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 3q2k_1_J DATA FIRST_RESID 5 DATA SEQUENCE PITDRKIRFG LVGCGRISKN HIGAIAQHGD RAELVEICDT NPEALQAAEA DATA SEQUENCE ATGARPFSSL SDMLAQGNAD ALVLATPSGL HPWQAIEVAQ AGRHVVSEKP DATA SEQUENCE MATRWEDGKR MVKACDEAGV RLFVVKQNRR NATLQLVKKA IEQGRFGRIY DATA SEQUENCE MVTVNVFWTR PQEYYDAARW RGKWEWDGGA FMNQASHYVD LLDWLVGPVE DATA SEQUENCE SVYAYTATLA RRIEAEDTGV AALRWRHGAM GSINVTMLTY PQNLEGSITI DATA SEQUENCE LGEKGTVRVG GVAVNRIDEW KFAEPHPDDD KIREANYETT SVYGFGHPLY DATA SEQUENCE YDNVINCLRG DCEPETDGRE GLQSLALLTA IYRSARDGVR IPLPLD 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.305 177.300 0.009 0.000 1.155 5 P CA 0.000 63.109 63.100 0.015 0.000 0.800 5 P CB 0.000 31.706 31.700 0.011 0.000 0.726 6 I N 1.937 122.505 120.570 -0.003 0.000 2.317 6 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 6 I C 1.070 177.182 176.117 -0.007 0.000 1.119 6 I CA -0.236 61.060 61.300 -0.006 0.000 1.228 6 I CB 0.800 38.789 38.000 -0.019 0.000 1.476 6 I HN 0.472 nan 8.210 nan 0.000 0.514 7 T N -2.279 112.275 114.554 -0.001 0.000 3.086 7 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 7 T C 0.599 175.302 174.700 0.005 0.000 1.074 7 T CA 0.078 62.180 62.100 0.002 0.000 0.988 7 T CB -0.021 68.850 68.868 0.004 0.000 0.988 7 T HN 0.254 nan 8.240 nan 0.000 0.530 8 D N 1.455 121.858 120.400 0.004 0.000 2.623 8 D HA 0.329 4.968 4.640 -0.000 0.000 0.252 8 D C 0.178 176.481 176.300 0.006 0.000 1.294 8 D CA -0.405 53.598 54.000 0.006 0.000 0.824 8 D CB 0.523 41.326 40.800 0.005 0.000 1.070 8 D HN 0.673 nan 8.370 nan 0.000 0.487 9 R N -2.305 118.198 120.500 0.006 0.000 3.139 9 R HA 0.227 4.567 4.340 -0.000 0.000 0.287 9 R C -1.358 174.947 176.300 0.007 0.000 0.978 9 R CA -1.003 55.102 56.100 0.008 0.000 0.837 9 R CB 0.633 30.935 30.300 0.004 0.000 1.330 9 R HN -0.265 nan 8.270 nan 0.000 0.527 10 K N 1.021 121.428 120.400 0.013 0.000 2.350 10 K HA 0.214 4.534 4.320 -0.000 0.000 0.279 10 K C 0.151 176.743 176.600 -0.013 0.000 1.027 10 K CA -0.577 55.721 56.287 0.017 0.000 0.969 10 K CB 0.381 32.903 32.500 0.036 0.000 0.954 10 K HN 0.269 nan 8.250 nan 0.000 0.474 11 I N 3.483 124.031 120.570 -0.037 0.000 2.826 11 I HA -0.096 4.074 4.170 -0.000 0.000 0.295 11 I C 0.794 176.809 176.117 -0.170 0.000 1.213 11 I CA 0.744 61.946 61.300 -0.163 0.000 1.436 11 I CB -0.304 37.527 38.000 -0.282 0.000 1.348 11 I HN 0.446 nan 8.210 nan 0.000 0.570 12 R N 5.958 126.333 120.500 -0.207 0.000 2.207 12 R HA 0.413 4.753 4.340 -0.000 0.000 0.334 12 R C -0.948 175.208 176.300 -0.240 0.000 1.013 12 R CA -0.445 55.583 56.100 -0.120 0.000 0.858 12 R CB 0.707 30.979 30.300 -0.046 0.000 1.094 12 R HN 0.261 nan 8.270 nan 0.000 0.457 13 F N 0.447 120.430 119.950 0.055 0.000 2.399 13 F HA 0.434 4.961 4.527 -0.000 0.000 0.334 13 F C 1.235 177.069 175.800 0.056 0.000 1.097 13 F CA -0.345 57.695 58.000 0.066 0.000 1.076 13 F CB 1.757 40.804 39.000 0.079 0.000 1.162 13 F HN 0.467 nan 8.300 nan 0.000 0.495 14 G N 2.466 111.411 108.800 0.241 0.000 2.400 14 G HA2 0.589 4.549 3.960 -0.000 0.000 0.333 14 G HA3 0.589 4.549 3.960 -0.000 0.000 0.333 14 G C -1.982 173.006 174.900 0.146 0.000 1.143 14 G CA -0.673 44.521 45.100 0.157 0.000 0.914 14 G HN 0.702 nan 8.290 nan 0.000 0.480 15 L N 3.252 124.534 121.223 0.098 0.000 2.316 15 L HA 0.690 5.030 4.340 -0.000 0.000 0.280 15 L C -0.378 176.502 176.870 0.016 0.000 1.006 15 L CA -0.975 53.889 54.840 0.041 0.000 0.836 15 L CB 1.713 43.791 42.059 0.031 0.000 1.221 15 L HN 0.416 nan 8.230 nan 0.000 0.418 16 V N 5.669 125.571 119.914 -0.020 0.000 2.439 16 V HA 0.920 5.040 4.120 -0.000 0.000 0.282 16 V C 0.347 176.409 176.094 -0.053 0.000 1.039 16 V CA 0.622 62.907 62.300 -0.025 0.000 0.913 16 V CB 0.712 32.521 31.823 -0.024 0.000 0.983 16 V HN 1.215 nan 8.190 nan 0.000 0.460 17 G N 4.603 113.382 108.800 -0.034 0.000 3.405 17 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.676 17 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.676 17 G C -0.406 174.481 174.900 -0.023 0.000 1.039 17 G CA -0.275 44.800 45.100 -0.042 0.000 0.855 17 G HN 1.512 nan 8.290 nan 0.000 0.443 18 C N 3.799 123.096 119.300 -0.004 0.000 2.626 18 C HA 0.707 5.167 4.460 -0.000 0.000 0.356 18 C C 1.681 176.682 174.990 0.017 0.000 1.398 18 C CA -0.091 58.932 59.018 0.010 0.000 1.678 18 C CB -0.736 27.014 27.740 0.015 0.000 2.430 18 C HN 1.159 nan 8.230 nan 0.000 0.561 19 G N 0.779 109.594 108.800 0.025 0.000 2.773 19 G HA2 0.283 4.243 3.960 -0.000 0.000 0.186 19 G HA3 0.283 4.243 3.960 -0.000 0.000 0.186 19 G C 1.023 175.954 174.900 0.052 0.000 1.411 19 G CA -0.360 44.768 45.100 0.046 0.000 1.054 19 G HN 0.413 nan 8.290 nan 0.000 0.579 20 R N -1.278 119.266 120.500 0.073 0.000 2.094 20 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 20 R C 2.340 178.662 176.300 0.037 0.000 1.137 20 R CA 1.735 57.869 56.100 0.056 0.000 0.943 20 R CB -0.482 29.862 30.300 0.074 0.000 0.850 20 R HN 0.330 nan 8.270 nan 0.000 0.433 21 I N 1.244 121.855 120.570 0.069 0.000 3.111 21 I HA -0.125 4.045 4.170 -0.000 0.000 0.272 21 I C 1.755 177.926 176.117 0.090 0.000 1.268 21 I CA 0.932 62.262 61.300 0.050 0.000 1.467 21 I CB -0.065 38.016 38.000 0.134 0.000 1.087 21 I HN 0.311 nan 8.210 nan 0.000 0.467 22 S N 0.416 116.166 115.700 0.084 0.000 2.359 22 S HA -0.273 4.197 4.470 -0.000 0.000 0.224 22 S C 2.050 176.688 174.600 0.064 0.000 1.035 22 S CA 1.295 59.547 58.200 0.087 0.000 1.018 22 S CB -0.618 62.604 63.200 0.036 0.000 0.876 22 S HN 0.336 nan 8.310 nan 0.000 0.448 23 K N 2.033 122.444 120.400 0.018 0.000 2.107 23 K HA -0.082 4.238 4.320 -0.000 0.000 0.211 23 K C 2.126 178.703 176.600 -0.039 0.000 1.049 23 K CA 1.716 58.001 56.287 -0.003 0.000 0.927 23 K CB -0.548 31.951 32.500 -0.002 0.000 0.714 23 K HN 0.477 nan 8.250 nan 0.000 0.452 24 N N -0.327 118.294 118.700 -0.131 0.000 2.244 24 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 24 N C 1.658 176.992 175.510 -0.293 0.000 1.016 24 N CA 0.876 53.745 53.050 -0.302 0.000 0.866 24 N CB -0.008 38.051 38.487 -0.713 0.000 0.980 24 N HN 0.405 nan 8.380 nan 0.000 0.430 25 H N 0.829 119.811 119.070 -0.147 0.000 2.333 25 H HA -0.014 4.542 4.556 -0.000 0.000 0.302 25 H C 2.294 177.510 175.328 -0.186 0.000 1.075 25 H CA 0.829 56.830 56.048 -0.079 0.000 1.348 25 H CB -0.041 29.738 29.762 0.029 0.000 1.393 25 H HN 0.163 nan 8.280 nan 0.000 0.509 26 I N 0.640 121.209 120.570 -0.002 0.000 2.113 26 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 26 I C 2.893 178.964 176.117 -0.076 0.000 1.064 26 I CA 1.619 62.893 61.300 -0.044 0.000 1.320 26 I CB -0.667 37.328 38.000 -0.008 0.000 1.028 26 I HN 0.258 nan 8.210 nan 0.000 0.406 27 G N -0.002 108.766 108.800 -0.054 0.000 2.475 27 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 27 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 27 G C 1.780 176.642 174.900 -0.064 0.000 1.125 27 G CA 0.955 46.031 45.100 -0.040 0.000 0.755 27 G HN 0.542 nan 8.290 nan 0.000 0.565 28 A N 0.381 123.125 122.820 -0.128 0.000 1.898 28 A HA 0.207 4.527 4.320 -0.000 0.000 0.214 28 A C 2.370 179.826 177.584 -0.214 0.000 1.183 28 A CA 0.979 52.939 52.037 -0.128 0.000 0.622 28 A CB -0.209 18.703 19.000 -0.148 0.000 0.824 28 A HN 0.361 nan 8.150 nan 0.000 0.444 29 I N 0.069 120.390 120.570 -0.415 0.000 2.110 29 I HA -0.216 3.954 4.170 -0.000 0.000 0.236 29 I C 2.576 178.635 176.117 -0.096 0.000 1.068 29 I CA 1.081 62.183 61.300 -0.329 0.000 1.333 29 I CB -0.436 37.343 38.000 -0.368 0.000 1.054 29 I HN 0.277 nan 8.210 nan 0.000 0.402 30 A N -0.076 122.696 122.820 -0.079 0.000 2.283 30 A HA -0.229 4.091 4.320 -0.000 0.000 0.203 30 A C 1.978 179.539 177.584 -0.038 0.000 1.297 30 A CA 1.599 53.614 52.037 -0.036 0.000 0.828 30 A CB -0.830 18.151 19.000 -0.031 0.000 0.749 30 A HN 0.689 nan 8.150 nan 0.000 0.511 31 Q N -1.983 117.791 119.800 -0.043 0.000 2.254 31 Q HA 0.082 4.422 4.340 -0.000 0.000 0.259 31 Q C 0.561 176.445 176.000 -0.193 0.000 0.815 31 Q CA -0.096 55.648 55.803 -0.097 0.000 0.961 31 Q CB 0.420 29.097 28.738 -0.102 0.000 1.140 31 Q HN 0.759 nan 8.270 nan 0.000 0.502 32 H N -0.379 118.669 119.070 -0.036 0.000 2.524 32 H HA 0.235 4.791 4.556 -0.000 0.000 0.299 32 H C 1.135 176.469 175.328 0.010 0.000 1.074 32 H CA 0.456 56.503 56.048 -0.003 0.000 1.115 32 H CB 0.851 30.621 29.762 0.014 0.000 1.522 32 H HN 0.433 nan 8.280 nan 0.000 0.543 33 G N 1.437 110.274 108.800 0.061 0.000 2.516 33 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.221 33 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.221 33 G C 1.488 176.422 174.900 0.057 0.000 1.107 33 G CA 0.954 46.086 45.100 0.053 0.000 0.747 33 G HN 0.496 nan 8.290 nan 0.000 0.567 34 D N 0.511 120.943 120.400 0.054 0.000 2.183 34 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 34 D C 2.086 178.425 176.300 0.065 0.000 0.969 34 D CA 0.624 54.653 54.000 0.049 0.000 0.842 34 D CB -0.363 40.459 40.800 0.036 0.000 0.957 34 D HN 0.353 nan 8.370 nan 0.000 0.484 35 R N -0.259 120.300 120.500 0.097 0.000 2.472 35 R HA 0.584 4.924 4.340 -0.000 0.000 0.279 35 R C -0.079 176.287 176.300 0.111 0.000 0.953 35 R CA 0.153 56.310 56.100 0.095 0.000 1.088 35 R CB 1.171 31.531 30.300 0.101 0.000 1.197 35 R HN 0.188 nan 8.270 nan 0.000 0.536 36 A N 1.242 124.142 122.820 0.133 0.000 2.599 36 A HA 0.455 4.775 4.320 -0.000 0.000 0.294 36 A C -1.587 176.097 177.584 0.166 0.000 1.055 36 A CA -0.951 51.203 52.037 0.196 0.000 0.683 36 A CB 1.321 20.525 19.000 0.339 0.000 1.278 36 A HN 0.207 nan 8.150 nan 0.000 0.412 37 E N 0.378 120.694 120.200 0.193 0.000 2.390 37 E HA 0.588 4.938 4.350 -0.000 0.000 0.277 37 E C -1.533 175.185 176.600 0.197 0.000 0.939 37 E CA -0.985 55.500 56.400 0.141 0.000 0.769 37 E CB 1.863 31.616 29.700 0.089 0.000 1.251 37 E HN 0.682 nan 8.360 nan 0.000 0.450 38 L N 3.009 124.316 121.223 0.140 0.000 2.282 38 L HA 0.209 4.549 4.340 -0.000 0.000 0.287 38 L C -0.175 176.764 176.870 0.116 0.000 1.075 38 L CA 0.060 54.987 54.840 0.145 0.000 0.839 38 L CB 1.011 43.120 42.059 0.083 0.000 1.219 38 L HN 0.703 nan 8.230 nan 0.000 0.434 39 V N 3.314 123.304 119.914 0.128 0.000 2.992 39 V HA 0.187 4.307 4.120 -0.000 0.000 0.250 39 V C 0.637 176.814 176.094 0.139 0.000 1.090 39 V CA 0.734 63.100 62.300 0.109 0.000 1.101 39 V CB -0.498 31.380 31.823 0.092 0.000 0.743 39 V HN 0.765 nan 8.190 nan 0.000 0.468 40 E N -0.060 120.238 120.200 0.163 0.000 2.367 40 E HA 0.764 5.114 4.350 -0.000 0.000 0.273 40 E C -1.008 175.707 176.600 0.191 0.000 0.903 40 E CA -0.592 55.949 56.400 0.234 0.000 0.764 40 E CB 2.973 32.836 29.700 0.272 0.000 1.252 40 E HN 0.361 nan 8.360 nan 0.000 0.446 41 I N -1.996 118.711 120.570 0.230 0.000 2.827 41 I HA 0.783 4.953 4.170 -0.000 0.000 0.298 41 I C -1.388 174.848 176.117 0.198 0.000 1.235 41 I CA -0.968 60.423 61.300 0.152 0.000 1.021 41 I CB 2.076 40.131 38.000 0.093 0.000 1.259 41 I HN 0.629 nan 8.210 nan 0.000 0.427 42 C N 3.912 123.287 119.300 0.125 0.000 2.701 42 C HA 0.796 5.256 4.460 -0.000 0.000 0.336 42 C C -1.896 173.128 174.990 0.057 0.000 1.123 42 C CA 0.133 59.224 59.018 0.122 0.000 1.326 42 C CB 1.209 29.007 27.740 0.096 0.000 1.833 42 C HN 0.986 nan 8.230 nan 0.000 0.473 43 D N 2.127 122.556 120.400 0.048 0.000 2.795 43 D HA 0.191 4.831 4.640 -0.000 0.000 0.206 43 D C 0.667 176.973 176.300 0.009 0.000 1.278 43 D CA 0.143 54.152 54.000 0.015 0.000 0.839 43 D CB 1.775 42.579 40.800 0.008 0.000 1.700 43 D HN 0.671 nan 8.370 nan 0.000 0.549 44 T N 0.304 114.853 114.554 -0.008 0.000 3.113 44 T HA -0.020 4.330 4.350 -0.000 0.000 0.263 44 T C 0.821 175.514 174.700 -0.011 0.000 1.143 44 T CA 0.053 62.147 62.100 -0.010 0.000 1.090 44 T CB -0.107 68.744 68.868 -0.029 0.000 0.922 44 T HN 0.330 nan 8.240 nan 0.000 0.521 45 N N 2.230 120.924 118.700 -0.010 0.000 2.462 45 N HA 0.153 4.893 4.740 -0.000 0.000 0.242 45 N C -1.946 173.563 175.510 -0.001 0.000 1.010 45 N CA -1.993 51.053 53.050 -0.006 0.000 0.939 45 N CB 1.994 40.479 38.487 -0.004 0.000 1.127 45 N HN -0.068 nan 8.380 nan 0.000 0.509 46 P HA -0.242 nan 4.420 nan 0.000 0.216 46 P C 0.835 178.133 177.300 -0.002 0.000 1.167 46 P CA 1.710 64.808 63.100 -0.002 0.000 0.933 46 P CB 0.299 31.997 31.700 -0.003 0.000 0.793 47 E N -0.560 119.639 120.200 -0.001 0.000 2.097 47 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 47 E C 2.154 178.755 176.600 0.002 0.000 