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 1z2l_1_A DATA FIRST_RESID 3 DATA SEQUENCE LITHFRQAIE ETLPWLSSFG ADPAGGMTRL LYSPEWLETQ QQFKKRMAAS DATA SEQUENCE GLETRFDEVG NLYGRLNGTE YPQEVVLSGS HIDTVVNGGN LDGQFGALAA DATA SEQUENCE WLAIDWLKTQ YGAPLRTVEV VAMAEEEGSR FPYVFWGSKN IFGLANPDDV DATA SEQUENCE RNICDAKGNS FVDAMKACGF TLPNAPLTPR QDIKAFVELH IEQGCVLESN DATA SEQUENCE GQSIGVVNAI VGQRRYTVTL NGESNHAGTT PMGYRRDTVY AFSRICHQSV DATA SEQUENCE EKAKRMGDPL VLTFGKVEPR PNTVNVVPGK TTFTIDCRHT DAAVLRDFTQ DATA SEQUENCE QLENDMRAIC DEMDIGIDID LWMDEEPVPM NKELVATLTE LCEREKLNYR DATA SEQUENCE VMHSGAGHDA QIFAPRVPTC MIFIPSINGI SHNPAERTNI TDLAEGVKTL DATA SEQUENCE ALMLYQLAWQ K 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 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.745 176.870 -0.208 0.000 1.165 3 L CA 0.000 54.648 54.840 -0.321 0.000 0.813 3 L CB 0.000 41.849 42.059 -0.350 0.000 0.961 4 I N 0.548 121.080 120.570 -0.064 0.000 2.151 4 I HA -0.284 3.885 4.170 -0.000 0.000 0.243 4 I C 2.321 178.450 176.117 0.020 0.000 1.080 4 I CA 2.385 63.699 61.300 0.024 0.000 1.339 4 I CB -1.420 36.588 38.000 0.014 0.000 1.039 4 I HN 0.480 nan 8.210 nan 0.000 0.409 5 T N -0.472 114.073 114.554 -0.016 0.000 2.915 5 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 5 T C 1.993 176.669 174.700 -0.040 0.000 1.071 5 T CA 1.286 63.375 62.100 -0.019 0.000 1.132 5 T CB -0.352 68.502 68.868 -0.023 0.000 0.878 5 T HN 0.379 nan 8.240 nan 0.000 0.479 6 H N -0.531 118.421 119.070 -0.197 0.000 2.333 6 H HA -0.005 4.551 4.556 -0.000 0.000 0.302 6 H C 1.810 176.985 175.328 -0.255 0.000 1.075 6 H CA 1.463 57.341 56.048 -0.283 0.000 1.348 6 H CB -0.421 29.054 29.762 -0.479 0.000 1.393 6 H HN 0.436 nan 8.280 nan 0.000 0.509 7 F N 1.400 121.336 119.950 -0.024 0.000 2.293 7 F HA -0.027 4.500 4.527 -0.000 0.000 0.300 7 F C 2.956 178.718 175.800 -0.062 0.000 1.086 7 F CA 0.966 58.930 58.000 -0.060 0.000 1.375 7 F CB -0.527 38.428 39.000 -0.075 0.000 1.045 7 F HN 0.137 nan 8.300 nan 0.000 0.516 8 R N 0.421 120.986 120.500 0.110 0.000 2.083 8 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 8 R C 2.284 178.595 176.300 0.019 0.000 1.137 8 R CA 1.892 58.029 56.100 0.062 0.000 0.951 8 R CB -0.472 29.844 30.300 0.028 0.000 0.851 8 R HN 0.344 nan 8.270 nan 0.000 0.434 9 Q N -0.349 119.421 119.800 -0.050 0.000 2.124 9 Q HA -0.147 4.192 4.340 -0.000 0.000 0.202 9 Q C 1.929 177.887 176.000 -0.071 0.000 0.977 9 Q CA 1.605 57.360 55.803 -0.079 0.000 0.850 9 Q CB -0.102 28.547 28.738 -0.149 0.000 0.901 9 Q HN 0.497 nan 8.270 nan 0.000 0.429 10 A N 0.775 123.537 122.820 -0.097 0.000 1.902 10 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 10 A C 1.962 179.575 177.584 0.048 0.000 1.181 10 A CA 1.346 53.356 52.037 -0.045 0.000 0.623 10 A CB -0.652 18.341 19.000 -0.011 0.000 0.818 10 A HN 0.465 nan 8.150 nan 0.000 0.443 11 I N -0.875 119.750 120.570 0.092 0.000 2.179 11 I HA -0.250 3.919 4.170 -0.000 0.000 0.242 11 I C 2.510 178.699 176.117 0.121 0.000 1.088 11 I CA 1.790 63.176 61.300 0.143 0.000 1.357 11 I CB -0.351 37.762 38.000 0.189 0.000 1.051 11 I HN 0.467 nan 8.210 nan 0.000 0.409 12 E N 0.916 121.161 120.200 0.076 0.000 2.209 12 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 12 E C 1.923 178.563 176.600 0.067 0.000 0.993 12 E CA 1.296 57.732 56.400 0.059 0.000 0.819 12 E CB 0.154 29.871 29.700 0.029 0.000 0.745 12 E HN 0.509 nan 8.360 nan 0.000 0.477 13 E N -1.105 119.134 120.200 0.065 0.000 2.140 13 E HA -0.073 4.276 4.350 -0.000 0.000 0.191 13 E C 2.123 178.803 176.600 0.133 0.000 0.973 13 E CA 1.422 57.864 56.400 0.069 0.000 0.829 13 E CB 0.210 29.926 29.700 0.027 0.000 0.781 13 E HN 0.363 nan 8.360 nan 0.000 0.466 14 T N -0.027 114.634 114.554 0.178 0.000 2.976 14 T HA 0.028 4.378 4.350 -0.000 0.000 0.257 14 T C 1.971 176.890 174.700 0.366 0.000 1.051 14 T CA -0.085 62.204 62.100 0.314 0.000 1.141 14 T CB -0.166 68.923 68.868 0.368 0.000 0.881 14 T HN -0.003 nan 8.240 nan 0.000 0.461 15 L N 2.381 123.754 121.223 0.249 0.000 2.013 15 L HA 0.018 4.358 4.340 -0.000 0.000 0.212 15 L C -0.787 176.173 176.870 0.150 0.000 1.073 15 L CA 2.310 57.269 54.840 0.199 0.000 0.753 15 L CB -1.735 40.436 42.059 0.186 0.000 0.890 15 L HN 0.181 nan 8.230 nan 0.000 0.432 16 P HA -0.189 nan 4.420 nan 0.000 0.217 16 P C 1.300 178.649 177.300 0.081 0.000 1.150 16 P CA 1.434 64.585 63.100 0.083 0.000 0.832 16 P CB -0.315 31.433 31.700 0.080 0.000 0.787 17 W N 0.571 121.866 121.300 -0.009 0.000 2.332 17 W HA -0.189 4.471 4.660 -0.000 0.000 0.321 17 W C 1.909 178.406 176.519 -0.036 0.000 1.219 17 W CA 1.135 58.466 57.345 -0.024 0.000 1.277 17 W CB -1.238 28.272 29.460 0.083 0.000 1.161 17 W HN -0.183 nan 8.180 nan 0.000 0.476 18 L N 1.016 122.166 121.223 -0.122 0.000 2.083 18 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 18 L C 2.378 179.109 176.870 -0.232 0.000 1.083 18 L CA 2.562 57.187 54.840 -0.358 0.000 0.752 18 L CB -1.134 40.819 42.059 -0.176 0.000 0.899 18 L HN -0.034 nan 8.230 nan 0.000 0.433 19 S N -1.007 114.602 115.700 -0.152 0.000 2.474 19 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 19 S C 2.061 176.545 174.600 -0.194 0.000 0.997 19 S CA 0.986 59.114 58.200 -0.121 0.000 0.949 19 S CB -0.444 62.722 63.200 -0.057 0.000 0.766 19 S HN 0.770 nan 8.310 nan 0.000 0.517 20 S N 1.275 116.752 115.700 -0.371 0.000 2.383 20 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 20 S C 0.450 174.758 174.600 -0.487 0.000 1.026 20 S CA 0.405 58.320 58.200 -0.476 0.000 0.981 20 S CB -0.715 62.078 63.200 -0.678 0.000 0.818 20 S HN 0.394 nan 8.310 nan 0.000 0.472 21 F N 2.703 122.532 119.950 -0.201 0.000 2.434 21 F HA 0.570 5.097 4.527 -0.000 0.000 0.358 21 F C 1.627 177.364 175.800 -0.107 0.000 1.136 21 F CA 0.293 58.196 58.000 -0.162 0.000 1.157 21 F CB 0.542 39.402 39.000 -0.233 0.000 1.167 21 F HN 0.342 nan 8.300 nan 0.000 0.539 22 G N 1.698 110.544 108.800 0.077 0.000 2.184 22 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.206 22 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.206 22 G C 0.167 175.077 174.900 0.016 0.000 0.995 22 G CA -0.478 44.656 45.100 0.056 0.000 0.651 22 G HN 0.980 nan 8.290 nan 0.000 0.511 23 A N 0.168 122.977 122.820 -0.017 0.000 2.511 23 A HA 0.504 4.823 4.320 -0.000 0.000 0.242 23 A C 0.089 177.667 177.584 -0.010 0.000 1.069 23 A CA 0.801 52.822 52.037 -0.027 0.000 0.763 23 A CB 0.428 19.394 19.000 -0.056 0.000 1.001 23 A HN 0.344 nan 8.150 nan 0.000 0.498 24 D N 2.212 122.608 120.400 -0.007 0.000 2.256 24 D HA 0.471 5.111 4.640 -0.000 0.000 0.240 24 D C -1.838 174.458 176.300 -0.006 0.000 1.062 24 D CA -1.919 52.080 54.000 -0.003 0.000 0.832 24 D CB 1.635 42.435 40.800 -0.000 0.000 1.135 24 D HN 0.125 nan 8.370 nan 0.000 0.484 25 P HA -0.033 nan 4.420 nan 0.000 0.220 25 P C 0.699 177.996 177.300 -0.005 0.000 1.148 25 P CA 0.798 63.895 63.100 -0.005 0.000 0.803 25 P CB 0.298 31.996 31.700 -0.003 0.000 0.782 26 A N -0.901 121.917 122.820 -0.004 0.000 2.167 26 A HA 0.426 4.746 4.320 -0.000 0.000 0.214 26 A C 1.076 178.658 177.584 -0.003 0.000 1.151 26 A CA 0.963 52.998 52.037 -0.004 0.000 0.735 26 A CB -0.920 18.078 19.000 -0.005 0.000 0.802 26 A HN 0.310 nan 8.150 nan 0.000 0.467 27 G N -3.084 105.714 108.800 -0.004 0.000 2.841 27 G HA2 0.507 4.466 3.960 -0.000 0.000 0.684 27 G HA3 0.507 4.466 3.960 -0.000 0.000 0.684 27 G C 0.562 175.462 174.900 -0.001 0.000 1.273 27 G CA -0.122 44.976 45.100 -0.003 0.000 0.811 27 G HN 2.231 nan 8.290 nan 0.000 0.631 28 G N 1.464 110.263 108.800 -0.001 0.000 2.562 28 G HA2 0.192 4.152 3.960 -0.000 0.000 0.250 28 G HA3 0.192 4.152 3.960 -0.000 0.000 0.250 28 G C 0.177 175.078 174.900 0.001 0.000 1.269 28 G CA 0.500 45.601 45.100 0.002 0.000 0.919 28 G HN 1.628 nan 8.290 nan 0.000 0.574 29 M N 0.494 120.099 119.600 0.008 0.000 2.436 29 M HA 0.605 5.085 4.480 -0.000 0.000 0.331 29 M C -0.354 175.956 176.300 0.016 0.000 1.135 29 M CA -0.316 54.991 55.300 0.011 0.000 0.987 29 M CB 1.582 34.193 32.600 0.018 0.000 1.687 29 M HN 0.561 nan 8.290 nan 0.000 0.445 30 T N 2.712 117.279 114.554 0.021 0.000 3.103 30 T HA 0.361 4.711 4.350 -0.000 0.000 0.352 30 T C -0.321 174.407 174.700 0.046 0.000 1.048 30 T CA -0.512 61.600 62.100 0.021 0.000 1.175 30 T CB 0.852 69.725 68.868 0.008 0.000 1.029 30 T HN 0.622 nan 8.240 nan 0.000 0.498 31 R N 4.166 124.708 120.500 0.069 0.000 2.494 31 R HA 0.456 4.796 4.340 -0.000 0.000 0.284 31 R C -0.754 175.636 176.300 0.149 0.000 1.525 31 R CA -0.452 55.723 56.100 0.125 0.000 1.460 31 R CB 0.232 30.611 30.300 0.131 0.000 1.134 31 R HN 0.491 nan 8.270 nan 0.000 0.592 32 L N 2.757 124.037 121.223 0.094 0.000 2.399 32 L HA 0.337 4.677 4.340 -0.000 0.000 0.266 32 L C 0.809 177.665 176.870 -0.024 0.000 1.114 32 L CA -0.857 53.996 54.840 0.022 0.000 0.804 32 L CB 0.963 42.984 42.059 -0.064 0.000 1.146 32 L HN 0.388 nan 8.230 nan 0.000 0.451 33 L N 3.225 124.351 121.223 -0.162 0.000 2.640 33 L HA -0.144 4.196 4.340 -0.000 0.000 0.280 33 L C -0.081 176.457 176.870 -0.553 0.000 1.229 33 L CA 0.654 55.158 54.840 -0.559 0.000 0.919 33 L CB -0.360 41.429 42.059 -0.450 0.000 1.168 33 L HN 0.646 nan 8.230 nan 0.000 0.496 34 Y N 1.373 121.066 120.300 -1.011 0.000 3.491 34 Y HA -0.292 4.258 4.550 -0.000 0.000 0.215 34 Y C 0.911 176.718 175.900 -0.155 0.000 1.219 34 Y CA 0.205 57.931 58.100 -0.622 0.000 1.485 34 Y CB -1.606 36.533 38.460 -0.535 0.000 1.450 34 Y HN 0.773 nan 8.280 nan 0.000 0.603 35 S N -1.857 113.923 115.700 0.135 0.000 2.722 35 S HA 0.539 5.009 4.470 -0.000 0.000 0.292 35 S C -1.680 173.057 174.600 0.229 0.000 1.135 35 S CA -1.389 56.899 58.200 0.147 0.000 1.003 35 S CB 2.375 65.641 63.200 0.109 0.000 1.067 35 S HN -0.166 nan 8.310 nan 0.000 0.546 36 P HA -0.034 nan 4.420 nan 0.000 0.217 36 P C 0.903 178.305 177.300 0.170 0.000 1.150 36 P CA 1.138 64.328 63.100 0.150 0.000 0.832 36 P CB 0.015 31.771 31.700 0.093 0.000 0.787 37 E N -1.794 118.505 120.200 0.165 0.000 2.110 37 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 37 E C 1.703 178.417 176.600 0.189 0.000 0.988 37 E CA 0.990 57.483 56.400 0.155 0.000 0.804 37 E CB -1.002 28.777 29.700 0.131 0.000 0.745 37 E HN 0.357 nan 8.360 nan 0.000 0.458 38 W N 0.811 122.146 121.300 0.060 0.000 2.355 38 W HA -0.137 4.522 4.660 -0.000 0.000 0.309 38 W C 1.841 178.416 176.519 0.093 0.000 1.206 38 W CA 1.313 58.702 57.345 0.074 0.000 1.284 38 W CB -0.294 29.216 29.460 0.083 0.000 1.145 38 W HN 0.062 nan 8.180 nan 0.000 0.502 39 L N 0.661 122.153 121.223 0.450 0.000 2.012 39 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 39 L C 2.577 179.448 176.870 0.003 0.000 1.073 39 L CA 2.396 57.389 54.840 0.256 0.000 0.748 39 L CB -0.817 41.422 42.059 0.300 0.000 0.891 39 L HN 0.156 nan 8.230 nan 0.000 0.431 40 E N -1.030 119.162 120.200 -0.014 0.000 2.077 40 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 40 E C 1.874 178.265 176.600 -0.347 0.000 0.989 40 E CA 1.833 58.144 56.400 -0.148 0.000 0.800 40 E CB 0.095 29.735 29.700 -0.100 0.000 0.746 40 E HN 0.456 nan 8.360 nan 0.000 0.452 41 T N 1.194 115.569 114.554 -0.298 0.000 2.684 41 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 41 T C 1.812 176.331 174.700 -0.301 0.000 1.036 41 T CA 1.257 63.138 62.100 -0.365 0.000 1.148 41 T CB -0.151 68.587 68.868 -0.218 0.000 0.863 41 T HN 0.185 nan 8.240 nan 0.000 0.436 42 Q N 0.919 120.545 119.800 -0.290 0.000 2.124 42 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 42 Q C 2.434 178.434 176.000 0.000 0.000 0.977 42 Q CA 1.369 57.084 55.803 -0.148 0.000 0.850 42 Q CB -0.321 28.279 28.738 -0.231 0.000 0.901 42 Q HN 0.654 nan 8.270 nan 0.000 0.429 43 Q N -0.157 119.636 119.800 -0.011 0.000 2.079 43 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 43 Q C 2.172 178.139 176.000 -0.054 0.000 0.974 43 Q CA 0.835 56.650 55.803 0.020 0.000 0.840 43 Q CB 0.107 28.853 28.738 0.013 0.000 0.898 43 Q HN 0.338 nan 8.270 nan 0.000 0.430 44 Q N -0.334 119.363 119.800 -0.172 0.000 2.079 44 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 44 Q C 1.918 178.010 176.000 0.153 0.000 0.974 44 Q CA 0.913 56.648 55.803 -0.112 0.000 0.840 44 Q CB -0.229 28.156 28.738 -0.589 0.000 0.898 44 Q HN 0.318 nan 8.270 nan 0.000 0.430 45 F N 2.127 121.998 119.950 -0.131 0.000 2.234 45 F HA -0.121 4.405 4.527 -0.000 0.000 0.299 45 F C 2.270 177.958 175.800 -0.186 0.000 1.087 45 F CA 1.177 59.129 58.000 -0.081 0.000 1.340 45 F CB -0.146 38.752 39.000 -0.172 0.000 1.031 45 F HN -0.030 nan 8.300 nan 0.000 0.500 46 K N 0.630 120.914 120.400 -0.193 0.000 2.057 46 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 46 K C 2.352 178.812 176.600 -0.233 0.000 1.050 46 K CA 1.512 57.602 56.287 -0.328 0.000 0.935 46 K CB -0.288 32.032 32.500 -0.299 0.000 0.715 46 K HN 0.232 nan 8.250 nan 0.000 0.439 47 K N 0.501 120.836 120.400 -0.107 0.000 2.063 47 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 47 K C 2.250 178.800 176.600 -0.084 0.000 1.048 47 K CA 1.180 57.432 56.287 -0.059 0.000 0.928 47 K CB -0.016 32.489 32.500 0.009 0.000 0.713 47 K HN 0.045 nan 8.250 nan 0.000 0.442 48 R N 0.232 120.674 120.500 -0.097 0.000 2.096 48 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 48 R C 2.274 178.397 176.300 -0.295 0.000 1.127 48 R CA 1.571 57.565 56.100 -0.178 0.000 0.968 48 R CB -0.250 29.913 30.300 -0.228 0.000 0.861 48 R HN 0.407 nan 8.270 nan 0.000 0.440 49 M N -0.695 118.602 119.600 -0.506 0.000 2.200 49 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 49 M C 2.403 178.610 176.300 -0.156 0.000 1.066 49 M CA 1.485 56.494 55.300 -0.485 0.000 1.127 49 M CB -0.261 31.921 32.600 -0.697 0.000 1.379 49 M HN 0.110 nan 8.290 nan 0.000 0.420 50 A N 0.652 123.384 122.820 -0.147 0.000 1.855 50 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 50 A C 2.386 179.962 177.584 -0.014 0.000 1.191 50 A CA 1.817 53.814 52.037 -0.067 0.000 0.613 50 A CB -0.989 17.971 19.000 -0.068 0.000 0.829 50 A HN 0.465 nan 8.150 nan 0.000 0.442 51 A N -0.458 122.355 122.820 -0.011 0.000 1.978 51 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 51 A C 2.434 180.055 177.584 0.061 0.000 1.170 51 A CA 2.250 54.299 52.037 0.020 0.000 0.636 51 A CB -0.865 18.144 19.000 0.015 0.000 0.810 51 A HN 0.750 nan 8.150 nan 0.000 0.448 52 S N -1.675 114.088 115.700 0.107 0.000 2.515 52 S HA 0.259 4.729 4.470 -0.000 0.000 0.231 52 S C 1.359 176.044 174.600 0.142 0.000 0.987 52 S CA 1.572 59.888 58.200 0.192 0.000 0.936 52 S CB -0.328 63.127 63.200 0.426 0.000 0.766 52 S HN 1.897 nan 8.310 nan 0.000 0.528 53 G N -0.044 108.811 108.800 0.091 0.000 2.168 53 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.197 