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 3d1g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.352 176.300 0.086 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.649 32.600 0.082 0.000 1.302 2 K N 4.463 124.952 120.400 0.148 0.000 2.562 2 K HA 0.792 5.112 4.320 -0.000 0.000 0.267 2 K C -2.246 174.513 176.600 0.265 0.000 0.938 2 K CA -0.496 55.850 56.287 0.097 0.000 0.840 2 K CB 2.113 34.637 32.500 0.040 0.000 1.390 2 K HN 0.599 nan 8.250 nan 0.000 0.428 3 F N -1.528 118.468 119.950 0.077 0.000 2.719 3 F HA 0.531 5.058 4.527 -0.000 0.000 0.309 3 F C -1.668 174.181 175.800 0.081 0.000 1.138 3 F CA -0.730 57.327 58.000 0.095 0.000 0.943 3 F CB 1.939 40.980 39.000 0.070 0.000 1.304 3 F HN 0.227 nan 8.300 nan 0.000 0.445 4 T N 2.549 117.276 114.554 0.289 0.000 2.881 4 T HA 0.661 5.011 4.350 -0.000 0.000 0.291 4 T C -1.611 173.234 174.700 0.241 0.000 0.990 4 T CA -0.704 61.499 62.100 0.171 0.000 0.976 4 T CB 1.494 70.419 68.868 0.094 0.000 0.970 4 T HN 0.920 nan 8.240 nan 0.000 0.438 5 V N 2.317 122.375 119.914 0.240 0.000 3.049 5 V HA 0.507 4.627 4.120 -0.000 0.000 0.309 5 V C -1.058 175.084 176.094 0.080 0.000 1.148 5 V CA -0.931 61.479 62.300 0.183 0.000 0.990 5 V CB 2.240 34.212 31.823 0.248 0.000 1.039 5 V HN 0.796 nan 8.190 nan 0.000 0.430 6 E N 3.294 123.467 120.200 -0.046 0.000 2.414 6 E HA 0.079 4.429 4.350 -0.000 0.000 0.263 6 E C 0.926 177.472 176.600 -0.090 0.000 1.000 6 E CA 0.184 56.494 56.400 -0.149 0.000 0.914 6 E CB 0.896 30.353 29.700 -0.406 0.000 0.948 6 E HN 0.674 nan 8.360 nan 0.000 0.444 7 R N 2.927 123.399 120.500 -0.046 0.000 2.103 7 R HA -0.256 4.084 4.340 -0.000 0.000 0.242 7 R C 1.678 177.981 176.300 0.005 0.000 1.142 7 R CA 2.091 58.185 56.100 -0.010 0.000 0.960 7 R CB -0.022 30.267 30.300 -0.018 0.000 0.858 7 R HN 0.391 nan 8.270 nan 0.000 0.439 8 E N 0.266 120.447 120.200 -0.032 0.000 2.171 8 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 8 E C 1.223 177.918 176.600 0.159 0.000 0.997 8 E CA 1.956 58.374 56.400 0.031 0.000 0.810 8 E CB -0.235 29.464 29.700 -0.002 0.000 0.738 8 E HN 0.696 nan 8.360 nan 0.000 0.467 9 H N -1.691 117.403 119.070 0.040 0.000 2.551 9 H HA 0.068 4.624 4.556 -0.000 0.000 0.266 9 H C 1.156 176.503 175.328 0.033 0.000 0.977 9 H CA 0.194 56.261 56.048 0.032 0.000 1.163 9 H CB 0.495 30.268 29.762 0.019 0.000 1.381 9 H HN 0.122 nan 8.280 nan 0.000 0.581 10 L N 0.096 121.413 121.223 0.157 0.000 2.515 10 L HA -0.006 4.334 4.340 -0.000 0.000 0.223 10 L C 1.705 178.635 176.870 0.100 0.000 1.079 10 L CA 0.476 55.381 54.840 0.108 0.000 0.857 10 L CB 0.024 42.139 42.059 0.094 0.000 1.050 10 L HN 0.213 nan 8.230 nan 0.000 0.476 11 L N 0.057 121.352 121.223 0.119 0.000 1.956 11 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 11 L C 2.461 179.410 176.870 0.130 0.000 1.073 11 L CA 1.970 56.901 54.840 0.153 0.000 0.762 11 L CB -1.099 41.040 42.059 0.134 0.000 0.889 11 L HN 0.346 nan 8.230 nan 0.000 0.433 12 K N -0.524 119.957 120.400 0.134 0.000 2.026 12 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 12 K C -0.199 176.515 176.600 0.189 0.000 1.048 12 K CA 1.477 57.845 56.287 0.134 0.000 0.929 12 K CB -0.756 31.854 32.500 0.182 0.000 0.713 12 K HN 0.173 nan 8.250 nan 0.000 0.439 13 P HA -0.183 nan 4.420 nan 0.000 0.215 13 P C 1.161 178.508 177.300 0.078 0.000 1.157 13 P CA 1.290 64.545 63.100 0.259 0.000 0.874 13 P CB 0.044 31.774 31.700 0.051 0.000 0.790 14 L N -1.055 120.135 121.223 -0.055 0.000 2.083 14 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 14 L C 2.603 179.089 176.870 -0.641 0.000 1.083 14 L CA 1.579 56.255 54.840 -0.273 0.000 0.752 14 L CB -0.812 41.094 42.059 -0.254 0.000 0.899 14 L HN 0.067 nan 8.230 nan 0.000 0.433 15 Q N -0.838 118.597 119.800 -0.610 0.000 2.079 15 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 15 Q C 2.303 178.138 176.000 -0.274 0.000 0.974 15 Q CA 1.137 56.600 55.803 -0.567 0.000 0.840 15 Q CB -0.069 28.549 28.738 -0.199 0.000 0.898 15 Q HN 0.475 nan 8.270 nan 0.000 0.430 16 Q N 0.006 119.722 119.800 -0.140 0.000 2.079 16 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 16 Q C 2.296 178.291 176.000 -0.008 0.000 0.974 16 Q CA 1.643 57.399 55.803 -0.077 0.000 0.840 16 Q CB -0.247 28.460 28.738 -0.051 0.000 0.898 16 Q HN 0.450 nan 8.270 nan 0.000 0.430 17 V N -2.718 117.205 119.914 0.015 0.000 3.306 17 V HA 0.066 4.186 4.120 -0.000 0.000 0.264 17 V C 1.685 177.787 176.094 0.015 0.000 1.149 17 V CA 1.199 63.526 62.300 0.046 0.000 1.143 17 V CB -0.072 31.787 31.823 0.060 0.000 0.767 17 V HN 0.024 nan 8.190 nan 0.000 0.476 18 S N 1.119 116.775 115.700 -0.074 0.000 2.558 18 S HA 0.223 4.693 4.470 -0.000 0.000 0.217 18 S C 1.919 176.515 174.600 -0.007 0.000 0.975 18 S CA 0.743 58.914 58.200 -0.047 0.000 0.912 18 S CB 0.245 63.353 63.200 -0.153 0.000 0.776 18 S HN 0.777 nan 8.310 nan 0.000 0.526 19 G N 3.403 112.190 108.800 -0.022 0.000 2.421 19 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 19 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 19 G C -0.428 174.487 174.900 0.025 0.000 1.171 19 G CA 0.596 45.692 45.100 -0.006 0.000 0.775 19 G HN 0.467 nan 8.290 nan 0.000 0.543 20 P HA 0.048 nan 4.420 nan 0.000 0.231 20 P C -0.080 177.261 177.300 0.068 0.000 1.158 20 P CA 0.407 63.553 63.100 0.077 0.000 0.763 20 P CB 0.053 31.827 31.700 0.124 0.000 0.805 21 L N -0.225 121.037 121.223 0.065 0.000 2.307 21 L HA 0.539 4.879 4.340 -0.000 0.000 0.282 21 L C 1.338 178.243 176.870 0.059 0.000 1.051 21 L CA -0.163 54.717 54.840 0.066 0.000 0.804 21 L CB 0.998 43.106 42.059 0.082 0.000 1.197 21 L HN -0.115 nan 8.230 nan 0.000 0.431 22 G N 0.957 109.788 108.800 0.052 0.000 2.782 22 G HA2 0.474 4.434 3.960 -0.000 0.000 0.201 22 G HA3 0.474 4.434 3.960 -0.000 0.000 0.201 22 G C 0.005 174.935 174.900 0.050 0.000 1.374 22 G CA -0.361 44.767 45.100 0.048 0.000 1.039 22 G HN 0.750 nan 8.290 nan 0.000 0.576 23 G N -0.343 108.482 108.800 0.042 0.000 2.916 23 G HA2 0.400 4.360 3.960 -0.000 0.000 0.280 23 G HA3 0.400 4.360 3.960 -0.000 0.000 0.280 23 G C 0.503 175.426 174.900 0.039 0.000 0.758 23 G CA 0.014 45.139 45.100 0.041 0.000 1.993 23 G HN 0.820 nan 8.290 nan 0.000 0.564 24 R N 1.180 121.707 120.500 0.046 0.000 2.555 24 R HA -0.132 4.208 4.340 -0.000 0.000 0.307 24 R C -1.886 174.435 176.300 0.034 0.000 1.019 24 R CA 0.096 56.222 56.100 0.043 0.000 0.859 24 R CB -0.788 29.536 30.300 0.040 0.000 2.370 24 R HN 0.480 nan 8.270 nan 0.000 0.504 25 P HA -0.054 nan 4.420 nan 0.000 0.274 25 P C 0.693 178.003 177.300 0.017 0.000 1.264 25 P CA 0.174 63.287 63.100 0.022 0.000 0.795 25 P CB 0.462 32.173 31.700 0.018 0.000 1.064 26 T N -0.581 113.978 114.554 0.010 0.000 2.607 26 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 26 T C 0.948 175.651 174.700 0.005 0.000 1.049 26 T CA 1.074 63.178 62.100 0.006 0.000 1.162 26 T CB -0.765 68.104 68.868 0.001 0.000 0.863 26 T HN 0.224 nan 8.240 nan 0.000 0.424 27 L N 2.339 123.562 121.223 -0.001 0.000 2.313 27 L HA 0.253 4.592 4.340 -0.000 0.000 0.282 27 L C -1.493 175.381 176.870 0.007 0.000 1.092 27 L CA -1.779 53.059 54.840 -0.004 0.000 0.831 27 L CB 1.298 43.344 42.059 -0.021 0.000 1.159 27 L HN 0.128 nan 8.230 nan 0.000 0.442 28 P HA -0.231 nan 4.420 nan 0.000 0.216 28 P C 1.660 178.987 177.300 0.046 0.000 1.153 28 P CA 1.049 64.168 63.100 0.032 0.000 0.858 28 P CB 0.250 31.969 31.700 0.032 0.000 0.789 29 I N -0.936 119.656 120.570 0.038 0.000 2.315 29 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 29 I C 1.813 177.970 176.117 0.067 0.000 1.125 29 I CA 1.502 62.840 61.300 0.064 0.000 1.392 29 I CB -0.751 37.264 38.000 0.024 0.000 1.065 29 I HN -0.145 nan 8.210 nan 0.000 0.424 30 L N -0.187 121.039 121.223 0.005 0.000 2.362 30 L HA -0.028 4.312 4.340 -0.000 0.000 0.219 30 L C 2.205 179.121 176.870 0.078 0.000 1.134 30 L CA 0.878 55.717 54.840 -0.002 0.000 0.807 30 L CB -1.092 40.949 42.059 -0.030 0.000 0.927 30 L HN 0.409 nan 8.230 nan 0.000 0.447 31 G N -0.967 107.885 108.800 0.087 0.000 2.985 31 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.209 31 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.209 31 G C 0.360 175.339 174.900 0.131 0.000 1.165 31 G CA -0.143 45.016 45.100 0.099 0.000 0.776 31 G HN 0.235 nan 8.290 nan 0.000 0.541 32 N N -0.426 118.381 118.700 0.178 0.000 2.443 32 N HA 0.603 5.343 4.740 -0.000 0.000 0.293 32 N C -0.766 174.879 175.510 0.224 0.000 1.159 32 N CA -0.535 52.623 53.050 0.181 0.000 0.904 32 N CB 1.808 40.397 38.487 0.170 0.000 1.214 32 N HN -0.107 nan 8.380 nan 0.000 0.513 33 L N 1.229 122.500 121.223 0.079 0.000 2.317 33 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 33 L C -0.566 176.130 176.870 -0.289 0.000 1.024 33 L CA -1.108 53.717 54.840 -0.025 0.000 0.810 33 L CB 1.398 43.479 42.059 0.037 0.000 1.240 33 L HN 0.276 nan 8.230 nan 0.000 0.427 34 L N 4.719 125.555 121.223 -0.645 0.000 2.281 34 L HA 0.431 4.771 4.340 -0.000 0.000 0.285 34 L C -0.846 175.798 176.870 -0.377 0.000 1.074 34 L CA 0.303 54.675 54.840 -0.780 0.000 0.817 34 L CB 0.579 41.812 42.059 -1.376 0.000 1.168 34 L HN 0.403 nan 8.230 nan 0.000 0.434 35 L N 5.966 127.031 121.223 -0.264 0.000 2.322 35 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 35 L C -0.564 176.224 176.870 -0.137 0.000 1.014 35 L CA -0.542 54.197 54.840 -0.169 0.000 0.815 35 L CB 1.605 43.597 42.059 -0.111 0.000 1.247 35 L HN 0.656 nan 8.230 nan 0.000 0.421 36 Q N 2.988 122.707 119.800 -0.134 0.000 2.285 36 Q HA 0.504 4.844 4.340 -0.000 0.000 0.269 36 Q C -1.362 174.577 176.000 -0.102 0.000 1.030 36 Q CA -0.621 55.123 55.803 -0.098 0.000 0.788 36 Q CB 3.512 32.191 28.738 -0.098 0.000 1.266 36 Q HN 0.323 nan 8.270 nan 0.000 0.438 37 V N 1.678 121.563 119.914 -0.048 0.000 2.384 37 V HA 0.892 5.012 4.120 -0.000 0.000 0.287 37 V C -0.642 175.455 176.094 0.005 0.000 1.020 37 V CA -0.333 61.948 62.300 -0.032 0.000 0.850 37 V CB 1.248 33.108 31.823 0.063 0.000 0.987 37 V HN 0.850 nan 8.190 nan 0.000 0.436 38 A N 3.524 126.337 122.820 -0.012 0.000 2.555 38 A HA 0.641 4.961 4.320 -0.000 0.000 0.297 38 A C -0.175 177.412 177.584 0.005 0.000 1.060 38 A CA -0.227 51.816 52.037 0.010 0.000 0.710 38 A CB 1.142 20.135 19.000 -0.012 0.000 1.282 38 A HN 0.984 nan 8.150 nan 0.000 0.399 39 D N 1.283 121.707 120.400 0.040 0.000 2.689 39 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 39 D C 1.223 177.542 176.300 0.033 0.000 1.148 39 D CA 2.880 56.903 54.000 0.038 0.000 0.656 39 D CB -1.038 39.763 40.800 0.002 0.000 1.050 39 D HN 2.490 nan 8.370 nan 0.000 0.426 40 G N -0.534 108.326 108.800 0.101 0.000 2.203 40 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 40 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 40 G C 0.396 175.146 174.900 -0.250 0.000 1.012 40 G CA 0.721 45.770 45.100 -0.086 0.000 0.749 40 G HN 0.799 nan 8.290 nan 0.000 0.512 41 T N -0.243 114.194 114.554 -0.196 0.000 2.886 41 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 41 T C -0.622 173.945 174.700 -0.222 0.000 1.012 41 T CA -0.532 61.447 62.100 -0.200 0.000 0.982 41 T CB 2.195 70.980 68.868 -0.139 0.000 1.018 41 T HN 0.749 nan 8.240 nan 0.000 0.451 42 L N 2.879 123.935 121.223 -0.278 0.000 2.282 42 L HA 0.741 5.081 4.340 -0.000 0.000 0.288 42 L C -0.469 176.247 176.870 -0.257 0.000 1.033 42 L CA 0.189 54.827 54.840 -0.337 0.000 0.807 42 L CB 1.182 42.910 42.059 -0.552 0.000 1.209 42 L HN 0.553 nan 8.230 nan 0.000 0.423 43 S N 5.505 121.077 115.700 -0.213 0.000 2.472 43 S HA 0.791 5.261 4.470 -0.000 0.000 0.303 43 S C -0.911 173.593 174.600 -0.160 0.000 1.099 43 S CA -0.441 57.656 58.200 -0.172 0.000 1.077 43 S CB 1.309 64.426 63.200 -0.138 0.000 1.031 43 S HN 0.459 nan 8.310 nan 0.000 0.487 44 L N 2.781 123.926 121.223 -0.131 0.000 2.333 44 L HA 0.622 4.962 4.340 -0.000 0.000 0.280 44 L C 0.069 176.899 176.870 -0.067 0.000 1.004 44 L CA -0.150 54.633 54.840 -0.095 0.000 0.820 44 L CB 1.816 43.852 42.059 -0.039 0.000 1.247 44 L HN 0.551 nan 8.230 nan 0.000 0.416 45 T N 1.222 115.722 114.554 -0.091 0.000 2.886 45 T HA 0.816 5.166 4.350 -0.000 0.000 0.292 45 T C -0.132 174.631 174.700 0.105 0.000 1.012 45 T CA -0.831 61.270 62.100 0.003 0.000 0.982 45 T CB 1.934 70.810 68.868 0.013 0.000 1.018 45 T HN 0.755 nan 8.240 nan 0.000 0.451 46 G N 0.459 109.389 108.800 0.217 0.000 2.571 46 G HA2 0.700 4.660 3.960 -0.000 0.000 0.304 46 G HA3 0.700 4.660 3.960 -0.000 0.000 0.304 46 G C -1.107 173.949 174.900 0.259 0.000 1.314 46 G CA -0.583 44.686 45.100 0.282 0.000 0.975 46 G HN 0.781 nan 8.290 nan 0.000 0.485 47 T N -0.924 113.751 114.554 0.200 0.000 2.802 47 T HA 0.493 4.843 4.350 -0.000 0.000 0.311 47 T C -1.225 173.472 174.700 -0.006 0.000 1.405 47 T CA -0.197 61.936 62.100 0.055 0.000 1.016 47 T CB 2.009 70.841 68.868 -0.061 0.000 1.352 47 T HN 0.633 nan 8.240 nan 0.000 0.498 48 D N 1.972 122.363 120.400 -0.016 