1.000 47 E CA 1.489 57.889 56.400 0.000 0.000 0.804 47 E CB -0.544 29.157 29.700 0.002 0.000 0.740 47 E HN 0.215 nan 8.360 nan 0.000 0.454 48 A N 0.764 123.587 122.820 0.005 0.000 1.968 48 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 48 A C 2.099 179.687 177.584 0.007 0.000 1.169 48 A CA 0.797 52.839 52.037 0.008 0.000 0.638 48 A CB -0.279 18.727 19.000 0.010 0.000 0.812 48 A HN 0.227 nan 8.150 nan 0.000 0.446 49 L N -0.377 120.849 121.223 0.005 0.000 2.131 49 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 49 L C 2.329 179.199 176.870 -0.001 0.000 1.087 49 L CA 1.953 56.797 54.840 0.006 0.000 0.767 49 L CB -0.656 41.408 42.059 0.008 0.000 0.917 49 L HN 0.463 nan 8.230 nan 0.000 0.441 50 Q N -0.011 119.786 119.800 -0.005 0.000 2.030 50 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 50 Q C 2.250 178.247 176.000 -0.005 0.000 0.986 50 Q CA 2.038 57.836 55.803 -0.009 0.000 0.843 50 Q CB -0.533 28.200 28.738 -0.008 0.000 0.904 50 Q HN 0.683 nan 8.270 nan 0.000 0.420 51 A N 0.586 123.405 122.820 -0.001 0.000 2.067 51 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 51 A C 2.158 179.745 177.584 0.004 0.000 1.158 51 A CA 1.376 53.414 52.037 0.001 0.000 0.661 51 A CB -0.505 18.497 19.000 0.004 0.000 0.801 51 A HN 0.393 nan 8.150 nan 0.000 0.452 52 A N -0.147 122.677 122.820 0.006 0.000 1.935 52 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 52 A C 1.957 179.547 177.584 0.009 0.000 1.178 52 A CA 1.391 53.434 52.037 0.010 0.000 0.640 52 A CB -0.366 18.644 19.000 0.017 0.000 0.825 52 A HN 0.660 nan 8.150 nan 0.000 0.447 53 E N 0.188 120.389 120.200 0.002 0.000 2.152 53 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 53 E C 1.803 178.401 176.600 -0.005 0.000 0.983 53 E CA 0.948 57.345 56.400 -0.004 0.000 0.818 53 E CB -0.213 29.475 29.700 -0.020 0.000 0.758 53 E HN 0.477 nan 8.360 nan 0.000 0.467 54 A N 0.531 123.348 122.820 -0.005 0.000 2.067 54 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 54 A C 2.123 179.706 177.584 -0.002 0.000 1.156 54 A CA 1.012 53.046 52.037 -0.005 0.000 0.683 54 A CB -0.136 18.861 19.000 -0.005 0.000 0.808 54 A HN 0.367 nan 8.150 nan 0.000 0.455 55 A N -0.971 121.850 122.820 0.001 0.000 2.303 55 A HA 0.263 4.583 4.320 -0.000 0.000 0.217 55 A C 1.827 179.413 177.584 0.004 0.000 1.205 55 A CA 1.507 53.545 52.037 0.002 0.000 0.875 55 A CB -0.191 18.811 19.000 0.003 0.000 0.910 55 A HN 0.556 nan 8.150 nan 0.000 0.501 56 T N -6.174 108.384 114.554 0.007 0.000 2.964 56 T HA 0.415 4.765 4.350 -0.000 0.000 0.250 56 T C 1.563 176.270 174.700 0.012 0.000 0.982 56 T CA 1.054 63.162 62.100 0.012 0.000 0.959 56 T CB 0.240 69.121 68.868 0.021 0.000 1.141 56 T HN 1.487 nan 8.240 nan 0.000 0.494 57 G N 2.043 110.847 108.800 0.007 0.000 2.212 57 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.266 57 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.266 57 G C 0.465 175.368 174.900 0.005 0.000 0.978 57 G CA 0.140 45.241 45.100 0.003 0.000 0.632 57 G HN 1.225 nan 8.290 nan 0.000 0.537 58 A N -0.098 122.733 122.820 0.018 0.000 2.386 58 A HA 0.641 4.961 4.320 -0.000 0.000 0.246 58 A C 0.869 178.457 177.584 0.007 0.000 1.089 58 A CA 0.698 52.755 52.037 0.033 0.000 0.790 58 A CB 0.171 19.211 19.000 0.066 0.000 1.042 58 A HN 0.977 nan 8.150 nan 0.000 0.497 59 R N 1.703 122.213 120.500 0.017 0.000 2.351 59 R HA 0.230 4.570 4.340 -0.000 0.000 0.318 59 R C -2.444 173.752 176.300 -0.175 0.000 1.055 59 R CA -1.270 54.767 56.100 -0.105 0.000 0.968 59 R CB 0.273 30.527 30.300 -0.076 0.000 0.974 59 R HN 0.442 nan 8.270 nan 0.000 0.439 60 P HA 0.094 nan 4.420 nan 0.000 0.271 60 P C -1.155 175.773 177.300 -0.620 0.000 1.218 60 P CA 0.229 63.178 63.100 -0.251 0.000 0.780 60 P CB 0.489 32.091 31.700 -0.163 0.000 0.901 61 F N -0.244 119.707 119.950 0.003 0.000 2.581 61 F HA 0.196 4.723 4.527 -0.000 0.000 0.311 61 F C 1.087 176.885 175.800 -0.003 0.000 1.113 61 F CA -0.551 57.450 58.000 0.001 0.000 0.935 61 F CB 1.799 40.801 39.000 0.003 0.000 1.232 61 F HN 0.186 nan 8.300 nan 0.000 0.445 62 S N -0.121 115.659 115.700 0.132 0.000 2.660 62 S HA 0.369 4.839 4.470 -0.000 0.000 0.227 62 S C -0.029 174.618 174.600 0.078 0.000 0.948 62 S CA 0.223 58.470 58.200 0.078 0.000 0.948 62 S CB -0.501 62.720 63.200 0.035 0.000 0.779 62 S HN 0.696 nan 8.310 nan 0.000 0.487 63 S N -0.100 115.669 115.700 0.115 0.000 2.543 63 S HA 0.449 4.919 4.470 -0.000 0.000 0.274 63 S C -0.044 174.584 174.600 0.046 0.000 1.149 63 S CA -0.824 57.413 58.200 0.062 0.000 0.866 63 S CB 0.813 64.039 63.200 0.044 0.000 1.111 63 S HN 0.272 nan 8.310 nan 0.000 0.457 64 L N 2.619 123.847 121.223 0.008 0.000 2.201 64 L HA 0.077 4.417 4.340 -0.000 0.000 0.212 64 L C 2.236 179.072 176.870 -0.056 0.000 1.105 64 L CA 2.584 57.405 54.840 -0.032 0.000 0.775 64 L CB -0.825 41.224 42.059 -0.017 0.000 0.913 64 L HN 0.883 nan 8.230 nan 0.000 0.440 65 S N -1.175 114.510 115.700 -0.024 0.000 2.371 65 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 65 S C 1.658 176.234 174.600 -0.040 0.000 1.029 65 S CA 0.926 59.109 58.200 -0.028 0.000 0.978 65 S CB -0.731 62.466 63.200 -0.005 0.000 0.833 65 S HN 0.463 nan 8.310 nan 0.000 0.466 66 D N 1.785 122.187 120.400 0.002 0.000 2.106 66 D HA -0.144 4.496 4.640 -0.000 0.000 0.191 66 D C 1.838 178.045 176.300 -0.156 0.000 0.997 66 D CA 1.419 55.450 54.000 0.053 0.000 0.834 66 D CB -0.447 40.491 40.800 0.230 0.000 0.956 66 D HN 0.397 nan 8.370 nan 0.000 0.448 67 M N -0.054 119.282 119.600 -0.440 0.000 2.267 67 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 67 M C 1.674 177.577 176.300 -0.663 0.000 1.063 67 M CA 1.202 55.725 55.300 -1.294 0.000 1.090 67 M CB 0.150 32.241 32.600 -0.848 0.000 1.392 67 M HN -0.012 nan 8.290 nan 0.000 0.422 68 L N -1.034 119.998 121.223 -0.318 0.000 2.357 68 L HA 0.138 4.478 4.340 -0.000 0.000 0.211 68 L C 2.525 179.314 176.870 -0.136 0.000 1.075 68 L CA 0.487 55.209 54.840 -0.197 0.000 0.830 68 L CB -0.522 41.465 42.059 -0.120 0.000 0.996 68 L HN 0.303 nan 8.230 nan 0.000 0.467 69 A N -0.644 122.113 122.820 -0.105 0.000 2.121 69 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 69 A C 1.947 179.511 177.584 -0.034 0.000 1.154 69 A CA 1.474 53.481 52.037 -0.050 0.000 0.679 69 A CB -0.072 18.918 19.000 -0.017 0.000 0.795 69 A HN 0.495 nan 8.150 nan 0.000 0.458 70 Q N -2.245 117.519 119.800 -0.060 0.000 2.101 70 Q HA 0.216 4.556 4.340 -0.000 0.000 0.236 70 Q C 0.862 176.881 176.000 0.032 0.000 0.772 70 Q CA 0.293 56.116 55.803 0.034 0.000 0.944 70 Q CB 1.115 29.959 28.738 0.177 0.000 1.171 70 Q HN 0.542 nan 8.270 nan 0.000 0.463 71 G N 0.536 109.236 108.800 -0.167 0.000 2.522 71 G HA2 0.283 4.243 3.960 -0.000 0.000 0.304 71 G HA3 0.283 4.243 3.960 -0.000 0.000 0.304 71 G C 0.034 174.898 174.900 -0.060 0.000 1.210 71 G CA -0.415 44.621 45.100 -0.106 0.000 0.960 71 G HN 0.360 nan 8.290 nan 0.000 0.497 72 N N -1.236 117.455 118.700 -0.014 0.000 2.159 72 N HA 0.353 5.093 4.740 -0.000 0.000 0.217 72 N C 0.656 176.153 175.510 -0.022 0.000 1.223 72 N CA 0.136 53.178 53.050 -0.014 0.000 0.896 72 N CB 0.775 39.268 38.487 0.010 0.000 1.064 72 N HN 0.638 nan 8.380 nan 0.000 0.518 73 A N 0.761 123.567 122.820 -0.023 0.000 2.587 73 A HA -0.031 4.289 4.320 -0.000 0.000 0.233 73 A C 0.763 178.320 177.584 -0.044 0.000 1.049 73 A CA 0.322 52.346 52.037 -0.022 0.000 0.754 73 A CB 0.209 19.210 19.000 0.002 0.000 0.977 73 A HN 0.308 nan 8.150 nan 0.000 0.509 74 D N 0.781 121.136 120.400 -0.075 0.000 2.137 74 D HA 0.143 4.783 4.640 -0.000 0.000 0.202 74 D C 0.734 177.045 176.300 0.018 0.000 0.970 74 D CA 1.896 55.871 54.000 -0.041 0.000 0.837 74 D CB 0.109 40.854 40.800 -0.091 0.000 0.981 74 D HN 0.688 nan 8.370 nan 0.000 0.475 75 A N 1.002 123.791 122.820 -0.053 0.000 2.359 75 A HA 0.559 4.879 4.320 -0.000 0.000 0.303 75 A C -0.695 176.985 177.584 0.159 0.000 1.066 75 A CA -0.598 51.488 52.037 0.083 0.000 0.730 75 A CB 1.390 20.406 19.000 0.027 0.000 1.211 75 A HN 0.018 nan 8.150 nan 0.000 0.439 76 L N 2.411 123.727 121.223 0.154 0.000 2.325 76 L HA 0.546 4.886 4.340 -0.000 0.000 0.279 76 L C -0.509 176.456 176.870 0.158 0.000 1.054 76 L CA -0.949 53.974 54.840 0.138 0.000 0.804 76 L CB 1.579 43.667 42.059 0.048 0.000 1.200 76 L HN 0.407 nan 8.230 nan 0.000 0.436 77 V N 4.272 124.260 119.914 0.123 0.000 2.370 77 V HA 0.291 4.411 4.120 -0.000 0.000 0.279 77 V C 0.313 176.344 176.094 -0.104 0.000 1.029 77 V CA -0.455 61.861 62.300 0.028 0.000 0.870 77 V CB 1.666 33.484 31.823 -0.008 0.000 0.984 77 V HN 0.482 nan 8.190 nan 0.000 0.451 78 L N 4.952 126.077 121.223 -0.163 0.000 2.268 78 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 78 L C 0.761 177.401 176.870 -0.384 0.000 1.064 78 L CA -0.115 54.561 54.840 -0.273 0.000 0.824 78 L CB 0.916 42.756 42.059 -0.365 0.000 1.202 78 L HN 0.755 nan 8.230 nan 0.000 0.433 79 A N 2.139 124.805 122.820 -0.256 0.000 2.749 79 A HA 0.379 4.699 4.320 -0.000 0.000 0.299 79 A C 0.615 178.155 177.584 -0.073 0.000 1.105 79 A CA -0.393 51.543 52.037 -0.168 0.000 0.987 79 A CB -0.045 18.838 19.000 -0.196 0.000 1.180 79 A HN 0.637 nan 8.150 nan 0.000 0.528 80 T N -2.579 111.943 114.554 -0.054 0.000 2.880 80 T HA 0.598 4.948 4.350 -0.000 0.000 0.279 80 T C -2.965 171.611 174.700 -0.208 0.000 0.990 80 T CA -2.289 59.743 62.100 -0.113 0.000 0.938 80 T CB 0.217 69.031 68.868 -0.090 0.000 1.206 80 T HN 0.020 nan 8.240 nan 0.000 0.573 81 P HA 0.104 nan 4.420 nan 0.000 0.261 81 P C 0.683 177.664 177.300 -0.532 0.000 1.173 81 P CA 0.198 62.538 63.100 -1.267 0.000 0.760 81 P CB 0.202 31.103 31.700 -1.332 0.000 0.783 82 S N 2.945 118.369 115.700 -0.460 0.000 2.387 82 S HA -0.178 4.292 4.470 -0.000 0.000 0.230 82 S C 2.207 176.565 174.600 -0.404 0.000 1.035 82 S CA 1.724 59.515 58.200 -0.682 0.000 1.014 82 S CB -1.072 62.021 63.200 -0.177 0.000 0.836 82 S HN 0.750 nan 8.310 nan 0.000 0.466 83 G N 0.953 109.816 108.800 0.106 0.000 2.479 83 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.220 83 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.220 83 G C 1.177 176.347 174.900 0.451 0.000 1.115 83 G CA 0.521 45.842 45.100 0.368 0.000 0.757 83 G HN 0.491 nan 8.290 nan 0.000 0.560 84 L N -0.989 120.423 121.223 0.314 0.000 2.477 84 L HA 0.205 4.545 4.340 -0.000 0.000 0.220 84 L C 2.361 179.416 176.870 0.310 0.000 1.106 84 L CA 0.023 55.076 54.840 0.356 0.000 0.851 84 L CB -0.223 41.938 42.059 0.169 0.000 0.994 84 L HN 0.297 nan 8.230 nan 0.000 0.462 85 H N 0.319 119.434 119.070 0.074 0.000 2.290 85 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 85 H C -0.525 174.769 175.328 -0.057 0.000 1.087 85 H CA 1.194 57.245 56.048 0.005 0.000 1.291 85 H CB -1.175 28.584 29.762 -0.006 0.000 1.369 85 H HN 0.269 nan 8.280 nan 0.000 0.492 86 P HA -0.213 nan 4.420 nan 0.000 0.215 86 P C 0.689 177.775 177.300 -0.357 0.000 1.157 86 P CA 1.528 64.430 63.100 -0.330 0.000 0.874 86 P CB -0.343 30.964 31.700 -0.654 0.000 0.790 87 W N -0.155 121.190 121.300 0.076 0.000 2.436 87 W HA -0.011 4.649 4.660 -0.000 0.000 0.284 87 W C 2.578 179.121 176.519 0.040 0.000 1.225 87 W CA 0.484 57.863 57.345 0.056 0.000 1.271 87 W CB -0.991 28.513 29.460 0.075 0.000 1.114 87 W HN 0.028 nan 8.180 nan 0.000 0.559 88 Q N 0.272 120.195 119.800 0.205 0.000 2.083 88 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 88 Q C 2.513 178.546 176.000 0.054 0.000 0.969 88 Q CA 1.444 57.315 55.803 0.113 0.000 0.838 88 Q CB -0.642 28.148 28.738 0.087 0.000 0.900 88 Q HN 0.303 nan 8.270 nan 0.000 0.436 89 A N 1.214 124.049 122.820 0.024 0.000 1.940 89 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 89 A C 2.046 179.622 177.584 -0.014 0.000 1.176 89 A CA 1.157 53.190 52.037 -0.007 0.000 0.631 89 A CB -0.633 18.348 19.000 -0.030 0.000 0.814 89 A HN 0.284 nan 8.150 nan 0.000 0.446 90 I N -1.009 119.555 120.570 -0.011 0.000 2.163 90 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 90 I C 2.551 178.685 176.117 0.028 0.000 1.081 90 I CA 1.678 62.979 61.300 0.001 0.000 1.353 90 I CB -0.501 37.514 38.000 0.024 0.000 1.054 90 I HN 0.487 nan 8.210 nan 0.000 0.407 91 E N 0.998 121.234 120.200 0.060 0.000 2.048 91 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 91 E C 2.307 178.910 176.600 0.005 0.000 1.021 91 E CA 2.166 58.590 56.400 0.040 0.000 0.825 91 E CB 0.027 29.759 29.700 0.053 0.000 0.756 91 E HN 0.234 