53 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.197 53 G C -0.149 174.790 174.900 0.065 0.000 0.997 53 G CA 0.018 45.160 45.100 0.070 0.000 0.658 53 G HN 0.477 nan 8.290 nan 0.000 0.513 54 L N 0.709 121.970 121.223 0.063 0.000 2.379 54 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 54 L C 0.770 177.641 176.870 0.002 0.000 1.084 54 L CA -0.825 54.043 54.840 0.046 0.000 0.802 54 L CB 1.381 43.474 42.059 0.056 0.000 1.175 54 L HN 0.245 nan 8.230 nan 0.000 0.448 55 E N 2.058 122.258 120.200 0.001 0.000 2.052 55 E HA 0.158 4.508 4.350 -0.000 0.000 0.283 55 E C -0.829 175.753 176.600 -0.030 0.000 1.071 55 E CA -0.494 55.897 56.400 -0.014 0.000 0.851 55 E CB 0.814 30.508 29.700 -0.010 0.000 1.066 55 E HN 0.649 nan 8.360 nan 0.000 0.396 56 T N 2.729 117.249 114.554 -0.056 0.000 2.929 56 T HA 0.683 5.033 4.350 -0.000 0.000 0.284 56 T C -0.040 174.617 174.700 -0.073 0.000 1.014 56 T CA -0.958 61.086 62.100 -0.094 0.000 1.051 56 T CB 1.613 70.377 68.868 -0.174 0.000 1.028 56 T HN 0.630 nan 8.240 nan 0.000 0.485 57 R N 0.442 120.890 120.500 -0.087 0.000 2.741 57 R HA 0.525 4.864 4.340 -0.000 0.000 0.276 57 R C -2.228 174.058 176.300 -0.024 0.000 1.028 57 R CA -0.940 55.152 56.100 -0.013 0.000 0.865 57 R CB 0.575 30.912 30.300 0.060 0.000 1.268 57 R HN 0.529 nan 8.270 nan 0.000 0.475 58 F N 1.327 121.391 119.950 0.189 0.000 2.508 58 F HA 0.296 4.823 4.527 -0.000 0.000 0.325 58 F C 0.276 176.218 175.800 0.236 0.000 1.090 58 F CA -0.356 57.788 58.000 0.240 0.000 0.945 58 F CB 1.713 40.930 39.000 0.362 0.000 1.156 58 F HN 0.672 nan 8.300 nan 0.000 0.463 59 D N 0.967 121.629 120.400 0.437 0.000 2.511 59 D HA 0.148 4.788 4.640 -0.000 0.000 0.276 59 D C 0.736 177.165 176.300 0.215 0.000 1.220 59 D CA -0.271 53.896 54.000 0.279 0.000 1.077 59 D CB 0.343 41.292 40.800 0.249 0.000 1.126 59 D HN 0.477 nan 8.370 nan 0.000 0.583 60 E N -1.209 119.067 120.200 0.128 0.000 2.160 60 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 60 E C 1.517 178.137 176.600 0.032 0.000 0.991 60 E CA 1.759 58.228 56.400 0.115 0.000 0.810 60 E CB -0.214 29.527 29.700 0.068 0.000 0.742 60 E HN 0.425 nan 8.360 nan 0.000 0.466 61 V N -4.348 115.517 119.914 -0.082 0.000 3.483 61 V HA 0.535 4.655 4.120 -0.000 0.000 0.301 61 V C 1.185 177.100 176.094 -0.298 0.000 1.389 61 V CA 0.330 62.558 62.300 -0.119 0.000 1.101 61 V CB 0.149 31.878 31.823 -0.157 0.000 0.971 61 V HN 0.250 nan 8.190 nan 0.000 0.434 62 G N 0.762 109.273 108.800 -0.482 0.000 2.168 62 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.197 62 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.197 62 G C -0.202 174.874 174.900 0.294 0.000 0.997 62 G CA -0.012 44.911 45.100 -0.294 0.000 0.658 62 G HN 0.641 nan 8.290 nan 0.000 0.513 63 N N 0.211 119.022 118.700 0.185 0.000 2.497 63 N HA 0.524 5.264 4.740 -0.000 0.000 0.271 63 N C -0.175 175.364 175.510 0.048 0.000 1.142 63 N CA -0.345 52.750 53.050 0.075 0.000 0.965 63 N CB 1.473 39.914 38.487 -0.075 0.000 1.077 63 N HN 0.333 nan 8.380 nan 0.000 0.462 64 L N 3.464 124.620 121.223 -0.112 0.000 2.309 64 L HA 0.495 4.835 4.340 -0.000 0.000 0.282 64 L C -1.585 175.046 176.870 -0.398 0.000 1.036 64 L CA -0.474 54.194 54.840 -0.288 0.000 0.806 64 L CB 0.354 42.209 42.059 -0.340 0.000 1.220 64 L HN 0.456 nan 8.230 nan 0.000 0.429 65 Y N 2.395 122.601 120.300 -0.157 0.000 2.524 65 Y HA 0.733 5.283 4.550 -0.000 0.000 0.344 65 Y C 0.559 176.367 175.900 -0.153 0.000 1.012 65 Y CA -0.696 57.346 58.100 -0.098 0.000 1.068 65 Y CB 2.514 40.949 38.460 -0.042 0.000 1.249 65 Y HN 0.708 nan 8.280 nan 0.000 0.468 66 G N 2.485 111.332 108.800 0.077 0.000 2.728 66 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 66 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 66 G C -1.530 173.414 174.900 0.073 0.000 1.401 66 G CA -0.761 44.335 45.100 -0.008 0.000 1.007 66 G HN 0.549 nan 8.290 nan 0.000 0.527 67 R N 2.450 122.979 120.500 0.048 0.000 2.532 67 R HA 0.715 5.055 4.340 -0.000 0.000 0.295 67 R C -1.549 174.777 176.300 0.044 0.000 0.968 67 R CA -0.849 55.278 56.100 0.046 0.000 0.916 67 R CB 1.574 31.877 30.300 0.005 0.000 1.124 67 R HN 0.371 nan 8.270 nan 0.000 0.463 68 L N 4.406 125.657 121.223 0.045 0.000 2.415 68 L HA 0.404 4.743 4.340 -0.000 0.000 0.268 68 L C -1.276 175.584 176.870 -0.018 0.000 0.984 68 L CA -0.437 54.423 54.840 0.034 0.000 0.853 68 L CB 1.549 43.656 42.059 0.080 0.000 1.215 68 L HN 0.644 nan 8.230 nan 0.000 0.419 69 N N 2.942 121.623 118.700 -0.032 0.000 2.518 69 N HA 0.318 5.058 4.740 -0.000 0.000 0.266 69 N C 0.111 175.561 175.510 -0.100 0.000 1.196 69 N CA 0.304 53.320 53.050 -0.057 0.000 0.947 69 N CB 1.481 39.940 38.487 -0.046 0.000 1.098 69 N HN 0.813 nan 8.380 nan 0.000 0.450 70 G N -0.577 108.152 108.800 -0.119 0.000 2.504 70 G HA2 0.219 4.179 3.960 -0.000 0.000 0.288 70 G HA3 0.219 4.179 3.960 -0.000 0.000 0.288 70 G C 1.071 175.883 174.900 -0.148 0.000 1.182 70 G CA -0.402 44.596 45.100 -0.170 0.000 0.894 70 G HN 0.550 nan 8.290 nan 0.000 0.521 71 T N -2.342 112.105 114.554 -0.178 0.000 3.035 71 T HA 0.088 4.438 4.350 -0.000 0.000 0.259 71 T C 1.413 175.983 174.700 -0.217 0.000 1.078 71 T CA 1.015 63.017 62.100 -0.164 0.000 1.132 71 T CB 0.223 69.004 68.868 -0.146 0.000 0.900 71 T HN 0.358 nan 8.240 nan 0.000 0.480 72 E N 0.419 120.428 120.200 -0.318 0.000 2.206 72 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 72 E C -0.373 175.789 176.600 -0.729 0.000 0.935 72 E CA 0.563 56.612 56.400 -0.585 0.000 0.875 72 E CB 0.355 29.541 29.700 -0.857 0.000 0.841 72 E HN 0.659 nan 8.360 nan 0.000 0.477 73 Y N 1.188 121.439 120.300 -0.082 0.000 2.553 73 Y HA 0.249 4.799 4.550 -0.000 0.000 0.369 73 Y C -1.713 174.145 175.900 -0.071 0.000 0.964 73 Y CA -2.185 55.875 58.100 -0.067 0.000 1.156 73 Y CB 0.826 39.248 38.460 -0.064 0.000 1.218 73 Y HN 0.016 nan 8.280 nan 0.000 0.630 74 P HA -0.218 nan 4.420 nan 0.000 0.217 74 P C 0.881 178.182 177.300 0.002 0.000 1.148 74 P CA 1.541 64.630 63.100 -0.019 0.000 0.828 74 P CB 0.592 32.266 31.700 -0.043 0.000 0.783 75 Q N -0.032 119.782 119.800 0.024 0.000 2.435 75 Q HA 0.035 4.374 4.340 -0.000 0.000 0.207 75 Q C 0.612 176.624 176.000 0.020 0.000 0.956 75 Q CA 0.667 56.479 55.803 0.015 0.000 0.917 75 Q CB -0.073 28.676 28.738 0.018 0.000 0.997 75 Q HN 0.540 nan 8.270 nan 0.000 0.497 76 E N 0.650 120.874 120.200 0.040 0.000 2.200 76 E HA 0.334 4.684 4.350 -0.000 0.000 0.283 76 E C -0.946 175.666 176.600 0.020 0.000 1.015 76 E CA -0.313 56.102 56.400 0.025 0.000 0.819 76 E CB 1.803 31.510 29.700 0.012 0.000 1.081 76 E HN -0.182 nan 8.360 nan 0.000 0.397 77 V N 3.759 123.690 119.914 0.028 0.000 2.540 77 V HA 0.237 4.357 4.120 -0.000 0.000 0.302 77 V C -0.269 175.871 176.094 0.076 0.000 1.035 77 V CA -0.896 61.428 62.300 0.041 0.000 0.873 77 V CB 1.870 33.714 31.823 0.035 0.000 0.992 77 V HN 0.402 nan 8.190 nan 0.000 0.428 78 V N 6.169 126.131 119.914 0.080 0.000 2.350 78 V HA 0.422 4.542 4.120 -0.000 0.000 0.276 78 V C -0.068 176.119 176.094 0.154 0.000 1.028 78 V CA -0.329 62.037 62.300 0.111 0.000 0.860 78 V CB 1.470 33.348 31.823 0.091 0.000 0.990 78 V HN 0.647 nan 8.190 nan 0.000 0.453 79 L N 3.999 125.351 121.223 0.216 0.000 2.331 79 L HA 0.787 5.127 4.340 -0.000 0.000 0.275 79 L C -0.090 176.939 176.870 0.266 0.000 1.022 79 L CA 0.018 55.034 54.840 0.293 0.000 0.812 79 L CB 2.081 44.381 42.059 0.403 0.000 1.257 79 L HN 0.734 nan 8.230 nan 0.000 0.435 80 S N 1.946 117.784 115.700 0.231 0.000 2.543 80 S HA 0.885 5.355 4.470 -0.000 0.000 0.271 80 S C -0.636 174.056 174.600 0.152 0.000 1.148 80 S CA 0.257 58.495 58.200 0.063 0.000 0.914 80 S CB 1.747 64.954 63.200 0.012 0.000 1.096 80 S HN 1.125 nan 8.310 nan 0.000 0.471 81 G N 1.781 110.646 108.800 0.109 0.000 2.344 81 G HA2 0.560 4.519 3.960 -0.000 0.000 0.282 81 G HA3 0.560 4.519 3.960 -0.000 0.000 0.282 81 G C -0.913 174.106 174.900 0.198 0.000 1.281 81 G CA 0.298 45.499 45.100 0.168 0.000 0.877 81 G HN 1.264 nan 8.290 nan 0.000 0.494 82 S N -2.205 113.621 115.700 0.210 0.000 2.694 82 S HA 0.595 5.064 4.470 -0.000 0.000 0.273 82 S C -1.235 173.506 174.600 0.235 0.000 1.180 82 S CA 0.125 58.478 58.200 0.254 0.000 0.864 82 S CB 0.340 63.630 63.200 0.149 0.000 1.198 82 S HN 1.617 nan 8.310 nan 0.000 0.499 83 H N 0.433 119.661 119.070 0.263 0.000 2.562 83 H HA 0.568 5.123 4.556 -0.000 0.000 0.352 83 H C 0.956 176.387 175.328 0.172 0.000 1.125 83 H CA -0.081 56.108 56.048 0.234 0.000 1.379 83 H CB 0.232 30.156 29.762 0.270 0.000 1.464 83 H HN 0.484 nan 8.280 nan 0.000 0.563 84 I N -1.641 119.065 120.570 0.226 0.000 3.941 84 I HA 0.110 4.280 4.170 -0.000 0.000 0.321 84 I C 0.223 176.465 176.117 0.209 0.000 1.284 84 I CA -0.375 60.992 61.300 0.111 0.000 1.226 84 I CB -0.474 37.533 38.000 0.010 0.000 1.045 84 I HN 0.663 nan 8.210 nan 0.000 0.420 85 D N 1.744 122.370 120.400 0.376 0.000 2.377 85 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 85 D C 0.314 176.797 176.300 0.304 0.000 1.196 85 D CA 0.209 54.411 54.000 0.336 0.000 0.962 85 D CB 1.253 42.230 40.800 0.295 0.000 1.127 85 D HN 0.302 nan 8.370 nan 0.000 0.471 86 T N -3.574 111.090 114.554 0.182 0.000 2.804 86 T HA 0.540 4.890 4.350 -0.000 0.000 0.290 86 T C 0.221 174.931 174.700 0.016 0.000 1.099 86 T CA -0.578 61.597 62.100 0.126 0.000 1.011 86 T CB 0.742 69.667 68.868 0.095 0.000 1.291 86 T HN 0.570 nan 8.240 nan 0.000 0.523 87 V N 0.689 120.561 119.914 -0.070 0.000 3.295 87 V HA 0.552 4.672 4.120 -0.000 0.000 0.308 87 V C 2.191 178.240 176.094 -0.076 0.000 1.068 87 V CA 0.023 62.230 62.300 -0.154 0.000 1.062 87 V CB 0.250 31.860 31.823 -0.355 0.000 1.162 87 V HN 1.221 nan 8.190 nan 0.000 0.456 88 V N -0.793 119.075 119.914 -0.075 0.000 2.220 88 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 88 V C 1.077 177.156 176.094 -0.025 0.000 1.053 88 V CA 2.234 64.507 62.300 -0.045 0.000 1.019 88 V CB -1.187 30.609 31.823 -0.045 0.000 0.646 88 V HN 0.983 nan 8.190 nan 0.000 0.455 89 N N 1.600 120.288 118.700 -0.019 0.000 3.012 89 N HA 0.493 5.233 4.740 -0.000 0.000 0.270 89 N C 0.086 175.603 175.510 0.011 0.000 1.469 89 N CA 0.633 53.682 53.050 -0.002 0.000 0.928 89 N CB 1.213 39.701 38.487 0.001 0.000 1.219 89 N HN 0.711 nan 8.380 nan 0.000 0.492 90 G N -0.841 107.969 108.800 0.016 0.000 2.642 90 G HA2 0.641 4.601 3.960 -0.000 0.000 0.291 90 G HA3 0.641 4.601 3.960 -0.000 0.000 0.291 90 G C 0.312 175.242 174.900 0.050 0.000 1.345 90 G CA -0.504 44.626 45.100 0.050 0.000 1.043 90 G HN 0.246 nan 8.290 nan 0.000 0.528 91 G N -1.036 107.805 108.800 0.068 0.000 2.532 91 G HA2 0.381 4.341 3.960 -0.000 0.000 0.291 91 G HA3 0.381 4.341 3.960 -0.000 0.000 0.291 91 G C 0.398 175.317 174.900 0.031 0.000 1.349 91 G CA -0.210 44.913 45.100 0.039 0.000 1.038 91 G HN 0.697 nan 8.290 nan 0.000 0.518 92 N N -0.636 118.070 118.700 0.010 0.000 2.321 92 N HA 0.129 4.868 4.740 -0.000 0.000 0.242 92 N C 0.337 175.852 175.510 0.009 0.000 1.141 92 N CA -0.148 52.906 53.050 0.007 0.000 0.864 92 N CB 0.840 39.326 38.487 -0.001 0.000 1.100 92 N HN 0.206 nan 8.380 nan 0.000 0.510 93 L N -0.210 121.008 121.223 -0.007 0.000 2.694 93 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 93 L C 0.204 177.036 176.870 -0.063 0.000 1.048 93 L CA 0.267 55.087 54.840 -0.032 0.000 0.887 93 L CB -0.555 41.428 42.059 -0.126 0.000 1.265 93 L HN 0.051 nan 8.230 nan 0.000 0.492 94 D N 0.520 120.893 120.400 -0.045 0.000 2.426 94 D HA 0.346 4.986 4.640 -0.000 0.000 0.261 94 D C 1.241 177.464 176.300 -0.129 0.000 1.245 94 D CA 1.443 55.411 54.000 -0.054 0.000 0.917 94 D CB 0.523 41.442 40.800 0.198 0.000 1.123 94 D HN 0.391 nan 8.370 nan 0.000 0.508 95 G N 4.472 113.023 108.800 -0.415 0.000 4.890 95 G HA2 -0.426 3.533 3.960 -0.000 0.000 0.221 95 G HA3 -0.426 3.533 3.960 -0.000 0.000 0.221 95 G C 1.120 175.818 174.900 -0.337 0.000 1.472 95 G CA 0.717 45.373 45.100 -0.740 0.000 0.962 95 G HN 0.612 nan 8.290 nan 0.000 0.671 96 Q N -0.116 119.567 119.800 -0.196 0.000 2.181 96 Q HA 0.025 4.364 4.340 -0.000 0.000 0.205 96 Q C 2.342 178.288 176.000 -0.090 0.000 0.980 96 Q CA 2.178 57.901 55.803 -0.133 0.000 0.862 96 Q CB -0.365 28.303 28.738 -0.118 0.000 0.905 96 Q HN 0.791 nan 8.270 nan 0.000 0.429 97 F N 1.953 121.813 119.950 -0.150 0.000 2.171 97 F HA 0.032 4.559 4.527 -0.000 0.000 0.300 97 F C 2.159 177.917 175.800 -0.071 0.000 1.090 97 F CA 1.711 59.650 58.000 -0.101 0.000 1.293 97 F CB -0.572 38.363 39.000 -0.109 0.000 1.013 97 F HN 0.177 nan 8.300 nan 0.000 0.486 98 G N -0.513 108.250 108.800 -0.062 0.000 2.432 98 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 98 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 98 G C 1.765 176.618 174.900 -0.078 0.000 1.135 98 G CA 0.699 45.757 45.100 -0.070 0.000 0.767 98 G HN 0.569 nan 8.290 nan 0.000 0.550 99 A N 0.120 122.914 122.820 -0.043 0.000 1.970 99 A HA 0.247 4.566 4.320 -0.000 0.000 0.216 99 A C 2.266 179.932 177.584 0.138 0.000 1.170 99 A CA 1.337 53.423 52.037 0.081 0.000 0.645 99 A CB -0.293 18.772 19.000 0.109 0.000 0.816 99 A HN 0.389 nan 8.150 nan 0.000 0.447 100 L N 0.000 121.186 121.223 -0.062 0.000 2.027 100 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 100 L C 2.602 179.461 176.870 -0.017 0.000 1.074 100 L CA 2.220 57.068 54.840 0.012 0.000 0.745 100 L CB -0.840 41.114 42.059 -0.176 0.000 0.898 100 L HN 0.312 nan 8.230 nan 0.000 0.433 101 A N -0.495 122.104 122.820 -0.368 0.000 1.933 101 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 101 A C 2.440 179.945 177.584 -0.133 0.000 1.175 101 A CA 1.767 53.579 52.037 -0.376 0.000 0.628 101 A CB -1.116 17.557 19.000 -0.545 0.000 0.814 101 A HN 0.593 nan 8.150 nan 0.000 0.444 102 A N -1.339 121.476 122.820 -0.008 0.000 1.902 102 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 102 A C 1.973 179.673 177.584 0.194 0.000 1.181 102 A CA 1.634 53.722 52.037 0.084 0.000 0.623 102 A CB -0.891 18.182 19.000 0.122 0.000 0.818 102 A HN 0.889 nan 8.150 nan 0.000 0.443 103 W N 0.862 122.222 121.300 0.100 0.000 2.358 103 W HA -0.134 4.526 4.660 -0.000 0.000 0.303 103 W C 1.714 178.320 176.519 0.145 0.000 1.208 103 W CA 1.755 59.179 57.345 0.133 0.000 1.274 103 W CB -0.565 29.021 29.460 0.211 0.000 1.138 103 W HN 0.241 nan 8.180 nan 0.000 0.515 104 L N 0.543 121.688 121.223 -0.129 0.000 2.093 104 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 104 L C 2.714 179.591 176.870 0.011 0.000 1.085 104 L CA 1.368 56.055 54.840 -0.256 0.000 0.755 104 L CB -1.522 40.459 42.059 -0.131 0.000 0.904 104 L HN 0.080 nan 8.230 nan 0.000 0.435 105 A N 0.680 123.497 122.820 -0.004 0.000 1.845 105 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 