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 3ibg_1_F DATA FIRST_RESID 12 DATA SEQUENCE LMEPTLQSIL SQKTLRWIFV GGKGGVGKTT TSCSLAIQLA KVRKSVLLIS DATA SEQUENCE TDPAHNLSDA FGQKFGKEAR LVDGYSNLSA MEIDPNGSIQ DLLASXXXXX DATA SEQUENCE XXXXXXXXXX XXXQDLAFSI PGVDEAMSFA EVLKQVKSLS YEVIVFDTAP DATA SEQUENCE TGHTLRFLQF PTVLEKALAK LSQLSSQFXX XXXSILGARG GLPGGQNIDE DATA SEQUENCE LLQKMESLRE TISEVNTQFK NPDMTTFVCV CIAEFLSLYE TERMIQELTS DATA SEQUENCE YGIDTHAIVV NQLLFPXXXX GCEQCNARRK MQKKYLEQIE ELYEDFNVVR DATA SEQUENCE MPLLVEEVRG KEKLEKFSEM LVHPYVP 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.892 176.870 0.037 0.000 1.165 12 L CA 0.000 54.861 54.840 0.035 0.000 0.813 12 L CB 0.000 42.083 42.059 0.040 0.000 0.961 13 M N 2.624 122.256 119.600 0.053 0.000 1.996 13 M HA 0.234 4.714 4.480 -0.000 0.000 0.268 13 M C -0.827 175.512 176.300 0.067 0.000 0.888 13 M CA -0.622 54.712 55.300 0.058 0.000 0.939 13 M CB 1.432 34.080 32.600 0.079 0.000 1.736 13 M HN 0.459 nan 8.290 nan 0.000 0.407 14 E N 3.764 123.993 120.200 0.047 0.000 2.492 14 E HA -0.020 4.330 4.350 -0.000 0.000 0.266 14 E C -2.365 174.269 176.600 0.056 0.000 1.047 14 E CA -0.596 55.830 56.400 0.043 0.000 0.968 14 E CB 0.051 29.764 29.700 0.022 0.000 0.960 14 E HN 0.251 nan 8.360 nan 0.000 0.452 15 P HA 0.188 nan 4.420 nan 0.000 0.228 15 P C -1.156 176.170 177.300 0.043 0.000 1.748 15 P CA 0.009 63.148 63.100 0.066 0.000 0.909 15 P CB 0.014 31.758 31.700 0.074 0.000 1.882 16 T N 0.123 114.697 114.554 0.032 0.000 2.916 16 T HA 0.324 4.674 4.350 -0.000 0.000 0.305 16 T C 0.615 175.322 174.700 0.013 0.000 1.119 16 T CA -0.532 61.569 62.100 0.002 0.000 1.008 16 T CB 1.483 70.331 68.868 -0.034 0.000 1.129 16 T HN -0.052 nan 8.240 nan 0.000 0.480 17 L N 2.042 123.262 121.223 -0.004 0.000 2.715 17 L HA 0.156 4.496 4.340 -0.000 0.000 0.238 17 L C 2.322 179.191 176.870 -0.002 0.000 1.212 17 L CA 0.119 54.961 54.840 0.002 0.000 1.017 17 L CB -0.322 41.730 42.059 -0.011 0.000 1.269 17 L HN 0.719 nan 8.230 nan 0.000 0.452 18 Q N 0.897 120.688 119.800 -0.015 0.000 2.016 18 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 18 Q C 2.364 178.366 176.000 0.003 0.000 0.978 18 Q CA 2.311 58.098 55.803 -0.026 0.000 0.833 18 Q CB 0.032 28.738 28.738 -0.053 0.000 0.895 18 Q HN 0.551 nan 8.270 nan 0.000 0.427 19 S N -0.206 115.510 115.700 0.027 0.000 2.402 19 S HA -0.200 4.270 4.470 -0.000 0.000 0.233 19 S C 1.878 176.515 174.600 0.061 0.000 1.030 19 S CA 1.472 59.696 58.200 0.040 0.000 1.003 19 S CB -0.593 62.640 63.200 0.055 0.000 0.813 19 S HN 0.487 nan 8.310 nan 0.000 0.477 20 I N 1.143 121.759 120.570 0.076 0.000 2.339 20 I HA -0.026 4.144 4.170 -0.000 0.000 0.245 20 I C 2.183 178.315 176.117 0.026 0.000 1.096 20 I CA 0.866 62.206 61.300 0.067 0.000 1.408 20 I CB -0.334 37.691 38.000 0.042 0.000 1.092 20 I HN 0.249 nan 8.210 nan 0.000 0.423 21 L N -0.056 121.173 121.223 0.010 0.000 2.353 21 L HA -0.155 4.185 4.340 -0.000 0.000 0.220 21 L C 2.344 179.216 176.870 0.002 0.000 1.133 21 L CA 0.811 55.652 54.840 0.001 0.000 0.798 21 L CB -0.592 41.465 42.059 -0.003 0.000 0.922 21 L HN 0.140 nan 8.230 nan 0.000 0.445 22 S N -1.553 114.151 115.700 0.006 0.000 2.470 22 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 22 S C 0.791 175.395 174.600 0.006 0.000 1.006 22 S CA 0.226 58.429 58.200 0.004 0.000 0.934 22 S CB -0.013 63.188 63.200 0.002 0.000 0.778 22 S HN 0.427 nan 8.310 nan 0.000 0.517 23 Q N 1.237 121.044 119.800 0.012 0.000 2.286 23 Q HA 0.171 4.511 4.340 -0.000 0.000 0.267 23 Q C 0.265 176.268 176.000 0.004 0.000 1.028 23 Q CA 0.334 56.145 55.803 0.012 0.000 0.901 23 Q CB 0.583 29.337 28.738 0.027 0.000 1.183 23 Q HN 0.232 nan 8.270 nan 0.000 0.392 24 K N 0.650 121.051 120.400 0.001 0.000 2.358 24 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 24 K C 1.347 177.943 176.600 -0.006 0.000 1.025 24 K CA 0.557 56.840 56.287 -0.006 0.000 1.104 24 K CB 0.642 33.139 32.500 -0.005 0.000 0.855 24 K HN 0.636 nan 8.250 nan 0.000 0.531 25 T N -1.443 113.114 114.554 0.004 0.000 3.060 25 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 25 T C 0.720 175.430 174.700 0.017 0.000 1.079 25 T CA -0.276 61.830 62.100 0.011 0.000 1.013 25 T CB 0.016 68.897 68.868 0.022 0.000 0.975 25 T HN -0.057 nan 8.240 nan 0.000 0.518 26 L N 1.691 122.921 121.223 0.012 0.000 2.453 26 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 26 L C 1.619 178.466 176.870 -0.038 0.000 1.182 26 L CA -0.154 54.695 54.840 0.014 0.000 0.858 26 L CB 0.767 42.834 42.059 0.012 0.000 1.120 26 L HN 0.154 nan 8.230 nan 0.000 0.474 27 R N 1.790 122.259 120.500 -0.052 0.000 2.350 27 R HA 0.121 4.461 4.340 -0.000 0.000 0.199 27 R C -0.791 175.252 176.300 -0.429 0.000 0.876 27 R CA 0.054 56.005 56.100 -0.248 0.000 1.062 27 R CB 0.540 30.680 30.300 -0.266 0.000 1.263 27 R HN 0.486 nan 8.270 nan 0.000 0.641 28 W N 1.622 122.881 121.300 -0.069 0.000 2.362 28 W HA 0.503 5.163 4.660 -0.000 0.000 0.316 28 W C -0.818 175.497 176.519 -0.339 0.000 1.024 28 W CA -0.418 56.788 57.345 -0.232 0.000 1.270 28 W CB 1.033 30.327 29.460 -0.276 0.000 1.273 28 W HN -0.150 nan 8.180 nan 0.000 0.424 29 I N 4.687 125.167 120.570 -0.151 0.000 2.405 29 I HA 0.272 4.442 4.170 -0.000 0.000 0.280 29 I C -0.538 175.444 176.117 -0.224 0.000 1.027 29 I CA -0.878 60.328 61.300 -0.158 0.000 1.161 29 I CB 0.378 38.323 38.000 -0.091 0.000 1.300 29 I HN 0.141 nan 8.210 nan 0.000 0.463 30 F N 5.284 125.124 119.950 -0.184 0.000 2.410 30 F HA 0.379 4.906 4.527 -0.000 0.000 0.334 30 F C 0.494 175.947 175.800 -0.578 0.000 1.134 30 F CA -0.315 57.433 58.000 -0.421 0.000 1.227 30 F CB 1.006 39.525 39.000 -0.802 0.000 1.194 30 F HN 0.021 nan 8.300 nan 0.000 0.571 31 V N 1.572 121.318 119.914 -0.281 0.000 2.524 31 V HA 0.749 4.869 4.120 -0.000 0.000 0.297 31 V C -0.039 175.912 176.094 -0.239 0.000 1.035 31 V CA -0.671 61.457 62.300 -0.286 0.000 0.867 31 V CB 1.274 33.042 31.823 -0.091 0.000 1.004 31 V HN 0.940 nan 8.190 nan 0.000 0.426 32 G N 1.991 110.654 108.800 -0.229 0.000 2.619 32 G HA2 0.871 4.831 3.960 -0.000 0.000 0.296 32 G HA3 0.871 4.831 3.960 -0.000 0.000 0.296 32 G C -0.476 174.505 174.900 0.135 0.000 1.334 32 G CA -0.545 44.604 45.100 0.081 0.000 0.934 32 G HN 1.259 nan 8.290 nan 0.000 0.476 33 G N -0.031 108.826 108.800 0.094 0.000 2.219 33 G HA2 0.421 4.381 3.960 -0.000 0.000 0.304 33 G HA3 0.421 4.381 3.960 -0.000 0.000 0.304 33 G C -1.388 173.522 174.900 0.017 0.000 1.712 33 G CA -0.842 44.284 45.100 0.042 0.000 0.905 33 G HN 0.581 nan 8.290 nan 0.000 0.706 34 K N 0.787 121.183 120.400 -0.007 0.000 2.185 34 K HA 0.613 4.933 4.320 -0.000 0.000 0.269 34 K C 0.862 177.453 176.600 -0.014 0.000 0.987 34 K CA 0.247 56.527 56.287 -0.013 0.000 0.865 34 K CB 1.280 33.762 32.500 -0.030 0.000 1.090 34 K HN 1.942 nan 8.250 nan 0.000 0.450 35 G N 2.354 111.149 108.800 -0.008 0.000 2.270 35 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.224 35 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.224 35 G C 0.531 175.425 174.900 -0.012 0.000 1.079 35 G CA 0.091 45.186 45.100 -0.009 0.000 0.807 35 G HN 1.217 nan 8.290 nan 0.000 0.492 36 G N -2.163 106.630 108.800 -0.011 0.000 2.147 36 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.244 36 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.244 36 G C 1.533 176.420 174.900 -0.021 0.000 1.005 36 G CA 1.493 46.583 45.100 -0.017 0.000 0.713 36 G HN 2.263 nan 8.290 nan 0.000 0.515 37 V N -2.575 117.328 119.914 -0.018 0.000 3.623 37 V HA 0.582 4.702 4.120 -0.000 0.000 0.271 37 V C 1.710 177.796 176.094 -0.012 0.000 1.248 37 V CA 1.293 63.582 62.300 -0.018 0.000 1.156 37 V CB -0.079 31.733 31.823 -0.019 0.000 0.870 37 V HN 2.257 nan 8.190 nan 0.000 0.453 38 G N 0.570 109.357 108.800 -0.023 0.000 2.145 38 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.176 38 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.176 38 G C 0.717 175.608 174.900 -0.016 0.000 1.013 38 G CA 0.399 45.477 45.100 -0.035 0.000 0.689 38 G HN 0.536 nan 8.290 nan 0.000 0.506 39 K N -0.170 120.226 120.400 -0.008 0.000 1.991 39 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 39 K C 2.423 179.021 176.600 -0.003 0.000 1.049 39 K CA 2.147 58.437 56.287 0.005 0.000 0.932 39 K CB -0.470 32.040 32.500 0.016 0.000 0.717 39 K HN 0.288 nan 8.250 nan 0.000 0.441 40 T N 0.669 115.214 114.554 -0.014 0.000 2.665 40 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 40 T C 1.826 176.486 174.700 -0.066 0.000 1.035 40 T CA 2.078 64.163 62.100 -0.024 0.000 1.151 40 T CB -0.434 68.418 68.868 -0.026 0.000 0.862 40 T HN 0.399 nan 8.240 nan 0.000 0.438 41 T N 1.663 116.152 114.554 -0.107 0.000 2.788 41 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 41 T C 2.224 176.892 174.700 -0.054 0.000 1.044 41 T CA 1.672 63.665 62.100 -0.178 0.000 1.139 41 T CB -0.549 68.116 68.868 -0.338 0.000 0.867 41 T HN 0.475 nan 8.240 nan 0.000 0.454 42 T N 1.622 116.193 114.554 0.028 0.000 2.812 42 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 42 T C 2.429 177.155 174.700 0.045 0.000 1.042 42 T CA 1.215 63.376 62.100 0.101 0.000 1.140 42 T CB -0.404 68.517 68.868 0.087 0.000 0.870 42 T HN 0.308 nan 8.240 nan 0.000 0.445 43 S N 1.184 116.890 115.700 0.010 0.000 2.359 43 S HA -0.186 4.284 4.470 -0.000 0.000 0.222 43 S C 2.509 177.112 174.600 0.005 0.000 1.038 43 S CA 1.397 59.598 58.200 0.001 0.000 1.051 43 S CB -0.936 62.268 63.200 0.006 0.000 0.944 43 S HN 0.598 nan 8.310 nan 0.000 0.433 44 C N 1.332 120.625 119.300 -0.011 0.000 2.413 44 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 44 C C 3.148 178.159 174.990 0.036 0.000 1.228 44 C CA 0.987 60.004 59.018 -0.003 0.000 1.731 44 C CB -1.557 26.012 27.740 -0.285 0.000 2.042 44 C HN 0.568 nan 8.230 nan 0.000 0.468 45 S N 0.742 116.469 115.700 0.045 0.000 2.359 45 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 45 S C 1.741 176.385 174.600 0.072 0.000 1.039 45 S CA 1.593 59.862 58.200 0.115 0.000 1.042 45 S CB -0.596 62.754 63.200 0.249 0.000 0.915 45 S HN 0.511 nan 8.310 nan 0.000 0.439 46 L N 1.835 123.086 121.223 0.047 0.000 2.079 46 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 46 L C 2.301 179.165 176.870 -0.010 0.000 1.081 46 L CA 1.947 56.795 54.840 0.013 0.000 0.752 46 L CB -1.206 40.850 42.059 -0.004 0.000 0.896 46 L HN 0.259 nan 8.230 nan 0.000 0.433 47 A N -0.486 122.323 122.820 -0.019 0.000 1.898 47 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 47 A C 2.280 179.813 177.584 -0.084 0.000 1.181 47 A CA 1.819 53.818 