nan 8.360 nan 0.000 0.454 92 V N 0.886 120.800 119.914 -0.000 0.000 2.392 92 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 92 V C 2.303 178.376 176.094 -0.036 0.000 1.059 92 V CA 1.898 64.186 62.300 -0.021 0.000 1.051 92 V CB -0.709 31.107 31.823 -0.011 0.000 0.658 92 V HN 0.447 nan 8.190 nan 0.000 0.455 93 A N -1.225 121.576 122.820 -0.032 0.000 1.968 93 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 93 A C 2.161 179.715 177.584 -0.051 0.000 1.169 93 A CA 1.378 53.385 52.037 -0.050 0.000 0.638 93 A CB -0.340 18.633 19.000 -0.046 0.000 0.812 93 A HN 0.597 nan 8.150 nan 0.000 0.446 94 Q N -0.348 119.433 119.800 -0.032 0.000 2.002 94 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 94 Q C 2.042 178.020 176.000 -0.036 0.000 0.988 94 Q CA 1.516 57.304 55.803 -0.026 0.000 0.843 94 Q CB -0.430 28.303 28.738 -0.007 0.000 0.908 94 Q HN 0.624 nan 8.270 nan 0.000 0.420 95 A N 0.456 123.253 122.820 -0.038 0.000 2.253 95 A HA 0.150 4.470 4.320 -0.000 0.000 0.203 95 A C 1.332 178.875 177.584 -0.068 0.000 1.272 95 A CA 0.783 52.791 52.037 -0.049 0.000 0.847 95 A CB -1.239 17.730 19.000 -0.052 0.000 0.772 95 A HN 0.571 nan 8.150 nan 0.000 0.494 96 G N -0.705 108.048 108.800 -0.077 0.000 2.233 96 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.270 96 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.270 96 G C 0.344 175.142 174.900 -0.171 0.000 1.011 96 G CA 0.710 45.743 45.100 -0.111 0.000 0.762 96 G HN 0.652 nan 8.290 nan 0.000 0.511 97 R N -0.542 119.861 120.500 -0.162 0.000 2.810 97 R HA 0.539 4.879 4.340 -0.000 0.000 0.245 97 R C 0.085 176.228 176.300 -0.263 0.000 1.168 97 R CA -0.892 55.077 56.100 -0.220 0.000 1.096 97 R CB 0.366 30.602 30.300 -0.106 0.000 1.259 97 R HN 0.374 nan 8.270 nan 0.000 0.518 98 H N -0.150 118.928 119.070 0.014 0.000 2.562 98 H HA 0.280 4.836 4.556 -0.000 0.000 0.352 98 H C -0.189 175.197 175.328 0.097 0.000 1.125 98 H CA -0.310 55.776 56.048 0.062 0.000 1.379 98 H CB 1.255 31.087 29.762 0.116 0.000 1.464 98 H HN 0.049 nan 8.280 nan 0.000 0.563 99 V N 3.155 123.217 119.914 0.246 0.000 2.513 99 V HA 0.200 4.319 4.120 -0.000 0.000 0.299 99 V C 0.078 176.349 176.094 0.295 0.000 1.035 99 V CA -0.743 61.670 62.300 0.188 0.000 0.889 99 V CB 2.023 33.896 31.823 0.083 0.000 0.988 99 V HN 0.442 nan 8.190 nan 0.000 0.440 100 V N 3.588 123.638 119.914 0.228 0.000 2.380 100 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 100 V C 0.099 176.239 176.094 0.077 0.000 1.015 100 V CA -0.202 62.236 62.300 0.231 0.000 0.834 100 V CB 1.725 33.659 31.823 0.184 0.000 1.009 100 V HN 0.886 nan 8.190 nan 0.000 0.428 101 S N 4.155 119.888 115.700 0.056 0.000 2.457 101 S HA 0.417 4.887 4.470 -0.000 0.000 0.289 101 S C 0.064 174.621 174.600 -0.071 0.000 1.163 101 S CA -0.573 57.575 58.200 -0.086 0.000 1.078 101 S CB 0.845 64.017 63.200 -0.046 0.000 0.987 101 S HN 0.694 nan 8.310 nan 0.000 0.482 102 E N 2.479 122.578 120.200 -0.169 0.000 2.442 102 E HA 0.091 4.441 4.350 -0.000 0.000 0.260 102 E C 0.072 176.764 176.600 0.153 0.000 1.148 102 E CA 0.009 56.422 56.400 0.022 0.000 0.976 102 E CB 0.417 30.177 29.700 0.100 0.000 0.967 102 E HN 0.687 nan 8.360 nan 0.000 0.454 103 K N 1.605 122.080 120.400 0.125 0.000 2.107 103 K HA 0.368 4.688 4.320 -0.000 0.000 0.251 103 K C -2.400 174.302 176.600 0.170 0.000 1.012 103 K CA -1.622 54.723 56.287 0.097 0.000 0.920 103 K CB -0.833 31.615 32.500 -0.087 0.000 1.033 103 K HN 0.114 nan 8.250 nan 0.000 0.478 104 P HA 0.006 nan 4.420 nan 0.000 0.274 104 P C 0.632 177.995 177.300 0.104 0.000 1.246 104 P CA -0.437 62.694 63.100 0.051 0.000 0.795 104 P CB 0.572 32.296 31.700 0.040 0.000 1.006 105 M N -0.114 119.539 119.600 0.088 0.000 2.358 105 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 105 M C 0.279 176.622 176.300 0.071 0.000 1.064 105 M CA 1.559 56.932 55.300 0.121 0.000 1.093 105 M CB -0.255 32.373 32.600 0.047 0.000 1.401 105 M HN 0.306 nan 8.290 nan 0.000 0.440 106 A N 0.002 122.829 122.820 0.011 0.000 2.586 106 A HA 0.489 4.809 4.320 -0.000 0.000 0.291 106 A C 0.354 177.947 177.584 0.014 0.000 1.062 106 A CA -0.092 51.929 52.037 -0.026 0.000 0.666 106 A CB 0.414 19.376 19.000 -0.064 0.000 1.281 106 A HN 0.366 nan 8.150 nan 0.000 0.421 107 T N -1.870 112.708 114.554 0.040 0.000 3.040 107 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 107 T C 0.538 175.301 174.700 0.105 0.000 1.058 107 T CA 0.337 62.499 62.100 0.103 0.000 0.988 107 T CB -0.136 68.823 68.868 0.152 0.000 0.993 107 T HN 0.569 nan 8.240 nan 0.000 0.519 108 R N 0.033 120.575 120.500 0.071 0.000 2.532 108 R HA 0.294 4.634 4.340 -0.000 0.000 0.297 108 R C 0.258 176.620 176.300 0.105 0.000 0.984 108 R CA -0.891 55.263 56.100 0.089 0.000 0.884 108 R CB 1.252 31.595 30.300 0.071 0.000 1.182 108 R HN 0.302 nan 8.270 nan 0.000 0.442 109 W N 4.195 125.465 121.300 -0.051 0.000 2.305 109 W HA -0.247 4.413 4.660 -0.000 0.000 0.308 109 W C 0.585 177.065 176.519 -0.064 0.000 1.226 109 W CA 1.613 58.921 57.345 -0.062 0.000 1.253 109 W CB 0.410 29.833 29.460 -0.063 0.000 1.146 109 W HN 0.633 nan 8.180 nan 0.000 0.507 110 E N 0.394 120.537 120.200 -0.096 0.000 2.107 110 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 110 E C 1.559 177.995 176.600 -0.273 0.000 0.982 110 E CA 1.334 57.595 56.400 -0.231 0.000 0.809 110 E CB -0.540 29.126 29.700 -0.057 0.000 0.756 110 E HN 0.360 nan 8.360 nan 0.000 0.459 111 D N 0.173 120.436 120.400 -0.227 0.000 2.117 111 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 111 D C 1.963 178.028 176.300 -0.391 0.000 0.982 111 D CA 1.297 55.064 54.000 -0.389 0.000 0.828 111 D CB -0.626 39.942 40.800 -0.386 0.000 0.967 111 D HN 0.255 nan 8.370 nan 0.000 0.464 112 G N 1.065 109.679 108.800 -0.310 0.000 2.459 112 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 112 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 112 G C 1.644 176.307 174.900 -0.395 0.000 1.183 112 G CA 0.776 45.696 45.100 -0.299 0.000 0.776 112 G HN 0.248 nan 8.290 nan 0.000 0.552 113 K N -0.283 119.772 120.400 -0.576 0.000 2.097 113 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 113 K C 2.631 179.031 176.600 -0.335 0.000 1.049 113 K CA 0.795 56.764 56.287 -0.529 0.000 0.933 113 K CB -0.123 31.976 32.500 -0.668 0.000 0.717 113 K HN 0.159 nan 8.250 nan 0.000 0.442 114 R N 1.131 121.439 120.500 -0.320 0.000 2.075 114 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 114 R C 2.486 178.644 176.300 -0.237 0.000 1.126 114 R CA 1.640 57.589 56.100 -0.252 0.000 0.963 114 R CB -0.110 30.024 30.300 -0.277 0.000 0.858 114 R HN 0.271 nan 8.270 nan 0.000 0.435 115 M N -1.056 118.380 119.600 -0.274 0.000 2.229 115 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 115 M C 1.707 177.914 176.300 -0.154 0.000 1.063 115 M CA 1.564 56.737 55.300 -0.211 0.000 1.114 115 M CB -0.286 32.189 32.600 -0.207 0.000 1.387 115 M HN -0.085 nan 8.290 nan 0.000 0.420 116 V N 1.981 121.794 119.914 -0.168 0.000 2.548 116 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 116 V C 2.817 178.841 176.094 -0.117 0.000 1.055 116 V CA 2.196 64.415 62.300 -0.134 0.000 1.065 116 V CB -0.934 30.801 31.823 -0.147 0.000 0.681 116 V HN 0.613 nan 8.190 nan 0.000 0.462 117 K N 1.125 121.449 120.400 -0.127 0.000 2.062 117 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 117 K C 2.173 178.726 176.600 -0.079 0.000 1.051 117 K CA 1.632 57.859 56.287 -0.099 0.000 0.941 117 K CB -0.370 32.068 32.500 -0.103 0.000 0.719 117 K HN 0.331 nan 8.250 nan 0.000 0.440 118 A N 1.632 124.403 122.820 -0.082 0.000 1.892 118 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 118 A C 2.555 180.103 177.584 -0.059 0.000 1.188 118 A CA 1.913 53.912 52.037 -0.062 0.000 0.631 118 A CB -1.207 17.757 19.000 -0.059 0.000 0.822 118 A HN 0.609 nan 8.150 nan 0.000 0.447 119 C N -0.380 118.879 119.300 -0.068 0.000 2.429 119 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 119 C C 2.386 177.341 174.990 -0.059 0.000 1.262 119 C CA 0.880 59.861 59.018 -0.063 0.000 1.733 119 C CB -1.275 26.424 27.740 -0.068 0.000 2.010 119 C HN 0.620 nan 8.230 nan 0.000 0.483 120 D N 0.468 120.831 120.400 -0.062 0.000 2.116 120 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 120 D C 2.027 178.300 176.300 -0.044 0.000 0.998 120 D CA 1.593 55.561 54.000 -0.053 0.000 0.836 120 D CB -0.559 40.210 40.800 -0.053 0.000 0.951 120 D HN 0.685 nan 8.370 nan 0.000 0.449 121 E N 0.422 120.595 120.200 -0.045 0.000 2.051 121 E HA -0.042 4.308 4.350 -0.000 0.000 0.189 121 E C 1.971 178.549 176.600 -0.037 0.000 0.979 121 E CA 0.751 57.128 56.400 -0.037 0.000 0.803 121 E CB -0.001 29.677 29.700 -0.037 0.000 0.761 121 E HN 0.134 nan 8.360 nan 0.000 0.451 122 A N 0.241 123.036 122.820 -0.043 0.000 2.178 122 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 122 A C 1.881 179.435 177.584 -0.049 0.000 1.157 122 A CA 1.300 53.309 52.037 -0.048 0.000 0.689 122 A CB -0.864 18.101 19.000 -0.058 0.000 0.787 122 A HN 0.549 nan 8.150 nan 0.000 0.465 123 G N -1.297 107.478 108.800 -0.042 0.000 2.166 123 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.260 123 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.260 123 G C 0.538 175.422 174.900 -0.026 0.000 0.986 123 G CA 1.059 46.140 45.100 -0.031 0.000 0.683 123 G HN 1.780 nan 8.290 nan 0.000 0.527 124 V N -3.218 116.667 119.914 -0.049 0.000 3.336 124 V HA 0.922 5.042 4.120 -0.000 0.000 0.314 124 V C 0.587 176.721 176.094 0.066 0.000 1.088 124 V CA -1.327 60.947 62.300 -0.043 0.000 1.033 124 V CB 1.467 33.173 31.823 -0.195 0.000 1.181 124 V HN 0.328 nan 8.190 nan 0.000 0.449 125 R N 0.714 121.394 120.500 0.299 0.000 2.407 125 R HA 0.708 5.048 4.340 -0.000 0.000 0.303 125 R C -1.106 175.134 176.300 -0.099 0.000 0.981 125 R CA -0.592 55.514 56.100 0.010 0.000 0.905 125 R CB 1.416 31.658 30.300 -0.097 0.000 1.099 125 R HN 0.816 nan 8.270 nan 0.000 0.459 126 L N 5.319 126.374 121.223 -0.281 0.000 2.298 126 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 126 L C -1.706 174.962 176.870 -0.337 0.000 1.013 126 L CA -0.200 54.532 54.840 -0.180 0.000 0.824 126 L CB 0.717 42.710 42.059 -0.109 0.000 1.221 126 L HN 0.525 nan 8.230 nan 0.000 0.418 127 F N 4.391 124.363 119.950 0.036 0.000 2.480 127 F HA 0.659 5.186 4.527 -0.000 0.000 0.329 127 F C 0.011 175.855 175.800 0.074 0.000 1.091 127 F CA -0.979 57.056 58.000 0.060 0.000 0.972 127 F CB 1.963 41.005 39.000 0.070 0.000 1.150 127 F HN 0.082 nan 8.300 nan 0.000 0.467 128 V N 3.509 123.574 119.914 0.251 0.000 2.357 128 V HA 0.213 4.333 4.120 -0.000 0.000 0.284 128 V C -0.219 175.885 176.094 0.017 0.000 1.018 128 V CA -1.039 61.325 62.300 0.106 0.000 0.841 128 V CB 1.439 33.289 31.823 0.045 0.000 0.991 128 V HN 0.538 nan 8.190 nan 0.000 0.437 129 V N 6.523 126.331 119.914 -0.176 0.000 2.450 129 V HA 0.059 4.179 4.120 -0.000 0.000 0.264 129 V C 0.641 176.444 176.094 -0.486 0.000 0.996 129 V CA 0.364 62.254 62.300 -0.683 0.000 1.138 129 V CB -0.383 31.149 31.823 -0.484 0.000 1.051 129 V HN 0.673 nan 8.190 nan 0.000 0.470 130 K N 5.450 125.556 120.400 -0.490 0.000 2.602 130 K HA 0.211 4.531 4.320 -0.000 0.000 0.201 130 K C 1.241 177.695 176.600 -0.245 0.000 1.070 130 K CA -0.296 55.843 56.287 -0.246 0.000 1.026 130 K CB 1.233 33.617 32.500 -0.194 0.000 1.534 130 K HN 0.745 nan 8.250 nan 0.000 0.560 131 Q N 0.267 119.907 119.800 -0.265 0.000 2.245 131 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 131 Q C 0.349 176.274 176.000 -0.125 0.000 0.955 131 Q CA 1.168 56.837 55.803 -0.223 0.000 0.870 131 Q CB 0.002 28.559 28.738 -0.302 0.000 0.945 131 Q HN 0.138 nan 8.270 nan 0.000 0.461 132 N N 1.824 120.442 118.700 -0.137 0.000 2.258 132 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 132 N C 1.620 177.069 175.510 -0.101 0.000 1.012 132 N CA 1.249 54.234 53.050 -0.109 0.000 0.870 132 N CB -0.330 38.060 38.487 -0.162 0.000 0.977 132 N HN 0.395 nan 8.380 nan 0.000 0.434 133 R N 0.406 120.755 120.500 -0.251 0.000 2.152 133 R HA 0.051 4.391 4.340 -0.000 0.000 0.232 133 R C 1.637 177.898 176.300 -0.065 0.000 1.117 133 R CA 0.715 56.527 56.100 -0.480 0.000 0.981 133 R CB -0.021 29.686 30.300 -0.989 0.000 0.870 133 R HN 0.252 nan 8.270 nan 0.000 0.451 134 R N 0.722 121.214 120.500 -0.014 0.000 2.235 134 R HA 0.019 4.359 4.340 -0.000 0.000 0.213 134 R C 0.075 176.436 176.300 0.101 0.000 1.059 134 R CA 