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 1bib_1_A DATA FIRST_RESID 2 DATA SEQUENCE KDNTVPLKLI ALLANGEFHS GEQLGETLGM SRAAINKHIQ TLRDWGVDVF DATA SEQUENCE TVPGKGYSLP EPIQLLNAKQ ILGQLDGGSV AVLPVIDSTN QYLLDRIGEL DATA SEQUENCE KSGDACIAEY QQAGRGRXXX XXXSPFGANL YLSMFWRLEQ XPAAAIGLSL DATA SEQUENCE VIGIVMAEVL RKLGADKVRV KWPNDLYLQD RKLAGILVEL TGXXXXAAQI DATA SEQUENCE VIGAGINMAM XXXXXXXXXX XWITLQEAGI NLDRNTLAAM LIRELRAALE DATA SEQUENCE LFEQEGLAPY LSRWEKLDNF INRPVKLIIG DKEIFGISRG IDKQGALLLE DATA SEQUENCE QDGIIKPWMG GEISLR 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.645 176.600 0.074 0.000 0.988 2 K CA 0.000 56.329 56.287 0.069 0.000 0.838 2 K CB 0.000 32.551 32.500 0.085 0.000 1.064 3 D N 1.091 121.531 120.400 0.066 0.000 2.365 3 D HA 0.276 4.916 4.640 0.000 0.000 0.237 3 D C -0.008 176.338 176.300 0.076 0.000 1.190 3 D CA 0.019 54.056 54.000 0.060 0.000 0.867 3 D CB 0.719 41.543 40.800 0.040 0.000 1.050 3 D HN 0.572 nan 8.370 nan 0.000 0.491 4 N N 1.416 120.175 118.700 0.098 0.000 2.203 4 N HA 0.013 4.753 4.740 0.000 0.000 0.207 4 N C 1.209 176.778 175.510 0.098 0.000 1.130 4 N CA -0.092 53.048 53.050 0.150 0.000 0.861 4 N CB 0.665 39.297 38.487 0.242 0.000 1.005 4 N HN 0.282 nan 8.380 nan 0.000 0.507 5 T N -0.071 114.506 114.554 0.038 0.000 2.565 5 T HA -0.213 4.137 4.350 0.000 0.000 0.265 5 T C 2.038 176.700 174.700 -0.064 0.000 1.082 5 T CA 1.531 63.631 62.100 -0.000 0.000 1.173 5 T CB -0.538 68.325 68.868 -0.008 0.000 0.864 5 T HN -0.045 nan 8.240 nan 0.000 0.425 6 V N 3.200 123.018 119.914 -0.159 0.000 2.222 6 V HA -0.211 3.909 4.120 0.000 0.000 0.252 6 V C -0.175 175.738 176.094 -0.301 0.000 1.060 6 V CA 2.445 64.553 62.300 -0.319 0.000 1.027 6 V CB -1.927 29.526 31.823 -0.616 0.000 0.644 6 V HN 0.431 nan 8.190 nan 0.000 0.448 7 P HA -0.175 nan 4.420 nan 0.000 0.216 7 P C 1.884 179.116 177.300 -0.113 0.000 1.150 7 P CA 1.669 64.615 63.100 -0.256 0.000 0.843 7 P CB -0.136 31.311 31.700 -0.421 0.000 0.787 8 L N -0.515 120.714 121.223 0.011 0.000 1.994 8 L HA -0.171 4.169 4.340 0.000 0.000 0.208 8 L C 2.704 179.556 176.870 -0.030 0.000 1.071 8 L CA 1.763 56.626 54.840 0.039 0.000 0.745 8 L CB -0.981 41.133 42.059 0.091 0.000 0.892 8 L HN -0.076 nan 8.230 nan 0.000 0.431 9 K N -0.230 120.137 120.400 -0.054 0.000 2.044 9 K HA -0.245 4.075 4.320 0.000 0.000 0.210 9 K C 2.059 178.601 176.600 -0.097 0.000 1.049 9 K CA 1.395 57.642 56.287 -0.066 0.000 0.927 9 K CB -0.537 31.917 32.500 -0.076 0.000 0.713 9 K HN 0.077 nan 8.250 nan 0.000 0.443 10 L N 1.753 122.895 121.223 -0.135 0.000 1.944 10 L HA -0.213 4.127 4.340 0.000 0.000 0.218 10 L C 2.324 179.091 176.870 -0.172 0.000 1.075 10 L CA 1.441 56.182 54.840 -0.165 0.000 0.767 10 L CB -0.824 41.116 42.059 -0.199 0.000 0.890 10 L HN 0.137 nan 8.230 nan 0.000 0.434 11 I N -0.544 119.927 120.570 -0.165 0.000 2.185 11 I HA -0.357 3.813 4.170 0.000 0.000 0.246 11 I C 2.411 178.462 176.117 -0.109 0.000 1.088 11 I CA 1.771 62.975 61.300 -0.160 0.000 1.347 11 I CB -0.481 37.403 38.000 -0.194 0.000 1.041 11 I HN 0.373 nan 8.210 nan 0.000 0.415 12 A N 0.662 123.437 122.820 -0.075 0.000 1.873 12 A HA -0.234 4.086 4.320 0.000 0.000 0.218 12 A C 2.222 179.754 177.584 -0.087 0.000 1.193 12 A CA 2.391 54.399 52.037 -0.049 0.000 0.629 12 A CB -1.236 17.745 19.000 -0.030 0.000 0.826 12 A HN 0.574 nan 8.150 nan 0.000 0.447 13 L N -0.724 120.413 121.223 -0.143 0.000 1.994 13 L HA -0.160 4.180 4.340 0.000 0.000 0.208 13 L C 2.396 179.051 176.870 -0.359 0.000 1.071 13 L CA 1.060 55.767 54.840 -0.222 0.000 0.745 13 L CB -0.929 40.965 42.059 -0.273 0.000 0.892 13 L HN 0.281 nan 8.230 nan 0.000 0.431 14 L N 0.404 121.390 121.223 -0.395 0.000 2.351 14 L HA -0.233 4.107 4.340 0.000 0.000 0.220 14 L C 2.972 179.779 176.870 -0.106 0.000 1.127 14 L CA 0.914 55.557 54.840 -0.327 0.000 0.786 14 L CB -1.042 40.883 42.059 -0.224 0.000 0.914 14 L HN 0.357 nan 8.230 nan 0.000 0.443 15 A N 2.233 125.008 122.820 -0.074 0.000 1.909 15 A HA -0.303 4.017 4.320 0.000 0.000 0.221 15 A C 1.624 179.222 177.584 0.022 0.000 1.223 15 A CA 2.468 54.499 52.037 -0.011 0.000 0.658 15 A CB -1.195 17.804 19.000 -0.001 0.000 0.831 15 A HN 0.730 nan 8.150 nan 0.000 0.462 16 N N 0.104 118.835 118.700 0.053 0.000 2.668 16 N HA 0.248 4.988 4.740 0.000 0.000 0.201 16 N C 0.878 176.429 175.510 0.068 0.000 1.408 16 N CA 1.139 54.231 53.050 0.071 0.000 0.905 16 N CB -1.276 37.272 38.487 0.102 0.000 1.093 16 N HN 0.919 nan 8.380 nan 0.000 0.453 17 G N -2.352 106.474 108.800 0.044 0.000 2.402 17 G HA2 -0.294 3.666 3.960 0.000 0.000 0.300 17 G HA3 -0.294 3.666 3.960 0.000 0.000 0.300 17 G C 0.255 175.156 174.900 0.002 0.000 0.987 17 G CA 0.974 46.079 45.100 0.009 0.000 0.881 17 G HN 0.977 nan 8.290 nan 0.000 0.512 18 E N -1.175 119.062 120.200 0.062 0.000 2.601 18 E HA 0.826 5.176 4.350 0.000 0.000 0.250 18 E C -0.226 176.359 176.600 -0.025 0.000 1.099 18 E CA -1.006 55.406 56.400 0.021 0.000 0.968 18 E CB 0.724 30.418 29.700 -0.010 0.000 1.290 18 E HN 0.420 nan 8.360 nan 0.000 0.505 19 F N 0.308 120.220 119.950 -0.063 0.000 2.385 19 F HA 0.553 5.080 4.527 0.000 0.000 0.336 19 F C -0.148 175.541 175.800 -0.185 0.000 1.100 19 F CA 0.246 58.233 58.000 -0.022 0.000 1.116 19 F CB 1.550 40.529 39.000 -0.035 0.000 1.166 19 F HN 0.485 nan 8.300 nan 0.000 0.511 20 H N -0.031 119.241 119.070 0.335 0.000 2.934 20 H HA 0.333 4.889 4.556 0.000 0.000 0.340 20 H C -0.750 174.761 175.328 0.304 0.000 1.008 20 H CA -0.982 55.218 56.048 0.254 0.000 1.317 20 H CB 1.473 31.342 29.762 0.179 0.000 1.670 20 H HN 0.449 nan 8.280 nan 0.000 0.516 21 S N 1.164 117.030 115.700 0.276 0.000 2.562 21 S HA 0.286 4.756 4.470 0.000 0.000 0.275 21 S C 1.620 176.349 174.600 0.216 0.000 1.281 21 S CA -0.243 58.042 58.200 0.142 0.000 1.045 21 S CB 1.624 64.854 63.200 0.050 0.000 0.962 21 S HN 0.856 nan 8.310 nan 0.000 0.503 22 G N 2.194 111.123 108.800 0.214 0.000 2.469 22 G HA2 -0.282 3.679 3.960 0.000 0.000 0.219 22 G HA3 -0.282 3.679 3.960 0.000 0.000 0.219 22 G C 1.193 176.172 174.900 0.132 0.000 1.150 22 G CA 1.125 46.370 45.100 0.241 0.000 0.763 22 G HN 0.961 nan 8.290 nan 0.000 0.561 23 E N 0.053 120.304 120.200 0.084 0.000 2.049 23 E HA -0.146 4.204 4.350 0.000 0.000 0.198 23 E C 2.626 179.269 176.600 0.072 0.000 1.007 23 E CA 2.017 58.452 56.400 0.059 0.000 0.809 23 E CB -1.005 28.714 29.700 0.032 0.000 0.749 23 E HN 0.478 nan 8.360 nan 0.000 0.450 24 Q N 1.884 121.738 119.800 0.089 0.000 1.967 24 Q HA -0.194 4.146 4.340 0.000 0.000 0.210 24 Q C 2.374 178.441 176.000 0.112 0.000 1.005 24 Q CA 2.325 58.191 55.803 0.105 0.000 0.862 24 Q CB -1.493 27.331 28.738 0.144 0.000 0.939 24 Q HN 0.444 nan 8.270 nan 0.000 0.417 25 L N -0.024 121.285 121.223 0.142 0.000 1.963 25 L HA -0.160 4.180 4.340 0.000 0.000 0.220 25 L C 2.902 179.813 176.870 0.068 0.000 1.076 25 L CA 1.579 56.481 54.840 0.105 0.000 0.772 25 L CB -1.118 41.008 42.059 0.111 0.000 0.892 25 L HN 0.643 nan 8.230 nan 0.000 0.435 26 G N -0.724 108.120 108.800 0.073 0.000 2.545 26 G HA2 -0.392 3.568 3.960 0.000 0.000 0.222 26 G HA3 -0.392 3.568 3.960 0.000 0.000 0.222 26 G C 1.510 176.435 174.900 0.042 0.000 1.126 26 G CA 1.794 46.927 45.100 0.055 0.000 0.754 26 G HN 0.540 nan 8.290 nan 0.000 0.583 27 E N 0.546 120.772 120.200 0.044 0.000 2.007 27 E HA -0.262 4.088 4.350 0.000 0.000 0.203 27 E C 2.562 179.180 176.600 0.029 0.000 1.020 27 E CA 2.767 59.188 56.400 0.036 0.000 0.845 27 E CB -1.862 27.862 29.700 0.041 0.000 0.779 27 E HN 0.559 nan 8.360 nan 0.000 0.466 28 T N 0.515 115.089 114.554 0.033 0.000 2.699 28 T HA -0.122 4.228 4.350 0.000 0.000 0.268 28 T C 2.143 176.850 174.700 0.012 0.000 1.036 28 T CA 1.572 63.687 62.100 0.024 0.000 1.147 28 T CB -0.276 68.611 68.868 0.030 0.000 0.862 28 T HN 0.292 nan 8.240 nan 0.000 0.446 29 L N 0.476 121.705 121.223 0.011 0.000 2.209 29 L HA 0.236 4.576 4.340 0.000 0.000 0.207 29 L C 1.713 178.587 176.870 0.007 0.000 1.094 29 L CA 0.769 55.608 54.840 -0.001 0.000 0.790 29 L CB -0.731 41.324 42.059 -0.007 0.000 0.932 29 L HN 0.652 nan 8.230 nan 0.000 0.447 30 G N 1.622 110.432 108.800 0.017 0.000 2.452 30 G HA2 -0.224 3.736 3.960 0.000 0.000 0.275 30 G HA3 -0.224 3.736 3.960 0.000 0.000 0.275 30 G C -0.219 174.695 174.900 0.023 0.000 1.131 30 G CA 0.474 45.585 45.100 0.018 0.000 1.031 30 G HN 0.348 nan 8.290 nan 0.000 0.511 31 M N -1.874 117.744 119.600 0.031 0.000 2.833 31 M HA 0.734 5.214 4.480 0.000 0.000 0.270 31 M C -0.039 176.283 176.300 0.037 0.000 1.209 31 M CA -0.653 54.669 55.300 0.037 0.000 0.826 31 M CB 1.005 33.637 32.600 0.053 0.000 1.657 31 M HN 0.691 nan 8.290 nan 0.000 0.492 32 S N 0.505 116.223 115.700 0.030 0.000 2.561 32 S HA 0.278 4.748 4.470 0.000 0.000 0.294 32 S C 1.525 176.143 174.600 0.031 0.000 1.294 32 S CA 1.138 59.352 58.200 0.023 0.000 1.055 32 S CB 0.961 64.167 63.200 0.010 0.000 0.819 32 S HN 0.890 nan 8.310 nan 0.000 0.503 33 R N 3.055 123.576 120.500 0.035 0.000 2.152 33 R HA 0.060 4.400 4.340 0.000 0.000 0.232 33 R C 2.588 178.913 176.300 0.041 0.000 1.117 33 R CA 2.090 58.223 56.100 0.056 0.000 0.981 33 R CB -1.765 28.569 30.300 0.055 0.000 0.870 33 R HN 0.934 nan 8.270 nan 0.000 0.451 34 A N 0.816 123.645 122.820 0.014 0.000 1.930 34 A HA 0.253 4.573 4.320 0.000 0.000 0.217 34 A C 2.822 180.376 177.584 -0.050 0.000 1.175 34 A CA 1.704 53.734 52.037 -0.010 0.000 0.627 34 A CB -0.800 18.191 19.000 -0.015 0.000 0.815 34 A HN 0.888 nan 8.150 nan 0.000 0.443 35 A N 0.085 122.879 122.820 -0.043 0.000 1.865 35 A HA -0.141 4.179 4.320 0.000 0.000 0.217 35 A C 2.076 179.565 177.584 -0.158 0.000 1.191 35 A CA 1.739 53.720 52.037 -0.093 0.000 0.623 35 A CB -0.702 18.303 19.000 0.008 0.000 0.826 35 A HN 0.451 nan 8.150 nan 0.000 0.444 36 I N 0.180 120.742 120.570 -0.014 0.000 2.091 36 I HA -0.343 3.827 4.170 0.000 0.000 0.239 36 I C 2.429 178.494 176.117 -0.086 0.000 1.061 36 I CA 1.816 63.119 61.300 0.006 0.000 1.317 36 I CB -0.540 37.496 38.000 0.060 0.000 1.031 36 I HN 0.473 nan 8.210 nan 0.000 0.401 37 N N 