52.037 -0.063 0.000 0.620 47 A CB -0.747 18.207 19.000 -0.076 0.000 0.819 47 A HN 0.481 nan 8.150 nan 0.000 0.442 48 I N -0.892 119.648 120.570 -0.049 0.000 2.208 48 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 48 I C 2.732 178.853 176.117 0.006 0.000 1.097 48 I CA 1.797 63.055 61.300 -0.070 0.000 1.363 48 I CB -0.237 37.801 38.000 0.063 0.000 1.051 48 I HN 0.339 nan 8.210 nan 0.000 0.413 49 Q N 0.691 120.508 119.800 0.029 0.000 2.230 49 Q HA -0.066 4.273 4.340 -0.000 0.000 0.202 49 Q C 2.043 178.052 176.000 0.016 0.000 0.963 49 Q CA 1.280 57.106 55.803 0.039 0.000 0.866 49 Q CB -0.072 28.689 28.738 0.039 0.000 0.931 49 Q HN 0.491 nan 8.270 nan 0.000 0.452 50 L N -0.954 120.262 121.223 -0.012 0.000 2.131 50 L HA 0.001 4.341 4.340 -0.000 0.000 0.206 50 L C 2.096 178.953 176.870 -0.022 0.000 1.087 50 L CA 0.829 55.655 54.840 -0.024 0.000 0.767 50 L CB -0.448 41.582 42.059 -0.048 0.000 0.917 50 L HN 0.227 nan 8.230 nan 0.000 0.441 51 A N -0.047 122.754 122.820 -0.033 0.000 2.070 51 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 51 A C 2.196 179.797 177.584 0.028 0.000 1.159 51 A CA 1.398 53.425 52.037 -0.017 0.000 0.656 51 A CB -0.312 18.659 19.000 -0.049 0.000 0.800 51 A HN 0.344 nan 8.150 nan 0.000 0.453 52 K N -0.852 119.572 120.400 0.040 0.000 2.217 52 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 52 K C 1.347 177.967 176.600 0.035 0.000 1.051 52 K CA 1.291 57.610 56.287 0.054 0.000 0.952 52 K CB 0.008 32.547 32.500 0.065 0.000 0.736 52 K HN 0.368 nan 8.250 nan 0.000 0.453 53 V N 0.499 120.425 119.914 0.020 0.000 3.307 53 V HA 0.052 4.172 4.120 -0.000 0.000 0.244 53 V C 0.598 176.694 176.094 0.003 0.000 1.196 53 V CA 0.214 62.521 62.300 0.013 0.000 1.132 53 V CB 0.230 32.059 31.823 0.009 0.000 0.875 53 V HN 0.138 nan 8.190 nan 0.000 0.468 54 R N 0.505 121.003 120.500 -0.004 0.000 2.643 54 R HA 0.364 4.704 4.340 -0.000 0.000 0.272 54 R C 1.071 177.368 176.300 -0.005 0.000 0.995 54 R CA -0.536 55.557 56.100 -0.011 0.000 1.032 54 R CB 1.016 31.300 30.300 -0.026 0.000 1.126 54 R HN 0.062 nan 8.270 nan 0.000 0.505 55 K N 0.561 120.957 120.400 -0.008 0.000 2.057 55 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 55 K C -0.038 176.568 176.600 0.009 0.000 1.049 55 K CA 1.439 57.723 56.287 -0.004 0.000 0.931 55 K CB 0.220 32.711 32.500 -0.016 0.000 0.714 55 K HN 0.686 nan 8.250 nan 0.000 0.440 56 S N -1.276 114.436 115.700 0.019 0.000 2.570 56 S HA 0.560 5.030 4.470 -0.000 0.000 0.270 56 S C -1.099 173.531 174.600 0.051 0.000 1.149 56 S CA -1.159 57.083 58.200 0.071 0.000 0.837 56 S CB 2.523 65.805 63.200 0.138 0.000 1.124 56 S HN -0.124 nan 8.310 nan 0.000 0.465 57 V N 1.797 121.715 119.914 0.006 0.000 2.612 57 V HA 0.537 4.657 4.120 -0.000 0.000 0.301 57 V C -1.280 174.608 176.094 -0.343 0.000 1.059 57 V CA -0.540 61.678 62.300 -0.138 0.000 0.886 57 V CB 1.514 33.251 31.823 -0.145 0.000 1.007 57 V HN 0.913 nan 8.190 nan 0.000 0.426 58 L N 5.767 126.683 121.223 -0.512 0.000 2.295 58 L HA 0.697 5.037 4.340 -0.000 0.000 0.285 58 L C -0.795 175.796 176.870 -0.466 0.000 1.035 58 L CA -0.320 54.066 54.840 -0.757 0.000 0.806 58 L CB 1.444 42.864 42.059 -1.065 0.000 1.214 58 L HN 0.630 nan 8.230 nan 0.000 0.426 59 L N 7.308 128.268 121.223 -0.438 0.000 2.297 59 L HA 0.498 4.838 4.340 -0.000 0.000 0.277 59 L C -0.320 176.348 176.870 -0.336 0.000 1.040 59 L CA -0.216 54.428 54.840 -0.326 0.000 0.867 59 L CB 0.382 42.268 42.059 -0.288 0.000 1.244 59 L HN 0.620 nan 8.230 nan 0.000 0.433 60 I N 0.543 120.917 120.570 -0.327 0.000 2.566 60 I HA 0.699 4.869 4.170 -0.000 0.000 0.303 60 I C -0.313 175.617 176.117 -0.312 0.000 0.983 60 I CA -0.292 60.800 61.300 -0.346 0.000 1.235 60 I CB 1.904 39.651 38.000 -0.423 0.000 1.386 60 I HN 0.569 nan 8.210 nan 0.000 0.494 61 S N 2.836 118.424 115.700 -0.186 0.000 2.614 61 S HA 0.395 4.865 4.470 -0.000 0.000 0.288 61 S C 0.235 174.903 174.600 0.113 0.000 1.137 61 S CA -0.471 57.718 58.200 -0.018 0.000 0.992 61 S CB 1.815 65.049 63.200 0.057 0.000 1.026 61 S HN 0.789 nan 8.310 nan 0.000 0.486 62 T N 2.255 116.946 114.554 0.228 0.000 3.057 62 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 62 T C 0.238 175.083 174.700 0.242 0.000 1.094 62 T CA 0.172 62.470 62.100 0.330 0.000 1.088 62 T CB -0.217 68.980 68.868 0.549 0.000 0.934 62 T HN 0.694 nan 8.240 nan 0.000 0.497 63 D N 2.679 123.199 120.400 0.200 0.000 2.451 63 D HA -0.000 4.640 4.640 -0.000 0.000 0.254 63 D C -1.286 175.008 176.300 -0.010 0.000 1.204 63 D CA -1.830 52.236 54.000 0.111 0.000 0.896 63 D CB 1.396 42.260 40.800 0.107 0.000 1.136 63 D HN 0.126 nan 8.370 nan 0.000 0.499 64 P HA -0.118 nan 4.420 nan 0.000 0.222 64 P C 0.883 177.888 177.300 -0.491 0.000 1.147 64 P CA 0.761 63.677 63.100 -0.305 0.000 0.790 64 P CB 0.174 31.801 31.700 -0.122 0.000 0.780 65 A N -0.521 122.157 122.820 -0.236 0.000 2.014 65 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 65 A C 0.662 178.205 177.584 -0.068 0.000 1.163 65 A CA 0.714 52.670 52.037 -0.135 0.000 0.652 65 A CB -1.772 17.207 19.000 -0.035 0.000 0.808 65 A HN 0.330 nan 8.150 nan 0.000 0.449 66 H N -1.240 117.871 119.070 0.069 0.000 2.604 66 H HA -0.141 4.415 4.556 -0.000 0.000 0.321 66 H C 0.533 175.916 175.328 0.091 0.000 1.132 66 H CA 0.120 56.221 56.048 0.089 0.000 1.129 66 H CB -1.453 28.365 29.762 0.093 0.000 1.526 66 H HN 0.466 nan 8.280 nan 0.000 0.415 67 N N 0.247 119.038 118.700 0.152 0.000 2.512 67 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 67 N C 1.715 177.304 175.510 0.132 0.000 1.073 67 N CA 0.292 53.403 53.050 0.102 0.000 0.911 67 N CB 0.071 38.585 38.487 0.045 0.000 0.964 67 N HN 0.388 nan 8.380 nan 0.000 0.447 68 L N 0.037 121.377 121.223 0.196 0.000 2.187 68 L HA -0.074 4.266 4.340 -0.000 0.000 0.213 68 L C 1.964 179.111 176.870 0.463 0.000 1.100 68 L CA 1.391 56.389 54.840 0.263 0.000 0.765 68 L CB -0.665 41.520 42.059 0.210 0.000 0.904 68 L HN 0.051 nan 8.230 nan 0.000 0.437 69 S N -0.788 115.139 115.700 0.379 0.000 2.336 69 S HA -0.113 4.357 4.470 -0.000 0.000 0.216 69 S C 1.484 176.167 174.600 0.138 0.000 1.032 69 S CA 0.984 59.330 58.200 0.244 0.000 0.973 69 S CB -0.270 62.992 63.200 0.104 0.000 0.888 69 S HN 0.489 nan 8.310 nan 0.000 0.455 70 D N 2.111 122.570 120.400 0.097 0.000 2.228 70 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 70 D C 1.911 178.224 176.300 0.023 0.000 0.988 70 D CA 1.168 55.195 54.000 0.045 0.000 0.864 70 D CB -0.281 40.538 40.800 0.031 0.000 0.928 70 D HN 0.405 nan 8.370 nan 0.000 0.469 71 A N 0.180 123.012 122.820 0.022 0.000 1.872 71 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 71 A C 1.690 179.190 177.584 -0.140 0.000 1.187 71 A CA 0.736 52.707 52.037 -0.110 0.000 0.614 71 A CB -0.578 18.301 19.000 -0.201 0.000 0.826 71 A HN 0.125 nan 8.150 nan 0.000 0.442 72 F N -0.191 119.830 119.950 0.119 0.000 2.765 72 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 72 F C 1.699 177.527 175.800 0.046 0.000 1.111 72 F CA 0.151 58.229 58.000 0.131 0.000 1.359 72 F CB -0.113 39.053 39.000 0.277 0.000 1.097 72 F HN 0.329 nan 8.300 nan 0.000 0.577 73 G N 1.665 110.553 108.800 0.146 0.000 2.338 73 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 73 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 73 G C -0.048 174.841 174.900 -0.018 0.000 1.040 73 G CA 0.638 45.768 45.100 0.049 0.000 1.004 73 G HN 0.476 nan 8.290 nan 0.000 0.509 74 Q N -1.115 118.609 119.800 -0.128 0.000 2.352 74 Q HA 0.417 4.757 4.340 -0.000 0.000 0.270 74 Q C -0.802 174.805 176.000 -0.655 0.000 1.006 74 Q CA -0.989 54.605 55.803 -0.348 0.000 0.880 74 Q CB 1.150 29.660 28.738 -0.382 0.000 1.392 74 Q HN 0.222 nan 8.270 nan 0.000 0.401 75 K N 3.240 123.347 120.400 -0.489 0.000 2.312 75 K HA 0.329 4.649 4.320 -0.000 0.000 0.287 75 K C -1.364 174.938 176.600 -0.498 0.000 1.062 75 K CA -0.013 56.041 56.287 -0.387 0.000 0.934 75 K CB 0.357 32.751 32.500 -0.177 0.000 1.027 75 K HN 0.324 nan 8.250 nan 0.000 0.478 76 F N 1.218 121.152 119.950 -0.028 0.000 2.492 76 F HA 0.524 5.051 4.527 -0.000 0.000 0.327 76 F C 0.976 176.717 175.800 -0.099 0.000 1.079 76 F CA -0.529 57.436 58.000 -0.059 0.000 0.967 76 F CB 1.994 40.959 39.000 -0.058 0.000 1.169 76 F HN 0.626 nan 8.300 nan 0.000 0.472 77 G N 0.794 109.660 108.800 0.109 0.000 3.257 77 G HA2 0.299 4.259 3.960 -0.000 0.000 0.205 77 G HA3 0.299 4.259 3.960 -0.000 0.000 0.205 77 G C -0.115 174.770 174.900 -0.025 0.000 1.234 77 G CA -0.624 44.476 45.100 0.000 0.000 0.918 77 G HN 0.532 nan 8.290 nan 0.000 0.602 78 K N -0.138 120.246 120.400 -0.026 0.000 2.426 78 K HA 0.163 4.483 4.320 -0.000 0.000 0.193 78 K C 0.001 176.588 176.600 -0.022 0.000 1.028 78 K CA 0.316 56.586 56.287 -0.028 0.000 1.047 78 K CB 0.187 32.678 32.500 -0.016 0.000 0.821 78 K HN 0.240 nan 8.250 nan 0.000 0.513 79 E N 0.759 120.954 120.200 -0.007 0.000 2.197 79 E HA 0.186 4.536 4.350 -0.000 0.000 0.281 79 E C -0.980 175.622 176.600 0.005 0.000 0.995 79 E CA -0.359 56.041 56.400 0.001 0.000 0.808 79 E CB 1.673 31.379 29.700 0.009 0.000 1.093 79 E HN 0.185 nan 8.360 nan 0.000 0.394 80 A N 5.051 127.869 122.820 -0.002 0.000 2.438 80 A HA 0.206 4.526 4.320 -0.000 0.000 0.280 80 A C 0.300 177.896 177.584 0.020 0.000 1.160 80 A CA -0.181 51.842 52.037 -0.023 0.000 0.821 80 A CB 0.007 18.997 19.000 -0.016 0.000 1.101 80 A HN 0.452 nan 8.150 nan 0.000 0.515 81 R N 1.704 122.226 120.500 0.037 0.000 2.674 81 R HA 0.587 4.927 4.340 -0.000 0.000 0.266 81 R C -1.036 175.300 176.300 0.060 0.000 1.016 81 R CA -1.028 55.126 56.100 0.090 0.000 1.062 81 R CB 0.887 31.298 30.300 0.184 0.000 1.142 81 R HN 0.521 nan 8.270 nan 0.000 0.517 82 L N 1.796 123.062 121.223 0.071 0.000 2.281 82 L HA 0.138 4.478 4.340 -0.000 0.000 0.285 82 L C -0.557 176.357 176.870 0.072 0.000 1.074 82 L CA -0.253 54.615 54.840 0.047 0.000 0.817 82 L CB 1.504 43.594 42.059 0.052 0.000 1.168 82 L HN 0.347 nan 8.230 nan 0.000 0.434 83 V N 5.789 125.701 119.914 -0.003 0.000 2.493 83 V HA -0.056 4.064 4.120 -0.000 0.000 0.292 83 V C 1.233 177.380 176.094 0.089 0.000 1.016 83 V CA -0.121 62.163 62.300 -0.028 0.000 1.097 83 V CB 0.172 31.726 31.823 -0.449 0.000 0.947 83 V HN 0.769 nan 8.190 nan 0.000 0.479 84 D N 5.188 125.630 120.400 0.070 0.000 2.192 84 D HA -0.181 4.459 4.640 -0.000 0.000 0.189 84 D C 2.033 178.342 176.300 0.016 0.000 1.007 84 D CA 2.152 56.179 54.000 0.046 0.000 0.859 84 D CB -0.227 40.589 40.800 0.028 0.000 0.936 84 D HN 0.797 nan 8.370 nan 0.000 0.447 85 G N -1.818 106.970 108.800 -0.020 0.000 3.124 