0.149 56.291 56.100 0.071 0.000 0.997 134 R CB -0.661 29.680 30.300 0.069 0.000 0.884 134 R HN 0.172 nan 8.270 nan 0.000 0.462 135 N N 1.577 120.334 118.700 0.096 0.000 2.217 135 N HA -0.109 4.631 4.740 -0.000 0.000 0.268 135 N C 0.972 176.563 175.510 0.135 0.000 1.290 135 N CA 0.537 53.655 53.050 0.113 0.000 0.831 135 N CB 0.602 39.158 38.487 0.116 0.000 1.057 135 N HN 0.153 nan 8.380 nan 0.000 0.481 136 A N 2.486 125.368 122.820 0.102 0.000 1.933 136 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 136 A C 2.138 179.778 177.584 0.093 0.000 1.175 136 A CA 1.988 54.079 52.037 0.091 0.000 0.628 136 A CB -0.988 18.050 19.000 0.064 0.000 0.814 136 A HN 0.789 nan 8.150 nan 0.000 0.444 137 T N -0.943 113.669 114.554 0.097 0.000 2.708 137 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 137 T C 1.804 176.608 174.700 0.172 0.000 1.037 137 T CA 1.579 63.748 62.100 0.116 0.000 1.146 137 T CB -0.621 68.315 68.868 0.115 0.000 0.865 137 T HN 0.315 nan 8.240 nan 0.000 0.435 138 L N 0.264 121.606 121.223 0.198 0.000 2.156 138 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 138 L C 3.319 180.326 176.870 0.228 0.000 1.095 138 L CA 0.789 55.779 54.840 0.249 0.000 0.770 138 L CB -0.635 41.645 42.059 0.368 0.000 0.914 138 L HN 0.198 nan 8.230 nan 0.000 0.439 139 Q N 0.448 120.390 119.800 0.236 0.000 2.061 139 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 139 Q C 2.400 178.482 176.000 0.137 0.000 0.984 139 Q CA 1.567 57.489 55.803 0.198 0.000 0.846 139 Q CB -0.389 28.461 28.738 0.186 0.000 0.902 139 Q HN 0.533 nan 8.270 nan 0.000 0.421 140 L N -0.169 121.141 121.223 0.146 0.000 2.079 140 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 140 L C 2.464 179.510 176.870 0.293 0.000 1.081 140 L CA 0.851 55.799 54.840 0.180 0.000 0.752 140 L CB -0.657 41.471 42.059 0.116 0.000 0.896 140 L HN 0.039 nan 8.230 nan 0.000 0.433 141 V N 0.012 120.108 119.914 0.304 0.000 2.343 141 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 141 V C 2.577 178.739 176.094 0.114 0.000 1.051 141 V CA 1.873 64.350 62.300 0.295 0.000 1.036 141 V CB -0.517 31.459 31.823 0.255 0.000 0.654 141 V HN 0.381 nan 8.190 nan 0.000 0.451 142 K N 1.058 121.445 120.400 -0.021 0.000 2.059 142 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 142 K C 2.045 178.588 176.600 -0.096 0.000 1.050 142 K CA 1.887 58.054 56.287 -0.201 0.000 0.927 142 K CB -0.368 31.951 32.500 -0.301 0.000 0.714 142 K HN 0.444 nan 8.250 nan 0.000 0.447 143 K N -0.478 119.910 120.400 -0.020 0.000 2.031 143 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 143 K C 2.205 178.752 176.600 -0.088 0.000 1.049 143 K CA 1.122 57.387 56.287 -0.037 0.000 0.939 143 K CB -0.277 32.219 32.500 -0.006 0.000 0.717 143 K HN 0.238 nan 8.250 nan 0.000 0.438 144 A N 1.547 124.317 122.820 -0.082 0.000 1.978 144 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 144 A C 2.088 179.631 177.584 -0.069 0.000 1.170 144 A CA 1.241 53.136 52.037 -0.237 0.000 0.636 144 A CB -0.536 18.246 19.000 -0.364 0.000 0.810 144 A HN 0.174 nan 8.150 nan 0.000 0.448 145 I N -0.945 119.680 120.570 0.092 0.000 2.130 145 I HA -0.206 3.964 4.170 -0.000 0.000 0.234 145 I C 2.475 178.581 176.117 -0.018 0.000 1.067 145 I CA 1.370 62.740 61.300 0.117 0.000 1.339 145 I CB -0.458 37.528 38.000 -0.023 0.000 1.073 145 I HN 0.381 nan 8.210 nan 0.000 0.405 146 E N 0.452 120.611 120.200 -0.068 0.000 2.164 146 E HA -0.343 4.007 4.350 -0.000 0.000 0.206 146 E C 1.740 178.302 176.600 -0.063 0.000 1.032 146 E CA 1.658 58.017 56.400 -0.069 0.000 0.832 146 E CB -0.194 29.466 29.700 -0.067 0.000 0.742 146 E HN 0.579 nan 8.360 nan 0.000 0.460 147 Q N -0.974 118.775 119.800 -0.085 0.000 2.282 147 Q HA 0.126 4.466 4.340 -0.000 0.000 0.205 147 Q C 0.839 176.782 176.000 -0.096 0.000 0.915 147 Q CA 0.346 56.092 55.803 -0.096 0.000 0.949 147 Q CB 0.797 29.448 28.738 -0.145 0.000 1.035 147 Q HN 0.410 nan 8.270 nan 0.000 0.484 148 G N 1.512 110.270 108.800 -0.068 0.000 2.155 148 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.257 148 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.257 148 G C 0.768 175.637 174.900 -0.051 0.000 0.983 148 G CA 0.422 45.492 45.100 -0.050 0.000 0.676 148 G HN 0.412 nan 8.290 nan 0.000 0.528 149 R N -1.028 119.403 120.500 -0.114 0.000 2.280 149 R HA 0.176 4.516 4.340 -0.000 0.000 0.207 149 R C 1.811 178.086 176.300 -0.041 0.000 1.043 149 R CA 1.052 57.037 56.100 -0.191 0.000 1.006 149 R CB -0.225 29.726 30.300 -0.582 0.000 0.885 149 R HN 0.464 nan 8.270 nan 0.000 0.467 150 F N 0.547 120.505 119.950 0.013 0.000 2.512 150 F HA 0.157 4.684 4.527 -0.000 0.000 0.296 150 F C 1.849 177.542 175.800 -0.177 0.000 1.110 150 F CA 0.808 58.759 58.000 -0.083 0.000 1.446 150 F CB -0.243 38.648 39.000 -0.183 0.000 1.092 150 F HN 0.162 nan 8.300 nan 0.000 0.554 151 G N 0.407 109.211 108.800 0.008 0.000 2.641 151 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.254 151 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.254 151 G C -0.236 174.536 174.900 -0.213 0.000 1.315 151 G CA -0.474 44.571 45.100 -0.091 0.000 0.907 151 G HN 0.332 nan 8.290 nan 0.000 0.572 152 R N -0.096 120.232 120.500 -0.286 0.000 2.504 152 R HA 0.121 4.461 4.340 -0.000 0.000 0.302 152 R C 0.961 176.794 176.300 -0.778 0.000 0.893 152 R CA 0.522 56.350 56.100 -0.454 0.000 1.138 152 R CB -0.378 29.721 30.300 -0.335 0.000 0.880 152 R HN 0.434 nan 8.270 nan 0.000 0.415 153 I N 6.160 126.329 120.570 -0.668 0.000 2.472 153 I HA 0.041 4.211 4.170 -0.000 0.000 0.290 153 I C 0.224 176.095 176.117 -0.411 0.000 1.016 153 I CA -0.223 60.690 61.300 -0.645 0.000 1.348 153 I CB 0.956 38.558 38.000 -0.663 0.000 1.417 153 I HN 0.719 nan 8.210 nan 0.000 0.521 154 Y N 3.914 124.123 120.300 -0.153 0.000 2.638 154 Y HA 0.306 4.856 4.550 -0.000 0.000 0.275 154 Y C 0.475 176.342 175.900 -0.054 0.000 1.122 154 Y CA -0.389 57.669 58.100 -0.069 0.000 1.266 154 Y CB 0.343 38.771 38.460 -0.053 0.000 1.317 154 Y HN 0.527 nan 8.280 nan 0.000 0.501 155 M N 0.069 119.703 119.600 0.056 0.000 2.322 155 M HA 0.658 5.138 4.480 -0.000 0.000 0.285 155 M C -2.471 173.799 176.300 -0.051 0.000 1.119 155 M CA -0.472 54.851 55.300 0.039 0.000 0.953 155 M CB 1.925 34.567 32.600 0.070 0.000 1.701 155 M HN -0.224 nan 8.290 nan 0.000 0.479 156 V N 3.268 123.175 119.914 -0.013 0.000 2.686 156 V HA 0.815 4.935 4.120 -0.000 0.000 0.306 156 V C -0.819 175.342 176.094 0.111 0.000 1.065 156 V CA -0.481 61.804 62.300 -0.025 0.000 0.894 156 V CB 2.407 34.139 31.823 -0.152 0.000 1.004 156 V HN 0.895 nan 8.190 nan 0.000 0.424 157 T N 3.668 118.271 114.554 0.082 0.000 2.881 157 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 157 T C -0.748 173.994 174.700 0.070 0.000 0.990 157 T CA -0.428 61.728 62.100 0.093 0.000 0.976 157 T CB 1.728 70.636 68.868 0.067 0.000 0.970 157 T HN 0.349 nan 8.240 nan 0.000 0.438 158 V N 4.754 124.712 119.914 0.073 0.000 2.495 158 V HA 0.567 4.687 4.120 -0.000 0.000 0.298 158 V C -0.505 175.524 176.094 -0.109 0.000 1.031 158 V CA -0.965 61.350 62.300 0.024 0.000 0.871 158 V CB 1.842 33.726 31.823 0.102 0.000 0.988 158 V HN 0.780 nan 8.190 nan 0.000 0.432 159 N N 2.808 121.331 118.700 -0.295 0.000 2.292 159 N HA 0.733 5.473 4.740 -0.000 0.000 0.303 159 N C -1.195 173.858 175.510 -0.762 0.000 1.140 159 N CA -0.452 52.196 53.050 -0.671 0.000 0.788 159 N CB 2.626 40.334 38.487 -1.299 0.000 1.361 159 N HN 0.342 nan 8.380 nan 0.000 0.489 160 V N 2.212 121.629 119.914 -0.828 0.000 2.629 160 V HA 0.279 4.399 4.120 -0.000 0.000 0.263 160 V C -1.345 174.461 176.094 -0.480 0.000 0.959 160 V CA -0.550 61.168 62.300 -0.970 0.000 0.869 160 V CB 0.162 31.243 31.823 -1.237 0.000 1.060 160 V HN 0.448 nan 8.190 nan 0.000 0.474 161 F N 3.369 123.156 119.950 -0.271 0.000 2.359 161 F HA 0.593 5.120 4.527 -0.000 0.000 0.355 161 F C -0.023 175.886 175.800 0.182 0.000 1.132 161 F CA -1.322 56.647 58.000 -0.052 0.000 1.246 161 F CB 0.188 39.191 39.000 0.006 0.000 1.569 161 F HN 0.359 nan 8.300 nan 0.000 0.561 162 W N 0.332 121.673 121.300 0.068 0.000 3.139 162 W HA 0.681 5.341 4.660 -0.000 0.000 0.399 162 W C -0.319 176.188 176.519 -0.020 0.000 1.484 162 W CA -1.280 56.062 57.345 -0.005 0.000 1.287 162 W CB 0.379 29.806 29.460 -0.056 0.000 1.948 162 W HN -0.104 nan 8.180 nan 0.000 0.668 163 T N 2.753 117.421 114.554 0.191 0.000 2.991 163 T HA 0.533 4.883 4.350 -0.000 0.000 0.303 163 T C -0.701 173.962 174.700 -0.062 0.000 1.015 163 T CA -0.896 61.235 62.100 0.052 0.000 1.007 163 T CB 1.864 70.733 68.868 0.001 0.000 1.034 163 T HN 0.049 nan 8.240 nan 0.000 0.446 164 R N 3.104 123.566 120.500 -0.063 0.000 2.539 164 R HA 0.390 4.730 4.340 -0.000 0.000 0.295 164 R C -3.031 173.292 176.300 0.038 0.000 1.138 164 R CA -1.818 54.148 56.100 -0.222 0.000 0.936 164 R CB 1.970 31.923 30.300 -0.579 0.000 1.182 164 R HN 0.417 nan 8.270 nan 0.000 0.459 165 P HA 0.103 nan 4.420 nan 0.000 0.277 165 P C 0.461 177.903 177.300 0.236 0.000 1.271 165 P CA -0.386 62.794 63.100 0.134 0.000 0.795 165 P CB 1.058 32.808 31.700 0.084 0.000 1.101 166 Q N 0.687 120.610 119.800 0.205 0.000 2.152 166 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 166 Q C 1.807 177.916 176.000 0.182 0.000 0.985 166 Q CA 2.103 58.037 55.803 0.218 0.000 0.863 166 Q CB -0.641 28.167 28.738 0.117 0.000 0.904 166 Q HN 0.415 nan 8.270 nan 0.000 0.422 167 E N -0.883 119.387 120.200 0.117 0.000 2.153 167 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 167 E C 1.924 178.547 176.600 0.040 0.000 0.988 167 E CA 1.291 57.730 56.400 0.065 0.000 0.811 167 E CB -1.041 28.688 29.700 0.048 0.000 0.746 167 E HN 0.620 nan 8.360 nan 0.000 0.466 168 Y N 1.356 121.605 120.300 -0.084 0.000 2.097 168 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 168 Y C 2.081 177.830 175.900 -0.250 0.000 1.152 168 Y CA 1.852 59.822 58.100 -0.217 0.000 1.136 168 Y CB -0.611 37.629 38.460 -0.366 0.000 0.975 168 Y HN -0.100 nan 8.280 nan 0.000 0.498 169 Y N 0.481 120.710 120.300 -0.118 0.000 2.200 169 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 169 Y C 2.323 178.068 175.900 -0.258 0.000 1.137 169 Y CA 1.571 59.513 58.100 -0.264 0.000 1.163 169 Y CB -0.686 37.744 38.460 -0.049 0.000 0.988 169 Y HN 0.152 nan 8.280 nan 0.000 0.518 170 D N -0.145 120.260 120.400 0.008 0.000 2.265 170 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 170 D C 2.113 178.369 176.300 -0.073 0.000 0.977 170 D CA 1.113 55.100 54.000 -0.023 0.000 0.871 170 D CB -0.413 40.392 40.800 0.009 0.000 0.925 170 D HN 0.330 nan 8.370 nan 0.000 0.485 171 A N -0.164 122.574 122.820 -0.137 0.000 2.234 171 A HA 0.259 4.578 4.320 -0.000 0.000 0.216 171 A C 0.899 178.414 177.584 -0.115 0.000 1.167 171 A CA 1.331 53.288 52.037 -0.133 0.000 0.698 171 A CB -0.072 18.814 19.000 -0.189 0.000 0.779 171 A HN 0.235 nan 8.150 nan 0.000 0.475 172 A N -2.216 120.519 122.820 -0.142 0.000 2.580 172 A HA 0.561 4.881 4.320 -0.000 0.000 0.301 172 A C 0.387 177.917 177.584 -0.090 0.000 1.054 172 A CA -0.516 51.479 52.037 -0.070 0.000 0.751 172 A CB 0.336 19.333 19.000 -0.005 0.000 1.275 172 A HN 0.186 nan 8.150 nan 0.000 0.403 173 R N 1.446 121.967 120.500 0.035 0.000 2.189 173 R HA -0.095 4.245 4.340 -0.000 0.000 0.223 173 R C 1.716 178.092 176.300 0.126 0.000 1.092 173 R CA 2.037 58.173 56.100 0.059 0.000 0.989 173 R CB -0.063 30.284 30.300 0.079 0.000 0.876 173 R HN 0.907 nan 8.270 nan 0.000 0.457 174 W N 2.151 123.463 121.300 0.021 0.000 2.519 174 W HA 0.022 4.682 4.660 -0.000 0.000 0.266 174 W C -0.284 176.343 176.519 0.180 0.000 1.253 174 W CA -0.158 57.245 57.345 0.097 0.000 1.274 174 W CB -0.202 29.242 29.460 -0.027 0.000 1.114 174 W HN -0.139 nan 8.180 nan 0.000 0.596 175 R N 0.937 121.116 120.500 -0.535 0.000 2.438 175 R HA 0.280 4.619 4.340 -0.000 0.000 0.287 175 R C 1.309 177.529 176.300 -0.133 0.000 1.077 175 R CA 0.772 56.481 56.100 -0.651 0.000 1.034 175 R CB 0.506 30.393 30.300 -0.687 0.000 0.993 175 R HN 0.263 nan 8.270 nan 0.000 0.459 176 G N 1.980 110.759 108.800 -0.034 0.000 2.205 176 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.261 176 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.261 176 G C 0.029 174.804 174.900 -0.209 0.000 0.980 176 G CA 0.263 45.281 45.100 -0.136 0.000 0.632 176 G HN 0.445 nan 8.290 nan 0.000 0.533 177 K N -0.416 119.962 120.400 -0.037 0.000 2.174 177 K HA 0.504 4.824 