 4.270 4.340 -0.017 0.000 0.208 566 L C 2.879 179.820 176.870 0.118 0.000 1.077 566 L CA 1.613 56.556 54.840 0.172 0.000 0.747 566 L CB -0.486 41.743 42.059 0.284 0.000 0.896 566 L HN 0.314 nan 8.230 nan 0.000 0.432 567 R N -0.007 120.453 120.500 -0.067 0.000 2.081 567 R HA -0.165 4.165 4.340 -0.017 0.000 0.235 567 R C 2.247 178.324 176.300 -0.372 0.000 1.131 567 R CA 1.278 57.051 56.100 -0.545 0.000 0.960 567 R CB 0.024 29.939 30.300 -0.640 0.000 0.856 567 R HN 0.264 nan 8.270 nan 0.000 0.436 568 E N 0.569 120.642 120.200 -0.212 0.000 2.150 568 E HA -0.199 4.141 4.350 -0.017 0.000 0.193 568 E C 2.001 178.516 176.600 -0.141 0.000 0.985 568 E CA 1.158 57.445 56.400 -0.189 0.000 0.814 568 E CB -0.055 29.580 29.700 -0.109 0.000 0.752 568 E HN 0.525 nan 8.360 nan 0.000 0.466 569 Q N 0.157 119.918 119.800 -0.066 0.000 2.084 569 Q HA -0.081 4.249 4.340 -0.017 0.000 0.202 569 Q C 2.172 178.160 176.000 -0.020 0.000 0.978 569 Q CA 1.459 57.250 55.803 -0.021 0.000 0.844 569 Q CB -0.154 28.605 28.738 0.034 0.000 0.898 569 Q HN 0.224 nan 8.270 nan 0.000 0.426 570 A N 1.428 124.260 122.820 0.020 0.000 1.902 570 A HA -0.215 4.095 4.320 -0.017 0.000 0.217 570 A C 1.908 179.494 177.584 0.003 0.000 1.181 570 A CA 1.536 53.639 52.037 0.111 0.000 0.623 570 A CB -0.292 18.997 19.000 0.480 0.000 0.818 570 A HN 0.176 nan 8.150 nan 0.000 0.443 571 K N -0.208 120.006 120.400 -0.309 0.000 2.057 571 K HA -0.051 4.259 4.320 -0.017 0.000 0.207 571 K C 2.283 178.781 176.600 -0.169 0.000 1.049 571 K CA 1.141 57.176 56.287 -0.421 0.000 0.931 571 K CB -0.335 31.777 32.500 -0.647 0.000 0.714 571 K HN 0.439 nan 8.250 nan 0.000 0.440 572 A N 1.503 124.242 122.820 -0.134 0.000 1.902 572 A HA -0.154 4.156 4.320 -0.017 0.000 0.217 572 A C 2.097 179.647 177.584 -0.058 0.000 1.181 572 A CA 1.230 53.218 52.037 -0.081 0.000 0.623 572 A CB -0.285 18.674 19.000 -0.067 0.000 0.818 572 A HN 0.080 nan 8.150 nan 0.000 0.443 573 R N -0.531 119.936 120.500 -0.055 0.000 2.075 573 R HA 0.039 4.369 4.340 -0.017 0.000 0.232 573 R C 1.921 178.185 176.300 -0.061 0.000 1.126 573 R CA 1.344 57.408 56.100 -0.060 0.000 0.963 573 R CB -0.656 29.598 30.300 -0.077 0.000 0.858 573 R HN 0.602 nan 8.270 nan 0.000 0.435 574 L N -1.095 120.105 121.223 -0.038 0.000 2.416 574 L HA 0.145 4.475 4.340 -0.017 0.000 0.216 574 L C 1.592 178.470 176.870 0.013 0.000 1.098 574 L CA 0.471 55.299 54.840 -0.020 0.000 0.840 574 L CB -0.433 41.642 42.059 0.027 0.000 0.981 574 L HN 