0.506 119.193 118.700 -0.021 0.000 2.069 37 N HA -0.363 4.377 4.740 0.000 0.000 0.196 37 N C 2.083 177.501 175.510 -0.152 0.000 1.024 37 N CA 2.589 55.622 53.050 -0.029 0.000 0.869 37 N CB -0.086 38.429 38.487 0.047 0.000 1.035 37 N HN 0.421 nan 8.380 nan 0.000 0.434 38 K N 1.566 121.824 120.400 -0.236 0.000 2.015 38 K HA -0.217 4.103 4.320 0.000 0.000 0.216 38 K C 1.873 178.228 176.600 -0.407 0.000 1.052 38 K CA 1.965 58.040 56.287 -0.353 0.000 0.937 38 K CB -1.579 30.654 32.500 -0.445 0.000 0.719 38 K HN 0.473 nan 8.250 nan 0.000 0.446 39 H N -0.385 118.578 119.070 -0.179 0.000 2.321 39 H HA -0.011 4.545 4.556 0.000 0.000 0.300 39 H C 2.295 177.424 175.328 -0.332 0.000 1.087 39 H CA 1.378 57.273 56.048 -0.255 0.000 1.319 39 H CB -0.444 29.182 29.762 -0.227 0.000 1.379 39 H HN 0.286 nan 8.280 nan 0.000 0.501 40 I N 1.626 122.057 120.570 -0.232 0.000 2.229 40 I HA -0.308 3.862 4.170 0.000 0.000 0.250 40 I C 2.704 178.644 176.117 -0.295 0.000 1.096 40 I CA 1.348 62.443 61.300 -0.340 0.000 1.358 40 I CB -0.655 37.056 38.000 -0.482 0.000 1.047 40 I HN 0.219 nan 8.210 nan 0.000 0.422 41 Q N 0.027 119.679 119.800 -0.247 0.000 2.084 41 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 41 Q C 2.157 177.978 176.000 -0.298 0.000 0.978 41 Q CA 2.596 58.269 55.803 -0.216 0.000 0.844 41 Q CB -0.689 27.953 28.738 -0.160 0.000 0.898 41 Q HN 0.505 nan 8.270 nan 0.000 0.426 42 T N 1.603 115.918 114.554 -0.398 0.000 2.607 42 T HA -0.166 4.184 4.350 0.000 0.000 0.267 42 T C 1.757 175.876 174.700 -0.968 0.000 1.049 42 T CA 1.759 63.459 62.100 -0.667 0.000 1.162 42 T CB -0.507 67.927 68.868 -0.723 0.000 0.863 42 T HN 0.283 nan 8.240 nan 0.000 0.424 43 L N 0.273 120.983 121.223 -0.856 0.000 2.021 43 L HA -0.240 4.100 4.340 0.000 0.000 0.215 43 L C 2.870 179.523 176.870 -0.361 0.000 1.074 43 L CA 1.718 56.174 54.840 -0.640 0.000 0.760 43 L CB -0.616 41.189 42.059 -0.424 0.000 0.889 43 L HN 0.156 nan 8.230 nan 0.000 0.433 44 R N 0.322 120.645 120.500 -0.296 0.000 2.103 44 R HA -0.182 4.158 4.340 0.000 0.000 0.242 44 R C 2.003 178.232 176.300 -0.118 0.000 1.142 44 R CA 1.869 57.872 56.100 -0.162 0.000 0.960 44 R CB -0.308 29.910 30.300 -0.136 0.000 0.858 44 R HN 0.432 nan 8.270 nan 0.000 0.439 45 D N -0.995 119.282 120.400 -0.205 0.000 2.144 45 D HA -0.201 4.439 4.640 0.000 0.000 0.199 45 D C 1.135 177.515 176.300 0.133 0.000 0.984 45 D CA 0.916 54.872 54.000 -0.072 0.000 0.834 45 D CB -0.221 40.521 40.800 -0.098 0.000 0.955 45 D HN 0.355 nan 8.370 nan 0.000 0.465 46 W N 0.758 121.951 121.300 -0.179 0.000 3.096 46 W HA 0.236 4.896 4.660 0.000 0.000 0.241 46 W C 1.515 177.920 176.519 -0.191 0.000 1.316 46 W CA 0.713 57.831 57.345 -0.378 0.000 1.520 46 W CB -0.876 28.230 29.460 -0.590 0.000 1.128 46 W HN 0.113 nan 8.180 nan 0.000 0.707 47 G N -0.210 108.684 108.800 0.156 0.000 2.136 47 G HA2 -0.277 3.683 3.960 0.000 0.000 0.242 47 G HA3 -0.277 3.683 3.960 0.000 0.000 0.242 47 G C 0.095 175.059 174.900 0.106 0.000 0.989 47 G CA 0.072 45.256 45.100 0.140 0.000 0.682 47 G HN 0.018 nan 8.290 nan 0.000 0.522 48 V N 0.833 120.781 119.914 0.056 0.000 2.637 48 V HA 0.267 4.387 4.120 0.000 0.000 0.296 48 V C 0.546 176.637 176.094 -0.006 0.000 1.046 48 V CA -0.312 61.995 62.300 0.013 0.000 1.066 48 V CB 1.480 33.248 31.823 -0.092 0.000 0.968 48 V HN 0.270 nan 8.190 nan 0.000 0.483 49 D N 3.188 123.592 120.400 0.006 0.000 2.422 49 D HA 0.260 4.900 4.640 0.000 0.000 0.227 49 D C -0.706 175.575 176.300 -0.031 0.000 1.190 49 D CA 0.292 54.290 54.000 -0.003 0.000 0.905 49 D CB 1.490 42.297 40.800 0.012 0.000 1.034 49 D HN 0.324 nan 8.370 nan 0.000 0.507 50 V N 4.109 124.001 119.914 -0.037 0.000 2.376 50 V HA 0.601 4.721 4.120 0.000 0.000 0.287 50 V C -0.255 175.852 176.094 0.021 0.000 1.015 50 V CA -0.545 61.731 62.300 -0.039 0.000 0.834 50 V CB 0.494 32.257 31.823 -0.099 0.000 1.001 50 V HN 0.302 nan 8.190 nan 0.000 0.428 51 F N 3.422 123.388 119.950 0.028 0.000 2.371 51 F HA 0.827 5.354 4.527 0.000 0.000 0.329 51 F C 0.544 176.459 175.800 0.191 0.000 1.107 51 F CA -0.027 58.021 58.000 0.080 0.000 1.137 51 F CB 1.681 40.711 39.000 0.050 0.000 1.214 51 F HN 0.635 nan 8.300 nan 0.000 0.536 52 T N 1.505 116.181 114.554 0.204 0.000 2.985 52 T HA 0.525 4.875 4.350 0.000 0.000 0.315 52 T C -1.434 173.345 174.700 0.132 0.000 1.001 52 T CA -0.277 61.949 62.100 0.211 0.000 1.016 52 T CB 0.113 69.110 68.868 0.215 0.000 0.993 52 T HN 1.050 nan 8.240 nan 0.000 0.454 53 V N 9.153 129.164 119.914 0.161 0.000 2.304 53 V HA 0.326 4.446 4.120 0.000 0.000 0.269 53 V C -1.253 174.779 176.094 -0.103 0.000 1.036 53 V CA -1.809 60.499 62.300 0.014 0.000 0.840 53 V CB 0.748 32.533 31.823 -0.063 0.000 1.036 53 V HN 0.660 nan 8.190 nan 0.000 0.466 54 P HA -0.300 nan 4.420 nan 0.000 0.221 54 P C 1.710 178.927 177.300 -0.139 0.000 1.107 54 P CA 2.389 65.424 63.100 -0.108 0.000 0.986 54 P CB 0.027 31.683 31.700 -0.072 0.000 0.774 55 G N -0.901 107.817 108.800 -0.137 0.000 2.418 55 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 55 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 55 G C 1.852 176.624 174.900 -0.214 0.000 1.158 55 G CA 2.206 47.215 45.100 -0.151 0.000 0.771 55 G HN 0.561 nan 8.290 nan 0.000 0.545 56 K N -0.272 119.936 120.400 -0.320 0.000 1.991 56 K HA 0.459 4.779 4.320 0.000 0.000 0.207 56 K C 1.783 178.165 176.600 -0.363 0.000 1.045 56 K CA 2.084 58.041 56.287 -0.551 0.000 0.937 56 K CB -1.024 30.780 32.500 -1.160 0.000 0.720 56 K HN 1.609 nan 8.250 nan 0.000 0.438 57 G N -2.342 106.340 108.800 -0.196 0.000 2.204 57 G HA2 0.210 4.170 3.960 0.000 0.000 0.153 57 G HA3 0.210 4.170 3.960 0.000 0.000 0.153 57 G C -1.010 173.940 174.900 0.084 0.000 1.295 57 G CA -0.178 44.855 45.100 -0.111 0.000 1.257 57 G HN 0.721 nan 8.290 nan 0.000 0.495 58 Y N 0.658 121.218 120.300 0.433 0.000 2.570 58 Y HA 0.808 5.358 4.550 0.000 0.000 0.345 58 Y C 0.677 176.524 175.900 -0.088 0.000 1.014 58 Y CA -0.088 58.139 58.100 0.212 0.000 1.063 58 Y CB 2.464 40.978 38.460 0.090 0.000 1.272 58 Y HN 1.299 nan 8.280 nan 0.000 0.477 59 S N 0.320 115.951 115.700 -0.116 0.000 2.661 59 S HA 0.772 5.242 4.470 0.000 0.000 0.268 59 S C -2.152 172.328 174.600 -0.201 0.000 1.162 59 S CA -1.074 56.913 58.200 -0.355 0.000 0.817 59 S CB 1.006 63.550 63.200 -1.093 0.000 1.141 59 S HN 0.580 nan 8.310 nan 0.000 0.477 60 L N 1.309 122.428 121.223 -0.174 0.000 2.346 60 L HA 0.530 4.870 4.340 0.000 0.000 0.274 60 L C -1.646 175.166 176.870 -0.096 0.000 1.007 60 L CA -2.466 52.314 54.840 -0.100 0.000 0.818 60 L CB 1.942 43.966 42.059 -0.058 0.000 1.284 60 L HN 0.528 nan 8.230 nan 0.000 0.424 61 P HA -0.156 nan 4.420 nan 0.000 0.217 61 P C -0.111 177.176 177.300 -0.022 0.000 1.148 61 P CA 1.258 64.338 63.100 -0.033 0.000 0.828 61 P CB 0.321 32.015 31.700 -0.009 0.000 0.783 62 E N -1.420 118.771 120.200 -0.015 0.000 2.375 62 E HA 0.302 4.652 4.350 0.000 0.000 0.280 62 E C -3.081 173.520 176.600 0.001 0.000 0.972 62 E CA -2.351 54.046 56.400 -0.005 0.000 0.782 62 E CB 1.870 31.572 29.700 0.004 0.000 1.229 62 E HN -0.246 nan 8.360 nan 0.000 0.439 63 P HA 0.181 nan 4.420 nan 0.000 0.269 63 P C -0.497 176.815 177.300 0.020 0.000 1.211 63 P CA 0.296 63.405 63.100 0.014 0.000 0.781 63 P CB 0.480 32.190 31.700 0.018 0.000 0.877 64 I N 0.137 120.724 120.570 0.028 0.000 3.074 64 I HA 0.311 4.481 4.170 0.000 0.000 0.310 64 I C -0.092 176.048 176.117 0.040 0.000 1.153 64 I CA -0.987 60.337 61.300 0.040 0.000 0.993 64 I CB 2.501 40.541 38.000 0.067 0.000 1.237 64 I HN 0.258 nan 8.210 nan 0.000 0.443 65 Q N 3.884 123.706 119.800 0.036 0.000 2.266 65 Q HA 0.682 5.022 4.340 0.000 0.000 0.261 65 Q C -1.837 174.189 176.000 0.043 0.000 0.985 65 Q CA -0.681 55.139 55.803 0.028 0.000 0.873 65 Q CB 2.075 30.817 28.738 0.006 0.000 1.306 65 Q HN 0.499 nan 8.270 nan 0.000 0.447 66 L N 3.263 124.513 121.223 0.045 0.000 2.341 66 L HA 0.484 4.824 4.340 0.000 0.000 0.267 66 L C -0.279 176.605 176.870 0.024 0.000 1.009 66 L CA -1.062 53.816 54.840 0.064 0.000 0.819 66 L CB 1.687 43.811 42.059 0.109 0.000 1.323 66 L HN 0.635 nan 8.230 nan 0.000 0.425 67 L N 1.991 123.218 121.223 0.006 0.000 2.482 67 L HA 0.119 4.459 4.340 0.000 0.000 0.273 67 L C 0.103 176.979 176.870 0.010 0.000 1.228 67 L CA 0.326 55.158 54.840 -0.013 0.000 0.827 67 L CB 0.139 42.177 42.059 -0.035 0.000 1.099 67 L HN 0.589 nan 8.230 nan 0.000 0.494 68 N N 0.373 119.073 118.700 0.001 0.000 2.629 68 N HA 0.259 4.999 4.740 0.000 0.000 0.277 68 N C 0.126 175.636 175.510 0.000 0.000 1.188 68 N CA 0.107 53.160 53.050 0.006 0.000 0.835 68 N CB 1.551 40.043 38.487 0.009 0.000 1.420 68 N HN 0.606 nan 8.380 nan 0.000 0.542 69 A N 3.654 126.474 122.820 -0.000 0.000 1.958 69 A HA -0.214 4.106 4.320 0.000 0.000 0.221 69 A C 1.984 179.569 177.584 0.002 0.000 1.178 69 A CA 1.321 53.356 52.037 -0.002 0.000 0.642 69 A CB -0.280 18.720 19.000 -0.001 0.000 0.816 69 A HN 0.635 nan 8.150 nan 0.000 0.453 70 K N -0.497 119.906 120.400 0.005 0.000 2.009 70 K HA -0.199 4.121 4.320 0.000 0.000 0.210 70 K C 2.218 178.821 176.600 0.005 0.000 1.049 70 K CA 2.004 58.295 56.287 0.006 0.000 0.929 70 K CB -0.612 31.893 32.500 0.007 0.000 0.714 70 K HN 0.728 nan 8.250 nan 0.000 0.440 71 Q N 0.207 120.010 119.800 0.004 0.000 2.050 71 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 71 Q C 2.305 178.305 176.000 0.001 0.000 0.980 71 Q CA 1.307 57.111 55.803 0.003 0.000 0.840 71 Q CB -0.150 28.589 28.738 0.002 0.000 0.898 71 Q HN 0.253 nan 8.270 nan 0.000 0.424 72 I N 0.299 120.869 120.570 -0.001 0.000 2.090 72 I HA -0.320 3.850 4.170 0.000 0.000 0.236 72 I C 1.956 178.075 176.117 0.004 0.000 1.064 72 I CA 1.266 62.565 61.300 -0.002 0.000 1.324 72 I CB -0.268 37.728 38.000 -0.007 0.000 1.044 72 I HN 0.178 nan 8.210 nan 0.000 0.399 73 L N 0.498 121.724 121.223 0.005 0.000 2.353 73 L HA -0.110 4.230 4.340 0.000 0.000 0.220 73 L C 2.543 179.420 176.870 0.011 0.000 1.133 73 L CA 1.092 55.938 54.840 0.010 0.000 0.798 73 L CB -1.223 40.842 42.059 0.010 0.000 0.922 73 L HN 0.345 nan 