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 2dgl_1_E DATA FIRST_RESID 3 DATA SEQUENCE KKQVTDLRSE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DATA SEQUENCE DGNARQNLAT FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN DATA SEQUENCE MVADLWHAPA PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DATA SEQUENCE DKPNLVCGPV QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT DATA SEQUENCE IGVVPTFGVT YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP DATA SEQUENCE FVAPDIVWDF RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN DATA SEQUENCE VDYLGGQIGT FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY DATA SEQUENCE LADEIAKLGP YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR DATA SEQUENCE GWQVPAFTLG GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP DATA SEQUENCE KL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.595 176.600 -0.008 0.000 0.988 3 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 3 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 4 K N 1.396 121.791 120.400 -0.009 0.000 2.209 4 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 4 K C 1.223 177.815 176.600 -0.013 0.000 1.048 4 K CA 1.428 57.709 56.287 -0.010 0.000 0.940 4 K CB 0.146 32.640 32.500 -0.010 0.000 0.729 4 K HN 0.289 nan 8.250 nan 0.000 0.451 5 Q N 0.378 120.170 119.800 -0.014 0.000 1.985 5 Q HA -0.168 4.172 4.340 -0.000 0.000 0.207 5 Q C 2.221 178.211 176.000 -0.017 0.000 0.996 5 Q CA 1.926 57.718 55.803 -0.018 0.000 0.851 5 Q CB -0.554 28.174 28.738 -0.017 0.000 0.921 5 Q HN 0.239 nan 8.270 nan 0.000 0.418 6 V N 0.621 120.527 119.914 -0.013 0.000 2.626 6 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 6 V C 2.279 178.367 176.094 -0.011 0.000 1.067 6 V CA 1.928 64.221 62.300 -0.012 0.000 1.081 6 V CB -1.122 30.695 31.823 -0.009 0.000 0.686 6 V HN 0.346 nan 8.190 nan 0.000 0.468 7 T N 0.018 114.566 114.554 -0.010 0.000 2.737 7 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 7 T C 1.644 176.338 174.700 -0.010 0.000 1.038 7 T CA 1.684 63.779 62.100 -0.008 0.000 1.144 7 T CB -0.363 68.500 68.868 -0.007 0.000 0.866 7 T HN 0.455 nan 8.240 nan 0.000 0.434 8 D N 1.064 121.456 120.400 -0.013 0.000 2.097 8 D HA -0.039 4.601 4.640 -0.000 0.000 0.195 8 D C 2.008 178.298 176.300 -0.017 0.000 0.989 8 D CA 0.512 54.503 54.000 -0.015 0.000 0.827 8 D CB -0.561 40.227 40.800 -0.020 0.000 0.966 8 D HN 0.129 nan 8.370 nan 0.000 0.456 9 L N 1.051 122.263 121.223 -0.018 0.000 2.046 9 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 9 L C 2.239 179.100 176.870 -0.014 0.000 1.077 9 L CA 1.658 56.487 54.840 -0.018 0.000 0.747 9 L CB -0.472 41.576 42.059 -0.018 0.000 0.896 9 L HN -0.102 nan 8.230 nan 0.000 0.432 10 R N -1.166 119.327 120.500 -0.012 0.000 2.105 10 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 10 R C 2.085 178.379 176.300 -0.009 0.000 1.135 10 R CA 1.742 57.836 56.100 -0.010 0.000 0.967 10 R CB -0.194 30.101 30.300 -0.008 0.000 0.861 10 R HN 0.457 nan 8.270 nan 0.000 0.442 11 S N 0.410 116.105 115.700 -0.009 0.000 2.371 11 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 11 S C 1.625 176.219 174.600 -0.011 0.000 1.029 11 S CA 1.238 59.433 58.200 -0.008 0.000 0.978 11 S CB -0.128 63.068 63.200 -0.006 0.000 0.833 11 S HN 0.457 nan 8.310 nan 0.000 0.466 12 E N 0.845 121.037 120.200 -0.014 0.000 2.209 12 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 12 E C 1.830 178.420 176.600 -0.018 0.000 0.993 12 E CA 0.726 57.116 56.400 -0.017 0.000 0.819 12 E CB -0.116 29.572 29.700 -0.019 0.000 0.745 12 E HN 0.380 nan 8.360 nan 0.000 0.477 13 L N -0.471 120.742 121.223 -0.015 0.000 2.168 13 L HA 0.103 4.443 4.340 -0.000 0.000 0.203 13 L C 1.711 178.572 176.870 -0.015 0.000 1.078 13 L CA 1.286 56.117 54.840 -0.015 0.000 0.780 13 L CB 0.045 42.096 42.059 -0.013 0.000 0.939 13 L HN 0.193 nan 8.230 nan 0.000 0.451 14 L N -1.130 120.086 121.223 -0.011 0.000 2.408 14 L HA 0.130 4.470 4.340 -0.000 0.000 0.215 14 L C 0.205 177.070 176.870 -0.007 0.000 1.081 14 L CA -0.368 54.466 54.840 -0.009 0.000 0.840 14 L CB -0.438 41.618 42.059 -0.005 0.000 1.002 14 L HN 0.102 nan 8.230 nan 0.000 0.468 15 D N 1.378 121.773 120.400 -0.008 0.000 2.478 15 D HA 0.009 4.649 4.640 -0.000 0.000 0.234 15 D C 0.580 176.873 176.300 -0.011 0.000 1.154 15 D CA 0.330 54.327 54.000 -0.004 0.000 0.874 15 D CB 0.699 41.495 40.800 -0.005 0.000 1.198 15 D HN 0.107 nan 8.370 nan 0.000 0.455 16 S N 1.447 117.147 115.700 0.001 0.000 2.632 16 S HA 0.186 4.656 4.470 -0.000 0.000 0.267 16 S C 1.262 175.830 174.600 -0.053 0.000 1.276 16 S CA -0.727 57.469 58.200 -0.007 0.000 0.998 16 S CB 1.623 64.847 63.200 0.039 0.000 0.953 16 S HN 0.524 nan 8.310 nan 0.000 0.547 17 R N -0.046 120.371 120.500 -0.138 0.000 2.159 17 R HA -0.181 4.159 4.340 -0.000 0.000 0.252 17 R C 1.366 177.416 176.300 -0.417 0.000 1.144 17 R CA 2.397 58.294 56.100 -0.339 0.000 0.961 17 R CB -0.536 29.431 30.300 -0.555 0.000 0.877 17 R HN 0.783 nan 8.270 nan 0.000 0.444 18 F N -1.657 118.302 119.950 0.014 0.000 2.664 18 F HA 0.231 4.758 4.527 -0.000 0.000 0.296 18 F C 2.159 177.963 175.800 0.006 0.000 1.125 18 F CA 0.829 58.835 58.000 0.010 0.000 1.444 18 F CB -0.060 38.947 39.000 0.012 0.000 1.114 18 F HN 0.155 nan 8.300 nan 0.000 0.576 19 G N -0.249 108.631 108.800 0.133 0.000 2.777 19 G HA2 0.271 4.230 3.960 -0.000 0.000 0.211 19 G HA3 0.271 4.230 3.960 -0.000 0.000 0.211 19 G C 0.793 175.719 174.900 0.042 0.000 1.149 19 G CA 0.360 45.510 45.100 0.083 0.000 0.785 19 G HN 0.336 nan 8.290 nan 0.000 0.536 20 A N 0.323 123.153 122.820 0.017 0.000 2.483 20 A HA 0.349 4.669 4.320 -0.000 0.000 0.238 20 A C 1.464 179.052 177.584 0.006 0.000 1.070 20 A CA 0.356 52.390 52.037 -0.005 0.000 0.770 20 A CB 0.464 19.442 19.000 -0.036 0.000 1.008 20 A HN 0.294 nan 8.150 nan 0.000 0.497 21 K N 0.962 121.362 120.400 0.001 0.000 2.217 21 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 21 K C 1.797 178.399 176.600 0.002 0.000 1.051 21 K CA 1.518 57.808 56.287 0.004 0.000 0.952 21 K CB -0.121 32.379 32.500 -0.001 0.000 0.736 21 K HN 0.808 nan 8.250 nan 0.000 0.453 22 S N 0.753 116.449 115.700 -0.006 0.000 2.442 22 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 22 S C 1.650 176.247 174.600 -0.006 0.000 1.007 22 S CA 0.819 59.014 58.200 -0.008 0.000 0.965 22 S CB -0.213 62.977 63.200 -0.016 0.000 0.773 22 S HN 0.379 nan 8.310 nan 0.000 0.504 23 I N 2.247 122.816 120.570 -0.001 0.000 3.861 23 I HA 0.089 4.259 4.170 -0.000 0.000 0.329 23 I C 1.312 177.453 176.117 0.041 0.000 1.321 23 I CA 0.058 61.367 61.300 0.015 0.000 1.126 23 I CB 0.058 38.064 38.000 0.010 0.000 1.018 23 I HN 0.359 nan 8.210 nan 0.000 0.407 24 S N -1.353 114.365 115.700 0.029 0.000 2.575 24 S HA 0.097 4.566 4.470 -0.000 0.000 0.215 24 S C 0.842 175.455 174.600 0.022 0.000 0.966 24 S CA 0.011 58.229 58.200 0.031 0.000 0.911 24 S CB -0.462 62.752 63.200 0.024 0.000 0.780 24 S HN 0.443 nan 8.310 nan 0.000 0.514 25 T N -0.509 114.055 114.554 0.016 0.000 2.930 25 T HA 0.709 5.059 4.350 -0.000 0.000 0.290 25 T C -0.079 174.625 174.700 0.006 0.000 1.052 25 T CA -1.048 61.058 62.100 0.010 0.000 1.017 25 T CB 0.897 69.769 68.868 0.007 0.000 1.137 25 T HN 0.174 nan 8.240 nan 0.000 0.511 26 I N 1.570 122.141 120.570 0.002 0.000 2.696 26 I HA 0.418 4.588 4.170 -0.000 0.000 0.284 26 I C 1.284 177.394 176.117 -0.013 0.000 1.129 26 I CA -0.824 60.474 61.300 -0.004 0.000 1.410 26 I CB 0.695 38.692 38.000 -0.005 0.000 1.399 26 I HN 0.940 nan 8.210 nan 0.000 0.579 27 A N 4.467 127.274 122.820 -0.021 0.000 2.483 27 A HA 0.091 4.411 4.320 -0.000 0.000 0.238 27 A C 0.104 177.665 177.584 -0.037 0.000 1.070 27 A CA -0.203 51.813 52.037 -0.035 0.000 0.770 27 A CB 0.178 19.150 19.000 -0.046 0.000 1.008 27 A HN 0.731 nan 8.150 nan 0.000 0.497 28 E N 0.648 120.819 120.200 -0.048 0.000 2.384 28 E HA 0.293 4.643 4.350 -0.000 0.000 0.266 28 E C 0.714 177.281 176.600 -0.055 0.000 1.012 28 E CA 0.875 57.245 56.400 -0.050 0.000 0.901 28 E CB 0.488 30.146 29.700 -0.069 0.000 0.967 28 E HN 0.684 nan 8.360 nan 0.000 0.435 29 S N 2.944 118.620 115.700 -0.039 0.000 2.820 29 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 29 S C 0.598 175.186 174.600 -0.021 0.000 1.043 29 S CA -0.617 57.562 58.200 -0.034 0.000 1.245 29 S CB 0.234 63.418 63.200 -0.027 0.000 1.187 29 S HN 0.354 nan 8.310 nan 0.000 0.673 30 K N 1.664 122.055 120.400 -0.015 0.000 2.344 30 K HA 0.332 4.652 4.320 -0.000 0.000 0.200 30 K C 0.736 177.344 176.600 0.014 0.000 1.132 30 K CA 0.497 56.783 56.287 -0.001 0.000 0.935 30 K CB 0.451 32.951 32.500 0.000 0.000 1.089 30 K HN 0.652 nan 8.250 nan 0.000 0.496 31 R N -0.588 119.921 120.500 0.015 0.000 2.867 31 R HA 0.372 4.712 4.340 -0.000 0.000 0.268 31 R C -0.755 175.583 176.300 0.063 0.000 1.014 31 R CA -0.784 55.347 56.100 0.052 0.000 0.946 31 R CB 0.552 30.881 30.300 0.048 0.000 1.208 31 R HN -0.230 nan 8.270 nan 0.000 0.477 32 F N 2.574 122.507 119.950 -0.028 0.000 2.571 32 F HA 0.156 4.683 4.527 -0.000 0.000 0.384 32 F C -1.587 174.187 175.800 -0.044 0.000 1.058 32 F CA -0.900 57.080 58.000 -0.033 0.000 1.200 32 F CB 0.352 39.332 39.000 -0.034 0.000 1.077 32 F HN 0.402 nan 8.300 nan 0.000 0.558 33 P HA -0.103 nan 4.420 nan 0.000 0.266 33 P C 0.309 177.590 177.300 -0.030 0.000 1.193 33 P CA -0.064 62.963 63.100 -0.121 0.000 0.770 33 P CB 0.627 32.202 31.700 -0.208 0.000 0.836 34 L N 2.585 123.740 121.223 -0.114 0.000 2.130 34 L HA 0.096 4.436 4.340 -0.000 0.000 0.200 34 L C 0.820 177.428 176.870 -0.437 0.000 1.075 34 L CA 1.604 56.268 54.840 -0.294 0.000 0.768 34 L CB -0.516 41.261 42.059 -0.471 0.000 0.933 34 L HN 0.382 nan 8.230 nan 0.000 0.451 35 H N 0.188 119.274 119.070 0.026 0.000 2.676 35 H HA 0.394 4.950 4.556 -0.000 0.000 0.352 35 H C -0.520 174.813 175.328 0.008 0.000 1.193 35 H CA -0.715 55.344 56.048 0.019 0.000 1.243 35 H CB 0.709 30.477 29.762 0.010 0.000 1.751 35 H HN 0.254 nan 8.280 nan 0.000 0.567 36 E N 1.215 121.502 120.200 0.145 0.000 2.314 36 E HA 0.467 4.817 4.350 -0.000 0.000 0.262 36 E C -0.167 176.468 176.600 0.058 0.000 1.093 36 E CA -0.667 55.775 56.400 0.071 0.000 0.908 36 E CB 1.608 31.342 29.700 0.056 0.000 1.091 36 E HN 0.540 nan 8.360 nan 0.000 0.425 37 M N -0.988 118.627 119.600 0.025 0.000 2.704 37 M HA 0.504 4.984 4.480 -0.000 0.000 0.284 37 M C -0.765 175.535 176.300 -0.000 0.000 1.275 37 M CA -1.189 54.118 55.300 0.012 0.000 0.811 37 M CB 1.797 34.400 32.600 0.005 0.000 1.741 37 M HN 0.171 nan 8.290 nan 0.000 0.458 38 R N 2.104 122.598 120.500 -0.010 0.000 2.480 38 R HA -0.020 4.320 4.340 -0.000 0.000 0.303 38 R C 0.322 176.614 176.300 -0.012 0.000 0.985 38 R CA 0.388 56.478 56.100 -0.017 0.000 1.051 38 R CB 0.064 30.347 30.300 -0.029 0.000 0.935 38 R HN 0.799 nan 8.270 nan 0.000 0.410 39 D N 3.079 123.473 120.400 -0.010 0.000 2.149 39 D HA -0.257 4.383 4.640 -0.000 0.000 0.198 39 D C 1.008 177.321 176.300 0.022 0.000 0.990 39 D CA 1.748 55.749 54.000 0.002 0.000 0.839 39 D CB -0.194 40.599 40.800 -0.012 0.000 0.948 39 D HN 0.625 nan 8.370 nan 0.000 0.460 40 D N 1.172 121.568 120.400 -0.006 0.000 2.144 40 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 40 D C 2.163 178.472 176.300 0.015 0.000 0.984 40 D CA 0.794 54.797 54.000 0.005 0.000 0.834 40 D CB -0.688 40.085 40.800 -0.044 0.000 0.955 40 D HN 0.303 nan 8.370 nan 0.000 0.465 41 V N 1.580 121.474 119.914 -0.034 0.000 2.270 41 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 41 V C 2.943 179.016 176.094 -0.034 0.000 1.043 41 V CA 1.834 64.093 62.300 -0.068 0.000 1.014 41 V CB -1.019 30.763 31.823 -0.068 0.000 0.645 41 V HN 0.376 nan 8.190 nan 0.000 0.447 42 A N -0.235 122.581 122.820 -0.007 0.000 1.892 42 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 42 A C 2.136 179.721 177.584 0.001 0.000 1.188 42 A CA 2.418 54.450 52.037 -0.009 0.000 0.631 42 A CB -0.824 18.177 19.000 0.002 0.000 0.822 42 A HN 0.551 nan 8.150 nan 0.000 0.447 43 F N 0.424 120.327 119.950 -0.078 0.000 2.075 43 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 43 F C 2.445 178.193 175.800 -0.087 0.000 1.113 43 F CA 2.424 60.377 58.000 -0.078 0.000 1.218 43 F CB -0.596 38.361 39.000 -0.072 0.000 0.984 43 F HN 0.306 nan 8.300 nan 0.000 0.472 44 Q N 0.986 120.745 119.800 -0.069 0.000 2.077 44 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 44 Q C 2.129 177.997 176.000 -0.220 0.000 0.989 44 Q CA 2.659 58.362 55.803 -0.167 0.000 0.853 44 Q CB -0.743 27.925 28.738 -0.117 0.000 0.907 44 Q HN 0.665 nan 8.270 nan 0.000 0.418 45 I N -0.385 120.095 120.570 -0.151 0.000 2.091 45 I HA -0.332 3.838 4.170 -0.000 0.000 0.239 45 I C 2.178 178.179 176.117 -0.193 0.000 1.061 45 I CA 1.490 62.719 61.300 -0.119 0.000 1.317 45 I CB -0.335 37.616 38.000 -0.082 0.000 1.031 45 I HN 0.274 nan 8.210 nan 0.000 0.401 46 I N 0.494 120.915 120.570 -0.249 0.000 2.179 46 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 46 I C 2.323 178.203 176.117 -0.396 0.000 1.088 46 I CA 1.966 63.099 61.300 -0.277 0.000 1.357 46 I CB -0.625 37.225 38.000 -0.251 0.000 1.051 46 I HN 0.357 nan 8.210 nan 0.000 0.409 47 N N 1.054 119.378 118.700 -0.627 0.000 2.061 47 N HA -0.255 4.485 4.740 -0.000 0.000 0.193 47 N C 1.486 176.578 175.510 -0.697 0.000 1.030 47 N CA 2.091 54.714 53.050 -0.713 0.000 0.856 47 N CB -0.011 37.917 38.487 -0.931 0.000 1.023 47 N HN 0.226 nan 8.380 nan 0.000 0.424 48 D N 0.224 120.309 120.400 -0.524 0.000 2.144 48 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 48 D C 1.657 177.797 176.300 -0.267 0.000 0.978 48 D CA 0.856 54.596 54.000 -0.433 0.000 0.833 48 D CB -0.382 40.375 40.800 -0.070 0.000 0.961 48 D HN 0.514 nan 8.370 nan 0.000 0.470 49 E N 0.482 120.561 120.200 -0.201 0.000 2.085 49 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 49 E C 2.318 178.849 176.600 -0.115 0.000 0.994 49 E CA 0.421 56.753 56.400 -0.114 0.000 0.801 49 E CB -0.168 29.468 29.700 -0.107 0.000 0.743 49 E HN 0.315 nan 8.360 nan 0.000 0.453 50 L N 0.360 121.460 121.223 -0.205 0.000 2.349 50 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 50 L C 2.059 178.896 176.870 -0.054 0.000 1.130 50 L CA 0.620 55.368 54.840 -0.154 0.000 0.791 50 L CB -0.420 41.517 42.059 -0.203 0.000 0.918 50 L HN 0.160 nan 8.230 nan 0.000 0.444 51 Y N -0.749 119.521 120.300 -0.050 0.000 2.403 51 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 51 Y C 2.180 178.058 175.900 -0.037 0.000 1.143 51 Y CA 0.399 58.475 58.100 -0.040 0.000 1.257 51 Y CB -0.314 38.124 38.460 -0.037 0.000 0.984 51 Y HN 0.111 nan 8.280 nan 0.000 0.550 52 L N 0.088 121.378 121.223 0.111 0.000 2.622 52 L HA -0.127 4.213 4.340 -0.000 0.000 0.233 52 L C 0.973 177.860 176.870 0.027 0.000 1.156 52 L CA 1.202 56.073 54.840 0.051 0.000 0.866 52 L CB -0.635 41.439 42.059 0.025 0.000 0.980 52 L HN 0.191 nan 8.230 nan 0.000 0.448 53 D N 0.141 120.560 120.400 0.030 0.000 2.289 53 D HA 0.147 4.787 4.640 -0.000 0.000 0.207 53 D C 1.308 177.617 176.300 0.015 0.000 0.966 53 D CA 0.901 54.909 54.000 0.013 0.000 0.868 53 D CB 0.529 41.332 40.800 0.005 0.000 0.943 53 D HN 0.359 nan 8.370 nan 0.000 0.514 54 G N 0.590 109.405 108.800 0.025 0.000 2.712 54 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.683 54 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.683 54 G C -0.381 174.524 174.900 0.008 0.000 1.320 54 G CA -0.626 44.476 45.100 0.004 0.000 0.847 54 G HN 0.199 nan 8.290 nan 0.000 0.553 55 N N 0.969 119.658 118.700 -0.017 0.000 2.406 55 N HA 0.491 5.231 4.740 -0.000 0.000 0.251 55 N C 1.491 177.008 175.510 0.012 0.000 1.069 55 N CA 0.743 53.790 53.050 -0.004 0.000 0.947 55 N CB 1.160 39.623 38.487 -0.040 0.000 1.111 55 N HN 1.175 nan 8.380 nan 0.000 0.497 56 A N 5.380 128.222 122.820 0.038 0.000 1.940 56 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 56 A C 2.037 179.661 177.584 0.067 0.000 1.176 56 A CA 1.043 53.106 52.037 0.043 0.000 0.631 56 A CB -0.147 18.882 19.000 0.049 0.000 0.814 56 A HN 0.659 nan 8.150 nan 0.000 0.446 57 R N -0.239 120.334 120.500 0.123 0.000 2.159 57 R HA -0.113 4.226 4.340 -0.000 0.000 0.237 57 R C 1.641 178.044 176.300 0.172 