0.332 nan 8.230 nan 0.000 0.462 575 G N 2.217 111.022 108.800 0.009 0.000 2.651 575 G HA2 -0.470 3.480 3.960 -0.017 0.000 0.315 575 G HA3 -0.470 3.480 3.960 -0.017 0.000 0.315 575 G C 0.574 175.506 174.900 0.054 0.000 1.258 575 G CA 0.736 45.842 45.100 0.010 0.000 1.002 575 G HN 0.529 nan 8.290 nan 0.000 0.551 576 D N 0.771 121.194 120.400 0.038 0.000 2.363 576 D HA 0.048 4.678 4.640 -0.017 0.000 0.226 576 D C 1.695 178.032 176.300 0.061 0.000 1.020 576 D CA 1.208 55.239 54.000 0.052 0.000 0.892 576 D CB -0.055 40.761 40.800 0.027 0.000 0.900 576 D HN 0.491 nan 8.370 nan 0.000 0.531 577 K N -0.182 120.251 120.400 0.055 0.000 2.444 577 K HA 0.047 4.357 4.320 -0.017 0.000 0.193 577 K C 0.259 176.902 176.600 0.072 0.000 1.024 577 K CA -0.455 55.854 56.287 0.038 0.000 1.077 577 K CB -0.126 32.371 32.500 -0.005 0.000 0.833 577 K HN 0.211 nan 8.250 nan 0.000 0.517 578 F N 2.759 122.706 119.950 -0.005 0.000 2.578 578 F HA -0.044 4.473 4.527 -0.017 0.000 0.376 578 F C -0.068 175.778 175.800 0.075 0.000 1.085 578 F CA -0.083 57.941 58.000 0.039 0.000 1.260 578 F CB 0.457 39.462 39.000 0.008 0.000 1.095 578 F HN -0.063 nan 8.300 nan 0.000 0.573 579 D N 5.713 125.710 120.400 -0.672 0.000 2.505 579 D HA 0.173 4.803 4.640 -0.017 0.000 0.250 579 D C 0.436 176.288 176.300 -0.745 0.000 1.164 579 D CA -0.544 53.172 54.000 -0.474 0.000 0.870 579 D CB 1.236 41.934 40.800 -0.170 0.000 1.160 579 D HN 0.540 nan 8.370 nan 0.000 0.549 580 L N 4.394 125.286 121.223 -0.551 0.000 2.131 580 L HA 0.045 4.375 4.340 -0.017 0.000 0.210 580 L C 2.004 178.603 176.870 -0.453 0.000 1.092 580 L CA 2.249 56.840 54.840 -0.415 0.000 0.759 580 L CB -0.476 41.513 42.059 -0.116 0.000 0.903 580 L HN 0.592 nan 8.230 nan 0.000 0.435 581 A N -0.746 121.899 122.820 -0.293 0.000 1.908 581 A HA -0.251 4.060 4.320 -0.017 0.000 0.218 581 A C 2.173 179.635 177.584 -0.203 0.000 1.181 581 A CA 1.959 53.875 52.037 -0.202 0.000 0.627 581 A CB -0.607 18.338 19.000 -0.092 0.000 0.818 581 A HN 0.613 nan 8.150 nan 0.000 0.445 582 E N -1.536 118.527 120.200 -0.229 0.000 2.106 582 E HA -0.164 4.176 4.350 -0.017 0.000 0.192 582 E C 1.766 177.990 176.600 -0.626 0.000 0.984 582 E CA 1.199 57.408 56.400 -0.319 0.000 0.806 582 E CB -0.274 29.357 29.700 -0.115 0.000 0.750 582 E HN 0.712 nan 8.360 nan 0.000 0.458 583 F N 1.425 120.925 119.950 -0.749 0.000 2.102 583 F HA -0.207 4.310 4.527 -0.017 0.000 0.298 583 F C 1.987 177.583 175.800 -0.339 0.000 1.105 583 F CA 1.906 