8.230 nan 0.000 0.445 74 G N 0.371 109.176 108.800 0.008 0.000 2.446 74 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 74 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 74 G C 1.236 176.142 174.900 0.009 0.000 1.168 74 G CA 0.438 45.543 45.100 0.009 0.000 0.771 74 G HN 0.592 nan 8.290 nan 0.000 0.551 75 Q N -0.143 119.663 119.800 0.009 0.000 2.225 75 Q HA 0.501 4.841 4.340 0.000 0.000 0.222 75 Q C -0.327 175.680 176.000 0.013 0.000 0.887 75 Q CA -0.093 55.716 55.803 0.010 0.000 0.958 75 Q CB 0.214 28.956 28.738 0.007 0.000 1.058 75 Q HN 0.309 nan 8.270 nan 0.000 0.459 76 L N 0.640 121.873 121.223 0.016 0.000 2.408 76 L HA 0.458 4.798 4.340 0.000 0.000 0.268 76 L C -0.878 176.006 176.870 0.024 0.000 0.986 76 L CA -0.468 54.385 54.840 0.021 0.000 0.820 76 L CB 2.098 44.171 42.059 0.023 0.000 1.303 76 L HN 0.211 nan 8.230 nan 0.000 0.411 77 D N 2.799 123.216 120.400 0.028 0.000 2.467 77 D HA 0.549 5.189 4.640 0.000 0.000 0.220 77 D C 0.557 176.878 176.300 0.035 0.000 1.103 77 D CA 0.371 54.388 54.000 0.029 0.000 0.886 77 D CB 1.196 42.013 40.800 0.028 0.000 1.025 77 D HN 0.996 nan 8.370 nan 0.000 0.514 78 G N 0.782 109.602 108.800 0.032 0.000 2.593 78 G HA2 0.413 4.373 3.960 0.000 0.000 0.237 78 G HA3 0.413 4.373 3.960 0.000 0.000 0.237 78 G C 0.954 175.880 174.900 0.043 0.000 1.312 78 G CA 0.478 45.599 45.100 0.035 0.000 0.896 78 G HN 2.451 nan 8.290 nan 0.000 0.574 79 G N -1.717 107.111 108.800 0.047 0.000 3.051 79 G HA2 0.292 4.252 3.960 0.000 0.000 0.686 79 G HA3 0.292 4.252 3.960 0.000 0.000 0.686 79 G C 0.418 175.351 174.900 0.055 0.000 1.461 79 G CA 1.146 46.282 45.100 0.059 0.000 1.129 79 G HN 2.382 nan 8.290 nan 0.000 0.601 80 S N -0.042 115.694 115.700 0.059 0.000 2.548 80 S HA 0.613 5.083 4.470 0.000 0.000 0.277 80 S C 0.224 174.860 174.600 0.060 0.000 1.315 80 S CA 0.090 58.322 58.200 0.054 0.000 1.050 80 S CB 1.060 64.293 63.200 0.054 0.000 0.918 80 S HN 1.607 nan 8.310 nan 0.000 0.497 81 V N 3.480 123.419 119.914 0.042 0.000 2.668 81 V HA 0.725 4.845 4.120 0.000 0.000 0.304 81 V C -0.143 175.950 176.094 -0.002 0.000 1.071 81 V CA -0.701 61.615 62.300 0.027 0.000 0.894 81 V CB 1.554 33.391 31.823 0.022 0.000 1.008 81 V HN 1.106 nan 8.190 nan 0.000 0.425 82 A N 4.437 127.230 122.820 -0.045 0.000 2.271 82 A HA 0.831 5.151 4.320 0.000 0.000 0.317 82 A C -0.655 176.845 177.584 -0.139 0.000 1.245 82 A CA -0.521 51.451 52.037 -0.107 0.000 0.857 82 A CB 1.242 20.101 19.000 -0.234 0.000 1.175 82 A HN 0.796 nan 8.150 nan 0.000 0.512 83 V N 3.719 123.577 119.914 -0.094 0.000 2.333 83 V HA 0.418 4.538 4.120 0.000 0.000 0.274 83 V C -0.353 175.689 176.094 -0.086 0.000 1.028 83 V CA -0.047 62.205 62.300 -0.081 0.000 0.851 83 V CB 0.323 32.120 31.823 -0.042 0.000 1.000 83 V HN 0.698 nan 8.190 nan 0.000 0.456 84 L N 6.799 127.956 121.223 -0.109 0.000 2.490 84 L HA 0.353 4.693 4.340 0.000 0.000 0.256 84 L C -1.884 174.947 176.870 -0.065 0.000 1.089 84 L CA -1.307 53.479 54.840 -0.090 0.000 0.916 84 L CB 2.121 44.081 42.059 -0.164 0.000 1.188 84 L HN 0.347 nan 8.230 nan 0.000 0.476 85 P HA -0.147 nan 4.420 nan 0.000 0.217 85 P C 0.275 177.562 177.300 -0.022 0.000 1.148 85 P CA 1.115 64.204 63.100 -0.018 0.000 0.834 85 P CB 0.278 32.045 31.700 0.111 0.000 0.783 86 V N 0.390 120.296 119.914 -0.013 0.000 2.448 86 V HA 0.481 4.601 4.120 0.000 0.000 0.295 86 V C 0.039 176.107 176.094 -0.043 0.000 1.025 86 V CA -0.522 61.746 62.300 -0.054 0.000 0.859 86 V CB 2.123 33.795 31.823 -0.252 0.000 0.988 86 V HN -0.089 nan 8.190 nan 0.000 0.431 87 I N 1.835 122.369 120.570 -0.061 0.000 3.021 87 I HA 0.301 4.471 4.170 0.000 0.000 0.305 87 I C 0.124 176.169 176.117 -0.121 0.000 1.434 87 I CA -0.565 60.692 61.300 -0.071 0.000 0.969 87 I CB 2.754 40.697 38.000 -0.096 0.000 1.328 87 I HN 0.737 nan 8.210 nan 0.000 0.486 88 D N 2.032 122.388 120.400 -0.072 0.000 2.083 88 D HA -0.048 4.592 4.640 0.000 0.000 0.199 88 D C 0.507 176.710 176.300 -0.161 0.000 0.980 88 D CA 1.224 55.171 54.000 -0.089 0.000 0.851 88 D CB -0.206 40.579 40.800 -0.026 0.000 0.997 88 D HN 0.355 nan 8.370 nan 0.000 0.449 89 S N -1.845 113.786 115.700 -0.115 0.000 2.543 89 S HA 0.416 4.886 4.470 0.000 0.000 0.271 89 S C 0.777 175.335 174.600 -0.070 0.000 1.148 89 S CA -0.011 58.099 58.200 -0.150 0.000 0.914 89 S CB 1.412 64.543 63.200 -0.117 0.000 1.096 89 S HN 0.336 nan 8.310 nan 0.000 0.471 90 T N 2.426 116.915 114.554 -0.109 0.000 2.746 90 T HA -0.121 4.229 4.350 0.000 0.000 0.267 90 T C 1.412 176.141 174.700 0.047 0.000 1.039 90 T CA 1.726 63.804 62.100 -0.036 0.000 1.142 90 T CB -0.798 68.047 68.868 -0.037 0.000 0.866 90 T HN 0.563 nan 8.240 nan 0.000 0.444 91 N N 1.159 119.870 118.700 0.017 0.000 2.080 91 N HA -0.043 4.697 4.740 0.000 0.000 0.189 91 N C 2.046 177.592 175.510 0.060 0.000 1.036 91 N CA 1.259 54.337 53.050 0.046 0.000 0.846 91 N CB -0.713 37.786 38.487 0.019 0.000 1.015 91 N HN 0.353 nan 8.380 nan 0.000 0.423 92 Q N 0.129 119.949 119.800 0.034 0.000 2.045 92 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 92 Q C 1.864 177.895 176.000 0.052 0.000 0.991 92 Q CA 1.445 57.263 55.803 0.025 0.000 0.851 92 Q CB -0.904 27.837 28.738 0.006 0.000 0.911 92 Q HN 0.522 nan 8.270 nan 0.000 0.418 93 Y N 0.150 120.427 120.300 -0.039 0.000 2.062 93 Y HA -0.311 4.239 4.550 0.000 0.000 0.276 93 Y C 1.753 177.634 175.900 -0.032 0.000 1.189 93 Y CA 2.301 60.381 58.100 -0.034 0.000 1.130 93 Y CB -0.316 38.125 38.460 -0.032 0.000 0.959 93 Y HN 0.181 nan 8.280 nan 0.000 0.499 94 L N -0.871 120.473 121.223 0.202 0.000 2.072 94 L HA -0.189 4.151 4.340 0.000 0.000 0.205 94 L C 2.496 179.342 176.870 -0.039 0.000 1.079 94 L CA 0.927 55.818 54.840 0.085 0.000 0.752 94 L CB -0.783 41.377 42.059 0.168 0.000 0.906 94 L HN 0.237 nan 8.230 nan 0.000 0.436 95 L N -0.041 121.185 121.223 0.005 0.000 1.997 95 L HA -0.306 4.034 4.340 0.000 0.000 0.216 95 L C 2.390 179.213 176.870 -0.077 0.000 1.074 95 L CA 1.454 56.285 54.840 -0.015 0.000 0.763 95 L CB -0.800 41.259 42.059 -0.000 0.000 0.890 95 L HN 0.374 nan 8.230 nan 0.000 0.434 96 D N -0.052 120.281 120.400 -0.112 0.000 2.149 96 D HA -0.186 4.454 4.640 0.000 0.000 0.198 96 D C 1.970 178.152 176.300 -0.196 0.000 0.990 96 D CA 1.356 55.263 54.000 -0.155 0.000 0.839 96 D CB -0.113 40.583 40.800 -0.173 0.000 0.948 96 D HN 0.220 nan 8.370 nan 0.000 0.460 97 R N 0.336 120.684 120.500 -0.253 0.000 2.356 97 R HA 0.222 4.562 4.340 0.000 0.000 0.234 97 R C 1.983 178.131 176.300 -0.254 0.000 0.929 97 R CA -0.244 55.704 56.100 -0.254 0.000 1.084 97 R CB -0.180 29.942 30.300 -0.298 0.000 1.105 97 R HN 0.191 nan 8.270 nan 0.000 0.515 98 I N -0.150 120.276 120.570 -0.239 0.000 2.161 98 I HA -0.359 3.811 4.170 0.000 0.000 0.246 98 I C 1.960 177.888 176.117 -0.316 0.000 1.048 98 I CA 2.199 63.315 61.300 -0.308 0.000 1.314 98 I CB -0.583 37.316 38.000 -0.168 0.000 1.014 98 I HN 0.410 nan 8.210 nan 0.000 0.418 99 G N -0.025 108.659 108.800 -0.193 0.000 2.534 99 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 99 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 99 G C 1.203 176.011 174.900 -0.153 0.000 1.128 99 G CA 0.146 45.159 45.100 -0.144 0.000 0.784 99 G HN 0.531 nan 8.290 nan 0.000 0.542 100 E N -0.309 119.781 120.200 -0.184 0.000 2.463 100 E HA 0.261 4.611 4.350 0.000 0.000 0.193 100 E C 0.214 176.713 176.600 -0.168 0.000 1.041 100 E CA -0.282 56.030 56.400 -0.146 0.000 0.879 100 E CB 0.286 29.912 29.700 -0.123 0.000 0.997 100 E HN 0.396 nan 8.360 nan 0.000 0.478 101 L N -0.142 120.906 121.223 -0.291 0.000 2.298 101 L HA 0.570 4.910 4.340 0.000 0.000 0.268 101 L C 0.144 176.935 176.870 -0.132 0.000 1.010 101 L CA -1.260 53.400 54.840 -0.300 0.000 0.812 101 L CB 0.873 42.627 42.059 -0.508 0.000 1.331 101 L HN -0.245 nan 8.230 nan 0.000 0.450 102 K N -0.185 120.263 120.400 0.080 0.000 2.469 102 K HA 0.405 4.725 4.320 0.000 0.000 0.254 102 K C -1.193 175.598 176.600 0.318 0.000 0.939 102 K CA -0.706 55.691 56.287 0.182 0.000 0.812 102 K CB 2.212 34.738 32.500 0.044 0.000 1.301 102 K HN 0.716 nan 8.250 nan 0.000 0.433 103 S N 0.045 115.707 115.700 -0.064 0.000 2.544 103 S HA 0.316 4.786 4.470 0.000 0.000 0.290 103 S C 1.155 175.646 174.600 -0.181 0.000 1.276 103 S CA 0.438 58.323 58.200 -0.524 0.000 1.075 103 S CB 0.432 62.529 63.200 -1.838 0.000 0.849 103 S HN 0.998 nan 8.310 nan 0.000 0.494 104 G N 2.297 111.245 108.800 0.247 0.000 2.339 104 G HA2 -0.202 3.758 3.960 0.000 0.000 0.209 104 G HA3 -0.202 3.758 3.960 0.000 0.000 0.209 104 G C -0.351 174.698 174.900 0.248 0.000 1.015 104 G CA -0.243 45.058 45.100 0.336 0.000 0.635 104 G HN 0.689 nan 8.290 nan 0.000 0.499 105 D N 1.709 122.252 120.400 0.238 0.000 2.478 105 D HA 0.529 5.169 4.640 0.000 0.000 0.234 105 D C 0.716 177.132 176.300 0.193 0.000 1.154 105 D CA 1.486 55.598 54.000 0.186 0.000 0.874 105 D CB 1.204 42.096 40.800 0.154 0.000 1.198 105 D HN 1.093 nan 8.370 nan 0.000 0.455 106 A N 0.584 123.483 122.820 0.133 0.000 2.567 106 A HA 0.677 4.997 4.320 0.000 0.000 0.289 106 A C -1.410 176.201 177.584 0.046 0.000 1.177 106 A CA -0.614 51.488 52.037 0.109 0.000 0.694 106 A CB 1.921 20.976 19.000 0.090 0.000 1.292 106 A HN 0.638 nan 8.150 nan 0.000 0.425 107 C N 0.353 119.655 119.300 0.004 0.000 2.642 107 C HA 0.759 5.219 4.460 0.000 0.000 0.344 107 C C -1.680 173.263 174.990 -0.078 0.000 1.110 107 C CA -0.409 58.545 59.018 -0.108 0.000 1.298 107 C CB -0.518 27.121 27.740 -0.168 0.000 1.827 107 C HN 0.648 nan 8.230 nan 0.000 0.467 108 I N 4.990 125.501 120.570 -0.098 0.000 2.545 108 I HA 0.852 5.022 4.170 0.000 0.000 0.292 108 I C 0.216 176.292 176.117 -0.068 0.000 1.040 108 I CA 0.006 61.271 61.300 -0.057 0.000 1.068 108 I CB 1.920 39.892 38.000 -0.047 0.000 1.251 108 I HN 0.875 nan 8.210 nan 0.000 0.424 109 A N 3.960 126.770 122.820 -0.016 0.000 2.587 109 A HA 0.733 5.053 4.320 0.000 0.000 0.293 109 A C -0.284 177.320 177.584 0.033 0.000 1.087 109 A CA -0.531 51.502 52.037 -0.007 0.000 0.692 109 A CB 1.481 20.473 19.000 -0.014 0.000 1.291 109 A HN 