0.000 1.131 57 R CA 1.455 57.687 56.100 0.219 0.000 0.982 57 R CB -0.512 29.988 30.300 0.334 0.000 0.868 57 R HN 0.742 nan 8.270 nan 0.000 0.453 58 Q N 0.289 120.126 119.800 0.061 0.000 2.360 58 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 58 Q C -0.057 175.957 176.000 0.023 0.000 0.915 58 Q CA -0.278 55.489 55.803 -0.060 0.000 0.943 58 Q CB 0.139 28.664 28.738 -0.354 0.000 1.064 58 Q HN 0.075 nan 8.270 nan 0.000 0.511 59 N N 1.169 119.867 118.700 -0.003 0.000 2.415 59 N HA 0.028 4.768 4.740 -0.000 0.000 0.250 59 N C -0.172 175.299 175.510 -0.066 0.000 1.127 59 N CA 0.182 53.228 53.050 -0.006 0.000 0.945 59 N CB 0.389 38.873 38.487 -0.005 0.000 1.196 59 N HN 0.176 nan 8.380 nan 0.000 0.499 60 L N 2.298 123.481 121.223 -0.067 0.000 2.685 60 L HA 0.276 4.615 4.340 -0.000 0.000 0.233 60 L C 1.561 178.366 176.870 -0.110 0.000 1.173 60 L CA -0.083 54.648 54.840 -0.181 0.000 0.961 60 L CB -0.041 41.868 42.059 -0.249 0.000 1.217 60 L HN 0.559 nan 8.230 nan 0.000 0.478 61 A N -1.052 121.745 122.820 -0.038 0.000 1.973 61 A HA 0.041 4.361 4.320 -0.000 0.000 0.210 61 A C 1.376 178.993 177.584 0.055 0.000 1.200 61 A CA 0.452 52.500 52.037 0.019 0.000 0.707 61 A CB -0.013 19.013 19.000 0.044 0.000 0.862 61 A HN 0.254 nan 8.150 nan 0.000 0.461 62 T N -1.713 112.858 114.554 0.028 0.000 2.856 62 T HA 0.303 4.653 4.350 -0.000 0.000 0.306 62 T C 0.302 175.053 174.700 0.084 0.000 1.062 62 T CA 0.092 62.244 62.100 0.087 0.000 1.083 62 T CB 0.070 68.949 68.868 0.019 0.000 0.984 62 T HN 0.183 nan 8.240 nan 0.000 0.542 63 F N 1.049 120.945 119.950 -0.091 0.000 2.717 63 F HA 0.319 4.846 4.527 -0.000 0.000 0.297 63 F C 1.566 177.250 175.800 -0.193 0.000 1.113 63 F CA -0.566 57.355 58.000 -0.131 0.000 1.319 63 F CB -0.010 38.958 39.000 -0.054 0.000 1.097 63 F HN 0.471 nan 8.300 nan 0.000 0.595 64 C N 1.620 120.960 119.300 0.067 0.000 2.604 64 C HA 0.230 4.690 4.460 -0.000 0.000 0.396 64 C C 0.692 175.660 174.990 -0.038 0.000 1.282 64 C CA -1.220 57.803 59.018 0.009 0.000 2.292 64 C CB 0.026 27.730 27.740 -0.061 0.000 2.633 64 C HN 0.190 nan 8.230 nan 0.000 0.620 65 Q N 1.496 121.286 119.800 -0.017 0.000 2.304 65 Q HA 0.053 4.393 4.340 -0.000 0.000 0.301 65 Q C 1.070 177.085 176.000 0.026 0.000 1.063 65 Q CA 0.879 56.689 55.803 0.011 0.000 0.947 65 Q CB 0.415 29.175 28.738 0.037 0.000 1.201 65 Q HN 0.993 nan 8.270 nan 0.000 0.389 66 T N -1.209 113.398 114.554 0.089 0.000 3.231 66 T HA 0.392 4.742 4.350 -0.000 0.000 0.292 66 T C -0.334 174.511 174.700 0.243 0.000 1.001 66 T CA -0.586 61.583 62.100 0.115 0.000 0.920 66 T CB 0.009 68.935 68.868 0.097 0.000 1.140 66 T HN 0.532 nan 8.240 nan 0.000 0.525 67 W N 1.102 122.420 121.300 0.030 0.000 3.363 67 W HA 0.585 5.245 4.660 -0.000 0.000 0.306 67 W C -2.340 174.204 176.519 0.040 0.000 1.253 67 W CA -0.561 56.819 57.345 0.060 0.000 1.195 67 W CB 1.474 30.982 29.460 0.079 0.000 1.366 67 W HN -0.042 nan 8.180 nan 0.000 0.551 68 D N 3.356 123.128 120.400 -1.046 0.000 2.756 68 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 68 D C -0.803 174.616 176.300 -1.469 0.000 1.186 68 D CA -0.331 53.109 54.000 -0.932 0.000 0.845 68 D CB 2.202 42.626 40.800 -0.627 0.000 1.610 68 D HN 0.439 nan 8.370 nan 0.000 0.465 69 D N -0.073 119.805 120.400 -0.871 0.000 2.358 69 D HA -0.028 4.612 4.640 -0.000 0.000 0.244 69 D C 0.919 177.115 176.300 -0.174 0.000 1.163 69 D CA -0.179 53.549 54.000 -0.454 0.000 0.945 69 D CB 1.267 42.111 40.800 0.075 0.000 1.152 69 D HN 0.445 nan 8.370 nan 0.000 0.451 70 E N 0.084 120.255 120.200 -0.050 0.000 2.114 70 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 70 E C 1.381 177.944 176.600 -0.061 0.000 1.008 70 E CA 1.438 57.819 56.400 -0.032 0.000 0.810 70 E CB 0.038 29.732 29.700 -0.010 0.000 0.739 70 E HN 0.401 nan 8.360 nan 0.000 0.456 71 N N -0.100 118.529 118.700 -0.119 0.000 2.166 71 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 71 N C 1.869 177.144 175.510 -0.391 0.000 1.019 71 N CA 1.101 53.978 53.050 -0.289 0.000 0.856 71 N CB -0.176 38.029 38.487 -0.470 0.000 0.993 71 N HN 0.085 nan 8.380 nan 0.000 0.426 72 V N 1.528 121.233 119.914 -0.348 0.000 2.343 72 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 72 V C 2.189 178.135 176.094 -0.247 0.000 1.051 72 V CA 1.382 63.500 62.300 -0.304 0.000 1.036 72 V CB -0.623 31.058 31.823 -0.236 0.000 0.654 72 V HN 0.398 nan 8.190 nan 0.000 0.451 73 H N 0.793 119.730 119.070 -0.221 0.000 2.319 73 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 73 H C 2.410 177.652 175.328 -0.144 0.000 1.092 73 H CA 2.003 57.946 56.048 -0.175 0.000 1.302 73 H CB 0.022 29.680 29.762 -0.173 0.000 1.373 73 H HN 0.465 nan 8.280 nan 0.000 0.497 74 K N 0.380 120.764 120.400 -0.026 0.000 2.026 74 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 74 K C 2.473 179.024 176.600 -0.082 0.000 1.048 74 K CA 0.788 57.041 56.287 -0.056 0.000 0.929 74 K CB -0.093 32.363 32.500 -0.075 0.000 0.713 74 K HN 0.143 nan 8.250 nan 0.000 0.439 75 L N 0.546 121.689 121.223 -0.133 0.000 2.079 75 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 75 L C 2.569 179.385 176.870 -0.090 0.000 1.081 75 L CA 0.971 55.741 54.840 -0.116 0.000 0.752 75 L CB -0.390 41.574 42.059 -0.158 0.000 0.896 75 L HN 0.324 nan 8.230 nan 0.000 0.433 76 M N -0.650 118.885 119.600 -0.108 0.000 2.132 76 M HA -0.227 4.253 4.480 -0.000 0.000 0.263 76 M C 1.869 178.128 176.300 -0.069 0.000 1.065 76 M CA 1.691 56.932 55.300 -0.098 0.000 1.122 76 M CB -1.097 31.420 32.600 -0.139 0.000 1.365 76 M HN 0.194 nan 8.290 nan 0.000 0.411 77 D N 0.240 120.608 120.400 -0.052 0.000 2.178 77 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 77 D C 2.132 178.410 176.300 -0.036 0.000 0.974 77 D CA 0.751 54.730 54.000 -0.035 0.000 0.841 77 D CB 0.100 40.887 40.800 -0.022 0.000 0.953 77 D HN 0.247 nan 8.370 nan 0.000 0.478 78 L N -0.444 120.756 121.223 -0.039 0.000 2.217 78 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 78 L C 1.268 178.118 176.870 -0.033 0.000 1.107 78 L CA 0.833 55.654 54.840 -0.030 0.000 0.783 78 L CB 0.094 42.135 42.059 -0.030 0.000 0.919 78 L HN -0.012 nan 8.230 nan 0.000 0.442 79 S N -0.829 114.842 115.700 -0.047 0.000 2.575 79 S HA 0.129 4.599 4.470 -0.000 0.000 0.237 79 S C 1.442 175.996 174.600 -0.077 0.000 0.975 79 S CA -0.308 57.854 58.200 -0.064 0.000 0.960 79 S CB 0.299 63.463 63.200 -0.061 0.000 0.822 79 S HN 0.313 nan 8.310 nan 0.000 0.472 80 I N 1.723 122.257 120.570 -0.060 0.000 2.530 80 I HA -0.159 4.011 4.170 -0.000 0.000 0.257 80 I C 0.576 176.655 176.117 -0.064 0.000 1.179 80 I CA 1.201 62.468 61.300 -0.056 0.000 1.440 80 I CB 0.138 38.114 38.000 -0.039 0.000 1.087 80 I HN 0.194 nan 8.210 nan 0.000 0.440 81 N N 0.833 119.487 118.700 -0.077 0.000 2.197 81 N HA 0.146 4.886 4.740 -0.000 0.000 0.228 81 N C -0.545 174.834 175.510 -0.218 0.000 1.212 81 N CA -0.007 52.990 53.050 -0.088 0.000 0.883 81 N CB 0.515 38.987 38.487 -0.026 0.000 1.107 81 N HN 0.284 nan 8.380 nan 0.000 0.519 82 K N 1.576 121.788 120.400 -0.313 0.000 2.316 82 K HA 0.156 4.476 4.320 -0.000 0.000 0.289 82 K C -0.140 176.108 176.600 -0.586 0.000 1.070 82 K CA -0.367 55.507 56.287 -0.688 0.000 0.928 82 K CB 0.755 33.004 32.500 -0.417 0.000 1.039 82 K HN -0.115 nan 8.250 nan 0.000 0.480 83 N N 3.169 121.369 118.700 -0.833 0.000 2.439 83 N HA -0.033 4.707 4.740 -0.000 0.000 0.243 83 N C 0.453 175.888 175.510 -0.126 0.000 1.088 83 N CA -0.278 52.610 53.050 -0.270 0.000 0.940 83 N CB 0.272 38.736 38.487 -0.039 0.000 1.180 83 N HN 0.667 nan 8.380 nan 0.000 0.505 84 W N 4.947 126.117 121.300 -0.217 0.000 2.321 84 W HA -0.211 4.449 4.660 -0.000 0.000 0.285 84 W C 1.420 177.841 176.519 -0.164 0.000 1.213 84 W CA 0.799 58.045 57.345 -0.166 0.000 1.205 84 W CB -0.016 29.349 29.460 -0.158 0.000 1.134 84 W HN 0.615 nan 8.180 nan 0.000 0.549 85 I N 0.552 120.980 120.570 -0.235 0.000 2.716 85 I HA -0.084 4.086 4.170 -0.000 0.000 0.259 85 I C 0.579 176.412 176.117 -0.474 0.000 1.172 85 I CA 1.104 62.066 61.300 -0.563 0.000 1.478 85 I CB -0.473 37.074 38.000 -0.755 0.000 1.104 85 I HN -0.228 nan 8.210 nan 0.000 0.439 86 D N 2.172 122.442 120.400 -0.217 0.000 2.671 86 D HA -0.003 4.637 4.640 -0.000 0.000 0.228 86 D C 1.300 177.563 176.300 -0.061 0.000 1.102 86 D CA -0.023 53.931 54.000 -0.076 0.000 1.044 86 D CB 0.274 41.136 40.800 0.104 0.000 1.113 86 D HN 0.212 nan 8.370 nan 0.000 0.480 87 K N 0.773 121.051 120.400 -0.204 0.000 2.089 87 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 87 K C 1.765 178.399 176.600 0.057 0.000 1.048 87 K CA 1.116 57.259 56.287 -0.241 0.000 0.926 87 K CB -0.029 32.183 32.500 -0.481 0.000 0.714 87 K HN 0.266 nan 8.250 nan 0.000 0.448 88 E N 1.064 121.327 120.200 0.105 0.000 2.208 88 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 88 E C 1.501 178.106 176.600 0.008 0.000 0.988 88 E CA 1.047 57.533 56.400 0.144 0.000 0.828 88 E CB 0.171 29.921 29.700 0.083 0.000 0.763 88 E HN 0.404 nan 8.360 nan 0.000 0.478 89 E N -1.369 118.776 120.200 -0.091 0.000 2.170 89 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 89 E C -0.223 176.078 176.600 -0.498 0.000 0.981 89 E CA 0.497 56.700 56.400 -0.327 0.000 0.830 89 E CB 0.244 29.663 29.700 -0.467 0.000 0.775 89 E HN 0.277 nan 8.360 nan 0.000 0.470 90 Y N 0.169 120.470 120.300 0.000 0.000 2.562 90 Y HA 0.202 4.752 4.550 -0.000 0.000 0.363 90 Y C -1.854 174.061 175.900 0.025 0.000 0.991 90 Y CA -2.192 55.910 58.100 0.003 0.000 1.121 90 Y CB 0.789 39.237 38.460 -0.019 0.000 1.159 90 Y HN 0.039 nan 8.280 nan 0.000 0.651 91 P HA -0.256 nan 4.420 nan 0.000 0.215 91 P C 1.415 178.838 177.300 0.205 0.000 1.153 91 P CA 1.509 64.766 63.100 0.262 0.000 0.853 91 P CB 0.711 32.509 31.700 0.162 0.000 0.788 92 Q N 0.295 120.174 119.800 0.131 0.000 2.123 92 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 92 Q C 2.425 178.466 176.000 0.068 0.000 0.966 92 Q CA 1.633 57.492 55.803 0.093 0.000 0.845 92 Q CB -1.040 27.741 28.738 0.073 0.000 0.907 92 Q HN 0.120 nan 8.270 nan 0.000 0.439 93 S N 0.047 115.795 115.700 0.080 0.000 2.356 93 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 93 S C 1.892 176.502 174.600 0.016 0.000 1.032 93 S CA 1.010 59.241 58.200 0.052 0.000 1.005 93 S CB -0.583 62.652 63.200 0.057 0.000 0.867 93 S HN 0.595 nan 8.310 nan 0.000 0.449 94 A N 1.709 124.515 122.820 -0.023 0.000 1.883 94 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 94 A C 2.368 179.911 177.584 -0.068 0.000 1.186 94 A CA 1.938 53.881 52.037 -0.158 0.000 0.624 94 A CB -1.223 17.575 19.000 -0.337 0.000 0.822 94 A HN 0.531 nan 8.150 nan 0.000 0.444 95 A N -0.074 122.771 122.820 0.042 0.000 1.865 95 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 95 A C 2.150 179.718 177.584 -0.028 0.000 1.191 95 A CA 1.622 53.694 52.037 0.059 0.000 0.623 95 A CB -0.687 18.365 19.000 0.087 0.000 0.826 95 A HN 0.507 nan 8.150 nan 0.000 0.444 96 I N -0.255 120.263 120.570 -0.087 0.000 2.208 96 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 96 I C 2.358 178.396 176.117 -0.131 0.000 1.097 96 I CA 1.779 62.921 61.300 -0.263 0.000 1.363 96 I CB -0.429 37.414 38.000 -0.261 0.000 1.051 96 I HN 0.378 nan 8.210 nan 0.000 0.413 97 D N 1.256 121.681 120.400 0.041 0.000 2.106 97 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 97 D C 2.279 178.708 176.300 0.215 0.000 0.997 97 D CA 1.578 55.713 54.000 0.225 0.000 0.834 97 D CB -0.205 40.762 40.800 0.279 0.000 0.956 97 D HN 0.252 nan 8.370 nan 0.000 0.448 98 L N -0.037 121.254 121.223 0.114 0.000 2.042 98 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 98 L C 2.851 179.773 176.870 0.088 0.000 1.076 98 L CA 1.219 56.126 54.840 0.111 0.000 0.749 98 L CB -0.365 41.737 42.059 0.072 0.000 0.893 98 L HN 0.046 nan 8.230 nan 0.000 0.432 99 R N -1.040 119.477 120.500 0.029 0.000 2.105 99 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 99 R C 2.399 178.756 176.300 0.095 0.000 1.135 99 R CA 1.655 57.777 56.100 0.036 0.000 0.967 99 R CB -0.707 29.555 30.300 -0.063 0.000 0.861 99 R HN 0.427 nan 8.270 nan 0.000 0.442 100 C N -0.072 119.283 119.300 0.091 0.000 2.432 100 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 100 C C 2.738 177.648 174.990 -0.134 0.000 1.249 100 C CA 0.427 59.471 59.018 0.043 0.000 1.725 100 C CB -0.636 27.093 27.740 -0.019 0.000 2.028 100 C HN 0.300 nan 8.230 nan 0.000 0.477 101 V N 2.016 121.939 119.914 0.015 0.000 2.252 101 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 101 V C 2.244 178.330 176.094 -0.014 0.000 1.056 101 V CA 2.319 64.653 62.300 0.056 0.000 1.022 101 V CB -0.766 31.198 31.823 0.235 0.000 0.641 101 V HN 0.532 nan 8.190 nan 0.000 0.445 102 N N -0.062 118.652 118.700 0.024 0.000 2.036 102 N HA -0.205 4.535 4.740 -0.000 0.000 0.195 102 N C 1.808 177.280 175.510 -0.064 0.000 1.037 102 N CA 2.072 55.124 53.050 0.003 0.000 0.855 102 N CB -0.457 38.049 38.487 0.031 0.000 1.033 102 N HN 0.459 nan 8.380 nan 0.000 0.423 103 M N 0.101 119.662 119.600 -0.065 0.000 2.065 103 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 103 M C 2.198 178.297 176.300 -0.336 0.000 1.069 103 M CA 1.255 56.465 55.300 -0.151 0.000 1.110 103 M CB -0.567 31.994 32.600 -0.064 0.000 1.328 103 M HN -0.080 nan 8.290 nan 0.000 0.405 104 V N 0.808 120.467 119.914 -0.425 0.000 2.255 104 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 104 V C 2.740 178.408 176.094 -0.710 0.000 1.051 104 V CA 2.168 64.016 62.300 -0.753 0.000 1.018 104 V CB -1.324 29.970 31.823 -0.881 0.000 0.641 104 V HN 0.565 nan 8.190 nan 0.000 0.445 105 A N -0.021 122.606 122.820 -0.321 0.000 1.948 105 A HA -0.356 3.964 4.320 -0.000 0.000 0.220 105 A C 2.023 179.577 177.584 -0.049 0.000 1.177 105 A CA 2.502 54.516 52.037 -0.038 0.000 0.636 105 A CB -0.782 18.240 19.000 0.036 0.000 0.815 105 A HN 0.669 nan 8.150 nan 0.000 0.449 106 D N -0.765 119.545 120.400 -0.150 0.000 2.084 106 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 106 D C 1.757 177.902 176.300 -0.258 0.000 0.990 106 D CA 1.353 55.262 54.000 -0.151 0.000 0.826 106 D CB -0.258 40.455 40.800 -0.144 0.000 0.971 106 D HN 0.207 nan 8.370 nan 0.000 0.453 107 L N -0.190 120.811 121.223 -0.369 0.000 2.137 107 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 107 L C 0.970 177.649 176.870 -0.319 0.000 1.085 107 L CA 1.299 55.879 54.840 -0.432 0.000 0.760 107 L CB -0.453 41.265 42.059 -0.568 0.000 0.893 107 L HN 0.315 nan 8.230 nan 0.000 0.434 108 W N -0.222 120.870 121.300 -0.347 0.000 3.305 108 W HA 0.247 4.907 4.660 -0.000 0.000 0.392 108 W C 0.502 176.899 176.519 -0.203 0.000 1.121 108 W CA -0.377 56.725 57.345 -0.404 0.000 1.909 108 W CB -1.690 27.525 29.460 -0.409 0.000 1.065 108 W HN 0.412 nan 8.180 nan 0.000 0.714 109 H N -0.951 118.160 119.070 0.067 0.000 2.713 109 H HA -0.105 4.451 4.556 -0.000 0.000 0.311 109 H C 0.895 176.332 175.328 0.182 0.000 1.175 109 H CA 0.445 56.523 56.048 0.050 0.000 1.143 109 H CB -1.320 28.401 29.762 -0.069 0.000 1.434 109 H HN 0.117 nan 8.280 nan 0.000 0.418 110 A N 0.847 123.836 122.820 0.282 0.000 2.425 110 A HA 0.431 4.751 4.320 -0.000 0.000 0.249 110 A C -1.772 175.809 177.584 -0.005 0.000 1.084 110 A CA -1.231 50.849 52.037 0.070 0.000 0.781 110 A CB 0.336 19.329 19.000 -0.011 0.000 1.019 110 A HN 0.142 nan 8.150 nan 0.000 0.490 111 P HA 0.233 nan 4.420 nan 0.000 0.262 111 P C -0.043 177.240 177.300 -0.029 0.000 1.199 111 P CA 0.440 63.519 63.100 -0.035 0.000 0.763 111 P CB 0.584 32.251 31.700 -0.055 0.000 0.790 112 A N 6.574 129.390 122.820 -0.007 0.000 2.567 112 A HA 0.203 4.523 4.320 -0.000 0.000 0.240 112 A C -1.472 176.109 177.584 -0.005 0.000 1.053 112 A CA -0.561 51.474 52.037 -0.004 0.000 0.755 112 A CB -1.020 17.982 19.000 0.003 0.000 0.978 112 A HN 0.435 nan 8.150 nan 0.000 0.507 113 P HA 0.208 nan 4.420 nan 0.000 0.278 113 P C 0.216 177.521 177.300 0.008 0.000 1.238 113 P CA -0.495 62.607 63.100 0.004 0.000 0.794 113 P CB 1.385 33.093 31.700 0.014 0.000 0.955 114 K N 2.307 122.711 120.400 0.007 0.000 2.103 114 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 114 K C 1.330 177.938 176.600 0.012 0.000 1.052 114 K CA 1.515 57.807 56.287 0.008 