105 A C 2.215 179.940 177.584 0.235 0.000 1.195 105 A CA 1.566 53.669 52.037 0.109 0.000 0.616 105 A CB -0.721 18.277 19.000 -0.003 0.000 0.832 105 A HN 0.313 nan 8.150 nan 0.000 0.443 106 I N -0.303 120.375 120.570 0.180 0.000 2.208 106 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 106 I C 2.262 178.493 176.117 0.189 0.000 1.097 106 I CA 2.050 63.490 61.300 0.233 0.000 1.363 106 I CB -0.486 37.675 38.000 0.267 0.000 1.051 106 I HN 0.434 nan 8.210 nan 0.000 0.413 107 D N -0.103 120.345 120.400 0.081 0.000 2.144 107 D HA -0.264 4.376 4.640 -0.000 0.000 0.199 107 D C 1.952 178.302 176.300 0.084 0.000 0.984 107 D CA 1.142 55.158 54.000 0.027 0.000 0.834 107 D CB -0.101 40.569 40.800 -0.216 0.000 0.955 107 D HN 0.405 nan 8.370 nan 0.000 0.465 108 W N 0.552 121.848 121.300 -0.007 0.000 2.443 108 W HA 0.040 4.699 4.660 -0.000 0.000 0.296 108 W C 1.710 178.189 176.519 -0.067 0.000 1.202 108 W CA 0.844 58.161 57.345 -0.048 0.000 1.312 108 W CB -0.397 29.061 29.460 -0.003 0.000 1.120 108 W HN -0.031 nan 8.180 nan 0.000 0.536 109 L N 1.157 122.334 121.223 -0.076 0.000 2.042 109 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 109 L C 2.721 179.433 176.870 -0.262 0.000 1.076 109 L CA 2.116 56.730 54.840 -0.377 0.000 0.749 109 L CB -1.047 40.757 42.059 -0.425 0.000 0.893 109 L HN 0.013 nan 8.230 nan 0.000 0.432 110 K N 0.166 120.579 120.400 0.021 0.000 2.009 110 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 110 K C 2.106 178.703 176.600 -0.005 0.000 1.049 110 K CA 2.319 58.709 56.287 0.172 0.000 0.929 110 K CB -0.288 32.319 32.500 0.179 0.000 0.714 110 K HN 0.415 nan 8.250 nan 0.000 0.440 111 T N -1.216 113.253 114.554 -0.142 0.000 2.915 111 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 111 T C 1.902 176.384 174.700 -0.363 0.000 1.071 111 T CA 0.727 62.708 62.100 -0.199 0.000 1.132 111 T CB 0.032 68.790 68.868 -0.183 0.000 0.878 111 T HN 0.216 nan 8.240 nan 0.000 0.479 112 Q N -0.088 119.315 119.800 -0.661 0.000 2.212 112 Q HA 0.118 4.457 4.340 -0.000 0.000 0.199 112 Q C 0.808 176.251 176.000 -0.929 0.000 0.950 112 Q CA 1.085 56.297 55.803 -0.985 0.000 0.863 112 Q CB 0.082 27.781 28.738 -1.732 0.000 0.944 112 Q HN 0.830 nan 8.270 nan 0.000 0.465 113 Y N -1.247 118.888 120.300 -0.274 0.000 2.563 113 Y HA 0.385 4.934 4.550 -0.000 0.000 0.250 113 Y C 1.087 177.081 175.900 0.157 0.000 1.126 113 Y CA 0.033 58.098 58.100 -0.057 0.000 1.231 113 Y CB 0.916 39.325 38.460 -0.086 0.000 1.288 113 Y HN 0.105 nan 8.280 nan 0.000 0.537 114 G N 1.442 110.382 108.800 0.232 0.000 2.693 114 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.226 114 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.226 114 G C 0.072 175.189 174.900 0.363 0.000 1.354 114 G CA -0.754 44.482 45.100 0.227 0.000 0.873 114 G HN 0.654 nan 8.290 nan 0.000 0.562 115 A N 1.462 124.382 122.820 0.166 0.000 2.507 115 A HA 0.594 4.914 4.320 -0.000 0.000 0.235 115 A C -0.838 176.624 177.584 -0.202 0.000 1.070 115 A CA 0.694 52.746 52.037 0.025 0.000 0.768 115 A CB -0.164 18.811 19.000 -0.042 0.000 1.011 115 A HN 0.935 nan 8.150 nan 0.000 0.502 116 P HA 0.320 nan 4.420 nan 0.000 0.283 116 P C 0.365 177.275 177.300 -0.650 0.000 1.278 116 P CA -0.594 61.688 63.100 -1.364 0.000 0.834 116 P CB 0.946 31.483 31.700 -1.938 0.000 1.150 117 L N -0.063 120.839 121.223 -0.536 0.000 2.072 117 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 117 L C 1.600 178.385 176.870 -0.141 0.000 1.079 117 L CA 1.751 56.446 54.840 -0.242 0.000 0.752 117 L CB -0.823 41.182 42.059 -0.090 0.000 0.906 117 L HN 0.399 nan 8.230 nan 0.000 0.436 118 R N -1.641 118.765 120.500 -0.157 0.000 2.828 118 R HA 0.444 4.784 4.340 -0.000 0.000 0.264 118 R C -0.184 176.025 176.300 -0.152 0.000 1.022 118 R CA -0.672 55.394 56.100 -0.057 0.000 1.021 118 R CB 0.891 31.186 30.300 -0.009 0.000 1.163 118 R HN -0.101 nan 8.270 nan 0.000 0.494 119 T N 1.490 115.997 114.554 -0.078 0.000 2.918 119 T HA 0.270 4.620 4.350 -0.000 0.000 0.302 119 T C -0.068 174.608 174.700 -0.040 0.000 1.045 119 T CA -0.428 61.627 62.100 -0.074 0.000 1.114 119 T CB 0.771 69.617 68.868 -0.036 0.000 0.965 119 T HN 0.389 nan 8.240 nan 0.000 0.540 120 V N 0.510 120.416 119.914 -0.013 0.000 2.735 120 V HA 0.759 4.879 4.120 -0.000 0.000 0.310 120 V C -0.637 175.521 176.094 0.107 0.000 1.061 120 V CA -0.956 61.387 62.300 0.072 0.000 0.913 120 V CB 2.034 33.940 31.823 0.139 0.000 1.005 120 V HN 0.862 nan 8.190 nan 0.000 0.428 121 E N 1.822 122.110 120.200 0.147 0.000 2.314 121 E HA 0.679 5.029 4.350 -0.000 0.000 0.272 121 E C -1.625 175.108 176.600 0.222 0.000 0.884 121 E CA -0.752 55.755 56.400 0.179 0.000 0.753 121 E CB 2.897 32.709 29.700 0.188 0.000 1.213 121 E HN 0.677 nan 8.360 nan 0.000 0.432 122 V N 2.854 122.895 119.914 0.211 0.000 2.472 122 V HA 0.438 4.558 4.120 -0.000 0.000 0.290 122 V C -0.399 175.796 176.094 0.169 0.000 1.037 122 V CA -0.580 61.837 62.300 0.194 0.000 0.908 122 V CB 1.658 33.583 31.823 0.170 0.000 0.985 122 V HN 0.407 nan 8.190 nan 0.000 0.454 123 V N 4.033 124.034 119.914 0.146 0.000 2.709 123 V HA 0.900 5.020 4.120 -0.000 0.000 0.308 123 V C -0.343 175.782 176.094 0.052 0.000 1.062 123 V CA -0.235 62.059 62.300 -0.009 0.000 0.901 123 V CB 2.054 33.861 31.823 -0.025 0.000 1.003 123 V HN 1.064 nan 8.190 nan 0.000 0.425 124 A N 7.686 130.498 122.820 -0.014 0.000 2.483 124 A HA 0.717 5.037 4.320 -0.000 0.000 0.308 124 A C -0.290 177.335 177.584 0.068 0.000 1.291 124 A CA -0.589 51.501 52.037 0.089 0.000 0.774 124 A CB 0.475 19.570 19.000 0.158 0.000 1.134 124 A HN 0.876 nan 8.150 nan 0.000 0.471 125 M N 1.763 121.449 119.600 0.145 0.000 2.243 125 M HA 0.258 4.738 4.480 -0.000 0.000 0.341 125 M C 1.686 178.161 176.300 0.293 0.000 1.130 125 M CA 0.221 55.637 55.300 0.193 0.000 1.162 125 M CB 1.022 33.778 32.600 0.260 0.000 1.497 125 M HN 0.787 nan 8.290 nan 0.000 0.456 126 A N 2.588 125.593 122.820 0.308 0.000 1.842 126 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 126 A C 0.515 178.331 177.584 0.387 0.000 1.206 126 A CA 2.175 54.470 52.037 0.431 0.000 0.630 126 A CB -0.374 18.785 19.000 0.265 0.000 0.839 126 A HN 0.877 nan 8.150 nan 0.000 0.447 127 E N -2.880 117.492 120.200 0.287 0.000 2.335 127 E HA 0.538 4.888 4.350 -0.000 0.000 0.280 127 E C -0.464 176.237 176.600 0.168 0.000 0.918 127 E CA -0.298 56.233 56.400 0.217 0.000 0.765 127 E CB 1.322 31.094 29.700 0.120 0.000 1.218 127 E HN 0.114 nan 8.360 nan 0.000 0.425 128 E N 2.158 122.356 120.200 -0.004 0.000 2.536 128 E HA 0.041 4.390 4.350 -0.000 0.000 0.220 128 E C 0.219 176.583 176.600 -0.393 0.000 0.876 128 E CA 0.319 56.576 56.400 -0.237 0.000 1.190 128 E CB 0.464 29.978 29.700 -0.309 0.000 1.191 128 E HN 0.638 nan 8.360 nan 0.000 0.557 129 E N 0.278 120.335 120.200 -0.237 0.000 2.170 129 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 129 E C 1.092 177.619 176.600 -0.123 0.000 0.981 129 E CA 0.885 57.180 56.400 -0.175 0.000 0.830 129 E CB 0.120 29.756 29.700 -0.108 0.000 0.775 129 E HN 0.347 nan 8.360 nan 0.000 0.470 130 G N 2.322 111.089 108.800 -0.056 0.000 2.249 130 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.273 130 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.273 130 G C 0.948 175.843 174.900 -0.008 0.000 1.036 130 G CA 0.865 45.973 45.100 0.014 0.000 0.824 130 G HN 0.367 nan 8.290 nan 0.000 0.504 131 S N -1.546 114.129 115.700 -0.042 0.000 2.607 131 S HA 0.176 4.646 4.470 -0.000 0.000 0.224 131 S C 1.749 176.285 174.600 -0.107 0.000 0.969 131 S CA 1.082 59.238 58.200 -0.074 0.000 0.927 131 S CB 0.344 63.491 63.200 -0.088 0.000 0.772 131 S HN 0.743 nan 8.310 nan 0.000 0.533 132 R N -0.614 119.808 120.500 -0.130 0.000 2.197 132 R HA 0.408 4.748 4.340 -0.000 0.000 0.188 132 R C -0.673 175.370 176.300 -0.428 0.000 1.015 132 R CA 0.101 55.994 56.100 -0.346 0.000 1.132 132 R CB 0.341 30.328 30.300 -0.520 0.000 1.134 132 R HN 0.377 nan 8.270 nan 0.000 0.560 133 F N 1.762 121.713 119.950 0.001 0.000 2.483 133 F HA 0.454 4.981 4.527 -0.000 0.000 0.329 133 F C -1.798 174.043 175.800 0.069 0.000 1.064 133 F CA -2.756 55.279 58.000 0.059 0.000 0.986 133 F CB 1.255 40.357 39.000 0.170 0.000 1.218 133 F HN -0.007 nan 8.300 nan 0.000 0.484 134 P HA 0.081 nan 4.420 nan 0.000 0.230 134 P C -1.446 175.991 177.300 0.228 0.000 1.791 134 P CA 0.424 63.625 63.100 0.167 0.000 1.020 134 P CB -0.279 31.487 31.700 0.109 0.000 1.977 135 Y N 1.231 121.579 120.300 0.080 0.000 2.620 135 Y HA 0.401 4.951 4.550 -0.000 0.000 0.331 135 Y C -1.487 174.467 175.900 0.090 0.000 1.173 135 Y CA -0.911 57.233 58.100 0.072 0.000 1.076 135 Y CB 1.808 40.279 38.460 0.018 0.000 1.336 135 Y HN 0.083 nan 8.280 nan 0.000 0.459 136 V N 1.150 120.902 119.914 -0.269 0.000 2.876 136 V HA 0.639 4.759 4.120 -0.000 0.000 0.312 136 V C -0.451 175.657 176.094 0.025 0.000 1.085 136 V CA -1.067 61.143 62.300 -0.149 0.000 0.945 136 V CB 1.744 33.394 31.823 -0.289 0.000 1.017 136 V HN 1.054 nan 8.190 nan 0.000 0.428 137 F N 1.055 121.104 119.950 0.165 0.000 2.965 137 F HA -0.196 4.331 4.527 -0.000 0.000 0.287 137 F C 1.171 177.184 175.800 0.354 0.000 0.790 137 F CA 1.264 59.386 58.000 0.204 0.000 1.279 137 F CB -1.133 37.935 39.000 0.112 0.000 1.409 137 F HN 0.874 nan 8.300 nan 0.000 0.446 138 W N 1.184 122.742 121.300 0.431 0.000 2.364 138 W HA -0.126 4.534 4.660 0.000 0.000 0.281 138 W C 1.560 178.227 176.519 0.247 0.000 1.219 138 W CA 1.818 59.400 57.345 0.395 0.000 1.220 138 W CB -0.398 29.243 29.460 0.303 0.000 1.127 138 W HN 0.273 nan 8.180 nan 0.000 0.556 139 G N 0.662 109.609 108.800 0.245 0.000 2.499 139 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.213 139 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.213 139 G C 1.634 176.574 174.900 0.067 0.000 1.230 139 G CA 1.683 46.841 45.100 0.096 0.000 0.813 139 G HN 0.308 nan 8.290 nan 0.000 0.542 140 S N 0.775 116.601 115.700 0.210 0.000 2.382 140 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 140 S C 2.073 176.684 174.600 0.019 0.000 1.027 140 S CA 1.533 59.817 58.200 0.140 0.000 0.991 140 S CB -0.270 63.115 63.200 0.308 0.000 0.823 140 S HN 0.388 nan 8.310 nan 0.000 0.469 141 K N 1.355 121.806 120.400 0.085 0.000 2.097 141 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 141 K C 1.997 178.567 176.600 -0.049 0.000 1.049 141 K CA 1.243 57.562 56.287 0.053 0.000 0.933 141 K CB -0.295 32.305 32.500 0.167 0.000 0.717 141 K HN 0.389 nan 8.250 nan 0.000 0.442 142 N N 1.055 119.646 118.700 -0.183 0.000 2.270 142 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 142 N C 1.828 177.200 175.510 -0.229 0.000 1.016 142 N CA 0.842 53.728 53.050 -0.273 0.000 0.870 142 N CB -0.022 38.179 38.487 -0.477 0.000 0.979 142 N HN 0.181 nan 8.380 nan 0.000 0.431 143 I N -0.083 120.323 120.570 -0.274 0.000 2.264 143 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 143 I C 0.674 176.408 176.117 -0.638 0.000 1.111 143 I CA 1.341 62.371 61.300 -0.449 0.000 1.382 143 I CB -0.192 37.438 38.000 -0.617 0.000 1.060 143 I HN -0.002 nan 8.210 nan 0.000 0.418 144 F N 0.414 120.232 119.950 -0.221 0.000 2.684 144 F HA 0.340 4.866 4.527 -0.000 0.000 0.298 144 F C 1.542 177.262 175.800 -0.133 0.000 1.120 144 F CA -0.013 57.872 58.000 -0.193 0.000 1.332 144 F CB 0.168 39.015 39.000 -0.256 0.000 0.986 144 F HN 0.080 nan 8.300 nan 0.000 0.524 145 G N 1.136 109.919 108.800 -0.028 0.000 2.321 145 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.287 145 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.287 145 G C 0.776 175.677 174.900 0.003 0.000 1.018 145 G CA 0.632 45.716 45.100 -0.026 0.000 0.855 145 G HN 0.526 nan 8.290 nan 0.000 0.507 146 L N -1.156 120.077 121.223 0.017 0.000 2.585 146 L HA 0.355 4.695 4.340 -0.000 0.000 0.226 146 L C 2.858 179.771 176.870 0.071 0.000 1.113 146 L CA 0.634 55.496 54.840 0.037 0.000 0.876 146 L CB -0.404 41.675 42.059 0.033 0.000 1.072 146 L HN 0.336 nan 8.230 nan 0.000 0.468 147 A N 1.115 123.963 122.820 0.048 0.000 1.824 147 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 147 A C 0.911 178.587 177.584 0.153 0.000 1.209 147 A CA 1.469 53.576 52.037 0.117 0.000 0.614 147 A CB -0.471 18.462 19.000 -0.111 0.000 0.852 147 A HN 0.605 nan 8.150 nan 0.000 0.447 148 N N -2.311 116.439 118.700 0.082 0.000 2.400 148 N HA -0.082 4.658 4.740 -0.000 0.000 0.278 148 N C -2.108 173.450 175.510 0.080 0.000 1.405 148 N CA 0.660 53.755 53.050 0.074 0.000 0.709 148 N CB -1.038 37.493 38.487 0.074 0.000 0.896 148 N HN 0.051 nan 8.380 nan 0.000 0.495 149 P HA -0.123 nan 4.420 nan 0.000 0.217 149 P C 0.620 177.874 177.300 -0.078 0.000 1.148 149 P CA 1.154 64.272 63.100 0.032 0.000 0.828 149 P CB 0.110 31.838 31.700 0.048 0.000 0.783 150 D N -0.735 119.639 120.400 -0.044 0.000 2.265 150 D HA -0.144 4.495 4.640 -0.000 0.000 0.208 150 D C 1.093 177.337 176.300 -0.093 0.000 0.977 150 D CA 1.048 55.012 54.000 -0.060 0.000 0.871 150 D CB -0.518 40.267 40.800 -0.025 0.000 0.925 150 D HN 0.218 nan 8.370 nan 0.000 0.485 151 D N -0.615 119.724 120.400 -0.101 0.000 2.347 151 D HA -0.057 4.583 4.640 -0.000 0.000 0.213 151 D C 1.920 178.041 176.300 -0.298 0.000 0.985 151 D CA 0.325 54.262 54.000 -0.105 0.000 0.879 151 D CB 0.608 41.436 40.800 0.048 0.000 0.919 151 D HN 0.274 nan 8.370 nan 0.000 0.526 152 V N -3.315 116.292 119.914 -0.512 0.000 3.451 152 V HA 0.306 4.426 4.120 -0.000 0.000 0.288 152 V C 1.902 177.605 176.094 -0.651 0.000 1.502 152 V CA -0.294 61.485 62.300 -0.868 0.000 1.026 152 V CB 0.177 30.871 31.823 -1.881 0.000 0.840 152 V HN -0.186 nan 8.190 nan 0.000 0.437 153 R N 1.219 121.489 120.500 -0.384 0.000 2.105 153 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 153 R C 1.832 178.035 176.300 -0.161 0.000 1.135 153 R CA 2.608 58.572 56.100 -0.227 0.000 0.967 153 R CB -0.018 30.201 30.300 -0.135 0.000 0.861 153 R HN 0.651 nan 8.270 nan 0.000 0.442 154 N N -1.084 117.528 118.700 -0.148 0.000 2.516 154 N HA 0.085 4.825 4.740 -0.000 0.000 0.197 154 N C -0.167 175.297 175.510 -0.077 0.000 1.064 154 N CA 0.215 53.213 53.050 -0.086 0.000 0.866 154 N CB 0.534 38.984 38.487 -0.060 0.000 1.255 154 N HN -0.018 nan 8.380 nan 0.000 0.447 155 I N 2.250 122.750 120.570 -0.117 0.000 2.737 155 I HA 0.006 4.176 4.170 -0.000 0.000 0.293 155 I C -0.385 175.703 176.117 -0.047 0.000 1.056 155 I CA -0.185 61.072 61.300 -0.073 0.000 2.394 155 I CB -2.192 35.757 38.000 -0.086 0.000 1.586 155 I HN 0.059 nan 8.210 nan 0.000 1.074 156 C N 3.227 122.543 119.300 0.027 0.000 2.271 156 C HA 0.585 5.045 4.460 -0.000 0.000 0.323 156 C C -0.029 175.104 174.990 0.239 0.000 1.245 156 C CA -0.608 58.507 59.018 