85 G HA2 0.097 4.056 3.960 -0.000 0.000 0.212 85 G HA3 0.097 4.056 3.960 -0.000 0.000 0.212 85 G C -0.153 174.358 174.900 -0.649 0.000 1.181 85 G CA 0.115 45.011 45.100 -0.341 0.000 0.803 85 G HN 0.216 nan 8.290 nan 0.000 0.529 86 Y N -1.514 118.772 120.300 -0.024 0.000 2.698 86 Y HA 0.446 4.996 4.550 -0.000 0.000 0.332 86 Y C 1.179 177.068 175.900 -0.018 0.000 1.119 86 Y CA -0.545 57.542 58.100 -0.022 0.000 1.109 86 Y CB 1.783 40.218 38.460 -0.043 0.000 1.308 86 Y HN 0.007 nan 8.280 nan 0.000 0.499 87 S N -1.324 114.474 115.700 0.162 0.000 2.589 87 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 87 S C 0.346 174.994 174.600 0.079 0.000 1.051 87 S CA 0.270 58.521 58.200 0.085 0.000 0.978 87 S CB 0.008 63.239 63.200 0.052 0.000 0.929 87 S HN 0.761 nan 8.310 nan 0.000 0.523 88 N N 0.682 119.438 118.700 0.092 0.000 2.118 88 N HA 0.268 5.008 4.740 -0.000 0.000 0.226 88 N C -0.492 175.039 175.510 0.035 0.000 1.305 88 N CA -0.343 52.750 53.050 0.071 0.000 0.890 88 N CB 0.040 38.560 38.487 0.054 0.000 1.118 88 N HN 0.388 nan 8.380 nan 0.000 0.511 89 L N 1.450 122.663 121.223 -0.017 0.000 2.272 89 L HA 0.643 4.983 4.340 -0.000 0.000 0.289 89 L C -0.722 176.032 176.870 -0.192 0.000 1.032 89 L CA -0.091 54.643 54.840 -0.176 0.000 0.810 89 L CB 1.438 43.260 42.059 -0.395 0.000 1.205 89 L HN 0.042 nan 8.230 nan 0.000 0.422 90 S N 3.217 118.745 115.700 -0.287 0.000 2.599 90 S HA 0.970 5.440 4.470 -0.000 0.000 0.287 90 S C -0.998 173.316 174.600 -0.478 0.000 1.105 90 S CA -0.471 57.543 58.200 -0.310 0.000 0.899 90 S CB 1.888 64.957 63.200 -0.218 0.000 1.100 90 S HN 0.897 nan 8.310 nan 0.000 0.482 91 A N 2.213 124.715 122.820 -0.529 0.000 2.398 91 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 91 A C -0.694 176.568 177.584 -0.537 0.000 1.041 91 A CA -0.807 50.795 52.037 -0.725 0.000 0.711 91 A CB 1.010 19.180 19.000 -1.384 0.000 1.240 91 A HN 0.921 nan 8.150 nan 0.000 0.420 92 M N 0.679 120.044 119.600 -0.391 0.000 2.572 92 M HA 0.795 5.275 4.480 -0.000 0.000 0.299 92 M C -1.297 174.893 176.300 -0.182 0.000 1.205 92 M CA -0.270 54.897 55.300 -0.223 0.000 0.876 92 M CB 2.188 34.689 32.600 -0.165 0.000 1.728 92 M HN 0.484 nan 8.290 nan 0.000 0.458 93 E N 3.169 123.299 120.200 -0.116 0.000 2.145 93 E HA 0.435 4.785 4.350 -0.000 0.000 0.262 93 E C -0.879 175.688 176.600 -0.054 0.000 0.883 93 E CA -0.749 55.589 56.400 -0.103 0.000 0.748 93 E CB 1.737 31.282 29.700 -0.259 0.000 1.140 93 E HN 0.569 nan 8.360 nan 0.000 0.417 94 I N 2.363 122.953 120.570 0.035 0.000 2.588 94 I HA 0.101 4.271 4.170 -0.000 0.000 0.283 94 I C 0.242 176.470 176.117 0.184 0.000 1.119 94 I CA 0.106 61.467 61.300 0.102 0.000 1.419 94 I CB 0.186 38.292 38.000 0.177 0.000 1.394 94 I HN 0.395 nan 8.210 nan 0.000 0.562 95 D N 7.966 128.457 120.400 0.151 0.000 2.193 95 D HA 0.295 4.935 4.640 -0.000 0.000 0.244 95 D C -1.534 174.871 176.300 0.175 0.000 1.064 95 D CA -1.424 52.677 54.000 0.168 0.000 0.845 95 D CB 2.088 42.956 40.800 0.113 0.000 1.148 95 D HN 0.255 nan 8.370 nan 0.000 0.464 96 P HA -0.064 nan 4.420 nan 0.000 0.215 96 P C -0.516 176.861 177.300 0.129 0.000 1.157 96 P CA 0.609 63.817 63.100 0.179 0.000 0.863 96 P CB 0.182 31.960 31.700 0.129 0.000 0.787 97 N N -2.022 116.729 118.700 0.085 0.000 2.780 97 N HA -0.108 4.632 4.740 -0.000 0.000 0.247 97 N C 0.156 175.687 175.510 0.034 0.000 1.076 97 N CA -0.131 52.950 53.050 0.052 0.000 0.688 97 N CB -1.402 37.114 38.487 0.049 0.000 0.957 97 N HN 0.227 nan 8.380 nan 0.000 0.551 98 G N 0.297 109.115 108.800 0.030 0.000 2.403 98 G HA2 0.452 4.411 3.960 -0.000 0.000 0.259 98 G HA3 0.452 4.411 3.960 -0.000 0.000 0.259 98 G C 0.388 175.293 174.900 0.009 0.000 1.244 98 G CA 0.103 45.213 45.100 0.018 0.000 0.849 98 G HN 0.308 nan 8.290 nan 0.000 0.532 99 S N 1.643 117.349 115.700 0.010 0.000 2.713 99 S HA 0.393 4.863 4.470 -0.000 0.000 0.283 99 S C 1.484 176.089 174.600 0.010 0.000 1.161 99 S CA -0.915 57.290 58.200 0.008 0.000 0.999 99 S CB 1.483 64.687 63.200 0.006 0.000 1.039 99 S HN 0.413 nan 8.310 nan 0.000 0.548 100 I N 0.688 121.263 120.570 0.009 0.000 2.286 100 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 100 I C 2.831 178.959 176.117 0.019 0.000 1.115 100 I CA 1.149 62.456 61.300 0.012 0.000 1.392 100 I CB -0.444 37.562 38.000 0.010 0.000 1.065 100 I HN 0.649 nan 8.210 nan 0.000 0.418 101 Q N 0.699 120.509 119.800 0.016 0.000 2.020 101 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 101 Q C 1.868 177.884 176.000 0.027 0.000 0.982 101 Q CA 1.845 57.659 55.803 0.018 0.000 0.838 101 Q CB -0.452 28.293 28.738 0.012 0.000 0.899 101 Q HN 0.451 nan 8.270 nan 0.000 0.423 102 D N 0.424 120.839 120.400 0.026 0.000 2.157 102 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 102 D C 1.847 178.183 176.300 0.060 0.000 1.004 102 D CA 0.938 54.961 54.000 0.038 0.000 0.854 102 D CB -0.236 40.583 40.800 0.032 0.000 0.936 102 D HN 0.086 nan 8.370 nan 0.000 0.446 103 L N 0.218 121.476 121.223 0.059 0.000 2.027 103 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 103 L C 2.126 179.057 176.870 0.101 0.000 1.074 103 L CA 1.315 56.210 54.840 0.093 0.000 0.745 103 L CB -0.592 41.501 42.059 0.057 0.000 0.898 103 L HN 0.108 nan 8.230 nan 0.000 0.433 104 L N -0.615 120.647 121.223 0.065 0.000 2.191 104 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 104 L C 2.330 179.228 176.870 0.047 0.000 1.103 104 L CA 0.984 55.856 54.840 0.053 0.000 0.769 104 L CB -0.755 41.326 42.059 0.035 0.000 0.908 104 L HN 0.357 nan 8.230 nan 0.000 0.438 105 A N -0.689 122.160 122.820 0.048 0.000 2.208 105 A HA 0.036 4.356 4.320 -0.000 0.000 0.209 105 A C 1.455 179.063 177.584 0.040 0.000 1.161 105 A CA 0.588 52.648 52.037 0.038 0.000 0.782 105 A CB -0.262 18.758 19.000 0.035 0.000 0.816 105 A HN 0.445 nan 8.150 nan 0.000 0.477 126 D N 0.217 120.625 120.400 0.013 0.000 2.323 126 D HA 0.030 4.670 4.640 -0.000 0.000 0.209 126 D C 1.125 177.462 176.300 0.061 0.000 0.973 126 D CA 0.416 54.456 54.000 0.066 0.000 0.874 126 D CB 0.139 40.980 40.800 0.068 0.000 0.930 126 D HN 0.056 nan 8.370 nan 0.000 0.521 127 L N 0.488 121.711 121.223 0.001 0.000 2.747 127 L HA 0.333 4.673 4.340 -0.000 0.000 0.248 127 L C 1.701 178.547 176.870 -0.041 0.000 1.191 127 L CA 0.036 54.874 54.840 -0.003 0.000 1.003 127 L CB -0.824 41.221 42.059 -0.024 0.000 1.235 127 L HN 0.231 nan 8.230 nan 0.000 0.426 128 A N -1.826 120.919 122.820 -0.124 0.000 2.095 128 A HA 0.132 4.452 4.320 -0.000 0.000 0.212 128 A C 1.194 178.531 177.584 -0.412 0.000 1.162 128 A CA 0.390 52.233 52.037 -0.323 0.000 0.753 128 A CB -0.184 18.506 19.000 -0.518 0.000 0.840 128 A HN 0.279 nan 8.150 nan 0.000 0.468 129 F N 0.336 120.330 119.950 0.072 0.000 2.772 129 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 129 F C 1.919 177.774 175.800 0.091 0.000 1.136 129 F CA 0.172 58.207 58.000 0.058 0.000 1.322 129 F CB 0.179 39.199 39.000 0.032 0.000 0.967 129 F HN 0.228 nan 8.300 nan 0.000 0.513 130 S N -0.576 115.260 115.700 0.226 0.000 2.446 130 S HA 0.112 4.582 4.470 -0.000 0.000 0.225 130 S C 0.754 175.441 174.600 0.144 0.000 1.016 130 S CA 0.218 58.559 58.200 0.234 0.000 0.943 130 S CB -0.088 63.189 63.200 0.128 0.000 0.786 130 S HN 0.071 nan 8.310 nan 0.000 0.508 131 I N 3.732 124.365 120.570 0.106 0.000 2.371 131 I HA 0.416 4.586 4.170 -0.000 0.000 0.290 131 I C -2.615 173.571 176.117 0.115 0.000 1.028 131 I CA -2.415 58.939 61.300 0.092 0.000 1.345 131 I CB -0.172 37.869 38.000 0.069 0.000 1.407 131 I HN 0.053 nan 8.210 nan 0.000 0.501 132 P HA 0.276 nan 4.420 nan 0.000 0.274 132 P C 0.256 177.646 177.300 0.150 0.000 1.237 132 P CA -0.212 63.007 63.100 0.197 0.000 0.793 132 P CB 0.764 32.725 31.700 0.434 0.000 0.977 133 G N -0.182 108.682 108.800 0.106 0.000 2.547 133 G HA2 0.270 4.230 3.960 -0.000 0.000 0.291 133 G HA3 0.270 4.230 3.960 -0.000 0.000 0.291 133 G C 0.977 175.888 174.900 0.019 0.000 1.211 133 G CA -0.625 44.511 45.100 0.059 0.000 0.950 133 G HN 0.292 nan 8.290 nan 0.000 0.504 134 V N 0.177 120.096 119.914 0.008 0.000 2.427 134 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 134 V C 2.400 178.464 176.094 -0.051 0.000 1.051 134 V CA 2.013 64.303 62.300 -0.017 0.000 1.048 134 V CB -0.326 31.495 31.823 -0.003 0.000 0.666 134 V HN 0.623 nan 8.190 nan 0.000 0.456 135 D N -0.507 119.872 120.400 -0.034 0.000 2.117 135 D HA -0.160 4.479 4.640 -0.000 0.000 0.198 135 D C 2.170 178.428 176.300 -0.069 0.000 0.982 135 D CA 1.305 55.282 54.000 -0.039 0.000 0.828 135 D CB 0.005 40.797 40.800 -0.015 0.000 0.967 135 D HN 0.571 nan 8.370 nan 0.000 0.464 136 E N 0.543 120.697 120.200 -0.076 0.000 2.047 136 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 136 E C 1.999 178.369 176.600 -0.384 0.000 0.987 136 E CA 0.939 57.275 56.400 -0.106 0.000 0.799 136 E CB 0.052 29.751 29.700 -0.003 0.000 0.752 136 E HN 0.124 nan 8.360 nan 0.000 0.449 137 A N 0.897 123.357 122.820 -0.600 0.000 1.908 137 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 137 A C 2.202 179.496 177.584 -0.483 0.000 1.181 137 A CA 1.665 53.042 52.037 -1.100 0.000 0.627 137 A CB -0.528 18.143 19.000 -0.548 0.000 0.818 137 A HN 0.331 nan 8.150 nan 0.000 0.445 138 M N -1.014 118.449 119.600 -0.228 0.000 2.117 138 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 138 M C 2.567 178.827 176.300 -0.068 0.000 1.065 138 M CA 1.754 56.992 55.300 -0.103 0.000 1.114 138 M CB -0.190 32.373 32.600 -0.061 0.000 1.361 138 M HN 0.537 nan 8.290 nan 0.000 0.408 139 S N -0.143 115.518 115.700 -0.064 0.000 2.370 139 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 139 S C 1.729 176.349 174.600 0.033 0.000 1.033 139 S CA 1.335 59.530 58.200 -0.008 0.000 1.011 139 S CB -0.385 62.824 63.200 0.015 0.000 0.852 139 S HN 0.474 nan 8.310 nan 0.000 0.457 140 F N 2.236 122.123 119.950 -0.104 0.000 2.102 140 F HA 0.026 4.553 4.527 -0.000 0.000 0.298 140 F C 2.407 178.224 175.800 0.028 0.000 1.105 140 F CA 1.259 59.269 58.000 0.017 0.000 1.239 140 F CB -0.938 38.141 39.000 0.131 0.000 0.991 140 F HN 0.274 nan 8.300 nan 0.000 0.474 141 A N 0.067 122.953 122.820 0.111 0.000 1.917 141 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 141 A C 2.165 179.729 177.584 -0.033 0.000 1.182 141 A CA 1.990 54.056 52.037 0.048 0.000 0.633 141 A CB -0.811 18.214 19.000 0.042 0.000 0.819 141 A HN 0.475 nan 8.150 nan 0.000 0.448 142 E N -0.282 119.894 120.200 -0.039 0.000 2.110 142 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 142 E C 2.202 178.757 176.600 -0.076 0.000 0.988 142 