0.000 2.582 48 D HA 0.256 4.896 4.640 -0.000 0.000 0.246 48 D C 1.489 177.762 176.300 -0.045 0.000 1.334 48 D CA -0.122 53.865 54.000 -0.021 0.000 0.805 48 D CB -0.402 40.409 40.800 0.018 0.000 1.087 48 D HN 0.596 nan 8.370 nan 0.000 0.499 49 L N -0.850 120.328 121.223 -0.076 0.000 3.395 49 L HA -0.286 4.054 4.340 -0.000 0.000 0.399 49 L C 1.388 178.221 176.870 -0.062 0.000 0.701 49 L CA 1.855 56.647 54.840 -0.081 0.000 2.975 49 L CB -1.153 40.862 42.059 -0.073 0.000 0.774 49 L HN 0.103 nan 8.230 nan 0.000 0.717 50 E N 0.496 120.672 120.200 -0.040 0.000 2.122 50 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 50 E C 0.860 177.425 176.600 -0.059 0.000 0.977 50 E CA 1.536 57.913 56.400 -0.039 0.000 0.820 50 E CB 0.204 29.900 29.700 -0.007 0.000 0.770 50 E HN 0.698 nan 8.360 nan 0.000 0.462 51 M N -1.032 118.550 119.600 -0.031 0.000 2.618 51 M HA 0.588 5.068 4.480 -0.000 0.000 0.281 51 M C -0.913 175.379 176.300 -0.014 0.000 1.267 51 M CA -0.779 54.483 55.300 -0.064 0.000 0.845 51 M CB 3.227 35.872 32.600 0.074 0.000 1.732 51 M HN -0.260 nan 8.290 nan 0.000 0.461 52 E N 1.581 121.744 120.200 -0.061 0.000 2.331 52 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 52 E C -2.002 174.670 176.600 0.121 0.000 0.895 52 E CA -0.782 55.644 56.400 0.042 0.000 0.753 52 E CB 2.563 32.272 29.700 0.015 0.000 1.216 52 E HN 0.743 nan 8.360 nan 0.000 0.434 53 M N 3.605 123.320 119.600 0.191 0.000 2.259 53 M HA 0.382 4.862 4.480 -0.000 0.000 0.304 53 M C -1.552 174.838 176.300 0.150 0.000 1.019 53 M CA -0.832 54.608 55.300 0.234 0.000 0.922 53 M CB 1.660 34.414 32.600 0.256 0.000 1.600 53 M HN 0.353 nan 8.290 nan 0.000 0.433 54 V N 3.066 123.046 119.914 0.110 0.000 2.540 54 V HA 0.861 4.981 4.120 -0.000 0.000 0.302 54 V C -0.250 175.828 176.094 -0.026 0.000 1.035 54 V CA -0.840 61.475 62.300 0.025 0.000 0.873 54 V CB 1.706 33.514 31.823 -0.026 0.000 0.992 54 V HN 0.921 nan 8.190 nan 0.000 0.428 55 A N 5.410 128.171 122.820 -0.099 0.000 2.355 55 A HA 0.887 5.207 4.320 -0.000 0.000 0.317 55 A C -0.422 176.986 177.584 -0.294 0.000 1.094 55 A CA -0.798 51.053 52.037 -0.310 0.000 0.764 55 A CB 1.290 20.132 19.000 -0.263 0.000 1.230 55 A HN 0.825 nan 8.150 nan 0.000 0.448 56 R N 0.827 121.110 120.500 -0.362 0.000 2.589 56 R HA 0.667 5.007 4.340 -0.000 0.000 0.293 56 R C -1.447 174.690 176.300 -0.270 0.000 0.963 56 R CA -0.680 55.264 56.100 -0.261 0.000 0.905 56 R CB 2.272 32.453 30.300 -0.200 0.000 1.144 56 R HN 0.417 nan 8.270 nan 0.000 0.459 57 V N 2.000 121.778 119.914 -0.227 0.000 2.483 57 V HA 0.408 4.528 4.120 -0.000 0.000 0.297 57 V C -0.068 175.913 176.094 -0.189 0.000 1.027 57 V CA -1.067 61.113 62.300 -0.201 0.000 0.855 57 V CB 1.727 33.447 31.823 -0.172 0.000 0.995 57 V HN 0.956 nan 8.190 nan 0.000 0.424 58 A N 6.016 128.737 122.820 -0.165 0.000 2.488 58 A HA 0.598 4.918 4.320 -0.000 0.000 0.249 58 A C -0.252 177.252 177.584 -0.133 0.000 1.083 58 A CA 0.029 51.978 52.037 -0.146 0.000 0.768 58 A CB -0.052 18.877 19.000 -0.119 0.000 1.017 58 A HN 0.830 nan 8.150 nan 0.000 0.496 59 L N 4.419 125.526 121.223 -0.193 0.000 2.272 59 L HA 0.231 4.571 4.340 -0.000 0.000 0.284 59 L C 1.268 178.075 176.870 -0.106 0.000 1.045 59 L CA -0.640 54.079 54.840 -0.203 0.000 0.842 59 L CB 1.217 42.982 42.059 -0.491 0.000 1.224 59 L HN 0.773 nan 8.230 nan 0.000 0.430 60 V N -0.004 119.916 119.914 0.011 0.000 2.649 60 V HA 0.023 4.143 4.120 -0.000 0.000 0.248 60 V C 1.036 177.195 176.094 0.108 0.000 1.054 60 V CA 0.381 62.716 62.300 0.058 0.000 1.073 60 V CB -0.568 31.296 31.823 0.068 0.000 0.699 60 V HN 0.741 nan 8.190 nan 0.000 0.463 61 Q N 0.999 120.875 119.800 0.126 0.000 2.312 61 Q HA 0.377 4.717 4.340 -0.000 0.000 0.236 61 Q C -2.410 173.743 176.000 0.255 0.000 0.965 61 Q CA -2.062 53.832 55.803 0.151 0.000 0.894 61 Q CB 0.264 29.078 28.738 0.128 0.000 1.225 61 Q HN 0.255 nan 8.270 nan 0.000 0.478 62 P HA -0.124 nan 4.420 nan 0.000 0.263 62 P C -1.185 176.253 177.300 0.230 0.000 1.175 62 P CA 0.892 64.076 63.100 0.141 0.000 0.761 62 P CB 0.361 32.094 31.700 0.056 0.000 0.794 63 H N 0.081 119.193 119.070 0.070 0.000 2.990 63 H HA 0.559 5.115 4.556 -0.000 0.000 0.336 63 H C -1.170 174.199 175.328 0.067 0.000 1.306 63 H CA -1.022 55.083 56.048 0.096 0.000 1.118 63 H CB 1.516 31.348 29.762 0.118 0.000 1.856 63 H HN 0.340 nan 8.280 nan 0.000 0.538 64 E N 1.722 122.007 120.200 0.142 0.000 2.256 64 E HA 0.282 4.632 4.350 -0.000 0.000 0.268 64 E C -2.790 173.879 176.600 0.116 0.000 0.877 64 E CA -2.114 54.322 56.400 0.060 0.000 0.757 64 E CB 3.183 32.906 29.700 0.037 0.000 1.183 64 E HN 0.366 nan 8.360 nan 0.000 0.418 65 P HA 0.182 nan 4.420 nan 0.000 0.269 65 P C 0.053 177.385 177.300 0.054 0.000 1.217 65 P CA 0.260 63.406 63.100 0.076 0.000 0.783 65 P CB 0.936 32.665 31.700 0.048 0.000 0.898 66 G N -0.746 108.078 108.800 0.041 0.000 2.361 66 G HA2 0.509 4.469 3.960 -0.000 0.000 0.305 66 G HA3 0.509 4.469 3.960 -0.000 0.000 0.305 66 G C -2.111 172.796 174.900 0.012 0.000 1.367 66 G CA -0.057 45.058 45.100 0.026 0.000 0.951 66 G HN 0.632 nan 8.290 nan 0.000 0.615 67 A N -1.141 121.678 122.820 -0.002 0.000 2.587 67 A HA 1.067 5.387 4.320 -0.000 0.000 0.293 67 A C -0.239 177.325 177.584 -0.034 0.000 1.087 67 A CA 0.384 52.405 52.037 -0.028 0.000 0.692 67 A CB 1.867 20.841 19.000 -0.043 0.000 1.291 67 A HN 2.303 nan 8.150 nan 0.000 0.407 68 T N -0.773 113.742 114.554 -0.066 0.000 2.663 68 T HA 0.697 5.047 4.350 -0.000 0.000 0.305 68 T C -1.369 173.259 174.700 -0.120 0.000 1.660 68 T CA 0.423 62.483 62.100 -0.067 0.000 0.976 68 T CB 1.353 70.190 68.868 -0.052 0.000 1.705 68 T HN 2.151 nan 8.240 nan 0.000 0.494 69 T N -0.365 114.131 114.554 -0.096 0.000 2.912 69 T HA 0.786 5.136 4.350 -0.000 0.000 0.299 69 T C -0.590 174.066 174.700 -0.073 0.000 1.052 69 T CA -0.263 61.767 62.100 -0.117 0.000 0.996 69 T CB 1.070 69.906 68.868 -0.053 0.000 1.070 69 T HN 1.358 nan 8.240 nan 0.000 0.465 70 V N -1.150 118.711 119.914 -0.088 0.000 3.078 70 V HA 0.822 4.942 4.120 -0.000 0.000 0.311 70 V C -3.218 172.886 176.094 0.016 0.000 1.138 70 V CA -3.318 58.946 62.300 -0.061 0.000 1.007 70 V CB 1.546 33.262 31.823 -0.177 0.000 1.045 70 V HN 0.698 nan 8.190 nan 0.000 0.432 71 P HA 0.158 nan 4.420 nan 0.000 0.260 71 P C 0.722 178.115 177.300 0.155 0.000 1.185 71 P CA 1.014 64.175 63.100 0.102 0.000 0.763 71 P CB 0.910 32.668 31.700 0.097 0.000 0.776 72 A N 5.048 127.964 122.820 0.159 0.000 1.845 72 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 72 A C 2.211 179.940 177.584 0.243 0.000 1.195 72 A CA 1.661 53.818 52.037 0.200 0.000 0.616 72 A CB -0.837 18.257 19.000 0.157 0.000 0.832 72 A HN 0.348 nan 8.150 nan 0.000 0.443 73 R N 0.205 120.823 120.500 0.197 0.000 2.081 73 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 73 R C 2.045 178.447 176.300 0.170 0.000 1.131 73 R CA 2.078 58.302 56.100 0.206 0.000 0.960 73 R CB -0.444 29.941 30.300 0.141 0.000 0.856 73 R HN 0.590 nan 8.270 nan 0.000 0.436 74 K N -1.082 119.405 120.400 0.144 0.000 2.057 74 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 74 K C 1.944 178.619 176.600 0.125 0.000 1.049 74 K CA 1.511 57.861 56.287 0.104 0.000 0.931 74 K CB -0.361 32.201 32.500 0.104 0.000 0.714 74 K HN 0.125 nan 8.250 nan 0.000 0.440 75 F N 1.136 121.112 119.950 0.043 0.000 2.146 75 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 75 F C 1.987 177.845 175.800 0.096 0.000 1.096 75 F CA 0.915 58.937 58.000 0.035 0.000 1.275 75 F CB -0.392 38.648 39.000 0.067 0.000 1.008 75 F HN -0.050 nan 8.300 nan 0.000 0.480 76 F N 1.574 121.466 119.950 -0.096 0.000 2.102 76 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 76 F C 2.205 177.891 175.800 -0.191 0.000 1.105 76 F CA 1.996 59.884 58.000 -0.185 0.000 1.239 76 F CB -1.082 37.891 39.000 -0.045 0.000 0.991 76 F HN -0.062 nan 8.300 nan 0.000 0.474 77 D N 0.574 120.827 120.400 -0.245 0.000 2.144 77 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 77 D C 2.560 178.665 176.300 -0.325 0.000 0.984 77 D CA 1.538 55.321 54.000 -0.362 0.000 0.834 77 D CB -0.371 40.308 40.800 -0.201 0.000 0.955 77 D HN 0.361 nan 8.370 nan 0.000 0.465 78 I N 0.423 120.797 120.570 -0.326 0.000 2.142 78 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 78 I C 2.451 178.319 176.117 -0.415 0.000 1.078 78 I CA 0.752 61.761 61.300 -0.484 0.000 1.343 78 I CB -0.159 37.437 38.000 -0.672 0.000 1.046 78 I HN 0.079 nan 8.210 nan 0.000 0.405 79 C N 0.151 119.208 119.300 -0.405 0.000 2.432 79 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 79 C C 2.947 177.815 174.990 -0.205 0.000 1.249 79 C CA 0.831 59.667 59.018 -0.304 0.000 1.725 79 C CB -1.200 26.323 27.740 -0.362 0.000 2.028 79 C HN 0.453 nan 8.230 nan 0.000 0.477 80 R N 0.799 121.146 120.500 -0.256 0.000 2.115 80 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 80 R C 2.168 178.355 176.300 -0.188 0.000 1.111 80 R CA 1.628 57.584 56.100 -0.240 0.000 0.976 80 R CB -0.532 29.479 30.300 -0.482 0.000 0.870 80 R HN 0.582 nan 8.270 nan 0.000 0.445 81 G N 0.685 109.363 108.800 -0.203 0.000 2.598 81 G HA2 0.002 3.962 3.960 -0.000 0.000 0.215 81 G HA3 0.002 3.962 3.960 -0.000 0.000 0.215 81 G C 0.624 175.479 174.900 -0.075 0.000 1.131 81 G CA -0.078 44.942 45.100 -0.133 0.000 0.785 81 G HN 0.111 nan 8.290 nan 0.000 0.539 82 L N 1.538 122.715 121.223 -0.078 0.000 2.453 82 L HA 0.264 4.604 4.340 -0.000 0.000 0.261 82 L C -1.453 175.405 176.870 -0.021 0.000 1.179 82 L CA -1.854 52.971 54.840 -0.025 0.000 0.813 82 L CB 0.775 42.821 42.059 -0.021 0.000 1.110 82 L HN 0.000 nan 8.230 nan 0.000 0.466 83 P HA 0.024 nan 4.420 nan 0.000 0.272 83 P C -0.817 176.478 177.300 -0.009 0.000 1.230 83 P CA -0.445 62.652 63.100 -0.005 0.000 0.788 83 P CB 0.533 32.235 31.700 0.003 0.000 0.949 84 E N 0.588 120.782 120.200 -0.009 0.000 2.502 84 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 84 E C 1.472 178.066 176.600 -0.009 0.000 0.974 84 E CA 1.380 57.775 56.400 -0.008 0.000 0.936 84 E CB -0.316 29.381 29.700 -0.005 0.000 0.926 84 E HN 0.839 nan 8.360 nan 0.000 0.459 85 G N 1.827 110.618 108.800 -0.015 0.000 2.162 85 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 85 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 85 G C 0.496 175.384 174.900 -0.020 0.000 0.976 85 G CA 0.296 45.383 45.100 -0.021 0.000 0.655 85 G HN 0.801 nan 8.290 nan 0.000 0.533 86 A N -0.169 122.642 122.820 -0.015 0.000 2.407 86 A HA 0.603 4.923 4.320 -0.000 0.000 0.248 86 A C 0.395 177.974 177.584 -0.008 0.000 1.082 86 A CA 0.294 52.328 52.037 -0.005 0.000 0.785 86 A CB 0.349 19.352 19.000 0.004 0.000 1.020 86 A HN 0.492 nan 8.150 nan 0.000 0.489 87 E N 0.777 120.980 120.200 0.005 0.000 2.175 87 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 87 E C -1.137 175.482 176.600 0.030 0.000 0.969 87 E CA -0.198 56.209 56.400 0.012 0.000 0.796 87 E CB 1.606 31.314 29.700 0.013 0.000 1.104 87 E HN 0.559 nan 8.360 nan 0.000 0.395 88 I N 2.387 122.985 120.570 0.047 0.000 2.355 88 I HA 0.372 4.542 4.170 -0.000 0.000 0.288 88 I C -0.277 175.855 176.117 0.024 0.000 0.999 88 I CA -0.704 60.629 61.300 0.055 0.000 1.163 88 I CB 1.579 39.627 38.000 0.079 0.000 1.316 88 I HN 0.452 nan 8.210 nan 0.000 0.454 89 A N 6.910 129.721 122.820 -0.015 0.000 2.276 89 A HA 0.778 5.098 4.320 -0.000 0.000 0.316 89 A C -0.537 176.936 177.584 -0.187 0.000 1.229 89 A CA -0.421 51.560 52.037 -0.094 0.000 0.851 89 A CB 0.918 19.893 19.000 -0.042 0.000 1.165 89 A HN 0.475 nan 8.150 nan 0.000 0.513 90 V N 3.409 123.050 119.914 -0.455 0.000 2.656 90 V HA 0.673 4.793 4.120 -0.000 0.000 0.307 90 V C -0.353 175.504 176.094 -0.396 0.000 1.051 90 V CA -0.462 61.531 62.300 -0.512 0.000 0.893 90 V CB 1.599 32.828 31.823 -0.990 0.000 0.999 90 V HN 1.097 nan 8.190 nan 0.000 0.426 91 Q N 3.572 123.252 119.800 -0.200 0.000 2.353 91 Q HA 0.704 5.044 4.340 -0.000 0.000 0.275 91 Q C -1.901 174.059 176.000 -0.066 0.000 1.029 91 Q CA -0.964 54.775 55.803 -0.108 0.000 0.848 91 Q CB 2.501 31.198 28.738 -0.069 0.000 1.390 91 Q HN 0.527 nan 8.270 nan 0.000 0.401 92 L N 1.757 122.958 121.223 -0.037 0.000 2.305 92 L HA 0.420 4.760 4.340 -0.000 0.000 0.281 92 L C -0.763 176.097 176.870 -0.017 0.000 1.085 92 L CA 0.564 55.389 54.840 -0.025 0.000 0.813 92 L CB 1.152 43.204 42.059 -0.012 0.000 1.157 92 L HN 0.895 nan 8.230 nan 0.000 0.436 93 E N 4.462 124.653 120.200 -0.014 0.000 2.373 93 E HA 0.492 4.842 4.350 -0.000 0.000 0.251 93 E C 0.395 176.992 176.600 -0.005 0.000 0.923 93 E CA 0.163 56.558 56.400 -0.008 0.000 0.798 93 E CB 0.493 30.189 29.700 -0.008 0.000 1.303 93 E HN 0.928 nan 8.360 nan 0.000 0.412 94 G N 4.456 113.255 108.800 -0.003 0.000 2.596 94 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.304 94 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.304 94 G C 0.566 175.466 174.900 0.000 0.000 1.189 94 G CA 0.472 45.572 45.100 -0.001 0.000 0.986 94 G HN 0.602 nan 8.290 nan 0.000 0.548 95 E N 2.088 122.289 120.200 0.002 0.000 2.463 95 E HA 0.178 4.528 4.350 -0.000 0.000 0.193 95 E C 1.327 177.930 176.600 0.004 0.000 1.041 95 E CA 0.334 56.736 56.400 0.004 0.000 0.879 95 E CB 0.347 30.051 29.700 0.008 0.000 0.997 95 E HN 0.494 nan 8.360 nan 0.000 0.478 96 R N 0.126 120.626 120.500 0.001 0.000 2.807 96 R HA 0.547 4.887 4.340 -0.000 0.000 0.276 96 R C -0.293 176.002 176.300 -0.008 0.000 0.979 96 R CA -0.644 55.458 56.100 0.002 0.000 0.928 96 R CB 2.158 32.465 30.300 0.011 0.000 1.191 96 R HN -0.027 nan 8.270 nan 0.000 0.471 97 M N 2.767 122.359 119.600 -0.013 0.000 2.167 97 M HA 0.327 4.807 4.480 -0.000 0.000 0.333 97 M C -1.573 174.724 176.300 -0.005 0.000 1.030 97 M CA -1.001 54.278 55.300 -0.034 0.000 0.963 97 M CB 0.986 33.535 32.600 -0.085 0.000 1.589 97 M HN 0.300 nan 8.290 nan 0.000 0.431 98 L N 5.804 127.022 121.223 -0.009 0.000 2.292 98 L HA 0.534 4.874 4.340 -0.000 0.000 0.284 98 L C -0.736 176.155 176.870 0.035 0.000 1.065 98 L CA -0.240 54.615 54.840 0.026 0.000 0.806 98 L CB 1.644 43.707 42.059 0.006 0.000 1.175 98 L HN 0.452 nan 8.230 nan 0.000 0.431 99 V N 4.677 124.673 119.914 0.137 0.000 2.444 99 V HA 0.615 4.735 4.120 -0.000 0.000 0.294 99 V C -0.097 176.140 176.094 0.238 0.000 1.022 99 V CA -0.799 61.613 62.300 0.187 0.000 0.850 99 V CB 1.655 33.654 31.823 0.294 0.000 0.992 99 V HN 0.666 nan 8.190 nan 0.000 0.426 100 R N 2.508 123.090 120.500 0.136 0.000 2.686 100 R HA 0.823 5.163 4.340 -0.000 0.000 0.283 100 R C -0.947 175.413 176.300 0.099 0.000 0.978 100 R CA -0.563 55.605 56.100 0.112 0.000 0.897 100 R CB 2.265 32.587 30.300 0.038 0.000 1.192 100 R HN 0.661 nan 8.270 nan 0.000 0.457 101 S N 0.931 116.695 115.700 0.106 0.000 2.584 101 S HA 0.529 4.999 4.470 -0.000 0.000 0.280 101 S C 0.209 174.845 174.600 0.060 0.000 1.162 101 S CA 0.359 58.608 58.200 0.080 0.000 0.951 101 S CB 1.211 64.471 63.200 0.100 0.000 1.108 101 S HN 0.980 nan 8.310 nan 0.000 0.464 102 G N 4.908 113.729 108.800 0.034 0.000 2.622 102 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.307 102 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.307 102 G C 0.123 175.028 174.900 0.009 0.000 1.226 102 G CA 0.578 45.690 45.100 0.020 0.000 0.997 102 G HN 0.825 nan 8.290 nan 0.000 0.551 103 R N 0.635 121.135 120.500 0.000 0.000 2.696 103 R HA 0.444 4.784 4.340 -0.000 0.000 0.355 103 R C -0.247 176.022 176.300 -0.052 0.000 1.138 103 R CA 0.196 56.282 56.100 -0.024 0.000 1.059 103 R CB 0.492 30.778 30.300 -0.024 0.000 1.380 103 R HN 0.268 nan 8.270 nan 0.000 0.578 104 S N 0.825 116.504 115.700 -0.035 0.000 2.451 104 S HA 0.492 4.962 4.470 -0.000 0.000 0.301 104 S C -0.279 174.191 174.600 -0.217 0.000 1.116 104 S CA -0.657 57.474 58.200 -0.115 0.000 1.093 104 S CB 1.786 65.058 63.200 0.120 0.000 1.017 104 S HN 0.237 nan 8.310 nan 0.000 0.482 105 R N 1.746 121.903 120.500 -0.572 0.000 2.575 105 R HA 0.605 4.945 4.340 -0.000 0.000 0.293 105 R C -1.672 174.152 176.300 -0.793 0.000 0.983 105 R CA -0.496 55.341 56.100 -0.438 0.000 0.887 105 R CB 1.479 31.648 30.300 -0.219 0.000 1.184 105 R HN 0.493 nan 8.270 nan 0.000 0.445 106 F N -0.140 119.823 119.950 0.022 0.000 2.565 106 F HA 0.430 4.957 4.527 -0.000 0.000 0.313 106 F C 0.170 175.987 175.800 0.029 0.000 1.091 106 F CA -0.893 57.127 58.000 0.033 0.000 0.915 106 F CB 2.470 41.505 39.000 0.058 0.000 1.208 106 F HN 0.256 nan 8.300 nan 0.000 0.453 107 S N 3.163 118.972 115.700 0.183 0.000 2.640 107 S HA 0.776 5.246 4.470 -0.000 0.000 0.320 107 S C -1.293 173.373 174.600 0.110 0.000 1.097 107 S CA -0.422 57.843 58.200 0.107 0.000 1.092 107 S CB 0.149 63.381 63.200 0.053 0.000 0.988 107 S HN 0.466 nan 8.310 nan 0.000 0.470 108 L N 4.003 125.281 121.223 0.091 0.000 2.331 108 L HA 0.585 4.925 4.340 -0.000 0.000 0.275 108 L C 0.767 177.659 176.870 0.037 0.000 1.022 108 L CA -0.292 54.591 54.840 0.072 0.000 0.812 108 L CB 1.699 43.798 42.059 0.066 0.000 1.257 108 L HN 0.759 nan 8.230 nan 0.000 0.435 109 S N -0.064 115.659 115.700 0.038 0.000 2.593 109 S HA 0.680 5.150 4.470 -0.000 0.000 0.269 109 S C 0.097 174.706 174.600 0.014 0.000 1.334 109 S CA -0.278 57.938 58.200 0.027 0.000 1.015 109 S CB 0.770 63.990 63.200 0.034 0.000 0.912 109 S HN 0.782 nan 8.310 nan 0.000 0.541 110 T N -0.859 113.702 114.554 0.011 0.000 2.901 110 T HA 0.729 5.079 4.350 -0.000 0.000 0.293 110 T C -0.795 173.916 174.700 0.018 0.000 1.084 110 T CA -1.037 61.065 62.100 0.004 0.000 1.008 110 T CB 0.837 69.698 68.868 -0.011 0.000 1.170 110 T HN 0.633 nan 8.240 nan 0.000 0.509 111 L N 0.987 122.224 121.223 0.023 0.000 2.431 111 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 111 L C -2.707 174.186 176.870 0.039 0.000 0.978 111 L CA -2.713 52.152 54.840 0.041 0.000 0.822 111 L CB 2.828 44.927 42.059 0.066 0.000 1.310 111 L HN 0.477 nan 8.230 nan 0.000 0.409 112 P HA -0.030 nan 4.420 nan 0.000 0.262 112 P C 0.170 177.503 177.300 0.055 0.000 1.182 112 P CA 0.155 63.276 63.100 0.035 0.000 0.761 112 P CB 0.880 32.600 31.700 0.034 0.000 0.795 113 A N 4.458 127.296 122.820 0.029 0.000 2.019 113 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 113 A C 2.052 179.686 177.584 0.083 0.000 1.164 113 A CA 1.839 53.894 52.037 0.030 0.000 0.644 113 A CB -1.315 17.672 19.000 -0.022 0.000 0.805 113 A HN 0.552 nan 8.150 nan 0.000 0.449 114 A N -0.386 122.470 122.820 0.061 0.000 2.121 114 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 114 A C 1.428 179.057 177.584 0.075 0.000 1.154 114 A CA 1.509 53.582 52.037 0.060 0.000 0.679 114 A CB -0.254 18.768 19.000 0.037 0.000 0.795 114 A HN 0.462 nan 8.150 nan 0.000 0.458 115 D N -1.723 118.733 120.400 0.094 0.000 2.354 115 D HA 0.097 4.737 4.640 -0.000 0.000 0.209 115 D C 0.022 176.389 176.300 0.112 0.000 1.015 115 D CA -0.122 53.927 54.000 0.083 0.000 0.867 115 D CB -0.092 40.748 40.800 0.068 0.000 0.933 115 D HN 0.378 nan 8.370 nan 0.000 0.520 116 F N 2.584 122.535 119.950 0.002 0.000 2.578 116 F HA 0.142 4.669 4.527 -0.000 0.000 0.376 116 F C -1.819 173.983 175.800 0.003 0.000 1.085 116 F CA -1.993 56.008 58.000 0.003 0.000 1.260 116 F CB 0.440 39.441 39.000 0.001 0.000 1.095 116 F HN -0.254 nan 8.300 nan 0.000 0.573 117 P HA -0.042 nan 4.420 nan 0.000 0.261 117 P C -1.219 175.978 177.300 -0.171 0.000 1.183 117 P CA 0.370 63.278 63.100 -0.320 0.000 0.761 117 P CB 0.220 31.667 31.700 -0.422 0.000 0.785 118 N N 3.108 121.783 118.700 -0.042 0.000 2.479 118 N HA 0.258 4.998 4.740 -0.000 0.000 0.261 118 N C -0.600 174.917 175.510 0.012 0.000 0.979 118 N CA -0.580 52.486 53.050 0.028 0.000 0.930 118 N CB 0.485 39.004 38.487 0.053 0.000 1.172 118 N HN 0.272 nan 8.380 nan 0.000 0.499 119 L N 2.563 123.800 121.223 0.023 0.000 2.499 119 L HA 0.055 4.395 4.340 -0.000 0.000 0.273 119 L C 0.209 177.121 176.870 0.070 0.000 1.195 119 L CA -0.177 54.682 54.840 0.031 0.000 0.882 119 L CB 0.205 42.288 42.059 0.040 0.000 1.133 119 L HN 0.522 nan 8.230 nan 0.000 0.483 120 D N 2.244 122.684 120.400 0.067 0.000 2.449 120 D HA -0.026 4.614 4.640 -0.000 0.000 0.236 120 D C 0.068 176.475 176.300 0.179 0.000 1.149 120 D CA 0.078 54.131 54.000 0.089 0.000 0.878 120 D CB 0.506 41.345 40.800 0.066 0.000 1.198 120 D HN 0.361 nan 8.370 nan 0.000 0.446 121 D N 0.922 121.392 120.400 0.117 0.000 2.399 121 D HA 0.125 4.765 4.640 -0.000 0.000 0.241 121 D C -0.179 176.232 176.300 0.185 0.000 1.133 121 D CA 0.061 54.108 54.000 0.079 0.000 0.890 121 D CB 0.596 41.389 40.800 -0.012 0.000 1.201 121 D HN 0.369 nan 8.370 nan 0.000 0.432 122 W N 1.533 122.812 121.300 -0.036 0.000 3.042 122 W HA 0.413 5.073 4.660 0.000 0.000 0.342 122 W C -1.210 175.288 176.519 -0.035 0.000 1.240 122 W CA -0.885 56.439 57.345 -0.034 0.000 1.166 122 W CB 0.533 29.970 29.460 -0.039 0.000 1.469 122 W HN 0.133 nan 8.180 nan 0.000 0.579 123 Q N 1.807 121.711 119.800 0.174 0.000 2.307 123 Q HA 0.390 4.730 4.340 -0.000 0.000 0.262 123 Q C -0.479 175.601 176.000 0.134 0.000 0.961 123 Q CA -0.278 55.529 55.803 0.008 0.000 0.882 123 Q CB 1.961 30.713 28.738 0.024 0.000 1.264 123 Q HN 0.463 nan 8.270 nan 0.000 0.446 124 S N 3.108 118.776 115.700 -0.052 0.000 2.549 124 S HA 0.145 4.615 4.470 -0.000 0.000 0.283 124 S C 0.206 174.837 174.600 0.051 0.000 1.320 124 S CA -0.078 58.160 58.200 0.065 0.000 1.058 124 S CB 0.406 63.564 63.200 -0.070 0.000 0.882 124 S HN 0.718 nan 8.310 nan 0.000 0.498 125 E N 2.502 122.738 120.200 0.060 0.000 2.441 125 E HA 0.231 4.581 4.350 -0.000 0.000 0.212 125 E C -0.539 176.035 176.600 -0.044 0.000 0.840 125 E CA 0.377 56.768 56.400 -0.015 0.000 1.143 125 E CB 0.874 30.539 29.700 -0.059 0.000 1.153 125 E HN 0.447 nan 8.360 nan 0.000 0.539 126 V N 2.258 122.163 119.914 -0.014 0.000 2.577 126 V HA 0.369 4.489 4.120 -0.000 0.000 0.303 126 V C -0.648 175.492 176.094 0.077 0.000 1.042 126 V CA -0.599 61.725 62.300 0.041 0.000 0.872 126 V CB 2.206 34.063 31.823 0.057 0.000 0.998 126 V HN -0.014 nan 8.190 nan 0.000 0.423 127 E N 4.742 125.005 120.200 0.105 0.000 2.314 127 E HA 0.788 5.138 4.350 -0.000 0.000 0.272 127 E C -1.558 175.125 176.600 0.138 0.000 0.884 127 E CA -0.584 55.814 56.400 -0.003 0.000 0.753 127 E CB 3.045 32.730 29.700 -0.025 0.000 1.213 127 E HN 0.583 nan 8.360 nan 0.000 0.432 128 F N -1.630 118.342 119.950 0.036 0.000 2.741 128 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 128 F C -0.827 174.995 175.800 0.036 0.000 1.149 128 F CA -1.024 56.996 58.000 0.033 0.000 0.930 128 F CB 1.117 40.140 39.000 0.038 0.000 1.312 128 F HN 0.321 nan 8.300 nan 0.000 0.450 129 T N 0.522 115.224 114.554 0.247 0.000 2.930 129 T HA 0.918 5.268 4.350 -0.000 0.000 0.290 129 T C -0.932 173.908 174.700 0.233 0.000 1.052 129 T CA -0.577 61.612 62.100 0.148 0.000 1.017 129 T CB 2.039 70.950 68.868 0.071 0.000 1.137 129 T HN 1.689 nan 8.240 nan 0.000 0.511 130 L N -2.513 118.809 121.223 0.165 0.000 2.866 130 L HA 0.721 5.061 4.340 -0.000 0.000 0.262 130 L C -3.465 173.464 176.870 0.098 0.000 0.986 130 L CA -2.385 52.543 54.840 0.146 0.000 0.925 130 L CB 1.050 43.231 42.059 0.202 0.000 1.484 130 L HN 0.377 nan 8.230 nan 0.000 0.414 131 P HA 0.207 nan 4.420 nan 0.000 0.268 131 P C -0.162 177.174 177.300 0.060 0.000 1.205 131 P CA -0.086 63.047 63.100 0.054 0.000 0.771 131 P CB 0.817 32.542 31.700 0.041 0.000 0.858 132 Q N 2.162 121.990 119.800 0.047 0.000 2.135 132 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 132 Q C 1.997 178.022 176.000 0.042 0.000 0.981 132 Q CA 1.976 57.806 55.803 0.044 0.000 0.856 132 Q CB -0.550 28.204 28.738 0.026 0.000 0.902 132 Q HN 0.569 nan 8.270 nan 0.000 0.425 133 A N 0.409 123.249 122.820 0.034 0.000 1.978 133 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 133 A C 2.173 179.779 177.584 0.036 0.000 1.170 133 A CA 1.840 53.895 52.037 0.030 0.000 0.636 133 A CB -0.685 18.329 19.000 0.023 0.000 0.810 133 A HN 0.323 nan 8.150 nan 0.000 0.448 134 T N -0.678 113.902 114.554 0.044 0.000 2.812 134 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 134 T C 1.911 176.647 174.700 0.060 0.000 1.042 134 T CA 1.736 63.863 62.100 0.045 0.000 1.140 134 T CB -0.231 68.667 68.868 0.050 0.000 0.870 134 T HN 0.445 nan 8.240 nan 0.000 0.445 135 M N 1.554 121.206 119.600 0.087 0.000 2.117 135 M HA 0.036 4.516 4.480 -0.000 0.000 0.262 135 M C 2.059 178.414 176.300 0.093 0.000 1.065 135 M CA 1.624 56.997 55.300 0.121 0.000 1.114 135 M CB -0.306 32.380 32.600 0.142 0.000 1.361 135 M HN 0.037 nan 8.290 nan 0.000 0.408 136 K N -0.228 120.211 120.400 0.064 0.000 2.057 136 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 136 K C 2.071 178.698 176.600 0.045 0.000 1.049 136 K CA 1.973 58.290 56.287 0.049 0.000 0.931 136 K CB -0.224 32.296 32.500 0.032 0.000 0.714 136 K HN 0.489 nan 8.250 nan 0.000 0.440 137 R N 0.754 121.277 120.500 0.038 0.000 2.081 137 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 137 R C 2.128 178.440 176.300 0.020 0.000 1.131 137 R CA 1.647 57.766 56.100 0.031 0.000 0.960 137 R CB -0.781 29.533 30.300 0.023 0.000 0.856 137 R HN 0.208 nan 8.270 nan 0.000 0.436 138 L N 0.272 121.499 121.223 0.006 0.000 2.046 138 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 138 L C 2.565 179.397 176.870 -0.064 0.000 1.077 138 L CA 1.410 56.222 54.840 -0.047 0.000 0.747 138 L CB -0.330 41.696 42.059 -0.054 0.000 0.896 138 L HN 0.255 nan 8.230 nan 0.000 0.432 139 I N -0.635 119.934 120.570 -0.001 0.000 2.233 139 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 139 I C 2.366 178.508 176.117 0.041 0.000 1.093 139 I CA 1.170 62.478 61.300 0.014 0.000 1.380 139 I CB -0.288 37.765 38.000 0.089 0.000 1.067 139 I HN 0.256 nan 8.210 nan 0.000 0.413 140 E N 1.123 121.361 120.200 0.064 0.000 2.153 140 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 140 E C 2.247 178.945 176.600 0.164 0.000 0.988 140 E CA 1.165 57.626 56.400 0.102 