0.160 0.000 1.548 156 C CB 0.013 27.812 27.740 0.099 0.000 2.214 156 C HN 0.793 nan 8.230 nan 0.000 0.477 157 D N 0.972 121.609 120.400 0.394 0.000 2.349 157 D HA 0.398 5.038 4.640 -0.000 0.000 0.224 157 D C 0.008 176.319 176.300 0.019 0.000 1.323 157 D CA -0.407 53.700 54.000 0.178 0.000 0.917 157 D CB -0.066 40.788 40.800 0.091 0.000 1.524 157 D HN 0.405 nan 8.370 nan 0.000 0.505 158 A N 3.023 125.775 122.820 -0.113 0.000 1.838 158 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 158 A C 0.789 178.297 177.584 -0.126 0.000 1.273 158 A CA 0.682 52.550 52.037 -0.281 0.000 0.602 158 A CB 0.015 18.823 19.000 -0.320 0.000 0.934 158 A HN 0.379 nan 8.150 nan 0.000 0.461 159 K N -2.104 118.248 120.400 -0.080 0.000 3.350 159 K HA 0.466 4.786 4.320 -0.000 0.000 0.167 159 K C 0.020 176.605 176.600 -0.024 0.000 1.058 159 K CA 0.393 56.652 56.287 -0.048 0.000 0.783 159 K CB 0.736 33.205 32.500 -0.052 0.000 0.872 159 K HN 0.967 nan 8.250 nan 0.000 0.561 160 G N 0.359 109.156 108.800 -0.005 0.000 2.179 160 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 160 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 160 G C -0.501 174.414 174.900 0.024 0.000 0.990 160 G CA -0.687 44.418 45.100 0.009 0.000 0.646 160 G HN 0.355 nan 8.290 nan 0.000 0.517 161 N N 1.027 119.746 118.700 0.031 0.000 2.434 161 N HA 0.456 5.196 4.740 -0.000 0.000 0.272 161 N C -0.172 175.439 175.510 0.169 0.000 1.040 161 N CA 0.352 53.442 53.050 0.067 0.000 0.956 161 N CB 1.628 40.133 38.487 0.030 0.000 1.108 161 N HN 0.250 nan 8.380 nan 0.000 0.481 162 S N 2.576 118.358 115.700 0.137 0.000 2.523 162 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 162 S C 1.296 175.982 174.600 0.143 0.000 1.281 162 S CA -0.597 57.687 58.200 0.141 0.000 1.050 162 S CB 0.127 63.361 63.200 0.057 0.000 0.937 162 S HN 0.486 nan 8.310 nan 0.000 0.492 163 F N 5.088 124.964 119.950 -0.124 0.000 2.091 163 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 163 F C 1.931 177.499 175.800 -0.386 0.000 1.103 163 F CA 2.083 59.715 58.000 -0.613 0.000 1.228 163 F CB -0.275 38.193 39.000 -0.887 0.000 0.984 163 F HN 0.536 nan 8.300 nan 0.000 0.477 164 V N 0.205 120.150 119.914 0.053 0.000 2.407 164 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 164 V C 1.977 178.022 176.094 -0.083 0.000 1.055 164 V CA 2.162 64.458 62.300 -0.006 0.000 1.049 164 V CB -0.673 31.145 31.823 -0.008 0.000 0.662 164 V HN 0.368 nan 8.190 nan 0.000 0.455 165 D N 0.439 120.803 120.400 -0.060 0.000 2.123 165 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 165 D C 2.270 178.508 176.300 -0.103 0.000 0.976 165 D CA 1.563 55.525 54.000 -0.062 0.000 0.831 165 D CB -0.126 40.661 40.800 -0.021 0.000 0.974 165 D HN 0.438 nan 8.370 nan 0.000 0.469 166 A N 1.055 123.811 122.820 -0.106 0.000 1.972 166 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 166 A C 2.181 179.566 177.584 -0.331 0.000 1.169 166 A CA 1.235 53.202 52.037 -0.116 0.000 0.635 166 A CB -0.537 18.474 19.000 0.019 0.000 0.810 166 A HN 0.177 nan 8.150 nan 0.000 0.446 167 M N -1.014 118.252 119.600 -0.556 0.000 2.099 167 M HA -0.147 4.332 4.480 -0.000 0.000 0.262 167 M C 2.124 178.180 176.300 -0.406 0.000 1.067 167 M CA 2.286 57.048 55.300 -0.897 0.000 1.124 167 M CB -0.040 32.135 32.600 -0.709 0.000 1.353 167 M HN 0.279 nan 8.290 nan 0.000 0.410 168 K N 0.664 120.922 120.400 -0.236 0.000 2.148 168 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 168 K C 1.618 178.129 176.600 -0.148 0.000 1.050 168 K CA 1.667 57.864 56.287 -0.150 0.000 0.942 168 K CB -0.561 31.881 32.500 -0.098 0.000 0.724 168 K HN 0.383 nan 8.250 nan 0.000 0.446 169 A N -0.385 122.354 122.820 -0.135 0.000 2.070 169 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 169 A C 1.957 179.487 177.584 -0.090 0.000 1.159 169 A CA 1.553 53.535 52.037 -0.090 0.000 0.656 169 A CB -0.740 18.226 19.000 -0.056 0.000 0.800 169 A HN 0.479 nan 8.150 nan 0.000 0.453 170 C N -1.413 117.812 119.300 -0.126 0.000 2.791 170 C HA 0.495 4.955 4.460 -0.000 0.000 0.270 170 C C 1.795 176.556 174.990 -0.382 0.000 1.257 170 C CA 0.108 59.079 59.018 -0.078 0.000 1.699 170 C CB -0.959 26.880 27.740 0.165 0.000 1.904 170 C HN 1.063 nan 8.230 nan 0.000 0.603 171 G N 0.449 109.007 108.800 -0.404 0.000 2.132 171 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 171 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 171 G C -0.372 174.081 174.900 -0.744 0.000 1.000 171 G CA -0.308 44.456 45.100 -0.560 0.000 0.693 171 G HN 0.395 nan 8.290 nan 0.000 0.515 172 F N 0.170 120.029 119.950 -0.152 0.000 2.551 172 F HA 0.744 5.270 4.527 -0.000 0.000 0.316 172 F C 0.413 176.145 175.800 -0.113 0.000 1.089 172 F CA -0.493 57.435 58.000 -0.119 0.000 0.915 172 F CB 2.379 41.297 39.000 -0.135 0.000 1.186 172 F HN 0.146 nan 8.300 nan 0.000 0.456 173 T N 3.877 118.518 114.554 0.145 0.000 2.792 173 T HA 0.635 4.984 4.350 -0.000 0.000 0.280 173 T C -0.652 174.120 174.700 0.119 0.000 0.990 173 T CA -0.862 61.286 62.100 0.080 0.000 0.960 173 T CB 0.518 69.414 68.868 0.046 0.000 0.939 173 T HN 0.734 nan 8.240 nan 0.000 0.439 174 L N 4.624 125.917 121.223 0.116 0.000 2.453 174 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 174 L C -1.988 174.946 176.870 0.107 0.000 1.182 174 L CA -1.501 53.438 54.840 0.165 0.000 0.858 174 L CB -0.255 41.906 42.059 0.169 0.000 1.120 174 L HN 0.428 nan 8.230 nan 0.000 0.474 175 P HA 0.102 nan 4.420 nan 0.000 0.271 175 P C -0.748 176.579 177.300 0.046 0.000 1.233 175 P CA -0.195 62.943 63.100 0.062 0.000 0.789 175 P CB 0.552 32.280 31.700 0.046 0.000 0.951 176 N N -0.581 118.136 118.700 0.029 0.000 2.412 176 N HA 0.300 5.040 4.740 -0.000 0.000 0.184 176 N C 0.356 175.875 175.510 0.015 0.000 1.101 176 N CA 0.219 53.280 53.050 0.018 0.000 0.881 176 N CB 0.151 38.646 38.487 0.013 0.000 0.969 176 N HN 0.562 nan 8.380 nan 0.000 0.459 177 A N -0.343 122.488 122.820 0.018 0.000 2.586 177 A HA 0.553 4.873 4.320 -0.000 0.000 0.291 177 A C -2.888 174.702 177.584 0.010 0.000 1.062 177 A CA -1.242 50.803 52.037 0.013 0.000 0.666 177 A CB 0.227 19.232 19.000 0.008 0.000 1.281 177 A HN -0.162 nan 8.150 nan 0.000 0.421 178 P HA 0.271 nan 4.420 nan 0.000 0.264 178 P C -0.365 176.925 177.300 -0.017 0.000 1.179 178 P CA 0.150 63.247 63.100 -0.005 0.000 0.763 178 P CB 0.132 31.834 31.700 0.004 0.000 0.806 179 L N 2.042 123.241 121.223 -0.040 0.000 2.475 179 L HA 0.184 4.524 4.340 -0.000 0.000 0.250 179 L C 1.064 177.912 176.870 -0.036 0.000 1.224 179 L CA 0.831 55.645 54.840 -0.043 0.000 0.821 179 L CB -0.411 41.604 42.059 -0.073 0.000 1.141 179 L HN 0.273 nan 8.230 nan 0.000 0.494 180 T N 2.900 117.432 114.554 -0.037 0.000 2.729 180 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 180 T C -2.272 172.399 174.700 -0.049 0.000 0.928 180 T CA -0.923 61.158 62.100 -0.031 0.000 1.045 180 T CB 0.465 69.318 68.868 -0.026 0.000 0.902 180 T HN 0.392 nan 8.240 nan 0.000 0.500 181 P HA 0.106 nan 4.420 nan 0.000 0.265 181 P C -0.038 177.225 177.300 -0.062 0.000 1.193 181 P CA -0.309 62.767 63.100 -0.040 0.000 0.765 181 P CB 0.818 32.550 31.700 0.053 0.000 0.823 182 R N 2.168 122.575 120.500 -0.154 0.000 2.643 182 R HA 0.094 4.434 4.340 -0.000 0.000 0.270 182 R C 0.993 177.278 176.300 -0.025 0.000 1.061 182 R CA 0.265 56.289 56.100 -0.127 0.000 1.107 182 R CB 0.334 30.503 30.300 -0.220 0.000 0.999 182 R HN 0.565 nan 8.270 nan 0.000 0.460 183 Q N 0.630 120.428 119.800 -0.003 0.000 2.086 183 Q HA 0.007 4.346 4.340 -0.000 0.000 0.220 183 Q C -0.402 175.616 176.000 0.031 0.000 0.792 183 Q CA -0.061 55.763 55.803 0.036 0.000 1.062 183 Q CB 0.884 29.637 28.738 0.024 0.000 1.198 183 Q HN 0.629 nan 8.270 nan 0.000 0.466 184 D N -0.454 119.957 120.400 0.018 0.000 2.398 184 D HA 0.044 4.683 4.640 -0.000 0.000 0.210 184 D C 0.390 176.716 176.300 0.042 0.000 1.094 184 D CA -0.147 53.863 54.000 0.017 0.000 0.839 184 D CB 0.398 41.191 40.800 -0.012 0.000 0.963 184 D HN 0.204 nan 8.370 nan 0.000 0.506 185 I N 1.302 121.921 120.570 0.082 0.000 2.421 185 I HA 0.070 4.240 4.170 -0.000 0.000 0.291 185 I C 1.134 177.331 176.117 0.134 0.000 1.089 185 I CA -0.372 61.009 61.300 0.135 0.000 1.354 185 I CB 1.118 39.257 38.000 0.232 0.000 1.413 185 I HN -0.342 nan 8.210 nan 0.000 0.513 186 K N 4.619 125.080 120.400 0.103 0.000 2.243 186 K HA 0.293 4.613 4.320 -0.000 0.000 0.201 186 K C 0.231 176.893 176.600 0.103 0.000 1.051 186 K CA 0.364 56.696 56.287 0.075 0.000 0.970 186 K CB 0.260 32.778 32.500 0.030 0.000 0.755 186 K HN 0.776 nan 8.250 nan 0.000 0.465 187 A N -0.605 122.306 122.820 0.152 0.000 2.597 187 A HA 0.574 4.894 4.320 -0.000 0.000 0.292 187 A C -1.930 175.814 177.584 0.267 0.000 1.057 187 A CA -0.800 51.343 52.037 0.176 0.000 0.674 187 A CB 0.655 19.715 19.000 0.100 0.000 1.278 187 A HN 0.010 nan 8.150 nan 0.000 0.416 188 F N 1.265 121.250 119.950 0.060 0.000 2.547 188 F HA 0.701 5.228 4.527 -0.000 0.000 0.316 188 F C -1.292 174.475 175.800 -0.055 0.000 1.121 188 F CA -0.901 57.084 58.000 -0.025 0.000 0.911 188 F CB 2.182 41.099 39.000 -0.137 0.000 1.179 188 F HN 0.437 nan 8.300 nan 0.000 0.443 189 V N 5.518 124.996 119.914 -0.727 0.000 2.443 189 V HA 0.379 4.498 4.120 -0.000 0.000 0.293 189 V C -0.791 174.795 176.094 -0.847 0.000 1.021 189 V CA -0.780 61.150 62.300 -0.616 0.000 0.848 189 V CB 1.538 33.204 31.823 -0.262 0.000 0.998 189 V HN 0.770 nan 8.190 nan 0.000 0.424 190 E N 4.789 124.559 120.200 -0.717 0.000 2.145 190 E HA 0.442 4.792 4.350 -0.000 0.000 0.270 190 E C -1.404 175.096 176.600 -0.167 0.000 0.906 190 E CA -0.654 55.482 56.400 -0.441 0.000 0.761 190 E CB 1.650 31.162 29.700 -0.314 0.000 1.116 190 E HN 0.569 nan 8.360 nan 0.000 0.408 191 L N 6.117 127.302 121.223 -0.064 0.000 2.289 191 L HA 0.462 4.801 4.340 -0.000 0.000 0.285 191 L C -1.359 175.616 176.870 0.175 0.000 1.049 191 L CA -0.132 54.736 54.840 0.047 0.000 0.804 191 L CB 0.962 43.040 42.059 0.031 0.000 1.195 191 L HN 0.786 nan 8.230 nan 0.000 0.428 192 H N 4.598 123.752 119.070 0.141 0.000 3.064 192 H HA 0.338 4.894 4.556 -0.000 0.000 0.352 192 H C -0.700 174.709 175.328 0.134 0.000 1.260 192 H CA -0.580 55.557 56.048 0.148 0.000 1.160 192 H CB 2.178 31.977 29.762 0.063 0.000 1.879 192 H HN 0.681 nan 8.280 nan 0.000 0.544 193 I N -0.025 120.620 120.570 0.126 0.000 2.836 193 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 193 I C 1.528 177.534 176.117 -0.184 0.000 1.174 193 I CA 0.022 61.318 61.300 -0.007 0.000 1.405 193 I CB 0.736 38.684 38.000 -0.086 0.000 1.385 193 I HN 0.673 nan 8.210 nan 0.000 0.594 194 E N 2.861 122.772 120.200 -0.481 0.000 2.110 194 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 194 E C 0.577 176.871 176.600 -0.509 0.000 0.988 194 E CA 1.393 57.237 56.400 -0.926 0.000 0.804 194 E CB 0.051 29.421 29.700 -0.550 0.000 0.745 194 E HN 0.860 nan 8.360 nan 0.000 0.458 195 Q N -1.376 118.278 119.800 -0.243 0.000 2.489 195 Q HA -0.183 4.157 4.340 -0.000 0.000 0.259 195 Q C -0.178 175.739 176.000 -0.139 0.000 0.934 195 Q CA 0.354 56.073 55.803 -0.140 0.000 1.131 195 Q CB -1.568 27.114 28.738 -0.092 0.000 1.472 195 Q HN 0.418 nan 8.270 nan 0.000 0.560 196 G N -1.285 107.420 108.800 -0.157 0.000 2.827 196 G HA2 0.481 4.440 3.960 -0.000 0.000 0.296 196 G HA3 0.481 4.440 3.960 -0.000 0.000 0.296 196 G C 0.093 174.938 174.900 -0.092 0.000 1.362 196 G CA -0.130 44.903 45.100 -0.112 0.000 0.809 196 G HN 0.479 nan 8.290 nan 0.000 0.522 197 C N -0.376 118.885 119.300 -0.064 0.000 3.243 197 C HA 0.473 4.933 4.460 -0.000 0.000 0.286 197 C C 2.094 177.060 174.990 -0.039 0.000 1.373 197 C CA 0.153 59.142 59.018 -0.048 0.000 1.749 197 C CB -0.855 26.866 27.740 -0.031 0.000 2.313 197 C HN 0.321 nan 8.230 nan 0.000 0.644 198 V N 2.099 121.987 119.914 -0.043 0.000 2.295 198 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 198 V C 2.691 178.774 176.094 -0.019 0.000 1.049 198 V CA 2.435 64.719 62.300 -0.027 0.000 1.024 198 V CB -0.649 31.158 31.823 -0.025 0.000 0.648 198 V HN 0.623 nan 8.190 nan 0.000 0.447 199 L N -0.219 120.991 121.223 -0.022 0.000 2.017 199 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 199 L C 2.642 179.501 176.870 -0.018 0.000 1.073 199 L CA 2.079 56.913 54.840 -0.010 0.000 0.745 199 L CB -0.612 41.444 42.059 -0.004 0.000 0.894 199 L HN 0.432 nan 8.230 nan 0.000 0.432 200 E N 0.135 120.317 120.200 -0.029 0.000 2.051 200 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 200 E C 2.230 178.818 176.600 -0.021 0.000 0.991 200 E CA 1.621 58.005 56.400 -0.027 0.000 0.799 200 E CB 0.073 29.753 29.700 -0.034 0.000 0.748 200 E HN 0.322 nan 8.360 nan 0.000 0.449 201 S N 0.802 116.490 115.700 -0.020 0.000 2.402 201 S HA -0.110 4.360 4.470 -0.000 0.000 0.233 201 S C 1.329 175.921 174.600 -0.014 0.000 1.030 201 S CA 1.108 59.299 58.200 -0.015 0.000 1.003 201 S CB -0.193 63.000 63.200 -0.013 0.000 0.813 201 S HN 0.338 nan 8.310 nan 0.000 0.477 202 N N 0.278 118.969 118.700 -0.015 0.000 2.230 202 N HA 0.144 4.884 4.740 -0.000 0.000 0.202 202 N C 0.938 176.438 175.510 -0.017 0.000 1.119 202 N CA 0.567 53.607 53.050 -0.016 0.000 0.851 202 N CB 0.643 39.119 38.487 -0.018 0.000 0.990 202 N HN 0.450 nan 8.380 nan 0.000 0.497 203 G N 1.762 110.552 108.800 -0.015 0.000 2.305 203 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.287 203 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.287 203 G C -0.099 174.795 174.900 -0.011 0.000 1.036 203 G CA 0.451 45.542 45.100 -0.014 0.000 0.887 203 G HN 0.398 nan 8.290 nan 0.000 0.505 204 Q N -0.959 118.836 119.800 -0.008 0.000 2.241 204 Q HA 0.678 5.018 4.340 -0.000 0.000 0.262 204 Q C 1.102 177.111 176.000 0.014 0.000 1.014 204 Q CA -0.249 55.555 55.803 0.002 0.000 0.885 204 Q CB 1.627 30.364 28.738 -0.001 0.000 1.311 204 Q HN 0.450 nan 8.270 nan 0.000 0.461 205 S N -0.736 114.983 115.700 0.032 0.000 2.549 205 S HA 0.282 4.752 4.470 -0.000 0.000 0.225 205 S C 0.420 175.056 174.600 0.059 0.000 1.039 205 S CA -0.130 58.090 58.200 0.033 0.000 0.942 205 S CB 0.759 63.973 63.200 0.024 0.000 0.881 205 S HN 0.413 nan 8.310 nan 0.000 0.503 206 I N 2.055 122.683 120.570 0.096 0.000 2.545 206 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 206 I C -0.122 176.093 176.117 0.165 0.000 1.040 206 I CA -0.535 60.838 61.300 0.122 0.000 1.068 206 I CB 1.432 39.500 38.000 0.113 0.000 1.251 206 I HN 0.250 nan 8.210 nan 0.000 0.424 207 G N 5.216 114.117 108.800 0.167 0.000 2.557 207 G HA2 0.545 4.505 3.960 -0.000 0.000 0.310 207 G HA3 0.545 4.505 3.960 -0.000 0.000 0.310 207 G C -0.993 173.944 174.900 0.061 0.000 1.328 207 G CA -0.314 44.888 45.100 0.170 0.000 0.945 207 G HN 0.281 nan 8.290 nan 0.000 0.494 