0.000 0.945 114 K CB -0.155 32.349 32.500 0.005 0.000 0.722 114 K HN 0.488 nan 8.250 nan 0.000 0.443 115 N N -0.516 118.193 118.700 0.015 0.000 2.521 115 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 115 N C 0.970 176.496 175.510 0.026 0.000 1.146 115 N CA 1.036 54.097 53.050 0.020 0.000 0.893 115 N CB 0.205 38.705 38.487 0.021 0.000 0.975 115 N HN 0.322 nan 8.380 nan 0.000 0.451 116 G N -1.102 107.713 108.800 0.025 0.000 2.205 116 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 116 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 116 G C -0.102 174.820 174.900 0.037 0.000 0.980 116 G CA 0.520 45.638 45.100 0.029 0.000 0.632 116 G HN 0.682 nan 8.290 nan 0.000 0.533 117 Q N 0.723 120.548 119.800 0.042 0.000 2.363 117 Q HA 0.777 5.117 4.340 -0.000 0.000 0.265 117 Q C 0.373 176.409 176.000 0.061 0.000 1.032 117 Q CA 0.445 56.281 55.803 0.056 0.000 0.746 117 Q CB 0.984 29.760 28.738 0.065 0.000 1.237 117 Q HN 1.156 nan 8.270 nan 0.000 0.475 118 A N 2.640 125.498 122.820 0.064 0.000 2.504 118 A HA 0.363 4.683 4.320 -0.000 0.000 0.242 118 A C -0.458 177.198 177.584 0.121 0.000 1.100 118 A CA -0.209 51.872 52.037 0.073 0.000 0.786 118 A CB 0.434 19.475 19.000 0.069 0.000 1.050 118 A HN 0.583 nan 8.150 nan 0.000 0.512 119 V N 1.177 121.184 119.914 0.154 0.000 2.347 119 V HA 0.682 4.802 4.120 -0.000 0.000 0.280 119 V C 0.753 177.103 176.094 0.426 0.000 1.021 119 V CA 0.852 63.294 62.300 0.236 0.000 0.847 119 V CB 0.378 32.321 31.823 0.199 0.000 0.990 119 V HN 1.581 nan 8.190 nan 0.000 0.444 120 G N 3.161 112.251 108.800 0.483 0.000 2.325 120 G HA2 0.589 4.549 3.960 -0.000 0.000 0.295 120 G HA3 0.589 4.549 3.960 -0.000 0.000 0.295 120 G C -0.973 174.275 174.900 0.580 0.000 1.274 120 G CA 0.224 45.721 45.100 0.663 0.000 0.857 120 G HN 0.762 nan 8.290 nan 0.000 0.499 121 T N -0.713 114.194 114.554 0.588 0.000 2.830 121 T HA 0.503 4.853 4.350 -0.000 0.000 0.322 121 T C -1.360 173.581 174.700 0.401 0.000 1.501 121 T CA -0.579 61.823 62.100 0.503 0.000 1.036 121 T CB 1.745 70.897 68.868 0.475 0.000 1.379 121 T HN 0.829 nan 8.240 nan 0.000 0.493 122 N N 0.965 119.812 118.700 0.244 0.000 2.495 122 N HA 0.638 5.378 4.740 -0.000 0.000 0.280 122 N C -0.549 174.674 175.510 -0.477 0.000 1.168 122 N CA 0.028 52.834 53.050 -0.408 0.000 0.978 122 N CB 1.695 39.809 38.487 -0.620 0.000 1.191 122 N HN 0.927 nan 8.380 nan 0.000 0.497 123 T N -0.954 113.197 114.554 -0.671 0.000 2.787 123 T HA 0.354 4.704 4.350 -0.000 0.000 0.297 123 T C 1.386 175.771 174.700 -0.526 0.000 1.221 123 T CA -0.756 61.028 62.100 -0.525 0.000 1.006 123 T CB 0.698 69.396 68.868 -0.284 0.000 1.328 123 T HN 0.238 nan 8.240 nan 0.000 0.509 124 I N 0.927 121.274 120.570 -0.372 0.000 2.361 124 I HA 0.195 4.365 4.170 -0.000 0.000 0.251 124 I C 1.411 177.455 176.117 -0.122 0.000 1.133 124 I CA 1.932 63.081 61.300 -0.250 0.000 1.413 124 I CB -1.143 36.761 38.000 -0.160 0.000 1.073 124 I HN 1.033 nan 8.210 nan 0.000 0.424 125 G N -2.040 106.682 108.800 -0.130 0.000 2.488 125 G HA2 0.211 4.171 3.960 -0.000 0.000 0.301 125 G HA3 0.211 4.171 3.960 -0.000 0.000 0.301 125 G C 0.219 175.060 174.900 -0.098 0.000 1.339 125 G CA 0.196 45.253 45.100 -0.072 0.000 0.803 125 G HN -0.157 nan 8.290 nan 0.000 0.482 126 S N -0.730 114.938 115.700 -0.053 0.000 2.382 126 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 126 S C 2.635 177.198 174.600 -0.062 0.000 1.027 126 S CA 2.187 60.381 58.200 -0.011 0.000 0.991 126 S CB -0.353 62.874 63.200 0.046 0.000 0.823 126 S HN 0.776 nan 8.310 nan 0.000 0.469 127 S N 1.221 116.880 115.700 -0.068 0.000 2.377 127 S HA -0.251 4.219 4.470 -0.000 0.000 0.224 127 S C 1.923 176.438 174.600 -0.142 0.000 1.042 127 S CA 2.148 60.273 58.200 -0.125 0.000 1.086 127 S CB -0.670 62.495 63.200 -0.059 0.000 0.995 127 S HN 0.697 nan 8.310 nan 0.000 0.428 128 E N 0.402 120.548 120.200 -0.089 0.000 2.097 128 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 128 E C 2.132 178.647 176.600 -0.142 0.000 1.000 128 E CA 1.218 57.563 56.400 -0.091 0.000 0.804 128 E CB -0.541 29.103 29.700 -0.093 0.000 0.740 128 E HN 0.610 nan 8.360 nan 0.000 0.454 129 A N 0.596 123.342 122.820 -0.124 0.000 1.883 129 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 129 A C 2.530 180.020 177.584 -0.157 0.000 1.186 129 A CA 1.614 53.596 52.037 -0.091 0.000 0.624 129 A CB -1.072 17.927 19.000 -0.001 0.000 0.822 129 A HN 0.566 nan 8.150 nan 0.000 0.444 130 C N -0.547 118.610 119.300 -0.239 0.000 2.429 130 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 130 C C 2.963 177.524 174.990 -0.716 0.000 1.262 130 C CA 1.361 60.082 59.018 -0.496 0.000 1.733 130 C CB -1.085 26.126 27.740 -0.882 0.000 2.010 130 C HN 0.611 nan 8.230 nan 0.000 0.483 131 M N 0.296 119.570 119.600 -0.542 0.000 2.159 131 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 131 M C 2.113 178.165 176.300 -0.412 0.000 1.063 131 M CA 1.678 56.686 55.300 -0.487 0.000 1.110 131 M CB -1.166 31.358 32.600 -0.127 0.000 1.374 131 M HN 0.402 nan 8.290 nan 0.000 0.411 132 L N -0.199 120.863 121.223 -0.267 0.000 2.046 132 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 132 L C 2.771 179.762 176.870 0.201 0.000 1.077 132 L CA 1.477 56.242 54.840 -0.125 0.000 0.747 132 L CB -1.409 40.513 42.059 -0.228 0.000 0.896 132 L HN 0.382 nan 8.230 nan 0.000 0.432 133 G N -0.404 108.362 108.800 -0.056 0.000 2.422 133 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 133 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 133 G C 1.544 176.347 174.900 -0.161 0.000 1.140 133 G CA 0.720 45.735 45.100 -0.142 0.000 0.775 133 G HN 0.484 nan 8.290 nan 0.000 0.545 134 G N 1.042 109.585 108.800 -0.428 0.000 2.453 134 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 134 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 134 G C 1.889 176.784 174.900 -0.008 0.000 1.201 134 G CA 1.019 45.754 45.100 -0.608 0.000 0.784 134 G HN 0.384 nan 8.290 nan 0.000 0.545 135 M N 0.968 120.579 119.600 0.018 0.000 2.144 135 M HA -0.118 4.362 4.480 -0.000 0.000 0.260 135 M C 3.040 179.560 176.300 0.367 0.000 1.067 135 M CA 1.447 56.874 55.300 0.213 0.000 1.095 135 M CB -0.473 32.191 32.600 0.107 0.000 1.365 135 M HN 0.340 nan 8.290 nan 0.000 0.406 136 A N 0.601 123.619 122.820 0.331 0.000 1.873 136 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 136 A C 2.169 179.970 177.584 0.363 0.000 1.193 136 A CA 1.944 54.186 52.037 0.341 0.000 0.629 136 A CB -0.672 18.673 19.000 0.574 0.000 0.826 136 A HN 0.469 nan 8.150 nan 0.000 0.447 137 M N -1.086 118.706 119.600 0.321 0.000 2.067 137 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 137 M C 2.366 178.879 176.300 0.355 0.000 1.069 137 M CA 2.230 57.707 55.300 0.296 0.000 1.117 137 M CB -0.400 32.322 32.600 0.204 0.000 1.334 137 M HN 0.517 nan 8.290 nan 0.000 0.407 138 K N -0.094 120.534 120.400 0.380 0.000 2.044 138 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 138 K C 2.024 178.893 176.600 0.448 0.000 1.049 138 K CA 1.659 58.186 56.287 0.400 0.000 0.927 138 K CB -0.222 32.513 32.500 0.391 0.000 0.713 138 K HN 0.443 nan 8.250 nan 0.000 0.443 139 W N 1.411 122.854 121.300 0.239 0.000 2.355 139 W HA -0.154 4.506 4.660 -0.000 0.000 0.309 139 W C 2.155 178.773 176.519 0.164 0.000 1.206 139 W CA 1.257 58.708 57.345 0.177 0.000 1.284 139 W CB -0.157 29.359 29.460 0.093 0.000 1.145 139 W HN 0.209 nan 8.180 nan 0.000 0.502 140 R N -1.020 119.714 120.500 0.390 0.000 2.083 140 R HA -0.237 4.103 4.340 -0.000 0.000 0.237 140 R C 1.986 178.434 176.300 0.247 0.000 1.137 140 R CA 2.134 58.396 56.100 0.270 0.000 0.951 140 R CB -1.308 29.145 30.300 0.255 0.000 0.851 140 R HN 0.225 nan 8.270 nan 0.000 0.434 141 W N 1.962 123.326 121.300 0.106 0.000 2.332 141 W HA -0.198 4.461 4.660 -0.000 0.000 0.321 141 W C 2.387 178.920 176.519 0.023 0.000 1.219 141 W CA 1.407 58.793 57.345 0.068 0.000 1.277 141 W CB -0.359 29.148 29.460 0.080 0.000 1.161 141 W HN -0.091 nan 8.180 nan 0.000 0.476 142 R N 0.771 121.316 120.500 0.075 0.000 2.112 142 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 142 R C 2.232 178.348 176.300 -0.306 0.000 1.137 142 R CA 2.650 58.581 56.100 -0.282 0.000 0.944 142 R CB -0.583 29.603 30.300 -0.190 0.000 0.857 142 R HN 0.226 nan 8.270 nan 0.000 0.435 143 K N -0.210 120.102 120.400 -0.147 0.000 2.009 143 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 143 K C 2.368 178.888 176.600 -0.134 0.000 1.049 143 K CA 1.864 58.089 56.287 -0.103 0.000 0.929 143 K CB -0.254 32.244 32.500 -0.003 0.000 0.714 143 K HN 0.192 nan 8.250 nan 0.000 0.440 144 R N 0.186 120.611 120.500 -0.125 0.000 2.112 144 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 144 R C 2.448 178.623 176.300 -0.209 0.000 1.137 144 R CA 1.926 57.949 56.100 -0.127 0.000 0.944 144 R CB -0.199 30.051 30.300 -0.083 0.000 0.857 144 R HN 0.189 nan 8.270 nan 0.000 0.435 145 M N 0.341 119.707 119.600 -0.391 0.000 2.117 145 M HA -0.161 4.318 4.480 -0.000 0.000 0.262 145 M C 1.909 178.048 176.300 -0.269 0.000 1.065 145 M CA 1.692 56.748 55.300 -0.406 0.000 1.114 145 M CB -0.946 31.209 32.600 -0.742 0.000 1.361 145 M HN 0.190 nan 8.290 nan 0.000 0.408 146 E N 0.478 120.523 120.200 -0.259 0.000 2.118 146 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 146 E C 2.108 178.637 176.600 -0.117 0.000 0.992 146 E CA 1.364 57.662 56.400 -0.169 0.000 0.804 146 E CB -0.192 29.419 29.700 -0.149 0.000 0.741 146 E HN 0.536 nan 8.360 nan 0.000 0.458 147 A N 1.456 124.210 122.820 -0.111 0.000 1.877 147 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 147 A C 2.272 179.815 177.584 -0.068 0.000 1.186 147 A CA 1.534 53.527 52.037 -0.074 0.000 0.620 147 A CB -0.429 18.534 19.000 -0.062 0.000 0.822 147 A HN 0.267 nan 8.150 nan 0.000 0.443 148 A N -0.986 121.784 122.820 -0.082 0.000 2.276 148 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 148 A C 1.496 179.040 177.584 -0.067 0.000 1.230 148 A CA 0.891 52.888 52.037 -0.066 0.000 0.844 148 A CB -1.409 17.552 19.000 -0.065 0.000 0.860 148 A HN 1.915 nan 8.150 nan 0.000 0.486 149 G N 0.260 109.015 108.800 -0.077 0.000 2.371 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.299 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.299 149 G C -0.041 174.818 174.900 -0.069 0.000 1.014 149 G CA 0.872 45.931 45.100 -0.068 0.000 1.097 149 G HN 0.638 nan 8.290 nan 0.000 0.512 150 K N -0.252 120.089 120.400 -0.099 0.000 2.350 150 K HA 0.533 4.853 4.320 -0.000 0.000 0.241 150 K C -2.621 173.918 176.600 -0.102 0.000 0.994 150 K CA -2.205 54.031 56.287 -0.085 0.000 0.839 150 K CB 1.933 34.381 32.500 -0.086 0.000 1.244 150 K HN -0.028 nan 8.250 nan 0.000 0.443 151 P HA 0.027 nan 4.420 nan 0.000 0.271 151 P C -0.256 177.020 177.300 -0.040 0.000 1.216 151 P CA -0.034 63.050 63.100 -0.026 0.000 0.776 151 P CB 0.458 32.173 31.700 0.025 0.000 0.881 152 T N -2.806 111.728 114.554 -0.034 0.000 3.355 152 T HA 0.137 4.487 4.350 -0.000 0.000 0.276 152 T C 0.252 175.105 174.700 0.256 0.000 1.003 152 T CA -0.393 61.709 62.100 0.004 0.000 0.943 152 T CB -0.503 68.221 68.868 -0.240 0.000 1.158 152 T HN 0.395 nan 8.240 nan 0.000 0.513 153 D N 0.270 120.797 120.400 0.211 0.000 2.431 153 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 153 D C 0.477 176.868 176.300 0.151 0.000 1.130 153 D CA -0.457 53.638 54.000 0.158 0.000 0.834 153 D CB 0.365 41.218 40.800 0.089 0.000 0.985 153 D HN 0.198 nan 8.370 nan 0.000 0.504 154 K N 1.684 122.209 120.400 0.208 0.000 3.278 154 K HA 0.253 4.572 4.320 -0.000 0.000 0.200 154 K C -2.715 173.905 176.600 0.034 0.000 1.107 154 K CA -1.112 55.243 56.287 0.113 0.000 0.923 154 K CB 1.967 34.532 32.500 0.108 0.000 0.787 154 K HN 0.227 nan 8.250 nan 0.000 0.481 155 P HA 0.061 nan 4.420 nan 0.000 0.275 155 P C -0.719 176.400 177.300 -0.301 0.000 1.227 155 P CA -0.174 62.602 63.100 -0.539 0.000 0.781 155 P CB 0.669 31.885 31.700 -0.807 0.000 0.906 156 N N 1.758 120.265 118.700 -0.321 0.000 2.321 156 N HA 0.627 5.367 4.740 -0.000 0.000 0.290 156 N C -1.721 173.694 175.510 -0.160 0.000 1.212 156 N CA -1.018 51.932 53.050 -0.166 0.000 0.767 156 N CB 1.204 39.629 38.487 -0.103 0.000 1.494 156 N HN 0.241 nan 8.380 nan 0.000 0.479 157 L N 0.762 121.938 121.223 -0.079 0.000 2.381 157 L HA 0.661 5.001 4.340 -0.000 0.000 0.274 157 L C -1.476 175.338 176.870 -0.093 0.000 0.988 157 L CA -0.797 54.004 54.840 -0.066 0.000 0.824 157 L CB 1.898 43.980 42.059 0.039 0.000 1.263 157 L HN 0.547 nan 8.230 nan 0.000 0.410 158 V N 4.146 123.987 119.914 -0.122 0.000 2.481 158 V HA 0.700 4.820 4.120 -0.000 0.000 0.286 158 V C -0.007 175.993 176.094 -0.157 0.000 1.042 158 V CA -0.266 61.959 62.300 -0.125 0.000 0.928 158 V CB 1.062 32.808 31.823 -0.127 0.000 0.986 158 V HN 1.056 nan 8.190 nan 0.000 0.462 159 C N 2.184 121.399 119.300 -0.142 0.000 3.306 159 C HA 0.913 5.373 4.460 -0.000 0.000 0.335 159 C C 0.521 175.457 174.990 -0.091 0.000 1.382 159 C CA -0.121 58.800 59.018 -0.161 0.000 1.254 159 C CB 1.091 28.668 27.740 -0.272 0.000 1.555 159 C HN 1.024 nan 8.230 nan 0.000 0.463 160 G N -0.208 108.559 108.800 -0.057 0.000 2.714 160 G HA2 0.712 4.672 3.960 -0.000 0.000 0.197 160 G HA3 0.712 4.672 3.960 -0.000 0.000 0.197 160 G C -2.317 172.601 174.900 0.030 0.000 1.449 160 G CA -0.642 44.464 45.100 0.010 0.000 1.065 160 G HN 0.829 nan 8.290 nan 0.000 0.575 161 P HA 0.141 nan 4.420 nan 0.000 0.235 161 P C 0.567 178.022 177.300 0.259 0.000 1.765 161 P CA -0.178 62.993 63.100 0.119 0.000 1.034 161 P CB -0.380 31.387 31.700 0.113 0.000 1.984 162 V N -0.638 119.397 119.914 0.201 0.000 3.376 162 V HA 0.153 4.273 4.120 -0.000 0.000 0.303 162 V C 0.725 177.083 176.094 0.439 0.000 1.100 162 V CA -0.546 61.907 62.300 0.256 0.000 1.126 162 V CB 0.124 32.028 31.823 0.134 0.000 1.085 162 V HN 0.257 nan 8.190 nan 0.000 0.480 163 Q N 0.344 120.387 119.800 0.405 0.000 2.306 163 Q HA 0.210 4.550 4.340 -0.000 0.000 0.241 163 Q C 0.816 177.025 176.000 0.349 0.000 0.948 163 Q CA -0.458 55.510 55.803 0.275 0.000 0.886 163 Q CB 1.365 30.166 28.738 0.105 0.000 1.227 163 Q HN 0.838 nan 8.270 nan 0.000 0.457 164 I N 3.484 124.202 120.570 0.247 0.000 2.229 164 I HA -0.392 3.778 4.170 -0.000 0.000 0.250 164 I C 2.291 178.523 176.117 0.190 0.000 1.096 164 I CA 2.014 63.450 61.300 0.226 0.000 1.358 164 I CB -0.487 37.556 38.000 0.072 0.000 1.047 164 I HN 0.878 nan 8.210 nan 0.000 0.422 165 C N -1.191 118.148 119.300 0.065 0.000 2.411 165 C HA -0.190 4.270 4.460 -0.000 0.000 0.279 165 C C 2.478 177.397 174.990 -0.119 0.000 1.288 165 C CA 0.414 59.388 59.018 -0.074 0.000 1.764 165 C CB -2.276 25.339 27.740 -0.208 0.000 1.974 165 C HN 0.686 nan 8.230 nan 0.000 0.498 166 W N 0.556 121.928 121.300 0.121 0.000 2.388 166 W HA 0.041 4.701 4.660 -0.000 0.000 0.294 166 W C 2.754 179.337 176.519 0.106 0.000 1.212 166 W CA 1.616 59.022 57.345 0.102 0.000 1.271 166 W CB -0.645 28.818 29.460 0.006 0.000 1.126 166 W HN 0.442 nan 8.180 nan 0.000 0.535 167 H N -0.207 119.013 119.070 0.251 0.000 2.387 167 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 167 H C 1.985 177.315 175.328 0.003 0.000 1.090 167 H CA 1.819 57.946 56.048 0.131 0.000 1.332 167 H CB -0.165 29.645 29.762 0.080 0.000 1.386 167 H HN 0.042 nan 8.280 nan 0.000 0.516 168 K N -0.223 120.199 120.400 0.037 0.000 2.057 168 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 168 K C 1.904 178.308 176.600 -0.327 0.000 1.049 168 K CA 1.250 57.331 56.287 -0.343 0.000 0.931 168 K CB -0.228 32.087 32.500 -0.309 0.000 0.714 168 K HN 0.188 nan 8.250 nan 0.000 0.440 169 F N 1.973 121.877 119.950 -0.077 0.000 2.069 169 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 169 F C 2.193 178.161 175.800 0.280 0.000 1.113 169 F CA 1.521 59.639 58.000 0.197 0.000 1.214 169 F CB -0.596 38.434 39.000 0.049 0.000 0.978 169 F HN -0.021 nan 8.300 nan 0.000 0.474 170 A N 0.442 123.305 122.820 0.071 0.000 1.917 170 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 170 A C 2.241 179.781 177.584 -0.073 0.000 1.182 170 A CA 2.129 54.135 52.037 -0.051 0.000 0.633 170 A CB -0.875 18.172 19.000 0.078 0.000 0.819 170 A HN 0.474 nan 8.150 nan 0.000 