0.000 0.811 140 E CB -0.146 29.599 29.700 0.076 0.000 0.746 140 E HN 0.500 nan 8.360 nan 0.000 0.466 141 A N 1.044 123.944 122.820 0.132 0.000 2.067 141 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 141 A C 2.245 179.998 177.584 0.282 0.000 1.158 141 A CA 1.834 54.003 52.037 0.220 0.000 0.661 141 A CB -0.290 18.776 19.000 0.110 0.000 0.801 141 A HN 0.362 nan 8.150 nan 0.000 0.452 142 T N -4.823 109.774 114.554 0.072 0.000 2.969 142 T HA 0.109 4.459 4.350 -0.000 0.000 0.258 142 T C 1.634 176.194 174.700 -0.232 0.000 0.962 142 T CA 0.626 62.647 62.100 -0.132 0.000 0.903 142 T CB -0.196 68.540 68.868 -0.220 0.000 1.177 142 T HN 0.367 nan 8.240 nan 0.000 0.511 143 Q N 1.177 120.952 119.800 -0.041 0.000 2.133 143 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 143 Q C 1.895 177.893 176.000 -0.003 0.000 0.991 143 Q CA 2.372 58.173 55.803 -0.002 0.000 0.867 143 Q CB -0.602 28.189 28.738 0.087 0.000 0.911 143 Q HN 0.813 nan 8.270 nan 0.000 0.417 144 F N -1.085 118.898 119.950 0.055 0.000 2.408 144 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 144 F C 1.635 177.468 175.800 0.055 0.000 1.090 144 F CA 0.965 59.009 58.000 0.072 0.000 1.427 144 F CB -0.395 38.639 39.000 0.058 0.000 1.070 144 F HN -0.115 nan 8.300 nan 0.000 0.549 145 S N 0.484 115.749 115.700 -0.725 0.000 2.575 145 S HA 0.243 4.713 4.470 -0.000 0.000 0.215 145 S C 0.795 175.227 174.600 -0.280 0.000 0.966 145 S CA -0.268 57.632 58.200 -0.500 0.000 0.911 145 S CB -0.377 62.443 63.200 -0.633 0.000 0.780 145 S HN 0.250 nan 8.310 nan 0.000 0.514 146 M N 1.758 121.217 119.600 -0.235 0.000 2.240 146 M HA 0.287 4.767 4.480 -0.000 0.000 0.333 146 M C 0.627 176.705 176.300 -0.370 0.000 1.110 146 M CA -0.307 54.873 55.300 -0.200 0.000 1.173 146 M CB 0.305 32.835 32.600 -0.117 0.000 1.458 146 M HN 0.164 nan 8.290 nan 0.000 0.458 147 A N 1.862 124.510 122.820 -0.287 0.000 2.346 147 A HA 0.237 4.557 4.320 -0.000 0.000 0.252 147 A C -0.537 176.806 177.584 -0.402 0.000 1.089 147 A CA -0.265 51.584 52.037 -0.313 0.000 0.797 147 A CB 0.212 19.098 19.000 -0.191 0.000 1.047 147 A HN 0.806 nan 8.150 nan 0.000 0.494 148 H N 0.597 119.686 119.070 0.031 0.000 2.792 148 H HA 0.336 4.892 4.556 -0.000 0.000 0.298 148 H C -0.606 174.740 175.328 0.031 0.000 1.042 148 H CA -0.158 55.914 56.048 0.040 0.000 1.300 148 H CB 1.128 30.924 29.762 0.056 0.000 1.431 148 H HN 0.809 nan 8.280 nan 0.000 0.496 149 Q N 0.143 120.014 119.800 0.118 0.000 2.481 149 Q HA -0.198 4.142 4.340 -0.000 0.000 0.272 149 Q C 0.008 176.036 176.000 0.047 0.000 1.157 149 Q CA 0.876 56.725 55.803 0.078 0.000 0.935 149 Q CB -0.887 27.900 28.738 0.082 0.000 1.338 149 Q HN 0.662 nan 8.270 nan 0.000 0.494 150 D N -0.665 119.739 120.400 0.008 0.000 2.362 150 D HA 0.142 4.782 4.640 -0.000 0.000 0.242 150 D C 1.396 177.676 176.300 -0.034 0.000 1.132 150 D CA 0.605 54.585 54.000 -0.034 0.000 0.907 150 D CB 1.162 41.891 40.800 -0.117 0.000 1.195 150 D HN 0.083 nan 8.370 nan 0.000 0.429 151 V N 1.837 121.734 119.914 -0.027 0.000 2.970 151 V HA -0.011 4.109 4.120 -0.000 0.000 0.260 151 V C 1.259 177.357 176.094 0.007 0.000 1.100 151 V CA 0.835 63.144 62.300 0.015 0.000 1.122 151 V CB -0.568 31.268 31.823 0.022 0.000 0.721 151 V HN 0.358 nan 8.190 nan 0.000 0.483 152 R N 1.138 121.518 120.500 -0.201 0.000 3.701 152 R HA 0.230 4.570 4.340 -0.000 0.000 0.210 152 R C 1.318 177.170 176.300 -0.747 0.000 1.598 152 R CA 0.037 55.776 56.100 -0.603 0.000 1.427 152 R CB -0.390 29.410 30.300 -0.834 0.000 1.339 152 R HN 0.774 nan 8.270 nan 0.000 0.720 153 Y N 0.069 120.197 120.300 -0.287 0.000 2.172 153 Y HA -0.412 4.138 4.550 -0.000 0.000 0.280 153 Y C 1.691 177.535 175.900 -0.094 0.000 1.209 153 Y CA 1.357 59.377 58.100 -0.134 0.000 1.171 153 Y CB -1.222 37.228 38.460 -0.017 0.000 0.965 153 Y HN 0.493 nan 8.280 nan 0.000 0.520 154 Y N -0.443 119.485 120.300 -0.620 0.000 2.403 154 Y HA -0.012 4.538 4.550 0.000 0.000 0.291 154 Y C 1.798 177.669 175.900 -0.048 0.000 1.143 154 Y CA 0.716 58.650 58.100 -0.278 0.000 1.257 154 Y CB -1.176 37.057 38.460 -0.379 0.000 0.984 154 Y HN 0.223 nan 8.280 nan 0.000 0.550 155 L N 0.630 121.614 121.223 -0.398 0.000 2.418 155 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 155 L C 1.244 178.069 176.870 -0.075 0.000 1.125 155 L CA 0.757 55.469 54.840 -0.213 0.000 0.835 155 L CB -0.521 41.285 42.059 -0.421 0.000 0.953 155 L HN 0.350 nan 8.230 nan 0.000 0.454 156 N N -0.177 118.485 118.700 -0.063 0.000 2.550 156 N HA -0.021 4.719 4.740 -0.000 0.000 0.186 156 N C 0.959 176.498 175.510 0.047 0.000 1.110 156 N CA 0.252 53.294 53.050 -0.013 0.000 0.912 156 N CB 0.209 38.709 38.487 0.021 0.000 0.968 156 N HN 0.302 nan 8.380 nan 0.000 0.448 157 G N 0.001 108.865 108.800 0.106 0.000 2.971 157 G HA2 0.616 4.576 3.960 -0.000 0.000 0.235 157 G HA3 0.616 4.576 3.960 -0.000 0.000 0.235 157 G C -1.167 173.809 174.900 0.125 0.000 1.351 157 G CA -0.575 44.601 45.100 0.126 0.000 1.039 157 G HN -0.011 nan 8.290 nan 0.000 0.563 158 M N 0.466 120.122 119.600 0.094 0.000 2.326 158 M HA 0.552 5.032 4.480 -0.000 0.000 0.306 158 M C -1.516 174.693 176.300 -0.152 0.000 1.054 158 M CA -0.856 54.423 55.300 -0.035 0.000 0.922 158 M CB 1.993 34.605 32.600 0.020 0.000 1.632 158 M HN 0.404 nan 8.290 nan 0.000 0.436 159 L N 4.873 125.730 121.223 -0.609 0.000 2.367 159 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 159 L C -1.797 174.825 176.870 -0.413 0.000 1.129 159 L CA 0.670 55.112 54.840 -0.663 0.000 0.839 159 L CB 0.412 41.722 42.059 -1.248 0.000 1.133 159 L HN 0.593 nan 8.230 nan 0.000 0.453 160 F N 4.168 123.980 119.950 -0.231 0.000 2.427 160 F HA 0.461 4.988 4.527 -0.000 0.000 0.348 160 F C 0.078 175.817 175.800 -0.101 0.000 1.125 160 F CA -0.497 57.432 58.000 -0.118 0.000 0.989 160 F CB 1.382 40.373 39.000 -0.016 0.000 1.165 160 F HN 0.492 nan 8.300 nan 0.000 0.442 161 E N 2.132 122.320 120.200 -0.021 0.000 2.248 161 E HA 0.527 4.877 4.350 -0.000 0.000 0.267 161 E C -1.220 175.361 176.600 -0.033 0.000 0.877 161 E CA -0.750 55.637 56.400 -0.021 0.000 0.759 161 E CB 1.748 31.410 29.700 -0.064 0.000 1.182 161 E HN 0.579 nan 8.360 nan 0.000 0.418 162 T N 1.204 115.757 114.554 -0.001 0.000 2.824 162 T HA 0.551 4.901 4.350 -0.000 0.000 0.280 162 T C -0.337 174.349 174.700 -0.023 0.000 0.995 162 T CA -0.798 61.264 62.100 -0.064 0.000 1.009 162 T CB 1.482 70.314 68.868 -0.059 0.000 0.955 162 T HN 0.526 nan 8.240 nan 0.000 0.452 163 E N 1.484 121.655 120.200 -0.048 0.000 2.343 163 E HA 0.469 4.819 4.350 -0.000 0.000 0.288 163 E C 0.616 177.198 176.600 -0.030 0.000 0.907 163 E CA -0.032 56.358 56.400 -0.018 0.000 0.792 163 E CB 0.919 30.619 29.700 0.001 0.000 1.275 163 E HN 1.173 nan 8.360 nan 0.000 0.402 164 G N 4.180 112.970 108.800 -0.018 0.000 2.565 164 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.295 164 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.295 164 G C 0.415 175.295 174.900 -0.034 0.000 1.165 164 G CA 0.579 45.668 45.100 -0.019 0.000 0.977 164 G HN 0.616 nan 8.290 nan 0.000 0.546 165 E N 1.625 121.801 120.200 -0.039 0.000 2.569 165 E HA 0.260 4.610 4.350 -0.000 0.000 0.205 165 E C 0.120 176.675 176.600 -0.076 0.000 1.006 165 E CA -0.011 56.359 56.400 -0.050 0.000 0.985 165 E CB 0.542 30.225 29.700 -0.028 0.000 1.060 165 E HN 0.544 nan 8.360 nan 0.000 0.460 166 E N 1.104 121.250 120.200 -0.090 0.000 2.227 166 E HA 0.394 4.744 4.350 -0.000 0.000 0.268 166 E C -1.254 175.248 176.600 -0.164 0.000 0.907 166 E CA -0.977 55.358 56.400 -0.109 0.000 0.786 166 E CB 2.375 32.026 29.700 -0.081 0.000 1.191 166 E HN -0.080 nan 8.360 nan 0.000 0.411 167 L N 2.478 123.594 121.223 -0.179 0.000 2.322 167 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 167 L C -0.881 175.894 176.870 -0.157 0.000 1.014 167 L CA -0.253 54.465 54.840 -0.203 0.000 0.815 167 L CB 1.298 43.223 42.059 -0.223 0.000 1.247 167 L HN 0.512 nan 8.230 nan 0.000 0.421 168 R N 2.186 122.581 120.500 -0.176 0.000 2.744 168 R HA 0.808 5.148 4.340 -0.000 0.000 0.279 168 R C -1.371 174.715 176.300 -0.356 0.000 0.977 168 R CA -0.239 55.712 56.100 -0.249 0.000 0.906 168 R CB 1.819 31.963 30.300 -0.260 0.000 1.197 168 R HN 0.809 nan 8.270 nan 0.000 0.463 169 T N -0.195 114.093 114.554 -0.442 0.000 2.885 169 T HA 0.670 5.020 4.350 -0.000 0.000 0.285 169 T C -0.700 173.713 174.700 -0.479 0.000 1.019 169 T CA -0.701 61.038 62.100 -0.602 0.000 1.010 169 T CB 1.830 70.287 68.868 -0.686 0.000 1.022 169 T HN 0.230 nan 8.240 nan 0.000 0.466 170 V N 0.922 120.557 119.914 -0.466 0.000 2.760 170 V HA 0.885 5.005 4.120 -0.000 0.000 0.309 170 V C -0.372 175.607 176.094 -0.193 0.000 1.077 170 V CA -0.951 61.163 62.300 -0.311 0.000 0.910 170 V CB 1.661 33.364 31.823 -0.199 0.000 1.008 170 V HN 1.424 nan 8.190 nan 0.000 0.424 171 A N 2.371 125.151 122.820 -0.067 0.000 2.455 171 A HA 0.955 5.275 4.320 -0.000 0.000 0.300 171 A C -0.633 176.946 177.584 -0.008 0.000 1.040 171 A CA -0.524 51.524 52.037 0.018 0.000 0.697 171 A CB 2.304 21.211 19.000 -0.155 0.000 1.265 171 A HN 0.924 nan 8.150 nan 0.000 0.407 172 T N 0.094 114.652 114.554 0.006 0.000 2.942 172 T HA 0.497 4.847 4.350 -0.000 0.000 0.327 172 T C -1.431 173.152 174.700 -0.194 0.000 1.360 172 T CA 0.167 62.188 62.100 -0.132 0.000 1.055 172 T CB 1.437 70.217 68.868 -0.147 0.000 1.261 172 T HN 0.835 nan 8.240 nan 0.000 0.485 173 D N 0.994 121.260 120.400 -0.223 0.000 2.479 173 D HA 0.335 4.975 4.640 -0.000 0.000 0.218 173 D C 1.449 177.529 176.300 -0.366 0.000 1.177 173 D CA 0.609 54.468 54.000 -0.237 0.000 0.830 173 D CB -0.016 40.702 40.800 -0.137 0.000 1.014 173 D HN 1.160 nan 8.370 nan 0.000 0.503 174 G N 0.532 109.114 108.800 -0.363 0.000 2.225 174 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 174 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 174 G C 0.949 175.569 174.900 -0.467 0.000 0.988 174 G CA 0.500 45.342 45.100 -0.430 0.000 0.625 174 G HN 0.486 nan 8.290 nan 0.000 0.527 175 H N -0.060 118.926 119.070 -0.140 0.000 2.695 175 H HA 0.266 4.822 4.556 0.000 0.000 0.267 175 H C 1.452 176.619 175.328 -0.267 0.000 0.973 175 H CA 1.459 57.418 56.048 -0.149 0.000 1.223 175 H CB 0.737 30.422 29.762 -0.129 0.000 1.442 175 H HN 0.723 nan 8.280 nan 0.000 0.478 176 R N 0.229 120.577 120.500 -0.252 0.000 2.707 176 R HA 0.609 4.949 4.340 -0.000 0.000 0.272 176 R C -1.648 174.555 176.300 -0.161 0.000 1.011 176 R CA -0.735 55.230 56.100 -0.224 0.000 0.893 176 R CB 1.727 31.802 30.300 -0.375 0.000 1.233 176 R HN 0.046 nan 8.270 nan 0.000 0.464 177 L N 0.450 121.621 121.223 -0.087 0.000 2.371 177 L HA 0.977 5.317 4.340 -0.000 0.000 0.262 177 L C -1.303 175.521 176.870 -0.077 0.000 1.006 177 L CA -0.787 54.001 54.840 -0.087 0.000 0.818 177 L CB 2.375 44.404 42.059 -0.050 0.000 1.354 177 L HN 1.019 nan 8.230 nan 0.000 0.415 178 A N 3.544 126.264 122.820 -0.168 0.000 2.374 178 A HA 0.753 5.073 4.320 -0.000 0.000 0.305 178 A C -1.793 175.575 177.584 -0.359 0.000 1.053 178 A CA -0.511 51.353 52.037 -0.287 0.000 0.726 178 A CB 1.966 20.817 19.000 -0.247 0.000 1.229 178 A HN 0.688 nan 8.150 nan 0.000 0.431 179 V N 2.013 121.626 119.914 -0.502 0.000 2.686 179 V HA 0.704 4.824 4.120 -0.000 0.000 0.306 179 V C -1.218 174.598 176.094 -0.462 0.000 1.065 179 V CA -0.368 61.645 62.300 -0.479 0.000 0.894 179 V CB 1.387 32.865 31.823 -0.575 0.000 1.004 179 V HN 1.525 nan 8.190 nan 0.000 0.424 180 C N 5.162 124.230 119.300 -0.387 0.000 2.609 180 C HA 0.871 5.331 4.460 -0.000 0.000 0.313 180 C C -0.316 174.520 174.990 -0.257 0.000 1.175 180 C CA -0.024 58.825 59.018 -0.280 0.000 1.434 180 C CB 1.228 28.851 27.740 -0.195 0.000 2.005 180 C HN 1.099 nan 8.230 nan 0.000 0.471 181 S N 6.060 121.643 115.700 -0.195 0.000 2.521 181 S HA 0.895 5.365 4.470 -0.000 0.000 0.295 181 S C -1.038 173.500 174.600 -0.104 0.000 1.098 181 S CA -0.509 57.594 58.200 -0.160 0.000 0.999 181 S CB 0.930 64.039 63.200 -0.151 0.000 1.034 181 S HN 0.771 nan 8.310 nan 0.000 0.483 182 M N 5.156 124.702 119.600 -0.090 0.000 2.386 182 M HA 0.466 4.946 4.480 -0.000 0.000 0.293 182 M C -2.810 173.456 176.300 -0.057 0.000 1.120 182 M CA -2.326 52.939 55.300 -0.058 0.000 0.909 182 M CB 1.965 34.541 32.600 -0.040 0.000 1.661 182 M HN 0.433 nan 8.290 nan 0.000 0.452 183 P HA 0.305 nan 4.420 nan 0.000 0.280 183 P C 0.010 177.294 177.300 -0.026 0.000 1.244 183 P CA -0.251 62.827 63.100 -0.036 0.000 0.784 183 P CB 0.916 32.602 31.700 -0.023 0.000 0.913 184 I N -1.103 119.447 120.570 -0.033 0.000 3.966 184 I HA 0.313 4.483 4.170 -0.000 0.000 0.324 184 I C 0.824 176.946 176.117 0.009 0.000 1.517 184 I CA -0.326 60.970 61.300 -0.007 0.000 1.117 184 I CB -0.616 37.377 38.000 -0.012 0.000 1.190 184 I HN 0.586 nan 8.210 nan 0.000 0.466 185 G N 2.439 111.239 108.800 -0.000 0.000 2.356 185 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.296 185 