0.813 nan 8.150 nan 0.000 0.407 110 E N -0.390 119.747 120.200 -0.105 0.000 2.660 110 E HA 0.254 4.604 4.350 0.000 0.000 0.216 110 E C -1.223 175.271 176.600 -0.178 0.000 0.986 110 E CA -0.021 56.227 56.400 -0.254 0.000 1.037 110 E CB 0.772 30.156 29.700 -0.527 0.000 1.041 110 E HN 0.545 nan 8.360 nan 0.000 0.480 111 Y N 1.274 121.480 120.300 -0.157 0.000 2.348 111 Y HA 0.293 4.843 4.550 0.000 0.000 0.321 111 Y C -1.711 174.076 175.900 -0.189 0.000 1.163 111 Y CA -0.513 57.504 58.100 -0.138 0.000 1.070 111 Y CB 1.823 40.149 38.460 -0.224 0.000 1.250 111 Y HN -0.107 nan 8.280 nan 0.000 0.425 112 Q N 5.209 124.460 119.800 -0.914 0.000 2.325 112 Q HA 0.302 4.643 4.340 0.000 0.000 0.270 112 Q C -0.153 175.362 176.000 -0.808 0.000 1.020 112 Q CA -0.617 54.710 55.803 -0.792 0.000 0.785 112 Q CB 2.126 30.354 28.738 -0.850 0.000 1.259 112 Q HN 0.824 nan 8.270 nan 0.000 0.452 113 Q N 0.644 120.130 119.800 -0.524 0.000 2.403 113 Q HA 0.198 4.538 4.340 0.000 0.000 0.203 113 Q C -0.092 175.795 176.000 -0.188 0.000 0.932 113 Q CA 0.216 55.832 55.803 -0.312 0.000 0.945 113 Q CB 0.717 29.412 28.738 -0.072 0.000 1.045 113 Q HN 0.535 nan 8.270 nan 0.000 0.511 114 A N 0.453 123.145 122.820 -0.214 0.000 3.330 114 A HA 0.429 4.749 4.320 0.000 0.000 0.256 114 A C 0.009 177.492 177.584 -0.168 0.000 1.185 114 A CA -0.483 51.469 52.037 -0.142 0.000 0.940 114 A CB -0.008 18.941 19.000 -0.086 0.000 1.397 114 A HN 0.176 nan 8.150 nan 0.000 0.678 115 G N 0.867 109.539 108.800 -0.214 0.000 2.406 115 G HA2 0.449 4.409 3.960 0.000 0.000 0.251 115 G HA3 0.449 4.409 3.960 0.000 0.000 0.251 115 G C 0.185 175.009 174.900 -0.126 0.000 1.271 115 G CA -0.324 44.646 45.100 -0.217 0.000 0.859 115 G HN 0.713 nan 8.290 nan 0.000 0.540 116 R N 0.706 121.144 120.500 -0.103 0.000 2.577 116 R HA 0.532 4.872 4.340 0.000 0.000 0.269 116 R C 1.183 177.452 176.300 -0.052 0.000 1.084 116 R CA 0.391 56.454 56.100 -0.063 0.000 1.163 116 R CB 0.905 31.177 30.300 -0.048 0.000 1.100 116 R HN 0.975 nan 8.270 nan 0.000 0.547 117 G N 0.776 109.555 108.800 -0.036 0.000 2.141 117 G HA2 -0.294 3.666 3.960 0.000 0.000 0.242 117 G HA3 -0.294 3.666 3.960 0.000 0.000 0.242 117 G C -0.062 174.825 174.900 -0.022 0.000 0.982 117 G CA 0.233 45.316 45.100 -0.027 0.000 0.662 117 G HN 0.649 nan 8.290 nan 0.000 0.527 126 P HA 0.239 nan 4.420 nan 0.000 0.269 126 P C 0.060 177.594 177.300 0.389 0.000 1.209 126 P CA -0.369 62.928 63.100 0.327 0.000 0.776 126 P CB 0.172 31.999 31.700 0.211 0.000 0.876 127 F N 1.940 122.040 119.950 0.250 0.000 2.637 127 F HA 0.159 4.686 4.527 0.000 0.000 0.372 127 F C 1.667 177.530 175.800 0.106 0.000 1.107 127 F CA 1.881 59.970 58.000 0.148 0.000 1.325 127 F CB -0.190 38.710 39.000 -0.166 0.000 1.016 127 F HN 0.728 nan 8.300 nan 0.000 0.593 128 G N 3.410 111.894 108.800 -0.526 0.000 2.200 128 G HA2 -0.352 3.608 3.960 0.000 0.000 0.268 128 G HA3 -0.352 3.608 3.960 0.000 0.000 0.268 128 G C 0.918 175.744 174.900 -0.124 0.000 0.986 128 G CA 0.661 45.551 45.100 -0.350 0.000 0.677 128 G HN 1.529 nan 8.290 nan 0.000 0.532 129 A N -1.119 121.669 122.820 -0.054 0.000 2.169 129 A HA 0.482 4.802 4.320 0.000 0.000 0.212 129 A C 1.035 178.541 177.584 -0.129 0.000 1.153 129 A CA 1.471 53.482 52.037 -0.043 0.000 0.756 129 A CB 0.080 19.094 19.000 0.024 0.000 0.813 129 A HN 0.494 nan 8.150 nan 0.000 0.471 130 N N -2.225 116.333 118.700 -0.237 0.000 2.455 130 N HA 0.600 5.340 4.740 0.000 0.000 0.278 130 N C -1.631 173.495 175.510 -0.639 0.000 1.291 130 N CA -0.450 52.336 53.050 -0.441 0.000 0.780 130 N CB 1.754 39.873 38.487 -0.614 0.000 1.520 130 N HN 0.088 nan 8.380 nan 0.000 0.486 131 L N 1.591 122.408 121.223 -0.677 0.000 2.333 131 L HA 0.577 4.917 4.340 0.000 0.000 0.280 131 L C -1.772 174.719 176.870 -0.632 0.000 1.004 131 L CA -0.474 54.042 54.840 -0.540 0.000 0.820 131 L CB 0.553 42.446 42.059 -0.277 0.000 1.247 131 L HN 0.476 nan 8.230 nan 0.000 0.416 132 Y N 5.611 125.845 120.300 -0.110 0.000 2.341 132 Y HA 0.694 5.245 4.550 0.000 0.000 0.338 132 Y C -0.515 175.334 175.900 -0.084 0.000 0.965 132 Y CA -0.663 57.378 58.100 -0.099 0.000 1.108 132 Y CB 1.806 40.195 38.460 -0.118 0.000 1.180 132 Y HN 0.564 nan 8.280 nan 0.000 0.458 133 L N 2.259 123.535 121.223 0.090 0.000 2.431 133 L HA 0.821 5.161 4.340 0.000 0.000 0.266 133 L C -1.046 175.851 176.870 0.045 0.000 0.978 133 L CA -0.139 54.724 54.840 0.039 0.000 0.822 133 L CB 1.819 43.879 42.059 0.002 0.000 1.310 133 L HN 0.612 nan 8.230 nan 0.000 0.409 134 S N 5.196 120.923 115.700 0.044 0.000 2.540 134 S HA 0.697 5.167 4.470 0.000 0.000 0.275 134 S C -1.020 173.637 174.600 0.096 0.000 1.123 134 S CA -0.587 57.652 58.200 0.064 0.000 0.907 134 S CB 2.041 65.285 63.200 0.073 0.000 1.081 134 S HN 0.695 nan 8.310 nan 0.000 0.476 135 M N 2.777 122.449 119.600 0.119 0.000 2.619 135 M HA 0.665 5.145 4.480 0.000 0.000 0.297 135 M C -2.033 174.427 176.300 0.267 0.000 1.229 135 M CA -0.826 54.583 55.300 0.182 0.000 0.860 135 M CB 1.924 34.609 32.600 0.142 0.000 1.741 135 M HN 0.715 nan 8.290 nan 0.000 0.462 136 F N 2.826 122.886 119.950 0.182 0.000 2.492 136 F HA 0.735 5.262 4.527 0.000 0.000 0.327 136 F C -1.978 174.026 175.800 0.340 0.000 1.079 136 F CA -0.478 57.637 58.000 0.191 0.000 0.967 136 F CB 1.345 40.410 39.000 0.110 0.000 1.169 136 F HN 0.603 nan 8.300 nan 0.000 0.472 137 W N 7.654 128.223 121.300 -1.218 0.000 3.372 137 W HA 0.352 5.012 4.660 0.000 0.000 0.315 137 W C -1.702 174.167 176.519 -1.083 0.000 1.223 137 W CA -0.887 55.889 57.345 -0.950 0.000 1.202 137 W CB 1.931 31.163 29.460 -0.379 0.000 1.367 137 W HN 0.684 nan 8.180 nan 0.000 0.531 138 R N 5.885 125.737 120.500 -1.080 0.000 2.239 138 R HA 0.444 4.784 4.340 0.000 0.000 0.332 138 R C -1.308 174.858 176.300 -0.224 0.000 0.988 138 R CA -0.449 55.361 56.100 -0.483 0.000 0.859 138 R CB 0.754 30.904 30.300 -0.251 0.000 1.148 138 R HN 0.571 nan 8.270 nan 0.000 0.482 139 L N 3.771 125.028 121.223 0.056 0.000 2.313 139 L HA 0.249 4.589 4.340 0.000 0.000 0.282 139 L C 0.477 177.386 176.870 0.066 0.000 1.092 139 L CA 0.034 54.974 54.840 0.167 0.000 0.831 139 L CB 1.185 43.363 42.059 0.198 0.000 1.159 139 L HN 0.813 nan 8.230 nan 0.000 0.442 140 E N 3.441 123.674 120.200 0.054 0.000 2.223 140 E HA 0.578 4.928 4.350 0.000 0.000 0.282 140 E C 0.138 176.756 176.600 0.030 0.000 1.046 140 E CA 0.585 57.000 56.400 0.026 0.000 0.857 140 E CB 1.178 30.885 29.700 0.011 0.000 1.055 140 E HN 0.753 nan 8.360 nan 0.000 0.409 144 A N 0.476 123.327 122.820 0.051 0.000 3.154 144 A HA 0.802 5.122 4.320 0.000 0.000 0.310 144 A C 0.561 178.200 177.584 0.092 0.000 1.093 144 A CA 0.625 52.678 52.037 0.026 0.000 1.006 144 A CB 0.132 19.128 19.000 -0.006 0.000 1.084 144 A HN 0.618 nan 8.150 nan 0.000 0.549 145 A N -0.561 122.344 122.820 0.140 0.000 2.032 145 A HA 0.805 5.125 4.320 0.000 0.000 0.169 145 A C 1.457 179.131 177.584 0.150 0.000 1.369 145 A CA 1.152 53.342 52.037 0.255 0.000 2.498 145 A CB -1.075 18.032 19.000 0.178 0.000 2.850 145 A HN 2.066 nan 8.150 nan 0.000 1.174 146 A N -0.308 122.550 122.820 0.063 0.000 4.920 146 A HA -0.339 3.981 4.320 0.000 0.000 0.357 146 A C 1.646 179.197 177.584 -0.055 0.000 1.642 146 A CA 2.420 54.453 52.037 -0.007 0.000 0.716 146 A CB -2.112 16.890 19.000 0.002 0.000 1.508 146 A HN 1.240 nan 8.150 nan 0.000 0.443 147 I N 0.551 121.099 120.570 -0.037 0.000 2.226 147 I HA -0.168 4.002 4.170 0.000 0.000 0.245 147 I C 2.746 178.821 176.117 -0.070 0.000 1.100 147 I CA 2.237 63.491 61.300 -0.077 0.000 1.374 147 I CB -1.913 36.066 38.000 -0.034 0.000 1.057 147 I HN 0.736 nan 8.210 nan 0.000 0.413 148 G N 1.415 110.238 108.800 0.039 0.000 2.586 148 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 148 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 148 G C 1.614 176.347 174.900 -0.278 0.000 1.216 148 G CA 0.681 45.815 45.100 0.057 0.000 0.786 148 G HN 0.229 nan 8.290 nan 0.000 0.583 149 L N 1.762 122.749 121.223 -0.395 0.000 2.017 149 L HA -0.261 4.079 4.340 0.000 0.000 0.234 149 L C 3.216 179.804 176.870 -0.470 0.000 1.097 149 L CA 2.902 57.360 54.840 -0.637 0.000 0.816 149 L CB -1.399 40.450 42.059 -0.351 0.000 0.914 149 L HN 0.442 nan 8.230 nan 0.000 0.444 150 S N -1.229 114.291 115.700 -0.301 0.000 2.420 150 S HA -0.215 4.255 4.470 0.000 0.000 0.237 150 S C 2.083 176.550 174.600 -0.222 0.000 1.023 150 S CA 1.684 59.738 58.200 -0.243 0.000 0.991 150 S CB -0.554 62.519 63.200 -0.212 0.000 0.792 150 S HN 0.487 nan 8.310 nan 0.000 0.488 151 L N 0.740 121.811 121.223 -0.253 0.000 2.005 151 L HA -0.035 4.305 4.340 0.000 0.000 0.207 151 L C 2.760 179.525 176.870 -0.175 0.000 1.072 151 L CA 1.263 56.012 54.840 -0.151 0.000 0.744 151 L CB -0.983 40.954 42.059 -0.204 0.000 0.895 151 L HN 0.218 nan 8.230 nan 0.000 0.433 152 V N 0.356 120.001 119.914 -0.447 0.000 2.332 152 V HA -0.307 3.813 4.120 0.000 0.000 0.248 152 V C 2.414 178.278 176.094 -0.384 0.000 1.055 152 V CA 1.969 63.885 62.300 -0.641 0.000 1.038 152 V CB -0.493 30.759 31.823 -0.952 0.000 0.651 152 V HN 0.275 nan 8.190 nan 0.000 0.450 153 I N 1.117 121.487 120.570 -0.332 0.000 2.151 153 I HA -0.216 3.954 4.170 0.000 0.000 0.243 153 I C 2.558 178.604 176.117 -0.119 0.000 1.080 153 I CA 2.085 63.255 61.300 -0.216 0.000 1.339 153 I CB -0.890 36.993 38.000 -0.195 0.000 1.039 153 I HN 0.367 nan 8.210 nan 0.000 0.409 154 G N 0.001 108.762 108.800 -0.065 0.000 2.443 154 G HA2 -0.149 3.811 3.960 0.000 0.000 0.219 154 G HA3 -0.149 3.811 3.960 0.000 0.000 0.219 154 G C 1.692 176.587 174.900 -0.009 0.000 1.131 154 G CA 0.421 45.517 45.100 -0.007 0.000 0.775 154 G HN 0.281 nan 8.290 nan 0.000 0.547 155 I N 0.213 120.784 120.570 0.001 0.000 2.058 155 I HA -0.188 3.982 4.170 0.000 0.000 0.235 155 I C 2.838 178.955 176.117 0.001 0.000 1.053 155 I CA 0.910 62.221 61.300 0.019 0.000 1.313 155 I CB -0.285 37.759 38.000 0.073 0.000 1.039 155 I HN 0.043 nan 8.210 nan 0.000 0.396 156 V N 0.272 120.179 119.914 -0.013 0.000 2.231 156 V HA -0.412 3.708 4.120 0.000 0.000 0.248 156 V C 2.452 178.534 