E CA 1.365 57.739 56.400 -0.044 0.000 0.804 142 E CB -0.421 29.261 29.700 -0.030 0.000 0.745 142 E HN 0.464 nan 8.360 nan 0.000 0.458 143 V N 1.581 121.412 119.914 -0.139 0.000 2.307 143 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 143 V C 2.578 178.559 176.094 -0.189 0.000 1.045 143 V CA 1.193 63.382 62.300 -0.185 0.000 1.024 143 V CB -0.562 31.090 31.823 -0.285 0.000 0.651 143 V HN 0.193 nan 8.190 nan 0.000 0.449 144 L N -0.203 120.861 121.223 -0.264 0.000 2.081 144 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 144 L C 2.612 179.475 176.870 -0.013 0.000 1.080 144 L CA 1.867 56.642 54.840 -0.108 0.000 0.754 144 L CB -0.598 41.411 42.059 -0.084 0.000 0.893 144 L HN 0.331 nan 8.230 nan 0.000 0.433 145 K N -0.252 120.129 120.400 -0.032 0.000 2.002 145 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 145 K C 2.193 178.788 176.600 -0.008 0.000 1.048 145 K CA 1.578 57.859 56.287 -0.008 0.000 0.930 145 K CB -0.065 32.426 32.500 -0.015 0.000 0.714 145 K HN 0.307 nan 8.250 nan 0.000 0.438 146 Q N -0.002 119.783 119.800 -0.024 0.000 2.045 146 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 146 Q C 2.063 178.061 176.000 -0.002 0.000 0.991 146 Q CA 2.025 57.817 55.803 -0.018 0.000 0.851 146 Q CB -0.131 28.589 28.738 -0.030 0.000 0.911 146 Q HN 0.166 nan 8.270 nan 0.000 0.418 147 V N 1.027 120.942 119.914 0.002 0.000 2.490 147 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 147 V C 2.202 178.321 176.094 0.041 0.000 1.061 147 V CA 1.713 64.033 62.300 0.033 0.000 1.064 147 V CB -0.461 31.384 31.823 0.036 0.000 0.670 147 V HN 0.312 nan 8.190 nan 0.000 0.461 148 K N -0.240 120.183 120.400 0.039 0.000 2.062 148 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 148 K C 2.412 179.009 176.600 -0.004 0.000 1.051 148 K CA 1.416 57.721 56.287 0.029 0.000 0.941 148 K CB -0.134 32.395 32.500 0.048 0.000 0.719 148 K HN 0.414 nan 8.250 nan 0.000 0.440 149 S N 1.417 117.111 115.700 -0.008 0.000 2.400 149 S HA -0.102 4.368 4.470 -0.000 0.000 0.232 149 S C 1.769 176.335 174.600 -0.057 0.000 1.025 149 S CA 0.944 59.127 58.200 -0.028 0.000 0.993 149 S CB -0.150 63.036 63.200 -0.023 0.000 0.808 149 S HN 0.262 nan 8.310 nan 0.000 0.478 150 L N 0.853 122.043 121.223 -0.055 0.000 2.093 150 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 150 L C 0.819 177.544 176.870 -0.241 0.000 1.085 150 L CA 0.581 55.339 54.840 -0.137 0.000 0.755 150 L CB -0.471 41.567 42.059 -0.035 0.000 0.904 150 L HN 0.179 nan 8.230 nan 0.000 0.435 151 S N -1.244 114.368 115.700 -0.146 0.000 3.884 151 S HA -0.189 4.281 4.470 -0.000 0.000 0.374 151 S C -0.279 174.189 174.600 -0.220 0.000 0.971 151 S CA 0.084 58.193 58.200 -0.151 0.000 1.152 151 S CB -1.604 61.510 63.200 -0.143 0.000 0.877 151 S HN 0.236 nan 8.310 nan 0.000 0.491 152 Y N 0.823 121.046 120.300 -0.128 0.000 2.309 152 Y HA 0.306 4.856 4.550 -0.000 0.000 0.327 152 Y C 1.625 177.424 175.900 -0.168 0.000 1.172 152 Y CA -0.136 57.877 58.100 -0.145 0.000 1.280 152 Y CB 0.542 38.899 38.460 -0.173 0.000 1.234 152 Y HN 0.369 nan 8.280 nan 0.000 0.512 153 E N 1.557 121.773 120.200 0.026 0.000 2.031 153 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 153 E C -0.506 176.029 176.600 -0.109 0.000 0.994 153 E CA 1.216 57.588 56.400 -0.047 0.000 0.800 153 E CB 0.161 29.842 29.700 -0.032 0.000 0.752 153 E HN 0.338 nan 8.360 nan 0.000 0.447 154 V N -0.158 119.681 119.914 -0.126 0.000 3.049 154 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 154 V C -1.359 174.575 176.094 -0.268 0.000 1.148 154 V CA -0.876 61.299 62.300 -0.209 0.000 0.990 154 V CB 1.898 33.635 31.823 -0.143 0.000 1.039 154 V HN 0.156 nan 8.190 nan 0.000 0.430 155 I N 5.190 125.540 120.570 -0.368 0.000 2.418 155 I HA 0.425 4.595 4.170 -0.000 0.000 0.287 155 I C -0.664 175.333 176.117 -0.200 0.000 1.008 155 I CA -0.891 60.200 61.300 -0.348 0.000 1.104 155 I CB 2.077 39.759 38.000 -0.530 0.000 1.264 155 I HN 0.271 nan 8.210 nan 0.000 0.438 156 V N 6.908 126.720 119.914 -0.170 0.000 2.385 156 V HA 0.174 4.294 4.120 -0.000 0.000 0.269 156 V C -0.319 175.750 176.094 -0.041 0.000 1.043 156 V CA -0.185 62.056 62.300 -0.099 0.000 0.906 156 V CB 0.970 32.731 31.823 -0.102 0.000 0.995 156 V HN 0.456 nan 8.190 nan 0.000 0.467 157 F N 4.041 123.924 119.950 -0.112 0.000 2.303 157 F HA 0.326 4.853 4.527 -0.000 0.000 0.368 157 F C 0.628 176.461 175.800 0.055 0.000 1.105 157 F CA -0.748 57.251 58.000 -0.003 0.000 1.153 157 F CB 0.703 39.673 39.000 -0.049 0.000 1.362 157 F HN 0.543 nan 8.300 nan 0.000 0.511 158 D N 4.740 125.265 120.400 0.208 0.000 2.416 158 D HA 0.028 4.668 4.640 -0.000 0.000 0.240 158 D C 0.463 176.956 176.300 0.322 0.000 1.250 158 D CA 0.044 54.156 54.000 0.186 0.000 0.967 158 D CB 0.391 41.239 40.800 0.081 0.000 1.059 158 D HN 0.497 nan 8.370 nan 0.000 0.512 159 T N 0.438 115.209 114.554 0.361 0.000 2.748 159 T HA 0.443 4.793 4.350 -0.000 0.000 0.304 159 T C 0.495 175.333 174.700 0.230 0.000 1.041 159 T CA -0.833 61.490 62.100 0.372 0.000 1.033 159 T CB 1.111 70.134 68.868 0.258 0.000 0.995 159 T HN 0.337 nan 8.240 nan 0.000 0.536 160 A N 2.478 125.422 122.820 0.207 0.000 2.362 160 A HA 0.543 4.863 4.320 -0.000 0.000 0.276 160 A C -1.902 175.732 177.584 0.083 0.000 1.153 160 A CA -1.827 50.289 52.037 0.132 0.000 0.813 160 A CB 0.010 19.087 19.000 0.129 0.000 1.081 160 A HN 0.720 nan 8.150 nan 0.000 0.507 161 P HA 0.093 nan 4.420 nan 0.000 0.249 161 P C 0.471 177.782 177.300 0.019 0.000 1.593 161 P CA 0.328 63.449 63.100 0.035 0.000 0.896 161 P CB -0.145 31.572 31.700 0.027 0.000 1.581 162 T N -4.932 109.638 114.554 0.026 0.000 2.849 162 T HA 0.453 4.803 4.350 -0.000 0.000 0.272 162 T C 1.690 176.361 174.700 -0.049 0.000 1.046 162 T CA 0.014 62.126 62.100 0.019 0.000 0.983 162 T CB -0.018 68.906 68.868 0.093 0.000 1.721 162 T HN -0.061 nan 8.240 nan 0.000 0.594 163 G N -0.936 107.786 108.800 -0.130 0.000 2.511 163 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.217 163 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.217 163 G C 0.959 175.606 174.900 -0.421 0.000 1.133 163 G CA 0.122 45.027 45.100 -0.324 0.000 0.792 163 G HN 0.871 nan 8.290 nan 0.000 0.539 164 H N 0.752 119.783 119.070 -0.066 0.000 2.591 164 H HA 0.190 4.746 4.556 -0.000 0.000 0.302 164 H C 1.377 176.603 175.328 -0.172 0.000 1.163 164 H CA 0.254 56.235 56.048 -0.112 0.000 1.049 164 H CB -0.043 29.677 29.762 -0.069 0.000 1.543 164 H HN 0.122 nan 8.280 nan 0.000 0.523 165 T N 0.601 115.085 114.554 -0.117 0.000 2.759 165 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 165 T C 1.672 176.129 174.700 -0.404 0.000 1.042 165 T CA 0.858 62.871 62.100 -0.145 0.000 1.140 165 T CB 0.148 68.953 68.868 -0.106 0.000 0.864 165 T HN 0.359 nan 8.240 nan 0.000 0.455 166 L N 1.186 122.068 121.223 -0.568 0.000 2.984 166 L HA 0.360 4.700 4.340 -0.000 0.000 0.246 166 L C 2.128 178.364 176.870 -1.057 0.000 1.268 166 L CA -0.236 53.981 54.840 -1.038 0.000 1.054 166 L CB -0.109 41.446 42.059 -0.840 0.000 1.393 166 L HN 0.139 nan 8.230 nan 0.000 0.532 167 R N 1.360 121.395 120.500 -0.774 0.000 2.115 167 R HA -0.179 4.160 4.340 -0.000 0.000 0.230 167 R C 2.090 177.873 176.300 -0.863 0.000 1.111 167 R CA 1.781 57.550 56.100 -0.551 0.000 0.976 167 R CB -0.263 29.891 30.300 -0.242 0.000 0.870 167 R HN 0.414 nan 8.270 nan 0.000 0.445 168 F N 0.113 119.534 119.950 -0.881 0.000 2.494 168 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 168 F C 1.369 176.546 175.800 -1.038 0.000 1.106 168 F CA 0.407 57.502 58.000 -1.508 0.000 1.452 168 F CB -0.573 37.759 39.000 -1.114 0.000 1.085 168 F HN -0.060 nan 8.300 nan 0.000 0.569 169 L N 0.229 120.997 121.223 -0.759 0.000 2.610 169 L HA 0.006 4.346 4.340 -0.000 0.000 0.232 169 L C 1.781 178.510 176.870 -0.235 0.000 1.149 169 L CA 0.546 55.099 54.840 -0.478 0.000 0.872 169 L CB -0.597 40.793 42.059 -1.114 0.000 0.992 169 L HN 0.312 nan 8.230 nan 0.000 0.447 170 Q N -1.304 118.335 119.800 -0.269 0.000 2.319 170 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 170 Q C 1.580 177.670 176.000 0.150 0.000 0.896 170 Q CA 0.160 55.954 55.803 -0.014 0.000 0.942 170 Q CB 0.268 29.003 28.738 -0.005 0.000 1.083 170 Q HN 0.352 nan 8.270 nan 0.000 0.510 171 F N 1.362 121.325 119.950 0.023 0.000 2.171 171 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 171 F C -0.563 175.266 175.800 0.049 0.000 1.090 171 F CA 0.078 58.102 58.000 0.041 0.000 1.293 171 F CB -1.928 37.105 39.000 0.054 0.000 1.013 171 F HN 0.079 nan 8.300 nan 0.000 0.486 172 P HA -0.122 nan 4.420 nan 0.000 0.215 172 P C 1.661 179.029 177.300 0.114 0.000 1.157 172 P CA 2.608 65.791 63.100 0.138 0.000 0.868 172 P CB -0.421 31.340 31.700 0.101 0.000 0.788 173 T N -3.337 111.286 114.554 0.116 0.000 2.995 173 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 173 T C 1.828 176.582 174.700 0.090 0.000 1.091 173 T CA 0.637 62.790 62.100 0.089 0.000 1.128 173 T CB -1.295 67.620 68.868 0.078 0.000 0.891 173 T HN -0.126 nan 8.240 nan 0.000 0.492 174 V N 1.472 121.461 119.914 0.124 0.000 2.323 174 V HA 0.009 4.129 4.120 -0.000 0.000 0.244 174 V C 2.646 178.784 176.094 0.074 0.000 1.041 174 V CA 1.268 63.633 62.300 0.109 0.000 1.025 174 V CB -0.600 31.317 31.823 0.157 0.000 0.656 174 V HN 0.438 nan 8.190 nan 0.000 0.451 175 L N -0.466 120.804 121.223 0.077 0.000 2.093 175 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 175 L C 2.506 179.402 176.870 0.043 0.000 1.085 175 L CA 1.513 56.382 54.840 0.048 0.000 0.755 175 L CB -0.538 41.551 42.059 0.049 0.000 0.904 175 L HN 0.389 nan 8.230 nan 0.000 0.435 176 E N 0.170 120.400 120.200 0.051 0.000 2.106 176 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 176 E C 2.173 178.793 176.600 0.033 0.000 0.984 176 E CA 0.976 57.400 56.400 0.040 0.000 0.806 176 E CB 0.138 29.863 29.700 0.042 0.000 0.750 176 E HN 0.382 nan 8.360 nan 0.000 0.458 177 K N 0.309 120.731 120.400 0.037 0.000 2.057 177 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 177 K C 2.169 178.783 176.600 0.025 0.000 1.050 177 K CA 0.988 57.293 56.287 0.030 0.000 0.935 177 K CB -0.088 32.432 32.500 0.033 0.000 0.715 177 K HN 0.042 nan 8.250 nan 0.000 0.439 178 A N 1.676 124.511 122.820 0.025 0.000 1.845 178 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 178 A C 2.135 179.729 177.584 0.016 0.000 1.195 178 A CA 1.242 53.290 52.037 0.018 0.000 0.616 178 A CB -0.740 18.269 19.000 0.015 0.000 0.832 178 A HN 0.246 nan 8.150 nan 0.000 0.443 179 L N -0.375 120.859 121.223 0.019 0.000 2.129 179 