0.448 171 R N -1.218 119.237 120.500 -0.076 0.000 2.062 171 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 171 R C 1.904 178.222 176.300 0.030 0.000 1.136 171 R CA 1.976 58.044 56.100 -0.054 0.000 0.948 171 R CB -0.906 29.321 30.300 -0.121 0.000 0.845 171 R HN 0.523 nan 8.270 nan 0.000 0.430 172 Y N -1.165 119.093 120.300 -0.070 0.000 2.224 172 Y HA -0.152 4.398 4.550 -0.000 0.000 0.289 172 Y C 1.444 177.103 175.900 -0.402 0.000 1.146 172 Y CA 0.307 58.239 58.100 -0.279 0.000 1.182 172 Y CB -0.508 37.685 38.460 -0.444 0.000 0.983 172 Y HN 0.224 nan 8.280 nan 0.000 0.524 173 W N 0.959 122.206 121.300 -0.088 0.000 3.067 173 W HA 0.163 4.823 4.660 -0.000 0.000 0.417 173 W C -0.386 176.043 176.519 -0.150 0.000 1.029 173 W CA -0.177 57.080 57.345 -0.147 0.000 1.992 173 W CB -0.111 29.147 29.460 -0.337 0.000 1.122 173 W HN 0.094 nan 8.180 nan 0.000 0.681 174 D N 1.242 121.660 120.400 0.030 0.000 2.904 174 D HA -0.154 4.486 4.640 -0.000 0.000 0.231 174 D C -0.486 175.812 176.300 -0.003 0.000 1.185 174 D CA 0.805 54.815 54.000 0.017 0.000 0.783 174 D CB -1.253 39.569 40.800 0.037 0.000 0.961 174 D HN -0.127 nan 8.370 nan 0.000 0.409 175 V N 0.958 120.845 119.914 -0.045 0.000 2.656 175 V HA 0.189 4.309 4.120 -0.000 0.000 0.307 175 V C 0.496 176.575 176.094 -0.025 0.000 1.051 175 V CA -0.843 61.426 62.300 -0.052 0.000 0.893 175 V CB 2.381 34.163 31.823 -0.069 0.000 0.999 175 V HN 0.169 nan 8.190 nan 0.000 0.426 176 E N 3.141 123.323 120.200 -0.031 0.000 2.299 176 E HA 0.199 4.549 4.350 -0.000 0.000 0.272 176 E C -1.134 175.458 176.600 -0.014 0.000 1.043 176 E CA -0.533 55.857 56.400 -0.016 0.000 0.895 176 E CB 1.067 30.754 29.700 -0.023 0.000 1.011 176 E HN 0.500 nan 8.360 nan 0.000 0.432 177 L N 6.180 127.402 121.223 -0.001 0.000 2.255 177 L HA 0.247 4.587 4.340 -0.000 0.000 0.289 177 L C -0.355 176.497 176.870 -0.030 0.000 1.046 177 L CA -0.057 54.773 54.840 -0.016 0.000 0.816 177 L CB 0.561 42.599 42.059 -0.035 0.000 1.197 177 L HN 0.434 nan 8.230 nan 0.000 0.427 178 R N 4.392 124.865 120.500 -0.045 0.000 2.391 178 R HA 0.202 4.542 4.340 -0.000 0.000 0.310 178 R C -0.502 175.765 176.300 -0.056 0.000 1.174 178 R CA -0.174 55.900 56.100 -0.044 0.000 1.118 178 R CB 0.407 30.677 30.300 -0.051 0.000 1.134 178 R HN 0.575 nan 8.270 nan 0.000 0.524 179 E N 3.842 124.018 120.200 -0.041 0.000 2.046 179 E HA 0.107 4.457 4.350 -0.000 0.000 0.279 179 E C -0.526 176.057 176.600 -0.027 0.000 0.989 179 E CA -0.920 55.457 56.400 -0.039 0.000 0.798 179 E CB 0.607 30.297 29.700 -0.017 0.000 1.086 179 E HN 0.299 nan 8.360 nan 0.000 0.399 180 I N 8.203 128.751 120.570 -0.037 0.000 2.664 180 I HA 0.018 4.188 4.170 -0.000 0.000 0.284 180 I C -1.786 174.308 176.117 -0.038 0.000 1.154 180 I CA -1.637 59.640 61.300 -0.039 0.000 1.402 180 I CB 0.107 38.081 38.000 -0.043 0.000 1.395 180 I HN 0.489 nan 8.210 nan 0.000 0.545 181 P HA 0.099 nan 4.420 nan 0.000 0.272 181 P C -0.468 176.790 177.300 -0.069 0.000 1.223 181 P CA -0.492 62.582 63.100 -0.045 0.000 0.784 181 P CB 0.700 32.378 31.700 -0.037 0.000 0.923 182 M N 2.463 122.023 119.600 -0.066 0.000 2.233 182 M HA 0.231 4.711 4.480 -0.000 0.000 0.350 182 M C 0.930 177.186 176.300 -0.074 0.000 1.176 182 M CA 0.335 55.589 55.300 -0.076 0.000 1.150 182 M CB 0.563 33.134 32.600 -0.048 0.000 1.530 182 M HN 0.348 nan 8.290 nan 0.000 0.459 183 R N 2.307 122.750 120.500 -0.094 0.000 2.698 183 R HA 0.650 4.990 4.340 -0.000 0.000 0.275 183 R C -3.145 173.121 176.300 -0.058 0.000 1.001 183 R CA -2.161 53.897 56.100 -0.070 0.000 0.896 183 R CB 0.523 30.776 30.300 -0.078 0.000 1.218 183 R HN 0.247 nan 8.270 nan 0.000 0.462 184 P HA -0.058 nan 4.420 nan 0.000 0.259 184 P C 0.654 177.948 177.300 -0.010 0.000 1.163 184 P CA 2.199 65.292 63.100 -0.012 0.000 0.760 184 P CB 0.526 32.221 31.700 -0.008 0.000 0.762 185 G N 2.526 111.335 108.800 0.016 0.000 2.241 185 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 185 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 185 G C 0.213 175.135 174.900 0.037 0.000 0.998 185 G CA 0.187 45.309 45.100 0.037 0.000 0.621 185 G HN 0.631 nan 8.290 nan 0.000 0.519 186 Q N 0.079 119.841 119.800 -0.063 0.000 3.412 186 Q HA 0.536 4.876 4.340 -0.000 0.000 0.219 186 Q C -0.160 175.608 176.000 -0.385 0.000 0.913 186 Q CA -0.515 55.096 55.803 -0.319 0.000 0.722 186 Q CB 0.250 28.724 28.738 -0.440 0.000 1.385 186 Q HN 0.347 nan 8.270 nan 0.000 0.461 187 L N 5.138 126.326 121.223 -0.060 0.000 2.796 187 L HA 0.430 4.770 4.340 -0.000 0.000 0.235 187 L C -0.675 176.331 176.870 0.225 0.000 1.344 187 L CA -0.182 54.695 54.840 0.063 0.000 1.245 187 L CB -1.013 41.146 42.059 0.167 0.000 1.556 187 L HN 0.426 nan 8.230 nan 0.000 0.423 188 F N -2.080 117.904 119.950 0.056 0.000 2.944 188 F HA 0.386 4.913 4.527 -0.000 0.000 0.324 188 F C -0.973 174.852 175.800 0.043 0.000 1.151 188 F CA -1.447 56.589 58.000 0.060 0.000 0.883 188 F CB 1.299 40.350 39.000 0.086 0.000 1.341 188 F HN -0.144 nan 8.300 nan 0.000 0.456 189 M N 3.525 123.297 119.600 0.286 0.000 2.105 189 M HA 0.258 4.738 4.480 -0.000 0.000 0.350 189 M C -1.009 175.464 176.300 0.288 0.000 1.308 189 M CA -0.336 55.053 55.300 0.147 0.000 1.108 189 M CB 0.296 32.952 32.600 0.093 0.000 1.622 189 M HN 0.714 nan 8.290 nan 0.000 0.468 190 D N 5.467 125.942 120.400 0.124 0.000 2.294 190 D HA 0.331 4.971 4.640 -0.000 0.000 0.250 190 D C -2.523 173.840 176.300 0.105 0.000 1.058 190 D CA -1.635 52.481 54.000 0.193 0.000 0.950 190 D CB 0.721 41.569 40.800 0.080 0.000 1.158 190 D HN 0.281 nan 8.370 nan 0.000 0.453 191 P HA -0.206 nan 4.420 nan 0.000 0.213 191 P C 1.524 178.838 177.300 0.024 0.000 1.170 191 P CA 1.773 64.907 63.100 0.057 0.000 0.902 191 P CB 0.143 31.882 31.700 0.065 0.000 0.789 192 K N -0.039 120.379 120.400 0.030 0.000 2.000 192 K HA -0.209 4.111 4.320 -0.000 0.000 0.218 192 K C 2.221 178.818 176.600 -0.004 0.000 1.053 192 K CA 1.824 58.121 56.287 0.016 0.000 0.946 192 K CB -0.334 32.177 32.500 0.018 0.000 0.723 192 K HN -0.135 nan 8.250 nan 0.000 0.446 193 R N 0.182 120.674 120.500 -0.013 0.000 2.159 193 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 193 R C 2.410 178.685 176.300 -0.042 0.000 1.131 193 R CA 1.636 57.719 56.100 -0.028 0.000 0.982 193 R CB -0.286 29.989 30.300 -0.041 0.000 0.868 193 R HN 0.487 nan 8.270 nan 0.000 0.453 194 M N 0.607 120.181 119.600 -0.044 0.000 2.064 194 M HA -0.175 4.305 4.480 -0.000 0.000 0.260 194 M C 1.826 178.047 176.300 -0.133 0.000 1.073 194 M CA 1.746 57.000 55.300 -0.077 0.000 1.124 194 M CB -0.003 32.559 32.600 -0.063 0.000 1.326 194 M HN 0.004 nan 8.290 nan 0.000 0.410 195 I N 1.180 121.667 120.570 -0.140 0.000 2.194 195 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 195 I C 2.031 178.065 176.117 -0.139 0.000 1.093 195 I CA 1.764 62.929 61.300 -0.225 0.000 1.355 195 I CB -1.652 36.295 38.000 -0.090 0.000 1.046 195 I HN 0.483 nan 8.210 nan 0.000 0.413 196 E N 0.611 120.781 120.200 -0.051 0.000 2.401 196 E HA -0.126 4.224 4.350 -0.000 0.000 0.199 196 E C 1.836 178.421 176.600 -0.026 0.000 1.023 196 E CA 0.978 57.372 56.400 -0.010 0.000 0.859 196 E CB -0.033 29.665 29.700 -0.003 0.000 0.780 196 E HN 0.518 nan 8.360 nan 0.000 0.523 197 A N 0.063 122.840 122.820 -0.072 0.000 2.288 197 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 197 A C 0.808 178.337 177.584 -0.092 0.000 1.199 197 A CA -0.294 51.702 52.037 -0.068 0.000 0.891 197 A CB 0.375 19.332 19.000 -0.071 0.000 0.923 197 A HN 0.174 nan 8.150 nan 0.000 0.500 198 C N 1.603 120.797 119.300 -0.176 0.000 2.466 198 C HA 0.636 5.096 4.460 -0.000 0.000 0.379 198 C C 0.055 175.039 174.990 -0.010 0.000 1.251 198 C CA -0.335 58.553 59.018 -0.216 0.000 2.263 198 C CB 0.324 27.703 27.740 -0.601 0.000 2.511 198 C HN 0.761 nan 8.230 nan 0.000 0.573 199 D N -0.602 119.851 120.400 0.088 0.000 2.759 199 D HA 0.204 4.844 4.640 -0.000 0.000 0.321 199 D C 0.423 176.861 176.300 0.230 0.000 1.267 199 D CA -0.700 53.428 54.000 0.212 0.000 0.933 199 D CB 0.203 41.088 40.800 0.141 0.000 1.431 199 D HN 0.596 nan 8.370 nan 0.000 0.504 200 E N -0.658 119.679 120.200 0.228 0.000 2.333 200 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 200 E C 0.521 177.362 176.600 0.401 0.000 1.007 200 E CA 0.672 57.230 56.400 0.264 0.000 0.845 200 E CB -0.442 29.371 29.700 0.189 0.000 0.766 200 E HN 0.264 nan 8.360 nan 0.000 0.507 201 N N 0.805 119.691 118.700 0.310 0.000 2.398 201 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 201 N C -0.308 175.137 175.510 -0.109 0.000 1.122 201 N CA 0.398 53.640 53.050 0.320 0.000 0.866 201 N CB 0.544 39.149 38.487 0.196 0.000 0.970 201 N HN 0.060 nan 8.380 nan 0.000 0.462 202 T N 2.076 116.610 114.554 -0.034 0.000 2.752 202 T HA 0.145 4.495 4.350 -0.000 0.000 0.295 202 T C 1.921 176.469 174.700 -0.253 0.000 0.923 202 T CA -0.295 61.709 62.100 -0.159 0.000 1.112 202 T CB 0.569 69.397 68.868 -0.067 0.000 0.884 202 T HN 0.215 nan 8.240 nan 0.000 0.525 203 I N 0.919 121.225 120.570 -0.441 0.000 2.928 203 I HA 0.412 4.582 4.170 -0.000 0.000 0.266 203 I C 0.972 177.071 176.117 -0.031 0.000 1.234 203 I CA 0.077 61.184 61.300 -0.322 0.000 1.483 203 I CB -0.078 37.745 38.000 -0.296 0.000 1.097 203 I HN 0.661 nan 8.210 nan 0.000 0.455 204 G N 0.164 108.931 108.800 -0.054 0.000 2.316 204 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 204 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 204 G C -1.714 173.142 174.900 -0.074 0.000 1.399 204 G CA -0.457 44.633 45.100 -0.017 0.000 0.833 204 G HN -0.064 nan 8.290 nan 0.000 0.565 205 V N -0.207 119.662 119.914 -0.074 0.000 2.555 205 V HA 0.657 4.777 4.120 -0.000 0.000 0.302 205 V C -0.166 175.839 176.094 -0.149 0.000 1.038 205 V CA -0.744 61.484 62.300 -0.119 0.000 0.887 205 V CB 1.761 33.525 31.823 -0.099 0.000 0.991 205 V HN 0.732 nan 8.190 nan 0.000 0.434 206 V N 6.799 126.565 119.914 -0.247 0.000 2.284 206 V HA 0.355 4.475 4.120 -0.000 0.000 0.274 206 V C -2.444 173.496 176.094 -0.256 0.000 1.023 206 V CA -1.624 60.472 62.300 -0.340 0.000 0.808 206 V CB 1.395 32.744 31.823 -0.789 0.000 1.035 206 V HN 0.746 nan 8.190 nan 0.000 0.445 207 P HA 0.339 nan 4.420 nan 0.000 0.278 207 P C -0.249 177.012 177.300 -0.065 0.000 1.238 207 P CA -0.188 62.865 63.100 -0.077 0.000 0.794 207 P CB 0.723 32.396 31.700 -0.045 0.000 0.955 208 T N 2.932 117.484 114.554 -0.003 0.000 2.929 208 T HA 0.246 4.596 4.350 -0.000 0.000 0.331 208 T C -0.332 174.415 174.700 0.079 0.000 1.120 208 T CA -0.074 62.047 62.100 0.034 0.000 0.973 208 T CB -0.719 68.181 68.868 0.054 0.000 1.036 208 T HN 0.157 nan 8.240 nan 0.000 0.502 209 F N 3.683 123.544 119.950 -0.147 0.000 2.677 209 F HA 0.465 4.992 4.527 -0.000 0.000 0.358 209 F C 1.114 176.908 175.800 -0.010 0.000 1.266 209 F CA -0.680 57.191 58.000 -0.214 0.000 1.262 209 F CB -0.693 37.996 39.000 -0.518 0.000 1.684 209 F HN 0.762 nan 8.300 nan 0.000 0.671 210 G N 2.903 111.649 108.800 -0.090 0.000 2.445 210 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.233 210 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.233 210 G C -1.022 173.845 174.900 -0.054 0.000 1.308 210 G CA -0.728 44.270 45.100 -0.170 0.000 1.179 210 G HN 0.333 nan 8.290 nan 0.000 0.637 211 V N 2.025 121.925 119.914 -0.022 0.000 2.540 211 V HA 0.208 4.328 4.120 -0.000 0.000 0.297 211 V C 2.253 178.358 176.094 0.018 0.000 1.024 211 V CA 1.103 63.436 62.300 0.055 0.000 1.105 211 V CB 0.604 32.518 31.823 0.152 0.000 0.938 211 V HN 0.994 nan 8.190 nan 0.000 0.482 212 T N 2.478 116.933 114.554 -0.164 0.000 2.643 212 T HA -0.259 4.091 4.350 -0.000 0.000 0.264 212 T C 1.485 176.079 174.700 -0.176 0.000 1.045 212 T CA 1.961 63.831 62.100 -0.385 0.000 1.155 212 T CB -0.665 67.719 68.868 -0.806 0.000 0.863 212 T HN 0.579 nan 8.240 nan 0.000 0.420 213 Y N 2.819 123.175 120.300 0.095 0.000 2.193 213 Y HA -0.090 4.460 4.550 -0.000 0.000 0.285 213 Y C 3.135 179.228 175.900 0.321 0.000 1.166 213 Y CA 1.389 59.622 58.100 0.221 0.000 1.181 213 Y CB -1.102 37.487 38.460 0.214 0.000 0.976 213 Y HN 0.586 nan 8.280 nan 0.000 0.520 214 T N -5.929 108.832 114.554 0.344 0.000 2.955 214 T HA 0.459 4.809 4.350 -0.000 0.000 0.251 214 T C 1.780 176.582 174.700 0.170 0.000 1.002 214 T CA 0.455 62.704 62.100 0.249 0.000 0.970 214 T CB 0.309 69.307 68.868 0.217 0.000 1.091 214 T HN 0.463 nan 8.240 nan 0.000 0.495 215 G N 1.903 110.790 108.800 0.146 0.000 2.176 215 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.253 215 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.253 215 G C -0.104 174.725 174.900 -0.117 0.000 0.979 215 G CA -0.027 45.111 45.100 0.063 0.000 0.641 215 G HN 0.645 nan 8.290 nan 0.000 0.530 216 N N -0.259 118.389 118.700 -0.087 0.000 2.489 216 N HA 0.541 5.281 4.740 -0.000 0.000 0.284 216 N C -0.343 175.000 175.510 -0.278 0.000 1.158 216 N CA -0.345 52.591 53.050 -0.191 0.000 0.965 216 N CB 0.677 39.143 38.487 -0.036 0.000 1.195 216 N HN 0.077 nan 8.380 nan 0.000 0.506 217 Y N 0.508 120.578 120.300 -0.383 0.000 2.301 217 Y HA 0.112 4.662 4.550 -0.000 0.000 0.328 217 Y C 0.951 176.527 175.900 -0.540 0.000 1.242 217 Y CA -0.252 57.451 58.100 -0.662 0.000 1.323 217 Y CB 0.552 38.311 38.460 -1.167 0.000 1.266 217 Y HN 0.427 nan 8.280 nan 0.000 0.527 218 E N 2.636 122.740 120.200 -0.160 0.000 2.256 218 E HA 0.284 4.634 4.350 -0.000 0.000 0.243 218 E C -1.450 175.127 176.600 -0.038 0.000 0.925 218 E CA -0.535 55.828 56.400 -0.062 0.000 0.748 218 E CB 0.032 29.766 29.700 0.056 0.000 1.206 218 E HN 0.392 nan 8.360 nan 0.000 0.428 219 F N 4.486 124.474 119.950 0.064 0.000 2.571 219 F HA 0.079 4.606 4.527 -0.000 0.000 0.390 219 F C -1.462 174.345 175.800 0.012 0.000 1.043 219 F CA -1.495 56.535 58.000 0.050 0.000 1.164 219 F CB 0.376 39.384 39.000 0.012 0.000 1.049 219 F HN 0.493 nan 8.300 nan 0.000 0.552 220 P HA -0.182 nan 4.420 nan 0.000 0.220 220 P C 1.585 178.931 177.300 0.076 0.000 1.152 220 P CA 0.776 63.902 63.100 0.042 0.000 0.812 220 P CB 0.158 31.817 31.700 -0.069 0.000 0.792 221 Q N 0.834 120.675 119.800 0.067 0.000 2.012 221 Q HA -0.196 4.144 4.340 -0.000 0.000 0.211 221 Q C -0.750 175.304 176.000 0.090 0.000 1.009 221 Q CA 3.196 59.026 55.803 0.046 0.000 0.866 221 Q CB -2.056 26.697 28.738 0.025 0.000 0.945 221 Q HN 0.161 nan 8.270 nan 0.000 0.414 222 P HA -0.148 nan 4.420 nan 0.000 0.215 222 P C 1.094 178.446 177.300 0.088 0.000 1.153 222 P CA 1.450 64.596 63.100 0.077 0.000 0.853 222 P CB -0.131 31.614 31.700 0.075 0.000 0.788 223 L N -2.051 119.230 121.223 0.098 0.000 2.141 223 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 223 L C 2.730 179.639 176.870 0.065 0.000 1.094 223 L CA 1.310 56.192 54.840 0.070 0.000 0.763 223 L CB -1.072 41.025 42.059 0.062 0.000 0.908 223 L HN 0.170 nan 8.230 nan 0.000 0.437 224 H N 0.562 119.634 119.070 0.003 0.000 2.321 224 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 224 H C 1.642 176.979 175.328 0.014 0.000 1.087 224 H CA 1.981 58.027 56.048 -0.002 0.000 1.319 224 H CB 0.238 29.988 29.762 -0.020 0.000 1.379 224 H HN 0.334 nan 8.280 nan 0.000 0.501 225 D N 0.659 121.137 120.400 0.129 0.000 2.104 225 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 225 D C 2.276 178.596 176.300 0.033 0.000 0.994 225 D CA 1.254 55.299 54.000 0.076 0.000 0.830 225 D CB -0.656 40.189 40.800 0.076 0.000 0.959 225 D HN 0.445 nan 8.370 nan 0.000 0.452 226 A N 0.904 123.745 122.820 0.036 0.000 1.917 226 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 226 A C 2.399 180.009 177.584 0.044 0.000 1.182 226 A CA 1.126 53.186 52.037 0.039 0.000 0.633 226 A CB -0.860 18.154 19.000 0.024 0.000 0.819 226 A HN 0.236 nan 8.150 nan 0.000 0.448 227 L N -0.840 120.372 121.223 -0.019 0.000 2.141 227 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 227 L C 2.026 178.912 176.870 0.025 0.000 1.094 227 L CA 1.192 56.024 54.840 -0.013 0.000 0.763 227 L CB -0.575 41.413 42.059 -0.120 0.000 0.908 227 L HN 0.380 nan 8.230 nan 0.000 0.437 228 D N 0.327 120.698 120.400 -0.048 0.000 2.097 228 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 228 D C 2.149 178.471 176.300 0.037 0.000 0.984 228 D CA 1.173 