4.320 -0.000 0.000 0.275 177 K C 0.975 177.566 176.600 -0.013 0.000 1.015 177 K CA -0.606 55.664 56.287 -0.030 0.000 0.933 177 K CB 0.370 32.999 32.500 0.214 0.000 1.025 177 K HN 0.276 nan 8.250 nan 0.000 0.463 178 W N 0.945 122.263 121.300 0.030 0.000 2.355 178 W HA -0.163 4.497 4.660 -0.000 0.000 0.309 178 W C 1.934 178.435 176.519 -0.031 0.000 1.206 178 W CA 1.018 58.379 57.345 0.026 0.000 1.284 178 W CB 0.077 29.527 29.460 -0.015 0.000 1.145 178 W HN 0.758 nan 8.180 nan 0.000 0.502 179 E N -0.517 119.691 120.200 0.014 0.000 2.077 179 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 179 E C 1.645 178.000 176.600 -0.408 0.000 0.989 179 E CA 1.751 57.921 56.400 -0.383 0.000 0.800 179 E CB -0.463 28.721 29.700 -0.860 0.000 0.746 179 E HN 0.429 nan 8.360 nan 0.000 0.452 180 W N -0.670 120.789 121.300 0.265 0.000 2.872 180 W HA 0.150 4.810 4.660 -0.000 0.000 0.266 180 W C 1.719 178.472 176.519 0.391 0.000 1.276 180 W CA -0.040 57.484 57.345 0.299 0.000 1.471 180 W CB 0.592 30.283 29.460 0.385 0.000 1.071 180 W HN 0.129 nan 8.180 nan 0.000 0.619 181 D N -2.419 118.292 120.400 0.519 0.000 2.135 181 D HA 0.164 4.804 4.640 -0.000 0.000 0.318 181 D C 1.385 177.896 176.300 0.351 0.000 1.109 181 D CA 1.670 55.972 54.000 0.502 0.000 0.952 181 D CB -0.012 41.034 40.800 0.410 0.000 1.816 181 D HN -0.024 nan 8.370 nan 0.000 0.528 182 G N -0.032 108.958 108.800 0.316 0.000 2.645 182 G HA2 0.125 4.085 3.960 -0.000 0.000 0.246 182 G HA3 0.125 4.085 3.960 -0.000 0.000 0.246 182 G C 0.552 175.574 174.900 0.203 0.000 1.322 182 G CA -0.002 45.323 45.100 0.375 0.000 0.898 182 G HN 0.711 nan 8.290 nan 0.000 0.573 183 G N -2.508 106.476 108.800 0.307 0.000 2.990 183 G HA2 0.739 4.699 3.960 -0.000 0.000 0.208 183 G HA3 0.739 4.699 3.960 -0.000 0.000 0.208 183 G C 1.493 176.555 174.900 0.271 0.000 1.334 183 G CA 1.190 46.386 45.100 0.159 0.000 1.024 183 G HN 1.990 nan 8.290 nan 0.000 0.574 184 A N -1.061 121.885 122.820 0.210 0.000 1.997 184 A HA -0.061 4.259 4.320 -0.000 0.000 0.221 184 A C 2.063 179.696 177.584 0.082 0.000 1.172 184 A CA 1.965 54.077 52.037 0.125 0.000 0.645 184 A CB -0.578 18.435 19.000 0.022 0.000 0.813 184 A HN 0.435 nan 8.150 nan 0.000 0.454 185 F N -1.548 118.526 119.950 0.207 0.000 2.270 185 F HA 0.085 4.612 4.527 -0.000 0.000 0.295 185 F C 2.427 178.292 175.800 0.108 0.000 1.087 185 F CA 1.571 59.666 58.000 0.157 0.000 1.365 185 F CB -0.116 39.022 39.000 0.230 0.000 1.056 185 F HN 0.276 nan 8.300 nan 0.000 0.506 186 M N -0.724 119.094 119.600 0.364 0.000 2.394 186 M HA -0.048 4.432 4.480 -0.000 0.000 0.266 186 M C 1.865 178.276 176.300 0.185 0.000 1.098 186 M CA 1.137 56.551 55.300 0.190 0.000 1.149 186 M CB -0.100 32.605 32.600 0.175 0.000 1.369 186 M HN 0.029 nan 8.290 nan 0.000 0.450 187 N N 0.210 119.052 118.700 0.236 0.000 2.272 187 N HA -0.102 4.638 4.740 -0.000 0.000 0.195 187 N C 1.487 177.130 175.510 0.223 0.000 1.048 187 N CA 1.839 55.034 53.050 0.241 0.000 0.912 187 N CB -0.403 38.258 38.487 0.290 0.000 1.096 187 N HN 0.296 nan 8.380 nan 0.000 0.471 188 Q N 0.386 120.316 119.800 0.216 0.000 2.050 188 Q HA 0.142 4.482 4.340 -0.000 0.000 0.202 188 Q C 1.614 177.699 176.000 0.141 0.000 0.980 188 Q CA 2.100 58.040 55.803 0.227 0.000 0.840 188 Q CB -0.450 28.403 28.738 0.193 0.000 0.898 188 Q HN 0.540 nan 8.270 nan 0.000 0.424 189 A N 0.131 122.955 122.820 0.006 0.000 2.275 189 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 189 A C 1.893 179.582 177.584 0.175 0.000 1.201 189 A CA 0.555 52.585 52.037 -0.012 0.000 0.843 189 A CB -0.372 18.460 19.000 -0.281 0.000 0.873 189 A HN 0.359 nan 8.150 nan 0.000 0.492 190 S N -0.092 115.678 115.700 0.116 0.000 2.399 190 S HA -0.234 4.235 4.470 -0.000 0.000 0.231 190 S C 1.640 176.234 174.600 -0.010 0.000 1.022 190 S CA 1.317 59.541 58.200 0.040 0.000 0.983 190 S CB -0.913 62.264 63.200 -0.038 0.000 0.803 190 S HN 0.718 nan 8.310 nan 0.000 0.480 191 H N -0.024 119.108 119.070 0.103 0.000 2.456 191 H HA -0.018 4.538 4.556 -0.000 0.000 0.296 191 H C 1.391 176.613 175.328 -0.176 0.000 1.079 191 H CA 1.697 57.709 56.048 -0.058 0.000 1.322 191 H CB -0.231 29.446 29.762 -0.140 0.000 1.388 191 H HN 0.628 nan 8.280 nan 0.000 0.538 192 Y N -0.626 119.749 120.300 0.125 0.000 2.396 192 Y HA -0.042 4.508 4.550 -0.000 0.000 0.292 192 Y C 2.705 178.665 175.900 0.099 0.000 1.128 192 Y CA 0.069 58.221 58.100 0.086 0.000 1.194 192 Y CB -0.163 38.286 38.460 -0.018 0.000 1.124 192 Y HN -0.152 nan 8.280 nan 0.000 0.543 193 V N 0.780 120.837 119.914 0.239 0.000 2.317 193 V HA -0.369 3.751 4.120 -0.000 0.000 0.251 193 V C 1.936 178.114 176.094 0.140 0.000 1.065 193 V CA 2.406 64.813 62.300 0.178 0.000 1.049 193 V CB -0.645 31.270 31.823 0.154 0.000 0.651 193 V HN 0.421 nan 8.190 nan 0.000 0.450 194 D N -0.014 120.451 120.400 0.107 0.000 2.190 194 D HA -0.203 4.437 4.640 -0.000 0.000 0.200 194 D C 1.847 178.269 176.300 0.204 0.000 0.992 194 D CA 1.398 55.460 54.000 0.103 0.000 0.854 194 D CB -0.222 40.589 40.800 0.018 0.000 0.936 194 D HN 0.485 nan 8.370 nan 0.000 0.462 195 L N -0.301 121.057 121.223 0.225 0.000 2.291 195 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 195 L C 2.376 179.441 176.870 0.326 0.000 1.120 195 L CA 0.196 55.230 54.840 0.323 0.000 0.799 195 L CB -0.339 41.878 42.059 0.263 0.000 0.925 195 L HN 0.188 nan 8.230 nan 0.000 0.446 196 L N -0.189 121.219 121.223 0.307 0.000 1.994 196 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 196 L C 2.212 179.352 176.870 0.450 0.000 1.071 196 L CA 1.637 56.728 54.840 0.418 0.000 0.745 196 L CB -0.507 41.703 42.059 0.251 0.000 0.892 196 L HN 0.236 nan 8.230 nan 0.000 0.431 197 D N -1.014 119.566 120.400 0.300 0.000 2.123 197 D HA -0.222 4.418 4.640 -0.000 0.000 0.200 197 D C 1.908 178.393 176.300 0.308 0.000 0.976 197 D CA 0.816 54.983 54.000 0.279 0.000 0.831 197 D CB -0.076 40.833 40.800 0.182 0.000 0.974 197 D HN 0.294 nan 8.370 nan 0.000 0.469 198 W N 0.823 122.195 121.300 0.121 0.000 2.379 198 W HA -0.023 4.637 4.660 -0.000 0.000 0.307 198 W C 1.701 178.273 176.519 0.088 0.000 1.200 198 W CA 1.274 58.675 57.345 0.093 0.000 1.297 198 W CB -0.498 29.008 29.460 0.077 0.000 1.140 198 W HN 0.014 nan 8.180 nan 0.000 0.507 199 L N -0.609 120.590 121.223 -0.039 0.000 2.049 199 L HA -0.149 4.191 4.340 -0.000 0.000 0.203 199 L C 2.133 178.906 176.870 -0.162 0.000 1.074 199 L CA 1.183 55.859 54.840 -0.273 0.000 0.749 199 L CB -1.214 40.751 42.059 -0.157 0.000 0.907 199 L HN -0.208 nan 8.230 nan 0.000 0.439 200 V N -1.200 118.700 119.914 -0.024 0.000 2.992 200 V HA 0.351 4.471 4.120 -0.000 0.000 0.250 200 V C 0.918 177.042 176.094 0.051 0.000 1.090 200 V CA 0.737 62.943 62.300 -0.156 0.000 1.101 200 V CB -0.124 31.381 31.823 -0.530 0.000 0.743 200 V HN 0.638 nan 8.190 nan 0.000 0.468 201 G N 0.630 109.581 108.800 0.251 0.000 2.331 201 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.479 201 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.479 201 G C -3.248 171.874 174.900 0.370 0.000 1.262 201 G CA -0.544 44.716 45.100 0.267 0.000 1.029 201 G HN 0.054 nan 8.290 nan 0.000 0.487 202 P HA 0.458 nan 4.420 nan 0.000 0.280 202 P C 0.057 177.338 177.300 -0.032 0.000 1.244 202 P CA -0.135 63.024 63.100 0.099 0.000 0.784 202 P CB 1.490 33.223 31.700 0.055 0.000 0.913 203 V N 3.886 123.652 119.914 -0.246 0.000 2.530 203 V HA 0.026 4.146 4.120 -0.000 0.000 0.282 203 V C 1.920 177.827 176.094 -0.312 0.000 1.048 203 V CA 0.291 62.266 62.300 -0.542 0.000 0.997 203 V CB 0.836 32.302 31.823 -0.594 0.000 0.987 203 V HN 0.692 nan 8.190 nan 0.000 0.477 204 E N 2.859 122.887 120.200 -0.286 0.000 2.140 204 E HA 0.009 4.358 4.350 -0.000 0.000 0.191 204 E C 0.641 177.137 176.600 -0.172 0.000 0.973 204 E CA 1.007 57.303 56.400 -0.172 0.000 0.829 204 E CB 0.594 30.230 29.700 -0.106 0.000 0.781 204 E HN 0.838 nan 8.360 nan 0.000 0.466 205 S N -0.821 114.757 115.700 -0.203 0.000 2.587 205 S HA 0.505 4.975 4.470 -0.000 0.000 0.269 205 S C -0.662 173.820 174.600 -0.197 0.000 1.154 205 S CA -0.459 57.636 58.200 -0.175 0.000 0.824 205 S CB 1.669 64.801 63.200 -0.113 0.000 1.118 205 S HN 0.144 nan 8.310 nan 0.000 0.462 206 V N -1.036 118.773 119.914 -0.176 0.000 3.102 206 V HA 0.901 5.021 4.120 -0.000 0.000 0.312 206 V C -1.577 174.457 176.094 -0.099 0.000 1.135 206 V CA -0.957 61.249 62.300 -0.156 0.000 1.022 206 V CB 1.520 33.217 31.823 -0.209 0.000 1.056 206 V HN 1.222 nan 8.190 nan 0.000 0.436 207 Y N 1.070 121.275 120.300 -0.159 0.000 2.406 207 Y HA 0.864 5.414 4.550 -0.000 0.000 0.340 207 Y C -0.253 175.525 175.900 -0.203 0.000 0.975 207 Y CA 0.040 58.027 58.100 -0.188 0.000 1.056 207 Y CB 1.837 40.190 38.460 -0.177 0.000 1.210 207 Y HN 1.267 nan 8.280 nan 0.000 0.448 208 A N 4.515 126.895 122.820 -0.734 0.000 2.475 208 A HA 0.749 5.069 4.320 -0.000 0.000 0.301 208 A C -2.413 174.901 177.584 -0.451 0.000 1.059 208 A CA -0.565 51.259 52.037 -0.354 0.000 0.710 208 A CB 0.965 19.767 19.000 -0.330 0.000 1.288 208 A HN 0.696 nan 8.150 nan 0.000 0.408 209 Y N 0.475 120.806 120.300 0.051 0.000 2.409 209 Y HA 0.680 5.230 4.550 -0.000 0.000 0.339 209 Y C 0.934 176.873 175.900 0.065 0.000 1.033 209 Y CA 0.068 58.206 58.100 0.063 0.000 1.094 209 Y CB 2.539 41.076 38.460 0.128 0.000 1.210 209 Y HN 0.849 nan 8.280 nan 0.000 0.456 210 T N -0.544 114.132 114.554 0.203 0.000 2.864 210 T HA 0.984 5.334 4.350 -0.000 0.000 0.299 210 T C -0.922 173.867 174.700 0.148 0.000 1.166 210 T CA -0.753 61.463 62.100 0.194 0.000 1.007 210 T CB 2.023 70.982 68.868 0.153 0.000 1.219 210 T HN 0.990 nan 8.240 nan 0.000 0.506 211 A N 0.398 123.294 122.820 0.128 0.000 2.599 211 A HA 0.763 5.083 4.320 -0.000 0.000 0.290 211 A C -0.621 176.992 177.584 0.047 0.000 1.101 211 A CA -0.971 51.115 52.037 0.083 0.000 0.674 211 A CB 1.147 20.186 19.000 0.065 0.000 1.277 211 A HN 0.877 nan 8.150 nan 0.000 0.419 212 T N 2.191 116.755 114.554 0.017 0.000 2.929 212 T HA 0.385 4.735 4.350 -0.000 0.000 0.331 212 T C 0.944 175.635 174.700 -0.016 0.000 1.120 212 T CA -0.116 61.968 62.100 -0.027 0.000 0.973 212 T CB -0.090 68.740 68.868 -0.063 0.000 1.036 212 T HN 0.449 nan 8.240 nan 0.000 0.502 213 L N 1.303 122.521 121.223 -0.008 0.000 2.270 213 L HA 0.228 4.568 4.340 -0.000 0.000 0.210 213 L C 2.065 178.929 176.870 -0.010 0.000 1.104 213 L CA 0.654 55.492 54.840 -0.004 0.000 0.804 213 L CB -0.030 42.030 42.059 0.002 0.000 0.937 213 L HN 0.711 nan 8.230 nan 0.000 0.450 214 A N -2.080 120.731 122.820 -0.016 0.000 2.414 214 A HA 0.213 4.533 4.320 -0.000 0.000 0.165 214 A C 0.564 178.134 177.584 -0.022 0.000 1.718 214 A CA -0.416 51.615 52.037 -0.011 0.000 1.268 214 A CB 0.467 19.471 19.000 0.006 0.000 1.547 214 A HN -0.027 nan 8.150 nan 0.000 0.462 215 R N 0.776 121.243 120.500 -0.056 0.000 2.531 215 R HA 0.289 4.629 4.340 -0.000 0.000 0.273 215 R C -0.189 176.035 176.300 -0.127 0.000 1.070 215 R CA -0.529 55.511 56.100 -0.100 0.000 1.112 215 R CB 0.437 30.606 30.300 -0.218 0.000 1.049 215 R HN 0.222 nan 8.270 nan 0.000 0.508 216 R N 3.539 123.974 120.500 -0.108 0.000 3.701 216 R HA 0.172 4.512 4.340 -0.000 0.000 0.210 216 R C -0.163 176.040 176.300 -0.161 0.000 1.598 216 R CA 0.136 56.176 56.100 -0.100 0.000 1.427 216 R CB -0.856 29.415 30.300 -0.048 0.000 1.339 216 R HN 0.538 nan 8.270 nan 0.000 0.720 217 I N -2.388 118.045 120.570 -0.229 0.000 3.279 217 I HA 0.360 4.530 4.170 -0.000 0.000 0.315 217 I C 0.367 176.319 176.117 -0.275 0.000 1.187 217 I CA -1.025 60.100 61.300 -0.292 0.000 0.953 217 I CB 1.960 39.659 38.000 -0.503 0.000 1.279 217 I HN 0.065 nan 8.210 nan 0.000 0.465 218 E N 1.394 121.386 120.200 -0.346 0.000 2.140 218 E HA 0.202 4.552 4.350 -0.000 0.000 0.191 218 E C 0.946 177.107 176.600 -0.731 0.000 0.973 218 E CA 0.587 56.745 56.400 -0.404 0.000 0.829 218 E CB 0.110 29.572 29.700 -0.396 0.000 0.781 218 E HN 0.695 nan 8.360 nan 0.000 0.466 219 A N 2.256 124.460 122.820 -1.027 0.000 2.301 219 A HA 0.169 4.489 4.320 -0.000 0.000 0.287 219 A C 0.327 177.576 177.584 -0.559 0.000 1.274 219 A CA -0.628 50.563 52.037 -1.410 0.000 0.865 219 A CB 0.294 18.639 19.000 -1.091 0.000 1.324 219 A HN 0.104 nan 8.150 nan 0.000 0.508 220 E N -0.313 119.707 120.200 -0.301 0.000 2.319 220 E HA 0.218 4.568 4.350 -0.000 0.000 0.268 220 E C -1.082 175.503 176.600 -0.024 0.000 1.050 220 E CA 0.062 56.432 56.400 -0.051 