176.094 -0.020 0.000 1.054 156 V CA 2.397 64.694 62.300 -0.004 0.000 1.015 156 V CB -0.538 31.263 31.823 -0.036 0.000 0.638 156 V HN 0.404 nan 8.190 nan 0.000 0.444 157 M N -0.580 118.998 119.600 -0.038 0.000 2.088 157 M HA -0.287 4.193 4.480 0.000 0.000 0.256 157 M C 2.277 178.558 176.300 -0.033 0.000 1.071 157 M CA 2.554 57.831 55.300 -0.037 0.000 1.097 157 M CB -0.536 32.039 32.600 -0.041 0.000 1.315 157 M HN 0.444 nan 8.290 nan 0.000 0.406 158 A N -0.305 122.494 122.820 -0.034 0.000 1.933 158 A HA -0.209 4.111 4.320 0.000 0.000 0.218 158 A C 1.815 179.378 177.584 -0.034 0.000 1.175 158 A CA 1.942 53.954 52.037 -0.041 0.000 0.628 158 A CB -0.751 18.212 19.000 -0.062 0.000 0.814 158 A HN 0.599 nan 8.150 nan 0.000 0.444 159 E N -0.429 119.758 120.200 -0.021 0.000 2.023 159 E HA -0.151 4.199 4.350 0.000 0.000 0.196 159 E C 2.024 178.615 176.600 -0.014 0.000 1.003 159 E CA 1.441 57.834 56.400 -0.011 0.000 0.809 159 E CB -0.401 29.306 29.700 0.011 0.000 0.755 159 E HN 0.343 nan 8.360 nan 0.000 0.449 160 V N 1.578 121.485 119.914 -0.013 0.000 2.278 160 V HA -0.310 3.810 4.120 0.000 0.000 0.251 160 V C 2.418 178.499 176.094 -0.022 0.000 1.062 160 V CA 1.770 64.060 62.300 -0.015 0.000 1.038 160 V CB -0.547 31.266 31.823 -0.018 0.000 0.646 160 V HN 0.263 nan 8.190 nan 0.000 0.447 161 L N -0.858 120.348 121.223 -0.029 0.000 2.043 161 L HA -0.250 4.090 4.340 0.000 0.000 0.212 161 L C 2.737 179.588 176.870 -0.030 0.000 1.075 161 L CA 1.902 56.722 54.840 -0.033 0.000 0.752 161 L CB -0.548 41.487 42.059 -0.039 0.000 0.891 161 L HN 0.236 nan 8.230 nan 0.000 0.432 162 R N -0.195 120.287 120.500 -0.029 0.000 2.083 162 R HA -0.174 4.166 4.340 0.000 0.000 0.237 162 R C 2.336 178.623 176.300 -0.022 0.000 1.137 162 R CA 1.477 57.560 56.100 -0.028 0.000 0.951 162 R CB -0.231 30.052 30.300 -0.029 0.000 0.851 162 R HN 0.314 nan 8.270 nan 0.000 0.434 163 K N 0.587 120.976 120.400 -0.018 0.000 2.032 163 K HA -0.152 4.168 4.320 0.000 0.000 0.209 163 K C 1.760 178.350 176.600 -0.015 0.000 1.048 163 K CA 1.365 57.643 56.287 -0.014 0.000 0.927 163 K CB -0.275 32.219 32.500 -0.011 0.000 0.712 163 K HN 0.161 nan 8.250 nan 0.000 0.441 164 L N -0.042 121.170 121.223 -0.018 0.000 2.711 164 L HA 0.026 4.366 4.340 0.000 0.000 0.242 164 L C 1.237 178.095 176.870 -0.020 0.000 1.153 164 L CA 0.623 55.452 54.840 -0.019 0.000 0.898 164 L CB -0.262 41.785 42.059 -0.021 0.000 1.044 164 L HN 0.506 nan 8.230 nan 0.000 0.437 165 G N -0.855 107.933 108.800 -0.021 0.000 2.211 165 G HA2 -0.186 3.774 3.960 0.000 0.000 0.201 165 G HA3 -0.186 3.774 3.960 0.000 0.000 0.201 165 G C 0.333 175.218 174.900 -0.025 0.000 0.997 165 G CA -0.240 44.847 45.100 -0.021 0.000 0.652 165 G HN 0.443 nan 8.290 nan 0.000 0.500 166 A N 1.565 124.367 122.820 -0.029 0.000 2.650 166 A HA 0.569 4.889 4.320 0.000 0.000 0.320 166 A C 1.320 178.883 177.584 -0.034 0.000 1.466 166 A CA 0.721 52.738 52.037 -0.033 0.000 1.099 166 A CB 0.061 19.038 19.000 -0.037 0.000 1.136 166 A HN 0.440 nan 8.150 nan 0.000 0.532 167 D N 2.036 122.417 120.400 -0.032 0.000 2.213 167 D HA -0.121 4.519 4.640 0.000 0.000 0.205 167 D C 0.778 177.053 176.300 -0.041 0.000 0.961 167 D CA 1.000 54.979 54.000 -0.035 0.000 0.853 167 D CB -0.135 40.647 40.800 -0.030 0.000 0.967 167 D HN 0.539 nan 8.370 nan 0.000 0.496 168 K N 0.826 121.201 120.400 -0.040 0.000 2.546 168 K HA 0.170 4.490 4.320 0.000 0.000 0.198 168 K C 0.006 176.576 176.600 -0.051 0.000 1.028 168 K CA -0.192 56.067 56.287 -0.046 0.000 1.150 168 K CB 0.563 33.038 32.500 -0.041 0.000 0.876 168 K HN 0.006 nan 8.250 nan 0.000 0.508 169 V N 1.800 121.684 119.914 -0.050 0.000 2.715 169 V HA 0.096 4.216 4.120 0.000 0.000 0.299 169 V C 0.632 176.686 176.094 -0.067 0.000 1.054 169 V CA -0.027 62.244 62.300 -0.048 0.000 1.077 169 V CB 0.700 32.496 31.823 -0.045 0.000 0.972 169 V HN 0.296 nan 8.190 nan 0.000 0.484 170 R N 2.069 122.534 120.500 -0.057 0.000 2.855 170 R HA 0.764 5.104 4.340 0.000 0.000 0.266 170 R C -1.580 174.660 176.300 -0.100 0.000 1.034 170 R CA -0.882 55.146 56.100 -0.121 0.000 0.944 170 R CB 2.343 32.540 30.300 -0.171 0.000 1.219 170 R HN 0.487 nan 8.270 nan 0.000 0.474 171 V N 1.246 121.022 119.914 -0.230 0.000 2.612 171 V HA 0.399 4.519 4.120 0.000 0.000 0.301 171 V C -0.381 175.635 176.094 -0.130 0.000 1.046 171 V CA -0.744 61.444 62.300 -0.188 0.000 0.946 171 V CB 1.601 33.231 31.823 -0.321 0.000 1.003 171 V HN 0.682 nan 8.190 nan 0.000 0.459 172 K N 3.011 123.457 120.400 0.077 0.000 2.502 172 K HA 0.287 4.607 4.320 0.000 0.000 0.254 172 K C -0.944 175.902 176.600 0.409 0.000 0.947 172 K CA -0.554 55.848 56.287 0.191 0.000 0.834 172 K CB 1.010 33.467 32.500 -0.071 0.000 1.112 172 K HN 0.682 nan 8.250 nan 0.000 0.427 173 W N 7.922 129.478 121.300 0.427 0.000 2.443 173 W HA 0.058 4.718 4.660 0.000 0.000 0.335 173 W C -2.030 174.553 176.519 0.106 0.000 1.382 173 W CA -0.821 56.694 57.345 0.284 0.000 1.305 173 W CB 0.943 30.519 29.460 0.195 0.000 1.283 173 W HN 0.581 nan 8.180 nan 0.000 0.567 174 P HA 0.114 nan 4.420 nan 0.000 0.302 174 P C -0.519 176.628 177.300 -0.255 0.000 1.455 174 P CA 0.218 62.901 63.100 -0.696 0.000 1.200 174 P CB 0.575 31.561 31.700 -1.190 0.000 1.586 175 N N -1.003 117.632 118.700 -0.109 0.000 2.361 175 N HA 0.126 4.866 4.740 0.000 0.000 0.253 175 N C -0.926 174.602 175.510 0.029 0.000 1.413 175 N CA -0.223 52.794 53.050 -0.055 0.000 0.821 175 N CB 0.014 38.431 38.487 -0.117 0.000 1.380 175 N HN -0.209 nan 8.380 nan 0.000 0.493 176 D N 0.321 120.787 120.400 0.110 0.000 2.523 176 D HA 0.490 5.130 4.640 0.000 0.000 0.236 176 D C -0.385 176.039 176.300 0.206 0.000 1.094 176 D CA -0.330 53.770 54.000 0.168 0.000 0.942 176 D CB 2.133 43.129 40.800 0.326 0.000 1.447 176 D HN -0.042 nan 8.370 nan 0.000 0.479 177 L N 0.683 122.012 121.223 0.176 0.000 2.334 177 L HA 0.490 4.830 4.340 0.000 0.000 0.272 177 L C -1.059 175.973 176.870 0.271 0.000 1.020 177 L CA -0.739 54.191 54.840 0.151 0.000 0.812 177 L CB 0.942 43.021 42.059 0.034 0.000 1.264 177 L HN 0.251 nan 8.230 nan 0.000 0.439 178 Y N 1.934 122.196 120.300 -0.063 0.000 2.512 178 Y HA 0.633 5.183 4.550 0.000 0.000 0.348 178 Y C -0.909 174.939 175.900 -0.086 0.000 0.990 178 Y CA -0.882 57.177 58.100 -0.068 0.000 1.033 178 Y CB 2.204 40.601 38.460 -0.104 0.000 1.259 178 Y HN 0.243 nan 8.280 nan 0.000 0.461 179 L N 3.374 124.569 121.223 -0.047 0.000 2.439 179 L HA 0.394 4.734 4.340 0.000 0.000 0.270 179 L C -0.506 176.334 176.870 -0.050 0.000 0.972 179 L CA -0.623 54.187 54.840 -0.049 0.000 0.836 179 L CB 1.688 43.705 42.059 -0.071 0.000 1.255 179 L HN 0.822 nan 8.230 nan 0.000 0.404 180 Q N 2.811 122.599 119.800 -0.021 0.000 2.435 180 Q HA -0.255 4.085 4.340 0.000 0.000 0.286 180 Q C -0.313 175.699 176.000 0.020 0.000 1.229 180 Q CA 0.958 56.755 55.803 -0.011 0.000 0.884 180 Q CB -1.172 27.553 28.738 -0.020 0.000 1.245 180 Q HN 0.774 nan 8.270 nan 0.000 0.488 181 D N -1.581 118.874 120.400 0.091 0.000 2.907 181 D HA -0.169 4.471 4.640 0.000 0.000 0.226 181 D C -0.325 176.069 176.300 0.156 0.000 1.141 181 D CA 1.225 55.369 54.000 0.240 0.000 0.779 181 D CB -0.235 40.656 40.800 0.151 0.000 1.095 181 D HN 0.455 nan 8.370 nan 0.000 0.430 182 R N 0.205 120.609 120.500 -0.160 0.000 2.807 182 R HA 0.407 4.747 4.340 0.000 0.000 0.276 182 R C 0.353 176.105 176.300 -0.913 0.000 0.979 182 R CA -0.875 54.992 56.100 -0.388 0.000 0.928 182 R CB 2.144 32.329 30.300 -0.192 0.000 1.191 182 R HN -0.066 nan 8.270 nan 0.000 0.471 183 K N 2.199 122.132 120.400 -0.778 0.000 2.379 183 K HA 0.058 4.378 4.320 0.000 0.000 0.284 183 K C 0.382 176.769 176.600 -0.356 0.000 1.044 183 K CA 0.025 55.881 56.287 -0.719 0.000 0.974 183 K CB 0.664 32.941 32.500 -0.371 0.000 0.962 183 K HN 0.483 nan 8.250 nan 0.000 0.474 184 L N 3.590 124.651 121.223 -0.269 0.000 2.653 184 L HA 0.454 4.794 4.340 0.000 0.000 0.230 184 L C -0.345 176.464 176.870 -0.101 0.000 1.055 184 L CA 0.521 55.267 54.840 -0.155 0.000 0.880 184 L CB 0.812 42.793 42.059 -0.129 0.000 1.195 184 L HN 0.695 nan 8.230 nan 0.000 0.492 185 A N -1.153 121.627 122.820 -0.067 0.000 2.593 185 A HA 0.823 5.143 4.320 0.000 0.000 0.290 185 A C -0.745 176.836 177.584 -0.004 0.000 1.126 185 A CA -0.140 51.873 52.037 -0.041 0.000 0.695 185 A CB 1.141 20.116 19.000 -0.042 0.000 1.290 185 A HN 0.182 nan 8.150 nan 0.000 0.414 186 G N 0.232 109.031 108.800 -0.002 0.000 2.733 186 G HA2 0.574 4.534 3.960 0.000 0.000 0.289 186 G HA3 0.574 4.534 3.960 0.000 0.000 0.289 186 G C -1.101 173.800 174.900 0.001 0.000 1.473 186 G CA -0.360 44.747 45.100 0.011 0.000 1.123 186 G HN 0.548 nan 8.290 nan 0.000 0.544 187 I N 1.026 121.589 120.570 -0.011 0.000 2.713 187 I HA 0.617 4.787 4.170 0.000 0.000 0.300 187 I C -0.160 175.937 176.117 -0.033 0.000 1.009 187 I CA -0.868 60.414 61.300 -0.030 0.000 1.305 187 I CB 1.820 39.787 38.000 -0.054 0.000 1.430 187 I HN 0.377 nan 8.210 nan 0.000 0.546 188 L N 5.480 126.683 121.223 -0.034 0.000 2.528 188 L HA 0.617 4.957 4.340 0.000 0.000 0.267 188 L C -1.312 175.537 176.870 -0.034 0.000 0.961 188 L CA -0.235 54.585 54.840 -0.033 0.000 0.866 188 L CB 1.562 43.609 42.059 -0.020 0.000 1.248 188 L HN 0.320 nan 8.230 nan 0.000 0.404 189 V N 3.778 123.665 119.914 -0.046 0.000 2.630 189 V HA 0.630 4.750 4.120 0.000 0.000 0.305 189 V C -0.442 175.643 176.094 -0.016 0.000 1.046 189 V CA -0.582 61.696 62.300 -0.036 0.000 0.934 189 V CB 1.938 33.724 31.823 -0.061 0.000 1.003 189 V HN 0.759 nan 8.190 nan 0.000 0.451 190 E N 3.668 123.872 120.200 0.006 0.000 2.265 190 E HA 0.413 4.763 4.350 0.000 0.000 0.262 190 E C -1.680 174.942 176.600 0.037 0.000 0.889 190 E CA -0.822 55.590 56.400 0.020 0.000 0.789 190 E CB 2.227 31.946 29.700 0.032 0.000 1.221 190 E HN 0.270 nan 8.360 nan 0.000 0.414 191 L N 1.519 122.761 121.223 0.031 0.000 2.421 191 L HA 0.521 4.861 4.340 0.000 0.000 0.263 191 L C 0.538 177.439 176.870 0.051 0.000 1.122 191 L CA -0.215 54.651 54.840 0.043 0.000 0.804 191 L CB 0.865 42.944 42.059 0.033 0.000 1.150 191 L HN 