59.482 58.000 -0.707 0.000 1.239 583 F CB -0.314 38.516 39.000 -0.284 0.000 0.991 583 F HN 0.055 nan 8.300 nan 0.000 0.474 584 H N -0.837 118.098 119.070 -0.225 0.000 2.387 584 H HA -0.169 4.377 4.556 -0.017 0.000 0.299 584 H C 1.715 176.899 175.328 -0.240 0.000 1.090 584 H CA 1.042 56.978 56.048 -0.187 0.000 1.332 584 H CB -0.105 29.560 29.762 -0.161 0.000 1.386 584 H HN 0.256 nan 8.280 nan 0.000 0.516 585 D N 0.092 120.401 120.400 -0.152 0.000 2.117 585 D HA -0.112 4.518 4.640 -0.017 0.000 0.198 585 D C 2.295 178.436 176.300 -0.265 0.000 0.982 585 D CA 0.670 54.571 54.000 -0.164 0.000 0.828 585 D CB -0.226 40.478 40.800 -0.160 0.000 0.967 585 D HN 0.161 nan 8.370 nan 0.000 0.464 586 V N 0.628 120.278 119.914 -0.441 0.000 2.427 586 V HA -0.176 3.934 4.120 -0.017 0.000 0.248 586 V C 2.590 178.483 176.094 -0.335 0.000 1.051 586 V CA 0.942 62.995 62.300 -0.412 0.000 1.048 586 V CB -0.349 31.121 31.823 -0.589 0.000 0.666 586 V HN 0.057 nan 8.190 nan 0.000 0.456 587 V N -0.522 119.136 119.914 -0.427 0.000 2.379 587 V HA -0.159 3.951 4.120 -0.017 0.000 0.245 587 V C 2.116 178.100 176.094 -0.184 0.000 1.044 587 V CA 1.797 63.909 62.300 -0.313 0.000 1.036 587 V CB -0.328 31.254 31.823 -0.402 0.000 0.664 587 V HN 0.422 nan 8.190 nan 0.000 0.453 588 L N -1.131 119.943 121.223 -0.249 0.000 2.253 588 L HA 0.111 4.441 4.340 -0.017 0.000 0.205 588 L C 2.056 178.817 176.870 -0.181 0.000 1.078 588 L CA 0.730 55.417 54.840 -0.255 0.000 0.805 588 L CB -0.185 41.695 42.059 -0.298 0.000 0.963 588 L HN 0.238 nan 8.230 nan 0.000 0.459 589 L N 0.008 121.135 121.223 -0.161 0.000 2.552 589 L HA -0.008 4.322 4.340 -0.017 0.000 0.227 589 L C 1.212 177.999 176.870 -0.139 0.000 1.146 589 L CA 0.320 55.076 54.840 -0.140 0.000 0.858 589 L CB -0.337 41.654 42.059 -0.113 0.000 0.969 589 L HN 0.343 nan 8.230 nan 0.000 0.451 590 N N 0.543 119.151 118.700 -0.153 0.000 2.270 590 N HA 0.147 4.877 4.740 -0.017 0.000 0.198 590 N C 0.867 176.252 175.510 -0.209 0.000 1.117 590 N CA 0.772 53.726 53.050 -0.160 0.000 0.845 590 N CB 0.919 39.317 38.487 -0.149 0.000 0.980 590 N HN 0.323 nan 8.380 nan 0.000 0.486 591 G N 0.824 109.487 108.800 -0.230 0.000 2.795 591 G HA2 -0.110 3.840 3.960 -0.017 0.000 0.664 591 G HA3 -0.110 3.840 3.960 -0.017 0.000 0.664 591 G C -0.429 174.120 174.900 -0.585 0.000 1.381 591 G CA -0.471 44.449 45.100 -0.301 0.000 0.853 591 G HN 0.388 nan 8.290 nan 0.000 0.545 592 A N -0.559 121.855 122.820 -0.676 0.000 2.454 592 