0.000 0.878 220 E CB 1.190 30.959 29.700 0.114 0.000 1.066 220 E HN 0.596 nan 8.360 nan 0.000 0.406 221 D N 0.439 120.837 120.400 -0.002 0.000 2.449 221 D HA 0.121 4.761 4.640 -0.000 0.000 0.210 221 D C -0.366 175.963 176.300 0.049 0.000 1.094 221 D CA -0.032 53.978 54.000 0.017 0.000 0.846 221 D CB 0.471 41.260 40.800 -0.019 0.000 1.003 221 D HN 0.315 nan 8.370 nan 0.000 0.504 222 T N -0.968 113.633 114.554 0.079 0.000 2.923 222 T HA 0.731 5.081 4.350 -0.000 0.000 0.311 222 T C -0.334 174.482 174.700 0.193 0.000 1.183 222 T CA -0.370 61.782 62.100 0.087 0.000 1.020 222 T CB 2.174 71.075 68.868 0.055 0.000 1.165 222 T HN 0.335 nan 8.240 nan 0.000 0.482 223 G N 0.178 109.129 108.800 0.251 0.000 2.342 223 G HA2 0.570 4.530 3.960 -0.000 0.000 0.297 223 G HA3 0.570 4.530 3.960 -0.000 0.000 0.297 223 G C -2.303 172.870 174.900 0.454 0.000 1.313 223 G CA -0.489 44.850 45.100 0.399 0.000 0.830 223 G HN 0.817 nan 8.290 nan 0.000 0.506 224 V N -0.454 119.739 119.914 0.464 0.000 2.891 224 V HA 0.798 4.918 4.120 -0.000 0.000 0.304 224 V C -0.246 176.030 176.094 0.304 0.000 1.171 224 V CA -0.169 62.367 62.300 0.395 0.000 0.943 224 V CB 1.650 33.664 31.823 0.318 0.000 1.037 224 V HN 1.936 nan 8.190 nan 0.000 0.427 225 A N 2.911 125.883 122.820 0.253 0.000 2.343 225 A HA 0.967 5.287 4.320 -0.000 0.000 0.308 225 A C -0.104 177.551 177.584 0.118 0.000 1.092 225 A CA -0.082 52.018 52.037 0.105 0.000 0.751 225 A CB 1.548 20.541 19.000 -0.012 0.000 1.203 225 A HN 1.552 nan 8.150 nan 0.000 0.452 226 A N 2.016 124.904 122.820 0.113 0.000 2.322 226 A HA 0.819 5.139 4.320 -0.000 0.000 0.269 226 A C -0.432 177.161 177.584 0.014 0.000 1.094 226 A CA -0.161 51.931 52.037 0.093 0.000 0.807 226 A CB 0.270 19.336 19.000 0.109 0.000 1.047 226 A HN 0.961 nan 8.150 nan 0.000 0.487 227 L N 0.452 121.669 121.223 -0.010 0.000 2.465 227 L HA 0.673 5.013 4.340 -0.000 0.000 0.257 227 L C -0.175 176.633 176.870 -0.103 0.000 0.988 227 L CA -0.556 54.187 54.840 -0.162 0.000 0.827 227 L CB 2.403 44.258 42.059 -0.339 0.000 1.397 227 L HN 0.866 nan 8.230 nan 0.000 0.410 228 R N 1.332 121.717 120.500 -0.191 0.000 2.514 228 R HA 0.376 4.716 4.340 -0.000 0.000 0.296 228 R C -1.576 174.625 176.300 -0.164 0.000 1.012 228 R CA -0.463 55.610 56.100 -0.045 0.000 0.897 228 R CB 1.538 31.832 30.300 -0.009 0.000 1.184 228 R HN 0.535 nan 8.270 nan 0.000 0.440 229 W N 4.015 125.226 121.300 -0.148 0.000 2.237 229 W HA 0.209 4.869 4.660 -0.000 0.000 0.335 229 W C 1.182 177.530 176.519 -0.286 0.000 1.230 229 W CA -0.264 56.901 57.345 -0.300 0.000 1.253 229 W CB 1.040 30.113 29.460 -0.646 0.000 1.129 229 W HN 0.668 nan 8.180 nan 0.000 0.590 230 R N -0.054 120.409 120.500 -0.062 0.000 2.120 230 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 230 R C 1.852 178.168 176.300 0.028 0.000 1.123 230 R CA 1.940 58.028 56.100 -0.021 0.000 0.975 230 R CB -0.243 30.056 30.300 -0.002 0.000 0.866 230 R HN 0.514 nan 8.270 nan 0.000 0.446 231 H N -2.290 116.868 119.070 0.147 0.000 2.556 231 H HA 0.238 4.793 4.556 -0.000 0.000 0.268 231 H C 1.103 176.483 175.328 0.086 0.000 0.996 231 H CA 0.640 56.736 56.048 0.080 0.000 1.157 231 H CB 0.118 29.894 29.762 0.025 0.000 1.355 231 H HN 0.302 nan 8.280 nan 0.000 0.597 232 G N -0.829 108.093 108.800 0.205 0.000 2.195 232 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 232 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 232 G C 0.705 175.763 174.900 0.264 0.000 0.990 232 G CA -0.022 45.203 45.100 0.209 0.000 0.639 232 G HN 0.891 nan 8.290 nan 0.000 0.514 233 A N -0.150 122.888 122.820 0.363 0.000 2.429 233 A HA 0.765 5.085 4.320 -0.000 0.000 0.242 233 A C 0.433 178.255 177.584 0.397 0.000 1.088 233 A CA 1.109 53.316 52.037 0.283 0.000 0.784 233 A CB 0.313 19.372 19.000 0.099 0.000 1.038 233 A HN 0.749 nan 8.150 nan 0.000 0.501 234 M N -0.630 119.173 119.600 0.338 0.000 2.658 234 M HA 0.667 5.147 4.480 -0.000 0.000 0.295 234 M C 0.295 176.831 176.300 0.393 0.000 1.248 234 M CA 0.438 55.954 55.300 0.361 0.000 0.843 234 M CB 2.851 35.568 32.600 0.196 0.000 1.749 234 M HN 1.177 nan 8.290 nan 0.000 0.464 235 G N 0.019 109.039 108.800 0.365 0.000 2.360 235 G HA2 0.535 4.495 3.960 -0.000 0.000 0.276 235 G HA3 0.535 4.495 3.960 -0.000 0.000 0.276 235 G C -1.967 173.069 174.900 0.226 0.000 1.256 235 G CA -0.157 45.118 45.100 0.292 0.000 0.890 235 G HN 0.976 nan 8.290 nan 0.000 0.486 236 S N -1.496 114.330 115.700 0.210 0.000 2.550 236 S HA 0.765 5.235 4.470 -0.000 0.000 0.270 236 S C -1.278 173.426 174.600 0.173 0.000 1.145 236 S CA -0.605 57.697 58.200 0.171 0.000 0.852 236 S CB 1.977 65.270 63.200 0.156 0.000 1.119 236 S HN 1.609 nan 8.310 nan 0.000 0.465 237 I N 1.865 122.543 120.570 0.179 0.000 2.466 237 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 237 I C -1.574 174.663 176.117 0.200 0.000 1.026 237 I CA -0.707 60.698 61.300 0.174 0.000 1.078 237 I CB 1.260 39.389 38.000 0.215 0.000 1.249 237 I HN 0.752 nan 8.210 nan 0.000 0.429 238 N N 7.329 126.096 118.700 0.112 0.000 2.442 238 N HA 0.459 5.199 4.740 -0.000 0.000 0.274 238 N C -1.336 174.222 175.510 0.080 0.000 1.002 238 N CA -0.411 52.748 53.050 0.183 0.000 0.910 238 N CB 2.649 41.316 38.487 0.300 0.000 1.244 238 N HN 0.232 nan 8.380 nan 0.000 0.492 239 V N 0.836 120.732 119.914 -0.031 0.000 2.735 239 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 239 V C 0.099 176.150 176.094 -0.071 0.000 1.061 239 V CA -0.503 61.669 62.300 -0.214 0.000 0.913 239 V CB 2.165 33.545 31.823 -0.738 0.000 1.005 239 V HN 0.697 nan 8.190 nan 0.000 0.428 240 T N 3.764 118.308 114.554 -0.016 0.000 2.932 240 T HA 0.446 4.796 4.350 -0.000 0.000 0.318 240 T C -0.248 174.472 174.700 0.033 0.000 1.265 240 T CA -0.495 61.606 62.100 0.002 0.000 1.036 240 T CB 1.567 70.437 68.868 0.003 0.000 1.209 240 T HN 0.444 nan 8.240 nan 0.000 0.484 241 M N 3.810 123.444 119.600 0.057 0.000 2.404 241 M HA 0.362 4.842 4.480 -0.000 0.000 0.271 241 M C 0.436 176.799 176.300 0.105 0.000 1.128 241 M CA 0.347 55.710 55.300 0.105 0.000 0.982 241 M CB -0.403 32.283 32.600 0.143 0.000 1.445 241 M HN 0.525 nan 8.290 nan 0.000 0.495 242 L N 0.061 121.332 121.223 0.080 0.000 3.017 242 L HA 0.209 4.549 4.340 -0.000 0.000 0.255 242 L C 0.125 177.038 176.870 0.072 0.000 1.247 242 L CA -0.171 54.712 54.840 0.072 0.000 1.038 242 L CB -0.230 41.858 42.059 0.048 0.000 1.380 242 L HN -0.007 nan 8.230 nan 0.000 0.548 243 T N -0.354 114.250 114.554 0.083 0.000 2.851 243 T HA 0.068 4.418 4.350 -0.000 0.000 0.298 243 T C -0.472 174.288 174.700 0.101 0.000 0.977 243 T CA 0.120 62.270 62.100 0.083 0.000 1.126 243 T CB 0.670 69.603 68.868 0.110 0.000 0.916 243 T HN 0.030 nan 8.240 nan 0.000 0.529 244 Y N 6.366 126.670 120.300 0.007 0.000 2.359 244 Y HA 0.355 4.905 4.550 -0.000 0.000 0.334 244 Y C -1.553 174.357 175.900 0.017 0.000 1.058 244 Y CA -2.085 56.021 58.100 0.009 0.000 1.244 244 Y CB 1.093 39.553 38.460 -0.001 0.000 1.187 244 Y HN 0.451 nan 8.280 nan 0.000 0.510 245 P HA 0.116 nan 4.420 nan 0.000 0.282 245 P C -1.515 175.620 177.300 -0.275 0.000 1.327 245 P CA 0.249 62.910 63.100 -0.732 0.000 0.949 245 P CB 0.644 31.719 31.700 -1.041 0.000 1.445 246 Q N -1.821 117.871 119.800 -0.180 0.000 2.782 246 Q HA 0.351 4.691 4.340 -0.000 0.000 0.308 246 Q C -1.214 174.758 176.000 -0.047 0.000 0.883 246 Q CA -1.052 54.689 55.803 -0.102 0.000 0.755 246 Q CB -0.118 28.553 28.738 -0.112 0.000 1.454 246 Q HN -0.341 nan 8.270 nan 0.000 0.452 247 N N 0.231 118.896 118.700 -0.058 0.000 2.232 247 N HA -0.008 4.732 4.740 -0.000 0.000 0.251 247 N C -0.210 175.325 175.510 0.043 0.000 1.242 247 N CA 0.356 53.393 53.050 -0.021 0.000 0.837 247 N CB 0.595 38.926 38.487 -0.259 0.000 1.079 247 N HN 0.658 nan 8.380 nan 0.000 0.461 248 L N 0.826 122.149 121.223 0.167 0.000 2.713 248 L HA 0.393 4.733 4.340 -0.000 0.000 0.223 248 L C -0.005 176.962 176.870 0.163 0.000 1.040 248 L CA 0.910 55.841 54.840 0.151 0.000 0.894 248 L CB 0.224 42.408 42.059 0.209 0.000 1.361 248 L HN 0.689 nan 8.230 nan 0.000 0.490 249 E N -1.180 119.160 120.200 0.233 0.000 2.335 249 E HA 0.560 4.910 4.350 -0.000 0.000 0.280 249 E C -1.331 175.306 176.600 0.062 0.000 0.918 249 E CA -0.411 56.047 56.400 0.097 0.000 0.765 249 E CB 1.733 31.419 29.700 -0.024 0.000 1.218 249 E HN 0.150 nan 8.360 nan 0.000 0.425 250 G N 2.041 110.876 108.800 0.059 0.000 2.954 250 G HA2 0.485 4.445 3.960 -0.000 0.000 0.290 250 G HA3 0.485 4.445 3.960 -0.000 0.000 0.290 250 G C -1.149 173.790 174.900 0.064 0.000 1.574 250 G CA -0.206 44.885 45.100 -0.015 0.000 1.088 250 G HN 0.435 nan 8.290 nan 0.000 0.557 251 S N 1.228 116.907 115.700 -0.035 0.000 2.564 251 S HA 0.806 5.276 4.470 -0.000 0.000 0.274 251 S C -1.020 173.620 174.600 0.067 0.000 1.124 251 S CA -0.900 57.325 58.200 0.041 0.000 0.869 251 S CB 2.367 65.555 63.200 -0.021 0.000 1.105 251 S HN 0.869 nan 8.310 nan 0.000 0.472 252 I N 1.546 122.178 120.570 0.105 0.000 2.499 252 I HA 0.541 4.711 4.170 -0.000 0.000 0.288 252 I C -1.405 174.755 176.117 0.071 0.000 1.048 252 I CA -0.160 61.198 61.300 0.098 0.000 1.062 252 I CB 2.008 40.088 38.000 0.133 0.000 1.238 252 I HN 0.800 nan 8.210 nan 0.000 0.426 253 T N 8.073 122.653 114.554 0.042 0.000 2.797 253 T HA 0.611 4.961 4.350 -0.000 0.000 0.279 253 T C -0.383 174.302 174.700 -0.024 0.000 0.991 253 T CA -0.312 61.803 62.100 0.025 0.000 0.979 253 T CB 1.263 70.146 68.868 0.025 0.000 0.943 253 T HN 0.344 nan 8.240 nan 0.000 0.444 254 I N 3.960 124.494 120.570 -0.060 0.000 2.498 254 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 254 I C -0.978 175.050 176.117 -0.150 0.000 1.032 254 I CA -0.885 60.295 61.300 -0.200 0.000 1.073 254 I CB 1.804 39.566 38.000 -0.396 0.000 1.251 254 I HN 0.322 nan 8.210 nan 0.000 0.426 255 L N 5.770 126.898 121.223 -0.159 0.000 2.406 255 L HA 0.774 5.114 4.340 -0.000 0.000 0.272 255 L C 0.125 176.946 176.870 -0.081 0.000 0.980 255 L CA -0.329 54.481 54.840 -0.049 0.000 0.831 255 L CB 1.823 43.897 42.059 0.024 0.000 1.253 255 L HN 0.726 nan 8.230 nan 0.000 0.406 256 G N 0.684 109.449 108.800 -0.059 0.000 3.176 256 G HA2 0.263 4.223 3.960 -0.000 0.000 0.272 256 G HA3 0.263 4.223 3.960 -0.000 0.000 0.272 256 G C 0.307 175.097 174.900 -0.184 0.000 1.349 256 G CA -0.180 44.745 45.100 -0.292 0.000 0.953 256 G HN 0.640 nan 8.290 nan 0.000 0.559 257 E N -0.335 119.602 120.200 -0.438 0.000 2.077 257 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 257 E C 0.984 177.587 176.600 0.005 0.000 0.989 257 E CA 1.132 57.502 56.400 -0.049 0.000 0.800 257 E CB -0.079 29.558 29.700 -0.106 0.000 0.746 257 E HN 0.407 nan 8.360 nan 0.000 0.452 258 K N -0.160 120.211 120.400 -0.048 0.000 2.537 258 K HA 0.343 4.663 4.320 -0.000 0.000 0.206 258 K C -0.307 176.188 176.600 -0.176 0.000 1.041 258 K CA 0.125 56.377 56.287 -0.059 0.000 1.090 258 K CB 1.806 34.289 32.500 -0.028 0.000 0.833 258 K HN 0.127 nan 8.250 nan 0.000 0.493 259 G N -0.017 108.619 108.800 -0.274 0.000 2.655 259 G HA2 0.360 4.320 3.960 -0.000 0.000 0.296 259 G HA3 0.360 4.320 3.960 -0.000 0.000 0.296 259 G C -1.322 173.281 174.900 -0.495 0.000 1.485 259 G CA -0.374 44.233 45.100 -0.821 0.000 0.869 259 G HN -0.109 nan 8.290 nan 0.000 0.540 260 T N 0.214 114.337 114.554 -0.719 0.000 2.991 260 T HA 0.660 5.010 4.350 -0.000 0.000 0.303 260 T C -0.880 173.622 174.700 -0.331 0.000 1.015 260 T CA -0.417 61.510 62.100 -0.289 0.000 1.007 260 T CB 1.859 70.605 68.868 -0.203 0.000 1.034 260 T HN 0.696 nan 8.240 nan 0.000 0.446 261 V N 2.947 122.821 119.914 -0.066 0.000 2.888 261 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 261 V C -0.522 175.629 176.094 0.094 0.000 1.114 261 V CA -1.019 61.293 62.300 0.021 0.000 0.940 261 V CB 2.493 34.398 31.823 0.137 0.000 1.021 261 V HN 0.785 nan 8.190 nan 0.000 0.426 262 R N 2.336 122.919 120.500 0.138 0.000 2.538 262 R HA 0.773 5.113 4.340 -0.000 0.000 0.292 262 R C -2.087 174.306 176.300 0.156 0.000 1.008 262 R CA -0.401 55.768 56.100 0.115 0.000 0.896 262 R CB 2.167 32.517 30.300 0.084 0.000 1.187 262 R HN 0.522 nan 8.270 nan 0.000 0.440 263 V N 4.581 124.584 119.914 0.148 0.000 2.328 263 V HA 0.571 4.691 4.120 -0.000 0.000 0.278 263 V C 0.620 176.783 176.094 0.115 0.000 1.021 263 V CA -0.245 62.146 62.300 0.151 0.000 0.838 263 V CB 1.072 32.998 31.823 0.172 0.000 0.999 263 V HN 0.980 nan 8.190 nan 0.000 0.447 