208 V N 3.584 123.534 119.914 0.059 0.000 2.353 208 V HA 0.207 4.327 4.120 -0.000 0.000 0.264 208 V C 0.546 176.600 176.094 -0.067 0.000 1.049 208 V CA -0.658 61.624 62.300 -0.031 0.000 0.896 208 V CB 1.070 32.884 31.823 -0.015 0.000 1.025 208 V HN 0.558 nan 8.190 nan 0.000 0.475 209 V N 6.432 126.233 119.914 -0.188 0.000 2.488 209 V HA 0.295 4.415 4.120 -0.000 0.000 0.277 209 V C 1.114 177.143 176.094 -0.108 0.000 1.046 209 V CA 0.034 62.209 62.300 -0.208 0.000 0.986 209 V CB 1.456 32.998 31.823 -0.468 0.000 0.989 209 V HN 1.039 nan 8.190 nan 0.000 0.475 210 N N 5.465 124.142 118.700 -0.039 0.000 2.282 210 N HA 0.475 5.215 4.740 -0.000 0.000 0.185 210 N C -0.134 175.376 175.510 -0.000 0.000 1.099 210 N CA 0.540 53.582 53.050 -0.013 0.000 0.878 210 N CB 0.741 39.234 38.487 0.011 0.000 0.993 210 N HN 0.953 nan 8.380 nan 0.000 0.481 211 A N -0.242 122.587 122.820 0.015 0.000 2.597 211 A HA 0.604 4.923 4.320 -0.000 0.000 0.292 211 A C -1.840 175.783 177.584 0.065 0.000 1.057 211 A CA -0.804 51.252 52.037 0.031 0.000 0.674 211 A CB 0.602 19.617 19.000 0.025 0.000 1.278 211 A HN 0.106 nan 8.150 nan 0.000 0.416 212 I N 1.224 121.834 120.570 0.066 0.000 2.404 212 I HA 0.419 4.589 4.170 -0.000 0.000 0.293 212 I C 0.304 176.468 176.117 0.078 0.000 0.992 212 I CA -1.029 60.331 61.300 0.100 0.000 1.149 212 I CB 1.785 39.849 38.000 0.107 0.000 1.315 212 I HN 0.532 nan 8.210 nan 0.000 0.446 213 V N 5.881 125.852 119.914 0.095 0.000 2.963 213 V HA 0.370 4.490 4.120 -0.000 0.000 0.306 213 V C 0.771 176.892 176.094 0.044 0.000 1.077 213 V CA 0.189 62.523 62.300 0.055 0.000 1.124 213 V CB 1.356 33.220 31.823 0.069 0.000 0.987 213 V HN 0.889 nan 8.190 nan 0.000 0.487 214 G N 4.120 112.942 108.800 0.038 0.000 2.477 214 G HA2 0.615 4.574 3.960 -0.000 0.000 0.304 214 G HA3 0.615 4.574 3.960 -0.000 0.000 0.304 214 G C -1.056 173.855 174.900 0.019 0.000 1.175 214 G CA -0.484 44.632 45.100 0.027 0.000 0.907 214 G HN 0.763 nan 8.290 nan 0.000 0.509 215 Q N -0.454 119.342 119.800 -0.007 0.000 2.379 215 Q HA 0.538 4.878 4.340 -0.000 0.000 0.278 215 Q C -0.948 174.998 176.000 -0.090 0.000 1.068 215 Q CA -0.798 54.984 55.803 -0.034 0.000 0.816 215 Q CB 3.215 31.928 28.738 -0.041 0.000 1.387 215 Q HN 0.447 nan 8.270 nan 0.000 0.413 216 R N 1.199 121.631 120.500 -0.113 0.000 2.574 216 R HA 0.572 4.911 4.340 -0.000 0.000 0.288 216 R C -1.033 175.096 176.300 -0.285 0.000 1.004 216 R CA -0.716 55.255 56.100 -0.215 0.000 0.895 216 R CB 2.354 32.599 30.300 -0.092 0.000 1.191 216 R HN 0.497 nan 8.270 nan 0.000 0.444 217 R N 2.531 122.673 120.500 -0.596 0.000 2.574 217 R HA 0.428 4.767 4.340 -0.000 0.000 0.288 217 R C -1.346 174.404 176.300 -0.917 0.000 1.004 217 R CA -0.764 54.908 56.100 -0.715 0.000 0.895 217 R CB 1.822 31.424 30.300 -1.164 0.000 1.191 217 R HN 0.448 nan 8.270 nan 0.000 0.444 218 Y N -0.299 119.743 120.300 -0.430 0.000 2.602 218 Y HA 0.501 5.050 4.550 -0.000 0.000 0.342 218 Y C 0.240 176.200 175.900 0.099 0.000 1.029 218 Y CA -0.901 57.086 58.100 -0.188 0.000 1.080 218 Y CB 2.599 40.989 38.460 -0.116 0.000 1.284 218 Y HN 0.343 nan 8.280 nan 0.000 0.485 219 T N 1.974 116.745 114.554 0.361 0.000 2.881 219 T HA 0.591 4.940 4.350 -0.000 0.000 0.291 219 T C -1.302 173.396 174.700 -0.004 0.000 0.990 219 T CA -0.589 61.631 62.100 0.200 0.000 0.976 219 T CB 0.822 69.833 68.868 0.238 0.000 0.970 219 T HN 0.336 nan 8.240 nan 0.000 0.438 220 V N 3.545 123.274 119.914 -0.309 0.000 2.604 220 V HA 0.638 4.758 4.120 -0.000 0.000 0.305 220 V C 0.061 175.943 176.094 -0.354 0.000 1.043 220 V CA -0.748 61.298 62.300 -0.423 0.000 0.888 220 V CB 2.145 33.476 31.823 -0.820 0.000 0.995 220 V HN 0.931 nan 8.190 nan 0.000 0.429 221 T N 5.729 120.208 114.554 -0.126 0.000 2.829 221 T HA 0.714 5.064 4.350 -0.000 0.000 0.280 221 T C -0.879 173.849 174.700 0.047 0.000 0.999 221 T CA -0.437 61.649 62.100 -0.022 0.000 0.983 221 T CB 1.459 70.326 68.868 -0.001 0.000 0.968 221 T HN 0.213 nan 8.240 nan 0.000 0.446 222 L N 3.598 124.888 121.223 0.111 0.000 2.333 222 L HA 0.506 4.846 4.340 -0.000 0.000 0.280 222 L C -0.262 176.664 176.870 0.093 0.000 1.004 222 L CA -0.554 54.364 54.840 0.130 0.000 0.820 222 L CB 1.277 43.461 42.059 0.208 0.000 1.247 222 L HN 0.593 nan 8.230 nan 0.000 0.416 223 N N 1.591 120.334 118.700 0.072 0.000 2.442 223 N HA 0.718 5.458 4.740 -0.000 0.000 0.274 223 N C 0.219 175.763 175.510 0.056 0.000 1.002 223 N CA -0.282 52.802 53.050 0.058 0.000 0.910 223 N CB 2.104 40.617 38.487 0.044 0.000 1.244 223 N HN 0.741 nan 8.380 nan 0.000 0.492 224 G N 1.062 109.898 108.800 0.059 0.000 3.069 224 G HA2 0.373 4.333 3.960 -0.000 0.000 0.205 224 G HA3 0.373 4.333 3.960 -0.000 0.000 0.205 224 G C -0.957 173.975 174.900 0.054 0.000 1.771 224 G CA 0.011 45.147 45.100 0.059 0.000 0.739 224 G HN 0.465 nan 8.290 nan 0.000 0.784 225 E N -0.433 119.802 120.200 0.059 0.000 2.354 225 E HA 0.456 4.805 4.350 -0.000 0.000 0.283 225 E C -1.475 175.158 176.600 0.055 0.000 0.938 225 E CA -0.492 55.940 56.400 0.054 0.000 0.777 225 E CB 1.822 31.556 29.700 0.057 0.000 1.222 225 E HN 0.266 nan 8.360 nan 0.000 0.423 226 S N 3.044 118.773 115.700 0.047 0.000 2.513 226 S HA 0.489 4.959 4.470 -0.000 0.000 0.276 226 S C -0.357 174.272 174.600 0.048 0.000 1.254 226 S CA -0.608 57.617 58.200 0.042 0.000 1.053 226 S CB 0.573 63.791 63.200 0.030 0.000 0.958 226 S HN 0.404 nan 8.310 nan 0.000 0.491 227 N N 0.490 119.221 118.700 0.052 0.000 2.647 227 N HA 0.190 4.930 4.740 -0.000 0.000 0.266 227 N C -1.354 174.205 175.510 0.082 0.000 1.373 227 N CA -0.663 52.430 53.050 0.072 0.000 0.807 227 N CB 0.969 39.504 38.487 0.079 0.000 1.513 227 N HN 0.615 nan 8.380 nan 0.000 0.505 228 H N 1.127 120.200 119.070 0.005 0.000 2.899 228 H HA 0.185 4.741 4.556 -0.000 0.000 0.303 228 H C 0.695 176.018 175.328 -0.008 0.000 1.042 228 H CA 0.277 56.323 56.048 -0.003 0.000 1.479 228 H CB 0.895 30.652 29.762 -0.009 0.000 1.493 228 H HN 0.702 nan 8.280 nan 0.000 0.534 229 A N 3.933 126.792 122.820 0.065 0.000 2.125 229 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 229 A C 2.136 179.811 177.584 0.152 0.000 1.156 229 A CA 1.414 53.497 52.037 0.077 0.000 0.671 229 A CB -0.248 18.747 19.000 -0.008 0.000 0.794 229 A HN 0.801 nan 8.150 nan 0.000 0.459 230 G N -1.292 107.738 108.800 0.384 0.000 2.742 230 G HA2 0.054 4.013 3.960 -0.000 0.000 0.204 230 G HA3 0.054 4.013 3.960 -0.000 0.000 0.204 230 G C 1.590 176.497 174.900 0.010 0.000 1.126 230 G CA 1.235 46.445 45.100 0.183 0.000 0.829 230 G HN 0.619 nan 8.290 nan 0.000 0.574 231 T N -0.885 113.589 114.554 -0.133 0.000 3.055 231 T HA 0.077 4.427 4.350 -0.000 0.000 0.265 231 T C 0.994 175.611 174.700 -0.137 0.000 1.111 231 T CA 0.896 62.866 62.100 -0.216 0.000 1.118 231 T CB -0.227 68.412 68.868 -0.383 0.000 0.909 231 T HN 0.018 nan 8.240 nan 0.000 0.501 232 T N 4.605 119.123 114.554 -0.060 0.000 2.739 232 T HA 0.418 4.768 4.350 -0.000 0.000 0.298 232 T C -2.534 172.112 174.700 -0.089 0.000 0.929 232 T CA -1.102 60.956 62.100 -0.070 0.000 1.014 232 T CB 1.005 69.883 68.868 0.017 0.000 0.914 232 T HN 0.228 nan 8.240 nan 0.000 0.509 233 P HA 0.112 nan 4.420 nan 0.000 0.268 233 P C 1.339 178.631 177.300 -0.013 0.000 1.208 233 P CA -0.438 62.571 63.100 -0.152 0.000 0.777 233 P CB 0.474 31.977 31.700 -0.329 0.000 0.875 234 M N 1.629 121.238 119.600 0.015 0.000 2.082 234 M HA -0.103 4.377 4.480 -0.000 0.000 0.258 234 M C 2.118 178.486 176.300 0.115 0.000 1.069 234 M CA 2.221 57.544 55.300 0.039 0.000 1.102 234 M CB -2.203 30.396 32.600 -0.001 0.000 1.336 234 M HN 0.580 nan 8.290 nan 0.000 0.404 235 G N -1.705 107.206 108.800 0.185 0.000 2.586 235 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.215 235 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.215 235 G C 0.659 175.727 174.900 0.280 0.000 1.128 235 G CA 0.421 45.656 45.100 0.224 0.000 0.774 235 G HN 0.450 nan 8.290 nan 0.000 0.543 236 Y N 0.005 120.315 120.300 0.016 0.000 2.584 236 Y HA 0.400 4.950 4.550 -0.000 0.000 0.254 236 Y C 1.363 177.280 175.900 0.029 0.000 1.177 236 Y CA -1.173 56.939 58.100 0.021 0.000 1.216 236 Y CB 0.161 38.630 38.460 0.015 0.000 1.172 236 Y HN 0.012 nan 8.280 nan 0.000 0.529 237 R N 0.361 120.968 120.500 0.178 0.000 2.573 237 R HA 0.592 4.932 4.340 -0.000 0.000 0.272 237 R C 0.038 176.406 176.300 0.114 0.000 1.009 237 R CA -0.739 55.438 56.100 0.128 0.000 1.059 237 R CB 1.053 31.415 30.300 0.103 0.000 1.112 237 R HN 0.020 nan 8.270 nan 0.000 0.517 238 R N 1.249 121.813 120.500 0.105 0.000 2.738 238 R HA 0.089 4.429 4.340 -0.000 0.000 0.280 238 R C -1.070 175.295 176.300 0.109 0.000 1.456 238 R CA -0.422 55.738 56.100 0.100 0.000 1.612 238 R CB 0.597 30.943 30.300 0.076 0.000 1.286 238 R HN 0.517 nan 8.270 nan 0.000 0.660 239 D N 0.958 121.444 120.400 0.143 0.000 2.346 239 D HA -0.023 4.617 4.640 -0.000 0.000 0.260 239 D C 0.882 177.277 176.300 0.158 0.000 1.252 239 D CA 0.675 54.767 54.000 0.153 0.000 0.895 239 D CB 1.555 42.468 40.800 0.188 0.000 1.097 239 D HN 0.124 nan 8.370 nan 0.000 0.489 240 T N 2.408 117.036 114.554 0.123 0.000 3.023 240 T HA -0.039 4.310 4.350 -0.000 0.000 0.266 240 T C 1.784 176.570 174.700 0.143 0.000 1.093 240 T CA 0.573 62.746 62.100 0.122 0.000 1.129 240 T CB 0.221 69.154 68.868 0.110 0.000 0.899 240 T HN 0.261 nan 8.240 nan 0.000 0.491 241 V N 0.236 120.237 119.914 0.145 0.000 2.488 241 V HA 0.001 4.121 4.120 -0.000 0.000 0.246 241 V C 1.848 178.073 176.094 0.219 0.000 1.046 241 V CA 1.417 63.815 62.300 0.164 0.000 1.053 241 V CB -0.647 31.245 31.823 0.115 0.000 0.679 241 V HN 0.660 nan 8.190 nan 0.000 0.458 242 Y N 1.204 121.540 120.300 0.059 0.000 2.145 242 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 242 Y C 2.429 178.335 175.900 0.008 0.000 1.145 242 Y CA 1.515 59.630 58.100 0.025 0.000 1.148 242 Y CB -0.167 38.304 38.460 0.018 0.000 0.981 242 Y HN 0.207 nan 8.280 nan 0.000 0.507 243 A N 0.443 123.184 122.820 -0.131 0.000 1.902 243 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 243 A C 2.067 179.549 177.584 -0.169 0.000 1.181 243 A CA 1.587 53.488 52.037 -0.227 0.000 0.623 243 A CB -1.512 17.452 19.000 -0.061 0.000 0.818 243 A HN 0.728 nan 8.150 nan 0.000 0.443 244 F N 2.122 121.959 119.950 -0.190 0.000 2.102 244 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 244 F C 2.717 178.301 175.800 -0.360 0.000 1.105 244 F CA 2.153 59.952 58.000 -0.335 0.000 1.239 244 F CB -0.615 38.187 39.000 -0.329 0.000 0.991 244 F HN 0.308 nan 8.300 nan 0.000 0.474 245 S N 0.331 115.784 115.700 -0.412 0.000 2.383 245 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 245 S C 2.238 176.577 174.600 -0.435 0.000 1.030 245 S CA 1.289 59.206 58.200 -0.472 0.000 1.002 245 S CB -0.835 62.306 63.200 -0.099 0.000 0.829 245 S HN 0.576 nan 8.310 nan 0.000 0.467 246 R N 0.867 121.145 120.500 -0.370 0.000 2.075 246 R HA 0.146 4.486 4.340 -0.000 0.000 0.232 246 R C 2.258 178.366 176.300 -0.320 0.000 1.126 246 R CA 1.572 57.498 56.100 -0.291 0.000 0.963 246 R CB -0.478 29.603 30.300 -0.366 0.000 0.858 246 R HN 0.545 nan 8.270 nan 0.000 0.435 247 I N -0.314 119.995 120.570 -0.434 0.000 2.202 247 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 247 I C 2.657 178.403 176.117 -0.619 0.000 1.091 247 I CA 1.127 62.174 61.300 -0.421 0.000 1.368 247 I CB -0.338 37.450 38.000 -0.353 0.000 1.058 247 I HN 0.416 nan 8.210 nan 0.000 0.410 248 C N 0.440 119.089 119.300 -1.085 0.000 2.436 248 C HA -0.262 4.198 4.460 -0.000 0.000 0.277 248 C C 2.956 177.553 174.990 -0.655 0.000 1.241 248 C CA 1.757 59.941 59.018 -1.390 0.000 1.721 248 C CB -1.089 25.648 27.740 -1.672 0.000 2.043 248 C HN 0.606 nan 8.230 nan 0.000 0.472 249 H N 0.732 119.488 119.070 -0.524 0.000 2.289 249 H HA -0.150 4.406 4.556 -0.000 0.000 0.296 249 H C 2.250 177.468 175.328 -0.183 0.000 1.091 249 H CA 2.655 58.534 56.048 -0.283 0.000 1.274 249 H CB -0.579 29.049 29.762 -0.223 0.000 1.364 249 H HN 0.651 nan 8.280 nan 0.000 0.490 250 Q N -0.549 119.012 119.800 -0.399 0.000 2.230 250 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 250 Q C 2.488 178.372 176.000 -0.194 0.000 0.963 250 Q CA 1.244 56.831 55.803 -0.360 0.000 0.866 250 Q CB 0.219 28.819 28.738 -0.229 0.000 0.931 250 Q HN 0.405 nan 8.270 nan 0.000 0.452 251 S N 0.396 116.012 115.700 -0.139 0.000 2.371 251 S HA -0.084 4.385 4.470 -0.000 0.000 0.224 251 S C 2.145 176.822 174.600 0.129 0.000 1.029 251 S CA 0.822 59.033 58.200 0.019 0.000 0.978 251 S CB -0.105 63.174 63.200 0.132 0.000 0.833 251 S HN 0.127 nan 8.310 nan 0.000 0.466 252 V N 1.726 121.689 119.914 0.082 0.000 2.407 252 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 252 V C 2.492 178.620 176.094 0.056 0.000 1.055 252 V CA 1.824 64.199 62.300 0.125 0.000 1.049 252 V CB -0.643 31.230 31.823 0.083 0.000 0.662 252 V HN 0.363 nan 8.190 nan 0.000 0.455 253 E N 0.415 120.587 120.200 -0.046 0.000 2.058 253 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 253 E C 2.264 178.870 176.600 0.010 0.000 0.997 253 E CA 1.539 57.899 56.400 -0.067 0.000 0.801 253 E CB -0.182 29.400 29.700 -0.197 0.000 0.746 253 E HN 0.516 nan 8.360 nan 0.000 0.450 254 K N -0.374 120.059 120.400 0.056 0.000 2.057 254 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 254 K C 2.158 178.877 176.600 0.198 0.000 1.049 254 K CA 1.042 57.418 56.287 0.149 0.000 0.931 254 K CB -0.199 32.426 32.500 0.209 0.000 0.714 254 K HN 0.151 nan 8.250 nan 0.000 0.440 255 A N 2.077 125.039 122.820 0.236 0.000 1.908 255 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 255 A C 1.919 179.492 177.584 -0.019 0.000 1.181 255 A CA 1.561 53.630 52.037 0.053 0.000 0.627 255 A CB -0.298 18.778 19.000 0.126 0.000 0.818 255 A HN 0.201 nan 8.150 nan 0.000 0.445 256 K N -0.694 119.721 120.400 0.025 0.000 2.097 256 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 256 K C 2.264 178.863 176.600 -0.001 0.000 1.049 256 K CA 1.262 57.554 56.287 0.010 0.000 0.933 256 K CB -0.202 32.310 32.500 0.020 0.000 0.717 256 K HN 0.395 nan 8.250 nan 0.000 0.442 257 R N 0.217 120.722 120.500 0.008 0.000 2.096 257 R HA -0.014 4.325 4.340 -0.000 0.000 0.235 257 R C 2.328 178.623 176.300 -0.008 0.000 1.127 257 R CA 1.023 57.127 56.100 0.007 0.000 0.968 257 R CB -0.141 30.170 30.300 0.020 0.000 0.861 257 R HN 0.181 nan 8.270 nan 0.000 0.440 258 M N 0.006 119.586 119.600 -0.033 0.000 2.159 258 M HA -0.025 4.455 4.480 -0.000 0.000 0.263 258 M C 1.117 177.387 176.300 -0.051 0.000 1.063 258 M CA 1.415 56.674 55.300 -0.069 0.000 1.110 258 M CB -0.987 31.491 32.600 -0.204 0.000 1.374 258 M HN 0.358 nan 8.290 nan 0.000 0.411 259 G N 1.109 109.881 108.800 -0.047 0.000 