A HA 0.742 5.052 4.320 -0.017 0.000 0.260 592 A C 0.854 178.002 177.584 -0.728 0.000 1.106 592 A CA 0.870 52.205 52.037 -1.169 0.000 0.780 592 A CB 0.010 18.784 19.000 -0.377 0.000 1.044 592 A HN 2.419 nan 8.150 nan 0.000 0.498 593 V N -0.315 118.998 119.914 -1.001 0.000 3.188 593 V HA 0.741 4.851 4.120 -0.017 0.000 0.305 593 V C -3.114 172.327 176.094 -1.088 0.000 1.232 593 V CA -2.665 59.068 62.300 -0.945 0.000 1.043 593 V CB 1.631 33.131 31.823 -0.538 0.000 1.068 593 V HN 0.626 nan 8.190 nan 0.000 0.439 594 P HA 0.240 nan 4.420 nan 0.000 0.269 594 P C 0.997 178.118 177.300 -0.298 0.000 1.209 594 P CA -0.241 62.484 63.100 -0.624 0.000 0.776 594 P CB 0.405 31.840 31.700 -0.443 0.000 0.876 595 M N 1.762 121.270 119.600 -0.154 0.000 2.143 595 M HA -0.214 4.256 4.480 -0.017 0.000 0.258 595 M C 1.868 178.131 176.300 -0.062 0.000 1.071 595 M CA 2.204 57.465 55.300 -0.065 0.000 1.088 595 M CB -2.076 30.508 32.600 -0.025 0.000 1.360 595 M HN 0.469 nan 8.290 nan 0.000 0.404 596 A N -0.543 122.227 122.820 -0.083 0.000 1.972 596 A HA -0.050 4.260 4.320 -0.017 0.000 0.219 596 A C 2.448 179.992 177.584 -0.066 0.000 1.169 596 A CA 1.593 53.594 52.037 -0.060 0.000 0.635 596 A CB -0.724 18.239 19.000 -0.062 0.000 0.810 596 A HN 0.324 nan 8.150 nan 0.000 0.446 597 V N -0.497 119.349 119.914 -0.114 0.000 2.407 597 V HA -0.149 3.961 4.120 -0.017 0.000 0.245 597 V C 2.408 178.452 176.094 -0.084 0.000 1.041 597 V CA 1.565 63.796 62.300 -0.115 0.000 1.040 597 V CB -0.659 31.055 31.823 -0.182 0.000 0.671 597 V HN 0.568 nan 8.190 nan 0.000 0.455 598 L N 0.520 121.694 121.223 -0.082 0.000 2.043 598 L HA -0.172 4.158 4.340 -0.017 0.000 0.212 598 L C 2.468 179.350 176.870 0.020 0.000 1.075 598 L CA 2.294 57.118 54.840 -0.027 0.000 0.752 598 L CB -0.743 41.328 42.059 0.020 0.000 0.891 598 L HN 0.313 nan 8.230 nan 0.000 0.432 599 S N -0.571 115.144 115.700 0.025 0.000 2.368 599 S HA -0.193 4.267 4.470 -0.017 0.000 0.224 599 S C 2.028 176.672 174.600 0.073 0.000 1.029 599 S CA 1.300 59.538 58.200 0.063 0.000 0.988 599 S CB -0.452 62.776 63.200 0.047 0.000 0.838 599 S HN 0.512 nan 8.310 nan 0.000 0.462 600 R N 1.685 122.208 120.500 0.039 0.000 2.091 600 R HA -0.108 4.222 4.340 -0.017 0.000 0.238 600 R C 1.625 177.977 176.300 0.087 0.000 1.136 600 R CA 1.601 57.730 56.100 0.048 0.000 0.959 600 R CB -0.286 30.017 30.300 0.006 0.000 0.856 600 R HN 0.282 nan 8.270 nan 0.000 0.437 601 N N 0.108 118.843 118.700 0.059 0.000 2.188 601 