0.462 nan 8.230 nan 0.000 0.457 192 T N 0.794 115.387 114.554 0.064 0.000 2.937 192 T HA 0.582 4.933 4.350 0.000 0.000 0.297 192 T C 0.300 175.034 174.700 0.055 0.000 0.991 192 T CA -0.549 61.589 62.100 0.063 0.000 0.990 192 T CB 1.728 70.650 68.868 0.090 0.000 0.991 192 T HN 0.840 nan 8.240 nan 0.000 0.440 199 A N 1.832 124.679 122.820 0.045 0.000 2.303 199 A HA 0.774 5.094 4.320 0.000 0.000 0.317 199 A C -0.095 177.524 177.584 0.058 0.000 1.149 199 A CA -0.337 51.733 52.037 0.056 0.000 0.822 199 A CB 0.728 19.765 19.000 0.062 0.000 1.131 199 A HN 0.807 nan 8.150 nan 0.000 0.493 200 Q N 0.913 120.766 119.800 0.089 0.000 2.357 200 Q HA 0.551 4.891 4.340 0.000 0.000 0.266 200 Q C -1.360 174.720 176.000 0.133 0.000 1.021 200 Q CA -0.101 55.788 55.803 0.143 0.000 0.784 200 Q CB 1.511 30.419 28.738 0.284 0.000 1.243 200 Q HN 0.694 nan 8.270 nan 0.000 0.465 201 I N 1.108 121.705 120.570 0.044 0.000 2.797 201 I HA 0.528 4.698 4.170 0.000 0.000 0.307 201 I C -0.661 175.539 176.117 0.139 0.000 1.033 201 I CA -1.029 60.318 61.300 0.080 0.000 1.071 201 I CB 1.977 40.003 38.000 0.043 0.000 1.255 201 I HN 0.192 nan 8.210 nan 0.000 0.445 202 V N 4.963 124.963 119.914 0.143 0.000 2.447 202 V HA 0.469 4.589 4.120 0.000 0.000 0.292 202 V C -0.332 175.815 176.094 0.088 0.000 1.021 202 V CA -0.374 62.030 62.300 0.174 0.000 0.850 202 V CB 1.444 33.373 31.823 0.177 0.000 1.005 202 V HN 0.464 nan 8.190 nan 0.000 0.426 203 I N 4.015 124.629 120.570 0.073 0.000 2.488 203 I HA 0.806 4.976 4.170 0.000 0.000 0.299 203 I C 0.767 176.901 176.117 0.029 0.000 0.984 203 I CA -0.078 61.232 61.300 0.016 0.000 1.250 203 I CB 1.698 39.681 38.000 -0.028 0.000 1.389 203 I HN 0.671 nan 8.210 nan 0.000 0.488 204 G N 3.477 112.282 108.800 0.009 0.000 2.753 204 G HA2 0.762 4.722 3.960 0.000 0.000 0.295 204 G HA3 0.762 4.722 3.960 0.000 0.000 0.295 204 G C -1.739 173.171 174.900 0.017 0.000 1.437 204 G CA -0.481 44.632 45.100 0.022 0.000 1.094 204 G HN 0.840 nan 8.290 nan 0.000 0.540 205 A N 0.527 123.366 122.820 0.033 0.000 2.498 205 A HA 1.003 5.323 4.320 0.000 0.000 0.298 205 A C -0.108 177.515 177.584 0.065 0.000 1.075 205 A CA -0.290 51.762 52.037 0.025 0.000 0.714 205 A CB 2.127 21.121 19.000 -0.011 0.000 1.299 205 A HN 1.854 nan 8.150 nan 0.000 0.407 206 G N 0.366 109.191 108.800 0.043 0.000 2.643 206 G HA2 0.606 4.566 3.960 0.000 0.000 0.305 206 G HA3 0.606 4.566 3.960 0.000 0.000 0.305 206 G C -1.007 173.821 174.900 -0.120 0.000 1.387 206 G CA -0.371 44.720 45.100 -0.015 0.000 0.982 206 G HN 0.651 nan 8.290 nan 0.000 0.501 207 I N 1.314 121.748 120.570 -0.227 0.000 2.603 207 I HA 0.308 4.478 4.170 0.000 0.000 0.300 207 I C -0.843 175.154 176.117 -0.200 0.000 1.017 207 I CA -1.332 59.865 61.300 -0.172 0.000 1.098 207 I CB 2.480 40.388 38.000 -0.154 0.000 1.279 207 I HN 0.273 nan 8.210 nan 0.000 0.437 208 N N 6.247 124.862 118.700 -0.142 0.000 2.469 208 N HA 0.235 4.975 4.740 0.000 0.000 0.239 208 N C 0.401 175.844 175.510 -0.112 0.000 1.053 208 N CA -0.424 52.551 53.050 -0.126 0.000 0.937 208 N CB 1.306 39.734 38.487 -0.098 0.000 1.163 208 N HN 0.533 nan 8.380 nan 0.000 0.509 209 M N 0.490 120.016 119.600 -0.124 0.000 2.191 209 M HA 0.201 4.681 4.480 0.000 0.000 0.262 209 M C 0.727 176.984 176.300 -0.071 0.000 1.083 209 M CA 0.813 56.051 55.300 -0.102 0.000 1.154 209 M CB -0.711 31.817 32.600 -0.120 0.000 1.344 209 M HN 0.473 nan 8.290 nan 0.000 0.431 210 A N -1.170 121.612 122.820 -0.063 0.000 2.606 210 A HA 0.856 5.176 4.320 0.000 0.000 0.293 210 A C -0.750 176.819 177.584 -0.024 0.000 1.082 210 A CA 0.065 52.080 52.037 -0.037 0.000 0.685 210 A CB 1.263 20.247 19.000 -0.026 0.000 1.284 210 A HN 0.374 nan 8.150 nan 0.000 0.408 224 I N 2.829 123.350 120.570 -0.082 0.000 8.549 224 I HA -0.118 4.052 4.170 0.000 0.000 0.126 224 I C 0.186 176.250 176.117 -0.089 0.000 1.858 224 I CA 2.159 63.404 61.300 -0.091 0.000 2.038 224 I CB -0.224 37.706 38.000 -0.116 0.000 3.851 224 I HN 1.333 nan 8.210 nan 0.000 0.169 225 T N 5.051 119.563 114.554 -0.070 0.000 2.909 225 T HA 0.616 4.966 4.350 0.000 0.000 0.299 225 T C 1.112 175.776 174.700 -0.061 0.000 1.073 225 T CA -0.959 61.101 62.100 -0.067 0.000 0.999 225 T CB 2.195 71.031 68.868 -0.054 0.000 1.098 225 T HN 0.475 nan 8.240 nan 0.000 0.477 226 L N 0.968 122.153 121.223 -0.064 0.000 2.013 226 L HA -0.189 4.151 4.340 0.000 0.000 0.212 226 L C 3.098 179.941 176.870 -0.044 0.000 1.073 226 L CA 1.974 56.781 54.840 -0.055 0.000 0.753 226 L CB -0.520 41.505 42.059 -0.058 0.000 0.890 226 L HN 0.898 nan 8.230 nan 0.000 0.432 227 Q N 0.549 120.325 119.800 -0.041 0.000 1.985 227 Q HA -0.342 3.998 4.340 0.000 0.000 0.207 227 Q C 2.052 178.035 176.000 -0.027 0.000 0.996 227 Q CA 2.466 58.250 55.803 -0.031 0.000 0.851 227 Q CB -0.253 28.469 28.738 -0.027 0.000 0.921 227 Q HN 0.470 nan 8.270 nan 0.000 0.418 228 E N -0.619 119.564 120.200 -0.029 0.000 2.279 228 E HA -0.229 4.121 4.350 0.000 0.000 0.205 228 E C 0.560 177.144 176.600 -0.027 0.000 1.028 228 E CA 1.338 57.723 56.400 -0.026 0.000 0.830 228 E CB -0.183 29.498 29.700 -0.032 0.000 0.736 228 E HN 0.441 nan 8.360 nan 0.000 0.478 229 A N -0.479 122.322 122.820 -0.031 0.000 2.610 229 A HA 0.470 4.790 4.320 0.000 0.000 0.286 229 A C 1.265 178.833 177.584 -0.026 0.000 1.306 229 A CA 0.400 52.419 52.037 -0.030 0.000 0.942 229 A CB -0.284 18.694 19.000 -0.037 0.000 1.112 229 A HN 0.424 nan 8.150 nan 0.000 0.527 230 G N -0.439 108.347 108.800 -0.023 0.000 2.180 230 G HA2 -0.268 3.692 3.960 0.000 0.000 0.263 230 G HA3 -0.268 3.692 3.960 0.000 0.000 0.263 230 G C -0.041 174.846 174.900 -0.021 0.000 0.989 230 G CA 0.882 45.970 45.100 -0.019 0.000 0.692 230 G HN 0.529 nan 8.290 nan 0.000 0.526 231 I N 0.727 121.282 120.570 -0.026 0.000 2.359 231 I HA 0.368 4.538 4.170 0.000 0.000 0.294 231 I C -0.098 176.002 176.117 -0.029 0.000 0.987 231 I CA -0.874 60.409 61.300 -0.028 0.000 1.225 231 I CB 1.624 39.604 38.000 -0.033 0.000 1.366 231 I HN 0.002 nan 8.210 nan 0.000 0.466 232 N N 7.692 126.377 118.700 -0.025 0.000 2.841 232 N HA 0.359 5.100 4.740 0.000 0.000 0.257 232 N C -0.830 174.665 175.510 -0.025 0.000 1.396 232 N CA -0.365 52.670 53.050 -0.024 0.000 0.823 232 N CB 1.049 39.525 38.487 -0.018 0.000 1.162 232 N HN 0.423 nan 8.380 nan 0.000 0.503 233 L N 0.128 121.332 121.223 -0.032 0.000 2.436 233 L HA 0.213 4.553 4.340 0.000 0.000 0.265 233 L C 0.838 177.690 176.870 -0.030 0.000 1.168 233 L CA -0.535 54.286 54.840 -0.031 0.000 0.815 233 L CB 0.498 42.535 42.059 -0.037 0.000 1.109 233 L HN 0.253 nan 8.230 nan 0.000 0.462 234 D N 0.538 120.923 120.400 -0.025 0.000 2.338 234 D HA 0.066 4.706 4.640 0.000 0.000 0.255 234 D C 1.377 177.659 176.300 -0.031 0.000 1.237 234 D CA -0.371 53.615 54.000 -0.023 0.000 0.883 234 D CB 0.800 41.591 40.800 -0.016 0.000 1.087 234 D HN 0.448 nan 8.370 nan 0.000 0.485 235 R N 3.504 123.981 120.500 -0.038 0.000 2.105 235 R HA -0.195 4.145 4.340 0.000 0.000 0.239 235 R C 1.003 177.278 176.300 -0.042 0.000 1.135 235 R CA 1.068 57.138 56.100 -0.051 0.000 0.967 235 R CB -0.617 29.642 30.300 -0.069 0.000 0.861 235 R HN 0.430 nan 8.270 nan 0.000 0.442 236 N N 0.394 119.077 118.700 -0.029 0.000 2.223 236 N HA -0.101 4.639 4.740 0.000 0.000 0.185 236 N C 1.397 176.895 175.510 -0.019 0.000 1.016 236 N CA 1.824 54.861 53.050 -0.022 0.000 0.863 236 N CB -0.234 38.245 38.487 -0.013 0.000 0.983 236 N HN 0.331 nan 8.380 nan 0.000 0.429 237 T N 2.437 116.980 114.554 -0.019 0.000 2.639 237 T HA -0.065 4.285 4.350 0.000 0.000 0.261 237 T C 2.026 176.714 174.700 -0.020 0.000 1.053 237 T CA 0.373 62.464 62.100 -0.016 0.000 1.158 237 T CB -0.446 68.414 68.868 -0.014 0.000 0.863 237 T HN 0.004 nan 8.240 nan 0.000 0.413 238 L N 1.864 123.070 121.223 -0.028 0.000 1.997 238 L HA -0.166 4.174 4.340 0.000 0.000 0.216 238 L C 2.666 179.516 176.870 -0.033 0.000 1.074 238 L CA 2.272 57.092 54.840 -0.034 0.000 0.763 238 L CB -1.567 40.463 42.059 -0.048 0.000 0.890 238 L HN 0.299 nan 8.230 nan 0.000 0.434 239 A N -0.622 122.176 122.820 -0.037 0.000 1.870 239 A HA -0.304 4.017 4.320 0.000 0.000 0.219 239 A C 2.472 180.045 177.584 -0.018 0.000 1.224 239 A CA 3.204 55.221 52.037 -0.032 0.000 0.650 239 A CB -1.502 17.478 19.000 -0.034 0.000 0.836 239 A HN 0.657 nan 8.150 nan 0.000 0.454 240 A N -1.336 121.476 122.820 -0.012 0.000 1.892 240 A HA -0.219 4.101 4.320 0.000 0.000 0.218 240 A C 2.334 179.919 177.584 0.002 0.000 1.188 240 A CA 2.284 54.320 52.037 -0.002 0.000 0.631 240 A CB -0.575 18.424 19.000 -0.001 0.000 0.822 240 A HN 0.586 nan 8.150 nan 0.000 0.447 241 M N -0.737 118.860 119.600 -0.004 0.000 2.065 241 M HA -0.142 4.338 4.480 0.000 0.000 0.259 241 M C 2.141 178.440 176.300 -0.002 0.000 1.069 241 M CA 1.706 57.005 55.300 -0.002 0.000 1.110 241 M CB -0.469 32.127 32.600 -0.007 0.000 1.328 241 M HN 0.453 nan 8.290 nan 0.000 0.405 242 L N -0.136 121.081 121.223 -0.010 0.000 2.013 242 L HA -0.289 4.051 4.340 0.000 0.000 0.212 242 L C 2.342 179.211 176.870 -0.002 0.000 1.073 242 L CA 1.199 56.031 54.840 -0.013 0.000 0.753 242 L CB -1.007 41.039 42.059 -0.021 0.000 0.890 242 L HN 0.372 nan 8.230 nan 0.000 0.432 243 I N -0.488 120.087 120.570 0.008 0.000 2.208 243 I HA -0.294 3.876 4.170 0.000 0.000 0.245 243 I C 2.761 178.900 176.117 0.036 0.000 1.097 243 I CA 1.478 62.794 61.300 0.026 0.000 1.363 243 I CB -0.850 37.169 38.000 0.033 0.000 1.051 243 I HN 0.361 nan 8.210 nan 0.000 0.413 244 R N 1.083 121.600 120.500 0.029 0.000 2.075 244 R HA -0.171 4.169 4.340 0.000 0.000 0.230 244 R C 2.335 178.655 176.300 0.033 0.000 1.140 244 R CA 1.533 57.654 56.100 0.035 0.000 0.928 244 R CB -0.064 30.252 30.300 0.027 0.000 0.834 244 R HN 0.257 nan 8.270 nan 0.000 0.429 245 E N 0.683 120.894 120.200 0.020 0.000 2.130 245 E HA -0.229 4.121 4.350 0.000 0.000 0.196 245 E C 2.097 178.700 176.600 0.004 0.000 0.998 245 E CA 1.136 57.545 56.400 0.016 0.000 0.806 245 E CB -0.171 29.534 29.700 0.008 0.000 0.738 245 E HN 0.428 nan 8.360 nan 0.000 0.459 246 L N 0.270 121.485 121.223 -0.014 0.000 2.005 246 L HA -0.177 4.163 4.340 0.000 0.000 0.207 246 L C 2.618 179.441 176.870 -0.079 0.000 1.072 246 L CA 1.332 56.136 54.840 -0.060 0.000 0.744 246 L CB -0.366 41.660 42.059 -0.055 0.000 0.895 246 L HN 0.075 nan 8.230 nan 0.000 0.433 247 R N 0.080 120.586 120.500 0.009 0.000 2.127 247 R HA -0.146 4.195 4.340 0.000 0.000 0.238 247 R C 2.303 178.643 176.300 0.066 0.000 1.134 247 R CA 1.215 57.364 56.100 0.081 0.000 0.975 247 R CB -0.599 29.825 30.300 0.207 0.000 0.865 247 R HN 0.361 nan 8.270 nan 0.000 0.447 248 A N 1.785 124.636 122.820 0.051 0.000 1.855 248 A HA -0.039 4.281 4.320 0.000 0.000 0.215 248 A C 2.496 180.117 177.584 0.061 0.000 1.191 248 A CA 1.440 53.518 52.037 0.067 0.000 0.613 248 A CB -0.853 18.181 19.000 0.058 0.000 0.829 248 A HN 0.362 nan 8.150 nan 0.000 0.442 249 A N -0.106 122.737 122.820 0.039 0.000 1.873 249 A HA -0.145 4.175 4.320 0.000 0.000 0.218 249 A C 2.165 179.753 177.584 0.007 0.000 1.193 249 A CA 1.709 53.799 52.037 0.088 0.000 0.629 249 A CB -0.770 18.232 19.000 0.004 0.000 0.826 249 A HN 0.473 nan 8.150 nan 0.000 0.447 250 L N -0.153 120.926 121.223 -0.240 0.000 2.131 250 L HA -0.217 4.123 4.340 0.000 0.000 0.210 250 L C 2.748 179.507 176.870 -0.184 0.000 1.092 250 L CA 1.997 56.528 54.840 -0.515 0.000 0.759 250 L CB -0.750 40.412 42.059 -1.494 0.000 0.903 250 L HN 0.803 nan 8.230 nan 0.000 0.435 251 E N 0.194 120.417 120.200 0.038 0.000 2.216 251 E HA -0.214 4.136 4.350 0.000 0.000 0.192 251 E C 2.242 178.949 176.600 0.177 0.000 0.988 251 E CA 0.460 57.002 56.400 0.236 0.000 0.834 251 E CB -0.184 29.701 29.700 0.309 0.000 0.772 251 E HN 0.306 nan 8.360 nan 0.000 0.479 252 L N 0.814 122.134 121.223 0.162 0.000 1.994 252 L HA -0.071 4.269 4.340 0.000 0.000 0.208 252 L C 2.217 179.220 176.870 0.222 0.000 1.071 252 L CA 1.729 56.668 54.840 0.165 0.000 0.745 252 L CB -0.960 41.184 42.059 0.142 0.000 0.892 252 L HN 0.205 nan 8.230 nan 0.000 0.431 253 F N 0.985 121.010 119.950 0.125 0.000 2.126 253 F HA -0.239 4.288 4.527 0.000 0.000 0.299 253 F C 2.529 178.364 175.800 0.058 0.000 1.096 253 F CA 2.045 60.111 58.000 0.109 0.000 1.255 253 F CB -0.443 38.540 39.000 -0.030 0.000 0.997 253 F HN 0.391 nan 8.300 nan 0.000 0.479 254 E N -0.036 120.234 120.200 0.118 0.000 2.333 254 E HA -0.269 4.081 4.350 0.000 0.000 0.200 254 E C 1.264 177.846 176.600 -0.030 0.000 1.010 254 E CA 1.392 57.831 56.400 0.065 0.000 0.841 254 E CB -0.154 29.723 29.700 0.296 0.000 0.757 254 E HN 0.747 nan 8.360 nan 0.000 0.508 255 Q N -1.470 118.314 119.800 -0.026 0.000 2.084 255 Q HA 0.193 4.533 4.340 0.000 0.000 0.230 255 Q C 0.250 176.217 176.000 -0.055 0.000 0.806 255 Q CA -0.187 55.595 55.803 -0.034 0.000 1.083 255 Q CB 0.934 29.681 28.738 0.014 0.000 1.208 255 Q HN 0.088 nan 8.270 nan 0.000 0.462 256 E N -0.015 120.126 120.200 -0.098 0.000 2.534 256 E HA 0.119 4.469 4.350 0.000 0.000 0.179 256 E C 0.569 177.119 176.600 -0.084 0.000 0.916 256 E CA 0.229 56.591 56.400 -0.062 0.000 1.354 256 E CB 1.130 30.823 29.700 -0.013 0.000 1.321 256 E HN 0.443 nan 8.360 nan 0.000 0.663 257 G N 2.042 110.676 108.800 -0.277 0.000 2.602 257 G HA2 -0.381 3.579 3.960 0.000 0.000 0.306 257 G HA3 -0.381 3.579 3.960 0.000 0.000 0.306 257 G C 0.744 175.730 174.900 0.142 0.000 1.301 257 G CA 0.555 45.377 45.100 -0.462 0.000 0.974 257 G HN 0.117 nan 8.290 nan 0.000 0.547 258 L N 1.169 122.545 121.223 0.256 0.000 2.017 258 L HA 0.136 4.476 4.340 0.000 0.000 0.208 258 L C 3.530 180.603 176.870 0.338 0.000 1.073 258 L CA 3.203 58.281 54.840 0.397 0.000 0.745 258 L CB -1.223 40.984 42.059 0.247 0.000 0.894 258 L HN 1.231 nan 8.230 nan 0.000 0.432 259 A N 0.342 123.263 122.820 0.168 0.000 1.920 259 A HA -0.309 4.011 4.320 0.000 0.000 0.229 259 A C -0.082 177.542 177.584 0.068 0.000 1.516 259 A CA 2.878 54.973 52.037 0.097 0.000 0.714 259 A CB -2.512 16.512 19.000 0.041 0.000 0.845 259 A HN 0.404 nan 8.150 nan 0.000 0.493 260 P HA -0.089 nan 4.420 nan 0.000 0.229 260 P C 0.298 177.397 177.300 -0.334 0.000 1.150 260 P CA 1.206 64.175 63.100 -0.217 0.000 0.765 260 P CB -0.193 31.275 31.700 -0.387 0.000 0.783 261 Y N -2.613 117.750 120.300 0.105 0.000 2.445 261 Y HA 0.207 4.757 4.550 0.000 0.000 0.247 261 Y C 2.021 178.016 175.900 0.159 0.000 1.129 261 Y CA -0.271 57.905 58.100 0.126 0.000 1.251 261 Y CB -0.685 37.861 38.460 0.143 0.000 1.176 261 Y HN -0.235 nan 8.280 nan 0.000 0.522 262 L N 0.051 121.436 121.223 0.270 0.000 2.051 262 L HA -0.332 4.008 4.340 0.000 0.000 0.214 262 L C 2.475 179.485 176.870 0.233 0.000 1.076 262 L CA 2.209 57.188 54.840 0.231 0.000 0.758 262 L CB -0.806 41.342 42.059 0.148 0.000 0.890 262 L HN 0.277 nan 8.230 nan 0.000 0.433 263 S N -0.741 115.056 115.700 0.162 0.000 2.402 263 S HA -0.143 4.327 4.470 0.000 0.000 0.229 263 S C 2.042 176.721 174.600 0.132 0.000 1.021 263 S CA 0.700 58.975 58.200 0.125 0.000 0.974 263 S CB -0.361 62.882 63.200 0.071 0.000 0.800 263 S HN 0.349 nan 8.310 nan 0.000 0.484 264 R N 0.203 120.803 120.500 0.166 0.000 2.075 264 R HA 0.031 4.371 4.340 0.000 0.000 0.232 264 R C 2.168 178.549 176.300 0.135 0.000 1.126 264 R CA 1.407 57.593 56.100 0.143 0.000 0.963 264 R CB -0.407 30.017 30.300 0.207 0.000 0.858 264 R HN 0.642 nan 8.270 nan 0.000 0.435 265 W N 2.308 123.669 121.300 0.103 0.000 2.315 265 W HA -0.282 4.378 4.660 0.000 0.000 0.323 265 W C 1.658 178.213 176.519 0.060 0.000 1.233 265 W CA 1.990 59.385 57.345 0.083 0.000 1.267 265 W CB -0.396 29.124 29.460 0.100 0.000 1.160 265 W HN 0.190 nan 8.180 nan 0.000 0.474 266 E N 0.724 121.051 120.200 0.211 0.000 2.114 266 E HA -0.306 4.044 4.350 0.000 0.000 0.199 266 E C 2.400 178.944 176.600 -0.094 0.000 1.008 266 E CA 3.025 59.486 56.400 0.102 0.000 0.810 266 E CB -0.293 29.511 29.700 0.174 0.000 0.739 266 E HN 0.219 nan 8.360 nan 0.000 0.456 267 K N 0.645 120.999 120.400 -0.078 0.000 2.211 267 K HA -0.038 4.282 4.320 0.000 0.000 0.203 267 K C 1.967 178.462 176.600 -0.174 0.000 1.050 267 K CA 1.438 57.668 56.287 -0.096 0.000 0.945 267 K CB -0.572 31.898 32.500 -0.049 0.000 0.732 267 K HN 0.225 nan 8.250 nan 0.000 0.451 268 L N 0.197 121.245 121.223 -0.290 0.000 2.416 268 L HA 0.080 4.420 4.340 0.000 0.000 0.216 268 L C 0.686 177.243 176.870 -0.523 0.000 1.098 268 L CA -0.298 54.323 54.840 -0.365 0.000 0.840 268 L CB -0.094 41.736 42.059 -0.380 0.000 0.981 268 L HN 0.351 nan 8.230 nan 0.000 0.462 269 D N 1.352 121.322 120.400 -0.716 0.000 2.570 269 D HA -0.165 4.475 4.640 0.000 0.000 0.243 269 D C 0.840 176.937 176.300 -0.338 0.000 1.171 269 D CA 0.482 54.110 54.000 -0.621 0.000 0.879 269 D CB 0.765 41.327 40.800 -0.396 0.000 1.143 269 D HN 0.047 nan 8.370 nan 0.000 0.511 270 N N 2.827 121.304 118.700 -0.371 0.000 2.270 270 N HA -0.099 4.641 4.740 0.000 0.000 0.181 270 N C 1.041 176.175 175.510 -0.628 0.000 1.016 270 N CA 1.036 53.770 53.050 -0.528 0.000 0.870 270 N CB 0.009 38.041 38.487 -0.758 0.000 0.979 270 N HN 0.316 nan 8.380 nan 0.000 0.431 271 F N 0.210 120.121 119.950 -0.065 0.000 2.731 271 F HA 0.369 4.896 4.527 0.000 0.000 0.298 271 F C 0.649 176.446 175.800 -0.006 0.000 1.106 271 F CA -0.698 57.281 58.000 -0.034 0.000 1.329 271 F CB -0.220 38.766 39.000 -0.024 0.000 1.100 271 F HN -0.069 nan 8.300 nan 0.000 0.592 272 I N 1.955 122.614 120.570 0.148 0.000 2.989 272 I HA -0.276 3.894 4.170 0.000 0.000 0.311 272 I C 0.566 176.734 176.117 0.085 0.000 1.221 272 I CA 0.744 62.119 61.300 0.125 0.000 1.449 272 I CB 0.155 38.211 38.000 0.094 0.000 1.325 272 I HN 0.383 nan 8.210 nan 0.000 0.557 273 N N 3.717 122.465 118.700 0.081 0.000 2.828 273 N HA -0.218 4.522 4.740 0.000 0.000 0.248 273 N C -0.449 175.102 175.510 0.068 0.000 1.044 273 N CA 1.110 54.196 53.050 0.059 0.000 0.851 273 N CB -0.951 37.561 38.487 0.041 0.000 1.136 273 N HN 0.651 nan 8.380 nan 0.000 0.572 274 R N 0.200 120.764 120.500 0.106 0.000 2.758 274 R HA 0.538 4.878 4.340 0.000 0.000 0.265 274 R C -2.430 173.929 176.300 0.098 0.000 1.016 274 R CA -1.645 54.528 56.100 0.122 0.000 1.040 274 R CB 0.970 31.393 30.300 0.206 0.000 1.152 274 R HN -0.097 nan 8.270 nan 0.000 0.503 275 P HA 0.064 nan 4.420 nan 0.000 0.287 275 P C -0.569 176.737 177.300 0.010 0.000 1.294 275 P CA -0.238 62.892 63.100 0.051 0.000 0.776 275 P CB 1.055 32.794 31.700 0.065 0.000 0.889 276 V N 0.926 120.797 119.914 -0.073 0.000 3.240 276 V HA 0.741 4.861 4.120 0.000 0.000 0.306 276 V C -0.428 175.521 176.094 -0.242 0.000 1.227 276 V CA -0.949 61.226 62.300 -0.209 0.000 1.047 276 V CB 2.207 33.810 31.823 -0.368 0.000 1.203 276 V HN 0.397 nan 8.190 nan 0.000 0.471 277 K N 1.163 121.339 120.400 -0.374 0.000 2.601 277 K HA 0.547 4.867 4.320 0.000 0.000 0.249 277 K C -2.237 174.067 176.600 -0.495 0.000 0.966 277 K CA -0.530 55.405 56.287 -0.586 0.000 0.827 277 K CB 2.043 34.147 32.500 -0.660 0.000 1.178 277 K HN 0.821 nan 8.250 nan 0.000 0.437 278 L N 5.433 126.343 121.223 -0.521 0.000 2.307 278 L HA 0.533 4.873 4.340 0.000 0.000 0.284 278 L C -1.283 175.368 176.870 -0.365 0.000 1.023 278 L CA -0.319 54.272 54.840 -0.414 0.000 0.810 278 L CB 1.077 42.827 42.059 -0.515 0.000 1.231 278 L HN 0.591 nan 8.230 nan 0.000 0.423 279 I N 6.929 127.356 120.570 -0.237 0.000 2.371 279 I HA 0.347 4.517 4.170 0.000 0.000 0.282 279 I C -0.448 175.613 176.117 -0.093 0.000 1.031 279 I CA -0.153 61.048 61.300 -0.165 0.000 1.180 279 I CB 0.843 38.766 38.000 -0.128 0.000 1.336 279 I HN 0.438 nan 8.210 nan 0.000 0.467 280 I N 4.001 124.528 120.570 -0.072 0.000 2.359 280 I HA 0.709 4.879 4.170 0.000 0.000 0.284 280 I C 0.995 177.120 176.117 0.015 0.000 1.018 280 I CA -0.470 60.832 61.300 0.004 0.000 1.173 280 I CB 0.577 38.618 38.000 0.069 0.000 1.326 280 I HN 0.789 nan 8.210 nan 0.000 0.462 281 G N 6.178 114.986 108.800 0.013 0.000 2.601 281 G HA2 -0.410 3.550 3.960 0.000 0.000 0.306 281 G HA3 -0.410 3.550 3.960 0.000 0.000 0.306 281 G C 0.376 175.278 174.900 0.003 0.000 1.172 281 G CA 1.079 46.187 45.100 0.013 0.000 0.966 281 G HN 0.742 nan 8.290 nan 0.000 0.542 282 D N 1.660 122.066 120.400 