2.758 259 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 259 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 259 G C -0.861 174.017 174.900 -0.037 0.000 1.389 259 G CA -0.610 44.473 45.100 -0.028 0.000 0.845 259 G HN 0.349 nan 8.290 nan 0.000 0.572 260 D N 1.128 121.512 120.400 -0.027 0.000 2.443 260 D HA 0.240 4.880 4.640 -0.000 0.000 0.234 260 D C -0.376 175.859 176.300 -0.108 0.000 1.172 260 D CA 0.186 54.160 54.000 -0.043 0.000 0.878 260 D CB 0.734 41.540 40.800 0.009 0.000 1.204 260 D HN 0.339 nan 8.370 nan 0.000 0.453 261 P HA 0.062 nan 4.420 nan 0.000 0.257 261 P C 0.327 177.467 177.300 -0.267 0.000 1.281 261 P CA -0.277 62.594 63.100 -0.381 0.000 0.826 261 P CB 0.279 31.393 31.700 -0.977 0.000 1.237 262 L N 2.127 123.257 121.223 -0.154 0.000 2.499 262 L HA 0.110 4.450 4.340 -0.000 0.000 0.273 262 L C -0.029 176.809 176.870 -0.054 0.000 1.195 262 L CA 0.092 54.895 54.840 -0.060 0.000 0.882 262 L CB 0.485 42.487 42.059 -0.095 0.000 1.133 262 L HN -0.099 nan 8.230 nan 0.000 0.483 263 V N 4.279 124.180 119.914 -0.023 0.000 2.876 263 V HA 0.673 4.793 4.120 -0.000 0.000 0.312 263 V C -1.002 175.108 176.094 0.027 0.000 1.085 263 V CA -0.905 61.403 62.300 0.012 0.000 0.945 263 V CB 1.905 33.748 31.823 0.035 0.000 1.017 263 V HN 0.770 nan 8.190 nan 0.000 0.428 264 L N 2.503 123.758 121.223 0.052 0.000 2.493 264 L HA 0.824 5.164 4.340 -0.000 0.000 0.265 264 L C -1.091 175.813 176.870 0.057 0.000 0.954 264 L CA 0.100 54.976 54.840 0.060 0.000 0.844 264 L CB 2.518 44.667 42.059 0.150 0.000 1.302 264 L HN 1.061 nan 8.230 nan 0.000 0.405 265 T N 3.577 118.104 114.554 -0.045 0.000 2.952 265 T HA 0.487 4.837 4.350 -0.000 0.000 0.305 265 T C -0.932 173.707 174.700 -0.103 0.000 1.064 265 T CA -0.230 61.886 62.100 0.026 0.000 1.008 265 T CB 1.347 70.249 68.868 0.058 0.000 1.078 265 T HN 0.270 nan 8.240 nan 0.000 0.459 266 F N 1.944 121.996 119.950 0.170 0.000 2.366 266 F HA 0.481 5.007 4.527 -0.000 0.000 0.357 266 F C 1.273 177.202 175.800 0.215 0.000 1.107 266 F CA -0.885 57.263 58.000 0.246 0.000 1.208 266 F CB 0.978 40.148 39.000 0.282 0.000 1.464 266 F HN 0.830 nan 8.300 nan 0.000 0.501 267 G N 1.230 110.194 108.800 0.274 0.000 2.838 267 G HA2 0.010 3.970 3.960 -0.000 0.000 0.210 267 G HA3 0.010 3.970 3.960 -0.000 0.000 0.210 267 G C 0.357 175.364 174.900 0.178 0.000 1.153 267 G CA -0.044 45.179 45.100 0.205 0.000 0.778 267 G HN 0.326 nan 8.290 nan 0.000 0.539 268 K N 0.392 120.914 120.400 0.202 0.000 2.426 268 K HA 0.575 4.894 4.320 -0.000 0.000 0.254 268 K C -1.735 174.940 176.600 0.125 0.000 0.936 268 K CA -0.467 55.907 56.287 0.144 0.000 0.801 268 K CB 2.487 35.072 32.500 0.141 0.000 1.139 268 K HN -0.115 nan 8.250 nan 0.000 0.424 269 V N 3.442 123.371 119.914 0.025 0.000 2.623 269 V HA 0.348 4.467 4.120 -0.000 0.000 0.304 269 V C -1.080 174.978 176.094 -0.059 0.000 1.054 269 V CA -0.787 61.455 62.300 -0.097 0.000 0.882 269 V CB 1.833 33.468 31.823 -0.313 0.000 1.002 269 V HN 0.842 nan 8.190 nan 0.000 0.424 270 E N 5.135 125.311 120.200 -0.039 0.000 2.675 270 E HA 0.372 4.722 4.350 -0.000 0.000 0.236 270 E C -2.801 173.791 176.600 -0.015 0.000 1.059 270 E CA -1.562 54.827 56.400 -0.017 0.000 0.775 270 E CB 2.362 32.066 29.700 0.006 0.000 1.356 270 E HN 0.473 nan 8.360 nan 0.000 0.403 271 P HA 0.276 nan 4.420 nan 0.000 0.276 271 P C -0.755 176.547 177.300 0.003 0.000 1.252 271 P CA -0.664 62.431 63.100 -0.009 0.000 0.802 271 P CB 0.854 32.545 31.700 -0.016 0.000 1.035 272 R N 1.948 122.456 120.500 0.012 0.000 2.621 272 R HA 0.296 4.636 4.340 -0.000 0.000 0.284 272 R C -2.208 174.100 176.300 0.014 0.000 0.998 272 R CA -1.931 54.175 56.100 0.011 0.000 0.895 272 R CB 1.658 31.967 30.300 0.014 0.000 1.195 272 R HN 0.342 nan 8.270 nan 0.000 0.450 273 P HA -0.062 nan 4.420 nan 0.000 0.245 273 P C -0.373 176.925 177.300 -0.002 0.000 1.212 273 P CA 0.341 63.442 63.100 0.001 0.000 0.774 273 P CB 0.333 32.032 31.700 -0.003 0.000 0.999 274 N N 0.319 119.018 118.700 -0.002 0.000 2.771 274 N HA -0.076 4.664 4.740 -0.000 0.000 0.249 274 N C -0.862 174.643 175.510 -0.008 0.000 1.069 274 N CA 0.471 53.518 53.050 -0.004 0.000 0.688 274 N CB -0.915 37.569 38.487 -0.005 0.000 0.928 274 N HN 0.347 nan 8.380 nan 0.000 0.551 275 T N -3.849 110.699 114.554 -0.011 0.000 2.906 275 T HA 0.345 4.695 4.350 -0.000 0.000 0.295 275 T C 0.873 175.560 174.700 -0.021 0.000 1.061 275 T CA -0.327 61.762 62.100 -0.018 0.000 1.000 275 T CB 1.986 70.839 68.868 -0.026 0.000 1.103 275 T HN -0.065 nan 8.240 nan 0.000 0.486 276 V N 1.689 121.589 119.914 -0.023 0.000 2.392 276 V HA -0.102 4.017 4.120 -0.000 0.000 0.249 276 V C 1.498 177.571 176.094 -0.034 0.000 1.059 276 V CA 2.446 64.733 62.300 -0.023 0.000 1.051 276 V CB -0.869 30.942 31.823 -0.020 0.000 0.658 276 V HN 0.999 nan 8.190 nan 0.000 0.455 277 N N -0.347 118.320 118.700 -0.056 0.000 2.380 277 N HA 0.144 4.884 4.740 -0.000 0.000 0.255 277 N C -0.675 174.762 175.510 -0.121 0.000 1.158 277 N CA 0.014 53.010 53.050 -0.089 0.000 0.878 277 N CB 0.680 39.093 38.487 -0.122 0.000 1.138 277 N HN 0.313 nan 8.380 nan 0.000 0.509 278 V N 0.766 120.638 119.914 -0.071 0.000 2.524 278 V HA 0.226 4.346 4.120 -0.000 0.000 0.297 278 V C -0.054 176.032 176.094 -0.013 0.000 1.035 278 V CA -1.030 61.236 62.300 -0.056 0.000 0.867 278 V CB 2.140 33.932 31.823 -0.051 0.000 1.004 278 V HN -0.030 nan 8.190 nan 0.000 0.426 279 V N 8.357 128.275 119.914 0.006 0.000 2.475 279 V HA 0.089 4.209 4.120 -0.000 0.000 0.292 279 V C -1.646 174.469 176.094 0.034 0.000 1.003 279 V CA -0.711 61.607 62.300 0.029 0.000 1.120 279 V CB 0.526 32.377 31.823 0.046 0.000 0.937 279 V HN 0.719 nan 8.190 nan 0.000 0.476 280 P HA 0.095 nan 4.420 nan 0.000 0.270 280 P C 0.827 178.158 177.300 0.053 0.000 1.242 280 P CA 0.174 63.298 63.100 0.039 0.000 0.768 280 P CB 1.068 32.790 31.700 0.037 0.000 0.820 281 G N 3.241 112.069 108.800 0.046 0.000 2.985 281 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.209 281 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.209 281 G C 0.439 175.371 174.900 0.054 0.000 1.165 281 G CA 0.131 45.262 45.100 0.052 0.000 0.776 281 G HN 0.502 nan 8.290 nan 0.000 0.541 282 K N -0.292 120.140 120.400 0.053 0.000 2.557 282 K HA 0.473 4.793 4.320 -0.000 0.000 0.257 282 K C -1.828 174.808 176.600 0.060 0.000 0.933 282 K CA -0.480 55.841 56.287 0.057 0.000 0.820 282 K CB 1.794 34.319 32.500 0.042 0.000 1.330 282 K HN -0.033 nan 8.250 nan 0.000 0.432 283 T N 2.081 116.687 114.554 0.086 0.000 2.971 283 T HA 0.347 4.697 4.350 -0.000 0.000 0.304 283 T C -1.352 173.434 174.700 0.144 0.000 1.038 283 T CA -0.535 61.622 62.100 0.095 0.000 1.007 283 T CB 1.752 70.679 68.868 0.098 0.000 1.055 283 T HN 0.499 nan 8.240 nan 0.000 0.451 284 T N 4.180 118.795 114.554 0.103 0.000 2.779 284 T HA 0.772 5.122 4.350 -0.000 0.000 0.280 284 T C -0.704 174.086 174.700 0.151 0.000 0.987 284 T CA -0.669 61.480 62.100 0.081 0.000 0.966 284 T CB 0.283 69.168 68.868 0.029 0.000 0.933 284 T HN 0.542 nan 8.240 nan 0.000 0.442 285 F N -0.531 119.447 119.950 0.047 0.000 2.664 285 F HA 0.881 5.407 4.527 -0.000 0.000 0.317 285 F C -0.425 175.481 175.800 0.176 0.000 1.108 285 F CA -1.094 56.950 58.000 0.072 0.000 0.957 285 F CB 1.451 40.477 39.000 0.044 0.000 1.365 285 F HN 0.454 nan 8.300 nan 0.000 0.475 286 T N 1.306 116.100 114.554 0.400 0.000 2.942 286 T HA 0.803 5.152 4.350 -0.000 0.000 0.289 286 T C -1.214 173.655 174.700 0.281 0.000 1.044 286 T CA -0.690 61.575 62.100 0.275 0.000 1.023 286 T CB 1.171 70.196 68.868 0.261 0.000 1.123 286 T HN 0.617 nan 8.240 nan 0.000 0.512 287 I N 2.430 123.068 120.570 0.112 0.000 2.656 287 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 287 I C -1.276 174.816 176.117 -0.042 0.000 1.144 287 I CA -0.878 60.358 61.300 -0.107 0.000 1.038 287 I CB 2.303 40.191 38.000 -0.186 0.000 1.244 287 I HN 0.543 nan 8.210 nan 0.000 0.420 288 D N 5.488 125.824 120.400 -0.107 0.000 2.593 288 D HA 0.443 5.083 4.640 -0.000 0.000 0.251 288 D C -1.842 174.436 176.300 -0.038 0.000 1.140 288 D CA -0.099 53.867 54.000 -0.056 0.000 0.855 288 D CB 2.401 43.187 40.800 -0.024 0.000 1.267 288 D HN 0.591 nan 8.370 nan 0.000 0.532 289 C N 4.748 124.051 119.300 0.005 0.000 2.686 289 C HA 0.771 5.231 4.460 -0.000 0.000 0.318 289 C C -1.173 173.845 174.990 0.047 0.000 1.160 289 C CA -0.418 58.631 59.018 0.051 0.000 1.396 289 C CB 0.863 28.681 27.740 0.130 0.000 1.924 289 C HN 0.769 nan 8.230 nan 0.000 0.471 290 R N 3.790 124.322 120.500 0.053 0.000 2.707 290 R HA 0.679 5.019 4.340 -0.000 0.000 0.272 290 R C -1.342 175.007 176.300 0.081 0.000 1.011 290 R CA -0.758 55.374 56.100 0.054 0.000 0.893 290 R CB 1.962 32.283 30.300 0.035 0.000 1.233 290 R HN 0.857 nan 8.270 nan 0.000 0.464 291 H N -0.103 118.942 119.070 -0.041 0.000 2.987 291 H HA 0.090 4.646 4.556 -0.000 0.000 0.316 291 H C -0.336 174.948 175.328 -0.073 0.000 1.380 291 H CA 0.133 56.130 56.048 -0.085 0.000 1.160 291 H CB 2.352 32.061 29.762 -0.088 0.000 1.865 291 H HN 0.744 nan 8.280 nan 0.000 0.521 292 T N -1.744 112.651 114.554 -0.265 0.000 3.065 292 T HA 0.050 4.400 4.350 -0.000 0.000 0.252 292 T C 0.402 175.179 174.700 0.129 0.000 1.099 292 T CA 0.096 62.155 62.100 -0.069 0.000 1.063 292 T CB 0.261 69.005 68.868 -0.207 0.000 0.948 292 T HN 0.372 nan 8.240 nan 0.000 0.506 293 D N 0.704 121.366 120.400 0.436 0.000 2.349 293 D HA 0.536 5.176 4.640 -0.000 0.000 0.232 293 D C 1.225 177.571 176.300 0.077 0.000 1.071 293 D CA -0.174 53.938 54.000 0.185 0.000 0.832 293 D CB 1.930 42.809 40.800 0.131 0.000 1.086 293 D HN 0.136 nan 8.370 nan 0.000 0.504 294 A N 4.005 126.848 122.820 0.039 0.000 1.908 294 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 294 A C 2.067 179.643 177.584 -0.012 0.000 1.181 294 A CA 2.078 54.123 52.037 0.013 0.000 0.627 294 A CB -0.482 18.522 19.000 0.008 0.000 0.818 294 A HN 0.665 nan 8.150 nan 0.000 0.445 295 A N -0.769 122.037 122.820 -0.024 0.000 1.898 295 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 295 A C 2.232 179.781 177.584 -0.058 0.000 1.181 295 A CA 1.716 53.734 52.037 -0.032 0.000 0.620 295 A CB -0.887 18.097 19.000 -0.026 0.000 0.819 295 A HN 0.400 nan 8.150 nan 0.000 0.442 296 V N -0.215 119.618 119.914 -0.135 0.000 2.343 296 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 296 V C 2.489 178.488 176.094 -0.157 0.000 1.051 296 V CA 1.890 64.055 62.300 -0.225 0.000 1.036 296 V CB -0.790 30.694 31.823 -0.565 0.000 0.654 296 V HN 0.590 nan 8.190 nan 0.000 0.451 297 L N 0.228 121.367 121.223 -0.141 0.000 2.012 297 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 297 L C 2.546 179.453 176.870 0.062 0.000 1.073 297 L CA 2.077 56.916 54.840 -0.001 0.000 0.748 297 L CB -0.723 41.358 42.059 0.037 0.000 0.891 297 L HN 0.170 nan 8.230 nan 0.000 0.431 298 R N -0.699 119.818 120.500 0.028 0.000 2.066 298 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 298 R C 1.900 178.227 176.300 0.045 0.000 1.131 298 R CA 1.768 57.889 56.100 0.035 0.000 0.955 298 R CB -0.302 30.005 30.300 0.012 0.000 0.851 298 R HN 0.462 nan 8.270 nan 0.000 0.432 299 D N -0.241 120.181 120.400 0.037 0.000 2.144 299 D HA -0.167 4.472 4.640 -0.000 0.000 0.200 299 D C 1.585 177.925 176.300 0.068 0.000 0.978 299 D CA 0.883 54.906 54.000 0.037 0.000 0.833 299 D CB -0.252 40.562 40.800 0.024 0.000 0.961 299 D HN 0.177 nan 8.370 nan 0.000 0.470 300 F N 1.926 121.849 119.950 -0.045 0.000 2.113 300 F HA -0.186 4.340 4.527 -0.000 0.000 0.297 300 F C 2.528 178.321 175.800 -0.012 0.000 1.103 300 F CA 1.950 59.930 58.000 -0.034 0.000 1.248 300 F CB -0.553 38.419 39.000 -0.046 0.000 0.999 300 F HN -0.048 nan 8.300 nan 0.000 0.475 301 T N -2.024 112.564 114.554 0.057 0.000 2.915 301 T HA -0.168 4.181 4.350 -0.000 0.000 0.269 301 T C 1.731 176.392 174.700 -0.065 0.000 1.071 301 T CA 1.344 63.433 62.100 -0.019 0.000 1.132 301 T CB -0.536 68.442 68.868 0.182 0.000 0.878 301 T HN 0.462 nan 8.240 nan 0.000 0.479 302 Q N 0.648 120.431 119.800 -0.029 0.000 2.123 302 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 302 Q C 2.535 178.481 176.000 -0.090 0.000 0.966 302 Q CA 1.316 57.100 55.803 -0.031 0.000 0.845 302 Q CB -0.215 28.520 28.738 -0.005 0.000 0.907 302 Q HN 0.736 nan 8.270 nan 0.000 0.439 303 Q N 0.615 120.328 119.800 -0.145 0.000 2.084 303 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 303 Q C 1.895 177.759 176.000 -0.227 0.000 0.978 303 Q CA 0.906 56.603 55.803 -0.176 0.000 0.844 303 Q CB 0.064 28.677 28.738 -0.209 0.000 0.898 303 Q HN 0.245 nan 8.270 nan 0.000 0.426 304 L N 1.355 122.378 121.223 -0.333 0.000 2.046 304 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 304 L C 2.139 178.902 176.870 -0.177 0.000 1.077 304 L CA 1.864 56.527 54.840 -0.294 0.000 0.747 304 L CB -0.517 41.333 42.059 -0.349 0.000 0.896 304 L HN 0.280 nan 8.230 nan 0.000 0.432 305 E N -0.821 119.285 120.200 -0.158 0.000 2.085 305 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 305 E C 1.863 178.423 176.600 -0.067 0.000 0.994 305 E CA 1.256 57.596 56.400 -0.102 0.000 0.801 305 E CB -0.093 29.577 29.700 -0.051 0.000 0.743 305 E HN 0.501 nan 8.360 nan 0.000 0.453 306 N N 0.973 119.631 118.700 -0.071 0.000 2.188 306 N HA -0.124 4.615 4.740 -0.000 0.000 0.184 306 N C 1.274 176.750 175.510 -0.057 0.000 1.018 306 N CA 1.021 54.039 53.050 -0.053 0.000 0.858 306 N CB -0.259 38.197 38.487 -0.052 0.000 0.989 306 N HN 0.153 nan 8.380 nan 0.000 0.426 307 D N 0.862 121.215 120.400 -0.079 0.000 2.117 307 D HA -0.098 4.541 4.640 -0.000 0.000 0.197 307 D C 2.019 178.284 176.300 -0.058 0.000 0.987 307 D CA 0.865 54.819 54.000 -0.077 0.000 0.829 307 D CB -0.221 40.516 40.800 -0.104 0.000 0.961 307 D HN 0.296 nan 8.370 nan 0.000 0.460 308 M N 0.114 119.687 119.600 -0.045 0.000 2.117 308 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 308 M C 2.264 178.561 176.300 -0.004 0.000 1.065 308 M CA 1.261 56.556 55.300 -0.009 0.000 1.114 308 M CB -0.234 32.385 32.600 0.032 0.000 1.361 308 M HN -0.047 nan 8.290 nan 0.000 0.408 309 R N 0.263 120.756 120.500 -0.011 0.000 2.081 309 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 309 R C 2.413 178.706 176.300 -0.012 0.000 1.131 309 R CA 1.415 57.512 56.100 -0.005 0.000 0.960 309 R CB -0.534 29.762 30.300 -0.007 0.000 0.856 309 R HN 0.382 nan 8.270 nan 0.000 0.436 310 A N 1.582 124.388 122.820 -0.023 0.000 1.851 310 A HA -0.174 4.145 4.320 -0.000 0.000 0.216 310 A C 2.179 179.746 177.584 -0.029 0.000 1.195 310 A CA 1.323 53.345 52.037 -0.026 0.000 0.622 310 A CB -0.605 18.375 19.000 -0.034 0.000 0.831 310 A HN 0.173 nan 8.150 nan 0.000 0.444 311 I N -0.526 120.019 120.570 -0.041 0.000 2.151 311 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 311 I C 2.570 178.663 176.117 -0.041 0.000 1.080 311 I CA 1.486 62.752 61.300 -0.058 0.000 1.339 311 I CB -0.436 37.512 38.000 -0.087 0.000 1.039 311 I HN 0.415 nan 8.210 nan 0.000 0.409 312 C N 0.203 119.492 119.300 -0.018 0.000 2.446 312 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 312 C C 2.568 177.560 174.990 0.003 0.000 1.275 312 C CA 1.127 60.146 59.018 0.001 0.000 1.727 312 C CB -0.994 26.761 27.740 0.024 0.000 2.010 312 C HN 0.570 nan 8.230 nan 0.000 0.486 313 D N 0.737 121.137 120.400 -0.001 0.000 2.117 313 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 313 D C 2.200 178.499 176.300 -0.001 0.000 0.987 313 D CA 1.422 55.423 54.000 0.000 0.000 0.829 313 D CB -0.364 40.435 40.800 -0.002 0.000 0.961 313 D HN 0.590 nan 8.370 nan 0.000 0.460 314 E N -0.843 119.352 120.200 -0.007 0.000 2.204 314 E HA -0.153 4.196 4.350 -0.000 0.000 0.195 314 E C 1.644 178.245 176.600 0.002 0.000 0.990 314 E CA 0.716 57.113 56.400 -0.006 0.000 0.821 314 E CB -0.018 29.674 29.700 -0.013 0.000 0.750 314 E HN 0.408 nan 8.360 nan 0.000 0.477 315 M N -0.066 119.535 119.600 0.002 0.000 2.428 315 M HA 0.046 4.526 4.480 -0.000 0.000 0.239 315 M C -0.032 176.282 176.300 0.024 0.000 1.121 315 M CA 0.233 55.543 55.300 0.018 0.000 1.019 315 M CB 0.513 33.118 32.600 0.009 0.000 1.485 315 M HN -0.093 nan 8.290 nan 0.000 0.484 316 D N 1.763 122.173 120.400 0.016 0.000 2.716 316 D HA -0.159 4.481 4.640 -0.000 0.000 0.239 316 D C -1.008 175.308 176.300 0.027 0.000 1.125 316 D CA 0.550 54.561 54.000 0.018 0.000 0.681 316 D CB -0.851 39.958 40.800 0.016 0.000 1.070 316 D HN 0.373 nan 8.370 nan 0.000 0.432 317 I N 0.107 120.694 120.570 0.029 0.000 2.433 317 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 317 I C 1.424 177.564 176.117 0.038 0.000 1.001 317 I CA -0.747 60.577 61.300 0.039 0.000 1.119 317 I CB 2.005 40.033 38.000 0.048 0.000 1.289 317 I HN 0.169 nan 8.210 nan 0.000 0.438 318 G N 6.472 115.296 108.800 0.040 0.000 2.403 318 G HA2 0.512 4.472 3.960 -0.000 0.000 0.259 318 G HA3 0.512 4.472 3.960 -0.000 0.000 0.259 318 G C -0.832 174.095 174.900 0.045 0.000 1.244 318 G CA -0.178 44.944 45.100 0.037 0.000 0.849 318 G HN 0.590 nan 8.290 nan 0.000 0.532 319 I N 1.075 121.669 120.570 0.039 0.000 2.647 319 I HA 0.485 4.654 4.170 -0.000 0.000 0.295 319 I C -1.833 174.302 176.117 0.031 0.000 1.078 319 I CA -1.046 60.280 61.300 0.043 0.000 1.048 319 I CB 2.617 40.648 38.000 0.050 0.000 1.239 319 I HN 0.490 nan 8.210 nan 0.000 0.421 320 D N 7.682 128.097 120.400 0.024 0.000 2.629 320 D HA 0.465 5.105 4.640 -0.000 0.000 0.250 320 D C -1.362 174.948 176.300 0.015 0.000 1.126 320 D CA -0.211 53.801 54.000 0.021 0.000 0.852 320 D CB 1.531 42.342 40.800 0.018 0.000 1.335 320 D HN 0.409 nan 8.370 nan 0.000 0.518 321 I N 2.955 123.548 120.570 0.039 0.000 2.354 321 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 321 I C -0.650 175.543 176.117 0.126 0.000 1.007 321 I CA -0.784 60.560 61.300 0.073 0.000 1.167 321 I CB 1.615 39.661 38.000 0.078 0.000 1.320 321 I HN 0.322 nan 8.210 nan 0.000 0.458 322 D N 7.589 128.086 120.400 0.161 0.000 2.460 322 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 322 D C -0.835 175.575 176.300 0.184 0.000 1.079 322 D CA -0.408 53.693 54.000 0.168 0.000 0.864 322 D CB 1.178 42.072 40.800 0.157 0.000 1.048 322 D HN 0.251 nan 8.370 nan 0.000 0.523 323 L N 6.583 127.816 121.223 0.016 0.000 2.312 323 L HA 0.249 4.589 4.340 -0.000 0.000 0.287 323 L C 0.399 177.178 176.870 -0.152 0.000 1.091 323 L CA -0.405 54.225 54.840 -0.349 0.000 0.846 323 L CB -0.101 41.695 42.059 -0.440 0.000 1.219 323 L HN 0.679 nan 8.230 nan 0.000 0.439 324 W N 4.402 125.588 121.300 -0.190 0.000 3.177 324 W HA 0.211 4.871 4.660 0.000 0.000 0.309 324 W C -0.185 176.270 176.519 -0.108 0.000 1.224 324 W CA -0.529 56.748 57.345 -0.114 0.000 1.718 324 W CB 0.095 29.514 29.460 -0.068 0.000 1.078 324 W HN 0.448 nan 8.180 nan 0.000 0.618 325 M N 2.677 122.026 119.600 -0.419 0.000 2.267 325 M HA 0.295 4.775 4.480 -0.000 0.000 0.289 325 M C -2.230 173.881 176.300 -0.315 0.000 1.043 325 M CA -0.166 54.950 55.300 -0.307 0.000 0.928 325 M CB 2.329 34.660 32.600 -0.447 0.000 1.613 325 M HN -0.185 nan 8.290 nan 0.000 0.450 326 D N 3.781 124.077 120.400 -0.174 0.000 2.337 326 D HA 0.280 4.920 4.640 -0.000 0.000 0.238 326 D C -1.594 174.658 176.300 -0.079 0.000 1.331 326 D CA -0.027 53.885 54.000 -0.147 0.000 0.967 326 D CB 1.073 41.786 40.800 -0.145 0.000 1.382 326 D HN 0.524 nan 8.370 nan 0.000 0.549 327 E N 1.629 121.791 120.200 -0.063 0.000 2.212 327 E HA 0.316 4.666 4.350 -0.000 0.000 0.268 327 E C 0.058 176.645 176.600 -0.021 0.000 0.902 327 E CA -0.691 55.689 56.400 -0.032 0.000 0.779 327 E CB 1.818 31.510 29.700 -0.014 0.000 1.172 327 E HN 0.389 nan 8.360 nan 0.000 0.409 328 E N 2.610 122.800 120.200 -0.016 0.000 2.373 328 E HA 0.255 4.605 4.350 -0.000 0.000 0.263 328 E C -1.930 174.671 176.600 0.002 0.000 1.073 328 E CA -1.534 54.861 56.400 -0.008 0.000 0.894 328 E CB 0.352 30.044 29.700 -0.013 0.000 1.008 328 E HN 0.250 nan 8.360 nan 0.000 0.420 329 P HA 0.224 nan 4.420 nan 0.000 0.278 329 P C -0.658 176.649 177.300 0.012 0.000 1.258 329 P CA -0.443 62.670 63.100 0.021 0.000 0.811 329 P CB 0.930 32.650 31.700 0.034 0.000 1.063 330 V N 2.021 121.945 119.914 0.017 0.000 2.577 330 V HA 0.371 4.491 4.120 -0.000 0.000 0.303 330 V C -2.256 173.849 176.094 0.019 0.000 1.042 330 V CA -1.767 60.539 62.300 0.011 0.000 0.872 330 V CB 2.034 33.861 31.823 0.008 0.000 0.998 330 V HN 0.594 nan 8.190 nan 0.000 0.423 331 P HA 0.460 nan 4.420 nan 0.000 0.284 331 P C -1.006 176.302 177.300 0.012 0.000 1.258 331 P CA -0.645 62.462 63.100 0.012 0.000 0.824 331 P CB 1.273 32.977 31.700 0.008 0.000 1.038 332 M N 1.418 121.022 119.600 0.006 0.000 2.288 332 M HA 0.169 4.649 4.480 -0.000 0.000 0.334 332 M C 0.942 177.244 176.300 0.003 0.000 1.150 332 M CA -0.478 54.825 55.300 0.004 0.000 1.118 332 M CB -0.292 32.296 32.600 -0.019 0.000 1.501 332 M HN 0.404 nan 8.290 nan 0.000 0.462 333 N N 2.345 121.051 118.700 0.010 0.000 2.365 333 N HA -0.065 4.675 4.740 -0.000 0.000 0.265 333 N C 0.564 176.073 175.510 -0.001 0.000 1.288 333 N CA 0.517 53.572 53.050 0.008 0.000 0.869 333 N CB 0.747 39.244 38.487 0.017 0.000 1.071 333 N HN 0.520 nan 8.380 nan 0.000 0.480 334 K N 3.150 123.549 120.400 -0.000 0.000 2.074 334 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 334 K C 1.204 177.801 176.600 -0.005 0.000 1.048 334 K CA 1.649 57.934 56.287 -0.003 0.000 0.926 334 K CB 0.114 32.613 32.500 -0.000 0.000 0.713 334 K HN 0.550 nan 8.250 nan 0.000 0.444 335 E N 0.986 121.184 120.200 -0.004 0.000 2.047 335 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 335 E C 1.972 178.566 176.600 -0.010 0.000 0.987 335 E CA 0.909 57.306 56.400 -0.006 0.000 0.799 335 E CB -0.209 29.488 29.700 -0.005 0.000 0.752 335 E HN 0.185 nan 8.360 nan 0.000 0.449 336 L N -0.042 121.175 121.223 -0.010 0.000 2.046 336 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 336 L C 2.301 179.153 176.870 -0.030 0.000 1.077 336 L CA 0.778 55.608 54.840 -0.017 0.000 0.747 336 L CB -0.500 41.551 42.059 -0.013 0.000 0.896 336 L HN 0.075 nan 8.230 nan 0.000 0.432 337 V N 0.118 120.015 119.914 -0.029 0.000 2.332 337 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 337 V C 2.746 178.817 176.094 -0.038 0.000 1.055 337 V CA 1.861 64.138 62.300 -0.037 0.000 1.038 337 V CB -0.782 31.025 31.823 -0.026 0.000 0.651 337 V HN 0.499 nan 8.190 nan 0.000 0.450 338 A N -0.527 122.278 122.820 -0.025 0.000 1.877 338 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 338 A C 2.406 179.970 177.584 -0.034 0.000 1.186 338 A CA 2.551 54.575 52.037 -0.023 0.000 0.620 338 A CB -1.062 17.932 19.000 -0.011 0.000 0.822 338 A HN 0.490 nan 8.150 nan 0.000 0.443 339 T N 0.167 114.703 114.554 -0.030 0.000 2.684 339 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 339 T C 1.851 176.520 174.700 -0.052 0.000 1.036 339 T CA 1.673 63.755 62.100 -0.030 0.000 1.148 339 T CB -0.428 68.430 68.868 -0.017 0.000 0.863 339 T HN 0.353 nan 8.240 nan 0.000 0.436 340 L N 0.989 122.171 121.223 -0.069 0.000 2.046 340 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 340 L C 2.434 179.196 176.870 -0.179 0.000 1.077 340 L CA 1.861 56.638 54.840 -0.105 0.000 0.747 340 L CB -1.208 40.789 42.059 -0.103 0.000 0.896 340 L HN 0.174 nan 8.230 nan 0.000 0.432 341 T N -0.715 113.735 114.554 -0.174 0.000 2.708 341 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 341 T C 1.743 176.305 174.700 -0.229 0.000 1.037 341 T CA 1.633 63.577 62.100 -0.259 0.000 1.146 341 T CB -0.193 68.611 68.868 -0.106 0.000 0.865 341 T HN 0.518 nan 8.240 nan 0.000 0.435 342 E N 0.707 120.840 120.200 -0.111 0.000 2.077 342 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 342 E C 2.227 178.784 176.600 -0.072 0.000 0.989 342 E CA 0.749 57.111 56.400 -0.062 0.000 0.800 342 E CB -0.213 29.470 29.700 -0.029 0.000 0.746 342 E HN 0.478 nan 8.360 nan 0.000 0.452 343 L N 0.291 121.462 121.223 -0.086 0.000 2.083 343 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 343 L C 2.337 179.149 176.870 -0.097 0.000 1.083 343 L CA 1.429 56.229 54.840 -0.067 0.000 0.752 343 L CB -0.288 41.739 42.059 -0.053 0.000 0.899 343 L HN 0.314 nan 8.230 nan 0.000 0.433 344 C N 0.252 119.429 119.300 -0.205 0.000 2.429 344 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 344 C C 2.686 177.630 174.990 -0.077 0.000 1.262 344 C CA 0.559 59.431 59.018 -0.243 0.000 1.733 344 C CB -0.821 26.501 27.740 -0.696 0.000 2.010 344 C HN 0.574 nan 8.230 nan 0.000 0.483 345 E N 0.633 120.803 120.200 -0.050 0.000 2.031 345 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 345 E C 2.279 178.910 176.600 0.051 0.000 0.994 345 E CA 0.867 57.323 56.400 0.094 0.000 0.800 345 E CB -0.572 29.184 29.700 0.093 0.000 0.752 345 E HN 0.598 nan 8.360 nan 0.000 0.447 346 R N 0.879 121.389 120.500 0.017 0.000 2.154 346 R HA -0.160 4.180 4.340 -0.000 0.000 0.248 346 R C 1.157 177.466 176.300 0.016 0.000 1.155 346 R CA 1.225 57.334 56.100 0.014 0.000 0.979 346 R CB 0.146 30.448 30.300 0.005 0.000 0.869 346 R HN 0.047 nan 8.270 nan 0.000 0.452 347 E N 0.451 120.659 120.200 0.013 0.000 2.465 347 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 347 E C -0.174 176.446 176.600 0.032 0.000 1.028 347 E CA -0.065 56.344 56.400 0.015 0.000 0.899 347 E CB 0.684 30.386 29.700 0.003 0.000 1.032 347 E HN 0.172 nan 8.360 nan 0.000 0.468 348 K N 0.084 120.514 120.400 0.050 0.000 3.048 348 K HA -0.207 4.112 4.320 -0.000 0.000 0.274 348 K C 0.319 176.967 176.600 0.079 0.000 1.098 348 K CA 0.529 56.853 56.287 0.062 0.000 0.807 348 K CB -2.511 30.012 32.500 0.037 0.000 1.217 348 K HN 0.299 nan 8.250 nan 0.000 0.477 349 L N 0.979 122.265 121.223 0.105 0.000 2.461 349 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 349 L C 1.320 178.303 176.870 0.189 0.000 1.197 349 L CA 0.089 55.004 54.840 0.124 0.000 0.836 349 L CB 0.258 42.382 42.059 0.108 0.000 1.105 349 L HN 0.176 nan 8.230 nan 0.000 0.477 350 N N 2.285 121.058 118.700 0.122 0.000 2.663 350 N HA 0.132 4.872 4.740 -0.000 0.000 0.250 350 N C -0.982 174.593 175.510 0.108 0.000 1.129 350 N CA -0.407 52.687 53.050 0.072 0.000 0.995 350 N CB 0.230 38.735 38.487 0.030 0.000 1.324 350 N HN 0.454 nan 8.380 nan 0.000 0.512 351 Y N 0.904 121.209 120.300 0.008 0.000 2.675 351 Y HA 0.652 5.202 4.550 -0.000 0.000 0.328 351 Y C -0.824 175.084 175.900 0.012 0.000 1.092 351 Y CA -1.363 56.744 58.100 0.011 0.000 1.190 351 Y CB 1.070 39.535 38.460 0.009 0.000 1.350 351 Y HN 0.138 nan 8.280 nan 0.000 0.525 352 R N 1.098 121.647 120.500 0.083 0.000 2.604 352 R HA 0.602 4.942 4.340 -0.000 0.000 0.270 352 R C -2.445 173.965 176.300 0.183 0.000 1.052 352 R CA -0.786 55.309 56.100 -0.009 0.000 0.902 352 R CB 2.327 32.618 30.300 -0.014 0.000 1.233 352 R HN 0.748 nan 8.270 nan 0.000 0.455 353 V N 6.059 126.058 119.914 0.142 0.000 2.432 353 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 353 V C 0.450 176.596 176.094 0.087 0.000 1.043 353 V CA -0.067 62.314 62.300 0.135 0.000 0.925 353 V CB 1.123 33.021 31.823 0.125 0.000 0.985 353 V HN 0.793 nan 8.190 nan 0.000 0.466 354 M N 4.540 124.183 119.600 0.072 0.000 2.843 354 M HA 0.703 5.183 4.480 -0.000 0.000 0.273 354 M C -1.209 175.129 176.300 0.064 0.000 1.286 354 M CA -0.903 54.439 55.300 0.071 0.000 0.807 354 M CB 2.565 35.194 32.600 0.048 0.000 1.684 354 M HN 0.710 nan 8.290 nan 0.000 0.458 355 H N -0.446 118.649 119.070 0.042 0.000 2.651 355 H HA 0.632 5.188 4.556 -0.000 0.000 0.353 355 H C -1.576 173.824 175.328 0.121 0.000 1.178 355 H CA -0.711 55.352 56.048 0.026 0.000 1.224 355 H CB 1.653 31.411 29.762 -0.007 0.000 1.702 355 H HN 0.711 nan 8.280 nan 0.000 0.550 356 S N -0.153 115.630 115.700 0.139 0.000 2.457 356 S HA 0.366 4.836 4.470 -0.000 0.000 0.289 356 S C 0.952 175.698 174.600 0.242 0.000 1.163 356 S CA -0.139 58.215 58.200 0.258 0.000 1.078 356 S CB 0.232 63.630 63.200 0.329 0.000 0.987 356 S HN 0.839 nan 8.310 nan 0.000 0.482 357 G N 2.880 111.776 108.800 0.161 0.000 3.233 357 G HA2 0.539 4.498 3.960 -0.000 0.000 0.227 357 G HA3 0.539 4.498 3.960 -0.000 0.000 0.227 357 G C 0.178 175.127 174.900 0.081 0.000 1.175 357 G CA 0.279 45.465 45.100 0.142 0.000 0.781 357 G HN 0.990 nan 8.290 nan 0.000 0.542 358 A N -0.893 121.971 122.820 0.073 0.000 2.556 358 A HA 0.817 5.137 4.320 -0.000 0.000 0.294 358 A C 0.194 177.672 177.584 -0.176 0.000 1.091 358 A CA -0.108 51.891 52.037 -0.063 0.000 0.704 358 A CB 1.045 19.963 19.000 -0.137 0.000 1.300 358 A HN 0.558 nan 8.150 nan 0.000 0.406 359 G N 0.288 108.971 108.800 -0.195 0.000 2.476 359 G HA2 0.575 4.535 3.960 -0.000 0.000 0.269 359 G HA3 0.575 4.535 3.960 -0.000 0.000 0.269 359 G C -0.500 174.203 174.900 -0.328 0.000 1.195 359 G CA -0.083 44.963 45.100 -0.090 0.000 0.843 359 G HN 0.737 nan 8.290 nan 0.000 0.545 360 H N -0.257 118.996 119.070 0.306 0.000 2.990 360 H HA 0.178 4.733 4.556 -0.000 0.000 0.336 360 H C 0.101 175.697 175.328 0.447 0.000 1.306 360 H CA -0.694 55.562 56.048 0.346 0.000 1.118 360 H CB 1.916 31.795 29.762 0.196 0.000 1.856 360 H HN 0.462 nan 8.280 nan 0.000 0.538 361 D N 1.010 121.823 120.400 0.688 0.000 2.190 361 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 361 D C 1.782 178.375 176.300 0.489 0.000 0.992 361 D CA 1.358 55.706 54.000 0.581 0.000 0.854 361 D CB 0.002 41.176 40.800 0.624 0.000 0.936 361 D HN 0.592 nan 8.370 nan 0.000 0.462 362 A N 1.502 124.616 122.820 0.489 0.000 2.032 362 