N HA -0.113 4.617 4.740 -0.017 0.000 0.184 601 N C 1.799 177.432 175.510 0.204 0.000 1.018 601 N CA 1.220 54.323 53.050 0.088 0.000 0.858 601 N CB -0.272 38.214 38.487 -0.002 0.000 0.989 601 N HN 0.056 nan 8.380 nan 0.000 0.426 602 V N 2.066 122.103 119.914 0.205 0.000 2.295 602 V HA -0.193 3.917 4.120 -0.017 0.000 0.246 602 V C 1.888 178.220 176.094 0.396 0.000 1.049 602 V CA 1.390 63.920 62.300 0.383 0.000 1.024 602 V CB -0.487 31.556 31.823 0.367 0.000 0.648 602 V HN 0.298 nan 8.190 nan 0.000 0.447 603 N N -0.507 118.338 118.700 0.243 0.000 2.166 603 N HA -0.183 4.547 4.740 -0.017 0.000 0.186 603 N C 1.803 177.411 175.510 0.164 0.000 1.019 603 N CA 1.699 54.848 53.050 0.165 0.000 0.856 603 N CB -0.471 38.084 38.487 0.115 0.000 0.993 603 N HN 0.710 nan 8.380 nan 0.000 0.426 604 H N -0.817 118.325 119.070 0.121 0.000 2.321 604 H HA -0.143 4.403 4.556 -0.017 0.000 0.300 604 H C 1.995 177.415 175.328 0.154 0.000 1.087 604 H CA 2.170 58.282 56.048 0.106 0.000 1.319 604 H CB -0.393 29.423 29.762 0.090 0.000 1.379 604 H HN 0.348 nan 8.280 nan 0.000 0.501 605 W N 1.127 122.476 121.300 0.081 0.000 2.335 605 W HA -0.214 4.436 4.660 -0.017 0.000 0.311 605 W C 1.732 178.244 176.519 -0.011 0.000 1.213 605 W CA 1.991 59.347 57.345 0.020 0.000 1.274 605 W CB -0.716 28.783 29.460 0.066 0.000 1.148 605 W HN 0.262 nan 8.180 nan 0.000 0.498 606 L N 0.481 121.567 121.223 -0.228 0.000 2.083 606 L HA -0.228 4.102 4.340 -0.017 0.000 0.209 606 L C 2.119 178.821 176.870 -0.281 0.000 1.083 606 L CA 1.758 56.332 54.840 -0.444 0.000 0.752 606 L CB -0.913 41.015 42.059 -0.219 0.000 0.899 606 L HN -0.077 nan 8.230 nan 0.000 0.433 607 D N -0.190 120.106 120.400 -0.173 0.000 2.269 607 D HA -0.116 4.514 4.640 -0.017 0.000 0.208 607 D C 1.376 177.572 176.300 -0.173 0.000 0.963 607 D CA 0.993 54.906 54.000 -0.146 0.000 0.864 607 D CB -0.188 40.546 40.800 -0.110 0.000 0.936 607 D HN 0.369 nan 8.370 nan 0.000 0.505 608 N N -0.361 118.209 118.700 -0.216 0.000 2.230 608 N HA 0.028 4.758 4.740 -0.017 0.000 0.202 608 N C 0.399 175.824 175.510 -0.143 0.000 1.119 608 N CA -0.056 52.886 53.050 -0.181 0.000 0.851 608 N CB 0.868 39.216 38.487 -0.231 0.000 0.990 608 N HN -0.043 nan 8.380 nan 0.000 0.497 609 K N 0.000 120.281 120.400 -0.199 0.000 2.780 609 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 609 K CA 0.000 56.178 56.287 -0.182 0.000 0.838 609 K CB 0.000 32.322 32.500 -0.297 0.000 1.064 609 K HN 0.000 nan 8.250 nan 0.000 0.543