264 G N 2.691 111.547 108.800 0.093 0.000 2.990 264 G HA2 0.836 4.796 3.960 -0.000 0.000 0.208 264 G HA3 0.836 4.796 3.960 -0.000 0.000 0.208 264 G C 0.218 175.150 174.900 0.053 0.000 1.334 264 G CA -0.185 44.955 45.100 0.067 0.000 1.024 264 G HN 1.454 nan 8.290 nan 0.000 0.574 265 G N -2.353 106.466 108.800 0.032 0.000 2.725 265 G HA2 0.092 4.052 3.960 -0.000 0.000 0.220 265 G HA3 0.092 4.052 3.960 -0.000 0.000 0.220 265 G C 0.998 175.901 174.900 0.006 0.000 1.357 265 G CA 0.672 45.770 45.100 -0.002 0.000 0.866 265 G HN 1.984 nan 8.290 nan 0.000 0.548 266 V N -3.130 116.749 119.914 -0.059 0.000 3.217 266 V HA 0.542 4.661 4.120 -0.000 0.000 0.264 266 V C 1.573 177.728 176.094 0.101 0.000 1.135 266 V CA 2.253 64.544 62.300 -0.015 0.000 1.142 266 V CB -0.085 31.635 31.823 -0.172 0.000 0.754 266 V HN 2.570 nan 8.190 nan 0.000 0.484 267 A N 0.217 123.055 122.820 0.030 0.000 3.339 267 A HA 0.592 4.912 4.320 -0.000 0.000 0.219 267 A C 0.514 178.220 177.584 0.204 0.000 0.974 267 A CA 0.251 52.417 52.037 0.215 0.000 1.050 267 A CB 0.034 19.052 19.000 0.030 0.000 1.271 267 A HN 1.601 nan 8.150 nan 0.000 0.565 268 V N -0.694 119.359 119.914 0.232 0.000 5.578 268 V HA -0.323 3.797 4.120 -0.000 0.000 0.275 268 V C 0.641 176.801 176.094 0.111 0.000 0.642 268 V CA 1.783 64.194 62.300 0.185 0.000 0.613 268 V CB -2.863 29.089 31.823 0.215 0.000 0.301 268 V HN 1.057 nan 8.190 nan 0.000 0.782 269 N N -0.331 118.402 118.700 0.055 0.000 2.239 269 N HA 0.061 4.801 4.740 -0.000 0.000 0.208 269 N C 0.809 176.334 175.510 0.025 0.000 1.200 269 N CA 0.129 53.192 53.050 0.022 0.000 0.895 269 N CB 0.748 39.198 38.487 -0.062 0.000 1.085 269 N HN 0.753 nan 8.380 nan 0.000 0.500 270 R N 1.458 121.979 120.500 0.033 0.000 2.275 270 R HA 0.408 4.748 4.340 -0.000 0.000 0.326 270 R C -0.556 175.788 176.300 0.072 0.000 0.973 270 R CA -0.506 55.620 56.100 0.043 0.000 0.854 270 R CB 0.745 31.062 30.300 0.029 0.000 1.156 270 R HN 0.050 nan 8.270 nan 0.000 0.487 271 I N 4.923 125.540 120.570 0.080 0.000 2.671 271 I HA -0.105 4.065 4.170 -0.000 0.000 0.285 271 I C 0.394 176.580 176.117 0.114 0.000 1.148 271 I CA 0.446 61.819 61.300 0.122 0.000 1.386 271 I CB 0.623 38.693 38.000 0.117 0.000 1.406 271 I HN 0.574 nan 8.210 nan 0.000 0.540 272 D N 4.388 124.864 120.400 0.126 0.000 2.367 272 D HA 0.072 4.712 4.640 -0.000 0.000 0.207 272 D C 0.294 176.669 176.300 0.126 0.000 1.034 272 D CA 0.690 54.753 54.000 0.105 0.000 0.861 272 D CB 0.403 41.253 40.800 0.083 0.000 0.943 272 D HN 0.474 nan 8.370 nan 0.000 0.515 273 E N -0.381 119.927 120.200 0.181 0.000 2.354 273 E HA 0.284 4.634 4.350 -0.000 0.000 0.283 273 E C -2.047 174.723 176.600 0.283 0.000 0.938 273 E CA -0.764 55.739 56.400 0.171 0.000 0.777 273 E CB 1.448 31.208 29.700 0.099 0.000 1.222 273 E HN -0.058 nan 8.360 nan 0.000 0.423 274 W N 6.599 127.905 121.300 0.009 0.000 2.288 274 W HA 0.331 4.991 4.660 -0.000 0.000 0.287 274 W C -1.645 174.864 176.519 -0.017 0.000 1.046 274 W CA -0.386 56.977 57.345 0.030 0.000 1.074 274 W CB 0.466 29.995 29.460 0.116 0.000 0.955 274 W HN 0.527 nan 8.180 nan 0.000 0.277 275 K N 4.265 124.421 120.400 -0.407 0.000 2.443 275 K HA 0.708 5.028 4.320 -0.000 0.000 0.252 275 K C -1.262 174.877 176.600 -0.769 0.000 0.933 275 K CA -0.706 55.391 56.287 -0.317 0.000 0.792 275 K CB 2.551 34.941 32.500 -0.182 0.000 1.185 275 K HN 0.028 nan 8.250 nan 0.000 0.425 276 F N -0.192 119.602 119.950 -0.260 0.000 2.603 276 F HA 0.384 4.911 4.527 -0.000 0.000 0.317 276 F C 1.087 176.798 175.800 -0.147 0.000 1.066 276 F CA -0.886 56.944 58.000 -0.284 0.000 0.941 276 F CB 1.885 40.667 39.000 -0.364 0.000 1.291 276 F HN 0.666 nan 8.300 nan 0.000 0.472 277 A N 0.432 123.281 122.820 0.048 0.000 1.898 277 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 277 A C 0.588 178.198 177.584 0.044 0.000 1.181 277 A CA 1.131 53.185 52.037 0.029 0.000 0.620 277 A CB -0.581 18.424 19.000 0.008 0.000 0.819 277 A HN 0.685 nan 8.150 nan 0.000 0.442 278 E N 0.928 121.156 120.200 0.046 0.000 2.133 278 E HA 0.502 4.852 4.350 -0.000 0.000 0.274 278 E C -2.913 173.708 176.600 0.033 0.000 0.930 278 E CA -2.308 54.109 56.400 0.029 0.000 0.770 278 E CB 0.889 30.592 29.700 0.005 0.000 1.104 278 E HN 0.070 nan 8.360 nan 0.000 0.403 279 P HA 0.049 nan 4.420 nan 0.000 0.271 279 P C -0.810 176.562 177.300 0.121 0.000 1.238 279 P CA 0.165 63.315 63.100 0.083 0.000 0.794 279 P CB 0.387 32.125 31.700 0.062 0.000 0.959 280 H N -0.559 118.505 119.070 -0.010 0.000 3.120 280 H HA 0.050 4.606 4.556 -0.000 0.000 0.314 280 H C -2.161 173.162 175.328 -0.008 0.000 1.151 280 H CA -1.022 55.009 56.048 -0.029 0.000 1.404 280 H CB 1.719 31.433 29.762 -0.080 0.000 2.031 280 H HN 0.159 nan 8.280 nan 0.000 0.513 281 P HA -0.247 nan 4.420 nan 0.000 0.226 281 P C 0.865 178.151 177.300 -0.023 0.000 1.154 281 P CA 1.799 64.774 63.100 -0.208 0.000 0.918 281 P CB 0.296 31.780 31.700 -0.361 0.000 0.790 282 D N -1.375 119.132 120.400 0.179 0.000 2.264 282 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 282 D C 1.413 177.696 176.300 -0.029 0.000 0.966 282 D CA 0.790 54.866 54.000 0.127 0.000 0.864 282 D CB -0.705 40.234 40.800 0.233 0.000 0.933 282 D HN 0.224 nan 8.370 nan 0.000 0.499 283 D N 0.881 121.328 120.400 0.077 0.000 2.182 283 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 283 D C 1.132 177.360 176.300 -0.119 0.000 0.986 283 D CA 0.908 54.929 54.000 0.034 0.000 0.847 283 D CB -0.117 40.798 40.800 0.191 0.000 0.942 283 D HN 0.346 nan 8.370 nan 0.000 0.467 284 D N -0.018 120.336 120.400 -0.076 0.000 2.340 284 D HA 0.001 4.641 4.640 -0.000 0.000 0.220 284 D C 1.061 177.300 176.300 -0.103 0.000 1.039 284 D CA 0.222 54.176 54.000 -0.076 0.000 0.866 284 D CB 0.286 41.060 40.800 -0.043 0.000 0.913 284 D HN 0.230 nan 8.370 nan 0.000 0.523 285 K N 0.480 120.792 120.400 -0.147 0.000 2.397 285 K HA 0.228 4.548 4.320 -0.000 0.000 0.202 285 K C 1.651 178.148 176.600 -0.171 0.000 1.022 285 K CA -0.190 56.020 56.287 -0.128 0.000 1.141 285 K CB 0.816 33.258 32.500 -0.096 0.000 0.857 285 K HN 0.111 nan 8.250 nan 0.000 0.514 286 I N 0.736 121.159 120.570 -0.246 0.000 2.142 286 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 286 I C 2.566 178.619 176.117 -0.107 0.000 1.078 286 I CA 1.288 62.435 61.300 -0.256 0.000 1.343 286 I CB -0.141 37.673 38.000 -0.310 0.000 1.046 286 I HN 0.149 nan 8.210 nan 0.000 0.405 287 R N 0.808 121.268 120.500 -0.068 0.000 2.152 287 R HA -0.219 4.121 4.340 -0.000 0.000 0.232 287 R C 2.166 178.483 176.300 0.029 0.000 1.117 287 R CA 1.798 57.890 56.100 -0.012 0.000 0.981 287 R CB -0.054 30.236 30.300 -0.016 0.000 0.870 287 R HN 0.567 nan 8.270 nan 0.000 0.451 288 E N -0.466 119.739 120.200 0.008 0.000 2.060 288 E HA -0.049 4.301 4.350 -0.000 0.000 0.189 288 E C 1.847 178.495 176.600 0.079 0.000 0.974 288 E CA 0.879 57.313 56.400 0.057 0.000 0.808 288 E CB -0.226 29.486 29.700 0.019 0.000 0.768 288 E HN 0.220 nan 8.360 nan 0.000 0.453 289 A N 1.558 124.388 122.820 0.016 0.000 1.892 289 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 289 A C 2.056 179.661 177.584 0.035 0.000 1.188 289 A CA 2.010 54.057 52.037 0.017 0.000 0.631 289 A CB -1.067 17.915 19.000 -0.029 0.000 0.822 289 A HN 0.331 nan 8.150 nan 0.000 0.447 290 N N -1.341 117.376 118.700 0.029 0.000 2.037 290 N HA -0.236 4.504 4.740 -0.000 0.000 0.196 290 N C 1.562 177.105 175.510 0.055 0.000 1.034 290 N CA 2.020 55.096 53.050 0.043 0.000 0.861 290 N CB -0.753 37.761 38.487 0.044 0.000 1.039 290 N HN 0.713 nan 8.380 nan 0.000 0.427 291 Y N 1.337 121.640 120.300 0.004 0.000 2.114 291 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 291 Y C 2.512 178.427 175.900 0.025 0.000 1.143 291 Y CA 1.879 59.986 58.100 0.011 0.000 1.135 291 Y CB -0.246 38.215 38.460 0.002 0.000 0.980 291 Y HN 0.152 nan 8.280 nan 0.000 0.499 292 E N -0.867 119.299 120.200 -0.056 0.000 2.077 292 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 292 E C 2.024 178.563 176.600 -0.101 0.000 0.989 292 E CA 1.838 58.182 56.400 -0.094 0.000 0.800 292 E CB -0.107 29.622 29.700 0.048 0.000 0.746 292 E HN 0.483 nan 8.360 nan 0.000 0.452 293 T N -0.072 114.460 114.554 -0.036 0.000 2.821 293 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 293 T C 1.835 176.534 174.700 -0.001 0.000 1.046 293 T CA 1.609 63.714 62.100 0.008 0.000 1.139 293 T CB -0.327 68.567 68.868 0.042 0.000 0.871 293 T HN 0.216 nan 8.240 nan 0.000 0.454 294 T N 2.154 116.668 114.554 -0.067 0.000 2.746 294 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 294 T C 2.456 177.120 174.700 -0.060 0.000 1.039 294 T CA 1.605 63.673 62.100 -0.053 0.000 1.142 294 T CB -0.512 68.301 68.868 -0.092 0.000 0.866 294 T HN 0.611 nan 8.240 nan 0.000 0.444 295 S N 1.870 117.414 115.700 -0.260 0.000 2.400 295 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 295 S C 2.095 176.649 174.600 -0.077 0.000 1.025 295 S CA 1.234 59.284 58.200 -0.250 0.000 0.993 295 S CB -0.805 62.129 63.200 -0.443 0.000 0.808 295 S HN 0.516 nan 8.310 nan 0.000 0.478 296 V N -2.310 117.598 119.914 -0.010 0.000 3.647 296 V HA 0.381 4.501 4.120 -0.000 0.000 0.279 296 V C 0.662 176.862 176.094 0.177 0.000 1.314 296 V CA -0.865 61.484 62.300 0.082 0.000 1.125 296 V CB -1.784 30.092 31.823 0.088 0.000 0.907 296 V HN 0.442 nan 8.190 nan 0.000 0.434 297 Y N 2.829 123.156 120.300 0.045 0.000 2.969 297 Y HA 0.347 4.897 4.550 -0.000 0.000 0.339 297 Y C 1.409 177.396 175.900 0.146 0.000 1.272 297 Y CA 1.112 59.245 58.100 0.054 0.000 1.577 297 Y CB -0.019 38.450 38.460 0.016 0.000 1.234 297 Y HN 0.642 nan 8.280 nan 0.000 0.590 298 G N 4.155 112.633 108.800 -0.538 0.000 2.195 298 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 298 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 298 G C 0.027 174.511 174.900 -0.692 0.000 0.984 298 G CA 0.195 44.927 45.100 -0.613 0.000 0.633 298 G HN 0.709 nan 8.290 nan 0.000 0.525 299 F N 0.438 120.314 119.950 -0.124 0.000 2.470 299 F HA 0.457 4.984 4.527 -0.000 0.000 0.383 299 F C 1.528 177.348 175.800 0.033 0.000 1.510 299 F CA 0.042 58.010 58.000 -0.053 0.000 1.085 299 F CB 0.693 39.647 39.000 -0.077 0.000 1.466 299 F HN 0.148 nan 8.300 nan 0.000 0.517 300 G N -1.169 107.717 108.800 0.144 0.000 2.744 300 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.211 300 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.211 300 G C 1.192 176.181 174.900 0.149 0.000 1.143 300 G CA 0.446 45.620 45.100 0.123 0.000 0.788 300 G HN 0.376 nan 8.290 nan 0.000 0.534 301 H N 1.641 120.727 119.070 0.028 0.000 2.319 301 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 301 H C 0.288 175.759 175.328 0.239 0.000 1.092 301 H CA 1.698 57.796 56.048 0.083 0.000 1.302 301 H CB -1.136 28.598 29.762 -0.046 0.000 1.373 301 H HN 0.291 nan 8.280 nan 0.000 0.497 302 P HA -0.172 nan 4.420 nan 0.000 0.216 302 P C 1.450 178.953 177.300 0.337 0.000 1.157 302 P CA 1.115 64.401 63.100 0.309 0.000 0.880 302 P CB -0.005 31.811 31.700 0.193 0.000 0.791 303 L N -2.596 118.763 121.223 0.226 0.000 2.131 303 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 303 L C 2.488 179.429 176.870 0.117 0.000 1.092 303 L CA 1.679 56.620 54.840 0.170 0.000 0.759 303 L CB -1.418 40.715 42.059 0.123 0.000 0.903 303 L HN -0.023 nan 8.230 nan 0.000 0.435 304 Y N -1.842 118.448 120.300 -0.016 0.000 2.200 304 Y HA -0.323 4.227 4.550 -0.000 0.000 0.290 304 Y C 2.357 178.123 175.900 -0.223 0.000 1.137 304 Y CA 1.628 59.636 58.100 -0.153 0.000 1.163 304 Y CB -0.261 38.033 38.460 -0.277 0.000 0.988 304 Y HN 0.134 nan 8.280 nan 0.000 0.518 305 Y N 0.305 120.492 120.300 -0.188 0.000 2.242 305 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 305 Y C 2.342 177.926 175.900 -0.528 0.000 1.137 305 Y CA 1.764 59.634 58.100 -0.383 0.000 1.181 305 Y CB -0.643 37.627 38.460 -0.318 0.000 0.989 305 Y HN 0.241 nan 8.280 nan 0.000 0.527 306 D N 0.130 120.324 120.400 -0.344 0.000 2.133 306 D HA -0.274 4.366 4.640 -0.000 0.000 0.192 306 D C 2.049 178.216 176.300 -0.221 0.000 1.001 306 D CA 1.827 55.654 54.000 -0.288 0.000 0.844 306 D CB -0.449 40.373 40.800 0.037 0.000 0.944 306 D HN 0.340 nan 8.370 nan 0.000 0.447 307 N N -0.330 118.214 118.700 -0.261 0.000 2.188 307 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 307 N C 1.945 177.255 175.510 -0.334 0.000 1.018 307 N CA 1.093 53.989 53.050 -0.258 