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 179 L C 2.572 179.453 176.870 0.018 0.000 1.087 179 L CA 2.104 56.955 54.840 0.018 0.000 0.757 179 L CB -0.494 41.577 42.059 0.021 0.000 0.896 179 L HN 0.396 nan 8.230 nan 0.000 0.434 180 A N -0.503 122.329 122.820 0.019 0.000 1.840 180 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 180 A C 2.319 179.913 177.584 0.016 0.000 1.198 180 A CA 1.545 53.593 52.037 0.018 0.000 0.608 180 A CB -0.659 18.352 19.000 0.018 0.000 0.839 180 A HN 0.388 nan 8.150 nan 0.000 0.443 181 K N -0.453 119.956 120.400 0.015 0.000 2.113 181 K HA -0.134 4.185 4.320 -0.000 0.000 0.208 181 K C 1.641 178.248 176.600 0.011 0.000 1.047 181 K CA 1.578 57.872 56.287 0.012 0.000 0.928 181 K CB -0.546 31.960 32.500 0.010 0.000 0.716 181 K HN 0.291 nan 8.250 nan 0.000 0.446 182 L N 0.125 121.354 121.223 0.011 0.000 2.056 182 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 182 L C 2.380 179.259 176.870 0.016 0.000 1.078 182 L CA 1.844 56.690 54.840 0.010 0.000 0.749 182 L CB -0.915 41.150 42.059 0.009 0.000 0.901 182 L HN 0.298 nan 8.230 nan 0.000 0.433 183 S N -1.477 114.234 115.700 0.019 0.000 2.402 183 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 183 S C 1.961 176.577 174.600 0.027 0.000 1.021 183 S CA 1.205 59.420 58.200 0.023 0.000 0.974 183 S CB -0.211 63.002 63.200 0.021 0.000 0.800 183 S HN 0.578 nan 8.310 nan 0.000 0.484 184 Q N 0.319 120.133 119.800 0.023 0.000 2.119 184 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 184 Q C 2.089 178.108 176.000 0.031 0.000 0.972 184 Q CA 1.111 56.929 55.803 0.025 0.000 0.847 184 Q CB -0.198 28.552 28.738 0.020 0.000 0.903 184 Q HN 0.554 nan 8.270 nan 0.000 0.433 185 L N 0.235 121.474 121.223 0.027 0.000 2.046 185 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 185 L C 2.668 179.576 176.870 0.063 0.000 1.077 185 L CA 1.139 55.997 54.840 0.030 0.000 0.747 185 L CB -0.572 41.489 42.059 0.003 0.000 0.896 185 L HN 0.219 nan 8.230 nan 0.000 0.432 186 S N -0.731 115.005 115.700 0.061 0.000 2.420 186 S HA -0.187 4.283 4.470 -0.000 0.000 0.237 186 S C 2.135 176.790 174.600 0.092 0.000 1.023 186 S CA 1.631 59.883 58.200 0.087 0.000 0.991 186 S CB -0.069 63.168 63.200 0.061 0.000 0.792 186 S HN 0.387 nan 8.310 nan 0.000 0.488 187 S N 0.280 116.020 115.700 0.068 0.000 2.461 187 S HA 0.114 4.584 4.470 -0.000 0.000 0.228 187 S C 0.840 175.481 174.600 0.068 0.000 1.005 187 S CA 0.515 58.748 58.200 0.055 0.000 0.942 187 S CB -0.046 63.177 63.200 0.038 0.000 0.776 187 S HN 0.454 nan 8.310 nan 0.000 0.514 188 Q N 0.187 120.044 119.800 0.095 0.000 2.819 188 Q HA 0.632 4.972 4.340 -0.000 0.000 0.392 188 Q C -0.935 175.217 176.000 0.253 0.000 1.088 188 Q CA -0.101 55.774 55.803 0.121 0.000 1.062 188 Q CB -0.013 28.780 28.738 0.091 0.000 1.369 188 Q HN 0.352 nan 8.270 nan 0.000 0.434 196 I N 4.154 124.715 120.570 -0.016 0.000 3.083 196 I HA 0.048 4.218 4.170 -0.000 0.000 0.273 196 I C 1.286 177.404 176.117 0.002 0.000 1.297 196 I CA 0.819 62.115 61.300 -0.006 0.000 1.452 196 I CB -0.119 37.877 38.000 -0.006 0.000 1.078 196 I HN 0.707 nan 8.210 nan 0.000 0.484 197 L N 0.043 121.269 121.223 0.006 0.000 2.209 197 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 197 L C 1.743 178.626 176.870 0.021 0.000 1.094 197 L CA 0.744 55.595 54.840 0.018 0.000 0.790 197 L CB -0.793 41.285 42.059 0.031 0.000 0.932 197 L HN 0.505 nan 8.230 nan 0.000 0.447 198 G N 0.091 108.902 108.800 0.020 0.000 2.591 198 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.298 198 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.298 198 G C 1.025 175.944 174.900 0.032 0.000 1.195 198 G CA 0.699 45.811 45.100 0.021 0.000 0.989 198 G HN 0.394 nan 8.290 nan 0.000 0.551 199 A N -0.157 122.679 122.820 0.026 0.000 1.917 199 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 199 A C 2.275 179.879 177.584 0.034 0.000 1.182 199 A CA 2.519 54.572 52.037 0.027 0.000 0.633 199 A CB -0.401 18.610 19.000 0.019 0.000 0.819 199 A HN 0.744 nan 8.150 nan 0.000 0.448 200 R N -0.645 119.875 120.500 0.033 0.000 2.335 200 R HA 0.126 4.466 4.340 -0.000 0.000 0.223 200 R C 1.718 178.050 176.300 0.055 0.000 0.940 200 R CA 0.374 56.495 56.100 0.036 0.000 1.086 200 R CB -0.133 30.183 30.300 0.027 0.000 1.073 200 R HN 0.487 nan 8.270 nan 0.000 0.504 201 G N 0.173 109.018 108.800 0.074 0.000 2.595 201 G HA2 0.016 3.976 3.960 -0.000 0.000 0.213 201 G HA3 0.016 3.976 3.960 -0.000 0.000 0.213 201 G C 0.790 175.813 174.900 0.204 0.000 1.141 201 G CA 0.139 45.313 45.100 0.124 0.000 0.806 201 G HN 0.336 nan 8.290 nan 0.000 0.530 202 G N -0.018 108.867 108.800 0.142 0.000 2.716 202 G HA2 0.383 4.343 3.960 -0.000 0.000 0.251 202 G HA3 0.383 4.343 3.960 -0.000 0.000 0.251 202 G C 0.094 174.998 174.900 0.006 0.000 1.224 202 G CA -0.614 44.554 45.100 0.114 0.000 0.891 202 G HN 0.293 nan 8.290 nan 0.000 0.561 203 L N 0.802 121.959 121.223 -0.109 0.000 2.467 203 L HA 0.226 4.566 4.340 -0.000 0.000 0.270 203 L C -1.721 175.104 176.870 -0.076 0.000 1.205 203 L CA -1.371 53.372 54.840 -0.162 0.000 0.828 203 L CB 0.396 42.322 42.059 -0.223 0.000 1.101 203 L HN 0.302 nan 8.230 nan 0.000 0.479 204 P HA 0.272 nan 4.420 nan 0.000 0.279 204 P C 0.586 177.861 177.300 -0.042 0.000 1.239 204 P CA 0.081 63.157 63.100 -0.039 0.000 0.789 204 P CB 1.459 33.140 31.700 -0.032 0.000 0.933 205 G N 1.533 110.316 108.800 -0.029 0.000 2.254 205 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.225 205 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.225 205 G C 0.832 175.717 174.900 -0.025 0.000 1.003 205 G CA 0.262 45.346 45.100 -0.026 0.000 0.622 205 G HN 1.133 nan 8.290 nan 0.000 0.507 206 G N -0.784 107.998 108.800 -0.029 0.000 2.176 206 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.253 206 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.253 206 G C 0.249 175.135 174.900 -0.023 0.000 0.979 206 G CA 1.190 46.277 45.100 -0.021 0.000 0.641 206 G HN 1.408 nan 8.290 nan 0.000 0.530 207 Q N 0.417 120.196 119.800 -0.035 0.000 2.330 207 Q HA 0.410 4.750 4.340 -0.000 0.000 0.279 207 Q C 0.309 176.290 176.000 -0.032 0.000 1.024 207 Q CA 0.207 55.990 55.803 -0.034 0.000 0.900 207 Q CB 0.585 29.297 28.738 -0.044 0.000 1.221 207 Q HN 0.341 nan 8.270 nan 0.000 0.396 208 N N 2.953 121.645 118.700 -0.013 0.000 2.485 208 N HA 0.158 4.898 4.740 -0.000 0.000 0.243 208 N C 0.074 175.588 175.510 0.006 0.000 0.987 208 N CA -0.057 52.995 53.050 0.004 0.000 0.940 208 N CB 0.483 38.979 38.487 0.015 0.000 1.122 208 N HN 0.694 nan 8.380 nan 0.000 0.509 209 I N 1.432 122.007 120.570 0.008 0.000 2.142 209 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 209 I C 0.886 177.019 176.117 0.028 0.000 1.078 209 I CA 1.112 62.419 61.300 0.013 0.000 1.343 209 I CB 0.048 38.060 38.000 0.020 0.000 1.046 209 I HN 0.511 nan 8.210 nan 0.000 0.405 210 D N 0.254 120.680 120.400 0.043 0.000 2.263 210 D HA -0.213 4.427 4.640 -0.000 0.000 0.208 210 D C 1.948 178.263 176.300 0.025 0.000 0.971 210 D CA 1.043 55.065 54.000 0.038 0.000 0.867 210 D CB -0.115 40.712 40.800 0.044 0.000 0.929 210 D HN 0.475 nan 8.370 nan 0.000 0.492 211 E N -0.099 120.114 120.200 0.022 0.000 2.170 211 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 211 E C 2.141 178.747 176.600 0.010 0.000 0.981 211 E CA 0.099 56.508 56.400 0.015 0.000 0.830 211 E CB 0.202 29.910 29.700 0.013 0.000 0.775 211 E HN 0.188 nan 8.360 nan 0.000 0.470 212 L N 0.310 121.539 121.223 0.009 0.000 2.209 212 L HA -0.071 4.268 4.340 -0.000 0.000 0.207 212 L C 2.258 179.132 176.870 0.008 0.000 1.094 212 L CA 0.081 54.924 54.840 0.005 0.000 0.790 212 L CB -0.101 41.958 42.059 -0.000 0.000 0.932 212 L HN 0.211 nan 8.230 nan 0.000 0.447 213 L N -0.214 121.016 121.223 0.012 0.000 2.261 213 L HA -0.232 4.107 4.340 -0.000 0.000 0.216 213 L C 2.490 179.369 176.870 0.014 0.000 1.114 213 L CA 1.698 56.546 54.840 0.015 0.000 0.777 213 L CB -0.444 41.627 42.059 0.020 0.000 0.910 213 L HN 0.302 nan 8.230 nan 0.000 0.440 214 Q N -1.255 118.553 119.800 0.012 0.000 2.036 214 Q HA -0.173 4.167 4.340 -0.000 0.000 0.195 214 Q C 2.213 178.218 176.000 0.009 0.000 0.971 214 Q CA 1.138 56.947 55.803 0.011 0.000 0.826 214 Q CB -0.076 28.668 28.738 0.010 0.000 0.896 214 Q HN 0.364 nan 8.270 nan 0.000 0.449 215 K N 0.366 120.770 120.400 0.006 0.000 2.074 215 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 215 K C 1.969 178.572 176.600 0.005 0.000 1.048 215 K CA 1.666 57.955 56.287 0.004 0.000 0.926 215 K CB -0.113 32.388 32.500 0.001 0.000 0.713 215 K HN 0.062 nan 8.250 nan 0.000 0.444 216 M N 0.806 120.410 119.600 0.006 0.000 2.175 216 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 216 M C 1.830 178.138 176.300 0.012 0.000 1.063 216 M CA 1.612 56.916 55.300 0.008 0.000 1.119 216 M CB -0.024 32.581 32.600 0.008 0.000 1.377 216 M HN -0.018 nan 8.290 nan 0.000 0.415 217 E N -0.812 119.396 120.200 0.013 0.000 2.072 217 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 217 E C 2.146 178.755 176.600 0.015 0.000 0.985 217 E CA 1.394 57.803 56.400 0.015 0.000 0.801 217 E CB -0.461 29.247 29.700 0.015 0.000 0.750 217 E HN 0.528 nan 8.360 nan 0.000 0.452 218 S N -0.203 115.504 115.700 0.012 0.000 2.382 218 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 218 S C 2.106 176.714 174.600 0.013 0.000 1.027 218 S CA 0.782 58.989 58.200 0.012 0.000 0.991 218 S CB -0.106 63.099 63.200 0.008 0.000 0.823 218 S HN 0.234 nan 8.310 nan 0.000 0.469 219 L N 0.668 121.898 121.223 0.012 0.000 2.109 219 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 219 L C 2.962 179.847 176.870 0.025 0.000 1.086 219 L CA 0.969 55.818 54.840 0.015 0.000 0.760 219 L CB -0.474 41.590 42.059 0.007 0.000 0.910 219 L HN 0.284 nan 8.230 nan 0.000 0.437 220 R N 0.451 120.966 120.500 0.025 0.000 2.115 220 R HA -0.202 4.138 4.340 -0.000 0.000 0.230 220 R C 2.116 178.434 176.300 0.029 0.000 1.111 220 R CA 1.524 57.643 56.100 0.032 0.000 0.976 220 R CB -0.023 30.294 30.300 0.029 0.000 0.870 220 R HN 0.411 nan 8.270 nan 0.000 0.445 221 E N -0.745 119.469 120.200 0.023 0.000 2.152 221 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 221 E C 1.218 177.830 176.600 0.019 0.000 0.983 221 E CA 1.295 57.708 56.400 0.020 0.000 0.818 221 E CB 0.171 29.882 29.700 0.018 0.000 0.758 221 E HN 0.224 nan 8.360 nan 0.000 0.467 222 T N 1.736 116.302 114.554 0.021 0.000 2.701 222 T HA -0.105 4.245 4.350 -0.000 0.000 0.263 222 T C 1.855 176.564 174.700 0.016 0.000 1.040 222 T CA 0.863 62.976 62.100 0.022 0.000 1.147 222 T CB -0.068 68.813 68.868 0.022 0.000 0.865 222 T HN 0.145 nan 8.240 nan 0.000 0.426 223 I N 1.439 122.028 120.570 0.032 0.000 2.208 223 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 223 I C 2.602 178.707 176.117 -0.020 0.000 1.097 223 I CA 1.314 62.637 61.300 0.038 0.000 1.363 223 I CB -1.115 36.945 38.000 0.100 0.000 1.051 223 I HN 0.189 nan 8.210 nan 0.000 0.413 224 S N -0.022 115.677 115.700 -0.002 0.000 2.383 224 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 224 S C 1.813 176.393 174.600 -0.033 0.000 1.026 224 S CA 0.905 59.098 58.200 -0.012 0.000 0.981 224 S CB -0.032 63.175 63.200 0.012 0.000 0.818 224 S HN 0.430 nan 8.310 nan 0.000 0.472 225 E N 0.508 120.697 120.200 -0.019 0.000 2.013 225 E HA -0.155 4.195 4.350 -0.000 0.000 0.202 225 E C 2.125 178.692 176.600 -0.055 0.000 1.018 225 E CA 1.586 57.983 56.400 -0.005 0.000 0.834 225 E CB -0.315 29.400 29.700 0.025 0.000 0.770 225 E HN 0.223 nan 8.360 nan 0.000 0.459 226 V N 2.245 122.086 119.914 -0.123 0.000 2.324 226 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 226 V C 2.270 177.928 176.094 -0.725 0.000 1.060 226 V CA 1.962 64.040 62.300 -0.370 0.000 1.042 226 V CB -0.709 30.843 31.823 -0.452 0.000 0.650 226 V HN 0.386 nan 8.190 nan 0.000 0.450 227 N N 0.420 118.818 118.700 -0.504 0.000 2.084 227 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 227 N C 1.958 177.397 175.510 -0.118 0.000 1.030 227 N CA 2.306 55.122 53.050 -0.390 0.000 0.849 227 N CB -0.089 38.312 38.487 -0.143 0.000 1.012 227 N HN 0.683 nan 8.380 nan 0.000 0.423 228 T N -1.674 112.854 114.554 -0.044 0.000 3.072 228 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 228 T C 1.751 176.506 174.700 0.092 0.000 1.127 228 T CA 0.759 62.886 62.100 0.043 0.000 1.107 228 T CB -0.025 68.868 68.868 0.042 0.000 0.910 228 T HN 0.256 nan 8.240 nan 0.000 0.513 229 Q N -0.557 119.294 119.800 0.084 0.000 2.096 229 Q HA 0.061 4.401 4.340 -0.000 0.000 0.197 229 Q C 1.813 178.025 176.000 0.354 0.000 0.964 229 Q CA 0.963 56.895 55.803 0.215 0.000 0.838 229 Q CB -0.192 28.720 28.738 0.290 0.000 0.906 229 Q HN 0.468 nan 8.270 nan 0.000 0.444 230 F N 1.513 121.485 119.950 0.037 0.000 2.126 230 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 230 F C 1.850 177.730 175.800 0.132 0.000 1.096 230 F CA 1.250 59.298 58.000 0.080 0.000 1.255 230 F CB -0.326 38.706 39.000 0.053 0.000 0.997 230 F HN -0.016 nan 8.300 nan 0.000 0.479 231 K N -0.258 120.325 120.400 0.306 0.000 2.487 231 K HA -0.059 4.261 4.320 -0.000 0.000 0.192 231 K C 0.375 177.073 176.600 0.163 0.000 1.027 231 K CA -0.001 56.409 56.287 0.204 0.000 1.054 231 K CB -0.269 32.325 32.500 0.157 0.000 0.824 231 K HN -0.001 nan 8.250 nan 0.000 0.510 232 N N 1.312 120.121 118.700 0.182 0.000 2.439 232 N HA 0.104 4.844 4.740 -0.000 0.000 0.249 232 N C -2.269 173.330 175.510 0.149 0.000 1.003 232 N CA -2.412 50.726 53.050 0.147 0.000 0.942 232 N CB 1.530 40.103 38.487 0.144 0.000 1.115 232 N HN -0.218 nan 8.380 nan 0.000 0.505 233 P HA -0.063 nan 4.420 nan 0.000 0.219 233 P C 0.322 177.683 177.300 0.102 0.000 1.146 233 P CA 0.978 64.144 63.100 0.110 0.000 0.808 233 P CB 0.423 32.167 31.700 0.074 0.000 0.779 234 D N -1.630 118.823 120.400 0.088 0.000 2.219 234 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 234 D C 1.743 178.098 176.300 0.093 0.000 0.970 234 D CA 1.233 55.278 54.000 0.075 0.000 0.851 234 D CB -0.273 40.563 40.800 0.061 0.000 0.943 234 D HN 0.265 nan 8.370 nan 0.000 0.488 235 M N -1.148 118.531 119.600 0.132 0.000 2.571 235 M HA 0.083 4.563 4.480 -0.000 0.000 0.259 235 M C -0.016 176.408 176.300 0.207 0.000 1.205 235 M CA 0.606 56.005 55.300 0.164 0.000 1.138 235 M CB 1.088 33.819 32.600 0.218 0.000 1.329 235 M HN -0.297 nan 8.290 nan 0.000 0.503 236 T N 0.098 114.780 114.554 0.212 0.000 2.921 236 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 236 T C -0.740 174.068 174.700 0.181 0.000 1.013 236 T CA -0.425 61.802 62.100 0.210 0.000 0.990 236 T CB 2.730 71.758 68.868 0.267 0.000 1.023 236 T HN 0.007 nan 8.240 nan 0.000 0.447 237 T N 1.846 116.491 114.554 0.152 0.000 2.896 237 T HA 0.750 5.100 4.350 -0.000 0.000 0.297 237 T C -1.866 172.970 174.700 0.227 0.000 1.108 237 T CA -0.604 61.603 62.100 0.178 0.000 1.004 237 T CB 1.128 70.069 68.868 0.121 0.000 1.159 237 T HN 0.426 nan 8.240 nan 0.000 0.499 238 F N 2.795 122.794 119.950 0.082 0.000 2.469 238 F HA 0.738 5.265 4.527 -0.000 0.000 0.332 238 F C -0.848 174.950 175.800 -0.003 0.000 1.103 238 F CA -0.545 57.516 58.000 0.102 0.000 0.979 238 F CB 1.572 40.597 39.000 0.041 0.000 1.137 238 F HN 0.319 nan 8.300 nan 0.000 0.463 239 V N 5.247 125.125 119.914 -0.060 0.000 2.378 239 V HA 0.251 4.371 4.120 -0.000 0.000 0.288 239 V C -0.591 175.543 176.094 0.067 0.000 1.016 239 V CA -0.825 61.472 62.300 -0.003 0.000 0.840 239 V CB 1.094 32.871 31.823 -0.078 0.000 0.994 239 V HN 0.867 nan 8.190 nan 0.000 0.431 240 C N 5.341 124.740 119.300 0.165 0.000 2.463 240 C HA 0.675 5.135 4.460 -0.000 0.000 0.380 240 C C 0.412 175.425 174.990 0.040 0.000 1.264 240 C CA -0.632 58.471 59.018 0.142 0.000 2.161 240 C CB 0.732 28.506 27.740 0.056 0.000 2.515 240 C HN 0.638 nan 8.230 nan 0.000 0.565 241 V N 2.668 122.602 119.914 0.033 0.000 2.628 241 V HA 0.767 4.887 4.120 -0.000 0.000 0.306 241 V C 0.163 176.249 176.094 -0.012 0.000 1.045 241 V CA -0.288 62.019 62.300 0.011 0.000 0.905 241 V CB 1.360 33.196 31.823 0.022 0.000 0.997 241 V HN 1.201 nan 8.190 nan 0.000 0.436 242 C N 3.439 122.725 119.300 -0.023 0.000 3.320 242 C HA 0.758 5.218 4.460 -0.000 0.000 0.335 242 C C -0.813 174.155 174.990 -0.037 0.000 1.430 242 C CA -0.942 58.050 59.018 -0.043 0.000 1.271 242 C CB 0.797 28.493 27.740 -0.075 0.000 1.609 242 C HN 0.756 nan 8.230 nan 0.000 0.457 243 I N 1.368 121.904 120.570 -0.057 0.000 2.676 243 I HA 0.536 4.706 4.170 -0.000 0.000 0.309 243 I C 0.989 177.049 176.117 -0.095 0.000 0.990 243 I CA -0.479 60.784 61.300 -0.061 0.000 1.168 243 I CB 1.800 39.762 38.000 -0.063 0.000 1.343 243 I HN 0.965 nan 8.210 nan 0.000 0.482 244 A N 4.382 127.153 122.820 -0.081 0.000 3.074 244 A HA 0.224 4.543 4.320 -0.000 0.000 0.251 244 A C 0.058 177.463 177.584 -0.298 0.000 1.695 244 A CA -0.081 51.896 52.037 -0.099 0.000 1.343 244 A CB -0.785 18.232 19.000 0.029 0.000 1.078 244 A HN 0.625 nan 8.150 nan 0.000 0.644 245 E N -1.094 118.844 120.200 -0.437 0.000 2.355 245 E HA 0.344 4.694 4.350 -0.000 0.000 0.261 245 E C 0.127 176.290 176.600 -0.728 0.000 0.943 245 E CA -0.727 55.304 56.400 -0.615 0.000 0.806 245 E CB 0.691 30.262 29.700 -0.214 0.000 1.286 245 E HN 0.287 nan 8.360 nan 0.000 0.424 246 F N 0.894 120.465 119.950 -0.633 0.000 2.074 246 F HA -0.024 4.503 4.527 -0.000 0.000 0.293 246 F C 2.024 177.770 175.800 -0.089 0.000 1.116 246 F CA 1.231 59.072 58.000 -0.265 0.000 1.212 246 F CB -0.127 38.869 39.000 -0.007 0.000 0.998 246 F HN 0.319 nan 8.300 nan 0.000 0.471 247 L N -0.508 120.761 121.223 0.078 0.000 2.189 247 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 247 L C 2.648 179.496 176.870 -0.037 0.000 1.097 247 L CA 1.540 56.405 54.840 0.043 0.000 0.764 247 L CB -0.804 41.306 42.059 0.086 0.000 0.900 247 L HN 0.289 nan 8.230 nan 0.000 0.436 248 S N -0.389 115.246 115.700 -0.107 0.000 2.356 248 S HA -0.066 4.404 4.470 -0.000 0.000 0.219 248 S C 1.873 176.382 174.600 -0.152 0.000 1.036 248 S CA 0.406 58.539 58.200 -0.111 0.000 0.965 248 S CB -0.033 63.102 63.200 -0.107 0.000 0.864 248 S HN 0.169 nan 8.310 nan 0.000 0.471 249 L N 1.144 122.242 121.223 -0.209 0.000 2.081 249 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 249 L C 2.145 178.895 176.870 -0.200 0.000 1.080 249 L CA 1.869 56.601 54.840 -0.180 0.000 0.754 249 L CB -1.098 40.855 42.059 -0.177 0.000 0.893 249 L HN 0.537 nan 8.230 nan 0.000 0.433 250 Y N 0.426 120.449 120.300 -0.461 0.000 2.109 250 Y HA -0.254 4.296 4.550 -0.000 0.000 0.285 250 Y C 2.619 178.381 175.900 -0.229 0.000 1.131 250 Y CA 1.934 59.776 58.100 -0.430 0.000 1.121 250 Y CB -0.286 37.813 38.460 -0.601 0.000 0.987 250 Y HN 0.181 nan 8.280 nan 0.000 0.495 251 E N -0.539 119.496 120.200 -0.276 0.000 2.267 251 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 251 E C 2.042 178.474 176.600 -0.281 0.000 0.998 251 E CA 1.808 58.023 56.400 -0.307 0.000 0.830 251 E CB -0.252 29.382 29.700 -0.110 0.000 0.751 251 E HN 0.536 nan 8.360 nan 0.000 0.491 252 T N -0.036 114.381 114.554 -0.228 0.000 2.809 252 T HA -0.151 4.199 4.350 -0.000 0.000 0.260 252 T C 1.618 176.198 174.700 -0.199 0.000 1.039 252 T CA 1.349 63.332 62.100 -0.195 0.000 1.141 252 T CB -0.247 68.516 68.868 -0.175 0.000 0.869 252 T HN 0.493 nan 8.240 nan 0.000 0.437 253 E N 1.397 121.497 120.200 -0.166 0.000 2.204 253 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 253 E C 2.216 178.697 176.600 -0.198 0.000 0.989 253 E CA 0.932 57.275 56.400 -0.096 0.000 0.824 253 E CB -0.153 29.503 29.700 -0.074 0.000 0.756 253 E HN 0.355 nan 8.360 nan 0.000 0.477 254 R N 0.257 120.551 120.500 -0.343 0.000 2.073 254 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 254 R C 2.420 178.565 176.300 -0.258 0.000 1.120 254 R CA 1.593 57.476 56.100 -0.361 0.000 0.967 254 R CB -0.201 29.769 30.300 -0.550 0.000 0.862 254 R HN 0.339 nan 8.270 nan 0.000 0.436 255 M N 0.175 119.621 119.600 -0.257 0.000 2.419 255 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 255 M C 1.514 177.641 176.300 -0.287 0.000 1.082 255 M CA 1.312 56.453 55.300 -0.265 0.000 1.119 255 M CB 0.196 32.642 32.600 -0.257 0.000 1.398 255 M HN 0.229 nan 8.290 nan 0.000 0.453 256 I N -0.042 120.398 120.570 -0.217 0.000 2.500 256 I HA -0.253 3.917 4.170 -0.000 0.000 0.252 256 I C 2.231 178.285 176.117 -0.105 0.000 1.142 256 I CA 0.896 62.103 61.300 -0.155 0.000 1.451 256 I CB -0.341 37.626 38.000 -0.054 0.000 1.093 256 I HN 0.394 nan 8.210 nan 0.000 0.430 257 Q N 0.587 120.325 119.800 -0.104 0.000 2.020 257 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 257 Q C 2.171 178.114 176.000 -0.095 0.000 0.982 257 Q CA 1.698 57.451 55.803 -0.083 0.000 0.838 257 Q CB -0.143 28.539 28.738 -0.093 0.000 0.899 257 Q HN 0.442 nan 8.270 nan 0.000 0.423 258 E N 0.466 120.591 120.200 -0.124 0.000 2.110 258 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 258 E C 2.043 178.618 176.600 -0.041 0.000 0.988 258 E CA 0.688 57.035 56.400 -0.088 0.000 0.804 258 E CB -0.000 29.636 29.700 -0.107 0.000 0.745 258 E HN 0.309 nan 8.360 nan 0.000 0.458 259 L N 0.122 121.246 121.223 -0.165 0.000 2.017 259 