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.296 185 G C -0.210 174.699 174.900 0.015 0.000 1.022 185 G CA 0.624 45.728 45.100 0.008 0.000 0.961 185 G HN 0.719 nan 8.290 nan 0.000 0.510 186 Q N -0.843 118.962 119.800 0.008 0.000 2.320 186 Q HA 0.498 4.838 4.340 -0.000 0.000 0.272 186 Q C -0.622 175.381 176.000 0.005 0.000 1.023 186 Q CA -0.698 55.118 55.803 0.021 0.000 0.855 186 Q CB 1.855 30.625 28.738 0.054 0.000 1.367 186 Q HN 0.183 nan 8.270 nan 0.000 0.406 187 S N 2.813 118.520 115.700 0.013 0.000 2.481 187 S HA 0.362 4.832 4.470 -0.000 0.000 0.276 187 S C -0.488 174.121 174.600 0.014 0.000 1.247 187 S CA -0.328 57.877 58.200 0.007 0.000 1.053 187 S CB 0.107 63.314 63.200 0.011 0.000 0.925 187 S HN 0.253 nan 8.310 nan 0.000 0.491 188 L N 3.981 125.204 121.223 -0.001 0.000 2.301 188 L HA 0.681 5.021 4.340 -0.000 0.000 0.264 188 L C -2.313 174.567 176.870 0.017 0.000 1.016 188 L CA -2.583 52.262 54.840 0.009 0.000 0.821 188 L CB -0.015 42.020 42.059 -0.039 0.000 1.346 188 L HN 0.301 nan 8.230 nan 0.000 0.429 189 P HA 0.329 nan 4.420 nan 0.000 0.279 189 P C -0.743 176.597 177.300 0.067 0.000 1.252 189 P CA -0.462 62.664 63.100 0.045 0.000 0.811 189 P CB 0.655 32.379 31.700 0.040 0.000 1.035 190 S N 1.024 116.768 115.700 0.072 0.000 2.422 190 S HA 0.294 4.764 4.470 -0.000 0.000 0.283 190 S C -0.360 174.335 174.600 0.159 0.000 1.163 190 S CA 0.237 58.485 58.200 0.081 0.000 1.054 190 S CB -0.795 62.435 63.200 0.051 0.000 0.967 190 S HN 0.503 nan 8.310 nan 0.000 0.499 191 H N 0.894 119.978 119.070 0.023 0.000 3.046 191 H HA 0.607 5.163 4.556 -0.000 0.000 0.361 191 H C -0.984 174.365 175.328 0.035 0.000 1.235 191 H CA -0.452 55.617 56.048 0.036 0.000 1.146 191 H CB 1.602 31.399 29.762 0.058 0.000 1.859 191 H HN 0.562 nan 8.280 nan 0.000 0.548 192 S N 2.970 118.420 115.700 -0.417 0.000 2.546 192 S HA 0.696 5.166 4.470 -0.000 0.000 0.272 192 S C -1.286 173.152 174.600 -0.270 0.000 1.140 192 S CA -0.082 57.988 58.200 -0.216 0.000 0.920 192 S CB 0.883 64.000 63.200 -0.138 0.000 1.083 192 S HN 1.008 nan 8.310 nan 0.000 0.476 193 V N 0.143 120.004 119.914 -0.089 0.000 3.130 193 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 193 V C -1.013 175.072 176.094 -0.015 0.000 1.158 193 V CA -1.251 61.021 62.300 -0.047 0.000 1.029 193 V CB 1.540 33.375 31.823 0.020 0.000 1.057 193 V HN 0.978 nan 8.190 nan 0.000 0.436 194 I N 1.973 122.543 120.570 -0.000 0.000 2.362 194 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 194 I C -0.534 175.621 176.117 0.064 0.000 0.994 194 I CA -0.894 60.422 61.300 0.026 0.000 1.158 194 I CB 1.825 39.876 38.000 0.086 0.000 1.315 194 I HN 0.431 nan 8.210 nan 0.000 0.451 195 V N 8.373 128.355 119.914 0.114 0.000 2.407 195 V HA 0.291 4.411 4.120 -0.000 0.000 0.278 195 V C -2.067 174.093 176.094 0.111 0.000 1.037 195 V CA -1.814 60.529 62.300 0.072 0.000 0.900 195 V CB 1.200 33.031 31.823 0.013 0.000 0.983 195 V HN 0.556 nan 8.190 nan 0.000 0.459 196 P HA 0.096 nan 4.420 nan 0.000 0.268 196 P C 0.809 178.174 177.300 0.108 0.000 1.208 196 P CA -0.094 63.066 63.100 0.100 0.000 0.777 196 P CB 0.625 32.374 31.700 0.082 0.000 0.875 197 R N 3.031 123.590 120.500 0.100 0.000 2.113 197 R HA -0.250 4.090 4.340 -0.000 0.000 0.244 197 R C 1.893 178.247 176.300 0.090 0.000 1.142 197 R CA 2.049 58.206 56.100 0.094 0.000 0.953 197 R CB -0.339 30.014 30.300 0.088 0.000 0.860 197 R HN 0.352 nan 8.270 nan 0.000 0.438 198 K N -0.853 119.600 120.400 0.087 0.000 2.097 198 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 198 K C 1.927 178.585 176.600 0.095 0.000 1.049 198 K CA 1.535 57.871 56.287 0.081 0.000 0.933 198 K CB -0.280 32.268 32.500 0.081 0.000 0.717 198 K HN 0.419 nan 8.250 nan 0.000 0.442 199 G N 0.196 109.080 108.800 0.140 0.000 2.402 199 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 199 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 199 G C 1.449 176.412 174.900 0.105 0.000 1.162 199 G CA 0.673 45.913 45.100 0.235 0.000 0.777 199 G HN 0.170 nan 8.290 nan 0.000 0.539 200 V N 1.551 121.524 119.914 0.099 0.000 2.295 200 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 200 V C 2.802 178.908 176.094 0.020 0.000 1.049 200 V CA 1.120 63.479 62.300 0.098 0.000 1.024 200 V CB -0.334 31.579 31.823 0.150 0.000 0.648 200 V HN 0.261 nan 8.190 nan 0.000 0.447 201 I N 0.173 120.750 120.570 0.012 0.000 2.163 201 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 201 I C 2.614 178.666 176.117 -0.109 0.000 1.085 201 I CA 1.892 63.180 61.300 -0.020 0.000 1.347 201 I CB -1.113 36.889 38.000 0.004 0.000 1.044 201 I HN 0.406 nan 8.210 nan 0.000 0.408 202 E N 1.191 121.277 120.200 -0.191 0.000 2.110 202 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 202 E C 2.264 178.507 176.600 -0.595 0.000 0.988 202 E CA 0.975 57.130 56.400 -0.408 0.000 0.804 202 E CB -0.434 28.936 29.700 -0.549 0.000 0.745 202 E HN 0.461 nan 8.360 nan 0.000 0.458 203 L N -0.559 120.336 121.223 -0.547 0.000 2.017 203 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 203 L C 2.319 179.075 176.870 -0.191 0.000 1.073 203 L CA 1.706 56.316 54.840 -0.383 0.000 0.745 203 L CB -0.223 41.752 42.059 -0.139 0.000 0.894 203 L HN 0.284 nan 8.230 nan 0.000 0.432 204 M N -0.170 119.361 119.600 -0.113 0.000 2.159 204 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 204 M C 2.318 178.563 176.300 -0.092 0.000 1.063 204 M CA 1.719 56.984 55.300 -0.059 0.000 1.110 204 M CB -0.430 32.160 32.600 -0.018 0.000 1.374 204 M HN 0.083 nan 8.290 nan 0.000 0.411 205 R N -0.076 120.344 120.500 -0.134 0.000 2.189 205 R HA -0.129 4.211 4.340 -0.000 0.000 0.223 205 R C 2.046 178.241 176.300 -0.174 0.000 1.092 205 R CA 1.604 57.622 56.100 -0.136 0.000 0.989 205 R CB -0.325 29.891 30.300 -0.140 0.000 0.876 205 R HN 0.654 nan 8.270 nan 0.000 0.457 206 M N -0.553 118.921 119.600 -0.210 0.000 2.558 206 M HA 0.116 4.596 4.480 -0.000 0.000 0.255 206 M C -0.264 175.928 176.300 -0.180 0.000 1.113 206 M CA 0.847 56.006 55.300 -0.235 0.000 1.097 206 M CB 0.261 32.732 32.600 -0.216 0.000 1.426 206 M HN -0.119 nan 8.290 nan 0.000 0.488 207 L N 2.418 123.572 121.223 -0.116 0.000 2.278 207 L HA 0.194 4.534 4.340 -0.000 0.000 0.287 207 L C 0.234 177.062 176.870 -0.069 0.000 1.072 207 L CA -0.507 54.291 54.840 -0.069 0.000 0.819 207 L CB 0.526 42.567 42.059 -0.030 0.000 1.176 207 L HN 0.223 nan 8.230 nan 0.000 0.435 208 D N 2.437 122.797 120.400 -0.067 0.000 2.262 208 D HA 0.075 4.715 4.640 -0.000 0.000 0.212 208 D C 1.541 177.826 176.300 -0.025 0.000 0.964 208 D CA 1.309 55.277 54.000 -0.053 0.000 0.875 208 D CB 1.121 41.886 40.800 -0.059 0.000 0.996 208 D HN 0.875 nan 8.370 nan 0.000 0.497 209 G N 0.388 109.179 108.800 -0.014 0.000 2.545 209 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.195 209 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.195 209 G C 0.841 175.744 174.900 0.004 0.000 1.009 209 G CA -0.023 45.076 45.100 -0.002 0.000 0.703 209 G HN 0.557 nan 8.290 nan 0.000 0.479 210 G N 0.471 109.273 108.800 0.003 0.000 2.670 210 G HA2 0.320 4.280 3.960 -0.000 0.000 0.233 210 G HA3 0.320 4.280 3.960 -0.000 0.000 0.233 210 G C 0.527 175.434 174.900 0.012 0.000 1.251 210 G CA 0.541 45.646 45.100 0.009 0.000 0.849 210 G HN 0.165 nan 8.290 nan 0.000 0.588 211 D N -0.152 120.256 120.400 0.012 0.000 2.403 211 D HA -0.096 4.544 4.640 -0.000 0.000 0.227 211 D C 0.926 177.234 176.300 0.013 0.000 0.995 211 D CA 0.332 54.340 54.000 0.013 0.000 0.928 211 D CB 0.020 40.827 40.800 0.011 0.000 0.887 211 D HN 0.309 nan 8.370 nan 0.000 0.529 212 N N 2.454 121.162 118.700 0.014 0.000 2.434 212 N HA 0.001 4.740 4.740 -0.000 0.000 0.268 212 N C -2.382 173.137 175.510 0.015 0.000 1.256 212 N CA -0.808 52.250 53.050 0.014 0.000 0.914 212 N CB 0.947 39.448 38.487 0.024 0.000 1.088 212 N HN 0.030 nan 8.380 nan 0.000 0.478 213 P HA 0.011 nan 4.420 nan 0.000 0.269 213 P C -0.461 176.847 177.300 0.014 0.000 1.215 213 P CA -0.477 62.632 63.100 0.014 0.000 0.780 213 P CB 0.935 32.638 31.700 0.004 0.000 0.898 214 L N 3.618 124.862 121.223 0.035 0.000 2.282 214 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 214 L C -0.224 176.657 176.870 0.020 0.000 1.033 214 L CA -0.624 54.241 54.840 0.042 0.000 0.807 214 L CB 0.826 42.926 42.059 0.067 0.000 1.209 214 L HN 0.186 nan 8.230 nan 0.000 0.423 215 R N 3.895 124.395 120.500 -0.001 0.000 2.295 215 R HA 0.692 5.032 4.340 -0.000 0.000 0.324 215 R C -1.106 175.135 176.300 -0.098 0.000 0.968 215 R CA -0.462 55.607 56.100 -0.052 0.000 0.837 215 R CB 1.700 31.976 30.300 -0.040 0.000 1.133 215 R HN 0.475 nan 8.270 nan 0.000 0.450 216 V N 3.641 123.365 119.914 -0.316 0.000 2.513 216 V HA 0.435 4.555 4.120 -0.000 0.000 0.299 216 V C -0.317 175.514 176.094 -0.438 0.000 1.035 216 V CA -0.785 61.250 62.300 -0.442 0.000 0.889 216 V CB 1.814 33.154 31.823 -0.804 0.000 0.988 216 V HN 0.655 nan 8.190 nan 0.000 0.440 217 Q N 4.377 124.073 119.800 -0.174 0.000 2.304 217 Q HA 0.664 5.004 4.340 -0.000 0.000 0.270 217 Q C -1.406 174.661 176.000 0.111 0.000 1.035 217 Q CA -0.461 55.327 55.803 -0.026 0.000 0.781 217 Q CB 3.056 31.825 28.738 0.052 0.000 1.261 217 Q HN 0.637 nan 8.270 nan 0.000 0.444 218 I N 1.405 122.044 120.570 0.115 0.000 2.436 218 I HA 0.571 4.741 4.170 -0.000 0.000 0.289 218 I C 0.308 176.532 176.117 0.178 0.000 1.010 218 I CA -0.653 60.719 61.300 0.119 0.000 1.098 218 I CB 1.898 39.977 38.000 0.132 0.000 1.266 218 I HN 0.669 nan 8.210 nan 0.000 0.434 219 G N 2.571 111.450 108.800 0.133 0.000 2.887 219 G HA2 0.317 4.277 3.960 -0.000 0.000 0.277 219 G HA3 0.317 4.277 3.960 -0.000 0.000 0.277 219 G C 0.481 175.421 174.900 0.066 0.000 1.346 219 G CA -0.288 44.926 45.100 0.190 0.000 1.058 219 G HN 0.511 nan 8.290 nan 0.000 0.535 220 S N -0.500 115.248 115.700 0.082 0.000 2.399 220 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 220 S C 1.263 175.863 174.600 -0.001 0.000 1.022 220 S CA 1.584 59.825 58.200 0.068 0.000 0.983 220 S CB -0.160 63.080 63.200 0.067 0.000 0.803 220 S HN 0.594 nan 8.310 nan 0.000 0.480 221 N N 0.416 119.058 118.700 -0.097 0.000 2.307 221 N HA 0.291 5.031 4.740 -0.000 0.000 0.248 221 N C -1.295 174.011 175.510 -0.339 0.000 1.322 221 N CA -0.213 52.743 53.050 -0.156 0.000 0.861 221 N CB 0.753 39.173 38.487 -0.111 0.000 1.303 221 N HN 0.180 nan 8.380 nan 0.000 0.498 222 N N 0.271 118.654 118.700 -0.528 0.000 2.591 222 N HA 0.530 5.270 4.740 -0.000 0.000 0.263 222 N C -1.901 173.150 175.510 -0.765 0.000 1.308 222 N CA -0.638 51.885 53.050 -0.879 0.000 0.837 222 N CB 2.378 39.737 38.487 -1.880 0.000 1.548 222 N HN -0.020 nan 8.380 nan 0.000 0.493 223 I N 0.005 120.218 120.570 -0.594 0.000 2.647 223 I HA 0.565 4.735 4.170 -0.000 0.000 0.295 223 I C -1.386 174.591 176.117 -0.233 0.000 1.078 223 I CA -0.715 60.395 61.300 -0.317 0.000 1.048 223 I CB 1.648 39.507 38.000 -0.235 0.000 1.239 223 I HN 0.508 nan 8.210 nan 0.000 0.421 224 R N 5.960 126.461 120.500 0.003 0.000 2.628 224 R HA 0.855 5.195 4.340 -0.000 0.000 0.288 224 R C -1.962 174.371 176.300 0.056 0.000 0.980 224 R CA -0.561 55.579 56.100 0.067 0.000 0.891 224 R CB 2.011 32.486 30.300 0.293 0.000 1.188 224 R HN 0.700 nan 8.270 nan 0.000 0.450 225 A N 3.551 126.437 122.820 0.109 0.000 2.343 225 A HA 0.375 4.695 4.320 -0.000 0.000 0.308 225 A C -1.679 176.027 177.584 0.204 0.000 1.092 225 A CA -0.608 51.512 52.037 0.139 0.000 0.751 225 A CB 0.957 20.068 19.000 0.185 0.000 1.203 225 A HN 0.922 nan 8.150 nan 0.000 0.452 226 H N 1.524 120.630 119.070 0.061 0.000 2.505 226 H HA 0.664 5.220 4.556 -0.000 0.000 0.338 226 H C -1.604 173.768 175.328 0.074 0.000 1.057 226 H CA -0.733 55.359 56.048 0.073 0.000 1.202 226 H CB 1.401 31.181 29.762 0.030 0.000 1.466 226 H HN 0.423 nan 8.280 nan 0.000 0.499 227 V N 5.448 125.610 119.914 0.412 0.000 2.569 227 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 227 V C 0.909 177.182 176.094 0.299 0.000 1.044 227 V CA 0.056 62.489 62.300 0.220 0.000 0.874 227 V CB 0.918 32.831 31.823 0.151 0.000 1.002 227 V HN 1.225 nan 8.190 nan 0.000 0.424 228 G N 4.433 113.308 108.800 0.126 0.000 2.651 228 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.315 228 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.315 228 G C 0.191 175.198 174.900 0.179 0.000 1.258 228 G CA 0.733 45.913 45.100 0.135 0.000 1.002 228 G HN 0.708 nan 8.290 nan 0.000 0.551 229 D N 0.996 121.468 120.400 0.119 0.000 2.587 229 D HA 0.401 5.041 4.640 -0.000 0.000 0.233 229 D C -0.179 175.929 176.300 -0.320 0.000 1.213 229 D CA 0.335 54.295 54.000 -0.066 0.000 0.827 229 D CB -0.097 40.557 40.800 -0.244 0.000 1.006 229 D HN 0.152 nan 8.370 nan 0.000 0.490 230 F N 0.537 120.565 119.950 0.129 0.000 2.507 230 F HA 0.487 5.014 4.527 -0.000 0.000 0.325 230 F C 0.312 176.114 175.800 0.003 0.000 1.116 230 F CA -0.874 57.157 58.000 0.051 0.000 0.930 230 F CB 1.964 40.999 39.000 0.059 0.000 1.146 230 