0.000 0.858 307 N CB -0.045 38.298 38.487 -0.241 0.000 0.989 307 N HN 0.141 nan 8.380 nan 0.000 0.426 308 V N 1.988 121.542 119.914 -0.601 0.000 2.252 308 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 308 V C 2.524 178.407 176.094 -0.351 0.000 1.056 308 V CA 1.593 63.431 62.300 -0.771 0.000 1.022 308 V CB -0.415 30.836 31.823 -0.953 0.000 0.641 308 V HN 0.292 nan 8.190 nan 0.000 0.445 309 I N 0.283 120.732 120.570 -0.202 0.000 2.142 309 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 309 I C 2.375 178.452 176.117 -0.068 0.000 1.078 309 I CA 1.679 62.938 61.300 -0.068 0.000 1.343 309 I CB -0.641 37.329 38.000 -0.049 0.000 1.046 309 I HN 0.369 nan 8.210 nan 0.000 0.405 310 N N 0.436 119.089 118.700 -0.077 0.000 2.137 310 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 310 N C 1.895 177.389 175.510 -0.026 0.000 1.017 310 N CA 1.613 54.641 53.050 -0.037 0.000 0.859 310 N CB -1.028 37.442 38.487 -0.028 0.000 1.002 310 N HN 0.477 nan 8.380 nan 0.000 0.428 311 C N 0.830 120.111 119.300 -0.032 0.000 2.453 311 C HA 0.094 4.554 4.460 -0.000 0.000 0.277 311 C C 2.537 177.538 174.990 0.020 0.000 1.262 311 C CA 0.152 59.191 59.018 0.036 0.000 1.718 311 C CB -1.167 26.685 27.740 0.186 0.000 2.031 311 C HN 0.405 nan 8.230 nan 0.000 0.480 312 L N 0.157 121.369 121.223 -0.019 0.000 2.362 312 L HA -0.010 4.330 4.340 -0.000 0.000 0.219 312 L C 2.738 179.571 176.870 -0.062 0.000 1.134 312 L CA 1.032 55.824 54.840 -0.081 0.000 0.807 312 L CB -0.552 41.417 42.059 -0.151 0.000 0.927 312 L HN 0.377 nan 8.230 nan 0.000 0.447 313 R N -0.417 120.062 120.500 -0.035 0.000 2.297 313 R HA 0.067 4.407 4.340 -0.000 0.000 0.197 313 R C 1.278 177.572 176.300 -0.009 0.000 0.943 313 R CA 0.631 56.720 56.100 -0.018 0.000 1.038 313 R CB 0.256 30.552 30.300 -0.008 0.000 0.957 313 R HN 0.417 nan 8.270 nan 0.000 0.484 314 G N 0.397 109.193 108.800 -0.008 0.000 2.168 314 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.197 314 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.197 314 G C 0.231 175.133 174.900 0.003 0.000 0.997 314 G CA 0.195 45.294 45.100 -0.001 0.000 0.658 314 G HN 0.254 nan 8.290 nan 0.000 0.513 315 D N -0.199 120.203 120.400 0.003 0.000 2.120 315 D HA 0.191 4.831 4.640 -0.000 0.000 0.202 315 D C 1.505 177.811 176.300 0.010 0.000 0.972 315 D CA 1.620 55.624 54.000 0.007 0.000 0.837 315 D CB 0.084 40.887 40.800 0.005 0.000 0.989 315 D HN 0.556 nan 8.370 nan 0.000 0.469 316 C N -0.178 119.129 119.300 0.012 0.000 2.913 316 C HA 0.576 5.035 4.460 -0.000 0.000 0.322 316 C C 0.145 175.148 174.990 0.022 0.000 1.292 316 C CA -1.194 57.834 59.018 0.017 0.000 1.649 316 C CB 1.845 29.594 27.740 0.016 0.000 2.139 316 C HN 0.079 nan 8.230 nan 0.000 0.475 317 E N 1.219 121.431 120.200 0.021 0.000 2.349 317 E HA 0.364 4.714 4.350 -0.000 0.000 0.262 317 E C -2.317 174.306 176.600 0.038 0.000 1.088 317 E CA -0.875 55.534 56.400 0.015 0.000 0.899 317 E CB 0.505 30.207 29.700 0.003 0.000 1.044 317 E HN 0.429 nan 8.360 nan 0.000 0.420 318 P HA -0.068 nan 4.420 nan 0.000 0.268 318 P C 0.074 177.419 177.300 0.076 0.000 1.208 318 P CA 0.204 63.376 63.100 0.121 0.000 0.777 318 P CB 0.633 32.286 31.700 -0.077 0.000 0.875 319 E N 0.203 120.447 120.200 0.073 0.000 2.170 319 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 319 E C -0.256 176.384 176.600 0.068 0.000 0.981 319 E CA 1.060 57.492 56.400 0.055 0.000 0.830 319 E CB 0.317 30.031 29.700 0.024 0.000 0.775 319 E HN 0.369 nan 8.360 nan 0.000 0.470 320 T N 2.616 117.238 114.554 0.114 0.000 3.209 320 T HA 0.071 4.421 4.350 -0.000 0.000 0.366 320 T C -0.764 174.005 174.700 0.114 0.000 1.293 320 T CA -0.766 61.393 62.100 0.100 0.000 1.417 320 T CB 0.745 69.680 68.868 0.110 0.000 1.013 320 T HN 0.182 nan 8.240 nan 0.000 0.572 321 D N 1.088 121.502 120.400 0.023 0.000 2.478 321 D HA 0.292 4.932 4.640 -0.000 0.000 0.269 321 D C 1.751 178.029 176.300 -0.037 0.000 1.232 321 D CA -0.287 53.674 54.000 -0.065 0.000 1.059 321 D CB 0.239 40.954 40.800 -0.140 0.000 1.104 321 D HN 0.319 nan 8.370 nan 0.000 0.566 322 G N -0.087 108.667 108.800 -0.076 0.000 2.556 322 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.220 322 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.220 322 G C 1.590 176.468 174.900 -0.036 0.000 1.156 322 G CA 0.913 45.979 45.100 -0.057 0.000 0.766 322 G HN 0.554 nan 8.290 nan 0.000 0.583 323 R N -0.106 120.375 120.500 -0.031 0.000 2.237 323 R HA 0.044 4.384 4.340 -0.000 0.000 0.219 323 R C 2.300 178.618 176.300 0.030 0.000 1.080 323 R CA 0.787 56.885 56.100 -0.003 0.000 0.995 323 R CB 0.005 30.305 30.300 -0.001 0.000 0.875 323 R HN 0.312 nan 8.270 nan 0.000 0.462 324 E N -0.336 119.879 120.200 0.026 0.000 2.140 324 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 324 E C 2.038 178.660 176.600 0.038 0.000 0.973 324 E CA 0.836 57.262 56.400 0.044 0.000 0.829 324 E CB -0.059 29.661 29.700 0.034 0.000 0.781 324 E HN 0.396 nan 8.360 nan 0.000 0.466 325 G N 1.914 110.727 108.800 0.023 0.000 2.491 325 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 325 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 325 G C 1.701 176.632 174.900 0.052 0.000 1.180 325 G CA 0.649 45.763 45.100 0.022 0.000 0.774 325 G HN 0.189 nan 8.290 nan 0.000 0.562 326 L N -0.193 121.068 121.223 0.064 0.000 2.189 326 L HA -0.176 4.163 4.340 -0.000 0.000 0.214 326 L C 3.008 180.005 176.870 0.212 0.000 1.097 326 L CA 1.210 56.144 54.840 0.157 0.000 0.764 326 L CB -0.296 41.833 42.059 0.118 0.000 0.900 326 L HN 0.253 nan 8.230 nan 0.000 0.436 327 Q N -0.323 119.551 119.800 0.123 0.000 2.123 327 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 327 Q C 2.471 178.505 176.000 0.057 0.000 0.966 327 Q CA 1.833 57.692 55.803 0.093 0.000 0.845 327 Q CB -0.028 28.763 28.738 0.089 0.000 0.907 327 Q HN 0.555 nan 8.270 nan 0.000 0.439 328 S N -1.022 114.711 115.700 0.056 0.000 2.446 328 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 328 S C 1.721 176.328 174.600 0.011 0.000 1.016 328 S CA 0.549 58.765 58.200 0.026 0.000 0.943 328 S CB -0.190 63.023 63.200 0.020 0.000 0.786 328 S HN 0.371 nan 8.310 nan 0.000 0.508 329 L N 1.700 122.963 121.223 0.066 0.000 2.240 329 L HA 0.393 4.733 4.340 -0.000 0.000 0.211 329 L C 2.491 179.400 176.870 0.065 0.000 1.106 329 L CA 1.337 56.232 54.840 0.092 0.000 0.793 329 L CB -0.919 41.245 42.059 0.174 0.000 0.927 329 L HN 0.329 nan 8.230 nan 0.000 0.446 330 A N -0.188 122.648 122.820 0.027 0.000 1.877 330 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 330 A C 2.255 179.631 177.584 -0.347 0.000 1.186 330 A CA 1.941 53.723 52.037 -0.424 0.000 0.620 330 A CB -0.852 17.885 19.000 -0.439 0.000 0.822 330 A HN 0.474 nan 8.150 nan 0.000 0.443 331 L N -0.621 120.476 121.223 -0.211 0.000 2.056 331 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 331 L C 2.595 179.324 176.870 -0.234 0.000 1.078 331 L CA 0.999 55.711 54.840 -0.213 0.000 0.749 331 L CB -0.499 41.476 42.059 -0.140 0.000 0.901 331 L HN 0.403 nan 8.230 nan 0.000 0.433 332 L N -0.712 120.385 121.223 -0.209 0.000 2.013 332 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 332 L C 2.568 179.183 176.870 -0.425 0.000 1.073 332 L CA 1.780 56.425 54.840 -0.326 0.000 0.753 332 L CB -0.864 41.017 42.059 -0.296 0.000 0.890 332 L HN 0.296 nan 8.230 nan 0.000 0.432 333 T N -0.403 113.963 114.554 -0.313 0.000 2.821 333 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 333 T C 1.930 176.472 174.700 -0.263 0.000 1.046 333 T CA 1.200 63.145 62.100 -0.259 0.000 1.139 333 T CB -0.169 68.534 68.868 -0.276 0.000 0.871 333 T HN 0.454 nan 8.240 nan 0.000 0.454 334 A N 0.712 123.344 122.820 -0.313 0.000 1.968 334 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 334 A C 2.229 179.656 177.584 -0.262 0.000 1.169 334 A CA 0.815 52.676 52.037 -0.292 0.000 0.638 334 A CB -0.611 18.208 19.000 -0.302 0.000 0.812 334 A HN 0.476 nan 8.150 nan 0.000 0.446 335 I N -1.584 118.823 120.570 -0.272 0.000 2.163 335 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 335 I C 2.329 178.370 176.117 -0.126 0.000 1.081 335 I CA 1.209 62.340 61.300 -0.283 0.000 1.353 335 I CB -0.329 37.413 38.000 -0.431 0.000 1.054 335 I HN 0.346 nan 8.210 nan 0.000 0.407 336 Y N 1.120 121.249 120.300 -0.284 0.000 2.165 336 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 336 Y C 2.712 178.454 175.900 -0.263 0.000 1.155 336 Y CA 1.199 59.161 58.100 -0.230 0.000 1.164 336 Y CB -0.837 37.527 38.460 -0.159 0.000 0.978 336 Y HN 0.127 nan 8.280 nan 0.000 0.513 337 R N -1.084 119.356 120.500 -0.099 0.000 2.090 337 R HA -0.104 4.236 4.340 -0.000 0.000 0.228 337 R C 2.631 178.799 176.300 -0.221 0.000 1.110 337 R CA 1.259 57.260 56.100 -0.165 0.000 0.973 337 R CB -0.503 29.695 30.300 -0.171 0.000 0.869 337 R HN 0.195 nan 8.270 nan 0.000 0.440 338 S N 0.698 116.232 115.700 -0.277 0.000 2.368 338 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 338 S C 2.111 176.429 174.600 -0.469 0.000 1.029 338 S CA 1.094 59.043 58.200 -0.418 0.000 0.988 338 S CB -0.061 62.824 63.200 -0.525 0.000 0.838 338 S HN 0.396 nan 8.310 nan 0.000 0.462 339 A N 1.906 124.507 122.820 -0.365 0.000 1.940 339 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 339 A C 2.265 179.729 177.584 -0.200 0.000 1.176 339 A CA 1.731 53.605 52.037 -0.272 0.000 0.631 339 A CB -0.731 18.163 19.000 -0.177 0.000 0.814 339 A HN 0.644 nan 8.150 nan 0.000 0.446 340 R N -0.912 119.462 120.500 -0.209 0.000 2.075 340 R HA -0.096 4.244 4.340 -0.000 0.000 0.226 340 R C 0.750 176.965 176.300 -0.141 0.000 1.114 340 R CA 1.607 57.600 56.100 -0.179 0.000 0.972 340 R CB -0.123 30.040 30.300 -0.230 0.000 0.869 340 R HN 0.383 nan 8.270 nan 0.000 0.437 341 D N -1.200 119.103 120.400 -0.161 0.000 2.366 341 D HA 0.121 4.761 4.640 -0.000 0.000 0.205 341 D C 0.760 177.003 176.300 -0.096 0.000 1.022 341 D CA 1.048 54.976 54.000 -0.121 0.000 0.868 341 D CB 0.763 41.486 40.800 -0.127 0.000 0.953 341 D HN 0.488 nan 8.370 nan 0.000 0.514 342 G N 0.899 109.615 108.800 -0.139 0.000 2.160 342 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.244 342 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.244 342 G C 0.322 175.258 174.900 0.061 0.000 1.022 342 G CA 0.591 45.671 45.100 -0.034 0.000 0.741 342 G HN 0.462 nan 8.290 nan 0.000 0.508 343 V N -4.011 115.860 119.914 -0.071 0.000 3.130 343 V HA 0.821 4.941 4.120 -0.000 0.000 0.310 343 V C 0.583 176.653 176.094 -0.039 0.000 1.158 343 V CA -1.411 60.920 62.300 0.052 0.000 1.029 343 V CB 1.663 33.481 31.823 -0.009 0.000 1.057 343 V HN 0.523 nan 8.190 nan 0.000 0.436 344 R N 1.777 122.354 120.500 0.129 0.000 2.522 344 R HA 0.344 4.684 4.340 -0.000 0.000 0.284 344 R C -0.843 175.409 176.300 -0.080 0.000 1.032 344 R CA -0.162 55.969 56.100 0.051 0.000 1.049 344 R CB 0.258 30.593 30.300 0.059 0.000 0.956 344 R HN 0.720 nan 8.270 nan 0.000 0.422 345 I N 7.717 128.200 120.570 -0.145 0.000 2.362 345 I HA 0.358 4.528 4.170 -0.000 0.000 0.289 345 I C -2.083 173.940 176.117 -0.157 0.000 0.994 345 I CA -2.657 58.547 61.300 -0.160 0.000 1.158 345 I CB 1.398 39.272 38.000 -0.210 0.000 1.315 345 I HN 0.585 nan 8.210 nan 0.000 0.451 346 P HA 0.567 nan 4.420 nan 0.000 0.283 346 P C -1.050 176.155 177.300 -0.158 0.000 1.271 346 P CA -0.649 62.371 63.100 -0.132 0.000 0.841 346 P CB 2.028 33.670 31.700 -0.095 0.000 1.122 347 L N 1.156 122.287 121.223 -0.153 0.000 2.319 347 L HA 0.592 4.931 4.340 -0.000 0.000 0.267 347 L C -1.895 174.911 176.870 -0.106 0.000 1.011 347 L CA -1.998 52.748 54.840 -0.158 0.000 0.818 347 L CB 1.436 43.387 42.059 -0.180 0.000 1.316 347 L HN 0.326 nan 8.230 nan 0.000 0.432 348 P HA 0.287 nan 4.420 nan 0.000 0.279 348 P C -0.960 176.267 177.300 -0.121 0.000 1.252 348 P CA -0.524 62.517 63.100 -0.099 0.000 0.811 348 P CB 0.943 32.628 31.700 -0.026 0.000 1.035 349 L N 1.362 122.459 121.223 -0.210 0.000 2.436 349 L HA 0.167 4.507 4.340 -0.000 0.000 0.265 349 L C 1.209 178.072 176.870 -0.011 0.000 1.168 349 L CA -0.317 54.373 54.840 -0.251 0.000 0.815 349 L CB 0.016 41.645 42.059 -0.717 0.000 1.109 349 L HN 0.369 nan 8.230 nan 0.000 0.462 350 D N 0.000 120.414 120.400 0.024 0.000 6.856 350 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 350 D CA 0.000 54.073 54.000 0.121 0.000 0.868 350 D CB 0.000 40.840 40.800 0.067 0.000 0.688 350 D HN 0.000 nan 8.370 nan 0.000 0.683