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 259 L C 2.620 179.456 176.870 -0.056 0.000 1.073 259 L CA 1.482 56.206 54.840 -0.192 0.000 0.745 259 L CB -0.433 41.390 42.059 -0.393 0.000 0.894 259 L HN 0.160 nan 8.230 nan 0.000 0.432 260 T N -0.996 113.530 114.554 -0.047 0.000 2.788 260 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 260 T C 2.104 176.796 174.700 -0.015 0.000 1.044 260 T CA 1.525 63.620 62.100 -0.008 0.000 1.139 260 T CB -0.195 68.677 68.868 0.006 0.000 0.867 260 T HN 0.559 nan 8.240 nan 0.000 0.454 261 S N 0.744 116.416 115.700 -0.048 0.000 2.355 261 S HA -0.133 4.337 4.470 -0.000 0.000 0.222 261 S C 1.825 176.350 174.600 -0.125 0.000 1.031 261 S CA 0.885 59.020 58.200 -0.108 0.000 0.993 261 S CB -0.953 62.139 63.200 -0.180 0.000 0.859 261 S HN 0.523 nan 8.310 nan 0.000 0.453 262 Y N 2.482 122.731 120.300 -0.085 0.000 2.574 262 Y HA 0.223 4.773 4.550 0.000 0.000 0.294 262 Y C 1.977 177.863 175.900 -0.023 0.000 1.142 262 Y CA 0.423 58.484 58.100 -0.066 0.000 1.314 262 Y CB -0.603 37.794 38.460 -0.104 0.000 0.991 262 Y HN 0.563 nan 8.280 nan 0.000 0.555 263 G N 0.709 109.571 108.800 0.104 0.000 2.171 263 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.238 263 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.238 263 G C -0.117 174.847 174.900 0.107 0.000 1.039 263 G CA -0.018 45.133 45.100 0.085 0.000 0.759 263 G HN 0.296 nan 8.290 nan 0.000 0.501 264 I N 0.661 121.286 120.570 0.091 0.000 2.359 264 I HA 0.272 4.442 4.170 -0.000 0.000 0.294 264 I C 0.430 176.598 176.117 0.086 0.000 0.987 264 I CA -0.801 60.558 61.300 0.099 0.000 1.225 264 I CB 1.330 39.355 38.000 0.042 0.000 1.366 264 I HN 0.188 nan 8.210 nan 0.000 0.466 265 D N 4.224 124.702 120.400 0.130 0.000 2.414 265 D HA 0.134 4.774 4.640 -0.000 0.000 0.242 265 D C -0.430 175.950 176.300 0.134 0.000 1.129 265 D CA 0.653 54.725 54.000 0.121 0.000 0.885 265 D CB 0.865 41.750 40.800 0.142 0.000 1.198 265 D HN 0.502 nan 8.370 nan 0.000 0.437 266 T N 2.095 116.697 114.554 0.080 0.000 3.237 266 T HA 0.379 4.729 4.350 -0.000 0.000 0.319 266 T C -0.847 173.722 174.700 -0.218 0.000 1.037 266 T CA -0.632 61.497 62.100 0.049 0.000 1.048 266 T CB 0.253 69.200 68.868 0.131 0.000 1.081 266 T HN 0.660 nan 8.240 nan 0.000 0.455 267 H N 2.301 121.146 119.070 -0.374 0.000 2.985 267 H HA 0.770 5.326 4.556 -0.000 0.000 0.246 267 H C -0.485 174.604 175.328 -0.398 0.000 1.181 267 H CA -0.183 55.335 56.048 -0.883 0.000 0.972 267 H CB 0.074 29.543 29.762 -0.488 0.000 2.016 267 H HN 0.639 nan 8.280 nan 0.000 0.672 268 A N 1.306 124.034 122.820 -0.154 0.000 2.437 268 A HA 0.615 4.935 4.320 -0.000 0.000 0.293 268 A C -1.379 176.299 177.584 0.157 0.000 1.038 268 A CA -0.632 51.431 52.037 0.043 0.000 0.708 268 A CB 0.968 19.861 19.000 -0.178 0.000 1.251 268 A HN 0.332 nan 8.150 nan 0.000 0.409 269 I N 2.601 123.255 120.570 0.140 0.000 2.436 269 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 269 I C -0.687 175.438 176.117 0.014 0.000 1.010 269 I CA -1.027 60.275 61.300 0.004 0.000 1.098 269 I CB 2.087 39.985 38.000 -0.171 0.000 1.266 269 I HN 0.313 nan 8.210 nan 0.000 0.434 270 V N 7.333 127.252 119.914 0.009 0.000 2.348 270 V HA 0.192 4.312 4.120 -0.000 0.000 0.270 270 V C 0.151 176.256 176.094 0.018 0.000 1.037 270 V CA -0.543 61.770 62.300 0.023 0.000 0.872 270 V CB 1.547 33.391 31.823 0.034 0.000 1.002 270 V HN 0.403 nan 8.190 nan 0.000 0.464 271 V N 5.569 125.498 119.914 0.024 0.000 2.339 271 V HA 0.294 4.414 4.120 -0.000 0.000 0.261 271 V C 0.365 176.473 176.094 0.024 0.000 1.058 271 V CA -0.399 61.910 62.300 0.015 0.000 0.897 271 V CB 0.801 32.636 31.823 0.020 0.000 1.052 271 V HN 0.858 nan 8.190 nan 0.000 0.480 272 N N 2.852 121.568 118.700 0.028 0.000 2.482 272 N HA 0.297 5.036 4.740 -0.000 0.000 0.279 272 N C 0.325 175.845 175.510 0.018 0.000 1.182 272 N CA -0.275 52.810 53.050 0.057 0.000 0.969 272 N CB 0.837 39.378 38.487 0.090 0.000 1.201 272 N HN 0.630 nan 8.380 nan 0.000 0.523 273 Q N -0.826 118.994 119.800 0.032 0.000 2.494 273 Q HA -0.209 4.131 4.340 -0.000 0.000 0.272 273 Q C -0.766 175.198 176.000 -0.060 0.000 1.145 273 Q CA 0.373 56.172 55.803 -0.006 0.000 0.943 273 Q CB -1.865 26.867 28.738 -0.010 0.000 1.338 273 Q HN 0.484 nan 8.270 nan 0.000 0.492 274 L N 0.707 121.857 121.223 -0.121 0.000 2.395 274 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 274 L C 0.697 177.366 176.870 -0.335 0.000 1.133 274 L CA -0.402 54.281 54.840 -0.261 0.000 0.812 274 L CB 0.482 42.287 42.059 -0.423 0.000 1.125 274 L HN 0.129 nan 8.230 nan 0.000 0.452 275 L N 2.083 123.125 121.223 -0.302 0.000 2.350 275 L HA 0.428 4.768 4.340 -0.000 0.000 0.275 275 L C -0.715 175.941 176.870 -0.356 0.000 1.099 275 L CA -0.191 54.523 54.840 -0.209 0.000 0.808 275 L CB 0.854 42.867 42.059 -0.077 0.000 1.149 275 L HN 0.338 nan 8.230 nan 0.000 0.442 276 F N 0.813 120.816 119.950 0.088 0.000 2.579 276 F HA 0.584 5.111 4.527 -0.000 0.000 0.324 276 F C -1.498 174.358 175.800 0.094 0.000 1.058 276 F CA -1.938 56.133 58.000 0.119 0.000 0.944 276 F CB 0.557 39.688 39.000 0.218 0.000 1.245 276 F HN 0.314 nan 8.300 nan 0.000 0.477 283 C N 0.335 119.648 119.300 0.023 0.000 2.291 283 C HA 0.752 5.212 4.460 -0.000 0.000 0.322 283 C C 1.091 176.094 174.990 0.020 0.000 1.205 283 C CA -0.547 58.483 59.018 0.021 0.000 1.495 283 C CB 0.951 28.705 27.740 0.024 0.000 2.127 283 C HN 0.445 nan 8.230 nan 0.000 0.452 284 E N 1.919 122.129 120.200 0.017 0.000 2.028 284 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 284 E C 2.075 178.684 176.600 0.015 0.000 0.988 284 E CA 1.573 57.982 56.400 0.015 0.000 0.799 284 E CB -0.084 29.623 29.700 0.012 0.000 0.755 284 E HN 0.932 nan 8.360 nan 0.000 0.447 285 Q N 0.078 119.886 119.800 0.013 0.000 2.226 285 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 285 Q C 2.219 178.227 176.000 0.015 0.000 0.975 285 Q CA 1.514 57.324 55.803 0.012 0.000 0.866 285 Q CB -0.273 28.472 28.738 0.011 0.000 0.915 285 Q HN 0.404 nan 8.270 nan 0.000 0.440 286 C N 0.719 120.029 119.300 0.018 0.000 2.432 286 C HA -0.016 4.444 4.460 -0.000 0.000 0.280 286 C C 2.257 177.260 174.990 0.022 0.000 1.353 286 C CA 0.772 59.802 59.018 0.020 0.000 1.766 286 C CB -1.196 26.559 27.740 0.025 0.000 1.924 286 C HN 0.581 nan 8.230 nan 0.000 0.509 287 N N 1.110 119.823 118.700 0.022 0.000 2.188 287 N HA -0.049 4.691 4.740 -0.000 0.000 0.184 287 N C 1.956 177.476 175.510 0.017 0.000 1.018 287 N CA 1.623 54.686 53.050 0.023 0.000 0.858 287 N CB -0.487 38.014 38.487 0.023 0.000 0.989 287 N HN 0.633 nan 8.380 nan 0.000 0.426 288 A N 1.151 123.979 122.820 0.013 0.000 1.902 288 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 288 A C 2.261 179.851 177.584 0.010 0.000 1.181 288 A CA 1.650 53.692 52.037 0.008 0.000 0.623 288 A CB -0.477 18.527 19.000 0.007 0.000 0.818 288 A HN 0.225 nan 8.150 nan 0.000 0.443 289 R N -0.097 120.412 120.500 0.015 0.000 2.120 289 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 289 R C 2.200 178.513 176.300 0.020 0.000 1.123 289 R CA 1.853 57.966 56.100 0.022 0.000 0.975 289 R CB -0.462 29.851 30.300 0.021 0.000 0.866 289 R HN 0.549 nan 8.270 nan 0.000 0.446 290 R N 0.128 120.636 120.500 0.013 0.000 2.090 290 R HA -0.003 4.337 4.340 -0.000 0.000 0.228 290 R C 1.747 178.053 176.300 0.009 0.000 1.110 290 R CA 1.318 57.422 56.100 0.007 0.000 0.973 290 R CB -0.009 30.299 30.300 0.013 0.000 0.869 290 R HN 0.133 nan 8.270 nan 0.000 0.440 291 K N -0.011 120.393 120.400 0.007 0.000 2.152 291 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 291 K C 2.056 178.643 176.600 -0.022 0.000 1.048 291 K CA 1.604 57.889 56.287 -0.003 0.000 0.933 291 K CB -0.012 32.484 32.500 -0.006 0.000 0.721 291 K HN 0.288 nan 8.250 nan 0.000 0.447 292 M N 0.214 119.804 119.600 -0.017 0.000 2.156 292 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 292 M C 2.149 178.444 176.300 -0.008 0.000 1.067 292 M CA 1.488 56.758 55.300 -0.049 0.000 1.131 292 M CB -0.236 32.366 32.600 0.002 0.000 1.368 292 M HN 0.147 nan 8.290 nan 0.000 0.416 293 Q N 0.403 120.245 119.800 0.070 0.000 2.096 293 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 293 Q C 2.065 178.110 176.000 0.074 0.000 0.982 293 Q CA 1.493 57.365 55.803 0.114 0.000 0.850 293 Q CB -0.184 28.576 28.738 0.037 0.000 0.901 293 Q HN 0.422 nan 8.270 nan 0.000 0.422 294 K N 1.004 121.420 120.400 0.026 0.000 2.074 294 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 294 K C 1.896 178.504 176.600 0.012 0.000 1.048 294 K CA 1.556 57.857 56.287 0.023 0.000 0.926 294 K CB 0.104 32.612 32.500 0.014 0.000 0.713 294 K HN -0.025 nan 8.250 nan 0.000 0.444 295 K N -0.523 119.850 120.400 -0.044 0.000 1.985 295 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 295 K C 2.091 178.657 176.600 -0.056 0.000 1.047 295 K CA 1.952 58.177 56.287 -0.103 0.000 0.932 295 K CB -0.311 32.051 32.500 -0.230 0.000 0.716 295 K HN 0.135 nan 8.250 nan 0.000 0.439 296 Y N 0.331 120.653 120.300 0.036 0.000 2.256 296 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 296 Y C 1.974 177.896 175.900 0.037 0.000 1.155 296 Y CA 0.769 58.897 58.100 0.046 0.000 1.203 296 Y CB -0.338 38.151 38.460 0.049 0.000 0.980 296 Y HN 0.032 nan 8.280 nan 0.000 0.530 297 L N 0.097 121.426 121.223 0.178 0.000 2.156 297 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 297 L C 2.003 178.931 176.870 0.095 0.000 1.095 297 L CA 1.595 56.507 54.840 0.119 0.000 0.770 297 L CB -0.702 41.409 42.059 0.087 0.000 0.914 297 L HN 0.196 nan 8.230 nan 0.000 0.439 298 E N -1.270 118.974 120.200 0.072 0.000 2.072 298 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 298 E C 2.105 178.734 176.600 0.048 0.000 0.985 298 E CA 1.034 57.464 56.400 0.051 0.000 0.801 298 E CB -0.062 29.655 29.700 0.029 0.000 0.750 298 E HN 0.571 nan 8.360 nan 0.000 0.452 299 Q N 0.459 120.295 119.800 0.060 0.000 2.030 299 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 299 Q C 2.326 178.341 176.000 0.025 0.000 0.986 299 Q CA 1.449 57.281 55.803 0.048 0.000 0.843 299 Q CB -0.210 28.590 28.738 0.104 0.000 0.904 299 Q HN 0.351 nan 8.270 nan 0.000 0.420 300 I N 0.868 121.490 120.570 0.086 0.000 2.127 300 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 300 I C 2.203 178.391 176.117 0.119 0.000 1.075 300 I CA 1.039 62.422 61.300 0.138 0.000 1.334 300 I CB -0.457 37.644 38.000 0.169 0.000 1.040 300 I HN 0.186 nan 8.210 nan 0.000 0.405 301 E N 0.606 120.864 120.200 0.097 0.000 2.160 301 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 301 E C 1.954 