F HN -0.288 nan 8.300 nan 0.000 0.447 231 I N 4.025 124.631 120.570 0.060 0.000 2.439 231 I HA 0.271 4.441 4.170 -0.000 0.000 0.285 231 I C -1.343 174.853 176.117 0.130 0.000 1.021 231 I CA -0.704 60.565 61.300 -0.053 0.000 1.091 231 I CB 1.833 39.653 38.000 -0.300 0.000 1.242 231 I HN 0.405 nan 8.210 nan 0.000 0.439 232 F N 5.948 125.912 119.950 0.024 0.000 2.436 232 F HA 0.660 5.187 4.527 -0.000 0.000 0.340 232 F C -0.438 175.378 175.800 0.027 0.000 1.113 232 F CA -0.169 57.848 58.000 0.029 0.000 1.022 232 F CB 1.598 40.610 39.000 0.020 0.000 1.128 232 F HN 0.287 nan 8.300 nan 0.000 0.466 233 T N 4.290 118.338 114.554 -0.843 0.000 2.886 233 T HA 0.563 4.913 4.350 -0.000 0.000 0.292 233 T C -1.236 172.896 174.700 -0.947 0.000 1.012 233 T CA -0.762 60.920 62.100 -0.696 0.000 0.982 233 T CB 1.548 70.299 68.868 -0.194 0.000 1.018 233 T HN 0.625 nan 8.240 nan 0.000 0.451 234 S N 1.836 117.092 115.700 -0.739 0.000 2.546 234 S HA 0.580 5.050 4.470 -0.000 0.000 0.274 234 S C -1.063 173.317 174.600 -0.366 0.000 1.121 234 S CA -0.918 56.989 58.200 -0.489 0.000 0.887 234 S CB 0.940 63.934 63.200 -0.343 0.000 1.094 234 S HN 0.399 nan 8.310 nan 0.000 0.474 235 K N 2.272 122.520 120.400 -0.253 0.000 2.168 235 K HA 0.445 4.765 4.320 -0.000 0.000 0.258 235 K C -0.192 176.312 176.600 -0.159 0.000 1.010 235 K CA -0.220 55.930 56.287 -0.228 0.000 0.929 235 K CB 0.360 32.771 32.500 -0.148 0.000 0.998 235 K HN 0.624 nan 8.250 nan 0.000 0.479 236 L N 0.681 121.821 121.223 -0.139 0.000 2.358 236 L HA 0.392 4.732 4.340 -0.000 0.000 0.268 236 L C -0.107 176.766 176.870 0.004 0.000 1.032 236 L CA -1.300 53.499 54.840 -0.067 0.000 0.805 236 L CB 1.409 43.423 42.059 -0.074 0.000 1.253 236 L HN 0.129 nan 8.230 nan 0.000 0.452 237 V N 0.251 120.203 119.914 0.064 0.000 2.465 237 V HA 0.158 4.278 4.120 -0.000 0.000 0.279 237 V C -0.490 175.705 176.094 0.167 0.000 1.045 237 V CA -0.646 61.745 62.300 0.152 0.000 0.938 237 V CB 1.298 33.249 31.823 0.214 0.000 0.986 237 V HN 0.575 nan 8.190 nan 0.000 0.467 238 D N 4.443 124.973 120.400 0.217 0.000 2.380 238 D HA 0.590 5.230 4.640 -0.000 0.000 0.230 238 D C 0.339 176.819 176.300 0.300 0.000 1.154 238 D CA 0.505 54.619 54.000 0.191 0.000 0.859 238 D CB 1.760 42.638 40.800 0.130 0.000 1.045 238 D HN 0.840 nan 8.370 nan 0.000 0.495 239 G N 1.329 110.204 108.800 0.125 0.000 2.506 239 G HA2 0.329 4.289 3.960 -0.000 0.000 0.292 239 G HA3 0.329 4.289 3.960 -0.000 0.000 0.292 239 G C -1.190 173.571 174.900 -0.232 0.000 1.425 239 G CA -1.065 44.008 45.100 -0.045 0.000 0.788 239 G HN 0.394 nan 8.290 nan 0.000 0.490 240 R N -0.100 120.084 120.500 -0.526 0.000 2.287 240 R HA 0.541 4.881 4.340 -0.000 0.000 0.327 240 R C -1.019 174.911 176.300 -0.616 0.000 1.109 240 R CA -0.681 55.152 56.100 -0.445 0.000 1.013 240 R CB 0.756 30.843 30.300 -0.354 0.000 1.126 240 R HN 0.228 nan 8.270 nan 0.000 0.503 241 F N 5.206 124.919 119.950 -0.395 0.000 2.443 241 F HA 0.259 4.786 4.527 -0.000 0.000 0.353 241 F C -1.336 174.370 175.800 -0.158 0.000 1.101 241 F CA -1.916 55.947 58.000 -0.228 0.000 1.226 241 F CB 0.679 39.625 39.000 -0.089 0.000 1.140 241 F HN 0.525 nan 8.300 nan 0.000 0.557 242 P HA -0.002 nan 4.420 nan 0.000 0.269 242 P C -1.219 176.118 177.300 0.063 0.000 1.215 242 P CA -0.241 62.761 63.100 -0.162 0.000 0.780 242 P CB 0.637 32.181 31.700 -0.260 0.000 0.898 243 D N 0.941 121.348 120.400 0.012 0.000 2.347 243 D HA 0.016 4.656 4.640 -0.000 0.000 0.235 243 D C 1.094 177.387 176.300 -0.010 0.000 1.149 243 D CA -0.478 53.531 54.000 0.014 0.000 0.850 243 D CB 0.211 40.967 40.800 -0.073 0.000 1.061 243 D HN 0.355 nan 8.370 nan 0.000 0.487 244 Y N 3.966 124.272 120.300 0.011 0.000 2.333 244 Y HA -0.077 4.473 4.550 -0.000 0.000 0.290 244 Y C 1.722 177.603 175.900 -0.031 0.000 1.144 244 Y CA 0.939 59.029 58.100 -0.016 0.000 1.228 244 Y CB -0.307 38.136 38.460 -0.028 0.000 0.985 244 Y HN 0.269 nan 8.280 nan 0.000 0.542 245 R N 0.707 120.670 120.500 -0.895 0.000 2.120 245 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 245 R C 1.897 178.030 176.300 -0.278 0.000 1.123 245 R CA 1.612 57.305 56.100 -0.678 0.000 0.975 245 R CB -0.304 29.624 30.300 -0.620 0.000 0.866 245 R HN 0.427 nan 8.270 nan 0.000 0.446 246 R N 0.050 120.432 120.500 -0.197 0.000 2.310 246 R HA 0.084 4.424 4.340 -0.000 0.000 0.202 246 R C 1.404 177.664 176.300 -0.068 0.000 0.933 246 R CA 0.177 56.211 56.100 -0.110 0.000 1.054 246 R CB 0.511 30.755 30.300 -0.092 0.000 0.985 246 R HN 0.054 nan 8.270 nan 0.000 0.489 247 V N 0.485 120.366 119.914 -0.055 0.000 3.085 247 V HA 0.051 4.171 4.120 -0.000 0.000 0.245 247 V C 0.891 176.986 176.094 0.003 0.000 1.114 247 V CA 0.364 62.655 62.300 -0.015 0.000 1.108 247 V CB 0.139 31.965 31.823 0.005 0.000 0.798 247 V HN 0.162 nan 8.190 nan 0.000 0.471 248 L N 3.758 124.984 121.223 0.005 0.000 2.462 248 L HA 0.205 4.545 4.340 -0.000 0.000 0.272 248 L C -1.878 174.997 176.870 0.009 0.000 1.166 248 L CA -0.793 54.059 54.840 0.021 0.000 0.880 248 L CB 0.005 42.089 42.059 0.040 0.000 1.142 248 L HN 0.187 nan 8.230 nan 0.000 0.473 249 P HA 0.019 nan 4.420 nan 0.000 0.267 249 P C -0.649 176.666 177.300 0.025 0.000 1.200 249 P CA -0.247 62.870 63.100 0.028 0.000 0.772 249 P CB 0.682 32.408 31.700 0.044 0.000 0.855 250 K N 2.962 123.376 120.400 0.025 0.000 2.253 250 K HA 0.147 4.467 4.320 -0.000 0.000 0.277 250 K C 0.309 176.934 176.600 0.042 0.000 1.053 250 K CA -0.476 55.824 56.287 0.023 0.000 0.892 250 K CB -0.059 32.447 32.500 0.009 0.000 1.102 250 K HN 0.407 nan 8.250 nan 0.000 0.469 251 N N 1.410 120.142 118.700 0.053 0.000 2.699 251 N HA -0.150 4.590 4.740 -0.000 0.000 0.256 251 N C -2.490 173.085 175.510 0.107 0.000 0.993 251 N CA 0.355 53.451 53.050 0.076 0.000 0.759 251 N CB -1.322 37.195 38.487 0.049 0.000 0.906 251 N HN 0.408 nan 8.380 nan 0.000 0.541 252 P HA -0.006 nan 4.420 nan 0.000 0.262 252 P C 0.911 178.367 177.300 0.260 0.000 1.182 252 P CA 0.128 63.333 63.100 0.174 0.000 0.761 252 P CB 0.474 32.266 31.700 0.152 0.000 0.795 253 D N 2.356 122.854 120.400 0.163 0.000 2.354 253 D HA -0.040 4.600 4.640 -0.000 0.000 0.209 253 D C -0.218 176.130 176.300 0.081 0.000 1.015 253 D CA 0.527 54.571 54.000 0.073 0.000 0.867 253 D CB 0.273 41.095 40.800 0.035 0.000 0.933 253 D HN 0.348 nan 8.370 nan 0.000 0.520 254 K N 0.863 121.419 120.400 0.261 0.000 2.316 254 K HA 0.304 4.624 4.320 -0.000 0.000 0.267 254 K C -1.182 175.764 176.600 0.576 0.000 1.025 254 K CA -0.612 55.894 56.287 0.366 0.000 0.896 254 K CB 1.144 33.873 32.500 0.382 0.000 1.124 254 K HN 0.037 nan 8.250 nan 0.000 0.451 255 H N 2.055 121.280 119.070 0.259 0.000 2.505 255 H HA 0.362 4.918 4.556 -0.000 0.000 0.338 255 H C -0.991 174.527 175.328 0.316 0.000 1.057 255 H CA -0.791 55.383 56.048 0.210 0.000 1.202 255 H CB 1.141 30.978 29.762 0.125 0.000 1.466 255 H HN 0.415 nan 8.280 nan 0.000 0.499 256 L N 2.151 123.560 121.223 0.310 0.000 2.365 256 L HA 0.522 4.862 4.340 -0.000 0.000 0.273 256 L C -0.562 176.393 176.870 0.141 0.000 1.000 256 L CA -0.593 54.387 54.840 0.234 0.000 0.819 256 L CB 1.808 43.881 42.059 0.024 0.000 1.284 256 L HN 0.647 nan 8.230 nan 0.000 0.418 257 E N 4.125 124.406 120.200 0.135 0.000 2.248 257 E HA 0.812 5.162 4.350 -0.000 0.000 0.267 257 E C -1.767 174.875 176.600 0.070 0.000 0.877 257 E CA -0.698 55.756 56.400 0.090 0.000 0.759 257 E CB 2.159 31.912 29.700 0.089 0.000 1.182 257 E HN 0.820 nan 8.360 nan 0.000 0.418 258 A N 2.449 125.301 122.820 0.052 0.000 2.610 258 A HA 0.688 5.008 4.320 -0.000 0.000 0.291 258 A C -0.359 177.243 177.584 0.031 0.000 1.086 258 A CA -0.306 51.754 52.037 0.039 0.000 0.677 258 A CB 1.288 20.308 19.000 0.032 0.000 1.278 258 A HN 0.656 nan 8.150 nan 0.000 0.414 259 G N -0.522 108.291 108.800 0.022 0.000 2.340 259 G HA2 0.341 4.301 3.960 -0.000 0.000 0.245 259 G HA3 0.341 4.301 3.960 -0.000 0.000 0.245 259 G C 1.099 176.009 174.900 0.017 0.000 1.294 259 G CA 0.473 45.583 45.100 0.017 0.000 0.896 259 G HN 1.414 nan 8.290 nan 0.000 0.522 260 C N 1.919 121.228 119.300 0.014 0.000 2.413 260 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 260 C C 2.447 177.444 174.990 0.012 0.000 1.228 260 C CA 1.830 60.855 59.018 0.012 0.000 1.731 260 C CB -0.795 26.944 27.740 -0.002 0.000 2.042 260 C HN 0.968 nan 8.230 nan 0.000 0.468 261 D N -0.260 120.142 120.400 0.004 0.000 2.104 261 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 261 D C 2.133 178.436 176.300 0.004 0.000 0.994 261 D CA 1.655 55.656 54.000 0.002 0.000 0.830 261 D CB -0.307 40.492 40.800 -0.002 0.000 0.959 261 D HN 0.570 nan 8.370 nan 0.000 0.452 262 L N -0.299 120.925 121.223 0.000 0.000 2.046 262 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 262 L C 2.469 179.328 176.870 -0.018 0.000 1.077 262 L CA 0.525 55.358 54.840 -0.011 0.000 0.747 262 L CB -0.451 41.600 42.059 -0.013 0.000 0.896 262 L HN 0.238 nan 8.230 nan 0.000 0.432 263 L N 0.261 121.487 121.223 0.004 0.000 2.017 263 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 263 L C 2.595 179.528 176.870 0.106 0.000 1.073 263 L CA 1.814 56.666 54.840 0.019 0.000 0.745 263 L CB -0.542 41.574 42.059 0.095 0.000 0.894 263 L HN 0.126 nan 8.230 nan 0.000 0.432 264 K N -1.309 119.159 120.400 0.114 0.000 2.026 264 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 264 K C 2.050 178.706 176.600 0.095 0.000 1.048 264 K CA 1.568 57.931 56.287 0.127 0.000 0.929 264 K CB -0.057 32.468 32.500 0.041 0.000 0.713 264 K HN 0.334 nan 8.250 nan 0.000 0.439 265 Q N 0.025 119.847 119.800 0.036 0.000 2.167 265 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 265 Q C 2.024 178.025 176.000 0.002 0.000 0.970 265 Q CA 1.450 57.263 55.803 0.016 0.000 0.855 265 Q CB -0.357 28.380 28.738 -0.002 0.000 0.911 265 Q HN 0.438 nan 8.270 nan 0.000 0.438 266 A N 0.081 122.876 122.820 -0.042 0.000 1.873 266 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 266 A C 1.883 179.403 177.584 -0.108 0.000 1.186 266 A CA 1.086 53.050 52.037 -0.121 0.000 0.616 266 A CB -0.757 18.099 19.000 -0.239 0.000 0.823 266 A HN 0.254 nan 8.150 nan 0.000 0.442 267 F N 0.287 120.233 119.950 -0.006 0.000 2.171 267 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 267 F C 2.789 178.584 175.800 -0.009 0.000 1.090 267 F CA 0.780 58.778 58.000 -0.003 0.000 1.293 267 F CB -0.646 38.346 39.000 -0.013 0.000 1.013 267 F HN 0.259 nan 8.300 nan 0.000 0.486 268 A N 0.051 122.971 122.820 0.167 0.000 1.902 268 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 268 A C 2.366 179.982 177.584 0.053 0.000 1.181 268 A CA 1.587 53.675 52.037 0.084 0.000 0.623 268 A CB -0.583 18.445 19.000 0.047 0.000 0.818 268 A HN 0.302 nan 8.150 nan 0.000 0.443 269 R N -0.746 119.775 120.500 0.036 0.000 2.073 269 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 269 R C 2.521 178.836 176.300 0.024 0.000 1.120 269 R CA 1.098 57.208 56.100 0.017 0.000 0.967 269 R CB -0.449 29.849 30.300 -0.002 0.000 0.862 269 R HN 0.501 nan 8.270 nan 0.000 0.436 270 A N 1.405 124.246 122.820 0.035 0.000 1.933 270 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 270 A C 2.364 179.987 177.584 0.065 0.000 1.175 270 A CA 1.680 53.745 52.037 0.048 0.000 0.628 270 A CB -0.612 18.425 19.000 0.062 0.000 0.814 270 A HN 0.398 nan 8.150 nan 0.000 0.444 271 A N 0.048 122.918 122.820 0.082 0.000 2.024 271 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 271 A C 2.022 179.625 177.584 0.031 0.000 1.164 271 A CA 1.510 53.584 52.037 0.062 0.000 0.643 271 A CB -0.703 18.331 19.000 0.056 0.000 0.806 271 A HN 0.549 nan 8.150 nan 0.000 0.451 272 I N -0.681 119.903 120.570 0.024 0.000 2.264 272 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 272 I C 1.339 177.461 176.117 0.009 0.000 1.111 272 I CA 1.132 62.438 61.300 0.010 0.000 1.382 272 I CB -0.197 37.807 38.000 0.007 0.000 1.060 272 I HN 0.245 nan 8.210 nan 0.000 0.418 273 L N 0.516 121.749 121.223 0.017 0.000 2.791 273 L HA 0.178 4.518 4.340 -0.000 0.000 0.239 273 L C 0.899 177.783 176.870 0.024 0.000 1.203 273 L CA -0.354 54.496 54.840 0.016 0.000 1.002 273 L CB -0.386 41.682 42.059 0.016 0.000 1.295 273 L HN 0.212 nan 8.230 nan 0.000 0.504 274 S N -1.519 114.196 115.700 0.026 0.000 2.672 274 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 274 S C 0.237 174.848 174.600 0.018 0.000 1.207 274 S CA -0.733 57.487 58.200 0.034 0.000 1.002 274 S CB 1.444 64.669 63.200 0.041 0.000 0.998 274 S HN 0.248 nan 8.310 nan 0.000 0.542 275 N N 1.084 119.804 118.700 0.034 0.000 2.411 275 N HA -0.055 4.685 4.740 -0.000 0.000 0.261 275 N C 0.897 176.375 175.510 -0.053 0.000 1.248 275 N CA 0.359 53.416 53.050 0.012 0.000 0.885 275 N CB 0.356 38.904 38.487 0.102 0.000 1.062 275 N HN 0.757 nan 8.380 nan 0.000 0.471 276 E N 2.993 123.137 120.200 -0.094 0.000 2.209 276 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 276 E C 1.174 177.668 176.600 -0.176 