55.159 54.000 -0.023 0.000 0.826 228 D CB 0.097 40.884 40.800 -0.022 0.000 0.973 228 D HN 0.274 nan 8.370 nan 0.000 0.460 229 K N 0.045 120.479 120.400 0.058 0.000 2.026 229 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 229 K C 2.124 178.777 176.600 0.088 0.000 1.048 229 K CA 0.618 56.942 56.287 0.063 0.000 0.929 229 K CB -0.393 32.149 32.500 0.069 0.000 0.713 229 K HN 0.045 nan 8.250 nan 0.000 0.439 230 F N 2.594 122.535 119.950 -0.015 0.000 2.115 230 F HA -0.323 4.204 4.527 -0.000 0.000 0.300 230 F C 2.552 178.348 175.800 -0.006 0.000 1.092 230 F CA 1.826 59.821 58.000 -0.009 0.000 1.245 230 F CB -0.210 38.783 39.000 -0.011 0.000 0.995 230 F HN 0.121 nan 8.300 nan 0.000 0.481 231 Q N -0.372 119.462 119.800 0.056 0.000 2.119 231 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 231 Q C 2.313 178.265 176.000 -0.081 0.000 0.972 231 Q CA 1.187 56.971 55.803 -0.031 0.000 0.847 231 Q CB -0.312 28.448 28.738 0.037 0.000 0.903 231 Q HN 0.486 nan 8.270 nan 0.000 0.433 232 A N 0.885 123.677 122.820 -0.047 0.000 2.019 232 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 232 A C 1.371 178.907 177.584 -0.079 0.000 1.164 232 A CA 1.747 53.756 52.037 -0.046 0.000 0.644 232 A CB -0.198 18.791 19.000 -0.019 0.000 0.805 232 A HN 0.431 nan 8.150 nan 0.000 0.449 233 D N -1.593 118.730 120.400 -0.129 0.000 2.355 233 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 233 D C 1.739 177.906 176.300 -0.221 0.000 1.010 233 D CA 1.681 55.591 54.000 -0.150 0.000 0.875 233 D CB 0.042 40.764 40.800 -0.129 0.000 0.966 233 D HN 0.630 nan 8.370 nan 0.000 0.512 234 T N -4.120 110.228 114.554 -0.342 0.000 2.975 234 T HA 0.361 4.711 4.350 -0.000 0.000 0.261 234 T C 1.658 176.229 174.700 -0.215 0.000 0.984 234 T CA 0.733 62.624 62.100 -0.348 0.000 0.911 234 T CB 1.008 69.477 68.868 -0.666 0.000 1.127 234 T HN 0.119 nan 8.240 nan 0.000 0.514 235 G N 1.895 110.593 108.800 -0.170 0.000 2.184 235 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.264 235 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.264 235 G C 0.046 174.920 174.900 -0.042 0.000 0.975 235 G CA 0.230 45.282 45.100 -0.081 0.000 0.642 235 G HN 0.683 nan 8.290 nan 0.000 0.536 236 I N 1.823 122.354 120.570 -0.064 0.000 2.322 236 I HA 0.195 4.365 4.170 -0.000 0.000 0.292 236 I C -0.053 176.159 176.117 0.158 0.000 1.060 236 I CA -0.425 60.922 61.300 0.077 0.000 1.309 236 I CB 0.973 39.081 38.000 0.179 0.000 1.415 236 I HN 0.074 nan 8.210 nan 0.000 0.492 237 D N 9.053 129.532 120.400 0.132 0.000 2.347 237 D HA 0.316 4.956 4.640 -0.000 0.000 0.235 237 D C -0.491 175.896 176.300 0.145 0.000 1.149 237 D CA -0.202 53.871 54.000 0.121 0.000 0.850 237 D CB 0.817 41.668 40.800 0.085 0.000 1.061 237 D HN 0.355 nan 8.370 nan 0.000 0.487 238 I N 3.277 123.925 120.570 0.131 0.000 2.412 238 I HA 0.185 4.355 4.170 -0.000 0.000 0.296 238 I C 0.313 176.466 176.117 0.061 0.000 0.987 238 I CA -0.908 60.451 61.300 0.099 0.000 1.180 238 I CB 1.727 39.756 38.000 0.049 0.000 1.340 238 I HN 0.199 nan 8.210 nan 0.000 0.455 239 D N 6.445 126.896 120.400 0.084 0.000 2.332 239 D HA 0.575 5.215 4.640 -0.000 0.000 0.252 239 D C -0.364 175.977 176.300 0.068 0.000 1.050 239 D CA -0.296 53.760 54.000 0.092 0.000 0.970 239 D CB 1.821 42.705 40.800 0.141 0.000 1.141 239 D HN 0.294 nan 8.370 nan 0.000 0.485 240 M N 0.161 119.810 119.600 0.081 0.000 2.602 240 M HA 0.294 4.773 4.480 -0.000 0.000 0.312 240 M C -0.881 175.462 176.300 0.073 0.000 1.181 240 M CA -0.738 54.589 55.300 0.046 0.000 0.910 240 M CB 2.440 35.057 32.600 0.029 0.000 1.723 240 M HN 0.336 nan 8.290 nan 0.000 0.459 241 H N 2.149 121.184 119.070 -0.058 0.000 2.906 241 H HA 0.470 5.026 4.556 -0.000 0.000 0.324 241 H C -1.535 173.726 175.328 -0.112 0.000 0.973 241 H CA -0.595 55.416 56.048 -0.062 0.000 1.321 241 H CB 0.905 30.650 29.762 -0.029 0.000 1.535 241 H HN 0.501 nan 8.280 nan 0.000 0.518 242 I N 3.769 123.945 120.570 -0.656 0.000 2.441 242 I HA 0.077 4.247 4.170 -0.000 0.000 0.287 242 I C 0.344 176.177 176.117 -0.472 0.000 1.049 242 I CA -0.158 60.867 61.300 -0.458 0.000 1.381 242 I CB 0.892 38.665 38.000 -0.379 0.000 1.409 242 I HN 0.732 nan 8.210 nan 0.000 0.523 243 D N 6.139 126.453 120.400 -0.143 0.000 2.499 243 D HA 0.397 5.037 4.640 -0.000 0.000 0.225 243 D C 0.308 176.623 176.300 0.025 0.000 1.124 243 D CA -0.340 53.703 54.000 0.072 0.000 0.938 243 D CB 0.756 41.700 40.800 0.240 0.000 1.014 243 D HN 0.593 nan 8.370 nan 0.000 0.517 244 A N 2.910 125.698 122.820 -0.054 0.000 2.833 244 A HA 0.523 4.843 4.320 -0.000 0.000 0.293 244 A C 1.839 179.454 177.584 0.051 0.000 1.338 244 A CA 0.311 52.307 52.037 -0.067 0.000 0.959 244 A CB -0.193 18.626 19.000 -0.301 0.000 1.094 244 A HN 0.524 nan 8.150 nan 0.000 0.569 245 A N 0.086 122.978 122.820 0.120 0.000 1.915 245 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 245 A C 2.395 180.155 177.584 0.294 0.000 1.198 245 A CA 2.748 54.902 52.037 0.195 0.000 0.647 245 A CB -0.556 18.522 19.000 0.130 0.000 0.825 245 A HN 0.514 nan 8.150 nan 0.000 0.456 246 S N -1.457 114.390 115.700 0.245 0.000 2.357 246 S HA 0.209 4.679 4.470 -0.000 0.000 0.209 246 S C 2.196 176.922 174.600 0.209 0.000 1.023 246 S CA 0.539 58.974 58.200 0.392 0.000 0.933 246 S CB -1.018 62.388 63.200 0.345 0.000 0.897 246 S HN 0.764 nan 8.310 nan 0.000 0.529 247 G N 1.559 110.337 108.800 -0.035 0.000 2.503 247 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.221 247 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.221 247 G C 1.462 176.250 174.900 -0.186 0.000 1.131 247 G CA 1.240 46.207 45.100 -0.221 0.000 0.756 247 G HN 0.573 nan 8.290 nan 0.000 0.572 248 G N 0.118 108.821 108.800 -0.161 0.000 2.550 248 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.222 248 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.222 248 G C 1.045 175.921 174.900 -0.040 0.000 1.113 248 G CA 0.817 45.844 45.100 -0.122 0.000 0.748 248 G HN 0.413 nan 8.290 nan 0.000 0.585 249 F N -0.453 119.729 119.950 0.386 0.000 2.791 249 F HA 0.520 5.047 4.527 -0.000 0.000 0.308 249 F C 1.400 177.496 175.800 0.494 0.000 1.138 249 F CA -0.406 57.864 58.000 0.451 0.000 1.294 249 F CB 0.463 39.791 39.000 0.548 0.000 0.975 249 F HN -0.004 nan 8.300 nan 0.000 0.512 250 L N -1.375 120.059 121.223 0.352 0.000 2.862 250 L HA 0.295 4.635 4.340 -0.000 0.000 0.169 250 L C 2.466 179.494 176.870 0.263 0.000 1.164 250 L CA 0.782 55.807 54.840 0.309 0.000 0.858 250 L CB -0.880 41.207 42.059 0.047 0.000 1.329 250 L HN 0.023 nan 8.230 nan 0.000 0.514 251 A N 1.174 124.061 122.820 0.111 0.000 1.884 251 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 251 A C -0.407 177.236 177.584 0.098 0.000 1.197 251 A CA 2.382 54.472 52.037 0.089 0.000 0.637 251 A CB -2.120 16.853 19.000 -0.046 0.000 0.827 251 A HN 0.275 nan 8.150 nan 0.000 0.450 252 P HA -0.157 nan 4.420 nan 0.000 0.219 252 P C 0.636 177.758 177.300 -0.297 0.000 1.144 252 P CA 1.319 64.288 63.100 -0.218 0.000 0.806 252 P CB -0.114 31.288 31.700 -0.498 0.000 0.771 253 F N -2.357 117.700 119.950 0.178 0.000 2.500 253 F HA 0.069 4.596 4.527 -0.000 0.000 0.285 253 F C 1.934 177.826 175.800 0.155 0.000 1.088 253 F CA 0.421 58.519 58.000 0.164 0.000 1.432 253 F CB -0.896 38.231 39.000 0.211 0.000 1.131 253 F HN -0.241 nan 8.300 nan 0.000 0.582 254 V N -3.172 116.940 119.914 0.330 0.000 3.528 254 V HA 0.703 4.823 4.120 -0.000 0.000 0.294 254 V C 0.544 176.705 176.094 0.112 0.000 1.404 254 V CA 0.448 62.875 62.300 0.211 0.000 1.065 254 V CB -0.029 31.929 31.823 0.225 0.000 0.904 254 V HN 0.105 nan 8.190 nan 0.000 0.435 255 A N 1.263 124.160 122.820 0.128 0.000 3.448 255 A HA 0.599 4.918 4.320 -0.000 0.000 0.232 255 A C -1.395 176.267 177.584 0.129 0.000 1.018 255 A CA -0.213 51.889 52.037 0.107 0.000 0.996 255 A CB 0.188 19.255 19.000 0.113 0.000 1.283 255 A HN 0.281 nan 8.150 nan 0.000 0.586 256 P HA -0.143 nan 4.420 nan 0.000 0.223 256 P C 0.176 177.539 177.300 0.104 0.000 1.144 256 P CA 1.164 64.338 63.100 0.123 0.000 0.783 256 P CB 0.322 32.083 31.700 0.102 0.000 0.771 257 D N -0.064 120.386 120.400 0.083 0.000 2.289 257 D HA 0.058 4.698 4.640 -0.000 0.000 0.207 257 D C 1.098 177.436 176.300 0.063 0.000 0.966 257 D CA 0.235 54.265 54.000 0.050 0.000 0.868 257 D CB -0.240 40.582 40.800 0.036 0.000 0.943 257 D HN 0.286 nan 8.370 nan 0.000 0.514 258 I N 1.760 122.408 120.570 0.130 0.000 2.581 258 I HA -0.059 4.111 4.170 -0.000 0.000 0.285 258 I C 0.161 176.373 176.117 0.158 0.000 1.129 258 I CA -0.115 61.297 61.300 0.185 0.000 1.397 258 I CB 0.884 39.043 38.000 0.264 0.000 1.399 258 I HN -0.334 nan 8.210 nan 0.000 0.537 259 V N 8.592 128.532 119.914 0.044 0.000 2.356 259 V HA 0.065 4.185 4.120 -0.000 0.000 0.258 259 V C 0.529 176.537 176.094 -0.144 0.000 1.065 259 V CA 0.169 62.400 62.300 -0.115 0.000 0.935 259 V CB 0.078 31.816 31.823 -0.141 0.000 1.061 259 V HN 0.941 nan 8.190 nan 0.000 0.484 260 W N 3.820 124.841 121.300 -0.466 0.000 2.120 260 W HA 0.201 4.861 4.660 -0.000 0.000 0.227 260 W C 0.130 176.231 176.519 -0.697 0.000 0.910 260 W CA 0.243 57.173 57.345 -0.692 0.000 1.111 260 W CB -0.280 28.372 29.460 -1.347 0.000 0.887 260 W HN 0.622 nan 8.180 nan 0.000 0.598 261 D N 1.327 120.649 120.400 -1.797 0.000 2.360 261 D HA 0.097 4.737 4.640 -0.000 0.000 0.289 261 D C 0.917 176.644 176.300 -0.955 0.000 1.183 261 D CA -0.170 52.750 54.000 -1.799 0.000 1.082 261 D CB -0.610 39.061 40.800 -1.881 0.000 1.146 261 D HN -0.223 nan 8.370 nan 0.000 0.545 262 F N -0.342 119.302 119.950 -0.510 0.000 2.722 262 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 262 F C 2.222 177.872 175.800 -0.251 0.000 1.175 262 F CA 0.288 58.121 58.000 -0.278 0.000 1.462 262 F CB -0.520 38.399 39.000 -0.135 0.000 1.111 262 F HN 0.037 nan 8.300 nan 0.000 0.592 263 R N -0.026 120.341 120.500 -0.221 0.000 2.237 263 R HA 0.007 4.347 4.340 -0.000 0.000 0.219 263 R C 0.443 176.594 176.300 -0.249 0.000 1.080 263 R CA 0.485 56.437 56.100 -0.247 0.000 0.995 263 R CB -0.273 29.794 30.300 -0.388 0.000 0.875 263 R HN 0.262 nan 8.270 nan 0.000 0.462 264 L N 1.745 122.777 121.223 -0.319 0.000 2.265 264 L HA 0.188 4.528 4.340 -0.000 0.000 0.288 264 L C -1.602 175.150 176.870 -0.198 0.000 1.058 264 L CA -1.974 52.583 54.840 -0.472 0.000 0.809 264 L CB 1.543 43.194 42.059 -0.680 0.000 1.179 264 L HN -0.226 nan 8.230 nan 0.000 0.429 265 P HA -0.132 nan 4.420 nan 0.000 0.216 265 P C 1.151 178.594 177.300 0.237 0.000 1.150 265 P CA 1.345 64.525 63.100 0.133 0.000 0.837 265 P CB 0.164 31.959 31.700 0.158 0.000 0.786 266 R N -0.952 119.855 120.500 0.512 0.000 2.280 266 R HA 0.046 4.386 4.340 -0.000 0.000 0.207 266 R C 0.094 176.516 176.300 0.203 0.000 1.043 266 R CA 0.190 56.459 56.100 0.282 0.000 1.006 266 R CB -0.393 29.964 30.300 0.095 0.000 0.885 266 R HN 0.084 nan 8.270 nan 0.000 0.467 267 V N 2.752 122.771 119.914 0.174 0.000 2.397 267 V HA 0.005 4.125 4.120 -0.000 0.000 0.262 267 V C 0.881 177.124 176.094 0.249 0.000 1.047 267 V CA 0.447 62.813 62.300 0.110 0.000 1.003 267 V CB 1.071 32.851 31.823 -0.072 0.000 1.037 267 V HN 0.143 nan 8.190 nan 0.000 0.480 268 K N 2.601 123.148 120.400 0.245 0.000 2.334 268 K HA 0.177 4.497 4.320 -0.000 0.000 0.195 268 K C 0.672 177.496 176.600 0.372 0.000 1.045 268 K CA 0.459 56.924 56.287 0.297 0.000 1.004 268 K CB 0.639 33.309 32.500 0.284 0.000 0.837 268 K HN 0.758 nan 8.250 nan 0.000 0.510 269 S N -0.044 115.841 115.700 0.309 0.000 2.537 269 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 269 S C -0.653 173.870 174.600 -0.129 0.000 1.142 269 S CA -0.988 57.305 58.200 0.155 0.000 0.870 269 S CB 1.644 64.780 63.200 -0.107 0.000 1.112 269 S HN 0.032 nan 8.310 nan 0.000 0.466 270 I N 2.028 122.473 120.570 -0.209 0.000 2.647 270 I HA 0.686 4.856 4.170 -0.000 0.000 0.295 270 I C -0.357 175.616 176.117 -0.239 0.000 1.078 270 I CA -0.624 60.331 61.300 -0.576 0.000 1.048 270 I CB 2.557 39.940 38.000 -1.028 0.000 1.239 270 I HN 0.933 nan 8.210 nan 0.000 0.421 271 S N 4.095 119.659 115.700 -0.225 0.000 2.570 271 S HA 0.981 5.451 4.470 -0.000 0.000 0.286 271 S C -0.988 173.702 174.600 0.151 0.000 1.099 271 S CA -0.558 57.725 58.200 0.139 0.000 0.913 271 S CB 2.530 65.887 63.200 0.263 0.000 1.085 271 S HN 0.980 nan 8.310 nan 0.000 0.480 272 A N 1.276 124.333 122.820 0.396 0.000 2.604 272 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 272 A C -0.656 177.213 177.584 0.475 0.000 1.067 272 A CA -0.769 51.525 52.037 0.429 0.000 0.683 272 A CB 1.383 20.708 19.000 0.542 0.000 1.281 272 A HN 0.860 nan 8.150 nan 0.000 0.407 273 S N 0.695 116.623 115.700 0.381 0.000 2.411 273 S HA 0.417 4.887 4.470 -0.000 0.000 0.294 273 S C 1.447 176.210 174.600 0.271 0.000 1.115 273 S CA 0.214 58.496 58.200 0.138 0.000 1.071 273 S CB 1.117 64.340 63.200 0.039 0.000 0.967 273 S HN 1.217 nan 8.310 nan 0.000 0.488 274 G N 2.049 110.941 108.800 0.153 0.000 2.422 274 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 274 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 274 G C 0.952 175.876 174.900 0.041 0.000 1.140 274 G CA 0.280 45.474 45.100 0.157 0.000 0.775 274 G HN 0.931 nan 8.290 nan 0.000 0.545 275 H N -0.727 118.396 119.070 0.088 0.000 2.547 275 H HA 0.380 4.936 4.556 -0.000 0.000 0.274 275 H C 1.352 176.695 175.328 0.024 0.000 1.024 275 H CA 0.122 56.187 56.048 0.028 0.000 1.155 275 H CB 0.273 30.024 29.762 -0.017 0.000 1.344 275 H HN 0.257 nan 8.280 nan 0.000 0.598 276 K N 0.393 120.923 120.400 0.217 0.000 3.533 276 K HA 0.155 4.475 4.320 -0.000 0.000 0.215 276 K C 0.512 177.057 176.600 -0.091 0.000 1.143 276 K CA -0.172 56.166 56.287 0.085 0.000 1.479 276 K CB 0.166 32.793 32.500 0.211 0.000 2.075 276 K HN 0.051 nan 8.250 nan 0.000 0.476 277 F N 0.971 121.109 119.950 0.313 0.000 2.765 277 F HA 0.168 4.695 4.527 -0.000 0.000 0.302 277 F C 1.705 177.712 175.800 0.344 0.000 1.111 277 F CA 0.026 58.214 58.000 0.313 0.000 1.359 277 F CB 0.302 39.512 39.000 0.349 0.000 1.097 277 F HN 0.333 nan 8.300 nan 0.000 0.577 278 G N -0.539 108.416 108.800 0.259 0.000 2.813 278 G HA2 0.038 3.998 3.960 -0.000 0.000 0.209 278 G HA3 0.038 3.998 3.960 -0.000 0.000 0.209 278 G C 1.145 176.139 174.900 0.158 0.000 1.150 278 G CA 0.151 45.138 45.100 -0.189 0.000 0.785 278 G HN 0.425 nan 8.290 nan 0.000 0.535 279 L N -1.984 119.335 121.223 0.158 0.000 4.496 279 L HA -0.197 4.143 4.340 -0.000 0.000 0.419 279 L C 1.108 178.030 176.870 0.086 0.000 1.139 279 L CA -0.020 54.887 54.840 0.111 0.000 0.975 279 L CB -2.213 39.871 42.059 0.042 0.000 2.099 279 L HN 0.388 nan 8.230 nan 0.000 0.818 280 A N 0.273 123.140 122.820 0.080 0.000 2.293 280 A HA 0.794 5.114 4.320 -0.000 0.000 0.302 280 A C -1.930 175.683 177.584 0.048 0.000 1.119 280 A CA -1.172 50.898 52.037 0.056 0.000 0.823 280 A CB 0.489 19.523 19.000 0.057 0.000 1.097 280 A HN 0.055 nan 8.150 nan 0.000 0.491 281 P HA 0.140 nan 4.420 nan 0.000 0.272 281 P C -0.225 177.072 177.300 -0.005 0.000 1.230 281 P CA -0.166 62.904 63.100 -0.049 0.000 0.788 281 P CB 0.445 32.069 31.700 -0.126 0.000 0.949 282 L N 1.199 122.383 121.223 -0.065 0.000 2.653 282 L HA 0.008 4.348 4.340 -0.000 0.000 0.288 282 L C 1.581 178.412 176.870 -0.065 0.000 1.243 282 L CA 1.694 56.438 54.840 -0.161 0.000 0.906 282 L CB -0.965 40.959 42.059 -0.225 0.000 1.154 282 L HN 0.922 nan 8.230 nan 0.000 0.498 283 G N 2.097 110.944 108.800 0.078 0.000 2.151 283 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.156 283 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.156 283 G C -0.473 174.413 174.900 -0.023 0.000 1.017 283 G CA -0.305 44.812 45.100 0.027 0.000 0.686 283 G HN 0.803 nan 8.290 nan 0.000 0.503 284 C N 0.426 119.779 119.300 0.089 0.000 2.642 284 C HA 0.923 5.383 4.460 -0.000 0.000 0.344 284 C C 0.536 175.228 174.990 -0.496 0.000 1.110 284 C CA 0.705 59.548 59.018 -0.291 0.000 1.298 284 C CB 0.789 28.403 27.740 -0.211 0.000 1.827 284 C HN 1.539 nan 8.230 nan 0.000 0.467 285 G N 3.260 111.686 108.800 -0.624 0.000 2.694 285 G HA2 0.828 4.788 3.960 -0.000 0.000 0.290 285 G HA3 0.828 4.788 3.960 -0.000 0.000 0.290 285 G C -2.121 172.397 174.900 -0.636 0.000 1.386 285 