178.585 176.600 0.053 0.000 0.991 301 E CA 1.292 57.746 56.400 0.092 0.000 0.810 301 E CB -0.219 29.529 29.700 0.080 0.000 0.742 301 E HN 0.596 nan 8.360 nan 0.000 0.466 302 E N 0.345 120.549 120.200 0.005 0.000 2.033 302 E HA -0.063 4.287 4.350 -0.000 0.000 0.189 302 E C 2.350 178.887 176.600 -0.106 0.000 0.979 302 E CA 0.216 56.598 56.400 -0.030 0.000 0.802 302 E CB 0.080 29.762 29.700 -0.031 0.000 0.763 302 E HN 0.131 nan 8.360 nan 0.000 0.449 303 L N 0.062 121.137 121.223 -0.245 0.000 2.042 303 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 303 L C 0.817 177.331 176.870 -0.593 0.000 1.076 303 L CA 1.123 55.647 54.840 -0.527 0.000 0.749 303 L CB -0.319 41.187 42.059 -0.921 0.000 0.893 303 L HN 0.245 nan 8.230 nan 0.000 0.432 304 Y N -0.639 119.609 120.300 -0.086 0.000 2.793 304 Y HA 0.173 4.723 4.550 -0.000 0.000 0.374 304 Y C 1.428 177.405 175.900 0.129 0.000 1.135 304 Y CA -0.536 57.513 58.100 -0.085 0.000 1.451 304 Y CB -0.211 37.968 38.460 -0.467 0.000 1.541 304 Y HN 0.091 nan 8.280 nan 0.000 0.546 305 E N 0.446 120.766 120.200 0.201 0.000 2.204 305 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 305 E C 0.654 177.390 176.600 0.228 0.000 0.989 305 E CA 1.155 57.660 56.400 0.175 0.000 0.824 305 E CB 0.309 30.069 29.700 0.100 0.000 0.756 305 E HN 0.512 nan 8.360 nan 0.000 0.477 306 D N -0.645 119.945 120.400 0.316 0.000 2.349 306 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 306 D C -0.387 176.059 176.300 0.244 0.000 1.029 306 D CA 0.430 54.578 54.000 0.247 0.000 0.879 306 D CB 0.022 40.947 40.800 0.209 0.000 0.906 306 D HN 0.094 nan 8.370 nan 0.000 0.528 307 F N 0.823 120.869 119.950 0.161 0.000 2.440 307 F HA 0.271 4.798 4.527 -0.000 0.000 0.328 307 F C 1.013 176.895 175.800 0.136 0.000 1.070 307 F CA -1.221 56.876 58.000 0.161 0.000 1.011 307 F CB 0.911 39.992 39.000 0.135 0.000 1.226 307 F HN -0.358 nan 8.300 nan 0.000 0.491 308 N N 1.705 120.575 118.700 0.283 0.000 2.420 308 N HA 0.157 4.897 4.740 -0.000 0.000 0.262 308 N C -0.947 174.678 175.510 0.191 0.000 1.144 308 N CA -0.026 53.142 53.050 0.197 0.000 0.952 308 N CB 1.414 39.992 38.487 0.152 0.000 1.081 308 N HN 0.179 nan 8.380 nan 0.000 0.480 309 V N 3.405 123.416 119.914 0.162 0.000 2.288 309 V HA 0.144 4.264 4.120 -0.000 0.000 0.266 309 V C 0.437 176.590 176.094 0.098 0.000 1.048 309 V CA -0.746 61.631 62.300 0.128 0.000 0.842 309 V CB 0.934 32.838 31.823 0.135 0.000 1.064 309 V HN 0.278 nan 8.190 nan 0.000 0.472 310 V N 6.386 126.346 119.914 0.076 0.000 2.488 310 V HA 0.336 4.456 4.120 -0.000 0.000 0.277 310 V C 0.591 176.727 176.094 0.071 0.000 1.046 310 V CA -0.364 61.973 62.300 0.062 0.000 0.986 310 V CB 0.958 32.800 31.823 0.033 0.000 0.989 310 V HN 0.769 nan 8.190 nan 0.000 0.475 311 R N 5.869 126.433 120.500 0.106 0.000 2.255 311 R HA 0.625 4.965 4.340 -0.000 0.000 0.326 311 R C -0.753 175.643 176.300 0.159 0.000 0.986 311 R CA -0.535 55.656 56.100 0.151 0.000 0.847 311 R CB 1.265 31.720 30.300 0.259 0.000 1.111 311 R HN 0.523 nan 8.270 nan 0.000 0.452 312 M N 3.898 123.554 119.600 0.094 0.000 2.383 312 M HA 0.439 4.919 4.480 -0.000 0.000 0.325 312 M C -2.470 173.864 176.300 0.057 0.000 1.092 312 M CA -3.009 52.313 55.300 0.036 0.000 0.961 312 M CB 1.715 34.307 32.600 -0.014 0.000 1.672 312 M HN 0.234 nan 8.290 nan 0.000 0.438 313 P HA 0.308 nan 4.420 nan 0.000 0.281 313 P C -0.622 176.670 177.300 -0.013 0.000 1.249 313 P CA -0.742 62.332 63.100 -0.044 0.000 0.810 313 P CB 0.616 32.056 31.700 -0.432 0.000 1.008 314 L N 3.303 124.514 121.223 -0.019 0.000 2.418 314 L HA 0.167 4.507 4.340 -0.000 0.000 0.274 314 L C -0.652 176.228 176.870 0.017 0.000 1.135 314 L CA 0.370 55.215 54.840 0.008 0.000 0.870 314 L CB -0.748 41.306 42.059 -0.008 0.000 1.154 314 L HN 0.191 nan 8.230 nan 0.000 0.462 315 L N 5.267 126.511 121.223 0.035 0.000 2.416 315 L HA 0.297 4.637 4.340 -0.000 0.000 0.262 315 L C 1.141 178.025 176.870 0.022 0.000 1.093 315 L CA -0.889 53.974 54.840 0.037 0.000 0.801 315 L CB 1.336 43.434 42.059 0.065 0.000 1.191 315 L HN 0.471 nan 8.230 nan 0.000 0.459 316 V N -0.307 119.625 119.914 0.029 0.000 2.951 316 V HA -0.007 4.113 4.120 -0.000 0.000 0.255 316 V C 0.628 176.728 176.094 0.011 0.000 1.088 316 V CA 1.105 63.418 62.300 0.022 0.000 1.109 316 V CB -0.546 31.296 31.823 0.031 0.000 0.724 316 V HN 0.717 nan 8.190 nan 0.000 0.471 317 E N -0.518 119.687 120.200 0.007 0.000 2.312 317 E HA 0.381 4.731 4.350 -0.000 0.000 0.267 317 E C -0.632 175.951 176.600 -0.027 0.000 0.894 317 E CA -0.695 55.702 56.400 -0.005 0.000 0.773 317 E CB 1.800 31.501 29.700 0.002 0.000 1.241 317 E HN 0.367 nan 8.360 nan 0.000 0.432 318 E N 0.621 120.797 120.200 -0.040 0.000 2.534 318 E HA -0.033 4.317 4.350 -0.000 0.000 0.264 318 E C -0.434 176.111 176.600 -0.092 0.000 0.981 318 E CA 0.139 56.496 56.400 -0.071 0.000 0.948 318 E CB 0.575 30.238 29.700 -0.061 0.000 0.934 318 E HN 0.122 nan 8.360 nan 0.000 0.459 319 V N 4.765 124.581 119.914 -0.164 0.000 2.153 319 V HA 0.072 4.192 4.120 -0.000 0.000 0.250 319 V C 1.139 177.126 176.094 -0.179 0.000 1.334 319 V CA 0.422 62.599 62.300 -0.206 0.000 1.249 319 V CB -0.282 31.270 31.823 -0.450 0.000 1.371 319 V HN 0.624 nan 8.190 nan 0.000 0.498 320 R N 2.321 122.757 120.500 -0.106 0.000 2.167 320 R HA 0.303 4.643 4.340 -0.000 0.000 0.195 320 R C 1.488 177.757 176.300 -0.052 0.000 1.027 320 R CA 0.606 56.652 56.100 -0.090 0.000 1.114 320 R CB 0.191 30.457 30.300 -0.056 0.000 1.075 320 R HN 0.702 nan 8.270 nan 0.000 0.538 321 G N 0.906 109.698 108.800 -0.013 0.000 2.690 321 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.239 321 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.239 321 G C 0.262 175.201 174.900 0.065 0.000 1.233 321 G CA -0.194 44.925 45.100 0.032 0.000 0.847 321 G HN 0.260 nan 8.290 nan 0.000 0.588 322 K N 0.180 120.663 120.400 0.139 0.000 2.057 322 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 322 K C 2.330 179.032 176.600 0.171 0.000 1.049 322 K CA 1.963 58.390 56.287 0.234 0.000 0.931 322 K CB -0.182 32.472 32.500 0.256 0.000 0.714 322 K HN 0.778 nan 8.250 nan 0.000 0.440 323 E N 0.660 120.925 120.200 0.107 0.000 2.150 323 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 323 E C 1.739 178.394 176.600 0.092 0.000 0.985 323 E CA 1.114 57.566 56.400 0.087 0.000 0.814 323 E CB -0.017 29.717 29.700 0.056 0.000 0.752 323 E HN 0.255 nan 8.360 nan 0.000 0.466 324 K N 0.600 121.046 120.400 0.076 0.000 2.062 324 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 324 K C 2.287 178.946 176.600 0.098 0.000 1.051 324 K CA 1.047 57.377 56.287 0.071 0.000 0.941 324 K CB -0.134 32.383 32.500 0.027 0.000 0.719 324 K HN 0.167 nan 8.250 nan 0.000 0.440 325 L N 0.972 122.238 121.223 0.071 0.000 2.079 325 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 325 L C 2.449 179.431 176.870 0.186 0.000 1.081 325 L CA 1.232 56.121 54.840 0.083 0.000 0.752 325 L CB -0.243 41.806 42.059 -0.017 0.000 0.896 325 L HN 0.226 nan 8.230 nan 0.000 0.433 326 E N 0.573 120.885 120.200 0.186 0.000 2.031 326 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 326 E C 2.035 178.730 176.600 0.158 0.000 0.994 326 E CA 1.565 58.077 56.400 0.187 0.000 0.800 326 E CB 0.017 29.822 29.700 0.175 0.000 0.752 326 E HN 0.234 nan 8.360 nan 0.000 0.447 327 K N -0.114 120.374 120.400 0.145 0.000 2.063 327 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 327 K C 1.934 178.626 176.600 0.155 0.000 1.048 327 K CA 1.740 58.105 56.287 0.130 0.000 0.928 327 K CB -0.759 31.811 32.500 0.117 0.000 0.713 327 K HN 0.247 nan 8.250 nan 0.000 0.442 328 F N 1.429 121.405 119.950 0.042 0.000 2.146 328 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 328 F C 2.194 178.020 175.800 0.043 0.000 1.096 328 F CA 1.798 59.816 58.000 0.030 0.000 1.275 328 F CB -0.546 38.456 39.000 0.004 0.000 1.008 328 F HN 0.256 nan 8.300 nan 0.000 0.480 329 S N -0.371 115.434 115.700 0.175 0.000 2.419 329 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 329 S C 1.777 176.388 174.600 0.018 0.000 1.016 329 S CA 1.127 59.379 58.200 0.087 0.000 0.974 329 S CB -0.623 62.662 63.200 0.141 0.000 0.786 329 S HN 0.472 nan 8.310 nan 0.000 0.492 330 E N 1.447 121.674 120.200 0.045 0.000 2.153 330 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 330 E C 1.829 178.471 176.600 0.070 0.000 0.988 330 E CA 1.006 57.456 56.400 0.084 0.000 0.811 330 E CB -0.430 29.320 29.700 0.083 0.000 0.746 330 E HN 0.663 nan 8.360 nan 0.000 0.466 331 M N 0.191 119.767 119.600 -0.041 0.000 2.686 331 M HA -0.021 4.459 4.480 -0.000 0.000 0.246 331 M C 1.733 177.978 176.300 -0.092 0.000 1.096 331 M CA 0.486 55.751 55.300 -0.058 0.000 1.076 331 M CB 0.031 32.537 32.600 -0.157 0.000 1.504 331 M HN 0.004 nan 8.290 nan 0.000 0.524 332 L N -1.166 119.997 121.223 -0.100 0.000 2.558 332 L HA 0.004 4.344 4.340 -0.000 0.000 0.225 332 L C 1.825 178.668 176.870 -0.046 0.000 1.128 332 L CA 0.186 54.983 54.840 -0.071 0.000 0.868 332 L CB 0.179 42.206 42.059 -0.053 0.000 1.006 332 L HN 0.186 nan 8.230 nan 0.000 0.454 333 V N -2.518 117.369 119.914 -0.045 0.000 3.497 333 V HA 0.193 4.312 4.120 -0.000 0.000 0.272 333 V C -0.038 175.847 176.094 -0.349 0.000 1.474 333 V CA -0.132 62.075 62.300 -0.154 0.000 1.025 333 V CB 0.402 32.145 31.823 -0.133 0.000 0.820 333 V HN 0.295 nan 8.190 nan 0.000 0.437 334 H N 1.810 120.878 119.070 -0.004 0.000 2.991 334 H HA 0.400 4.956 4.556 -0.000 0.000 0.304 334 H C -2.683 172.646 175.328 0.002 0.000 1.040 334 H CA -1.813 54.234 56.048 -0.002 0.000 1.410 334 H CB 1.480 31.240 29.762 -0.004 0.000 1.529 334 H HN 0.262 nan 8.280 nan 0.000 0.509 335 P HA -0.163 nan 4.420 nan 0.000 0.259 335 P C -0.052 177.283 177.300 0.058 0.000 1.163 335 P CA 0.496 63.634 63.100 0.064 0.000 0.760 335 P CB 0.161 31.883 31.700 0.036 0.000 0.762 336 Y N 5.184 125.446 120.300 -0.063 0.000 2.480 336 Y HA 0.318 4.868 4.550 -0.000 0.000 0.338 336 Y C 0.060 175.802 175.900 -0.263 0.000 1.220 336 Y CA 0.087 58.103 58.100 -0.140 0.000 1.430 336 Y CB 0.542 38.923 38.460 -0.132 0.000 1.311 336 Y HN 0.248 nan 8.280 nan 0.000 0.575 337 V N 4.381 123.641 119.914 -1.089 0.000 2.808 337 V HA 0.545 4.665 4.120 -0.000 0.000 0.308 337 V C -2.424 172.959 176.094 -1.185 0.000 1.099 337 V CA -2.238 59.493 62.300 -0.948 0.000 0.920 337 V CB 0.876 32.430 31.823 -0.447 0.000 1.014 337 V HN 0.769 nan 8.190 nan 0.000 0.425 338 P HA 0.000 nan 4.420 nan 0.000 0.216 338 P CA 0.000 62.856 63.100 -0.406 0.000 0.800 338 P CB 0.000 31.593 31.700 -0.179 0.000 0.726