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 362 A C 2.166 179.925 177.584 0.293 0.000 1.165 362 A CA 1.857 54.157 52.037 0.439 0.000 0.645 362 A CB -0.707 18.465 19.000 0.286 0.000 0.807 362 A HN 0.455 nan 8.150 nan 0.000 0.453 363 Q N -0.700 119.207 119.800 0.178 0.000 2.297 363 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 363 Q C 1.537 177.503 176.000 -0.056 0.000 0.962 363 Q CA 1.242 57.071 55.803 0.044 0.000 0.879 363 Q CB -0.268 28.470 28.738 -0.001 0.000 0.947 363 Q HN 0.527 nan 8.270 nan 0.000 0.462 364 I N -0.115 120.404 120.570 -0.085 0.000 2.584 364 I HA -0.068 4.102 4.170 -0.000 0.000 0.255 364 I C 1.581 177.542 176.117 -0.260 0.000 1.145 364 I CA 0.812 61.987 61.300 -0.207 0.000 1.462 364 I CB -0.849 37.000 38.000 -0.252 0.000 1.102 364 I HN 0.130 nan 8.210 nan 0.000 0.433 365 F N 1.475 121.319 119.950 -0.176 0.000 2.270 365 F HA 0.071 4.598 4.527 -0.000 0.000 0.295 365 F C 2.663 178.334 175.800 -0.214 0.000 1.087 365 F CA 0.979 58.833 58.000 -0.243 0.000 1.365 365 F CB -0.924 38.072 39.000 -0.007 0.000 1.056 365 F HN -0.028 nan 8.300 nan 0.000 0.506 366 A N 1.237 124.127 122.820 0.116 0.000 1.884 366 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 366 A C -0.099 177.462 177.584 -0.038 0.000 1.197 366 A CA 2.144 54.214 52.037 0.055 0.000 0.637 366 A CB -2.269 16.765 19.000 0.056 0.000 0.827 366 A HN 0.272 nan 8.150 nan 0.000 0.450 367 P HA -0.063 nan 4.420 nan 0.000 0.230 367 P C 0.872 178.078 177.300 -0.157 0.000 1.158 367 P CA 0.983 64.012 63.100 -0.118 0.000 0.769 367 P CB 0.004 31.628 31.700 -0.126 0.000 0.807 368 R N -0.487 119.862 120.500 -0.252 0.000 2.221 368 R HA 0.199 4.539 4.340 -0.000 0.000 0.195 368 R C 0.825 177.057 176.300 -0.114 0.000 0.956 368 R CA 0.362 56.302 56.100 -0.267 0.000 1.064 368 R CB 0.450 30.386 30.300 -0.608 0.000 1.049 368 R HN 0.115 nan 8.270 nan 0.000 0.534 369 V N -1.910 117.977 119.914 -0.045 0.000 3.049 369 V HA 0.598 4.718 4.120 -0.000 0.000 0.309 369 V C -2.980 173.183 176.094 0.115 0.000 1.148 369 V CA -3.264 59.090 62.300 0.091 0.000 0.990 369 V CB 2.563 34.526 31.823 0.233 0.000 1.039 369 V HN -0.167 nan 8.190 nan 0.000 0.430 370 P HA 0.314 nan 4.420 nan 0.000 0.263 370 P C -0.303 177.077 177.300 0.133 0.000 1.195 370 P CA 0.739 63.892 63.100 0.088 0.000 0.762 370 P CB 0.327 32.064 31.700 0.061 0.000 0.799 371 T N 0.957 115.581 114.554 0.116 0.000 2.883 371 T HA 0.772 5.122 4.350 -0.000 0.000 0.301 371 T C -0.589 174.132 174.700 0.035 0.000 1.158 371 T CA -0.662 61.516 62.100 0.130 0.000 1.007 371 T CB 0.970 69.994 68.868 0.260 0.000 1.186 371 T HN 0.629 nan 8.240 nan 0.000 0.499 372 C N 1.032 120.308 119.300 -0.041 0.000 3.320 372 C HA 0.901 5.361 4.460 -0.000 0.000 0.335 372 C C -1.188 173.700 174.990 -0.170 0.000 1.430 372 C CA -1.087 57.878 59.018 -0.089 0.000 1.271 372 C CB 0.552 28.242 27.740 -0.084 0.000 1.609 372 C HN 1.137 nan 8.230 nan 0.000 0.457 373 M N 1.231 120.715 119.600 -0.193 0.000 2.593 373 M HA 0.653 5.133 4.480 -0.000 0.000 0.290 373 M C -1.362 174.788 176.300 -0.251 0.000 1.244 373 M CA -0.455 54.694 55.300 -0.252 0.000 0.857 373 M CB 2.293 34.691 32.600 -0.336 0.000 1.738 373 M HN 0.647 nan 8.290 nan 0.000 0.461 374 I N 1.653 122.114 120.570 -0.182 0.000 2.466 374 I HA 0.462 4.632 4.170 -0.000 0.000 0.289 374 I C -1.329 174.834 176.117 0.077 0.000 1.026 374 I CA -0.517 60.733 61.300 -0.084 0.000 1.078 374 I CB 1.612 39.590 38.000 -0.038 0.000 1.249 374 I HN 0.404 nan 8.210 nan 0.000 0.429 375 F N 6.138 126.084 119.950 -0.006 0.000 2.432 375 F HA 0.632 5.159 4.527 -0.000 0.000 0.329 375 F C 0.396 176.201 175.800 0.009 0.000 1.076 375 F CA -1.367 56.637 58.000 0.008 0.000 1.018 375 F CB 1.622 40.623 39.000 0.001 0.000 1.201 375 F HN 0.206 nan 8.300 nan 0.000 0.489 376 I N -0.048 120.623 120.570 0.168 0.000 3.002 376 I HA 0.665 4.835 4.170 -0.000 0.000 0.310 376 I C -2.942 173.152 176.117 -0.038 0.000 1.087 376 I CA -2.887 58.438 61.300 0.042 0.000 1.017 376 I CB 2.063 40.052 38.000 -0.018 0.000 1.226 376 I HN 0.218 nan 8.210 nan 0.000 0.443 377 P HA 0.190 nan 4.420 nan 0.000 0.272 377 P C -0.932 176.302 177.300 -0.109 0.000 1.230 377 P CA -0.220 62.833 63.100 -0.078 0.000 0.788 377 P CB 0.726 32.393 31.700 -0.054 0.000 0.949 378 S N 1.073 116.708 115.700 -0.109 0.000 2.707 378 S HA 0.432 4.902 4.470 -0.000 0.000 0.312 378 S C 0.143 174.698 174.600 -0.076 0.000 1.116 378 S CA -0.676 57.462 58.200 -0.102 0.000 1.078 378 S CB -0.213 62.919 63.200 -0.114 0.000 0.997 378 S HN 0.363 nan 8.310 nan 0.000 0.477 379 I N 1.688 122.218 120.570 -0.067 0.000 2.598 379 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 379 I C 0.327 176.419 176.117 -0.040 0.000 1.140 379 I CA -0.045 61.225 61.300 -0.050 0.000 1.420 379 I CB 0.052 38.025 38.000 -0.045 0.000 1.387 379 I HN 0.600 nan 8.210 nan 0.000 0.553 380 N N 4.285 122.965 118.700 -0.033 0.000 2.753 380 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 380 N C 1.042 176.535 175.510 -0.028 0.000 1.097 380 N CA 1.398 54.433 53.050 -0.025 0.000 0.786 380 N CB -1.483 36.993 38.487 -0.019 0.000 1.137 380 N HN 1.345 nan 8.380 nan 0.000 0.566 381 G N -0.463 108.312 108.800 -0.042 0.000 2.296 381 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.282 381 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.282 381 G C 0.206 175.080 174.900 -0.043 0.000 1.014 381 G CA 0.561 45.631 45.100 -0.050 0.000 0.812 381 G HN 0.488 nan 8.290 nan 0.000 0.508 382 I N 0.320 120.870 120.570 -0.035 0.000 2.474 382 I HA 0.634 4.803 4.170 -0.000 0.000 0.287 382 I C 0.648 176.752 176.117 -0.022 0.000 1.048 382 I CA -0.080 61.208 61.300 -0.020 0.000 1.383 382 I CB 1.153 39.147 38.000 -0.010 0.000 1.412 382 I HN 0.158 nan 8.210 nan 0.000 0.531 383 S N 3.994 119.688 115.700 -0.011 0.000 2.625 383 S HA 0.432 4.901 4.470 -0.000 0.000 0.271 383 S C -0.225 174.430 174.600 0.092 0.000 1.161 383 S CA -0.489 57.708 58.200 -0.004 0.000 0.820 383 S CB 0.705 63.847 63.200 -0.097 0.000 1.137 383 S HN 0.840 nan 8.310 nan 0.000 0.470 384 H N 0.374 119.473 119.070 0.048 0.000 2.741 384 H HA -0.159 4.397 4.556 -0.000 0.000 0.305 384 H C -0.154 175.192 175.328 0.029 0.000 1.169 384 H CA 1.035 57.110 56.048 0.046 0.000 1.144 384 H CB -0.988 28.801 29.762 0.046 0.000 1.397 384 H HN 0.426 nan 8.280 nan 0.000 0.409 385 N N -0.574 118.206 118.700 0.132 0.000 2.405 385 N HA 0.086 4.826 4.740 -0.000 0.000 0.274 385 N C -2.483 173.055 175.510 0.047 0.000 1.170 385 N CA -1.722 51.371 53.050 0.072 0.000 0.848 385 N CB 1.984 40.505 38.487 0.057 0.000 1.629 385 N HN -0.278 nan 8.380 nan 0.000 0.481 386 P HA -0.045 nan 4.420 nan 0.000 0.220 386 P C 0.342 177.648 177.300 0.010 0.000 1.144 386 P CA 1.066 64.177 63.100 0.017 0.000 0.800 386 P CB 0.186 31.892 31.700 0.011 0.000 0.772 387 A N -0.490 122.337 122.820 0.010 0.000 2.415 387 A HA 0.066 4.386 4.320 -0.000 0.000 0.248 387 A C 0.614 178.194 177.584 -0.006 0.000 1.299 387 A CA -0.298 51.740 52.037 0.001 0.000 0.899 387 A CB -1.040 17.961 19.000 0.001 0.000 0.997 387 A HN 0.274 nan 8.150 nan 0.000 0.506 388 E N 0.923 121.122 120.200 -0.002 0.000 2.360 388 E HA 0.479 4.829 4.350 -0.000 0.000 0.269 388 E C -0.455 176.123 176.600 -0.038 0.000 1.022 388 E CA -0.387 56.003 56.400 -0.017 0.000 0.887 388 E CB 0.797 30.493 29.700 -0.006 0.000 0.990 388 E HN 0.184 nan 8.360 nan 0.000 0.426 389 R N 2.101 122.568 120.500 -0.055 0.000 2.734 389 R HA 0.548 4.888 4.340 -0.000 0.000 0.271 389 R C -1.146 175.096 176.300 -0.096 0.000 1.021 389 R CA -0.908 55.148 56.100 -0.073 0.000 0.893 389 R CB 2.178 32.446 30.300 -0.054 0.000 1.244 389 R HN 0.735 nan 8.270 nan 0.000 0.464 390 T N 0.866 115.349 114.554 -0.119 0.000 3.041 390 T HA 0.298 4.648 4.350 -0.000 0.000 0.321 390 T C -0.648 173.982 174.700 -0.117 0.000 1.184 390 T CA -0.880 61.140 62.100 -0.133 0.000 1.050 390 T CB 1.696 70.442 68.868 -0.203 0.000 1.159 390 T HN 0.324 nan 8.240 nan 0.000 0.469 391 N N 1.851 120.499 118.700 -0.086 0.000 2.356 391 N HA 0.029 4.768 4.740 -0.000 0.000 0.252 391 N C 1.296 176.763 175.510 -0.073 0.000 1.241 391 N CA -0.009 53.002 53.050 -0.065 0.000 0.861 391 N CB 0.645 39.104 38.487 -0.046 0.000 1.075 391 N HN 0.658 nan 8.380 nan 0.000 0.461 392 I N 1.619 122.158 120.570 -0.052 0.000 2.454 392 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 392 I C 1.749 177.855 176.117 -0.018 0.000 1.156 392 I CA 1.172 62.449 61.300 -0.039 0.000 1.433 392 I CB -0.007 37.984 38.000 -0.015 0.000 1.082 392 I HN 0.608 nan 8.210 nan 0.000 0.432 393 T N -3.020 111.525 114.554 -0.015 0.000 3.023 393 T HA -0.062 4.287 4.350 -0.000 0.000 0.266 393 T C 1.496 176.194 174.700 -0.003 0.000 1.093 393 T CA 0.751 62.851 62.100 -0.000 0.000 1.129 393 T CB -0.284 68.583 68.868 -0.001 0.000 0.899 393 T HN 0.294 nan 8.240 nan 0.000 0.491 394 D N 1.294 121.678 120.400 -0.026 0.000 2.162 394 D HA 0.116 4.756 4.640 -0.000 0.000 0.203 394 D C 2.119 178.394 176.300 -0.041 0.000 0.967 394 D CA 0.526 54.507 54.000 -0.032 0.000 0.840 394 D CB -0.093 40.675 40.800 -0.052 0.000 0.972 394 D HN 0.350 nan 8.370 nan 0.000 0.482 395 L N 0.915 122.090 121.223 -0.081 0.000 2.017 395 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 395 L C 2.620 179.547 176.870 0.095 0.000 1.073 395 L CA 1.097 55.881 54.840 -0.094 0.000 0.745 395 L CB -0.429 41.499 42.059 -0.219 0.000 0.894 395 L HN -0.037 nan 8.230 nan 0.000 0.432 396 A N -0.015 122.850 122.820 0.075 0.000 1.908 396 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 396 A C 2.163 179.777 177.584 0.048 0.000 1.181 396 A CA 2.105 54.199 52.037 0.095 0.000 0.627 396 A CB -0.555 18.504 19.000 0.098 0.000 0.818 396 A HN 0.406 nan 8.150 nan 0.000 0.445 397 E N -0.137 120.082 120.200 0.033 0.000 2.118 397 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 397 E C 1.978 178.577 176.600 -0.002 0.000 0.992 397 E CA 1.573 57.983 56.400 0.018 0.000 0.804 397 E CB -0.741 28.970 29.700 0.018 0.000 0.741 397 E HN 0.446 nan 8.360 nan 0.000 0.458 398 G N -0.194 108.617 108.800 0.019 0.000 2.421 398 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 398 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 398 G C 1.708 176.576 174.900 -0.053 0.000 1.171 398 G CA 1.037 46.155 45.100 0.030 0.000 0.775 398 G HN 0.258 nan 8.290 nan 0.000 0.543 399 V N 1.034 120.868 119.914 -0.135 0.000 2.407 399 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 399 V C 2.645 178.398 176.094 -0.568 0.000 1.055 399 V CA 2.291 64.326 62.300 -0.440 0.000 1.049 399 V CB -0.444 30.921 31.823 -0.763 0.000 0.662 399 V HN 0.490 nan 8.190 nan 0.000 0.455 400 K N 0.023 120.189 120.400 -0.390 0.000 2.057 400 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 400 K C 2.159 178.703 176.600 -0.094 0.000 1.049 400 K CA 1.978 58.167 56.287 -0.163 0.000 0.931 400 K CB -0.321 32.189 32.500 0.017 0.000 0.714 400 K HN 0.476 nan 8.250 nan 0.000 0.440 401 T N 1.771 116.279 114.554 -0.077 0.000 2.788 401 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 401 T C 1.617 176.287 174.700 -0.050 0.000 1.044 401 T CA 1.181 63.253 62.100 -0.048 0.000 1.139 401 T CB -0.171 68.675 68.868 -0.037 0.000 0.867 401 T HN 0.176 nan 8.240 nan 0.000 0.454 402 L N 1.398 122.573 121.223 -0.080 0.000 2.093 402 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 402 L C 2.503 179.358 176.870 -0.025 0.000 1.085 402 L CA 1.632 56.432 54.840 -0.067 0.000 0.755 402 L CB -0.938 41.061 42.059 -0.101 0.000 0.904 402 L HN 0.205 nan 8.230 nan 0.000 0.435 403 A N -0.669 122.130 122.820 -0.035 0.000 1.929 403 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 403 A C 2.202 179.873 177.584 0.145 0.000 1.176 403 A CA 1.657 53.748 52.037 0.089 0.000 0.628 403 A CB -0.732 18.365 19.000 0.161 0.000 0.816 403 A HN 0.490 nan 8.150 nan 0.000 0.444 404 L N -1.688 119.592 121.223 0.095 0.000 2.141 404 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 404 L C 2.687 179.630 176.870 0.121 0.000 1.094 404 L CA 1.476 56.379 54.840 0.104 0.000 0.763 404 L CB -0.437 41.648 42.059 0.043 0.000 0.908 404 L HN 0.454 nan 8.230 nan 0.000 0.437 405 M N 0.132 119.774 119.600 0.070 0.000 2.132 405 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 405 M C 2.074 178.432 176.300 0.096 0.000 1.065 405 M CA 1.830 57.164 55.300 0.057 0.000 1.122 405 M CB -0.298 32.306 32.600 0.007 0.000 1.365 405 M HN 0.063 nan 8.290 nan 0.000 0.411 406 L N -1.503 119.793 121.223 0.121 0.000 2.083 406 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 406 L C 2.434 179.458 176.870 0.257 0.000 1.083 406 L CA 1.335 56.284 54.840 0.183 0.000 0.752 406 L CB -1.069 41.116 42.059 0.210 0.000 0.899 406 L HN 0.367 nan 8.230 nan 0.000 0.433 407 Y N 0.828 121.172 120.300 0.073 0.000 2.165 407 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 407 Y C 2.806 178.771 175.900 0.107 0.000 1.155 407 Y CA 1.580 59.682 58.100 0.003 0.000 1.164 407 Y CB -0.070 38.263 38.460 -0.212 0.000 0.978 407 Y HN 0.143 nan 8.280 nan 0.000 0.513 408 Q N 0.221 120.088 119.800 0.112 0.000 2.084 408 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 408 Q C 2.371 178.366 176.000 -0.009 0.000 0.978 408 Q CA 1.815 57.636 55.803 0.031 0.000 0.844 408 Q CB -0.410 28.375 28.738 0.078 0.000 0.898 408 Q HN 0.575 nan 8.270 nan 0.000 0.426 409 L N -0.996 120.251 121.223 0.040 0.000 2.179 409 L HA -0.001 4.338 4.340 -0.000 0.000 0.208 409 L C 1.992 178.875 176.870 0.022 0.000 1.096 409 L CA 1.006 55.864 54.840 0.030 0.000 0.779 409 L CB -0.223 41.865 42.059 0.049 0.000 0.922 409 L HN 0.061 nan 8.230 nan 0.000 0.443 410 A N -2.384 120.481 122.820 0.074 0.000 2.211 410 A HA 0.029 4.348 4.320 -0.000 0.000 0.208 410 A C 1.694 179.197 177.584 -0.135 0.000 1.250 410 A CA -0.368 51.660 52.037 -0.014 0.000 0.935 410 A CB -0.089 18.896 19.000 -0.024 0.000 0.982 410 A HN 0.434 nan 8.150 nan 0.000 0.490 411 W N -0.271 120.840 121.300 -0.316 0.000 3.220 411 W HA 0.302 4.962 4.660 -0.000 0.000 0.328 411 W C 0.397 176.639 176.519 -0.461 0.000 1.205 411 W CA 0.076 57.160 57.345 -0.436 0.000 1.773 411 W CB 0.570 29.576 29.460 -0.757 0.000 1.086 411 W HN 0.304 nan 8.180 nan 0.000 0.622 412 Q N 1.613 121.302 119.800 -0.186 0.000 2.365 412 Q HA 0.226 4.566 4.340 -0.000 0.000 0.269 412 Q C -0.033 175.937 176.000 -0.050 0.000 1.061 412 Q CA -0.314 55.410 55.803 -0.131 0.000 0.816 412 Q CB 1.683 30.334 28.738 -0.144 0.000 1.325 412 Q HN 0.016 nan 8.270 nan 0.000 0.446 413 K N 0.000 120.394 120.400 -0.009 0.000 2.780 413 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 413 K CA 0.000 56.297 56.287 0.017 0.000 0.838 413 K CB 0.000 32.548 32.500 0.080 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543