G CA -0.583 44.248 45.100 -0.449 0.000 0.872 285 G HN 0.762 nan 8.290 nan 0.000 0.475 286 W N -0.911 120.481 121.300 0.153 0.000 3.107 286 W HA 0.624 5.284 4.660 -0.000 0.000 0.331 286 W C -0.859 175.805 176.519 0.241 0.000 1.204 286 W CA -0.924 56.545 57.345 0.207 0.000 1.184 286 W CB 2.509 32.134 29.460 0.275 0.000 1.421 286 W HN 0.462 nan 8.180 nan 0.000 0.544 287 V N 5.003 125.190 119.914 0.454 0.000 2.711 287 V HA 0.649 4.769 4.120 -0.000 0.000 0.304 287 V C -1.612 174.595 176.094 0.188 0.000 1.097 287 V CA -0.754 61.681 62.300 0.225 0.000 0.906 287 V CB 1.162 32.953 31.823 -0.053 0.000 1.015 287 V HN 0.450 nan 8.190 nan 0.000 0.427 288 I N 6.208 126.911 120.570 0.222 0.000 2.569 288 I HA 0.533 4.703 4.170 -0.000 0.000 0.296 288 I C -0.519 175.693 176.117 0.159 0.000 1.028 288 I CA -0.551 60.946 61.300 0.328 0.000 1.082 288 I CB 2.068 40.433 38.000 0.608 0.000 1.264 288 I HN 0.626 nan 8.210 nan 0.000 0.429 289 W N 4.758 126.223 121.300 0.275 0.000 2.570 289 W HA 0.337 4.997 4.660 -0.000 0.000 0.337 289 W C 1.358 177.769 176.519 -0.180 0.000 1.067 289 W CA -0.597 56.834 57.345 0.144 0.000 1.229 289 W CB 1.850 31.391 29.460 0.134 0.000 1.355 289 W HN 0.624 nan 8.180 nan 0.000 0.555 290 R N 0.323 120.728 120.500 -0.159 0.000 2.189 290 R HA -0.087 4.253 4.340 -0.000 0.000 0.223 290 R C -0.627 175.558 176.300 -0.192 0.000 1.092 290 R CA 1.417 57.204 56.100 -0.520 0.000 0.989 290 R CB -0.140 29.881 30.300 -0.465 0.000 0.876 290 R HN 0.477 nan 8.270 nan 0.000 0.457 291 D N -2.345 118.050 120.400 -0.008 0.000 2.755 291 D HA 0.027 4.667 4.640 -0.000 0.000 0.277 291 D C -0.284 176.034 176.300 0.031 0.000 1.261 291 D CA -0.865 53.138 54.000 0.004 0.000 0.759 291 D CB 0.397 41.189 40.800 -0.014 0.000 1.279 291 D HN -0.123 nan 8.370 nan 0.000 0.420 292 E N -0.306 119.895 120.200 0.003 0.000 2.331 292 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 292 E C 0.930 177.503 176.600 -0.045 0.000 1.008 292 E CA 0.832 57.215 56.400 -0.029 0.000 0.843 292 E CB 0.169 29.852 29.700 -0.028 0.000 0.761 292 E HN 0.563 nan 8.360 nan 0.000 0.507 293 E N 0.125 120.317 120.200 -0.012 0.000 2.371 293 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 293 E C 1.614 178.224 176.600 0.017 0.000 1.012 293 E CA 0.296 56.694 56.400 -0.003 0.000 0.860 293 E CB 0.209 29.917 29.700 0.014 0.000 0.811 293 E HN 0.151 nan 8.360 nan 0.000 0.502 294 A N 0.541 123.388 122.820 0.045 0.000 2.123 294 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 294 A C 0.868 178.450 177.584 -0.002 0.000 1.152 294 A CA 0.029 52.145 52.037 0.132 0.000 0.728 294 A CB 0.191 19.372 19.000 0.302 0.000 0.814 294 A HN 0.173 nan 8.150 nan 0.000 0.464 295 L N 1.101 122.171 121.223 -0.254 0.000 2.301 295 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 295 L C -2.883 173.754 176.870 -0.388 0.000 1.022 295 L CA -2.613 51.878 54.840 -0.582 0.000 0.854 295 L CB 1.067 42.551 42.059 -0.958 0.000 1.226 295 L HN -0.150 nan 8.230 nan 0.000 0.429 296 P HA 0.046 nan 4.420 nan 0.000 0.258 296 P C 0.166 177.252 177.300 -0.356 0.000 1.187 296 P CA 0.020 62.985 63.100 -0.226 0.000 0.767 296 P CB 0.484 32.111 31.700 -0.121 0.000 0.770 297 Q N 2.327 121.977 119.800 -0.250 0.000 2.297 297 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 297 Q C 1.109 176.914 176.000 -0.325 0.000 0.981 297 Q CA 1.591 57.234 55.803 -0.268 0.000 0.876 297 Q CB -0.137 28.498 28.738 -0.172 0.000 0.921 297 Q HN 0.576 nan 8.270 nan 0.000 0.446 298 E N -0.425 119.595 120.200 -0.300 0.000 2.347 298 E HA -0.093 4.256 4.350 -0.000 0.000 0.196 298 E C 1.247 177.529 176.600 -0.530 0.000 1.008 298 E CA 0.359 56.573 56.400 -0.309 0.000 0.852 298 E CB 0.064 29.729 29.700 -0.057 0.000 0.783 298 E HN 0.116 nan 8.360 nan 0.000 0.505 299 L N -0.339 120.462 121.223 -0.705 0.000 2.477 299 L HA 0.086 4.426 4.340 -0.000 0.000 0.220 299 L C 0.189 176.706 176.870 -0.588 0.000 1.106 299 L CA 0.387 54.744 54.840 -0.806 0.000 0.851 299 L CB 0.348 41.619 42.059 -1.313 0.000 0.994 299 L HN -0.105 nan 8.230 nan 0.000 0.462 300 V N -0.161 119.428 119.914 -0.542 0.000 2.546 300 V HA 0.202 4.322 4.120 -0.000 0.000 0.284 300 V C -0.536 175.376 176.094 -0.304 0.000 1.050 300 V CA -0.393 61.742 62.300 -0.275 0.000 0.981 300 V CB 1.092 32.762 31.823 -0.255 0.000 0.990 300 V HN -0.080 nan 8.190 nan 0.000 0.474 301 F N 3.078 123.028 119.950 -0.000 0.000 2.403 301 F HA 0.467 4.994 4.527 -0.000 0.000 0.355 301 F C 0.439 176.257 175.800 0.029 0.000 1.119 301 F CA -0.827 57.187 58.000 0.024 0.000 1.007 301 F CB 1.022 40.063 39.000 0.069 0.000 1.194 301 F HN 0.433 nan 8.300 nan 0.000 0.443 302 N N 1.840 120.599 118.700 0.098 0.000 2.525 302 N HA 0.536 5.276 4.740 -0.000 0.000 0.271 302 N C -0.703 174.871 175.510 0.107 0.000 1.194 302 N CA -0.321 52.775 53.050 0.077 0.000 0.964 302 N CB 1.214 39.717 38.487 0.027 0.000 1.126 302 N HN 0.346 nan 8.380 nan 0.000 0.452 303 V N -2.229 117.735 119.914 0.083 0.000 3.102 303 V HA 0.574 4.694 4.120 -0.000 0.000 0.312 303 V C -0.835 175.308 176.094 0.082 0.000 1.135 303 V CA -1.169 61.181 62.300 0.082 0.000 1.022 303 V CB 2.087 33.944 31.823 0.057 0.000 1.056 303 V HN 0.378 nan 8.190 nan 0.000 0.436 304 D N 1.753 122.203 120.400 0.083 0.000 2.351 304 D HA 0.406 5.046 4.640 -0.000 0.000 0.251 304 D C -1.093 175.305 176.300 0.163 0.000 1.137 304 D CA 0.696 54.750 54.000 0.091 0.000 0.879 304 D CB 1.012 41.847 40.800 0.059 0.000 1.181 304 D HN 0.774 nan 8.370 nan 0.000 0.448 305 Y N 3.018 123.309 120.300 -0.016 0.000 2.379 305 Y HA 0.214 4.764 4.550 -0.000 0.000 0.342 305 Y C -0.521 175.366 175.900 -0.020 0.000 1.126 305 Y CA -0.947 57.138 58.100 -0.025 0.000 1.310 305 Y CB 0.054 38.496 38.460 -0.031 0.000 1.115 305 Y HN 0.423 nan 8.280 nan 0.000 0.505 306 L N 5.707 126.737 121.223 -0.321 0.000 3.571 306 L HA -0.267 4.073 4.340 -0.000 0.000 0.630 306 L C 1.222 177.987 176.870 -0.176 0.000 1.265 306 L CA 1.016 55.658 54.840 -0.331 0.000 0.998 306 L CB -1.468 40.244 42.059 -0.579 0.000 1.574 306 L HN 1.045 nan 8.230 nan 0.000 0.867 307 G N -1.077 107.665 108.800 -0.095 0.000 2.270 307 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.268 307 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.268 307 G C 0.683 175.563 174.900 -0.033 0.000 0.982 307 G CA 0.504 45.571 45.100 -0.055 0.000 0.628 307 G HN 1.219 nan 8.290 nan 0.000 0.544 308 G N -1.808 106.973 108.800 -0.033 0.000 2.795 308 G HA2 0.610 4.570 3.960 -0.000 0.000 0.267 308 G HA3 0.610 4.570 3.960 -0.000 0.000 0.267 308 G C -0.518 174.412 174.900 0.050 0.000 1.362 308 G CA -0.222 44.883 45.100 0.009 0.000 1.048 308 G HN 0.301 nan 8.290 nan 0.000 0.547 309 Q N 0.027 119.867 119.800 0.067 0.000 2.695 309 Q HA 0.248 4.588 4.340 -0.000 0.000 0.246 309 Q C -1.361 174.689 176.000 0.082 0.000 0.961 309 Q CA -0.552 55.295 55.803 0.072 0.000 0.708 309 Q CB 2.161 30.923 28.738 0.040 0.000 1.282 309 Q HN 0.384 nan 8.270 nan 0.000 0.482 310 I N 1.131 121.769 120.570 0.113 0.000 2.428 310 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 310 I C 0.247 176.381 176.117 0.028 0.000 1.019 310 I CA 0.112 61.452 61.300 0.066 0.000 1.351 310 I CB 1.274 39.279 38.000 0.009 0.000 1.412 310 I HN 0.489 nan 8.210 nan 0.000 0.513 311 G N 4.893 113.708 108.800 0.026 0.000 2.356 311 G HA2 0.546 4.506 3.960 -0.000 0.000 0.298 311 G HA3 0.546 4.506 3.960 -0.000 0.000 0.298 311 G C -0.622 174.315 174.900 0.061 0.000 1.145 311 G CA -0.178 44.941 45.100 0.032 0.000 0.850 311 G HN 0.770 nan 8.290 nan 0.000 0.487 312 T N -0.783 113.840 114.554 0.115 0.000 2.861 312 T HA 0.658 5.008 4.350 -0.000 0.000 0.287 312 T C -1.367 173.536 174.700 0.338 0.000 1.003 312 T CA -0.836 61.370 62.100 0.176 0.000 0.977 312 T CB 1.818 70.746 68.868 0.099 0.000 0.996 312 T HN 0.440 nan 8.240 nan 0.000 0.448 313 F N 2.636 122.686 119.950 0.165 0.000 2.539 313 F HA 0.804 5.331 4.527 -0.000 0.000 0.328 313 F C -0.871 175.070 175.800 0.236 0.000 1.148 313 F CA -1.126 56.979 58.000 0.176 0.000 0.940 313 F CB 0.984 40.022 39.000 0.062 0.000 1.194 313 F HN 1.206 nan 8.300 nan 0.000 0.438 314 A N 6.136 129.030 122.820 0.123 0.000 2.581 314 A HA 0.475 4.795 4.320 -0.000 0.000 0.294 314 A C -0.341 177.278 177.584 0.058 0.000 1.035 314 A CA -0.611 51.417 52.037 -0.015 0.000 0.684 314 A CB 0.363 19.477 19.000 0.190 0.000 1.282 314 A HN 0.627 nan 8.150 nan 0.000 0.417 315 I N 0.584 121.166 120.570 0.020 0.000 2.584 315 I HA -0.052 4.118 4.170 -0.000 0.000 0.255 315 I C 1.087 177.263 176.117 0.097 0.000 1.145 315 I CA 0.483 61.831 61.300 0.081 0.000 1.462 315 I CB -0.193 37.871 38.000 0.106 0.000 1.102 315 I HN 0.569 nan 8.210 nan 0.000 0.433 316 N N 0.089 118.851 118.700 0.103 0.000 2.366 316 N HA 0.224 4.964 4.740 -0.000 0.000 0.277 316 N C -0.021 175.677 175.510 0.313 0.000 1.275 316 N CA 0.071 53.206 53.050 0.142 0.000 0.964 316 N CB 1.369 39.891 38.487 0.058 0.000 1.167 316 N HN -0.050 nan 8.380 nan 0.000 0.568 317 F N -0.453 119.550 119.950 0.089 0.000 1.974 317 F HA 0.265 4.792 4.527 -0.000 0.000 0.217 317 F C 0.186 176.078 175.800 0.153 0.000 1.278 317 F CA -0.184 57.886 58.000 0.117 0.000 1.241 317 F CB -0.299 38.731 39.000 0.050 0.000 1.985 317 F HN 0.153 nan 8.300 nan 0.000 0.120 318 S N 2.967 118.788 115.700 0.201 0.000 2.516 318 S HA 0.522 4.992 4.470 -0.000 0.000 0.282 318 S C -0.597 174.049 174.600 0.076 0.000 1.286 318 S CA -0.330 57.910 58.200 0.067 0.000 1.066 318 S CB -0.214 63.057 63.200 0.118 0.000 0.884 318 S HN 0.477 nan 8.310 nan 0.000 0.491 319 R N 1.615 122.150 120.500 0.059 0.000 2.690 319 R HA 0.427 4.767 4.340 -0.000 0.000 0.269 319 R C -3.763 172.537 176.300 -0.000 0.000 1.037 319 R CA -2.155 53.950 56.100 0.010 0.000 0.877 319 R CB 0.037 30.311 30.300 -0.042 0.000 1.255 319 R HN 0.208 nan 8.270 nan 0.000 0.467 320 P HA 0.002 nan 4.420 nan 0.000 0.262 320 P C -0.102 177.163 177.300 -0.057 0.000 1.182 320 P CA 0.410 63.469 63.100 -0.069 0.000 0.761 320 P CB 0.882 32.532 31.700 -0.083 0.000 0.795 321 A N 3.706 126.504 122.820 -0.036 0.000 2.275 321 A HA 0.177 4.497 4.320 -0.000 0.000 0.212 321 A C 2.193 179.767 177.584 -0.017 0.000 1.201 321 A CA 1.019 53.075 52.037 0.031 0.000 0.843 321 A CB -1.011 18.008 19.000 0.032 0.000 0.873 321 A HN 0.596 nan 8.150 nan 0.000 0.492 322 G N 0.274 109.040 108.800 -0.057 0.000 2.491 322 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 322 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 322 G C 1.452 176.320 174.900 -0.053 0.000 1.180 322 G CA 1.383 46.448 45.100 -0.058 0.000 0.774 322 G HN 0.530 nan 8.290 nan 0.000 0.562 323 Q N -0.045 119.707 119.800 -0.080 0.000 2.061 323 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 323 Q C 2.874 178.852 176.000 -0.038 0.000 0.984 323 Q CA 1.555 57.312 55.803 -0.077 0.000 0.846 323 Q CB -0.687 27.979 28.738 -0.120 0.000 0.902 323 Q HN 0.377 nan 8.270 nan 0.000 0.421 324 V N 0.540 120.426 119.914 -0.045 0.000 2.287 324 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 324 V C 2.082 178.251 176.094 0.125 0.000 1.053 324 V CA 1.831 64.170 62.300 0.066 0.000 1.027 324 V CB -0.611 31.278 31.823 0.111 0.000 0.646 324 V HN 0.356 nan 8.190 nan 0.000 0.447 325 I N 0.472 121.099 120.570 0.095 0.000 2.264 325 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 325 I C 2.621 178.826 176.117 0.146 0.000 1.111 325 I CA 1.538 62.913 61.300 0.125 0.000 1.382 325 I CB -0.533 37.511 38.000 0.074 0.000 1.060 325 I HN 0.301 nan 8.210 nan 0.000 0.418 326 A N 0.003 122.868 122.820 0.074 0.000 1.898 326 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 326 A C 2.235 179.884 177.584 0.108 0.000 1.181 326 A CA 1.715 53.803 52.037 0.085 0.000 0.620 326 A CB -0.598 18.404 19.000 0.002 0.000 0.819 326 A HN 0.407 nan 8.150 nan 0.000 0.442 327 Q N -1.298 118.512 119.800 0.016 0.000 2.061 327 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 327 Q C 1.855 177.565 176.000 -0.484 0.000 0.984 327 Q CA 2.377 58.065 55.803 -0.192 0.000 0.846 327 Q CB -0.630 28.055 28.738 -0.089 0.000 0.902 327 Q HN 0.701 nan 8.270 nan 0.000 0.421 328 Y N -0.261 119.837 120.300 -0.337 0.000 2.207 328 Y HA -0.281 4.269 4.550 -0.000 0.000 0.287 328 Y C 1.996 177.877 175.900 -0.032 0.000 1.156 328 Y CA 1.845 59.804 58.100 -0.234 0.000 1.182 328 Y CB -0.702 37.747 38.460 -0.018 0.000 0.979 328 Y HN 0.401 nan 8.280 nan 0.000 0.521 329 Y N 1.040 121.284 120.300 -0.092 0.000 2.114 329 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 329 Y C 2.236 178.095 175.900 -0.069 0.000 1.143 329 Y CA 2.222 60.259 58.100 -0.105 0.000 1.135 329 Y CB -0.580 37.865 38.460 -0.026 0.000 0.980 329 Y HN 0.057 nan 8.280 nan 0.000 0.499 330 E N 0.082 120.135 120.200 -0.246 0.000 2.118 330 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 330 E C 2.101 178.755 176.600 0.091 0.000 0.992 330 E CA 1.156 57.428 56.400 -0.213 0.000 0.804 330 E CB -0.578 29.155 29.700 0.055 0.000 0.741 330 E HN 0.469 nan 8.360 nan 0.000 0.458 331 F N 0.841 120.757 119.950 -0.057 0.000 2.075 331 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 331 F C 2.484 178.193 175.800 -0.151 0.000 1.113 331 F CA 0.667 58.651 58.000 -0.028 0.000 1.218 331 F CB -1.216 37.736 39.000 -0.081 0.000 0.984 331 F HN -0.007 nan 8.300 nan 0.000 0.472 332 L N -0.572 120.574 121.223 -0.128 0.000 2.083 332 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 332 L C 2.681 179.449 176.870 -0.170 0.000 1.083 332 L CA 1.232 55.956 54.840 -0.194 0.000 0.752 332 L CB -0.598 41.270 42.059 -0.318 0.000 0.899 332 L HN 0.103 nan 8.230 nan 0.000 0.433 333 R N 0.614 120.934 120.500 -0.299 0.000 2.119 333 R HA -0.047 4.293 4.340 -0.000 0.000 0.222 333 R C 1.951 178.146 176.300 -0.174 0.000 1.088 333 R CA 1.053 56.979 56.100 -0.290 0.000 0.984 333 R CB 0.138 30.081 30.300 -0.595 0.000 0.884 333 R HN 0.369 nan 8.270 nan 0.000 0.447 334 L N -0.910 120.233 121.223 -0.134 0.000 2.347 334 L HA 0.243 4.583 4.340 -0.000 0.000 0.196 334 L C 1.183 178.062 176.870 0.016 0.000 1.072 334 L CA 0.549 55.338 54.840 -0.085 0.000 0.817 334 L CB -0.494 41.438 42.059 -0.211 0.000 1.029 334 L HN 0.379 nan 8.230 nan 0.000 0.478 335 G N 0.329 109.192 108.800 0.105 0.000 2.804 335 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.230 335 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.230 335 G C 0.383 175.343 174.900 0.101 0.000 1.386 335 G CA 0.332 45.478 45.100 0.076 0.000 0.875 335 G HN 0.216 nan 8.290 nan 0.000 0.557 336 R N 0.007 120.564 120.500 0.094 0.000 2.096 336 R HA -0.100 4.240 4.340 -0.000 0.000 0.240 336 R C 2.636 178.986 176.300 0.083 0.000 1.139 336 R CA 2.099 58.298 56.100 0.165 0.000 0.952 336 R CB -0.385 30.042 30.300 0.211 0.000 0.854 336 R HN 0.763 nan 8.270 nan 0.000 0.436 337 E N -0.133 120.105 120.200 0.063 0.000 2.048 337 E HA -0.218 4.132 4.350 -0.000 0.000 0.202 337 E C 2.018 178.617 176.600 -0.002 0.000 1.021 337 E CA 1.733 58.156 56.400 0.038 0.000 0.825 337 E CB -0.333 29.382 29.700 0.026 0.000 0.756 337 E HN 0.433 nan 8.360 nan 0.000 0.454 338 G N -0.348 108.436 108.800 -0.026 0.000 2.480 338 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 338 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 338 G C 1.280 176.073 174.900 -0.177 0.000 1.200 338 G CA 1.239 46.282 45.100 -0.094 0.000 0.782 338 G HN 0.345 nan 8.290 nan 0.000 0.554 339 Y N 1.240 121.346 120.300 -0.323 0.000 2.114 339 Y HA -0.175 4.375 4.550 -0.000 0.000 0.282 339 Y C 3.447 179.134 175.900 -0.354 0.000 1.165 339 Y CA 1.945 59.727 58.100 -0.530 0.000 1.148 339 Y CB -0.759 36.846 38.460 -1.425 0.000 0.972 339 Y HN 0.162 nan 8.280 nan 0.000 0.504 340 T N 0.157 114.648 114.554 -0.105 0.000 2.635 340 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 340 T C 1.826 176.565 174.700 0.064 0.000 1.040 340 T CA 1.899 64.048 62.100 0.081 0.000 1.156 340 T CB -0.237 68.712 68.868 0.135 0.000 0.863 340 T HN 0.322 nan 8.240 nan 0.000 0.430 341 K N 0.559 120.967 120.400 0.013 0.000 2.063 341 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 341 K C 2.369 178.970 176.600 0.002 0.000 1.048 341 K CA 1.136 57.429 56.287 0.010 0.000 0.928 341 K CB -0.579 31.913 32.500 -0.013 0.000 0.713 