0.000 0.993 276 E CA 1.076 57.408 56.400 -0.115 0.000 0.819 276 E CB 0.274 29.913 29.700 -0.103 0.000 0.745 276 E HN 0.631 nan 8.360 nan 0.000 0.477 277 K N -0.190 120.018 120.400 -0.319 0.000 2.262 277 K HA 0.013 4.333 4.320 -0.000 0.000 0.200 277 K C 1.493 177.885 176.600 -0.346 0.000 1.058 277 K CA 0.255 56.288 56.287 -0.423 0.000 0.974 277 K CB 0.251 32.333 32.500 -0.696 0.000 0.910 277 K HN -0.044 nan 8.250 nan 0.000 0.484 278 F N 1.360 121.272 119.950 -0.062 0.000 2.473 278 F HA 0.232 4.759 4.527 -0.000 0.000 0.294 278 F C 0.538 176.276 175.800 -0.102 0.000 1.103 278 F CA 0.106 58.058 58.000 -0.080 0.000 1.442 278 F CB 0.055 39.021 39.000 -0.056 0.000 1.097 278 F HN -0.056 nan 8.300 nan 0.000 0.547 279 R N 0.192 120.726 120.500 0.057 0.000 3.627 279 R HA -0.161 4.179 4.340 -0.000 0.000 0.281 279 R C 0.492 176.806 176.300 0.023 0.000 1.140 279 R CA 0.703 56.804 56.100 0.002 0.000 0.761 279 R CB -2.654 27.600 30.300 -0.077 0.000 1.181 279 R HN 0.386 nan 8.270 nan 0.000 0.472 280 G N 0.371 109.211 108.800 0.066 0.000 2.403 280 G HA2 0.474 4.434 3.960 -0.000 0.000 0.259 280 G HA3 0.474 4.434 3.960 -0.000 0.000 0.259 280 G C 0.351 175.297 174.900 0.077 0.000 1.244 280 G CA 0.097 45.231 45.100 0.057 0.000 0.849 280 G HN 0.229 nan 8.290 nan 0.000 0.532 281 V N 0.122 120.098 119.914 0.104 0.000 2.962 281 V HA 0.792 4.912 4.120 -0.000 0.000 0.313 281 V C -0.427 175.753 176.094 0.143 0.000 1.099 281 V CA -1.628 60.762 62.300 0.151 0.000 0.971 281 V CB 2.063 34.032 31.823 0.243 0.000 1.028 281 V HN 0.773 nan 8.190 nan 0.000 0.430 282 R N 2.174 122.763 120.500 0.148 0.000 2.514 282 R HA 0.787 5.127 4.340 -0.000 0.000 0.301 282 R C -1.671 174.708 176.300 0.131 0.000 0.962 282 R CA -0.712 55.428 56.100 0.067 0.000 0.882 282 R CB 1.888 32.214 30.300 0.043 0.000 1.143 282 R HN 0.602 nan 8.270 nan 0.000 0.452 283 L N 3.279 124.515 121.223 0.022 0.000 2.322 283 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 283 L C -1.109 175.700 176.870 -0.102 0.000 1.014 283 L CA -0.435 54.466 54.840 0.102 0.000 0.815 283 L CB 0.963 43.145 42.059 0.205 0.000 1.247 283 L HN 0.477 nan 8.230 nan 0.000 0.421 284 Y N 2.607 122.919 120.300 0.019 0.000 2.376 284 Y HA 0.552 5.102 4.550 -0.000 0.000 0.326 284 Y C -0.006 175.882 175.900 -0.019 0.000 0.970 284 Y CA -1.265 56.838 58.100 0.006 0.000 1.248 284 Y CB 1.682 40.146 38.460 0.007 0.000 1.117 284 Y HN 0.341 nan 8.280 nan 0.000 0.476 285 V N 1.029 120.976 119.914 0.054 0.000 2.481 285 V HA 0.961 5.081 4.120 -0.000 0.000 0.286 285 V C -0.155 176.008 176.094 0.115 0.000 1.042 285 V CA -0.501 61.766 62.300 -0.055 0.000 0.928 285 V CB 1.156 32.715 31.823 -0.439 0.000 0.986 285 V HN 0.729 nan 8.190 nan 0.000 0.462 286 S N 1.698 117.513 115.700 0.192 0.000 2.688 286 S HA 0.501 4.971 4.470 -0.000 0.000 0.275 286 S C -0.414 174.372 174.600 0.310 0.000 1.175 286 S CA -0.704 57.651 58.200 0.258 0.000 0.818 286 S CB 1.264 64.554 63.200 0.150 0.000 1.157 286 S HN 1.151 nan 8.310 nan 0.000 0.482 287 E N 1.364 121.679 120.200 0.192 0.000 2.924 287 E HA -0.072 4.278 4.350 -0.000 0.000 0.236 287 E C -0.318 176.362 176.600 0.133 0.000 1.028 287 E CA 0.497 56.974 56.400 0.129 0.000 0.952 287 E CB -0.561 29.173 29.700 0.056 0.000 0.918 287 E HN 0.526 nan 8.360 nan 0.000 0.536 288 N N 2.915 121.715 118.700 0.168 0.000 2.696 288 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 288 N C -0.960 174.613 175.510 0.105 0.000 1.090 288 N CA 1.458 54.588 53.050 0.133 0.000 0.716 288 N CB -0.940 37.593 38.487 0.077 0.000 1.020 288 N HN 0.734 nan 8.380 nan 0.000 0.548 289 Q N -0.313 119.560 119.800 0.121 0.000 2.340 289 Q HA 0.648 4.988 4.340 -0.000 0.000 0.276 289 Q C -1.900 174.129 176.000 0.048 0.000 1.048 289 Q CA -0.854 54.989 55.803 0.067 0.000 0.832 289 Q CB 1.694 30.465 28.738 0.055 0.000 1.373 289 Q HN 0.195 nan 8.270 nan 0.000 0.409 290 L N 2.650 123.880 121.223 0.011 0.000 2.410 290 L HA 0.629 4.969 4.340 -0.000 0.000 0.270 290 L C -1.795 175.069 176.870 -0.011 0.000 0.983 290 L CA -0.153 54.683 54.840 -0.007 0.000 0.822 290 L CB 1.832 43.864 42.059 -0.044 0.000 1.285 290 L HN 0.598 nan 8.230 nan 0.000 0.409 291 K N 5.529 125.953 120.400 0.041 0.000 2.323 291 K HA 0.676 4.996 4.320 -0.000 0.000 0.259 291 K C -1.583 175.075 176.600 0.097 0.000 0.947 291 K CA -0.515 55.785 56.287 0.023 0.000 0.819 291 K CB 1.205 33.688 32.500 -0.028 0.000 1.109 291 K HN 0.721 nan 8.250 nan 0.000 0.429 292 I N 3.677 124.249 120.570 0.004 0.000 2.406 292 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 292 I C -0.160 175.995 176.117 0.062 0.000 0.999 292 I CA -0.632 60.687 61.300 0.031 0.000 1.124 292 I CB 2.115 40.002 38.000 -0.189 0.000 1.289 292 I HN 0.721 nan 8.210 nan 0.000 0.441 293 T N 2.558 117.204 114.554 0.154 0.000 2.916 293 T HA 0.937 5.287 4.350 -0.000 0.000 0.292 293 T C -0.718 174.056 174.700 0.122 0.000 1.055 293 T CA -0.882 61.286 62.100 0.114 0.000 1.009 293 T CB 2.332 71.280 68.868 0.133 0.000 1.118 293 T HN 0.754 nan 8.240 nan 0.000 0.497 294 A N 2.026 124.896 122.820 0.084 0.000 2.574 294 A HA 0.847 5.167 4.320 -0.000 0.000 0.297 294 A C -1.144 176.473 177.584 0.056 0.000 1.062 294 A CA -1.092 50.991 52.037 0.078 0.000 0.686 294 A CB 1.392 20.437 19.000 0.076 0.000 1.285 294 A HN 1.352 nan 8.150 nan 0.000 0.403 295 N N 0.221 118.953 118.700 0.054 0.000 2.494 295 N HA 0.684 5.424 4.740 -0.000 0.000 0.270 295 N C -1.073 174.462 175.510 0.041 0.000 1.285 295 N CA -0.650 52.424 53.050 0.041 0.000 0.812 295 N CB 1.195 39.705 38.487 0.039 0.000 1.557 295 N HN 0.679 nan 8.380 nan 0.000 0.487 296 N N -1.133 117.586 118.700 0.031 0.000 2.653 296 N HA 0.593 5.333 4.740 -0.000 0.000 0.294 296 N C -2.419 173.108 175.510 0.029 0.000 1.305 296 N CA -1.992 51.076 53.050 0.030 0.000 0.827 296 N CB 0.206 38.702 38.487 0.015 0.000 1.415 296 N HN 0.278 nan 8.380 nan 0.000 0.546 297 P HA -0.191 nan 4.420 nan 0.000 0.216 297 P C 0.409 177.719 177.300 0.017 0.000 1.154 297 P CA 1.605 64.721 63.100 0.026 0.000 0.865 297 P CB 0.051 31.763 31.700 0.021 0.000 0.789 298 E N -0.071 120.135 120.200 0.010 0.000 2.321 298 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 298 E C -0.108 176.497 176.600 0.008 0.000 1.125 298 E CA 0.145 56.549 56.400 0.007 0.000 1.005 298 E CB -0.663 29.039 29.700 0.002 0.000 1.140 298 E HN 0.192 nan 8.360 nan 0.000 0.457 299 Q N 0.037 119.845 119.800 0.012 0.000 2.480 299 Q HA -0.217 4.123 4.340 -0.000 0.000 0.265 299 Q C -0.804 175.202 176.000 0.010 0.000 1.072 299 Q CA 1.392 57.203 55.803 0.012 0.000 1.018 299 Q CB -1.873 26.871 28.738 0.010 0.000 1.433 299 Q HN 0.558 nan 8.270 nan 0.000 0.513 300 E N 0.643 120.849 120.200 0.010 0.000 2.343 300 E HA 0.350 4.700 4.350 -0.000 0.000 0.269 300 E C -0.171 176.436 176.600 0.011 0.000 1.047 300 E CA -0.092 56.312 56.400 0.007 0.000 0.874 300 E CB 0.769 30.473 29.700 0.005 0.000 1.033 300 E HN 0.170 nan 8.360 nan 0.000 0.409 301 E N 0.263 120.468 120.200 0.008 0.000 2.314 301 E HA 0.615 4.965 4.350 -0.000 0.000 0.272 301 E C -1.471 175.132 176.600 0.006 0.000 0.884 301 E CA -0.907 55.499 56.400 0.010 0.000 0.753 301 E CB 2.116 31.820 29.700 0.006 0.000 1.213 301 E HN 0.468 nan 8.360 nan 0.000 0.432 302 A N 2.215 125.042 122.820 0.011 0.000 2.386 302 A HA 0.653 4.973 4.320 -0.000 0.000 0.311 302 A C -1.071 176.513 177.584 -0.000 0.000 1.068 302 A CA -0.561 51.478 52.037 0.005 0.000 0.743 302 A CB 1.651 20.659 19.000 0.012 0.000 1.258 302 A HN 0.649 nan 8.150 nan 0.000 0.429 303 E N 1.459 121.649 120.200 -0.017 0.000 2.278 303 E HA 0.439 4.789 4.350 -0.000 0.000 0.272 303 E C -1.518 175.055 176.600 -0.044 0.000 0.890 303 E CA -0.438 55.942 56.400 -0.032 0.000 0.770 303 E CB 1.380 31.051 29.700 -0.047 0.000 1.212 303 E HN 0.583 nan 8.360 nan 0.000 0.415 304 E N 4.238 124.403 120.200 -0.059 0.000 2.234 304 E HA 0.445 4.795 4.350 -0.000 0.000 0.266 304 E C -0.647 175.904 176.600 -0.083 0.000 0.877 304 E CA -0.674 55.679 56.400 -0.078 0.000 0.758 304 E CB 2.093 31.722 29.700 -0.118 0.000 1.170 304 E HN 0.515 nan 8.360 nan 0.000 0.415 305 I N 3.614 124.142 120.570 -0.069 0.000 2.433 305 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 305 I C -0.449 175.634 176.117 -0.056 0.000 1.001 305 I CA -0.625 60.640 61.300 -0.059 0.000 1.119 305 I CB 1.266 39.239 38.000 -0.045 0.000 1.289 305 I HN 0.202 nan 8.210 nan 0.000 0.438 306 L N 4.705 125.896 121.223 -0.054 0.000 2.388 306 L HA 0.517 4.857 4.340 -0.000 0.000 0.264 306 L C -1.000 175.858 176.870 -0.019 0.000 0.998 306 L CA -1.003 53.809 54.840 -0.046 0.000 0.817 306 L CB 2.255 44.271 42.059 -0.071 0.000 1.338 306 L HN 0.435 nan 8.230 nan 0.000 0.414 307 D N 1.973 122.369 120.400 -0.007 0.000 2.264 307 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 307 D C -0.234 176.078 176.300 0.020 0.000 1.113 307 D CA 0.109 54.116 54.000 0.012 0.000 0.871 307 D CB 2.297 43.104 40.800 0.012 0.000 1.167 307 D HN 0.307 nan 8.370 nan 0.000 0.447 308 V N -0.662 119.277 119.914 0.043 0.000 3.165 308 V HA 0.656 4.776 4.120 -0.000 0.000 0.309 308 V C -0.327 175.822 176.094 0.092 0.000 1.267 308 V CA -0.811 61.525 62.300 0.060 0.000 1.067 308 V CB 1.938 33.796 31.823 0.058 0.000 1.082 308 V HN 0.377 nan 8.190 nan 0.000 0.451 309 T N 2.455 117.077 114.554 0.113 0.000 2.770 309 T HA 0.700 5.050 4.350 -0.000 0.000 0.297 309 T C -1.436 173.397 174.700 0.222 0.000 0.997 309 T CA 0.097 62.273 62.100 0.127 0.000 0.949 309 T CB 0.060 68.985 68.868 0.095 0.000 0.941 309 T HN 0.969 nan 8.240 nan 0.000 0.457 310 Y N 1.417 121.744 120.300 0.045 0.000 2.424 310 Y HA 0.410 4.960 4.550 -0.000 0.000 0.323 310 Y C -0.242 175.682 175.900 0.040 0.000 1.174 310 Y CA -0.839 57.293 58.100 0.053 0.000 1.060 310 Y CB 1.597 40.094 38.460 0.061 0.000 1.314 310 Y HN 0.484 nan 8.280 nan 0.000 0.439 311 S N 2.930 118.281 115.700 -0.583 0.000 2.846 311 S HA 0.314 4.784 4.470 -0.000 0.000 0.249 311 S C 0.451 174.673 174.600 -0.630 0.000 1.028 311 S CA 0.054 57.979 58.200 -0.458 0.000 1.043 311 S CB 0.513 63.584 63.200 -0.215 0.000 0.990 311 S HN 0.967 nan 8.310 nan 0.000 0.564 312 G N 1.417 109.416 108.800 -1.334 0.000 2.588 312 G HA2 0.635 4.595 3.960 -0.000 0.000 0.281 312 G HA3 0.635 4.595 3.960 -0.000 0.000 0.281 312 G C 0.130 174.858 174.900 -0.286 0.000 1.236 312 G CA -0.299 44.375 45.100 -0.709 0.000 0.969 312 G HN 0.471 nan 8.290 nan 0.000 0.504 313 A N -0.601 122.220 122.820 0.001 0.000 2.466 313 A HA 0.363 4.683 4.320 -0.000 0.000 0.238 313 A C 0.536 178.252 177.584 0.219 0.000 1.074 313 A CA -0.064 52.025 52.037 0.086 0.000 0.774 313 A CB 0.072 19.115 19.000 0.071 0.000 1.015 313 A HN 0.664 nan 8.150 nan 0.000 0.498 314 E N -0.159 120.142 120.200 0.169 0.000 2.392 314 E HA 0.377 4.726 4.350 -0.000 0.000 0.264 314 E C -0.257 176.425 176.600 0.138 0.000 1.024 314 E CA 0.387 56.897 56.400 0.183 0.000 0.903 314 E CB 0.685 30.465 29.700 0.134 0.000 0.963 314 E HN 0.620 nan 8.360 nan 0.000 0.432 315 M N 1.552 121.218 119.600 0.110 0.000 2.562 315 M HA 0.239 4.719 4.480 -0.000 0.000 0.281 315 M C -1.974 174.306 176.300 -0.034 0.000 1.195 315 M CA -0.383 54.944 55.300 0.044 0.000 0.888 315 M CB 2.097 34.733 32.600 0.060 0.000 1.731 315 M HN 0.380 nan 8.290 nan 0.000 0.493 316 E N 2.943 123.074 120.200 -0.115 0.000 2.238 316 E HA 0.782 5.132 4.350 -0.000 0.000 0.267 316 E C -1.484 174.971 176.600 -0.242 0.000 0.887 316 E CA -0.768 55.448 56.400 -0.307 0.000 0.769 316 E CB 3.378 32.821 29.700 -0.429 0.000 1.187 316 E HN 0.624 nan 8.360 nan 0.000 0.416 317 I N 0.705 121.112 120.570 -0.272 0.000 2.842 317 I HA 0.517 4.687 4.170 -0.000 0.000 0.297 317 I C -1.093 174.827 176.117 -0.327 0.000 1.380 317 I CA -0.482 60.652 61.300 -0.276 0.000 1.018 317 I CB 1.874 39.750 38.000 -0.207 0.000 1.311 317 I HN 0.650 nan 8.210 nan 0.000 0.439 318 G N 4.715 113.242 108.800 -0.456 0.000 2.417 318 G HA2 0.774 4.734 3.960 -0.000 0.000 0.334 318 G HA3 0.774 4.734 3.960 -0.000 0.000 0.334 318 G C -1.755 172.753 174.900 -0.653 0.000 1.150 318 G CA -0.281 44.603 45.100 -0.360 0.000 0.923 318 G HN 0.371 nan 8.290 nan 0.000 0.485 319 F N -0.591 119.363 119.950 0.006 0.000 2.654 319 F HA 0.345 4.872 4.527 -0.000 0.000 0.308 319 F C -0.109 175.676 175.800 -0.026 0.000 1.108 319 F CA -1.279 56.723 58.000 0.004 0.000 0.957 319 F CB 2.119 41.111 39.000 -0.012 0.000 1.309 319 F HN 0.387 nan 8.300 nan 0.000 0.446 320 N N 1.563 120.366 118.700 0.172 0.000 2.431 320 N HA 0.027 4.767 4.740 -0.000 0.000 0.265 320 N C 0.746 176.210 175.510 -0.077 0.000 1.184 320 N CA 0.336 53.340 53.050 -0.077 0.000 0.943 320 N CB 1.590 39.811 38.487 -0.444 0.000 1.080 320 N HN 0.655 nan 8.380 nan 0.000 0.477 321 V N 3.773 123.650 119.914 -0.063 0.000 2.594 321 V HA -0.172 3.948 4.120 -0.000 0.000 0.253 321 V C 1.921 177.939 176.094 -0.126 0.000 1.069 321 V CA 1.821 64.068 62.300 -0.088 0.000 1.082 321 V CB -0.344 