0.010 0.000 2.363 282 D HA 0.283 4.924 4.640 0.000 0.000 0.214 282 D C 0.750 177.052 176.300 0.003 0.000 1.093 282 D CA 0.773 54.777 54.000 0.006 0.000 0.837 282 D CB -0.067 40.740 40.800 0.012 0.000 0.948 282 D HN 0.668 nan 8.370 nan 0.000 0.507 283 K N 0.110 120.508 120.400 -0.004 0.000 2.345 283 K HA 0.464 4.784 4.320 0.000 0.000 0.255 283 K C -0.603 175.957 176.600 -0.067 0.000 0.934 283 K CA -0.812 55.468 56.287 -0.012 0.000 0.801 283 K CB 2.206 34.715 32.500 0.016 0.000 1.137 283 K HN -0.118 nan 8.250 nan 0.000 0.424 284 E N 3.263 123.420 120.200 -0.072 0.000 2.259 284 E HA 0.307 4.657 4.350 0.000 0.000 0.281 284 E C -0.528 175.957 176.600 -0.192 0.000 1.027 284 E CA -0.482 55.807 56.400 -0.185 0.000 0.838 284 E CB 1.131 30.757 29.700 -0.123 0.000 1.066 284 E HN 0.443 nan 8.360 nan 0.000 0.401 285 I N 3.536 123.873 120.570 -0.388 0.000 2.582 285 I HA 0.341 4.511 4.170 0.000 0.000 0.292 285 I C -0.769 175.064 176.117 -0.474 0.000 1.066 285 I CA -0.749 60.375 61.300 -0.293 0.000 1.053 285 I CB 1.070 38.819 38.000 -0.419 0.000 1.241 285 I HN 0.372 nan 8.210 nan 0.000 0.421 286 F N 2.685 122.551 119.950 -0.140 0.000 2.497 286 F HA 0.888 5.415 4.527 0.000 0.000 0.331 286 F C 0.853 176.581 175.800 -0.120 0.000 1.060 286 F CA -0.417 57.508 58.000 -0.124 0.000 0.989 286 F CB 1.996 40.950 39.000 -0.077 0.000 1.245 286 F HN 0.532 nan 8.300 nan 0.000 0.486 287 G N 0.422 109.263 108.800 0.070 0.000 2.313 287 G HA2 0.444 4.405 3.960 0.000 0.000 0.296 287 G HA3 0.444 4.405 3.960 0.000 0.000 0.296 287 G C -2.131 172.767 174.900 -0.003 0.000 1.356 287 G CA -0.974 44.135 45.100 0.015 0.000 0.833 287 G HN 0.501 nan 8.290 nan 0.000 0.552 288 I N 1.091 121.662 120.570 0.002 0.000 2.359 288 I HA 0.478 4.648 4.170 0.000 0.000 0.294 288 I C 0.848 176.961 176.117 -0.007 0.000 0.987 288 I CA -0.600 60.705 61.300 0.008 0.000 1.225 288 I CB 1.957 39.972 38.000 0.026 0.000 1.366 288 I HN 0.417 nan 8.210 nan 0.000 0.466 289 S N 5.433 121.135 115.700 0.004 0.000 2.528 289 S HA 0.293 4.764 4.470 0.000 0.000 0.277 289 S C 0.542 175.162 174.600 0.033 0.000 1.297 289 S CA -0.419 57.783 58.200 0.002 0.000 1.052 289 S CB 0.269 63.502 63.200 0.056 0.000 0.917 289 S HN 0.485 nan 8.310 nan 0.000 0.492 290 R N 3.272 123.782 120.500 0.016 0.000 2.700 290 R HA 0.295 4.635 4.340 0.000 0.000 0.399 290 R C 1.194 177.524 176.300 0.050 0.000 1.115 290 R CA 0.399 56.520 56.100 0.036 0.000 1.058 290 R CB -0.254 30.060 30.300 0.023 0.000 1.389 290 R HN 1.018 nan 8.270 nan 0.000 0.582 291 G N 1.600 110.450 108.800 0.083 0.000 2.525 291 G HA2 -0.323 3.637 3.960 0.000 0.000 0.248 291 G HA3 -0.323 3.637 3.960 0.000 0.000 0.248 291 G C -0.183 174.676 174.900 -0.069 0.000 1.238 291 G CA 0.021 45.216 45.100 0.158 0.000 0.926 291 G HN 0.320 nan 8.290 nan 0.000 0.574 292 I N -1.073 119.418 120.570 -0.132 0.000 2.957 292 I HA 0.796 4.966 4.170 0.000 0.000 0.310 292 I C -0.097 175.943 176.117 -0.128 0.000 1.063 292 I CA -0.767 60.375 61.300 -0.263 0.000 1.033 292 I CB 2.107 39.810 38.000 -0.495 0.000 1.230 292 I HN 0.816 nan 8.210 nan 0.000 0.447 293 D N 2.063 122.397 120.400 -0.109 0.000 2.529 293 D HA 0.299 4.940 4.640 0.000 0.000 0.273 293 D C 0.773 177.053 176.300 -0.033 0.000 1.197 293 D CA -0.363 53.607 54.000 -0.051 0.000 1.070 293 D CB 0.537 41.311 40.800 -0.044 0.000 1.134 293 D HN 0.747 nan 8.370 nan 0.000 0.590 294 K N -0.833 119.564 120.400 -0.006 0.000 2.616 294 K HA -0.043 4.277 4.320 0.000 0.000 0.192 294 K C 1.255 177.868 176.600 0.022 0.000 1.031 294 K CA 1.068 57.365 56.287 0.017 0.000 1.004 294 K CB -0.930 31.580 32.500 0.017 0.000 0.810 294 K HN 0.548 nan 8.250 nan 0.000 0.497 295 Q N -2.225 117.581 119.800 0.010 0.000 2.140 295 Q HA 0.237 4.577 4.340 0.000 0.000 0.227 295 Q C 1.045 177.066 176.000 0.035 0.000 0.798 295 Q CA 0.293 56.113 55.803 0.027 0.000 0.987 295 Q CB 1.102 29.852 28.738 0.021 0.000 1.161 295 Q HN 0.628 nan 8.270 nan 0.000 0.480 296 G N 1.610 110.410 108.800 0.000 0.000 2.199 296 G HA2 -0.305 3.656 3.960 0.000 0.000 0.254 296 G HA3 -0.305 3.656 3.960 0.000 0.000 0.254 296 G C 0.451 175.435 174.900 0.139 0.000 0.982 296 G CA 0.018 45.124 45.100 0.010 0.000 0.632 296 G HN 0.615 nan 8.290 nan 0.000 0.529 297 A N 0.222 123.076 122.820 0.056 0.000 2.462 297 A HA 0.655 4.975 4.320 0.000 0.000 0.243 297 A C 0.633 178.076 177.584 -0.236 0.000 1.076 297 A CA 0.450 52.510 52.037 0.039 0.000 0.773 297 A CB 0.576 19.581 19.000 0.008 0.000 1.010 297 A HN 1.702 nan 8.150 nan 0.000 0.493 298 L N 2.332 123.183 121.223 -0.621 0.000 2.464 298 L HA 0.453 4.793 4.340 0.000 0.000 0.264 298 L C -0.412 176.261 176.870 -0.328 0.000 1.199 298 L CA 0.347 54.640 54.840 -0.912 0.000 0.818 298 L CB 0.313 41.322 42.059 -1.749 0.000 1.102 298 L HN 0.565 nan 8.230 nan 0.000 0.473 299 L N 5.312 126.398 121.223 -0.228 0.000 2.316 299 L HA 0.412 4.752 4.340 0.000 0.000 0.280 299 L C -0.997 175.863 176.870 -0.017 0.000 1.006 299 L CA -0.642 54.167 54.840 -0.051 0.000 0.836 299 L CB 1.516 43.549 42.059 -0.044 0.000 1.221 299 L HN 0.507 nan 8.230 nan 0.000 0.418 300 L N 3.959 125.254 121.223 0.120 0.000 2.296 300 L HA 0.368 4.708 4.340 0.000 0.000 0.286 300 L C 0.004 176.941 176.870 0.111 0.000 1.023 300 L CA 0.089 54.956 54.840 0.045 0.000 0.812 300 L CB 1.612 43.587 42.059 -0.141 0.000 1.223 300 L HN 0.512 nan 8.230 nan 0.000 0.421 301 E N 4.631 124.860 120.200 0.048 0.000 2.081 301 E HA 0.311 4.661 4.350 0.000 0.000 0.276 301 E C -1.430 175.204 176.600 0.056 0.000 0.950 301 E CA -0.508 55.925 56.400 0.056 0.000 0.776 301 E CB 0.731 30.452 29.700 0.035 0.000 1.094 301 E HN 0.695 nan 8.360 nan 0.000 0.402 302 Q N 3.844 123.691 119.800 0.079 0.000 2.330 302 Q HA 0.307 4.647 4.340 0.000 0.000 0.269 302 Q C -0.951 175.084 176.000 0.059 0.000 1.022 302 Q CA -0.985 54.862 55.803 0.073 0.000 0.796 302 Q CB 1.440 30.233 28.738 0.092 0.000 1.271 302 Q HN 0.386 nan 8.270 nan 0.000 0.450 303 D N 2.209 122.635 120.400 0.044 0.000 2.735 303 D HA -0.208 4.432 4.640 0.000 0.000 0.235 303 D C 0.772 177.089 176.300 0.029 0.000 1.175 303 D CA 1.542 55.562 54.000 0.032 0.000 0.683 303 D CB -1.220 39.599 40.800 0.033 0.000 1.008 303 D HN 1.212 nan 8.370 nan 0.000 0.416 304 G N -0.250 108.566 108.800 0.026 0.000 2.187 304 G HA2 -0.317 3.643 3.960 0.000 0.000 0.261 304 G HA3 -0.317 3.643 3.960 0.000 0.000 0.261 304 G C 0.391 175.305 174.900 0.024 0.000 1.000 304 G CA 0.620 45.733 45.100 0.022 0.000 0.718 304 G HN 0.631 nan 8.290 nan 0.000 0.519 305 I N 0.215 120.806 120.570 0.034 0.000 2.509 305 I HA 0.521 4.692 4.170 0.000 0.000 0.293 305 I C 0.181 176.323 176.117 0.042 0.000 1.020 305 I CA -1.081 60.238 61.300 0.032 0.000 1.088 305 I CB 1.923 39.944 38.000 0.036 0.000 1.267 305 I HN -0.118 nan 8.210 nan 0.000 0.430 306 I N 5.996 126.582 120.570 0.027 0.000 2.378 306 I HA 0.376 4.546 4.170 0.000 0.000 0.291 306 I C -0.489 175.638 176.117 0.015 0.000 0.992 306 I CA -0.592 60.729 61.300 0.035 0.000 1.154 306 I CB 1.824 39.837 38.000 0.021 0.000 1.315 306 I HN 0.621 nan 8.210 nan 0.000 0.448 307 K N 6.850 127.273 120.400 0.038 0.000 2.477 307 K HA 0.732 5.052 4.320 0.000 0.000 0.255 307 K C -3.143 173.414 176.600 -0.072 0.000 0.952 307 K CA -1.825 54.424 56.287 -0.063 0.000 0.826 307 K CB 2.447 34.849 32.500 -0.164 0.000 1.331 307 K HN 0.085 nan 8.250 nan 0.000 0.437 308 P HA 0.310 nan 4.420 nan 0.000 0.284 308 P C -1.502 175.586 177.300 -0.353 0.000 1.258 308 P CA -0.460 62.555 63.100 -0.142 0.000 0.824 308 P CB 0.335 31.956 31.700 -0.132 0.000 1.038 309 W N 1.676 122.878 121.300 -0.164 0.000 2.781 309 W HA 0.407 5.067 4.660 0.000 0.000 0.333 309 W C 0.833 177.338 176.519 -0.024 0.000 1.047 309 W CA -0.457 56.824 57.345 -0.107 0.000 1.236 309 W CB 1.441 30.819 29.460 -0.138 0.000 1.394 309 W HN 0.133 nan 8.180 nan 0.000 0.466 310 M N 2.176 121.932 119.600 0.260 0.000 2.556 310 M HA 0.261 4.741 4.480 0.000 0.000 0.245 310 M C 0.619 177.144 176.300 0.375 0.000 1.128 310 M CA 0.503 55.969 55.300 0.276 0.000 1.069 310 M CB -0.532 32.145 32.600 0.128 0.000 1.469 310 M HN 0.612 nan 8.290 nan 0.000 0.494 311 G N -1.401 107.674 108.800 0.458 0.000 2.623 311 G HA2 0.584 4.544 3.960 0.000 0.000 0.290 311 G HA3 0.584 4.544 3.960 0.000 0.000 0.290 311 G C -0.731 174.402 174.900 0.388 0.000 1.437 311 G CA -0.006 45.313 45.100 0.366 0.000 0.798 311 G HN 0.383 nan 8.290 nan 0.000 0.488 312 G N -1.023 107.908 108.800 0.219 0.000 2.353 312 G HA2 0.447 4.407 3.960 0.000 0.000 0.615 312 G HA3 0.447 4.407 3.960 0.000 0.000 0.615 312 G C -1.084 173.888 174.900 0.120 0.000 1.280 312 G CA 0.080 45.266 45.100 0.144 0.000 1.000 312 G HN 1.122 nan 8.290 nan 0.000 0.516 313 E N -0.284 119.945 120.200 0.047 0.000 2.255 313 E HA 0.537 4.887 4.350 0.000 0.000 0.256 313 E C -0.279 176.297 176.600 -0.041 0.000 0.887 313 E CA -0.919 55.486 56.400 0.008 0.000 0.782 313 E CB 1.191 30.873 29.700 -0.030 0.000 1.214 313 E HN 0.586 nan 8.360 nan 0.000 0.417 314 I N 3.162 123.728 120.570 -0.006 0.000 2.638 314 I HA 0.245 4.415 4.170 0.000 0.000 0.286 314 I C -0.473 175.463 176.117 -0.302 0.000 1.088 314 I CA 0.640 61.844 61.300 -0.160 0.000 1.397 314 I CB 1.373 39.335 38.000 -0.062 0.000 1.414 314 I HN 0.611 nan 8.210 nan 0.000 0.566 315 S N 6.587 122.014 115.700 -0.455 0.000 2.542 315 S HA 0.313 4.783 4.470 0.000 0.000 0.276 315 S C -0.990 173.369 174.600 -0.401 0.000 1.148 315 S CA -0.716 57.249 58.200 -0.392 0.000 0.886 315 S CB 1.044 64.131 63.200 -0.189 0.000 1.109 315 S HN 0.468 nan 8.310 nan 0.000 0.458 316 L N 4.036 125.117 121.223 -0.236 0.000 2.492 316 L HA 0.594 4.934 4.340 0.000 0.000 0.280 316 L C 0.464 177.324 176.870 -0.017 0.000 1.240 316 L CA 1.171 55.997 54.840 -0.024 0.000 0.831 316 L CB 0.330 42.499 42.059 0.184 0.000 1.100 316 L HN 1.018 nan 8.230 nan 0.000 0.505 317 R N 0.000 120.524 120.500 0.041 0.000 2.786 317 R HA 0.000 4.340 4.340 0.000 0.000 0.208 317 R CA 0.000 56.148 56.100 0.080 0.000 0.921 317 R CB 0.000 30.367 30.300 0.113 0.000 0.687 317 R HN 0.000 nan 8.270 nan 0.000 0.535