341 K HN 0.208 nan 8.250 nan 0.000 0.442 342 V N 2.071 121.960 119.914 -0.041 0.000 2.295 342 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 342 V C 2.459 178.568 176.094 0.024 0.000 1.049 342 V CA 1.647 63.923 62.300 -0.039 0.000 1.024 342 V CB -0.527 31.226 31.823 -0.116 0.000 0.648 342 V HN 0.317 nan 8.190 nan 0.000 0.447 343 Q N 0.156 119.996 119.800 0.067 0.000 2.084 343 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 343 Q C 2.185 178.271 176.000 0.143 0.000 0.978 343 Q CA 1.385 57.258 55.803 0.116 0.000 0.844 343 Q CB -0.800 28.081 28.738 0.237 0.000 0.898 343 Q HN 0.628 nan 8.270 nan 0.000 0.426 344 N N 1.116 119.930 118.700 0.191 0.000 2.061 344 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 344 N C 1.754 177.349 175.510 0.141 0.000 1.030 344 N CA 1.593 54.770 53.050 0.210 0.000 0.856 344 N CB -0.407 38.159 38.487 0.132 0.000 1.023 344 N HN 0.299 nan 8.380 nan 0.000 0.424 345 A N 0.513 123.376 122.820 0.072 0.000 1.917 345 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 345 A C 2.576 180.186 177.584 0.042 0.000 1.182 345 A CA 2.037 54.094 52.037 0.033 0.000 0.633 345 A CB -0.801 18.199 19.000 0.001 0.000 0.819 345 A HN 0.295 nan 8.150 nan 0.000 0.448 346 S N -1.623 114.099 115.700 0.036 0.000 2.345 346 S HA -0.114 4.356 4.470 -0.000 0.000 0.220 346 S C 1.869 176.482 174.600 0.022 0.000 1.031 346 S CA 1.468 59.677 58.200 0.014 0.000 0.996 346 S CB -0.561 62.618 63.200 -0.035 0.000 0.882 346 S HN 0.631 nan 8.310 nan 0.000 0.445 347 Y N 2.052 122.386 120.300 0.057 0.000 2.165 347 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 347 Y C 2.715 178.631 175.900 0.028 0.000 1.155 347 Y CA 1.333 59.450 58.100 0.029 0.000 1.164 347 Y CB -0.775 37.695 38.460 0.017 0.000 0.978 347 Y HN 0.345 nan 8.280 nan 0.000 0.513 348 Q N -0.068 119.844 119.800 0.186 0.000 2.061 348 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 348 Q C 2.198 178.253 176.000 0.092 0.000 0.984 348 Q CA 2.311 58.176 55.803 0.103 0.000 0.846 348 Q CB -0.247 28.522 28.738 0.052 0.000 0.902 348 Q HN 0.361 nan 8.270 nan 0.000 0.421 349 V N 0.899 120.857 119.914 0.073 0.000 2.307 349 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 349 V C 2.428 178.606 176.094 0.140 0.000 1.045 349 V CA 1.701 64.046 62.300 0.075 0.000 1.024 349 V CB -1.118 30.707 31.823 0.004 0.000 0.651 349 V HN 0.535 nan 8.190 nan 0.000 0.449 350 A N 0.185 123.084 122.820 0.131 0.000 1.892 350 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 350 A C 2.446 180.075 177.584 0.075 0.000 1.188 350 A CA 2.550 54.657 52.037 0.117 0.000 0.631 350 A CB -0.977 18.096 19.000 0.121 0.000 0.822 350 A HN 0.600 nan 8.150 nan 0.000 0.447 351 A N -1.377 121.494 122.820 0.086 0.000 1.883 351 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 351 A C 2.165 179.749 177.584 -0.000 0.000 1.186 351 A CA 1.899 53.952 52.037 0.025 0.000 0.624 351 A CB -1.002 18.024 19.000 0.042 0.000 0.822 351 A HN 0.845 nan 8.150 nan 0.000 0.444 352 Y N 0.616 120.879 120.300 -0.062 0.000 2.081 352 Y HA -0.232 4.318 4.550 -0.000 0.000 0.280 352 Y C 2.002 177.838 175.900 -0.106 0.000 1.163 352 Y CA 2.057 60.107 58.100 -0.083 0.000 1.135 352 Y CB -0.478 37.936 38.460 -0.077 0.000 0.970 352 Y HN 0.219 nan 8.280 nan 0.000 0.498 353 L N -0.291 120.811 121.223 -0.203 0.000 2.046 353 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 353 L C 2.810 179.500 176.870 -0.300 0.000 1.077 353 L CA 1.157 55.813 54.840 -0.307 0.000 0.747 353 L CB -1.088 40.921 42.059 -0.083 0.000 0.896 353 L HN 0.387 nan 8.230 nan 0.000 0.432 354 A N 0.220 122.905 122.820 -0.224 0.000 1.908 354 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 354 A C 1.957 179.230 177.584 -0.519 0.000 1.181 354 A CA 2.250 54.078 52.037 -0.348 0.000 0.627 354 A CB -0.677 18.122 19.000 -0.336 0.000 0.818 354 A HN 0.503 nan 8.150 nan 0.000 0.445 355 D N -0.905 119.262 120.400 -0.389 0.000 2.097 355 D HA -0.151 4.488 4.640 -0.000 0.000 0.197 355 D C 1.914 178.029 176.300 -0.309 0.000 0.984 355 D CA 1.518 55.317 54.000 -0.335 0.000 0.826 355 D CB -0.091 40.570 40.800 -0.232 0.000 0.973 355 D HN 0.388 nan 8.370 nan 0.000 0.460 356 E N 0.023 119.985 120.200 -0.396 0.000 2.072 356 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 356 E C 2.464 178.892 176.600 -0.287 0.000 0.985 356 E CA 0.518 56.698 56.400 -0.367 0.000 0.801 356 E CB -0.165 29.198 29.700 -0.561 0.000 0.750 356 E HN 0.514 nan 8.360 nan 0.000 0.452 357 I N 1.198 121.565 120.570 -0.337 0.000 2.454 357 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 357 I C 2.432 178.524 176.117 -0.042 0.000 1.156 357 I CA 0.798 61.884 61.300 -0.357 0.000 1.433 357 I CB -0.318 37.318 38.000 -0.607 0.000 1.082 357 I HN -0.026 nan 8.210 nan 0.000 0.432 358 A N 1.157 124.017 122.820 0.068 0.000 2.019 358 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 358 A C 2.169 179.799 177.584 0.076 0.000 1.164 358 A CA 1.460 53.641 52.037 0.241 0.000 0.644 358 A CB -0.382 18.657 19.000 0.065 0.000 0.805 358 A HN 0.415 nan 8.150 nan 0.000 0.449 359 K N -0.363 120.028 120.400 -0.014 0.000 2.459 359 K HA 0.242 4.562 4.320 -0.000 0.000 0.193 359 K C 0.805 177.392 176.600 -0.022 0.000 1.030 359 K CA 0.316 56.584 56.287 -0.032 0.000 1.026 359 K CB 0.001 32.469 32.500 -0.053 0.000 0.809 359 K HN 0.458 nan 8.250 nan 0.000 0.504 360 L N -0.060 121.170 121.223 0.011 0.000 2.607 360 L HA 0.240 4.580 4.340 -0.000 0.000 0.228 360 L C 0.818 177.699 176.870 0.020 0.000 1.123 360 L CA -0.393 54.481 54.840 0.056 0.000 0.890 360 L CB 0.446 42.579 42.059 0.124 0.000 1.103 360 L HN 0.154 nan 8.230 nan 0.000 0.468 361 G N -0.026 108.638 108.800 -0.228 0.000 2.441 361 G HA2 0.266 4.226 3.960 -0.000 0.000 0.294 361 G HA3 0.266 4.226 3.960 -0.000 0.000 0.294 361 G C -2.943 171.473 174.900 -0.807 0.000 1.393 361 G CA -0.420 44.335 45.100 -0.576 0.000 0.796 361 G HN -0.283 nan 8.290 nan 0.000 0.494 362 P HA 0.301 nan 4.420 nan 0.000 0.225 362 P C -1.303 175.799 177.300 -0.329 0.000 1.813 362 P CA -0.027 62.836 63.100 -0.395 0.000 1.013 362 P CB -0.545 31.013 31.700 -0.237 0.000 1.961 363 Y N -0.585 119.680 120.300 -0.060 0.000 2.457 363 Y HA 0.502 5.052 4.550 -0.000 0.000 0.333 363 Y C 0.931 176.734 175.900 -0.162 0.000 1.119 363 Y CA -1.479 56.529 58.100 -0.154 0.000 1.143 363 Y CB 1.532 39.726 38.460 -0.443 0.000 1.230 363 Y HN 0.145 nan 8.280 nan 0.000 0.469 364 E N 2.055 122.266 120.200 0.018 0.000 2.155 364 E HA 0.379 4.729 4.350 -0.000 0.000 0.264 364 E C -1.665 174.930 176.600 -0.009 0.000 0.886 364 E CA -0.583 55.847 56.400 0.051 0.000 0.752 364 E CB 0.701 30.439 29.700 0.063 0.000 1.133 364 E HN 0.455 nan 8.360 nan 0.000 0.414 365 F N 3.977 124.004 119.950 0.129 0.000 2.412 365 F HA 0.232 4.759 4.527 -0.000 0.000 0.348 365 F C 1.293 177.155 175.800 0.104 0.000 1.102 365 F CA -0.139 57.941 58.000 0.133 0.000 1.196 365 F CB 0.692 39.736 39.000 0.073 0.000 1.144 365 F HN 0.540 nan 8.300 nan 0.000 0.541 366 I N 0.992 121.718 120.570 0.260 0.000 3.854 366 I HA 0.090 4.259 4.170 -0.000 0.000 0.312 366 I C 0.117 176.341 176.117 0.179 0.000 1.273 366 I CA 0.542 61.951 61.300 0.181 0.000 1.298 366 I CB 0.535 38.611 38.000 0.127 0.000 1.071 366 I HN 0.471 nan 8.210 nan 0.000 0.428 367 C N 0.650 120.083 119.300 0.223 0.000 2.811 367 C HA 0.412 4.872 4.460 -0.000 0.000 0.352 367 C C 0.913 176.006 174.990 0.171 0.000 1.098 367 C CA -0.230 58.881 59.018 0.155 0.000 1.295 367 C CB 1.041 28.851 27.740 0.116 0.000 1.758 367 C HN 0.464 nan 8.230 nan 0.000 0.488 368 T N 0.064 114.657 114.554 0.066 0.000 3.145 368 T HA 0.435 4.785 4.350 -0.000 0.000 0.281 368 T C 1.062 175.756 174.700 -0.010 0.000 1.003 368 T CA 0.701 62.786 62.100 -0.024 0.000 0.901 368 T CB 0.327 69.113 68.868 -0.137 0.000 1.112 368 T HN 2.246 nan 8.240 nan 0.000 0.535 369 G N 2.183 111.009 108.800 0.045 0.000 2.165 369 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.226 369 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.226 369 G C -0.131 174.802 174.900 0.054 0.000 1.035 369 G CA -0.712 44.459 45.100 0.118 0.000 0.744 369 G HN 0.615 nan 8.290 nan 0.000 0.501 370 R N 0.012 120.487 120.500 -0.041 0.000 2.202 370 R HA 0.343 4.683 4.340 -0.000 0.000 0.334 370 R C -1.463 174.664 176.300 -0.288 0.000 1.036 370 R CA -1.798 54.218 56.100 -0.141 0.000 0.878 370 R CB 1.120 31.378 30.300 -0.070 0.000 1.067 370 R HN 0.015 nan 8.270 nan 0.000 0.457 371 P HA -0.189 nan 4.420 nan 0.000 0.222 371 P C 0.170 177.385 177.300 -0.142 0.000 1.142 371 P CA 1.218 63.897 63.100 -0.702 0.000 0.788 371 P CB 0.204 31.483 31.700 -0.701 0.000 0.767 372 D N -1.606 118.766 120.400 -0.047 0.000 2.349 372 D HA -0.013 4.627 4.640 -0.000 0.000 0.214 372 D C 0.956 177.425 176.300 0.281 0.000 1.063 372 D CA 0.417 54.492 54.000 0.124 0.000 0.847 372 D CB -0.005 40.832 40.800 0.062 0.000 0.933 372 D HN 0.274 nan 8.370 nan 0.000 0.513 373 E N -0.167 120.139 120.200 0.176 0.000 2.467 373 E HA 0.344 4.694 4.350 -0.000 0.000 0.213 373 E C 1.017 177.540 176.600 -0.130 0.000 0.823 373 E CA 0.138 56.666 56.400 0.213 0.000 1.233 373 E CB 1.594 31.354 29.700 0.100 0.000 1.233 373 E HN 0.237 nan 8.360 nan 0.000 0.585 374 G N 1.621 110.125 108.800 -0.493 0.000 2.635 374 G HA2 0.413 4.373 3.960 -0.000 0.000 0.194 374 G HA3 0.413 4.373 3.960 -0.000 0.000 0.194 374 G C -1.288 173.064 174.900 -0.914 0.000 1.198 374 G CA -0.564 43.833 45.100 -1.171 0.000 0.972 374 G HN 0.093 nan 8.290 nan 0.000 0.520 375 I N -1.478 118.771 120.570 -0.535 0.000 2.947 375 I HA 0.679 4.849 4.170 -0.000 0.000 0.314 375 I C -2.457 173.589 176.117 -0.119 0.000 1.028 375 I CA -2.769 58.324 61.300 -0.346 0.000 1.077 375 I CB 2.310 40.088 38.000 -0.370 0.000 1.274 375 I HN 0.082 nan 8.210 nan 0.000 0.485 376 P HA 0.146 nan 4.420 nan 0.000 0.235 376 P C -0.871 176.395 177.300 -0.057 0.000 1.670 376 P CA 0.387 63.322 63.100 -0.273 0.000 1.017 376 P CB -0.394 31.024 31.700 -0.470 0.000 1.945 377 A N 0.560 123.378 122.820 -0.004 0.000 2.479 377 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 377 A C -1.005 176.622 177.584 0.073 0.000 1.121 377 A CA -0.616 51.426 52.037 0.008 0.000 0.743 377 A CB 1.601 20.585 19.000 -0.027 0.000 1.323 377 A HN -0.001 nan 8.150 nan 0.000 0.415 378 V N 0.495 120.472 119.914 0.105 0.000 2.349 378 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 378 V C -0.680 175.562 176.094 0.246 0.000 1.014 378 V CA -0.509 61.913 62.300 0.203 0.000 0.826 378 V CB 0.700 32.648 31.823 0.208 0.000 1.009 378 V HN 0.973 nan 8.190 nan 0.000 0.431 379 C N 7.864 127.329 119.300 0.275 0.000 2.408 379 C HA 0.960 5.420 4.460 -0.000 0.000 0.321 379 C C -0.685 174.428 174.990 0.205 0.000 1.245 379 C CA -0.698 58.407 59.018 0.147 0.000 1.523 379 C CB 0.165 27.970 27.740 0.108 0.000 2.178 379 C HN 0.863 nan 8.230 nan 0.000 0.488 380 F N 3.904 123.744 119.950 -0.183 0.000 2.713 380 F HA 0.798 5.325 4.527 -0.000 0.000 0.311 380 F C -1.109 174.491 175.800 -0.333 0.000 1.141 380 F CA -0.963 56.816 58.000 -0.368 0.000 0.939 380 F CB 1.013 39.469 39.000 -0.907 0.000 1.325 380 F HN 0.651 nan 8.300 nan 0.000 0.453 381 K N 1.423 121.765 120.400 -0.096 0.000 2.466 381 K HA 0.742 5.062 4.320 -0.000 0.000 0.260 381 K C -1.741 174.922 176.600 0.105 0.000 1.011 381 K CA -1.043 55.183 56.287 -0.101 0.000 0.871 381 K CB 2.425 34.859 32.500 -0.111 0.000 1.404 381 K HN 0.841 nan 8.250 nan 0.000 0.450 382 L N 2.084 123.366 121.223 0.099 0.000 2.397 382 L HA 0.245 4.585 4.340 -0.000 0.000 0.271 382 L C 0.388 177.288 176.870 0.050 0.000 1.148 382 L CA -0.608 54.321 54.840 0.148 0.000 0.825 382 L CB 0.566 42.667 42.059 0.070 0.000 1.117 382 L HN 0.585 nan 8.230 nan 0.000 0.456 383 K N 1.703 122.122 120.400 0.031 0.000 2.397 383 K HA 0.033 4.353 4.320 -0.000 0.000 0.265 383 K C -0.484 176.112 176.600 -0.007 0.000 0.982 383 K CA -0.405 55.887 56.287 0.008 0.000 0.931 383 K CB 0.320 32.816 32.500 -0.006 0.000 0.943 383 K HN 0.498 nan 8.250 nan 0.000 0.501 384 D N 0.529 120.926 120.400 -0.005 0.000 2.424 384 D HA 0.020 4.660 4.640 -0.000 0.000 0.244 384 D C 1.152 177.442 176.300 -0.016 0.000 1.134 384 D CA 0.928 54.922 54.000 -0.010 0.000 0.881 384 D CB 0.925 41.722 40.800 -0.005 0.000 1.191 384 D HN 0.815 nan 8.370 nan 0.000 0.445 385 G N 1.824 110.612 108.800 -0.020 0.000 2.189 385 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 385 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 385 G C 0.251 175.130 174.900 -0.034 0.000 0.975 385 G CA 0.178 45.264 45.100 -0.023 0.000 0.644 385 G HN 0.544 nan 8.290 nan 0.000 0.537 386 E N 0.354 120.527 120.200 -0.044 0.000 2.227 386 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 386 E C -0.989 175.559 176.600 -0.086 0.000 0.990 386 E CA -0.542 55.819 56.400 -0.065 0.000 0.856 386 E CB 1.706 31.362 29.700 -0.074 0.000 1.159 386 E HN 0.187 nan 8.360 nan 0.000 0.401 387 D N 2.030 122.363 120.400 -0.112 0.000 2.351 387 D HA 0.124 4.764 4.640 -0.000 0.000 0.235 387 D C -1.900 174.288 176.300 -0.187 0.000 1.331 387 D CA -1.041 52.874 54.000 -0.142 0.000 0.959 387 D CB 1.117 41.863 40.800 -0.089 0.000 1.432 387 D HN 0.169 nan 8.370 nan 0.000 0.544 388 P HA 0.205 nan 4.420 nan 0.000 0.241 388 P C 0.891 178.023 177.300 -0.280 0.000 1.191 388 P CA 0.769 63.664 63.100 -0.343 0.000 0.771 388 P CB 0.667 32.034 31.700 -0.556 0.000 0.929 389 G N -0.517 108.123 108.800 -0.268 0.000 2.192 389 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.193 389 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.193 389 G C -0.189 174.728 174.900 0.028 0.000 0.999 389 G CA -0.073 44.983 45.100 -0.074 0.000 0.659 389 G HN 0.533 nan 8.290 nan 0.000 0.503 390 Y N 0.052 120.387 120.300 0.058 0.000 2.562 390 Y HA 0.807 5.357 4.550 -0.000 0.000 0.345 390 Y C 0.066 176.008 175.900 0.069 0.000 1.045 390 Y CA -1.039 57.103 58.100 0.070 0.000 1.028 390 Y CB 0.674 39.182 38.460 0.080 0.000 1.297 390 Y HN 0.525 nan 8.280 nan 0.000 0.463 391 T N -0.695 114.036 114.554 0.294 0.000 2.927 391 T HA 0.380 4.730 4.350 -0.000 0.000 0.281 391 T C 0.722 175.566 174.700 0.241 0.000 0.998 391 T CA -0.926 61.291 62.100 0.195 0.000 1.019 391 T CB 1.146 70.132 68.868 0.197 0.000 1.061 391 T HN 0.885 nan 8.240 nan 0.000 0.518 392 L N 0.332 121.578 121.223 0.038 0.000 2.353 392 L HA -0.044 4.296 4.340 -0.000 0.000 0.220 392 L C 1.926 178.727 176.870 -0.115 0.000 1.133 392 L CA 1.086 55.883 54.840 -0.071 0.000 0.798 392 L CB -0.550 41.330 42.059 -0.298 0.000 0.922 392 L HN 0.724 nan 8.230 nan 0.000 0.445 393 Y N 0.087 120.400 120.300 0.022 0.000 2.153 393 Y HA -0.215 4.334 4.550 -0.000 0.000 0.289 393 Y C 2.518 178.424 175.900 0.009 0.000 1.127 393 Y CA 0.934 59.038 58.100 0.008 0.000 1.131 393 Y CB -0.570 37.902 38.460 0.020 0.000 0.995 393 Y HN 0.213 nan 8.280 nan 0.000 0.505 394 D N 0.025 120.554 120.400 0.215 0.000 2.133 394 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 394 D C 2.196 178.511 176.300 0.025 0.000 0.997 394 D CA 1.316 55.390 54.000 0.124 0.000 0.840 394 D CB -0.607 40.285 40.800 0.155 0.000 0.947 394 D HN 0.235 nan 8.370 nan 0.000 0.452 395 L N 0.770 121.975 121.223 -0.030 0.000 2.127 395 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 395 L C 2.299 179.060 176.870 -0.182 0.000 1.089 395 L CA 1.436 56.153 54.840 -0.206 0.000 0.757 395 L CB -0.638 41.250 42.059 -0.284 0.000 0.899 395 L HN -0.109 nan 8.230 nan 0.000 0.434 396 S N -0.827 114.828 115.700 -0.075 0.000 2.345 396 S HA -0.237 4.233 4.470 -0.000 0.000 0.219 396 S C 2.043 176.637 174.600 -0.010 0.000 1.031 396 S CA 1.261 59.439 58.200 -0.037 0.000 0.984 396 S CB -0.365 62.854 63.200 0.032 0.000 0.874 396 S HN 0.642 nan 8.310 nan 0.000 0.451 397 E N 0.528 120.737 120.200 0.014 0.000 2.147 397 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 397 E C 2.237 178.823 176.600 -0.023 0.000 1.005 397 E CA 1.253 57.658 56.400 0.008 0.000 0.810 397 E CB -0.088 29.623 29.700 0.017 0.000 0.736 397 E HN 0.427 nan 8.360 nan 0.000 0.460 398 R N -0.202 120.263 120.500 -0.057 0.000 2.148 398 R HA -0.045 4.295 4.340 -0.000 0.000 0.223 398 R C 2.418 178.688 176.300 -0.050 0.000 1.088 398 R CA 0.789 56.833 56.100 -0.093 0.000 0.985 398 R CB -0.125 30.096 30.300 -0.130 0.000 0.880 398 R HN 0.334 nan 8.270 nan 0.000 0.451 399 L N -0.105 121.103 121.223 -0.025 0.000 2.313 399 L HA -0.025 4.315 4.340 -0.000 0.000 0.214 399 L C 2.482 179.468 176.870 0.193 0.000 1.119 399 L CA 0.589 55.482 54.840 0.089 0.000 0.809 399 L CB -0.211 41.860 42.059 0.021 0.000 0.933 399 L HN -0.009 nan 8.230 nan 0.000 0.449 400 R N 0.942 121.498 120.500 0.092 0.000 2.115 400 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 400 R C 2.026 178.345 176.300 0.032 0.000 1.111 400 R CA 1.245 57.388 56.100 0.072 0.000 0.976 400 R CB -0.486 29.836 30.300 0.037 0.000 0.870 400 R HN 0.262 nan 8.270 nan 0.000 0.445 401 L N 0.094 121.323 121.223 0.010 0.000 2.450 401 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 401 L C 1.503 178.365 176.870 -0.013 0.000 1.149 401 L CA 0.914 55.739 54.840 -0.025 0.000 0.816 401 L CB -0.178 41.839 42.059 -0.071 0.000 0.932 401 L HN 0.122 nan 8.230 nan 0.000 0.449 402 R N -0.488 120.035 120.500 0.039 0.000 2.472 402 R HA 0.217 4.557 4.340 -0.000 0.000 0.279 402 R C 1.163 177.349 176.300 -0.190 0.000 0.953 402 R CA 0.703 56.807 56.100 0.007 0.000 1.088 402 R CB 0.868 31.288 30.300 0.200 0.000 1.197 402 R HN 0.341 nan 8.270 nan 0.000 0.536 403 G N 0.541 109.259 108.800 -0.136 0.000 2.175 403 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 403 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 403 G C -0.251 174.519 174.900 -0.217 0.000 0.982 403 G CA -0.128 44.847 45.100 -0.208 0.000 0.641 403 G HN 0.291 nan 8.290 nan 0.000 0.527 404 W N 1.062 122.364 121.300 0.004 0.000 2.218 404 W HA 0.624 5.284 4.660 -0.000 0.000 0.326 404 W C 0.861 177.365 176.519 -0.025 0.000 1.276 404 W CA -0.415 56.921 57.345 -0.014 0.000 1.210 404 W CB 0.645 30.100 29.460 -0.009 0.000 1.143 404 W HN 0.068 nan 8.180 nan 0.000 0.563 405 Q N 2.387 122.329 119.800 0.236 0.000 2.508 405 Q HA 0.329 4.669 4.340 -0.000 0.000 0.247 405 Q C -1.112 174.949 176.000 0.101 0.000 1.047 405 Q CA -0.480 55.398 55.803 0.123 0.000 0.783 405 Q CB 1.431 30.210 28.738 0.067 0.000 1.172 405 Q HN 0.241 nan 8.270 nan 0.000 0.515 406 V N 4.620 124.589 119.914 0.092 0.000 2.304 406 V HA 0.308 4.428 4.120 -0.000 0.000 0.278 406 V C -1.907 174.222 176.094 0.059 0.000 1.018 406 V CA -1.786 60.544 62.300 0.050 0.000 0.814 406 V CB 0.795 32.631 31.823 0.023 0.000 1.021 406 V HN 0.575 nan 8.190 nan 0.000 0.440 407 P HA 0.295 nan 4.420 nan 0.000 0.269 407 P C -0.615 176.774 177.300 0.149 0.000 1.209 407 P CA 0.073 63.284 63.100 0.185 0.000 0.776 407 P CB 1.427 33.288 31.700 0.268 0.000 0.876 408 A N 3.648 126.577 122.820 0.181 0.000 2.357 408 A HA 0.748 5.068 4.320 -0.000 0.000 0.295 408 A C -0.783 176.902 177.584 0.169 0.000 1.121 408 A CA -0.528 51.466 52.037 -0.073 0.000 0.742 408 A CB 0.475 19.383 19.000 -0.154 0.000 1.181 408 A HN 0.528 nan 8.150 nan 0.000 0.454 409 F N -0.173 119.766 119.950 -0.020 0.000 2.715 409 F HA 0.853 5.380 4.527 -0.000 0.000 0.318 409 F C 0.014 175.836 175.800 0.036 0.000 1.141 409 F CA -0.566 57.497 58.000 0.105 0.000 0.950 409 F CB 1.170 40.240 39.000 0.115 0.000 1.374 409 F HN 0.461 nan 8.300 nan 0.000 0.477 410 T N 0.423 115.158 114.554 0.303 0.000 2.875 410 T HA 0.661 5.011 4.350 -0.000 0.000 0.284 410 T C -0.210 174.634 174.700 0.239 0.000 0.995 410 T CA -0.684 61.508 62.100 0.153 0.000 1.060 410 T CB 0.895 69.851 68.868 0.148 0.000 0.967 410 T HN 0.761 nan 8.240 nan 0.000 0.476 411 L N 2.120 123.411 121.223 0.114 0.000 2.475 411 L HA 0.567 4.907 4.340 -0.000 0.000 0.250 411 L C 1.476 178.357 176.870 0.020 0.000 1.224 411 L CA -0.518 54.383 54.840 0.102 0.000 0.821 411 L CB 0.034 42.120 42.059 0.045 0.000 1.141 411 L HN 0.977 nan 8.230 nan 0.000 0.494 412 G N -1.721 107.035 108.800 -0.073 0.000 2.857 412 G HA2 0.545 4.505 3.960 -0.000 0.000 0.217 412 G HA3 0.545 4.505 3.960 -0.000 0.000 0.217 412 G C 0.268 175.132 174.900 -0.061 0.000 1.357 412 G CA -0.114 44.935 45.100 -0.085 0.000 1.033 412 G HN 0.965 nan 8.290 nan 0.000 0.571 413 G N -0.093 108.674 108.800 -0.054 0.000 2.629 413 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.313 413 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.313 413 G C 0.733 175.616 174.900 -0.028 0.000 1.217 413 G CA 0.892 45.969 45.100 -0.038 0.000 0.994 413 G HN 0.738 nan 8.290 nan 0.000 0.549 414 E N 1.469 121.651 120.200 -0.031 0.000 2.394 414 E HA 0.503 4.853 4.350 -0.000 0.000 0.191 414 E C 1.258 177.845 176.600 -0.021 0.000 1.044 414 E CA 0.424 56.810 56.400 -0.025 0.000 0.939 414 E CB 0.332 30.014 29.700 -0.029 0.000 1.089 414 E HN 0.785 nan 8.360 nan 0.000 0.456 415 A N 0.476 123.284 122.820 -0.020 0.000 2.610 415 A HA 0.048 4.368 4.320 -0.000 0.000 0.291 415 A C 1.638 179.218 177.584 -0.006 0.000 1.116 415 A CA -0.261 51.768 52.037 -0.013 0.000 0.963 415 A CB -0.349 18.643 19.000 -0.013 0.000 1.220 415 A HN 0.233 nan 8.150 nan 0.000 0.530 416 T N -1.659 112.894 114.554 -0.002 0.000 2.996 416 T HA -0.153 4.197 4.350 -0.000 0.000 0.271 416 T C 0.767 175.479 174.700 0.020 0.000 1.126 416 T CA 1.608 63.715 62.100 0.012 0.000 1.103 416 T CB -0.500 68.374 68.868 0.010 0.000 0.870 416 T HN 0.497 nan 8.240 nan 0.000 0.528 417 D N 0.032 120.438 120.400 0.009 0.000 2.369 417 D HA 0.219 4.859 4.640 -0.000 0.000 0.211 417 D C 0.348 176.646 176.300 -0.005 0.000 1.077 417 D CA -0.437 53.569 54.000 0.011 0.000 0.842 417 D CB -0.268 40.536 40.800 0.007 0.000 0.947 417 D HN 0.455 nan 8.370 nan 0.000 0.509 418 I N 1.262 121.822 120.570 -0.018 0.000 2.325 418 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 418 I C -0.450 175.611 176.117 -0.094 0.000 1.019 418 I CA -0.831 60.439 61.300 -0.049 0.000 1.302 418 I CB 1.895 39.869 38.000 -0.043 0.000 1.401 418 I HN -0.241 nan 8.210 nan 0.000 0.485 419 V N 7.940 127.762 119.914 -0.154 0.000 2.370 419 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 419 V C 0.076 175.929 176.094 -0.401 0.000 1.029 419 V CA -0.417 61.710 62.300 -0.287 0.000 0.870 419 V CB 1.858 33.468 31.823 -0.354 0.000 0.984 419 V HN 0.536 nan 8.190 nan 0.000 0.451 420 V N 3.673 123.241 119.914 -0.576 0.000 3.046 420 V HA 0.759 4.879 4.120 -0.000 0.000 0.316 420 V C -0.522 175.056 176.094 -0.860 0.000 1.104 420 V CA -0.978 60.919 62.300 -0.672 0.000 1.006 420 V CB 2.116 33.592 31.823 -0.577 0.000 1.058 420 V HN 0.849 nan 8.190 nan 0.000 0.440 421 M N 2.858 121.940 119.600 -0.864 0.000 2.393 421 M HA 0.660 5.140 4.480 -0.000 0.000 0.316 421 M C -0.897 175.092 176.300 -0.518 0.000 1.087 421 M CA -0.693 54.169 55.300 -0.731 0.000 0.937 421 M CB 1.823 33.857 32.600 -0.943 0.000 1.668 421 M HN 0.958 nan 8.290 nan 0.000 0.438 422 R N 5.603 126.000 120.500 -0.171 0.000 2.502 422 R HA 0.575 4.915 4.340 -0.000 0.000 0.300 422 R C -2.030 174.288 176.300 0.030 0.000 0.984 422 R CA -0.447 55.657 56.100 0.006 0.000 0.882 422 R CB 1.285 31.708 30.300 0.205 0.000 1.180 422 R HN 0.841 nan 8.270 nan 0.000 0.444 423 I N 4.969 125.557 120.570 0.030 0.000 2.321 423 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 423 I C -0.155 175.920 176.117 -0.070 0.000 0.998 423 I CA -0.872 60.420 61.300 -0.013 0.000 1.227 423 I CB 1.749 39.775 38.000 0.043 0.000 1.368 423 I HN 0.485 nan 8.210 nan 0.000 0.466 424 M N 6.680 126.171 119.600 -0.182 0.000 2.209 424 M HA 0.315 4.795 4.480 -0.000 0.000 0.355 424 M C -0.954 175.210 176.300 -0.227 0.000 1.171 424 M CA -0.053 55.086 55.300 -0.267 0.000 1.069 424 M CB 0.746 33.083 32.600 -0.438 0.000 1.622 424 M HN 0.565 nan 8.290 nan 0.000 0.459 425 C N 5.950 125.204 119.300 -0.076 0.000 2.288 425 C HA 0.503 4.963 4.460 -0.000 0.000 0.328 425 C C 0.538 175.580 174.990 0.087 0.000 1.071 425 C CA -0.953 58.118 59.018 0.089 0.000 1.594 425 C CB -1.244 26.620 27.740 0.206 0.000 1.700 425 C HN 0.827 nan 8.230 nan 0.000 0.436 426 R N 0.880 121.380 120.500 0.001 0.000 2.580 426 R HA 0.403 4.743 4.340 -0.000 0.000 0.267 426 R C 0.640 176.993 176.300 0.090 0.000 1.125 426 R CA -0.680 55.413 56.100 -0.010 0.000 1.188 426 R CB 0.709 30.944 30.300 -0.108 0.000 1.155 426 R HN 0.613 nan 8.270 nan 0.000 0.586 427 R N 0.063 120.606 120.500 0.072 0.000 2.537 427 R HA 0.069 4.409 4.340 -0.000 0.000 0.280 427 R C 0.268 176.618 176.300 0.084 0.000 1.058 427 R CA 1.268 57.416 56.100 0.078 0.000 1.057 427 R CB 0.155 30.511 30.300 0.093 0.000 0.973 427 R HN 0.878 nan 8.270 nan 0.000 0.438 428 G N 3.336 112.142 108.800 0.010 0.000 2.144 428 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 428 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 428 G C -0.491 174.561 174.900 0.253 0.000 0.988 428 G CA -0.001 45.081 45.100 -0.030 0.000 0.659 428 G HN 0.572 nan 8.290 nan 0.000 0.522 429 F N 3.289 123.279 119.950 0.066 0.000 2.471 429 F HA 0.431 4.958 4.527 -0.000 0.000 0.318 429 F C 0.730 176.581 175.800 0.086 0.000 1.308 429 F CA -1.672 56.393 58.000 0.109 0.000 1.162 429 F CB 0.074 39.069 39.000 -0.007 0.000 1.383 429 F HN 0.320 nan 8.300 nan 0.000 0.552 430 E N 1.127 121.350 120.200 0.039 0.000 2.428 430 E HA -0.075 4.275 4.350 -0.000 0.000 0.257 430 E C 1.220 177.701 176.600 -0.198 0.000 1.197 430 E CA -0.284 56.067 56.400 -0.081 0.000 0.974 430 E CB 0.610 30.271 29.700 -0.064 0.000 0.976 430 E HN 0.527 nan 8.360 nan 0.000 0.463 431 M N 1.264 120.747 119.600 -0.194 0.000 2.110 431 M HA -0.252 4.228 4.480 -0.000 0.000 0.257 431 M C 1.668 177.842 176.300 -0.209 0.000 1.071 431 M CA 2.731 57.874 55.300 -0.262 0.000 1.096 431 M CB -0.919 31.517 32.600 -0.273 0.000 1.300 431 M HN 0.800 nan 8.290 nan 0.000 0.411 432 D N -1.052 119.275 120.400 -0.122 0.000 2.133 432 D HA -0.232 4.408 4.640 -0.000 0.000 0.195 432 D C 1.819 178.159 176.300 0.066 0.000 0.997 432 D CA 1.407 55.379 54.000 -0.047 0.000 0.840 432 D CB -0.289 40.487 40.800 -0.040 0.000 0.947 432 D HN 0.413 nan 8.370 nan 0.000 0.452 433 F N 1.112 120.982 119.950 -0.133 0.000 2.113 433 F HA 0.063 4.590 4.527 -0.000 0.000 0.297 433 F C 2.230 177.966 175.800 -0.106 0.000 1.103 433 F CA 1.269 59.243 58.000 -0.044 0.000 1.248 433 F CB -1.074 37.917 39.000 -0.015 0.000 0.999 433 F HN 0.052 nan 8.300 nan 0.000 0.475 434 A N -0.041 122.531 122.820 -0.413 0.000 1.972 434 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 434 A C 2.077 179.587 177.584 -0.122 0.000 1.169 434 A CA 1.723 53.392 52.037 -0.613 0.000 0.635 434 A CB -0.884 17.671 19.000 -0.742 0.000 0.810 434 A HN 0.475 nan 8.150 nan 0.000 0.446 435 E N 0.451 120.648 120.200 -0.005 0.000 2.085 435 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 435 E C 1.759 178.422 176.600 0.105 0.000 0.994 435 E CA 1.403 57.861 56.400 0.097 0.000 0.801 435 E CB -0.452 29.285 29.700 0.062 0.000 0.743 435 E HN 0.592 nan 8.360 nan 0.000 0.453 436 L N 0.017 121.346 121.223 0.176 0.000 2.083 436 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 436 L C 2.517 179.508 176.870 0.201 0.000 1.083 436 L CA 0.848 55.852 54.840 0.274 0.000 0.752 436 L CB -0.577 41.774 42.059 0.487 0.000 0.899 436 L HN 0.312 nan 8.230 nan 0.000 0.433 437 L N -0.022 121.174 121.223 -0.044 0.000 2.017 437 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 437 L C 2.373 179.116 176.870 -0.211 0.000 1.073 437 L CA 1.612 56.113 54.840 -0.566 0.000 0.745 437 L CB -0.631 40.957 42.059 -0.786 0.000 0.894 437 L HN 0.088 nan 8.230 nan 0.000 0.432 438 L N -0.011 121.160 121.223 -0.087 0.000 1.990 438 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 438 L C 2.448 179.348 176.870 0.051 0.000 1.072 438 L CA 2.045 56.864 54.840 -0.035 0.000 0.755 438 L CB -0.837 41.199 42.059 -0.039 0.000 0.889 438 L HN 0.440 nan 8.230 nan 0.000 0.432 439 E N -0.618 119.623 120.200 0.068 0.000 2.049 439 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 439 E C 1.828 178.492 176.600 0.106 0.000 1.007 439 E CA 1.621 58.077 56.400 0.093 0.000 0.809 439 E CB -0.231 29.535 29.700 0.110 0.000 0.749 439 E HN 0.601 nan 8.360 nan 0.000 0.450 440 D N -0.463 120.004 120.400 0.111 0.000 2.219 440 D HA -0.153 4.487 4.640 -0.000 0.000 0.205 440 D C 1.653 177.984 176.300 0.052 0.000 0.970 440 D CA 0.754 54.817 54.000 0.105 0.000 0.851 440 D CB -0.123 40.788 40.800 0.185 0.000 0.943 440 D HN 0.210 nan 8.370 nan 0.000 0.488 441 Y N 2.063 122.320 120.300 -0.072 0.000 2.133 441 Y HA -0.147 4.403 4.550 -0.000 0.000 0.287 441 Y C 2.218 178.099 175.900 -0.032 0.000 1.134 441 Y CA 1.392 59.446 58.100 -0.076 0.000 1.133 441 Y CB 0.061 38.460 38.460 -0.102 0.000 0.987 441 Y HN -0.198 nan 8.280 nan 0.000 0.502 442 K N -0.261 120.287 120.400 0.248 0.000 2.032 442 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 442 K C 2.330 178.993 176.600 0.105 0.000 1.048 442 K CA 1.311 57.699 56.287 0.167 0.000 0.927 442 K CB -0.521 32.045 32.500 0.110 0.000 0.712 442 K HN 0.355 nan 8.250 nan 0.000 0.441 443 A N 1.320 124.192 122.820 0.088 0.000 1.908 443 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 443 A C 2.271 179.893 177.584 0.062 0.000 1.181 443 A CA 2.105 54.188 52.037 0.077 0.000 0.627 443 A CB -0.643 18.401 19.000 0.073 0.000 0.818 443 A HN 0.211 nan 8.150 nan 0.000 0.445 444 S N -0.208 115.488 115.700 -0.007 0.000 2.368 444 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 444 S C 1.840 176.412 174.600 -0.047 0.000 1.030 444 S CA 1.398 59.558 58.200 -0.065 0.000 0.999 444 S CB -0.478 62.593 63.200 -0.215 0.000 0.844 444 S HN 0.511 nan 8.310 nan 0.000 0.459 445 L N 1.200 122.378 121.223 -0.075 0.000 1.989 445 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 445 L C 2.536 179.439 176.870 0.056 0.000 1.071 445 L CA 1.605 56.407 54.840 -0.064 0.000 0.749 445 L CB -0.545 41.537 42.059 0.039 0.000 0.890 445 L HN 0.260 nan 8.230 nan 0.000 0.431 446 K N -0.333 120.122 120.400 0.092 0.000 2.059 446 K HA -0.300 4.020 4.320 -0.000 0.000 0.212 446 K C 2.167 178.859 176.600 0.153 0.000 1.050 446 K CA 1.942 58.297 56.287 0.113 0.000 0.927 446 K CB -0.599 31.969 32.500 0.114 0.000 0.714 446 K HN 0.192 nan 8.250 nan 0.000 0.447 447 Y N 0.685 121.022 120.300 0.062 0.000 2.145 447 Y HA -0.153 4.397 4.550 -0.000 0.000 0.286 447 Y C 1.756 177.750 175.900 0.156 0.000 1.145 447 Y CA 1.902 60.066 58.100 0.107 0.000 1.148 447 Y CB -0.152 38.312 38.460 0.007 0.000 0.981 447 Y HN 0.039 nan 8.280 nan 0.000 0.507 448 L N -0.737 120.635 121.223 0.248 0.000 2.127 448 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 448 L C 2.791 179.756 176.870 0.158 0.000 1.089 448 L CA 1.615 56.570 54.840 0.190 0.000 0.757 448 L CB -0.682 41.440 42.059 0.105 0.000 0.899 448 L HN 0.296 nan 8.230 nan 0.000 0.434 449 S N -0.072 115.706 115.700 0.130 0.000 2.345 449 S HA -0.184 4.286 4.470 -0.000 0.000 0.219 449 S C 1.486 176.093 174.600 0.011 0.000 1.031 449 S CA 1.540 59.797 58.200 0.094 0.000 0.984 449 S CB -0.164 63.087 63.200 0.086 0.000 0.874 449 S HN 0.395 nan 8.310 nan 0.000 0.451 450 D N 0.400 120.779 120.400 -0.036 0.000 2.378 450 D HA 0.074 4.714 4.640 -0.000 0.000 0.227 450 D C -0.254 175.748 176.300 -0.495 0.000 1.012 450 D CA 0.762 54.633 54.000 -0.215 0.000 0.905 450 D CB -0.132 40.538 40.800 -0.215 0.000 0.895 450 D HN 0.582 nan 8.370 nan 0.000 0.532 451 H N -1.826 117.123 119.070 -0.203 0.000 2.429 451 H HA 0.228 4.784 4.556 -0.000 0.000 0.231 451 H C -1.835 173.461 175.328 -0.053 0.000 1.416 451 H CA -1.384 54.558 56.048 -0.176 0.000 1.443 451 H CB 1.185 30.746 29.762 -0.335 0.000 1.591 451 H HN -0.111 nan 8.280 nan 0.000 0.507 452 P HA -0.223 nan 4.420 nan 0.000 0.218 452 P C 1.356 178.696 177.300 0.066 0.000 1.146 452 P CA 1.313 64.442 63.100 0.048 0.000 0.820 452 P CB 0.420 32.126 31.700 0.011 0.000 0.778 453 K N -0.839 119.602 120.400 0.067 0.000 2.113 453 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 453 K C 1.109 177.759 176.600 0.083 0.000 1.047 453 K CA 0.817 57.144 56.287 0.068 0.000 0.928 453 K CB -0.682 31.860 32.500 0.069 0.000 0.716 453 K HN 0.213 nan 8.250 nan 0.000 0.446 454 L N 0.000 121.289 121.223 0.111 0.000 2.949 454 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 454 L CA 0.000 54.912 54.840 0.120 0.000 0.813 454 L CB 0.000 42.149 42.059 0.150 0.000 0.961 454 L HN 0.000 nan 8.230 nan 0.000 0.502