31.490 31.823 0.018 0.000 0.680 321 V HN 0.727 nan 8.190 nan 0.000 0.469 322 S N -0.726 114.886 115.700 -0.147 0.000 2.383 322 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 322 S C 1.740 176.344 174.600 0.006 0.000 1.026 322 S CA 1.630 59.768 58.200 -0.103 0.000 0.981 322 S CB -0.374 62.740 63.200 -0.143 0.000 0.818 322 S HN 0.742 nan 8.310 nan 0.000 0.472 323 Y N 1.346 121.632 120.300 -0.023 0.000 2.242 323 Y HA -0.028 4.522 4.550 0.000 0.000 0.291 323 Y C 2.487 178.320 175.900 -0.111 0.000 1.137 323 Y CA -0.355 57.742 58.100 -0.004 0.000 1.181 323 Y CB -1.292 37.190 38.460 0.037 0.000 0.989 323 Y HN 0.053 nan 8.280 nan 0.000 0.527 324 V N -0.034 119.835 119.914 -0.074 0.000 2.307 324 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 324 V C 2.435 178.350 176.094 -0.300 0.000 1.045 324 V CA 1.561 63.666 62.300 -0.324 0.000 1.024 324 V CB -0.908 30.491 31.823 -0.707 0.000 0.651 324 V HN 0.317 nan 8.190 nan 0.000 0.449 325 L N -0.184 120.896 121.223 -0.238 0.000 2.083 325 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 325 L C 2.371 179.112 176.870 -0.215 0.000 1.083 325 L CA 1.469 56.204 54.840 -0.175 0.000 0.752 325 L CB -0.740 41.260 42.059 -0.099 0.000 0.899 325 L HN 0.345 nan 8.230 nan 0.000 0.433 326 D N -0.355 119.925 120.400 -0.200 0.000 2.123 326 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 326 D C 2.305 178.158 176.300 -0.746 0.000 0.992 326 D CA 1.167 54.936 54.000 -0.385 0.000 0.833 326 D CB -0.176 40.548 40.800 -0.126 0.000 0.954 326 D HN 0.100 nan 8.370 nan 0.000 0.455 327 V N 0.924 120.545 119.914 -0.489 0.000 2.307 327 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 327 V C 2.615 178.398 176.094 -0.519 0.000 1.045 327 V CA 1.058 63.000 62.300 -0.597 0.000 1.024 327 V CB -0.451 31.139 31.823 -0.388 0.000 0.651 327 V HN 0.205 nan 8.190 nan 0.000 0.449 328 L N 0.044 121.065 121.223 -0.336 0.000 2.131 328 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 328 L C 2.131 178.870 176.870 -0.218 0.000 1.092 328 L CA 1.793 56.500 54.840 -0.221 0.000 0.759 328 L CB -0.754 41.231 42.059 -0.122 0.000 0.903 328 L HN 0.452 nan 8.230 nan 0.000 0.435 329 N N -0.325 118.209 118.700 -0.277 0.000 2.354 329 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 329 N C 1.884 177.231 175.510 -0.273 0.000 1.021 329 N CA 0.738 53.644 53.050 -0.239 0.000 0.887 329 N CB 0.005 38.349 38.487 -0.238 0.000 0.974 329 N HN 0.279 nan 8.380 nan 0.000 0.437 330 A N 0.736 123.301 122.820 -0.425 0.000 1.970 330 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 330 A C 0.798 178.286 177.584 -0.161 0.000 1.170 330 A CA 0.439 52.274 52.037 -0.336 0.000 0.645 330 A CB -0.155 18.535 19.000 -0.516 0.000 0.816 330 A HN 0.111 nan 8.150 nan 0.000 0.447 331 L N -0.232 120.877 121.223 -0.190 0.000 2.326 331 L HA 0.322 4.662 4.340 -0.000 0.000 0.278 331 L C 0.719 177.553 176.870 -0.059 0.000 1.092 331 L CA -0.384 54.407 54.840 -0.081 0.000 0.810 331 L CB 1.158 43.167 42.059 -0.084 0.000 1.153 331 L HN 0.068 nan 8.230 nan 0.000 0.439 332 K N 2.537 122.924 120.400 -0.022 0.000 2.758 332 K HA 0.198 4.518 4.320 -0.000 0.000 0.208 332 K C -0.366 176.231 176.600 -0.006 0.000 1.091 332 K CA -0.426 55.850 56.287 -0.018 0.000 1.059 332 K CB -0.185 32.308 32.500 -0.012 0.000 0.801 332 K HN 0.711 nan 8.250 nan 0.000 0.470 333 C N -1.791 117.508 119.300 -0.002 0.000 2.345 333 C HA 0.468 4.928 4.460 -0.000 0.000 0.369 333 C C 1.749 176.741 174.990 0.004 0.000 1.273 333 C CA -0.725 58.297 59.018 0.006 0.000 2.310 333 C CB 1.429 29.178 27.740 0.015 0.000 2.219 333 C HN 0.674 nan 8.230 nan 0.000 0.587 334 E N 0.838 121.043 120.200 0.008 0.000 2.051 334 E HA -0.051 4.299 4.350 -0.000 0.000 0.189 334 E C 0.109 176.717 176.600 0.012 0.000 0.979 334 E CA 0.886 57.291 56.400 0.009 0.000 0.803 334 E CB 0.084 29.791 29.700 0.011 0.000 0.761 334 E HN 0.746 nan 8.360 nan 0.000 0.451 335 N N 0.088 118.798 118.700 0.017 0.000 2.240 335 N HA 0.299 5.039 4.740 -0.000 0.000 0.302 335 N C -1.376 174.148 175.510 0.024 0.000 1.106 335 N CA -0.474 52.589 53.050 0.022 0.000 0.778 335 N CB 2.474 40.977 38.487 0.026 0.000 1.431 335 N HN -0.119 nan 8.380 nan 0.000 0.479 336 V N 1.003 120.933 119.914 0.026 0.000 2.715 336 V HA 0.518 4.638 4.120 -0.000 0.000 0.310 336 V C 0.042 176.155 176.094 0.031 0.000 1.054 336 V CA -0.807 61.508 62.300 0.025 0.000 0.928 336 V CB 2.541 34.375 31.823 0.018 0.000 1.007 336 V HN 0.567 nan 8.190 nan 0.000 0.437 337 R N 3.577 124.090 120.500 0.022 0.000 2.534 337 R HA 0.725 5.065 4.340 -0.000 0.000 0.301 337 R C -1.287 175.007 176.300 -0.010 0.000 0.961 337 R CA -0.600 55.508 56.100 0.013 0.000 0.871 337 R CB 1.485 31.782 30.300 -0.005 0.000 1.170 337 R HN 0.748 nan 8.270 nan 0.000 0.446 338 M N 5.269 124.867 119.600 -0.005 0.000 2.294 338 M HA 0.416 4.896 4.480 -0.000 0.000 0.335 338 M C -0.750 175.534 176.300 -0.026 0.000 1.079 338 M CA -0.452 54.834 55.300 -0.023 0.000 0.982 338 M CB 2.301 34.894 32.600 -0.012 0.000 1.651 338 M HN 0.393 nan 8.290 nan 0.000 0.437 339 M N 4.797 124.365 119.600 -0.053 0.000 2.243 339 M HA 0.622 5.102 4.480 -0.000 0.000 0.324 339 M C -1.229 175.108 176.300 0.061 0.000 1.031 339 M CA -0.496 54.778 55.300 -0.043 0.000 0.949 339 M CB 1.829 34.297 32.600 -0.220 0.000 1.615 339 M HN 0.609 nan 8.290 nan 0.000 0.430 340 L N 1.062 122.370 121.223 0.142 0.000 2.309 340 L HA 0.683 5.023 4.340 -0.000 0.000 0.261 340 L C 0.822 177.785 176.870 0.154 0.000 1.021 340 L CA -0.427 54.502 54.840 0.149 0.000 0.823 340 L CB 2.488 44.639 42.059 0.153 0.000 1.366 340 L HN 0.839 nan 8.230 nan 0.000 0.423 341 T N -3.760 110.868 114.554 0.124 0.000 3.221 341 T HA 0.303 4.653 4.350 -0.000 0.000 0.250 341 T C -0.227 174.524 174.700 0.084 0.000 0.988 341 T CA 0.363 62.523 62.100 0.101 0.000 1.163 341 T CB 0.281 69.196 68.868 0.078 0.000 1.098 341 T HN 0.687 nan 8.240 nan 0.000 0.422 342 D N 0.012 120.453 120.400 0.069 0.000 2.677 342 D HA 0.451 5.091 4.640 -0.000 0.000 0.298 342 D C 0.429 176.741 176.300 0.020 0.000 1.250 342 D CA -0.570 53.457 54.000 0.044 0.000 0.888 342 D CB 0.722 41.539 40.800 0.029 0.000 1.397 342 D HN -0.067 nan 8.370 nan 0.000 0.461 343 S N -1.128 114.566 115.700 -0.011 0.000 2.474 343 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 343 S C 1.523 176.075 174.600 -0.081 0.000 0.997 343 S CA 0.865 59.029 58.200 -0.059 0.000 0.949 343 S CB -0.427 62.734 63.200 -0.065 0.000 0.766 343 S HN 0.648 nan 8.310 nan 0.000 0.517 344 V N -1.879 118.008 119.914 -0.044 0.000 3.085 344 V HA 0.480 4.600 4.120 -0.000 0.000 0.345 344 V C -0.012 176.072 176.094 -0.016 0.000 1.397 344 V CA -0.482 61.791 62.300 -0.045 0.000 1.165 344 V CB -0.020 31.783 31.823 -0.032 0.000 1.153 344 V HN 0.133 nan 8.190 nan 0.000 0.495 345 S N 0.139 115.844 115.700 0.007 0.000 2.638 345 S HA 0.677 5.147 4.470 -0.000 0.000 0.302 345 S C 0.177 174.840 174.600 0.105 0.000 1.096 345 S CA -0.404 57.824 58.200 0.047 0.000 0.953 345 S CB 1.957 65.188 63.200 0.051 0.000 1.107 345 S HN 0.471 nan 8.310 nan 0.000 0.503 346 S N 0.834 116.610 115.700 0.127 0.000 2.589 346 S HA 0.356 4.826 4.470 -0.000 0.000 0.265 346 S C -0.179 174.547 174.600 0.211 0.000 1.342 346 S CA -0.517 57.804 58.200 0.202 0.000 1.005 346 S CB 0.879 64.156 63.200 0.129 0.000 0.909 346 S HN 0.541 nan 8.310 nan 0.000 0.555 347 V N 1.572 121.614 119.914 0.212 0.000 2.630 347 V HA 0.492 4.612 4.120 -0.000 0.000 0.305 347 V C -0.514 175.580 176.094 -0.000 0.000 1.046 347 V CA -0.620 61.726 62.300 0.077 0.000 0.934 347 V CB 1.750 33.498 31.823 -0.126 0.000 1.003 347 V HN 0.898 nan 8.190 nan 0.000 0.451 348 Q N 4.901 124.700 119.800 -0.002 0.000 2.293 348 Q HA 0.659 4.999 4.340 -0.000 0.000 0.261 348 Q C -1.453 174.539 176.000 -0.014 0.000 0.960 348 Q CA -0.578 55.225 55.803 -0.000 0.000 0.882 348 Q CB 1.721 30.457 28.738 -0.004 0.000 1.275 348 Q HN 0.797 nan 8.270 nan 0.000 0.445 349 I N 3.569 124.161 120.570 0.036 0.000 2.509 349 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 349 I C -0.593 175.614 176.117 0.149 0.000 1.020 349 I CA -0.587 60.740 61.300 0.046 0.000 1.088 349 I CB 1.949 39.949 38.000 -0.000 0.000 1.267 349 I HN 0.761 nan 8.210 nan 0.000 0.430 350 E N 3.367 123.625 120.200 0.096 0.000 2.429 350 E HA 0.250 4.600 4.350 -0.000 0.000 0.280 350 E C -1.789 174.856 176.600 0.076 0.000 1.068 350 E CA -0.934 55.541 56.400 0.125 0.000 0.837 350 E CB 1.603 31.337 29.700 0.056 0.000 1.357 350 E HN 0.380 nan 8.360 nan 0.000 0.455 351 D N 0.342 120.791 120.400 0.081 0.000 2.417 351 D HA 0.157 4.797 4.640 -0.000 0.000 0.250 351 D C 0.801 177.123 176.300 0.036 0.000 1.166 351 D CA 0.652 54.683 54.000 0.052 0.000 0.881 351 D CB 1.602 42.434 40.800 0.053 0.000 1.164 351 D HN 0.580 nan 8.370 nan 0.000 0.467 352 A N 3.707 126.546 122.820 0.031 0.000 2.070 352 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 352 A C 1.747 179.349 177.584 0.030 0.000 1.159 352 A CA 1.686 53.742 52.037 0.031 0.000 0.656 352 A CB -0.165 18.857 19.000 0.035 0.000 0.800 352 A HN 0.608 nan 8.150 nan 0.000 0.453 353 A N -1.707 121.129 122.820 0.028 0.000 2.430 353 A HA 0.543 4.862 4.320 -0.000 0.000 0.243 353 A C 0.691 178.288 177.584 0.021 0.000 1.254 353 A CA 0.712 52.763 52.037 0.024 0.000 0.914 353 A CB -0.060 18.953 19.000 0.022 0.000 0.998 353 A HN 0.562 nan 8.150 nan 0.000 0.515 354 S N -0.777 114.937 115.700 0.022 0.000 2.566 354 S HA 0.351 4.821 4.470 -0.000 0.000 0.273 354 S C -0.518 174.090 174.600 0.013 0.000 1.157 354 S CA -0.434 57.776 58.200 0.017 0.000 0.938 354 S CB 1.159 64.371 63.200 0.019 0.000 1.087 354 S HN 0.339 nan 8.310 nan 0.000 0.474 355 Q N 2.328 122.130 119.800 0.003 0.000 2.201 355 Q HA 0.216 4.556 4.340 -0.000 0.000 0.217 355 Q C 1.024 177.007 176.000 -0.029 0.000 0.860 355 Q CA -0.157 55.641 55.803 -0.009 0.000 0.984 355 Q CB 0.355 29.091 28.738 -0.004 0.000 1.095 355 Q HN 0.662 nan 8.270 nan 0.000 0.477 356 S N 0.635 116.319 115.700 -0.027 0.000 2.423 356 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 356 S C 0.755 175.300 174.600 -0.092 0.000 1.014 356 S CA 0.712 58.883 58.200 -0.049 0.000 0.965 356 S CB 0.201 63.384 63.200 -0.029 0.000 0.785 356 S HN 0.452 nan 8.310 nan 0.000 0.495 357 A N 0.142 122.908 122.820 -0.089 0.000 2.454 357 A HA 0.875 5.195 4.320 -0.000 0.000 0.302 357 A C -0.893 176.541 177.584 -0.249 0.000 1.079 357 A CA -0.442 51.475 52.037 -0.200 0.000 0.731 357 A CB 1.588 20.514 19.000 -0.123 0.000 1.299 357 A HN 0.388 nan 8.150 nan 0.000 0.413 358 A N 0.458 122.986 122.820 -0.487 0.000 2.486 358 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 358 A C -1.796 175.383 177.584 -0.675 0.000 1.048 358 A CA -0.387 51.428 52.037 -0.369 0.000 0.696 358 A CB 0.956 19.853 19.000 -0.172 0.000 1.278 358 A HN 0.899 nan 8.150 nan 0.000 0.405 359 Y N 0.215 120.507 120.300 -0.013 0.000 2.425 359 Y HA 0.604 5.154 4.550 -0.000 0.000 0.344 359 Y C -0.186 175.699 175.900 -0.025 0.000 0.969 359 Y CA -0.889 57.206 58.100 -0.009 0.000 1.052 359 Y CB 2.519 41.001 38.460 0.037 0.000 1.215 359 Y HN 0.446 nan 8.280 nan 0.000 0.451 360 V N 3.680 123.649 119.914 0.091 0.000 2.588 360 V HA 0.637 4.757 4.120 -0.000 0.000 0.304 360 V C -0.928 175.186 176.094 0.035 0.000 1.042 360 V CA -0.884 61.443 62.300 0.046 0.000 0.877 360 V CB 1.899 33.739 31.823 0.028 0.000 0.996 360 V HN 0.536 nan 8.190 nan 0.000 0.425 361 V N 5.353 125.286 119.914 0.031 0.000 2.531 361 V HA 0.475 4.595 4.120 -0.000 0.000 0.301 361 V C 0.117 176.342 176.094 0.218 0.000 1.034 361 V CA -0.675 61.663 62.300 0.063 0.000 0.865 361 V CB 1.861 33.671 31.823 -0.021 0.000 0.995 361 V HN 1.009 nan 8.190 nan 0.000 0.424 362 M N 5.885 125.620 119.600 0.224 0.000 2.248 362 M HA 0.504 4.984 4.480 -0.000 0.000 0.337 362 M C -2.357 174.156 176.300 0.355 0.000 1.121 362 M CA -1.018 54.429 55.300 0.245 0.000 1.155 362 M CB 0.334 33.040 32.600 0.176 0.000 1.514 362 M HN 0.347 nan 8.290 nan 0.000 0.452 363 P HA 0.237 nan 4.420 nan 0.000 0.274 363 P C -1.430 175.792 177.300 -0.130 0.000 1.256 363 P CA -0.397 62.578 63.100 -0.208 0.000 0.795 363 P CB 1.088 32.626 31.700 -0.269 0.000 1.038 364 M N 0.648 120.091 119.600 -0.261 0.000 2.326 364 M HA 0.374 4.854 4.480 -0.000 0.000 0.306 364 M C -0.404 175.795 176.300 -0.167 0.000 1.054 364 M CA -0.972 54.243 55.300 -0.141 0.000 0.922 364 M CB 1.736 34.283 32.600 -0.088 0.000 1.632 364 M HN 0.103 nan 8.290 nan 0.000 0.436 365 R N 2.836 123.260 120.500 -0.127 0.000 2.585 365 R HA 0.224 4.564 4.340 -0.000 0.000 0.275 365 R C -0.253 175.979 176.300 -0.114 0.000 1.018 365 R CA -0.271 55.758 56.100 -0.118 0.000 1.072 365 R CB -0.320 29.919 30.300 -0.102 0.000 0.953 365 R HN 0.619 nan 8.270 nan 0.000 0.419 366 L N 0.000 121.161 121.223 -0.103 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.791 54.840 -0.081 0.000 0.813 366 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502